| 1 | M | 35 | Very low | 33 | Very low | 240 Ų | 240 | 138.9 Ų | 138.9 | 100% | 1.182 | 76% | 0.764 | S | S | * | * | | | | 0 | 96.8 | 0 | -65.4 | 169.8 | 177.8 | 0 | 0 | 104.6 | | |
| 2 | A | 35.3 | Very low | 33.1 | Very low | 89 Ų | 89 | 142.8 Ų | 142.8 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | | | | 67.1 | 128.7 | 55.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 3 | A | 35.1 | Very low | 33.4 | Very low | 87 Ų | 87 | 142.5 Ų | 142.5 | 72% | 0.719 | 76% | 0.755 | S | S | * | * | | | cis | -157.9 | 161.4 | 9 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 4 | D | 31.4 | Very low | 33.6 | Very low | 142 Ų | 142 | 136.7 Ų | 136.7 | 76% | 0.759 | 73% | 0.725 | S | S | * | * | | | cis | -165 | 156.7 | -20.2 | -93.3 | -27 | 0 | 0 | 0 | 109.5 | | |
| 5 | A | 33.5 | Very low | 33.9 | Very low | 85 Ų | 85 | 135.9 Ų | 135.9 | 70% | 0.702 | 71% | 0.713 | S | S | * | * | | | trans | 52 | 144.3 | 153.4 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 6 | Q | 32.3 | Very low | 34.7 | Very low | 152 Ų | 152 | 134.4 Ų | 134.4 | 71% | 0.71 | 71% | 0.714 | S | S | * | * | | | cis | 64 | 145.3 | 36.9 | -49.4 | -161.6 | -87.2 | 0 | 0 | 112.3 | | |
| 7 | D | 32.4 | Very low | 34.9 | Very low | 141 Ų | 141 | 131.2 Ų | 131.2 | 75% | 0.754 | 72% | 0.72 | S | S | * | * | | | cis | -113.1 | 169.6 | 15.3 | -54.9 | -56.9 | 0 | 0 | 0 | 111.5 | | |
| 8 | F | 31.4 | Very low | 34.6 | Very low | 165 Ų | 165 | 129 Ų | 129 | 72% | 0.724 | 72% | 0.722 | S | S | * | * | | | cis | 74.7 | 144.4 | 34.1 | -84.5 | -83.2 | 0 | 0 | 0 | 116.5 | | |
| 9 | D | 31.7 | Very low | 34.9 | Very low | 133 Ų | 133 | 130.1 Ų | 130.1 | 71% | 0.711 | 72% | 0.721 | S | S | * | * | | | trans | 69.7 | 140.5 | 166.5 | -65.7 | 5.3 | 0 | 0 | 0 | 119.7 | | |
| 10 | F | 29.7 | Very low | 35 | Very low | 168 Ų | 168 | 134 Ų | 134 | 74% | 0.737 | 72% | 0.724 | S | S | * | * | | | cis | -158.5 | 179.2 | -12.9 | -143.3 | -121.8 | 0 | 0 | 0 | 111.5 | | |
| 11 | D | 35.4 | Very low | 35 | Very low | 126 Ų | 126 | 131.7 Ų | 131.7 | 67% | 0.674 | 72% | 0.718 | S | S | * | * | | | trans | -21.5 | 158 | 172.8 | -63.3 | -10.6 | 0 | 0 | 0 | 122.8 | | |
| 12 | E | 34 | Very low | 35.3 | Very low | 186 Ų | 186 | 131 Ų | 131 | 87% | 0.869 | 70% | 0.702 | S | S | * | * | | | | 161.6 | 174.1 | 114.2 | -162.9 | 156.5 | -146.1 | 0 | 0 | 112.3 | | |
| 13 | Y | 37.1 | Very low | 35.5 | Very low | 138 Ų | 138 | 137.9 Ų | 137.9 | 54% | 0.541 | 71% | 0.709 | S | S | . | * | | | trans | -119.3 | -165.7 | -169.7 | -46.8 | 155.5 | 0 | 0 | 0 | 112.8 | Q602 G603 | Y13-Q602 HydrophobicContact CD1-CB 3.9Å; Y13-Q602 HydrophobicContact CD2-CB 4.36Å; Y13-Q602 VanDerWaalsContact CE1-C 3.41Å; Y13-Q602 HydrophobicContact CE1-CB 4.2Å; Y13-Q602 WeakPolarHBondContact CE1-O 3.4Å; Y13-Q602 HydrophobicContact CG-CB 4.01Å; Y13-G603 VanDerWaalsContact CZ-N 3.27Å; Y13-G603 PolarHBondContact OH-N 3.08Å; Y13-G603 PolarHBondContact OH-O 3.1Å |
| 14 | D | 35.4 | Very low | 35.8 | Very low | 62 Ų | 62 | 143.7 Ų | 143.7 | 33% | 0.332 | 71% | 0.712 | S | S | . | * | | | cis | -162.4 | -167.9 | 6.3 | -141.2 | -52.3 | 0 | 0 | 0 | 114.9 | Q601 Q602 | D14-Q601 HydrophobicContact CB-CG 4.22Å; D14-Q601 VanDerWaalsContact CG-CG 3.43Å; D14-Q601 VanDerWaalsContact CG-NE2 3.26Å; D14-Q601 PolarHBondContact OD1-NE2 2.64Å; D14-Q601 PolarHBondContact OD1-OE1 2.81Å; D14-Q601 WeakPolarHBondContact OD2-CB 3.32Å; D14-Q601 VanDerWaalsContact OD2-CD 3.22Å; D14-Q601 WeakPolarHBondContact OD2-CG 3.39Å; D14-Q602 VanDerWaalsContact OD1-CD 3.27Å; D14-Q602 WeakPolarHBondContact OD1-CG 3.42Å; D14-Q602 PolarHBondContact OD1-NE2 3.39Å; D14-Q602 WeakPolarHBondContact OD2-CB 3.45Å; D14-Q602 PolarHBondContact OD2-N 3.14Å |
| 15 | K | 39.5 | Very low | 36.2 | Very low | 124 Ų | 124 | 147.2 Ų | 147.2 | 54% | 0.539 | 72% | 0.715 | S | S | . | * | | | trans | -72.7 | 171.7 | 167.6 | -65.3 | 154.2 | -174.8 | 167.4 | 0 | 112.2 | Q601 Q602 | K15-Q601 PolarHBondContact NZ-O 3.31Å; K15-Q601 PolarHBondContact O-NE2 2.89Å; K15-Q602 HydrophobicContact CD-CG 4.27Å |
| 16 | P | 46.3 | Very low | 36.1 | Very low | 113 Ų | 113 | 146.4 Ų | 146.4 | 73% | 0.734 | 72% | 0.716 | S | S | * | * | | | cis | -131.5 | -171.2 | 12.5 | 42.8 | -25.6 | 0 | 0 | 0 | 114.5 | | |
| 17 | G | 37.1 | Very low | 35.9 | Very low | 79 Ų | 79 | 142 Ų | 142 | 81% | 0.814 | 71% | 0.71 | S | S | * | * | | | cis | 131.8 | 89.7 | -9.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 18 | A | 30.9 | Very low | 35.8 | Very low | 92 Ų | 92 | 143.3 Ų | 143.3 | 76% | 0.76 | 71% | 0.712 | S | S | * | * | | | trans | -156.4 | 137.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 19 | E | 39.1 | Very low | 36 | Very low | 150 Ų | 150 | 142.8 Ų | 142.8 | 70% | 0.701 | 72% | 0.717 | S | S | * | * | | | | 65.2 | 142.5 | 66 | -67.9 | -142.5 | 127.5 | 0 | 0 | 114.1 | | |
| 20 | R | 37 | Very low | 36.3 | Very low | 208 Ų | 208 | 140.8 Ų | 140.8 | 79% | 0.785 | 72% | 0.719 | S | S | * | * | | | cis | -161 | -179.2 | 6.3 | -112.7 | 176.9 | -150.2 | -129.4 | -12.8 | 107.7 | | |
| 21 | S | 34.6 | Very low | 37.1 | Very low | 85 Ų | 85 | 140.9 Ų | 140.9 | 59% | 0.594 | 73% | 0.726 | S | S | * | * | | | cis | -173.4 | 130.3 | -7.6 | 147.2 | 0 | 0 | 0 | 0 | 113 | | |
| 22 | R | 41.2 | Very low | 37.3 | Very low | 226 Ų | 226 | 144 Ų | 144 | 85% | 0.853 | 74% | 0.736 | S | S | * | * | | | trans | 60.5 | 137.7 | 146.7 | -63.7 | 170.9 | 154.1 | -169.8 | -5.3 | 124.6 | | |
| 23 | R | 40.3 | Very low | 37.6 | Very low | 234 Ų | 234 | 141 Ų | 141 | 88% | 0.883 | 74% | 0.737 | S | S | * | * | | | | 166.3 | 135.5 | 120.1 | -86.7 | 160.7 | -170.4 | -98.1 | 3.4 | 109.3 | | |
| 24 | R | 41.4 | Very low | 38 | Very low | 208 Ų | 208 | 141.7 Ų | 141.7 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | | | | 68.8 | 140.3 | 62.7 | -74.7 | -163.6 | 177.4 | -159.8 | 0 | 114.3 | | |
| 25 | R | 39.1 | Very low | 38.6 | Very low | 216 Ų | 216 | 146.2 Ų | 146.2 | 82% | 0.815 | 77% | 0.773 | S | S | * | * | | | cis | -175.6 | 156.7 | -6.5 | 159.1 | -173.5 | -84.7 | -159.1 | -9.2 | 109.9 | | |
| 26 | G | 31.5 | Very low | 38.9 | Very low | 69 Ų | 69 | 149.2 Ų | 149.2 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | | | trans | 130 | 147.8 | 161.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 27 | G | 28.2 | Very low | 38.9 | Very low | 58 Ų | 58 | 152.8 Ų | 152.8 | 60% | 0.598 | 80% | 0.795 | S | S | * | * | | | cis | -134.5 | 167.7 | -7.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 28 | E | 30.7 | Very low | 39.5 | Very low | 169 Ų | 169 | 155.8 Ų | 155.8 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | | | | 64.6 | 123.7 | 64.3 | 82.1 | -131.2 | 118.9 | 0 | 0 | 112.9 | | |
| 29 | D | 35 | Very low | 40.5 | Very low | 154 Ų | 154 | 158.4 Ų | 158.4 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | | | cis | -150.1 | 174.7 | 23.5 | -92.2 | -52.1 | 0 | 0 | 0 | 116.6 | | |
| 30 | A | 38 | Very low | 40.9 | Very low | 91 Ų | 91 | 158.7 Ų | 158.7 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | | | trans | 100.6 | 140.2 | 147.4 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 31 | L | 46.4 | Very low | 41.4 | Very low | 171 Ų | 171 | 157.6 Ų | 157.6 | 90% | 0.895 | 80% | 0.803 | S | S | * | * | | | trans | 77.1 | 79.7 | 165 | -50.8 | -171.7 | 0 | 0 | 0 | 120 | | |
| 32 | E | 40.7 | Very low | 41.8 | Very low | 190 Ų | 190 | 162.5 Ų | 162.5 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | | | trans | -107.5 | 166.5 | 146.6 | -71.4 | -175.8 | 138.1 | 0 | 0 | 109.8 | | |
| 33 | S | 40.8 | Very low | 42 | Very low | 125 Ų | 125 | 159.4 Ų | 159.4 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | | | trans | 72.3 | 95.2 | 171 | -59.4 | 0 | 0 | 0 | 0 | 119.7 | | |
| 34 | D | 44.1 | Very low | 42.2 | Very low | 152 Ų | 152 | 159.2 Ų | 159.2 | 81% | 0.813 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -159.5 | 43.9 | 152.5 | -169.9 | 32.4 | 0 | 0 | 0 | 111.1 | | |
| 35 | L | 49.3 | Very low | 41.8 | Very low | 156 Ų | 156 | 157.2 Ų | 157.2 | 82% | 0.817 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -157.3 | 18.6 | -167.4 | -118.4 | 172.6 | 0 | 0 | 0 | 117.8 | | |
| 36 | E | 44.7 | Very low | 41.5 | Very low | 188 Ų | 188 | 153.1 Ų | 153.1 | 88% | 0.879 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -113.9 | 0.2 | 175.8 | -68.3 | -157.5 | 137.9 | 0 | 0 | 115 | | |
| 37 | E | 47 | Very low | 41.5 | Very low | 187 Ų | 187 | 154.8 Ų | 154.8 | 87% | 0.874 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -94.5 | -36.4 | -173 | -161.2 | 151 | -144.9 | 0 | 0 | 114.3 | L39 | E37-L39 PolarHBondContact O-N 3.35Š|
| 38 | D | 49.3 | Very low | 42.1 | Very low | 143 Ų | 143 | 161 Ų | 161 | 77% | 0.765 | 84% | 0.842 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | 5.9 | 179.7 | -99.8 | 5.4 | 0 | 0 | 0 | 115.4 | | |
| 39 | L | 51.8 | Low | 42.4 | Very low | 146 Ų | 146 | 161.7 Ų | 161.7 | 76% | 0.764 | 84% | 0.843 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.3 | 12.5 | -162.8 | -126.1 | 162 | 0 | 0 | 0 | 115.1 | E37 | E37-L39 PolarHBondContact O-N 3.35Š|
| 40 | L | 48.4 | Very low | 42.4 | Very low | 157 Ų | 157 | 161.2 Ų | 161.2 | 82% | 0.822 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -133.1 | -5.5 | -173.5 | -73.7 | 176.5 | 0 | 0 | 0 | 117.3 | | |
| 41 | E | 47.6 | Very low | 42.6 | Very low | 184 Ų | 184 | 161.3 Ų | 161.3 | 86% | 0.86 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -96.2 | -23.4 | -170.5 | -164.3 | 155.6 | -134.5 | 0 | 0 | 115.5 | | |
| 42 | E | 43 | Very low | 42 | Very low | 188 Ų | 188 | 156.5 Ų | 156.5 | 88% | 0.879 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -91.7 | -10.6 | -162.3 | -59.6 | -171.5 | 135.3 | 0 | 0 | 117.3 | | |
| 43 | D | 44.6 | Very low | 42 | Very low | 162 Ų | 162 | 153.9 Ų | 153.9 | 87% | 0.866 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -95.3 | 14.9 | -169.1 | -160.7 | 37.4 | 0 | 0 | 0 | 115.3 | | |
| 44 | W | 44.9 | Very low | 41.7 | Very low | 230 Ų | 230 | 155.9 Ų | 155.9 | 87% | 0.871 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -111.1 | -2.2 | -172.3 | -93.9 | 108.5 | 0 | 0 | 0 | 117.7 | | |
| 45 | L | 32.8 | Very low | 41.7 | Very low | 166 Ų | 166 | 152.9 Ų | 152.9 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | | | trans | -121.2 | 73.1 | -172.6 | -68.9 | 178 | 0 | 0 | 0 | 115.4 | | |
| 46 | S | 31.9 | Very low | 41.3 | Very low | 129 Ų | 129 | 153.3 Ų | 153.3 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | | | trans | -165.9 | 79.6 | 150.7 | -91.7 | 0 | 0 | 0 | 0 | 114.6 | | |
| 47 | A | 32.3 | Very low | 41.3 | Very low | 104 Ų | 104 | 152.2 Ų | 152.2 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | | | trans | -135.6 | 22.8 | 174 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 48 | K | 40 | Very low | 41.4 | Very low | 190 Ų | 190 | 151.7 Ų | 151.7 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | | | trans | 37.7 | 101.7 | 149.8 | -163.7 | 174.5 | -171.2 | 168.8 | 0 | 118.9 | | |
| 49 | K | 37.1 | Very low | 41.3 | Very low | 183 Ų | 183 | 151.1 Ų | 151.1 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | | | | 169.7 | 115.4 | 124.3 | -95.5 | 178.2 | 178.5 | -164.7 | 0 | 116 | | |
| 50 | N | 34.9 | Very low | 40.9 | Very low | 144 Ų | 144 | 149.8 Ų | 149.8 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | | | trans | 56.5 | -173.6 | 144.7 | -43.9 | 19.5 | 0 | 0 | 0 | 117 | | |
| 51 | P | 42.5 | Very low | 40.6 | Very low | 93 Ų | 93 | 148.6 Ų | 148.6 | 60% | 0.604 | 77% | 0.77 | S | S | * | * | | | | -135.8 | 171.4 | -113.7 | 37.1 | -14.2 | 0 | 0 | 0 | 117.9 | | |
| 52 | S | 34.1 | Very low | 40.5 | Very low | 69 Ų | 69 | 145.9 Ų | 145.9 | 48% | 0.483 | 76% | 0.761 | S | S | . | * | | | trans | 60.1 | 118.1 | 161 | -151.3 | 0 | 0 | 0 | 0 | 120.5 | Q88 | S52-Q88 VanDerWaalsContact CA-CD 3.48Š|
| 53 | E | 40.8 | Very low | 41 | Very low | 136 Ų | 136 | 142.5 Ų | 142.5 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | | | trans | -163.3 | 89.8 | 137.7 | -116.5 | 167.2 | -152 | 0 | 0 | 109.7 | Y86 D87 | E53-Y86 HydrophobicContact CB-CD1 3.28Å; E53-Y86 HydrophobicContact CB-CE1 3.8Å; E53-Y86 HydrophobicContact CB-CG 4.08Å; E53-Y86 CarbonylContact O-C 3.51Å; E53-Y86 WeakPolarHBondContact O-CB 3.46Å; E53-Y86 VanDerWaalsContact O-CD1 3.32Å; E53-Y86 WeakPolarHBondContact O-CD1 3.32Å; E53-D87 CarbonylContact C-O 3.52Å; E53-D87 PolarHBondContact N-O 3.43Å; E53-D87 PolarHBondContact O-N 3.1Å |
| 54 | M | 34.3 | Very low | 40.7 | Very low | 167 Ų | 167 | 139.6 Ų | 139.6 | 82% | 0.823 | 73% | 0.732 | S | S | * | * | | | trans | -55.2 | 150.3 | 167.3 | 64.2 | -163.2 | 173.2 | 0 | 0 | 111.4 | | |
| 55 | S | 43.3 | Very low | 40.3 | Very low | 89 Ų | 89 | 136.1 Ų | 136.1 | 62% | 0.622 | 73% | 0.726 | S | S | * | * | | | trans | -147.7 | 112.4 | 173.9 | -178.5 | 0 | 0 | 0 | 0 | 111.3 | | |
| 56 | D | 41.3 | Very low | 40.4 | Very low | 164 Ų | 164 | 132.7 Ų | 132.7 | 88% | 0.877 | 72% | 0.716 | S | S | * | * | | | trans | -149.3 | 159.5 | 143.6 | -145.7 | -14.3 | 0 | 0 | 0 | 109.5 | | |
| 57 | E | 45.9 | Very low | 40.9 | Very low | 166 Ų | 166 | 130.1 Ų | 130.1 | 78% | 0.776 | 69% | 0.692 | S | S | * | * | | | trans | -125.6 | 129.2 | -171.5 | -58.9 | 178 | 129.6 | 0 | 0 | 111.5 | | |
| 58 | E | 47.5 | Very low | 41.2 | Very low | 176 Ų | 176 | 130.5 Ų | 130.5 | 82% | 0.822 | 68% | 0.679 | S | S | * | * | | | trans | -125.6 | 122.9 | 149.8 | -74.6 | -157.1 | 121.7 | 0 | 0 | 108.2 | | |
| 59 | L | 47.4 | Very low | 40.9 | Very low | 131 Ų | 131 | 128.1 Ų | 128.1 | 69% | 0.686 | 68% | 0.675 | S | S | * | * | | | | 68.6 | 128.5 | 62.7 | -61.6 | 179.2 | 0 | 0 | 0 | 111 | | |
| 60 | N | 43.4 | Very low | 41.1 | Very low | 117 Ų | 117 | 126.3 Ų | 126.3 | 63% | 0.626 | 68% | 0.675 | S | S | * | * | | | cis | -165.6 | 179.6 | 1.5 | -143.6 | 20.6 | 0 | 0 | 0 | 113.7 | | |
| 61 | D | 43.2 | Very low | 41.5 | Very low | 133 Ų | 133 | 125.8 Ų | 125.8 | 71% | 0.711 | 67% | 0.671 | S | S | * | * | | | trans | 71.7 | 167.9 | 146.5 | -67.1 | -40.1 | 0 | 0 | 0 | 122.6 | | |
| 62 | D | 45.9 | Very low | 41.1 | Very low | 127 Ų | 127 | 127.9 Ų | 127.9 | 68% | 0.679 | 68% | 0.677 | S | S | * | * | | | trans | 80.6 | 42.4 | 168.6 | -77 | 0 | 0 | 0 | 0 | 122.2 | | |
| 63 | L | 51.9 | Low | 41.3 | Very low | 117 Ų | 117 | 130.5 Ų | 130.5 | 61% | 0.613 | 69% | 0.691 | S | S | * | * | | | trans | -130.8 | 69.6 | 135.1 | -76.9 | 179.2 | 0 | 0 | 0 | 110.5 | I347 | L63-I347 HydrophobicContact CD1-CB 4.43Å; L63-I347 HydrophobicContact CD1-CD1 3.99Å; L63-I347 HydrophobicContact CD1-CG1 3.92Å; L63-I347 HydrophobicContact CD1-CG2 3.61Å; L63-I347 HydrophobicContact CD2-CD1 4.28Å; L63-I347 HydrophobicContact CD2-CG2 4.48Å |
| 64 | L | 40.3 | Very low | 41 | Very low | 100 Ų | 100 | 130 Ų | 130 | 52% | 0.524 | 70% | 0.702 | S | S | . | * | | | | 71.5 | 117.3 | 85.5 | -69.2 | -179.4 | 0 | 0 | 0 | 115.4 | | |
| 65 | Q | 35.3 | Very low | 41.3 | Very low | 158 Ų | 158 | 125.5 Ų | 125.5 | 74% | 0.738 | 70% | 0.698 | S | S | * | * | | | trans | 74.5 | 135.2 | 139.2 | -63.7 | 169.4 | 6 | 0 | 0 | 119.9 | | |
| 66 | S | 35.9 | Very low | 41 | Very low | 94 Ų | 94 | 130.1 Ų | 130.1 | 66% | 0.657 | 71% | 0.71 | S | S | * | * | | | trans | 66.7 | 142.4 | 175 | 77.1 | 0 | 0 | 0 | 0 | 114.8 | | |
| 67 | D | 41.4 | Very low | 40.5 | Very low | 75 Ų | 75 | 130.9 Ų | 130.9 | 40% | 0.401 | 71% | 0.708 | S | S | . | * | | | cis | -150.7 | 116.5 | 21.6 | -172.5 | -10.3 | 0 | 0 | 0 | 110.2 | R352 | D67-R352 VanDerWaalsContact C-NH2 3.32Å; D67-R352 VanDerWaalsContact O-CZ 3.26Å; D67-R352 PolarHBondContact O-NE 3.27Å; D67-R352 PolarHBondContact O-NH2 2.82Å; D67-R352 IonicContact OD1-CZ 2.8Å; D67-R352 IonicContact OD1-NE 3.18Å; D67-R352 IonicContact OD1-NH1 3.24Å; D67-R352 PolarHBondContact OD1-NH1 3.38Å; D67-R352 IonicContact OD1-NH2 2.66Å; D67-R352 PolarHBondContact OD1-NH2 3.07Å; D67-R352 IonicContact OD2-CZ 2.97Å; D67-R352 VanDerWaalsContact OD2-CZ 3.25Å; D67-R352 IonicContact OD2-NE 3.23Å; D67-R352 IonicContact OD2-NH1 3.01Å; D67-R352 PolarHBondContact OD2-NH1 3.38Å; D67-R352 IonicContact OD2-NH2 2.95Å |
| 68 | D | 38 | Very low | 39.9 | Very low | 112 Ų | 112 | 127 Ų | 127 | 60% | 0.599 | 71% | 0.705 | S | S | * | * | | | trans | 25.8 | 117.4 | 162.1 | -64.2 | -152.9 | 0 | 0 | 0 | 117.6 | R352 | D68-R352 PolarHBondContact O-NH2 2.86Š|
| 69 | D | 35.4 | Very low | 39.1 | Very low | 139 Ų | 139 | 124 Ų | 124 | 74% | 0.743 | 70% | 0.703 | S | S | * | * | | | | 70.4 | 125 | 86.6 | -81.1 | -62.4 | 0 | 0 | 0 | 115.3 | | |
| 70 | D | 41.2 | Very low | 38.2 | Very low | 146 Ų | 146 | 127.8 Ų | 127.8 | 78% | 0.781 | 71% | 0.709 | S | S | * | * | | | | -164.6 | 105.8 | 119.6 | -117.6 | -22.7 | 0 | 0 | 0 | 113 | | |
| 71 | L | 41.9 | Very low | 37.3 | Very low | 132 Ų | 132 | 127.4 Ų | 127.4 | 69% | 0.691 | 72% | 0.716 | S | S | * | * | | | trans | 43.7 | 123.8 | 136.5 | -60.5 | 173.8 | 0 | 0 | 0 | 122.9 | | |
| 72 | N | 35.7 | Very low | 36.7 | Very low | 138 Ų | 138 | 129.8 Ų | 129.8 | 74% | 0.738 | 73% | 0.725 | S | S | * | * | | | trans | 61.6 | 139.8 | 136 | -70.5 | -21.9 | 0 | 0 | 0 | 120.9 | | |
| 73 | T | 36.6 | Very low | 36.1 | Very low | 124 Ų | 124 | 127.2 Ų | 127.2 | 76% | 0.761 | 73% | 0.728 | S | S | * | * | | | cis | -159.2 | 145.4 | 2.1 | 2.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 74 | S | 36 | Very low | 35 | Very low | 126 Ų | 126 | 126.4 Ų | 126.4 | 88% | 0.881 | 74% | 0.739 | S | S | * | * | | | trans | 63.3 | 113.9 | 152.9 | 176.2 | 0 | 0 | 0 | 0 | 121.5 | | |
| 75 | G | 39 | Very low | 34.7 | Very low | 71 Ų | 71 | 126.8 Ų | 126.8 | 73% | 0.732 | 75% | 0.75 | S | S | * | * | | | trans | 153.9 | 82.1 | 147.2 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 76 | Q | 38.1 | Very low | 34.5 | Very low | 186 Ų | 186 | 125.7 Ų | 125.7 | 87% | 0.869 | 74% | 0.74 | S | S | * | * | | | trans | 42.9 | 134.8 | 144.9 | -63.1 | -176.9 | -28.7 | 0 | 0 | 125.2 | | |
| 77 | H | 31.6 | Very low | 34.2 | Very low | 180 Ų | 180 | 125.9 Ų | 125.9 | 83% | 0.833 | 73% | 0.733 | S | S | * | * | | | trans | 88 | 129.5 | 142.3 | -103.4 | -100.6 | 0 | 0 | 0 | 124.6 | | |
| 78 | A | 31.5 | Very low | 33.9 | Very low | 86 Ų | 86 | 126 Ų | 126 | 71% | 0.711 | 73% | 0.732 | S | S | * | * | | | trans | 40.4 | 130.4 | 157.4 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 79 | S | 30.8 | Very low | 33.7 | Very low | 112 Ų | 112 | 128.7 Ų | 128.7 | 78% | 0.783 | 74% | 0.741 | S | S | * | * | | | cis | 76 | 144.1 | 38 | -145 | 0 | 0 | 0 | 0 | 114.4 | | |
| 80 | Y | 29.3 | Very low | 33.5 | Very low | 210 Ų | 210 | 125.6 Ų | 125.6 | 82% | 0.824 | 74% | 0.742 | S | S | * | * | | | cis | -160.8 | 176.4 | 26.9 | 39.6 | -115.2 | 0 | 0 | 0 | 115.2 | | |
| 81 | S | 24.8 | Very low | 32.8 | Very low | 110 Ų | 110 | 126 Ų | 126 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | | | trans | 77.8 | 147.2 | 150.8 | -167.6 | 0 | 0 | 0 | 0 | 122.1 | | |
| 82 | M | 29.5 | Very low | 32.4 | Very low | 182 Ų | 182 | 126.2 Ų | 126.2 | 90% | 0.897 | 75% | 0.745 | S | S | * | * | | | cis | -178.3 | 155.5 | -28.6 | 178.7 | 171 | -91.8 | 0 | 0 | 111.3 | | |
| 83 | G | 34.5 | Very low | 32.3 | Very low | 73 Ų | 73 | 126.5 Ų | 126.5 | 75% | 0.753 | 74% | 0.742 | S | S | * | * | | | trans | 124.2 | 123.2 | 131.8 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 84 | A | 28.5 | Very low | 32.2 | Very low | 101 Ų | 101 | 128.3 Ų | 128.3 | 84% | 0.835 | 74% | 0.742 | S | S | * | * | | | trans | 162.1 | 160.2 | 143 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 85 | S | 33.8 | Very low | 32.2 | Very low | 107 Ų | 107 | 127 Ų | 127 | 75% | 0.748 | 74% | 0.738 | S | S | * | * | | | cis | 165.7 | 113.9 | -39.9 | 164.2 | 0 | 0 | 0 | 0 | 113.8 | | |
| 86 | Y | 30.5 | Very low | 32 | Very low | 136 Ų | 136 | 130.1 Ų | 130.1 | 53% | 0.533 | 74% | 0.738 | S | S | . | * | | | trans | -166.4 | 179.5 | 149.8 | -150.9 | -103.2 | 0 | 0 | 0 | 114.9 | E53 | E53-Y86 HydrophobicContact CB-CD1 3.28Å; E53-Y86 HydrophobicContact CB-CE1 3.8Å; E53-Y86 HydrophobicContact CB-CG 4.08Å; E53-Y86 CarbonylContact O-C 3.51Å; E53-Y86 WeakPolarHBondContact O-CB 3.46Å; E53-Y86 VanDerWaalsContact O-CD1 3.32Å; E53-Y86 WeakPolarHBondContact O-CD1 3.32Å |
| 87 | D | 30.7 | Very low | 31.6 | Very low | 97 Ų | 97 | 130 Ų | 130 | 52% | 0.519 | 73% | 0.731 | S | S | . | * | | | trans | -109.1 | 148.3 | -164 | -53 | -84.9 | 0 | 0 | 0 | 117.3 | E53 | E53-D87 CarbonylContact C-O 3.52Å; E53-D87 PolarHBondContact N-O 3.43Å; E53-D87 PolarHBondContact O-N 3.1Å |
| 88 | Q | 34.7 | Very low | 31.7 | Very low | 78 Ų | 78 | 127.2 Ų | 127.2 | 36% | 0.364 | 73% | 0.727 | S | S | . | * | | | | -169.7 | 159.8 | 122.4 | -138 | 49.6 | -160.8 | 0 | 0 | 119.1 | S52 | S52-Q88 VanDerWaalsContact CA-CD 3.48Š|
| 89 | Q | 33.4 | Very low | 31.7 | Very low | 169 Ų | 169 | 130.2 Ų | 130.2 | 79% | 0.79 | 73% | 0.731 | S | S | * | * | | | trans | -58.1 | 163.8 | 176.7 | -51.8 | 159.9 | 30.2 | 0 | 0 | 115.6 | | |
| 90 | G | 30.9 | Very low | 31.9 | Very low | 74 Ų | 74 | 131.6 Ų | 131.6 | 76% | 0.763 | 73% | 0.729 | S | S | * | * | | | trans | -155.6 | -113.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 91 | N | 27 | Very low | 32 | Very low | 154 Ų | 154 | 127.2 Ų | 127.2 | 82% | 0.824 | 72% | 0.724 | S | S | * | * | | | trans | 98.7 | 144 | 177.1 | -159.1 | 24.7 | 0 | 0 | 0 | 117.3 | | |
| 92 | L | 34 | Very low | 32.3 | Very low | 137 Ų | 137 | 128.4 Ų | 128.4 | 72% | 0.717 | 73% | 0.727 | S | S | * | * | | | trans | 76.2 | 105.5 | 167.5 | -66.6 | 175.3 | 0 | 0 | 0 | 122.7 | | |
| 93 | Q | 32.3 | Very low | 32.5 | Very low | 143 Ų | 143 | 126.5 Ų | 126.5 | 67% | 0.668 | 72% | 0.72 | S | S | * | * | | | | 95.2 | 115.2 | 114.1 | -149.3 | 70.3 | 15.4 | 0 | 0 | 123 | | |
| 94 | E | 35.4 | Very low | 32.4 | Very low | 163 Ų | 163 | 130.5 Ų | 130.5 | 76% | 0.762 | 72% | 0.724 | S | S | * | * | | | trans | 65.9 | 131.5 | 149.6 | -79.6 | 172.2 | 116.5 | 0 | 0 | 125.4 | | |
| 95 | A | 36.6 | Very low | 32.5 | Very low | 98 Ų | 98 | 129.2 Ų | 129.2 | 81% | 0.81 | 72% | 0.72 | S | S | * | * | | | trans | 63.4 | 141.4 | 141.8 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 96 | D | 33.3 | Very low | 32.2 | Very low | 136 Ų | 136 | 129 Ų | 129 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | | | cis | -161.1 | 158.5 | -20 | -160.9 | 5.4 | 0 | 0 | 0 | 109.6 | | |
| 97 | Y | 30.4 | Very low | 32.1 | Very low | 183 Ų | 183 | 132.2 Ų | 132.2 | 72% | 0.718 | 74% | 0.744 | S | S | * | * | | | trans | 57.3 | 98.1 | 171.7 | -78.4 | -83.3 | 0 | 0 | 0 | 123.4 | | |
| 98 | T | 34.2 | Very low | 31.9 | Very low | 122 Ų | 122 | 130.8 Ų | 130.8 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | | | | 65.2 | 128.1 | 125.8 | 56.6 | 0 | 0 | 0 | 0 | 125.7 | | |
| 99 | D | 31.6 | Very low | 31.4 | Very low | 149 Ų | 149 | 132.3 Ų | 132.3 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | | | trans | 78.8 | 82.6 | 142 | -110.9 | 43.7 | 0 | 0 | 0 | 121.7 | | |
| 100 | D | 34 | Very low | 30.9 | Very low | 141 Ų | 141 | 131.7 Ų | 131.7 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | | | trans | 60.9 | 114.5 | 130.6 | -68.8 | 14.1 | 0 | 0 | 0 | 125 | | |
| 101 | V | 31.6 | Very low | 30.5 | Very low | 118 Ų | 118 | 135.7 Ų | 135.7 | 72% | 0.715 | 77% | 0.767 | S | S | * | * | | | trans | 77.8 | 99.3 | 135.5 | -179 | 0 | 0 | 0 | 0 | 120.4 | | |
| 102 | V | 31.7 | Very low | 30.5 | Very low | 136 Ų | 136 | 135.7 Ų | 135.7 | 82% | 0.824 | 76% | 0.762 | S | S | * | * | | | | -174.4 | 126.3 | 104.5 | -85.8 | 0 | 0 | 0 | 0 | 115.6 | | |
| 103 | N | 34 | Very low | 30.2 | Very low | 141 Ų | 141 | 136.9 Ų | 136.9 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | | | | 54.5 | 113.5 | 126.5 | -154.9 | 49.3 | 0 | 0 | 0 | 125.3 | | |
| 104 | L | 32.4 | Very low | 29.9 | Very low | 158 Ų | 158 | 138 Ų | 138 | 83% | 0.827 | 77% | 0.769 | S | S | * | * | | | trans | 58.4 | 127.6 | 139.5 | -78.9 | 175.4 | 0 | 0 | 0 | 125.2 | | |
| 105 | G | 29.3 | Very low | 29.6 | Very low | 74 Ų | 74 | 136.5 Ų | 136.5 | 76% | 0.763 | 76% | 0.762 | S | S | * | * | | | trans | 98.5 | 153.6 | 135 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 106 | A | 29.5 | Very low | 29 | Very low | 101 Ų | 101 | 137.2 Ų | 137.2 | 84% | 0.835 | 75% | 0.747 | S | S | * | * | | | cis | -161.2 | 168.6 | -10.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 107 | E | 27.3 | Very low | 28.6 | Very low | 204 Ų | 204 | 137.7 Ų | 137.7 | 95% | 0.953 | 74% | 0.739 | S | S | * | * | | | trans | -10.2 | 152.6 | 171.8 | -56.4 | -178 | 168 | 0 | 0 | 123.1 | | |
| 108 | G | 27.3 | Very low | 28.4 | Very low | 67 Ų | 67 | 135 Ų | 135 | 69% | 0.691 | 73% | 0.733 | S | S | * | * | | | trans | 136.8 | 129.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 109 | C | 22.9 | Very low | 28.1 | Very low | 111 Ų | 111 | 136.3 Ų | 136.3 | 75% | 0.75 | 73% | 0.73 | S | S | * | * | | | cis | 57.7 | 125.7 | 20 | -47.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 110 | E | 22.6 | Very low | 28 | Very low | 155 Ų | 155 | 137 Ų | 137 | 72% | 0.724 | 73% | 0.729 | S | S | * | * | | | cis | -129.1 | -165.4 | 11.8 | -80.5 | 98.6 | -141.8 | 0 | 0 | 112.9 | | |
| 111 | E | 23.4 | Very low | 27.7 | Very low | 158 Ų | 158 | 138.8 Ų | 138.8 | 74% | 0.738 | 73% | 0.733 | S | S | * | * | | | trans | 29.8 | 145.6 | 131.2 | -68.3 | 154.2 | -164.9 | 0 | 0 | 120 | | |
| 112 | E | 27.4 | Very low | 27.7 | Very low | 155 Ų | 155 | 138 Ų | 138 | 72% | 0.724 | 74% | 0.738 | S | S | * | * | | | cis | -172 | -176.5 | -0.9 | -118.6 | 174.1 | 162.4 | 0 | 0 | 108.2 | | |
| 113 | E | 27.3 | Very low | 27.4 | Very low | 162 Ų | 162 | 141.1 Ų | 141.1 | 76% | 0.757 | 74% | 0.737 | S | S | * | * | | | trans | 65.3 | 133.4 | 159.5 | -73.8 | 174.5 | 174.4 | 0 | 0 | 117.6 | | |
| 114 | E | 26.6 | Very low | 27.1 | Very low | 165 Ų | 165 | 139 Ų | 139 | 77% | 0.771 | 74% | 0.739 | S | S | * | * | | | | 67.7 | 139.4 | 67 | -66.2 | -171.2 | -176.4 | 0 | 0 | 113.2 | | |
| 115 | E | 28.4 | Very low | 27 | Very low | 132 Ų | 132 | 134.9 Ų | 134.9 | 62% | 0.617 | 73% | 0.734 | S | S | * | * | | | cis | -157.5 | 169 | 3.9 | -138.1 | -171.2 | 167.8 | 0 | 0 | 112.2 | | |
| 116 | F | 23.2 | Very low | 26.8 | Very low | 114 Ų | 114 | 136.8 Ų | 136.8 | 50% | 0.5 | 74% | 0.736 | S | S | . | * | | | trans | 70.2 | 138.7 | 143.8 | -91.4 | -39.4 | 0 | 0 | 0 | 126 | | |
| 117 | R | 26.6 | Very low | 26.5 | Very low | 146 Ų | 146 | 141.2 Ų | 141.2 | 55% | 0.551 | 73% | 0.732 | S | S | * | * | | | trans | 86.9 | 118.6 | 137.3 | -73.7 | 170.8 | -156.8 | -76.3 | -7.1 | 118.7 | | |
| 118 | Q | 26.2 | Very low | 26.4 | Very low | 126 Ų | 126 | 138.5 Ų | 138.5 | 59% | 0.589 | 72% | 0.724 | S | S | * | * | | | | 85.4 | 128.9 | 55.1 | -170.7 | -174.6 | 29.3 | 0 | 0 | 110.5 | | |
| 119 | E | 27 | Very low | 26.8 | Very low | 150 Ų | 150 | 143.3 Ų | 143.3 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | | | cis | -172.5 | -179.7 | -7.4 | 177 | 171.9 | -163.5 | 0 | 0 | 108.3 | | |
| 120 | E | 29.2 | Very low | 27 | Very low | 163 Ų | 163 | 147 Ų | 147 | 76% | 0.762 | 74% | 0.735 | S | S | * | * | | | trans | 89.6 | 119.6 | 148 | -145.1 | 161.4 | -145.4 | 0 | 0 | 121 | | |
| 121 | E | 28.6 | Very low | 27.1 | Very low | 179 Ų | 179 | 146 Ų | 146 | 84% | 0.836 | 74% | 0.735 | S | S | * | * | | | trans | 55.4 | 105.2 | 152.2 | -71.2 | -167.7 | 158.7 | 0 | 0 | 123.7 | | |
| 122 | A | 31.8 | Very low | 27.8 | Very low | 101 Ų | 101 | 145 Ų | 145 | 84% | 0.835 | 74% | 0.735 | S | S | * | * | | | trans | -148.2 | 103 | 130.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A124 | A122-A124 PolarHBondContact O-N 3.33Å; A122-A124 VanDerWaalsContact O-N 3.09Å |
| 123 | Y | 25.5 | Very low | 28.2 | Very low | 202 Ų | 202 | 143.6 Ų | 143.6 | 79% | 0.792 | 74% | 0.736 | S | S | * | * | | | trans | -76.5 | 90.2 | -177.7 | 176.5 | -96.3 | 0 | 0 | 0 | 113 | Y127 | Y123-Y127 HydrophobicContact CD2-CE2 4.44Š|
| 124 | A | 27.8 | Very low | 28.3 | Very low | 96 Ų | 96 | 143.1 Ų | 143.1 | 79% | 0.793 | 73% | 0.734 | S | S | * | * | | | trans | 175.3 | 115.3 | 145.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | A122 | A122-A124 PolarHBondContact O-N 3.33Å; A122-A124 VanDerWaalsContact O-N 3.09Å |
| 125 | G | 30 | Very low | 28.8 | Very low | 71 Ų | 71 | 144 Ų | 144 | 73% | 0.732 | 74% | 0.741 | S | S | * | * | S | Bend | trans | 134.5 | 71.3 | 160.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 126 | S | 24.4 | Very low | 28.8 | Very low | 114 Ų | 114 | 143.8 Ų | 143.8 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | | | trans | 59.7 | 87.7 | 173.9 | -57.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 127 | Y | 23.6 | Very low | 29.3 | Very low | 195 Ų | 195 | 141.1 Ų | 141.1 | 77% | 0.765 | 76% | 0.759 | S | S | * | * | | | trans | -50.7 | 138.6 | -178.3 | -90.1 | -93.8 | 0 | 0 | 0 | 114.3 | Y123 | Y123-Y127 HydrophobicContact CD2-CE2 4.44Š|
| 128 | N | 25.7 | Very low | 29.5 | Very low | 147 Ų | 147 | 141.8 Ų | 141.8 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | | | trans | -95.1 | 169 | 168.8 | -86 | -78.6 | 0 | 0 | 0 | 112 | | |
| 129 | Q | 35.5 | Very low | 29.5 | Very low | 167 Ų | 167 | 144.4 Ų | 144.4 | 78% | 0.78 | 79% | 0.785 | S | S | * | * | | | trans | -43.4 | 142.7 | 159.4 | 166.5 | -178.3 | -2.7 | 0 | 0 | 115.1 | | |
| 130 | E | 25.4 | Very low | 29.5 | Very low | 189 Ų | 189 | 144.6 Ų | 144.6 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | | | trans | -178.7 | 179.5 | 157.2 | -105.7 | 156.7 | -135.4 | 0 | 0 | 109.5 | | |
| 131 | D | 25.8 | Very low | 29.5 | Very low | 134 Ų | 134 | 144.3 Ų | 144.3 | 72% | 0.717 | 79% | 0.793 | S | S | * | * | | | | -140.6 | -163.8 | -100.1 | -150.6 | -36.6 | 0 | 0 | 0 | 110.3 | | |
| 132 | N | 38.5 | Very low | 29.8 | Very low | 138 Ų | 138 | 147 Ų | 147 | 74% | 0.738 | 80% | 0.797 | S | S | * | * | | | trans | -87.1 | 173 | -173.6 | -68.1 | -95.3 | 0 | 0 | 0 | 114.2 | | |
| 133 | T | 34.3 | Very low | 29.8 | Very low | 124 Ų | 124 | 146.1 Ų | 146.1 | 76% | 0.761 | 80% | 0.798 | S | S | * | * | | | trans | 102.9 | 116.8 | 147.1 | -46.4 | 0 | 0 | 0 | 0 | 118.3 | | |
| 134 | E | 29.4 | Very low | 29.8 | Very low | 152 Ų | 152 | 140.4 Ų | 140.4 | 71% | 0.71 | 80% | 0.801 | S | S | * | * | | | | -159 | 155.1 | 114.9 | -118 | -172 | 177.4 | 0 | 0 | 112.4 | | |
| 135 | M | 38.1 | Very low | 30.3 | Very low | 184 Ų | 184 | 144.6 Ų | 144.6 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | | | trans | -110.2 | 145.9 | -172.9 | -75.4 | -168.2 | 179.1 | 0 | 0 | 113.7 | | |
| 136 | S | 29 | Very low | 31.2 | Very low | 127 Ų | 127 | 146.2 Ų | 146.2 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | | | trans | -158.5 | 151.9 | 141.3 | 60.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 137 | G | 32.1 | Very low | 31.6 | Very low | 59 Ų | 59 | 145.8 Ų | 145.8 | 61% | 0.608 | 81% | 0.805 | S | S | * | * | | | cis | 165.7 | 127.8 | -10.3 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 138 | N | 31.3 | Very low | 32.6 | Very low | 159 Ų | 159 | 146.1 Ų | 146.1 | 85% | 0.85 | 81% | 0.814 | S | S | * | * | | | trans | 82.7 | 134.6 | 166.7 | -45.8 | -59.5 | 0 | 0 | 0 | 119.9 | | |
| 139 | Q | 26.7 | Very low | 32.9 | Very low | 181 Ų | 181 | 142.9 Ų | 142.9 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | | | trans | 69.9 | 132.7 | 153 | -84.6 | 174.3 | 1.9 | 0 | 0 | 118.6 | | |
| 140 | I | 26.6 | Very low | 32.9 | Very low | 154 Ų | 154 | 142.5 Ų | 142.5 | 79% | 0.79 | 82% | 0.818 | S | S | * | * | | | cis | -149.9 | 151 | 7.5 | -11.9 | 163.2 | 0 | 0 | 0 | 113 | | |
| 141 | D | 28.5 | Very low | 33.4 | Very low | 157 Ų | 157 | 140.3 Ų | 140.3 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | | | trans | 71.8 | 164.1 | 145.2 | -139.1 | -2.1 | 0 | 0 | 0 | 122.3 | | |
| 142 | Y | 35.5 | Very low | 33.8 | Very low | 235 Ų | 235 | 137 Ų | 137 | 92% | 0.922 | 81% | 0.81 | S | S | * | * | | | trans | -94.8 | 148.2 | -162.6 | -125.4 | -115 | 0 | 0 | 0 | 114.2 | | |
| 143 | G | 32.2 | Very low | 33.6 | Very low | 83 Ų | 83 | 140.9 Ų | 140.9 | 86% | 0.856 | 82% | 0.816 | S | S | * | * | | | trans | -145.1 | -34.4 | -169.2 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 144 | G | 26.3 | Very low | 33.6 | Very low | 82 Ų | 82 | 143.6 Ų | 143.6 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | | | trans | 102.7 | 149 | 170.5 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 145 | E | 37.8 | Very low | 34.1 | Very low | 184 Ų | 184 | 146.4 Ų | 146.4 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | | | trans | -113.3 | -177 | 174.7 | -119.4 | -151.8 | 153.6 | 0 | 0 | 109.6 | | |
| 146 | P | 49.3 | Very low | 34.6 | Very low | 105 Ų | 105 | 146.9 Ų | 146.9 | 68% | 0.682 | 83% | 0.826 | S | S | * | * | | | cis | -132.9 | 171.6 | -31.6 | 33.1 | -16.3 | 0 | 0 | 0 | 113.6 | | |
| 147 | A | 33 | Very low | 35.3 | Very low | 106 Ų | 106 | 146.5 Ų | 146.5 | 88% | 0.876 | 82% | 0.818 | S | S | * | * | | | trans | -166.4 | 147.9 | 152 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 148 | E | 42.8 | Very low | 35.9 | Very low | 202 Ų | 202 | 151.7 Ų | 151.7 | 94% | 0.944 | 83% | 0.831 | S | S | * | * | | | trans | -82.2 | 158.6 | 175.7 | -59 | 166.1 | 120.3 | 0 | 0 | 112.8 | | |
| 149 | G | 32.3 | Very low | 36.2 | Very low | 79 Ų | 79 | 151.3 Ų | 151.3 | 81% | 0.814 | 83% | 0.828 | S | S | * | * | | | trans | -154.7 | 113.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 150 | D | 35.3 | Very low | 37.1 | Very low | 158 Ų | 158 | 150 Ų | 150 | 85% | 0.845 | 83% | 0.825 | S | S | * | * | | | trans | -80.8 | 167.4 | -172.6 | -162.9 | 14.6 | 0 | 0 | 0 | 113.7 | | |
| 151 | D | 36 | Very low | 37.5 | Very low | 143 Ų | 143 | 150 Ų | 150 | 77% | 0.765 | 83% | 0.827 | S | S | * | * | | | trans | -74.9 | 165.3 | -176.4 | 77.3 | 40.2 | 0 | 0 | 0 | 114.8 | | |
| 152 | G | 34.8 | Very low | 38.2 | Very low | 64 Ų | 64 | 149.7 Ų | 149.7 | 66% | 0.66 | 82% | 0.824 | S | S | * | * | | | trans | -157.1 | 80.2 | -167 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 153 | Y | 35 | Very low | 38 | Very low | 220 Ų | 220 | 145.6 Ų | 145.6 | 86% | 0.863 | 82% | 0.818 | S | S | * | * | | | trans | -113.6 | 126.3 | 163.8 | -78.1 | -83.6 | 0 | 0 | 0 | 111.7 | | |
| 154 | Q | 33 | Very low | 38.4 | Very low | 181 Ų | 181 | 150.7 Ų | 150.7 | 85% | 0.846 | 82% | 0.819 | S | S | * | * | | | trans | -82.6 | 152.7 | -173.9 | -70.1 | -71 | -25.3 | 0 | 0 | 112.6 | | |
| 155 | Y | 39.8 | Very low | 39.2 | Very low | 211 Ų | 211 | 153 Ų | 153 | 83% | 0.827 | 82% | 0.817 | S | S | * | * | | | trans | -105.1 | 122.7 | 170.4 | -76.5 | -114.6 | 0 | 0 | 0 | 109 | | |
| 156 | E | 49.4 | Very low | 39.8 | Very low | 195 Ų | 195 | 152.3 Ų | 152.3 | 91% | 0.911 | 82% | 0.819 | S | S | * | * | | | trans | -101.4 | 144.7 | 163.2 | -66.6 | -161.5 | 161.2 | 0 | 0 | 111 | | |
| 157 | V | 42.7 | Very low | 39.1 | Very low | 119 Ų | 119 | 155.3 Ų | 155.3 | 72% | 0.721 | 83% | 0.829 | S | S | * | * | | | trans | -121.4 | 126 | -174.1 | 176.1 | 0 | 0 | 0 | 0 | 108 | | |
| 158 | L | 45.8 | Very low | 39.1 | Very low | 168 Ų | 168 | 153.6 Ų | 153.6 | 88% | 0.88 | 82% | 0.821 | S | S | * | * | | | trans | -89.3 | 107.1 | 174.4 | -69.3 | 174.1 | 0 | 0 | 0 | 110.2 | | |
| 159 | D | 37.9 | Very low | 38.7 | Very low | 150 Ų | 150 | 152.3 Ų | 152.3 | 80% | 0.802 | 82% | 0.816 | S | S | * | * | | | trans | -71.6 | 139 | 166.1 | -77.8 | -50.8 | 0 | 0 | 0 | 110.5 | | |
| 160 | I | 45.2 | Very low | 38.7 | Very low | 153 Ų | 153 | 157.3 Ų | 157.3 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | | | trans | -103.8 | 93.2 | -179.7 | -56.8 | 176.8 | 0 | 0 | 0 | 108.9 | I162 | I160-I162 PolarHBondContact O-N 3.45Š|
| 161 | D | 34.2 | Very low | 38.5 | Very low | 154 Ų | 154 | 157.8 Ų | 157.8 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | | | trans | -71.9 | 117.2 | 171.1 | -95.6 | -32.5 | 0 | 0 | 0 | 110.9 | | |
| 162 | I | 43.2 | Very low | 38.5 | Very low | 151 Ų | 151 | 157.1 Ų | 157.1 | 77% | 0.774 | 81% | 0.809 | S | S | * | * | | | trans | -93 | 109.5 | 173.6 | -58.9 | 173.9 | 0 | 0 | 0 | 108.1 | I160 | I160-I162 PolarHBondContact O-N 3.45Š|
| 163 | N | 31.6 | Very low | 38.2 | Very low | 149 Ų | 149 | 163 Ų | 163 | 80% | 0.797 | 82% | 0.819 | S | S | * | * | | | trans | -147.9 | 41.7 | -178 | -132.3 | -9.7 | 0 | 0 | 0 | 115 | | |
| 164 | E | 41.6 | Very low | 38.2 | Very low | 190 Ų | 190 | 161 Ų | 161 | 89% | 0.888 | 82% | 0.818 | S | S | * | * | | | trans | -107.5 | 130.8 | 158.2 | -70.2 | -164.8 | 169 | 0 | 0 | 110.2 | | |
| 165 | T | 41.9 | Very low | 37.9 | Very low | 131 Ų | 131 | 161.7 Ų | 161.7 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | | | trans | -90.9 | 123.2 | -174.9 | 47.8 | 0 | 0 | 0 | 0 | 111.7 | D167 | T165-D167 PolarHBondContact O-N 3.29Š|
| 166 | L | 51.8 | Low | 37.3 | Very low | 170 Ų | 170 | 157.6 Ų | 157.6 | 89% | 0.89 | 81% | 0.807 | S | S | * | * | | | trans | -68.3 | 108.4 | 160.2 | -69.9 | 167.7 | 0 | 0 | 0 | 109.7 | | |
| 167 | D | 33.6 | Very low | 36.2 | Very low | 168 Ų | 168 | 158.4 Ų | 158.4 | 90% | 0.898 | 80% | 0.801 | S | S | * | * | | | trans | 175.1 | 149.8 | 137.7 | -100 | -22.5 | 0 | 0 | 0 | 112.5 | T165 | T165-D167 PolarHBondContact O-N 3.29Š|
| 168 | G | 32.2 | Very low | 35.3 | Very low | 69 Ų | 69 | 157.4 Ų | 157.4 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | | | trans | 117.7 | 117.7 | 159.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 169 | E | 35.1 | Very low | 34.2 | Very low | 176 Ų | 176 | 157 Ų | 157 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | | | trans | 66.4 | 100.3 | 172.6 | -58.4 | 176.6 | -163.3 | 0 | 0 | 115.4 | | |
| 170 | F | 31.7 | Very low | 33.5 | Very low | 183 Ų | 183 | 153 Ų | 153 | 80% | 0.803 | 79% | 0.793 | S | S | * | * | | | cis | 51.7 | 74.2 | 10.2 | -94.9 | -71.8 | 0 | 0 | 0 | 116.2 | | |
| 171 | Q | 31.3 | Very low | 32.5 | Very low | 168 Ų | 168 | 153.6 Ų | 153.6 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | | | trans | -142.9 | 106.8 | 142.6 | -117.4 | 161.4 | 93.3 | 0 | 0 | 108.6 | | |
| 172 | N | 36 | Very low | 32 | Very low | 129 Ų | 129 | 155.5 Ų | 155.5 | 69% | 0.69 | 80% | 0.801 | S | S | * | * | | | trans | -106.6 | 89.7 | 178.9 | -64.8 | -25.2 | 0 | 0 | 0 | 108.9 | | |
| 173 | E | 30.1 | Very low | 31.2 | Very low | 188 Ų | 188 | 152.5 Ų | 152.5 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | | | trans | -157.5 | 133.6 | 167.2 | -96.6 | 138.3 | -133.4 | 0 | 0 | 104.5 | | |
| 174 | E | 34.9 | Very low | 31 | Very low | 179 Ų | 179 | 154.5 Ų | 154.5 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | | | cis | -130.4 | 129.6 | 45.4 | -177.6 | 169.9 | -165 | 0 | 0 | 114.2 | | |
| 175 | F | 26.8 | Very low | 30.3 | Very low | 195 Ų | 195 | 151.3 Ų | 151.3 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | | | trans | -82.7 | 126.3 | 163 | -129.6 | -97.3 | 0 | 0 | 0 | 108.4 | | |
| 176 | Q | 26.8 | Very low | 29.7 | Very low | 125 Ų | 125 | 151.3 Ų | 151.3 | 58% | 0.584 | 80% | 0.797 | S | S | * | * | | | trans | 178.7 | 142.1 | 136.7 | -104.3 | 159.1 | 100 | 0 | 0 | 116.6 | | |
| 177 | R | 25.4 | Very low | 28.4 | Very low | 211 Ų | 211 | 150.1 Ų | 150.1 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | | | trans | 68.3 | 150.3 | 152.7 | -61.6 | 158.6 | -158.1 | -121.8 | 4.6 | 116.5 | | |
| 178 | S | 24.1 | Very low | 28.1 | Very low | 99 Ų | 99 | 149.8 Ų | 149.8 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | | | cis | -164.7 | 163.1 | -23.2 | 47.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 179 | N | 23.5 | Very low | 27.8 | Very low | 160 Ų | 160 | 153.9 Ų | 153.9 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | | | trans | 3.2 | 123 | 154.6 | -54.6 | -13 | 0 | 0 | 0 | 119 | | |
| 180 | G | 23.5 | Very low | 27.3 | Very low | 66 Ų | 66 | 152.2 Ų | 152.2 | 68% | 0.68 | 78% | 0.778 | S | S | * | * | | | | 98 | 124.9 | 123.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 181 | N | 23.1 | Very low | 27 | Very low | 164 Ų | 164 | 147.7 Ų | 147.7 | 88% | 0.877 | 77% | 0.774 | S | S | * | * | | | trans | 68 | 167.1 | 163.6 | -60 | 2.5 | 0 | 0 | 0 | 112.6 | | |
| 182 | E | 24.2 | Very low | 26.8 | Very low | 194 Ų | 194 | 148.3 Ų | 148.3 | 91% | 0.907 | 78% | 0.777 | S | S | * | * | | | cis | -125.8 | 170.4 | 22.1 | -68 | 163.3 | 143.5 | 0 | 0 | 114.1 | | |
| 183 | A | 26.3 | Very low | 26.2 | Very low | 88 Ų | 88 | 151.3 Ų | 151.3 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | | | trans | -107.6 | 158.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 184 | E | 28.2 | Very low | 26.1 | Very low | 191 Ų | 191 | 146.1 Ų | 146.1 | 89% | 0.893 | 78% | 0.783 | S | S | * | * | | | trans | 71.5 | 156.6 | 157.6 | -156.5 | 141.8 | -143.5 | 0 | 0 | 118.2 | | |
| 185 | T | 25.8 | Very low | 25.7 | Very low | 123 Ų | 123 | 148.7 Ų | 148.7 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | | | trans | -121.6 | 147.2 | -176.8 | 48.7 | 0 | 0 | 0 | 0 | 109 | | |
| 186 | T | 28.4 | Very low | 25.7 | Very low | 131 Ų | 131 | 150.4 Ų | 150.4 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | trans | -173 | 167.4 | 137.8 | -82.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 187 | Q | 26 | Very low | 25.7 | Very low | 145 Ų | 145 | 147.8 Ų | 147.8 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | | | trans | -66.6 | 164.9 | -161 | -62.4 | 141.6 | -111.9 | 0 | 0 | 119.7 | | |
| 188 | E | 26 | Very low | 25.8 | Very low | 161 Ų | 161 | 145.3 Ų | 145.3 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | | | | 101.2 | 154.2 | 127.7 | -97.5 | 154.1 | -120.4 | 0 | 0 | 124.5 | | |
| 189 | E | 26.9 | Very low | 26 | Very low | 156 Ų | 156 | 147.9 Ų | 147.9 | 73% | 0.729 | 79% | 0.791 | S | S | * | * | | | trans | 53.6 | 118.3 | 171.2 | -70.3 | -108.9 | 78.5 | 0 | 0 | 122.2 | | |
| 190 | N | 23.4 | Very low | 26.3 | Very low | 141 Ų | 141 | 147.2 Ų | 147.2 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | | | | 32.2 | 155 | 116.5 | -84.3 | -38.3 | 0 | 0 | 0 | 123.5 | | |
| 191 | A | 26.5 | Very low | 26.7 | Very low | 87 Ų | 87 | 151.6 Ų | 151.6 | 72% | 0.719 | 79% | 0.786 | S | S | * | * | | | trans | 73.6 | 100.6 | 151.4 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 192 | E | 26.3 | Very low | 27.2 | Very low | 181 Ų | 181 | 152 Ų | 152 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | | | | 67.2 | 128.9 | 110.3 | -162.3 | 151.5 | -137.7 | 0 | 0 | 122 | | |
| 193 | E | 24.9 | Very low | 27.3 | Very low | 192 Ų | 192 | 149.7 Ų | 149.7 | 90% | 0.897 | 78% | 0.776 | S | S | * | * | | | trans | 57.9 | -178.1 | 165.9 | -72.3 | -149.9 | 128.3 | 0 | 0 | 118.9 | | |
| 194 | G | 26.8 | Very low | 27.5 | Very low | 79 Ų | 79 | 149 Ų | 149 | 81% | 0.814 | 77% | 0.77 | S | S | * | * | | | trans | 111.5 | 110.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 195 | R | 26.2 | Very low | 27.4 | Very low | 233 Ų | 233 | 145.3 Ų | 145.3 | 88% | 0.879 | 76% | 0.761 | S | S | * | * | | | trans | -96.9 | 144.9 | 164.6 | -72.2 | 178.5 | 169.1 | -152.7 | -1 | 110.5 | | |
| 196 | R | 26.8 | Very low | 27.4 | Very low | 232 Ų | 232 | 148.3 Ų | 148.3 | 88% | 0.875 | 77% | 0.767 | S | S | * | * | | | trans | 55.1 | 129.1 | 148.9 | -76.4 | 175.5 | 153 | -101.7 | 0.7 | 118.6 | | |
| 197 | G | 28.2 | Very low | 27.2 | Very low | 69 Ų | 69 | 150.7 Ų | 150.7 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | | | trans | 138.7 | 93.3 | 130.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 198 | E | 27.8 | Very low | 28 | Very low | 159 Ų | 159 | 148.9 Ų | 148.9 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | | | | 51.6 | 123.1 | 128 | -71.6 | 177.6 | -140.8 | 0 | 0 | 122.9 | | |
| 199 | Q | 27.9 | Very low | 28.5 | Very low | 154 Ų | 154 | 146.2 Ų | 146.2 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | | | trans | 90.4 | 115.8 | 136.5 | -67.1 | 176 | 75.6 | 0 | 0 | 122.3 | | |
| 200 | Q | 28.8 | Very low | 28.4 | Very low | 146 Ų | 146 | 144.1 Ų | 144.1 | 68% | 0.682 | 76% | 0.764 | S | S | * | * | | | | 96.4 | 119.3 | 123 | -165.7 | 167.2 | 8.1 | 0 | 0 | 123.1 | | |
| 201 | E | 32.4 | Very low | 28.4 | Very low | 157 Ų | 157 | 147.3 Ų | 147.3 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | | | trans | 50.5 | 158.6 | 148.1 | -66.3 | 165.7 | 156.3 | 0 | 0 | 120.5 | | |
| 202 | E | 32.7 | Very low | 28.3 | Very low | 173 Ų | 173 | 150.3 Ų | 150.3 | 81% | 0.808 | 77% | 0.766 | S | S | * | * | | | cis | -158.3 | 157.3 | 3.1 | -136.8 | -176.4 | 163.4 | 0 | 0 | 112.5 | | |
| 203 | D | 27.4 | Very low | 28.3 | Very low | 145 Ų | 145 | 146.7 Ų | 146.7 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | | | trans | 58.8 | 146.3 | 143.9 | -150.7 | 31.5 | 0 | 0 | 0 | 127.7 | | |
| 204 | A | 30.2 | Very low | 28.5 | Very low | 74 Ų | 74 | 145.7 Ų | 145.7 | 61% | 0.612 | 75% | 0.752 | S | S | * | * | | | trans | 56.4 | 155.9 | 149.8 | 0 | 0 | 0 | 0 | 0 | 125.2 | | |
| 205 | T | 27 | Very low | 28.7 | Very low | 113 Ų | 113 | 150.9 Ų | 150.9 | 69% | 0.693 | 76% | 0.755 | S | S | * | * | | | cis | -175.6 | 151.2 | -22.5 | -86.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 206 | E | 26 | Very low | 28.8 | Very low | 187 Ų | 187 | 143.1 Ų | 143.1 | 87% | 0.874 | 75% | 0.747 | S | S | * | * | | | trans | 83.6 | 150.6 | 158 | -87.2 | 160.3 | -142 | 0 | 0 | 126.1 | | |
| 207 | E | 23.7 | Very low | 28.7 | Very low | 181 Ų | 181 | 135.5 Ų | 135.5 | 85% | 0.846 | 74% | 0.74 | S | S | * | * | | | trans | -77.6 | -165.6 | -168.9 | -42.3 | 178.3 | 126.6 | 0 | 0 | 117.2 | | |
| 208 | P | 41.5 | Very low | 28.4 | Very low | 107 Ų | 107 | 140.6 Ų | 140.6 | 70% | 0.695 | 75% | 0.751 | S | S | * | * | | | cis | -125.9 | -123.1 | -16.7 | 29.9 | -3.8 | 0 | 0 | 0 | 111.3 | | |
| 209 | P | 36.5 | Very low | 28.4 | Very low | 104 Ų | 104 | 141.7 Ų | 141.7 | 68% | 0.675 | 75% | 0.754 | S | S | * | * | | | cis | -138.1 | 121.3 | -33.8 | 31.9 | -8.3 | 0 | 0 | 0 | 119.1 | | |
| 210 | V | 24.5 | Very low | 28.3 | Very low | 113 Ų | 113 | 140.4 Ų | 140.4 | 69% | 0.685 | 76% | 0.756 | S | S | * | * | | | trans | 44.5 | 143.6 | 131.5 | -142.9 | 0 | 0 | 0 | 0 | 126.3 | | |
| 211 | Y | 25 | Very low | 28.3 | Very low | 208 Ų | 208 | 139.9 Ų | 139.9 | 82% | 0.816 | 76% | 0.758 | S | S | * | * | | | trans | 89.6 | 158.1 | 158.5 | -54.6 | -72.9 | 0 | 0 | 0 | 120.7 | | |
| 212 | E | 23.9 | Very low | 28 | Very low | 149 Ų | 149 | 140.6 Ų | 140.6 | 70% | 0.696 | 77% | 0.765 | S | S | * | * | | | | -173 | 170.5 | -53.1 | -172.6 | 159.2 | -148.9 | 0 | 0 | 110.2 | | |
| 213 | T | 26.8 | Very low | 27.7 | Very low | 105 Ų | 105 | 139.5 Ų | 139.5 | 64% | 0.644 | 76% | 0.76 | S | S | * | * | | | trans | 121.9 | 139.2 | 150.6 | -34.5 | 0 | 0 | 0 | 0 | 119.7 | | |
| 214 | E | 29.4 | Very low | 27.8 | Very low | 172 Ų | 172 | 140.2 Ų | 140.2 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | | | trans | 53.2 | 155.9 | 158.4 | 64.6 | -140.2 | 145.2 | 0 | 0 | 122.9 | | |
| 215 | E | 29.1 | Very low | 27.8 | Very low | 188 Ų | 188 | 144.6 Ų | 144.6 | 88% | 0.879 | 77% | 0.772 | S | S | * | * | | | cis | -144.6 | -175.3 | 2 | -145.8 | -167.2 | 155.7 | 0 | 0 | 112.1 | | |
| 216 | G | 28.6 | Very low | 27.8 | Very low | 69 Ų | 69 | 146 Ų | 146 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | | | trans | -105 | -171.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 217 | G | 24.9 | Very low | 27.8 | Very low | 72 Ų | 72 | 144 Ų | 144 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | | | cis | 170.6 | 171.1 | 0.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 218 | N | 22.5 | Very low | 28.1 | Very low | 176 Ų | 176 | 142.6 Ų | 142.6 | 94% | 0.941 | 77% | 0.765 | S | S | * | * | | | trans | -144.3 | 153 | 178.9 | -101.5 | -44.3 | 0 | 0 | 0 | 114.1 | | |
| 219 | K | 28.3 | Very low | 27.3 | Very low | 183 Ų | 183 | 146.4 Ų | 146.4 | 80% | 0.796 | 77% | 0.773 | S | S | * | * | | | trans | -158.4 | 140.2 | -162.5 | 56.4 | -175.8 | 175.3 | 179.7 | 0 | 114.9 | | |
| 220 | T | 25.6 | Very low | 27 | Very low | 126 Ų | 126 | 145.9 Ų | 145.9 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | | | trans | 52.1 | 125 | 144.2 | 56 | 0 | 0 | 0 | 0 | 122.4 | | |
| 221 | L | 27.9 | Very low | 27.6 | Very low | 136 Ų | 136 | 146.8 Ų | 146.8 | 71% | 0.712 | 77% | 0.773 | S | S | * | * | | | trans | 80.5 | 133.9 | 134.6 | -156 | 76.7 | 0 | 0 | 0 | 119.5 | E223 | L221-E223 HydrophobicContact CD1-CG 4.11Å; L221-E223 HydrophobicContact CD2-CG 4.2Å; L221-E223 HydrophobicContact CG-CG 4.2Å |
| 222 | L | 25.5 | Very low | 28 | Very low | 171 Ų | 171 | 144.1 Ų | 144.1 | 90% | 0.895 | 77% | 0.768 | S | S | * | * | | | trans | -144.9 | 125 | 141.8 | -122.1 | 167.3 | 0 | 0 | 0 | 107.8 | | |
| 223 | E | 26.5 | Very low | 28.5 | Very low | 151 Ų | 151 | 144.9 Ų | 144.9 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | | | trans | -97.1 | 150.5 | 167.1 | -63.9 | 160.4 | 124.5 | 0 | 0 | 107.7 | L221 | L221-E223 HydrophobicContact CD1-CG 4.11Å; L221-E223 HydrophobicContact CD2-CG 4.2Å; L221-E223 HydrophobicContact CG-CG 4.2Å |
| 224 | D | 29.5 | Very low | 29.1 | Very low | 159 Ų | 159 | 147.3 Ų | 147.3 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | | | | -158.7 | 164 | 126.9 | -139.9 | -23.7 | 0 | 0 | 0 | 111.3 | | |
| 225 | E | 30.3 | Very low | 29.6 | Very low | 167 Ų | 167 | 148 Ų | 148 | 78% | 0.78 | 78% | 0.784 | S | S | * | * | | | trans | -89.4 | 151.6 | -174.6 | -55 | 178.3 | 72.8 | 0 | 0 | 112.9 | | |
| 226 | T | 28.6 | Very low | 30.2 | Very low | 142 Ų | 142 | 148.5 Ų | 148.5 | 87% | 0.871 | 79% | 0.786 | S | S | * | * | | | | -169.6 | 169.2 | 129.5 | 12.7 | 0 | 0 | 0 | 0 | 114.4 | | |
| 227 | Q | 25.7 | Very low | 30.6 | Very low | 144 Ų | 144 | 148.6 Ų | 148.6 | 67% | 0.673 | 79% | 0.787 | S | S | * | * | | | trans | -78.7 | 164.5 | -164.8 | -67.1 | 157.4 | -108.4 | 0 | 0 | 117.3 | | |
| 228 | E | 28.8 | Very low | 31.1 | Very low | 153 Ų | 153 | 149.9 Ų | 149.9 | 72% | 0.715 | 79% | 0.791 | S | S | * | * | | | trans | 71.2 | 157.4 | 138.6 | -81.9 | 145.4 | -143.8 | 0 | 0 | 121.1 | | |
| 229 | E | 24.8 | Very low | 31.9 | Very low | 186 Ų | 186 | 149.7 Ų | 149.7 | 87% | 0.869 | 78% | 0.784 | S | S | * | * | | | trans | 26 | 143.2 | 161.5 | -66.4 | -174.3 | 143.2 | 0 | 0 | 119.4 | | |
| 230 | S | 31.8 | Very low | 32.2 | Very low | 93 Ų | 93 | 146.2 Ų | 146.2 | 65% | 0.65 | 78% | 0.783 | S | S | * | * | | | cis | 171.4 | -169.1 | 0.8 | -174.3 | 0 | 0 | 0 | 0 | 103.3 | | |
| 231 | D | 35.5 | Very low | 32.6 | Very low | 132 Ų | 132 | 143.4 Ų | 143.4 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | | | trans | 70.8 | 124.9 | 148.1 | -75 | 28.6 | 0 | 0 | 0 | 121.2 | | |
| 232 | E | 33 | Very low | 32.9 | Very low | 153 Ų | 153 | 148.1 Ų | 148.1 | 72% | 0.715 | 79% | 0.787 | S | S | * | * | | | trans | 67.4 | 114.2 | 134.9 | -49.8 | -73.5 | 86.5 | 0 | 0 | 121.8 | | |
| 233 | E | 34.5 | Very low | 33.4 | Very low | 165 Ų | 165 | 148.4 Ų | 148.4 | 77% | 0.771 | 79% | 0.788 | S | S | * | * | | | | 62.6 | 104.7 | 128.1 | -58.4 | -154.3 | 151.8 | 0 | 0 | 123.2 | | |
| 234 | D | 40.6 | Very low | 33.7 | Very low | 156 Ų | 156 | 151.8 Ų | 151.8 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | | | | 74.9 | 178.1 | 116.5 | -112.1 | -21.9 | 0 | 0 | 0 | 123.5 | | |
| 235 | E | 40 | Very low | 34.1 | Very low | 186 Ų | 186 | 153.7 Ų | 153.7 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | | | trans | 79.5 | 106 | 175.3 | -58.3 | -146.3 | 144.5 | 0 | 0 | 120.5 | | |
| 236 | E | 41.5 | Very low | 34.2 | Very low | 198 Ų | 198 | 155.1 Ų | 155.1 | 93% | 0.925 | 80% | 0.799 | S | S | * | * | | | trans | -32.4 | 165.2 | 159.7 | -46.5 | -176.4 | 142.5 | 0 | 0 | 118.9 | | |
| 237 | G | 37.1 | Very low | 34.6 | Very low | 71 Ų | 71 | 152.7 Ų | 152.7 | 73% | 0.732 | 79% | 0.787 | S | S | * | * | | | trans | 160.7 | 148.9 | 136.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 238 | A | 35.5 | Very low | 35.2 | Very low | 99 Ų | 99 | 152.9 Ų | 152.9 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | trans | 49.1 | 95.8 | 162.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 239 | E | 38.3 | Very low | 35.5 | Very low | 173 Ų | 173 | 155.5 Ų | 155.5 | 81% | 0.808 | 79% | 0.792 | S | S | * | * | | | | 66.2 | 138 | 54.2 | -149.9 | -126.3 | 120.8 | 0 | 0 | 115.1 | | |
| 240 | S | 35 | Very low | 36.4 | Very low | 109 Ų | 109 | 155.8 Ų | 155.8 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | | | trans | 63.7 | 141.1 | 173.4 | -83.1 | 0 | 0 | 0 | 0 | 117.8 | | |
| 241 | G | 33.4 | Very low | 36.8 | Very low | 67 Ų | 67 | 159.4 Ų | 159.4 | 69% | 0.691 | 80% | 0.802 | S | S | * | * | | | cis | 142.9 | 163 | -3.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 242 | R | 35.6 | Very low | 36.8 | Very low | 235 Ų | 235 | 156.8 Ų | 156.8 | 89% | 0.887 | 81% | 0.806 | S | S | * | * | | | trans | 66.7 | 65.5 | 161.5 | -156.4 | -179.1 | -161.9 | 155.1 | 5.7 | 117.3 | R244 | R242-R244 PolarHBondContact O-N 3.43Š|
| 243 | I | 36.2 | Very low | 36.7 | Very low | 177 Ų | 177 | 154.1 Ų | 154.1 | 91% | 0.908 | 81% | 0.811 | S | S | * | * | | | trans | -45 | 133.6 | 156 | 44.4 | 169.2 | 0 | 0 | 0 | 112.5 | | |
| 244 | R | 32 | Very low | 36.6 | Very low | 222 Ų | 222 | 151.9 Ų | 151.9 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | | | trans | -150.6 | 95.1 | 172.1 | -167.4 | 177.8 | -176.3 | -172.8 | -1 | 111.7 | R242 | R242-R244 PolarHBondContact O-N 3.43Š|
| 245 | F | 38.4 | Very low | 36.8 | Very low | 200 Ų | 200 | 149.5 Ų | 149.5 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | | | trans | 22 | 116.3 | 161.8 | -56.8 | -87.9 | 0 | 0 | 0 | 119.9 | | |
| 246 | K | 32.9 | Very low | 36.5 | Very low | 197 Ų | 197 | 152 Ų | 152 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | | | trans | -168.5 | 109.3 | 135.1 | -84.1 | -124.1 | 176.1 | -173.3 | 0 | 106.7 | | |
| 247 | S | 36 | Very low | 36.8 | Very low | 90 Ų | 90 | 149.8 Ų | 149.8 | 63% | 0.629 | 79% | 0.794 | S | S | * | * | | | | 81 | 125.6 | 78.7 | 70.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 248 | E | 37.8 | Very low | 37 | Very low | 148 Ų | 148 | 151 Ų | 151 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | | | trans | 68.3 | 122.3 | 144.4 | -160.2 | -163.9 | 128 | 0 | 0 | 117.2 | | |
| 249 | R | 35 | Very low | 37.1 | Very low | 208 Ų | 208 | 153.1 Ų | 153.1 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | | | | -167.7 | 166.7 | 73.5 | -167.9 | 162 | -77 | -175.9 | -4.1 | 112.3 | | |
| 250 | K | 44.8 | Very low | 37.3 | Very low | 192 Ų | 192 | 150.2 Ų | 150.2 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | | | trans | -75.9 | 146.8 | 166.6 | -68.2 | 178.1 | 178.4 | 175.9 | 0 | 110.2 | | |
| 251 | D | 39.3 | Very low | 37.7 | Very low | 170 Ų | 170 | 148.6 Ų | 148.6 | 91% | 0.909 | 79% | 0.793 | S | S | * | * | | | trans | -153.7 | 158.2 | 142.8 | -92.9 | -45.7 | 0 | 0 | 0 | 109 | | |
| 252 | G | 35.7 | Very low | 38.2 | Very low | 77 Ų | 77 | 150.5 Ų | 150.5 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | | | trans | -171.2 | 130.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 253 | A | 30.2 | Very low | 38.8 | Very low | 97 Ų | 97 | 149.4 Ų | 149.4 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | | | trans | -147.1 | 127.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 254 | V | 34.4 | Very low | 39.4 | Very low | 118 Ų | 118 | 150 Ų | 150 | 72% | 0.715 | 79% | 0.794 | S | S | * | * | | | trans | 38.7 | 94.3 | 147.8 | -163.6 | 0 | 0 | 0 | 0 | 120.3 | | |
| 255 | V | 43.3 | Very low | 40.3 | Very low | 106 Ų | 106 | 150.9 Ų | 150.9 | 64% | 0.642 | 80% | 0.797 | S | S | * | * | | | | 28.9 | 124.4 | 121.6 | -174.5 | 0 | 0 | 0 | 0 | 120.1 | L257 | V255-L257 HydrophobicContact CG1-CD1 4.31Å; V255-L257 HydrophobicContact CG1-CG 3.91Å |
| 256 | R | 33.4 | Very low | 40.1 | Very low | 239 Ų | 239 | 149.6 Ų | 149.6 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | | | trans | -132.7 | 123.8 | 130.2 | -89.8 | -169.8 | 169.3 | 82.6 | -0.3 | 110.9 | A258 | R256-A258 PolarHBondContact O-N 3.29Å; R256-A258 VanDerWaalsContact O-N 3.15Å |
| 257 | L | 47.7 | Very low | 40.9 | Very low | 151 Ų | 151 | 147.2 Ų | 147.2 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | | | trans | -85.4 | 78 | -177 | -76.3 | 164.4 | 0 | 0 | 0 | 111.7 | V255 | V255-L257 HydrophobicContact CG1-CD1 4.31Å; V255-L257 HydrophobicContact CG1-CG 3.91Å |
| 258 | A | 42.5 | Very low | 41.7 | Very low | 95 Ų | 95 | 146.9 Ų | 146.9 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -138.6 | 10.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | R256 | R256-A258 PolarHBondContact O-N 3.29Å; R256-A258 VanDerWaalsContact O-N 3.15Å |
| 259 | D | 37.4 | Very low | 42.2 | Very low | 145 Ų | 145 | 149.2 Ų | 149.2 | 78% | 0.775 | 80% | 0.796 | S | S | * | * | | | trans | -136.7 | 27.7 | -177 | -128.8 | -31.5 | 0 | 0 | 0 | 114 | G261 | D259-G261 PolarHBondContact O-N 3.49Š|
| 260 | S | 42.7 | Very low | 42.8 | Very low | 111 Ų | 111 | 144 Ų | 144 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | 31.9 | -174.6 | -54.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 261 | G | 42.3 | Very low | 43 | Very low | 75 Ų | 75 | 142.3 Ų | 142.3 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.6 | -26.5 | -166.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | D259 | D259-G261 PolarHBondContact O-N 3.49Š|
| 262 | S | 44.7 | Very low | 44.2 | Very low | 108 Ų | 108 | 141.9 Ų | 141.9 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | | | trans | -120 | 26.4 | -163.6 | -150.4 | 0 | 0 | 0 | 0 | 116.3 | K264 | S262-K264 PolarHBondContact O-N 3.42Š|
| 263 | K | 48.3 | Very low | 45.1 | Very low | 211 Ų | 211 | 141.9 Ų | 141.9 | 92% | 0.917 | 76% | 0.76 | S | S | * | * | | | trans | -90 | 75.4 | 177.3 | -74.9 | -175.4 | 176.7 | 177 | 0 | 113.1 | | |
| 264 | K | 48.9 | Very low | 46.5 | Very low | 190 Ų | 190 | 140.8 Ų | 140.8 | 83% | 0.826 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -156.1 | 112.8 | 163 | -115.8 | 166.5 | -173.3 | 173 | 0 | 113.9 | S262 | S262-K264 PolarHBondContact O-N 3.42Š|
| 265 | R | 50.9 | Low | 48 | Very low | 240 Ų | 240 | 140.7 Ų | 140.7 | 91% | 0.906 | 74% | 0.742 | S | S | * | * | | | trans | 81.5 | 96.4 | -178.4 | -56.3 | 176 | -67.7 | -169.6 | 0.9 | 115 | | |
| 266 | H | 33 | Very low | 49 | Very low | 174 Ų | 174 | 142.6 Ų | 142.6 | 81% | 0.806 | 74% | 0.742 | S | S | * | * | | | trans | -91.3 | 103.2 | 165.8 | -175.5 | -67 | 0 | 0 | 0 | 108.4 | | |
| 267 | I | 51.3 | Low | 50.7 | Low | 146 Ų | 146 | 132.8 Ų | 132.8 | 75% | 0.749 | 71% | 0.712 | S | S | * | * | | | trans | -92.3 | 127.6 | 166.1 | -58.2 | 175.8 | 0 | 0 | 0 | 106.2 | E269 | I267-E269 PolarHBondContact O-N 3.27Š|
| 268 | P | 51.3 | Low | 51.7 | Low | 83 Ų | 83 | 130.1 Ų | 130.1 | 54% | 0.539 | 69% | 0.694 | S | S | . | * | | | trans | -63.6 | 118.9 | 172.5 | -20.2 | 33.2 | 0 | 0 | 0 | 110.7 | T270 | P268-T270 PolarHBondContact O-N 3.11Š|
| 269 | E | 49.1 | Very low | 53.5 | Low | 198 Ų | 198 | 132.3 Ų | 132.3 | 93% | 0.925 | 69% | 0.685 | S | S | * | * | | | trans | -80.8 | 45.6 | 176.5 | -163.5 | 170.9 | -159.7 | 0 | 0 | 111.1 | I267 | I267-E269 PolarHBondContact O-N 3.27Š|
| 270 | T | 47.4 | Very low | 55.7 | Low | 97 Ų | 97 | 129.3 Ų | 129.3 | 60% | 0.595 | 67% | 0.669 | S | S | * | * | | | trans | -133.3 | 33.2 | -168.3 | 67.3 | 0 | 0 | 0 | 0 | 112.2 | P268 E272 | P268-T270 PolarHBondContact O-N 3.11Å; T270-E272 PolarHBondContact O-N 3.44Å; T270-E272 VanDerWaalsContact O-N 3.15Å |
| 271 | L | 48.8 | Very low | 57.6 | Low | 157 Ų | 157 | 128.7 Ų | 128.7 | 82% | 0.822 | 66% | 0.657 | S | S | * | * | | | trans | -82.6 | 71.6 | 158.8 | -174.4 | 63.6 | 0 | 0 | 0 | 108.1 | L273 | L271-L273 PolarHBondContact O-N 3.38Š|
| 272 | E | 63.9 | Low | 59.1 | Low | 161 Ų | 161 | 131.3 Ų | 131.3 | 75% | 0.752 | 65% | 0.65 | S | S | * | * | | | trans | -63.6 | 108.6 | 172.6 | -69.2 | 175.7 | -160 | 0 | 0 | 108.5 | T270 S274 | T270-E272 PolarHBondContact O-N 3.44Å; T270-E272 VanDerWaalsContact O-N 3.15Å; E272-S274 PolarHBondContact O-N 3.27Å |
| 273 | L | 55.9 | Low | 60.9 | Low | 77 Ų | 77 | 131.7 Ų | 131.7 | 40% | 0.403 | 64% | 0.64 | S | S | . | * | | | trans | -60 | 132.1 | 168.2 | -65 | 178.8 | 0 | 0 | 0 | 107.8 | L271 A277 K278 L281 | L271-L273 PolarHBondContact O-N 3.38Å; L273-A277 HydrophobicContact CB-CB 4.05Å; L273-A277 HydrophobicContact CD2-CB 4.41Å; L273-K278 HydrophobicContact CB-CG 3.94Å; L273-K278 VanDerWaalsContact O-CE 3.29Å; L273-K278 WeakPolarHBondContact O-CE 3.43Å; L273-K278 PolarHBondContact O-NZ 2.73Å; L273-L281 HydrophobicContact CD1-CD2 4.07Å |
| 274 | S | 59.8 | Low | 62.5 | Low | 74 Ų | 74 | 127.6 Ų | 127.6 | 52% | 0.517 | 62% | 0.623 | S | S | . | * | | | trans | -56.3 | 152.8 | 172.4 | 62.8 | 0 | 0 | 0 | 0 | 109.9 | E272 K276 A277 K278 | E272-S274 PolarHBondContact O-N 3.27Å; S274-K276 CarbonylContact O-C 3.22Å; S274-K276 PolarHBondContact O-N 2.99Å; S274-K276 VanDerWaalsContact O-N 3.12Å; S274-A277 CarbonylContact O-C 3.52Å; S274-A277 WeakPolarHBondContact O-CA 2.77Å; S274-A277 WeakPolarHBondContact O-CB 2.91Å; S274-A277 PolarHBondContact O-N 3.47Å; S274-A277 PolarHBondContact OG-N 3.49Å; S274-K278 PolarHBondContact O-N 3.38Å |
| 275 | D | 65.4 | Low | 64.1 | Low | 116 Ų | 116 | 123.6 Ų | 123.6 | 62% | 0.62 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.2 | -23.9 | -173.3 | -52.5 | -69.3 | 0 | 0 | 0 | 112.5 | K278 K279 | D275-K278 IonicContact OD1-NZ 3.62Å; D275-K278 PolarHBondContact OD1-NZ 3.05Å; D275-K279 VanDerWaalsContact O-CB 3.29Å; D275-K279 WeakPolarHBondContact O-CB 3.43Å; D275-K279 PolarHBondContact O-N 2.83Å |
| 276 | K | 63.5 | Low | 65.2 | Low | 147 Ų | 147 | 115.6 Ų | 115.6 | 64% | 0.639 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -62.5 | -51.3 | 161.9 | -178.1 | 171 | 179.1 | 174 | 0 | 112.5 | S274 K278 K279 D280 | S274-K276 CarbonylContact O-C 3.22Å; S274-K276 PolarHBondContact O-N 2.99Å; S274-K276 VanDerWaalsContact O-N 3.12Å; K276-K278 VanDerWaalsContact C-N 3.27Å; K276-K278 PolarHBondContact O-N 3.43Å; K276-K279 CarbonylContact O-C 3.6Å; K276-K279 PolarHBondContact O-N 3.25Å; K276-K279 VanDerWaalsContact O-N 3.09Å; K276-D280 WeakPolarHBondContact CE-OD1 3.13Å; K276-D280 VanDerWaalsContact CE-OD2 3.3Å; K276-D280 WeakPolarHBondContact CE-OD2 3.43Å; K276-D280 WeakPolarHBondContact CG-OD1 3.36Å; K276-D280 WeakPolarHBondContact O-CB 3.5Å; K276-D280 VanDerWaalsContact O-CG 3.24Å; K276-D280 PolarHBondContact O-N 3.27Å |
| 277 | A | 69.7 | Low | 67.2 | Low | 33 Ų | 33 | 113.1 Ų | 113.1 | 27% | 0.273 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.2 | -29.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L273 S274 L281 | L273-A277 HydrophobicContact CB-CB 4.05Å; L273-A277 HydrophobicContact CD2-CB 4.41Å; S274-A277 CarbonylContact O-C 3.52Å; S274-A277 WeakPolarHBondContact O-CA 2.77Å; S274-A277 WeakPolarHBondContact O-CB 2.91Å; S274-A277 PolarHBondContact O-N 3.47Å; S274-A277 PolarHBondContact OG-N 3.49Å; A277-L281 WeakPolarHBondContact O-CB 3.3Å; A277-L281 PolarHBondContact O-N 3.21Å; A277-L281 VanDerWaalsContact O-N 3.12Å |
| 278 | K | 69.6 | Low | 68.2 | Low | 94 Ų | 94 | 108.9 Ų | 108.9 | 41% | 0.409 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.9 | -45.1 | 168.3 | -60.9 | -175.3 | -175.6 | 93.6 | 0 | 111.2 | L273 S274 D275 K276 L281 M282 | L273-K278 HydrophobicContact CB-CG 3.94Å; L273-K278 VanDerWaalsContact O-CE 3.29Å; L273-K278 WeakPolarHBondContact O-CE 3.43Å; L273-K278 PolarHBondContact O-NZ 2.73Å; S274-K278 PolarHBondContact O-N 3.38Å; D275-K278 IonicContact OD1-NZ 3.62Å; D275-K278 PolarHBondContact OD1-NZ 3.05Å; K276-K278 VanDerWaalsContact C-N 3.27Å; K276-K278 PolarHBondContact O-N 3.43Å; K278-L281 PolarHBondContact O-N 2.79Å; K278-M282 WeakPolarHBondContact O-CB 3.42Å; K278-M282 PolarHBondContact O-N 3.41Å |
| 279 | K | 78.8 | Confident | 69.2 | Low | 141 Ų | 141 | 112 Ų | 112 | 61% | 0.613 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66.6 | -48.3 | 177.8 | -174.9 | 172.9 | 179.5 | 173.8 | 0 | 112.3 | D275 K276 L281 M282 E283 | D275-K279 VanDerWaalsContact O-CB 3.29Å; D275-K279 WeakPolarHBondContact O-CB 3.43Å; D275-K279 PolarHBondContact O-N 2.83Å; K276-K279 CarbonylContact O-C 3.6Å; K276-K279 PolarHBondContact O-N 3.25Å; K276-K279 VanDerWaalsContact O-N 3.09Å; K279-L281 PolarHBondContact O-N 2.78Å; K279-M282 CarbonylContact O-C 3.3Å; K279-M282 PolarHBondContact O-N 3.26Å; K279-M282 VanDerWaalsContact O-N 3.11Å; K279-E283 WeakPolarHBondContact O-CB 3.49Å; K279-E283 PolarHBondContact O-N 2.73Å |
| 280 | D | 83.5 | Confident | 70 | Confident | 82 Ų | 82 | 108 Ų | 108 | 44% | 0.439 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -58 | -37.8 | 175.7 | -66 | 4.5 | 0 | 0 | 0 | 110.6 | K276 F284 | K276-D280 WeakPolarHBondContact CE-OD1 3.13Å; K276-D280 VanDerWaalsContact CE-OD2 3.3Å; K276-D280 WeakPolarHBondContact CE-OD2 3.43Å; K276-D280 WeakPolarHBondContact CG-OD1 3.36Å; K276-D280 WeakPolarHBondContact O-CB 3.5Å; K276-D280 VanDerWaalsContact O-CG 3.24Å; K276-D280 PolarHBondContact O-N 3.27Å; D280-F284 VanDerWaalsContact O-CB 3.23Å; D280-F284 WeakPolarHBondContact O-CB 3.13Å; D280-F284 PolarHBondContact O-N 2.85Å |
| 281 | L | 82.3 | Confident | 70.9 | Confident | 98 Ų | 98 | 109.7 Ų | 109.7 | 51% | 0.513 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -69.5 | -41.8 | 174.2 | 179.2 | 62.2 | 0 | 0 | 0 | 112.6 | L273 A277 K278 K279 F284 E285 | L273-L281 HydrophobicContact CD1-CD2 4.07Å; A277-L281 WeakPolarHBondContact O-CB 3.3Å; A277-L281 PolarHBondContact O-N 3.21Å; A277-L281 VanDerWaalsContact O-N 3.12Å; K278-L281 PolarHBondContact O-N 2.79Å; K279-L281 PolarHBondContact O-N 2.78Å; L281-F284 PolarHBondContact O-N 3.07Å; L281-E285 PolarHBondContact O-N 3.06Å |
| 282 | M | 75.6 | Confident | 71.5 | Confident | 130 Ų | 130 | 110.6 Ų | 110.6 | 64% | 0.64 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.4 | -43 | 176.4 | -175.4 | -176.9 | -68.7 | 0 | 0 | 111.6 | K278 K279 E285 V286 | K278-M282 WeakPolarHBondContact O-CB 3.42Å; K278-M282 PolarHBondContact O-N 3.41Å; K279-M282 CarbonylContact O-C 3.3Å; K279-M282 PolarHBondContact O-N 3.26Å; K279-M282 VanDerWaalsContact O-N 3.11Å; M282-E285 PolarHBondContact O-N 2.88Å; M282-V286 WeakPolarHBondContact O-CB 3.42Å; M282-V286 VanDerWaalsContact O-CG2 3.31Å; M282-V286 WeakPolarHBondContact O-CG2 3.44Å; M282-V286 PolarHBondContact O-N 3.39Å |
| 283 | E | 81.5 | Confident | 71.1 | Confident | 116 Ų | 116 | 109.8 Ų | 109.8 | 54% | 0.542 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64 | -42.7 | 175.4 | -171.9 | 177.8 | 146.1 | 0 | 0 | 110.8 | K279 V286 Q287 | K279-E283 WeakPolarHBondContact O-CB 3.49Å; K279-E283 PolarHBondContact O-N 2.73Å; E283-V286 PolarHBondContact O-N 2.76Å; E283-Q287 VanDerWaalsContact O-CB 3.32Å; E283-Q287 WeakPolarHBondContact O-CB 3.15Å; E283-Q287 PolarHBondContact O-N 3.27Å |
| 284 | F | 81.3 | Confident | 70.8 | Confident | 125 Ų | 125 | 113 Ų | 113 | 55% | 0.548 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.2 | -41 | 172.6 | -177.8 | -97.6 | 0 | 0 | 0 | 112.4 | D280 L281 Q287 E288 | D280-F284 VanDerWaalsContact O-CB 3.23Å; D280-F284 WeakPolarHBondContact O-CB 3.13Å; D280-F284 PolarHBondContact O-N 2.85Å; L281-F284 PolarHBondContact O-N 3.07Å; F284-Q287 PolarHBondContact O-N 3.26Å; F284-E288 HydrophobicContact CE1-CG 4.22Å; F284-E288 HydrophobicContact CZ-CG 4.29Å; F284-E288 WeakPolarHBondContact O-CB 3.37Å; F284-E288 PolarHBondContact O-N 3.44Å |
| 285 | E | 83.7 | Confident | 70.5 | Confident | 106 Ų | 106 | 119.1 Ų | 119.1 | 50% | 0.495 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -65.9 | -40.6 | 175.2 | -158.2 | -160.3 | 131.3 | 0 | 0 | 111.7 | L281 M282 E288 R289 | L281-E285 PolarHBondContact O-N 3.06Å; M282-E285 PolarHBondContact O-N 2.88Å; E285-E288 PolarHBondContact O-N 2.83Å; E285-R289 WeakPolarHBondContact O-CB 3.49Å; E285-R289 PolarHBondContact O-N 2.77Å; E285-R289 IonicContact OE1-CZ 3.25Å; E285-R289 IonicContact OE1-NE 3.99Å; E285-R289 IonicContact OE1-NH2 3.42Å; E285-R289 PolarHBondContact OE1-NH2 3.2Å |
| 286 | V | 72.9 | Confident | 69.1 | Low | 73 Ų | 73 | 121.5 Ų | 121.5 | 44% | 0.442 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.3 | -41.4 | 174.4 | 168.1 | 0 | 0 | 0 | 0 | 110.9 | M282 E283 R289 Q290 | M282-V286 WeakPolarHBondContact O-CB 3.42Å; M282-V286 VanDerWaalsContact O-CG2 3.31Å; M282-V286 WeakPolarHBondContact O-CG2 3.44Å; M282-V286 PolarHBondContact O-N 3.39Å; E283-V286 PolarHBondContact O-N 2.76Å; V286-R289 CarbonylContact O-C 3.58Å; V286-R289 WeakPolarHBondContact O-CB 3.31Å; V286-R289 PolarHBondContact O-N 2.96Å; V286-Q290 WeakPolarHBondContact O-CG 3.43Å; V286-Q290 PolarHBondContact O-N 3.03Å |
| 287 | Q | 74.8 | Confident | 67.8 | Low | 122 Ų | 122 | 118.7 Ų | 118.7 | 57% | 0.57 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -69.3 | -39.1 | 177.6 | -168.1 | 178.7 | 86.6 | 0 | 0 | 112.1 | E283 F284 R289 K291 | E283-Q287 VanDerWaalsContact O-CB 3.32Å; E283-Q287 WeakPolarHBondContact O-CB 3.15Å; E283-Q287 PolarHBondContact O-N 3.27Å; F284-Q287 PolarHBondContact O-N 3.26Å; Q287-R289 VanDerWaalsContact C-N 3.34Å; Q287-K291 VanDerWaalsContact O-CB 3.29Å; Q287-K291 WeakPolarHBondContact O-CB 3.48Å; Q287-K291 PolarHBondContact O-N 3.35Å |
| 288 | E | 73.5 | Confident | 66.1 | Low | 57 Ų | 57 | 120.5 Ų | 120.5 | 27% | 0.266 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -60.9 | -42.5 | 167.5 | -106.3 | -71 | 123.2 | 0 | 0 | 111.2 | F284 E285 K291 R292 | F284-E288 HydrophobicContact CE1-CG 4.22Å; F284-E288 HydrophobicContact CZ-CG 4.29Å; F284-E288 WeakPolarHBondContact O-CB 3.37Å; F284-E288 PolarHBondContact O-N 3.44Å; E285-E288 PolarHBondContact O-N 2.83Å; E288-K291 PolarHBondContact O-N 2.91Å; E288-K291 WeakPolarHBondContact OE1-CE 3.31Å; E288-K291 IonicContact OE1-NZ 3.12Å; E288-K291 PolarHBondContact OE1-NZ 3.26Å; E288-R292 VanDerWaalsContact O-CB 3.28Å; E288-R292 WeakPolarHBondContact O-CB 3.37Å; E288-R292 WeakPolarHBondContact O-CG 3.2Å; E288-R292 PolarHBondContact O-N 3.4Å; E288-R292 WeakPolarHBondContact OE2-CD 3.44Å |
| 289 | R | 72.1 | Confident | 64.5 | Low | 149 Ų | 149 | 128.1 Ų | 128.1 | 56% | 0.562 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -66.1 | -40.3 | -179.6 | -168.5 | 176.5 | -70.1 | -130.7 | 5.1 | 111.8 | E285 V286 Q287 R292 Q293 | E285-R289 WeakPolarHBondContact O-CB 3.49Å; E285-R289 PolarHBondContact O-N 2.77Å; E285-R289 IonicContact OE1-CZ 3.25Å; E285-R289 IonicContact OE1-NE 3.99Å; E285-R289 IonicContact OE1-NH2 3.42Å; E285-R289 PolarHBondContact OE1-NH2 3.2Å; V286-R289 CarbonylContact O-C 3.58Å; V286-R289 WeakPolarHBondContact O-CB 3.31Å; V286-R289 PolarHBondContact O-N 2.96Å; Q287-R289 VanDerWaalsContact C-N 3.34Å; R289-R292 PolarHBondContact O-N 3.32Å; R289-Q293 WeakPolarHBondContact O-CB 3.3Å; R289-Q293 WeakPolarHBondContact O-CG 2.95Å; R289-Q293 PolarHBondContact O-N 2.65Å |
| 290 | Q | 66 | Low | 62.3 | Low | 113 Ų | 113 | 125 Ų | 125 | 53% | 0.528 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -64 | -48.3 | 170.1 | -73.2 | -178.6 | 6.4 | 0 | 0 | 111.6 | V286 R292 Q293 N294 | V286-Q290 WeakPolarHBondContact O-CG 3.43Å; V286-Q290 PolarHBondContact O-N 3.03Å; Q290-R292 PolarHBondContact O-N 3.43Å; Q290-Q293 WeakPolarHBondContact O-CB 3.14Å; Q290-Q293 PolarHBondContact O-N 3.13Å; Q290-Q293 VanDerWaalsContact O-N 3.08Å; Q290-N294 PolarHBondContact O-N 3.45Å |
| 291 | K | 65.3 | Low | 60 | Low | 132 Ų | 132 | 133.4 Ų | 133.4 | 57% | 0.574 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -62.5 | -27 | 178.3 | -164.4 | -177.3 | 72.7 | -157.4 | 0 | 112.7 | Q287 E288 | Q287-K291 VanDerWaalsContact O-CB 3.29Å; Q287-K291 WeakPolarHBondContact O-CB 3.48Å; Q287-K291 PolarHBondContact O-N 3.35Å; E288-K291 PolarHBondContact O-N 2.91Å; E288-K291 WeakPolarHBondContact OE1-CE 3.31Å; E288-K291 IonicContact OE1-NZ 3.12Å; E288-K291 PolarHBondContact OE1-NZ 3.26Å |
| 292 | R | 62.7 | Low | 57.6 | Low | 177 Ų | 177 | 132 Ų | 132 | 67% | 0.668 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -84.7 | -30.5 | 172.9 | -71.6 | 174.2 | 65.7 | -176.9 | 3.4 | 113.3 | E288 R289 Q290 N294 R295 | E288-R292 VanDerWaalsContact O-CB 3.28Å; E288-R292 WeakPolarHBondContact O-CB 3.37Å; E288-R292 WeakPolarHBondContact O-CG 3.2Å; E288-R292 PolarHBondContact O-N 3.4Å; E288-R292 WeakPolarHBondContact OE2-CD 3.44Å; R289-R292 PolarHBondContact O-N 3.32Å; Q290-R292 PolarHBondContact O-N 3.43Å; R292-N294 VanDerWaalsContact C-N 3.3Å; R292-R295 CarbonylContact O-C 3.5Å; R292-R295 PolarHBondContact O-N 3.07Å; R292-R295 VanDerWaalsContact O-N 3.08Å |
| 293 | Q | 54.6 | Low | 55.7 | Low | 143 Ų | 143 | 131.2 Ų | 131.2 | 67% | 0.668 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -62 | -39.5 | 169.3 | -81.9 | 174 | -28.9 | 0 | 0 | 111.2 | R289 Q290 R295 | R289-Q293 WeakPolarHBondContact O-CB 3.3Å; R289-Q293 WeakPolarHBondContact O-CG 2.95Å; R289-Q293 PolarHBondContact O-N 2.65Å; Q290-Q293 WeakPolarHBondContact O-CB 3.14Å; Q290-Q293 PolarHBondContact O-N 3.13Å; Q290-Q293 VanDerWaalsContact O-N 3.08Å; Q293-R295 PolarHBondContact O-N 2.95Å; Q293-R295 VanDerWaalsContact O-N 3.1Å |
| 294 | N | 49.9 | Very low | 53.3 | Low | 144 Ų | 144 | 129.1 Ų | 129.1 | 77% | 0.77 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | 6.7 | 172.8 | -73.3 | -6.7 | 0 | 0 | 0 | 114.5 | Q290 R292 | Q290-N294 PolarHBondContact O-N 3.45Å; R292-N294 VanDerWaalsContact C-N 3.3Å |
| 295 | R | 52.9 | Low | 51 | Low | 203 Ų | 203 | 132.6 Ų | 132.6 | 77% | 0.766 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -136.4 | 74.3 | 171.3 | -77.6 | -167.9 | 173 | -175.8 | -2.1 | 112.6 | R292 Q293 | R292-R295 CarbonylContact O-C 3.5Å; R292-R295 PolarHBondContact O-N 3.07Å; R292-R295 VanDerWaalsContact O-N 3.08Å; Q293-R295 PolarHBondContact O-N 2.95Å; Q293-R295 VanDerWaalsContact O-N 3.1Å |
| 296 | Q | 37.9 | Very low | 48.6 | Very low | 166 Ų | 166 | 131.3 Ų | 131.3 | 78% | 0.776 | 72% | 0.72 | S | S | * | * | | | trans | 59.5 | 115.8 | 161.6 | -81.2 | 68.4 | 28.3 | 0 | 0 | 117.5 | G298 | Q296-G298 PolarHBondContact O-N 3.49Š|
| 297 | G | 35.9 | Very low | 46.9 | Very low | 88 Ų | 88 | 132 Ų | 132 | 91% | 0.907 | 74% | 0.742 | S | S | * | * | | | trans | -66.3 | 124.3 | 157.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 298 | G | 33.4 | Very low | 44.9 | Very low | 71 Ų | 71 | 130.1 Ų | 130.1 | 73% | 0.732 | 76% | 0.756 | S | S | * | * | | | trans | -136.5 | 16 | -168.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | Q296 | Q296-G298 PolarHBondContact O-N 3.49Š|
| 299 | R | 35.1 | Very low | 43.1 | Very low | 255 Ų | 255 | 130.8 Ų | 130.8 | 96% | 0.962 | 78% | 0.778 | S | S | * | * | | | trans | 52.9 | 92.5 | 171 | -56.3 | -179.4 | -174.1 | -101.6 | 1.2 | 116.8 | | |
| 300 | G | 32.7 | Very low | 41.4 | Very low | 75 Ų | 75 | 135 Ų | 135 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | | | trans | -130.9 | -4.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 301 | R | 35.9 | Very low | 40 | Very low | 258 Ų | 258 | 133.4 Ų | 133.4 | 97% | 0.974 | 81% | 0.807 | S | S | * | * | | | trans | 63.7 | 160.3 | -171.4 | -54.9 | -178.2 | 178 | -128.4 | -1.8 | 115 | | |
| 302 | G | 32.3 | Very low | 38.7 | Very low | 69 Ų | 69 | 130 Ų | 130 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | | | trans | -129.3 | -176.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 303 | A | 34.2 | Very low | 37.4 | Very low | 113 Ų | 113 | 126.2 Ų | 126.2 | 93% | 0.934 | 80% | 0.795 | S | S | * | * | | | trans | 59.4 | 114.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 304 | G | 33 | Very low | 36.4 | Very low | 73 Ų | 73 | 122.3 Ų | 122.3 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | | | trans | 149.7 | 88.6 | 159 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 305 | M | 31.8 | Very low | 35.9 | Very low | 198 Ų | 198 | 125.7 Ų | 125.7 | 98% | 0.975 | 80% | 0.796 | S | S | * | * | | | trans | 59.8 | 147.8 | 147 | -68.8 | -66.2 | 178.1 | 0 | 0 | 122 | | |
| 306 | G | 34.4 | Very low | 34.9 | Very low | 78 Ų | 78 | 119.6 Ų | 119.6 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | trans | 101 | 95.8 | 149.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 307 | G | 36.3 | Very low | 34.5 | Very low | 89 Ų | 89 | 114.8 Ų | 114.8 | 92% | 0.918 | 79% | 0.791 | S | S | * | * | | | trans | -82.2 | 143 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 308 | G | 33.7 | Very low | 34 | Very low | 82 Ų | 82 | 120.3 Ų | 120.3 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | | | trans | -177.1 | 133.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 309 | G | 35.4 | Very low | 33.9 | Very low | 71 Ų | 71 | 123.1 Ų | 123.1 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | | | trans | -116 | -175.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 310 | R | 35.7 | Very low | 33.7 | Very low | 237 Ų | 237 | 114.4 Ų | 114.4 | 89% | 0.894 | 79% | 0.788 | S | S | * | * | | | trans | 74 | 128.3 | -165.6 | -47.1 | 176.9 | -175.8 | -144.9 | -2.3 | 109.6 | | |
| 311 | G | 36.8 | Very low | 33.5 | Very low | 79 Ų | 79 | 121.9 Ų | 121.9 | 81% | 0.814 | 80% | 0.8 | S | S | * | * | | | | 87.7 | 117 | 54.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 312 | G | 37.9 | Very low | 33.1 | Very low | 60 Ų | 60 | 113.5 Ų | 113.5 | 62% | 0.619 | 79% | 0.794 | S | S | * | * | | | cis | 99.8 | 90.9 | 11.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 313 | R | 34.9 | Very low | 33.4 | Very low | 98 Ų | 98 | 118.6 Ų | 118.6 | 37% | 0.37 | 80% | 0.802 | S | S | . | * | | | trans | -176.1 | 153 | 161.4 | -76.5 | -135 | 175.3 | -30.5 | 8.4 | 110.6 | I823 | R313-I823 WeakPolarHBondContact CD-O 3.18Å; R313-I823 PolarHBondContact NE-O 2.7Å |
| 314 | G | 34.7 | Very low | 33.2 | Very low | 62 Ų | 62 | 117.9 Ų | 117.9 | 64% | 0.639 | 80% | 0.795 | S | S | * | * | | | trans | 83.9 | 112 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 315 | R | 38.1 | Very low | 33.3 | Very low | 215 Ų | 215 | 120.7 Ų | 120.7 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | | | cis | 69.8 | 111.6 | 17.9 | -148.3 | -171.2 | -150.6 | -109.2 | 6.7 | 114.1 | | |
| 316 | G | 32 | Very low | 33.4 | Very low | 74 Ų | 74 | 119 Ų | 119 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | | | trans | 168.3 | 95.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 317 | G | 30.1 | Very low | 33.3 | Very low | 65 Ų | 65 | 124.9 Ų | 124.9 | 67% | 0.67 | 78% | 0.779 | S | S | * | * | | | trans | -72.4 | 176.2 | 143.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 318 | F | 26.3 | Very low | 32.9 | Very low | 204 Ų | 204 | 124.5 Ų | 124.5 | 90% | 0.895 | 77% | 0.774 | S | S | * | * | | | cis | -149.7 | 163.1 | 16.4 | -76.8 | -98.7 | 0 | 0 | 0 | 111.4 | | |
| 319 | S | 31 | Very low | 32.7 | Very low | 130 Ų | 130 | 124 Ų | 124 | 91% | 0.909 | 77% | 0.77 | S | S | * | * | | | trans | -160.4 | 133.5 | 149.4 | -78.6 | 0 | 0 | 0 | 0 | 108.4 | | |
| 320 | G | 30.4 | Very low | 32.6 | Very low | 73 Ų | 73 | 128.6 Ų | 128.6 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | | | cis | -178.3 | -165.2 | -2.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 321 | F | 28.2 | Very low | 32.7 | Very low | 231 Ų | 231 | 129.1 Ų | 129.1 | 100% | 1.013 | 77% | 0.774 | S | S | * | * | | | trans | -76.2 | 140.9 | 170.3 | -79.5 | -103.8 | 0 | 0 | 0 | 111.3 | | |
| 322 | G | 28.3 | Very low | 32.5 | Very low | 83 Ų | 83 | 135.9 Ų | 135.9 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | | | trans | 174.7 | 113.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 323 | M | 38.4 | Very low | 32.8 | Very low | 176 Ų | 176 | 141.4 Ų | 141.4 | 87% | 0.867 | 78% | 0.782 | S | S | * | * | | | trans | -110.6 | 142.9 | -175.3 | -173.8 | 69.5 | 79.2 | 0 | 0 | 111.7 | | |
| 324 | A | 30.3 | Very low | 32.9 | Very low | 97 Ų | 97 | 144.3 Ų | 144.3 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | | | trans | -162 | 119.3 | 160 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 325 | D | 33.9 | Very low | 32.7 | Very low | 133 Ų | 133 | 149.5 Ų | 149.5 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | | | trans | -75.4 | 161 | 166.4 | -49 | -95.3 | 0 | 0 | 0 | 112.5 | | |
| 326 | F | 34.1 | Very low | 32.5 | Very low | 163 Ų | 163 | 144.9 Ų | 144.9 | 72% | 0.715 | 80% | 0.8 | S | S | * | * | | | | 173.4 | 131.6 | 123.8 | -97.5 | -57.7 | 0 | 0 | 0 | 114.5 | | |
| 327 | R | 32 | Very low | 32.5 | Very low | 201 Ų | 201 | 149.1 Ų | 149.1 | 76% | 0.758 | 80% | 0.8 | S | S | * | * | | | trans | 58.2 | 133.5 | 152.7 | -73.2 | 170.4 | -83.4 | -111 | -2.5 | 117.1 | | |
| 328 | G | 29.4 | Very low | 32.6 | Very low | 80 Ų | 80 | 151.4 Ų | 151.4 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | | | cis | 87.4 | 129.2 | 21.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 329 | G | 29.7 | Very low | 32.7 | Very low | 73 Ų | 73 | 149.5 Ų | 149.5 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | | | cis | 166 | -176.3 | -1.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 330 | Q | 33.3 | Very low | 33.5 | Very low | 166 Ų | 166 | 148.4 Ų | 148.4 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | | | trans | 61.6 | 117.4 | 168 | -74.2 | -78.2 | -22.3 | 0 | 0 | 119.7 | | |
| 331 | R | 36.9 | Very low | 33.6 | Very low | 249 Ų | 249 | 151.4 Ų | 151.4 | 94% | 0.94 | 79% | 0.787 | S | S | * | * | | | | -171.3 | 162.8 | 121.1 | -99.5 | 153.1 | -165.2 | -96.1 | -0.3 | 112.3 | | |
| 332 | R | 33.4 | Very low | 33.9 | Very low | 220 Ų | 220 | 148.7 Ų | 148.7 | 83% | 0.83 | 78% | 0.78 | S | S | * | * | | | trans | -122.3 | 154.6 | -172.5 | -45.1 | 175.9 | -174.3 | -164.1 | 0.7 | 111.8 | | |
| 333 | K | 44.2 | Very low | 34 | Very low | 176 Ų | 176 | 147.7 Ų | 147.7 | 77% | 0.765 | 77% | 0.769 | S | S | * | * | | | | 155.1 | 120.9 | 114.6 | -92.4 | -168.5 | 168.4 | -168.7 | 0 | 116.6 | | |
| 334 | M | 36.4 | Very low | 33.7 | Very low | 159 Ų | 159 | 146.2 Ų | 146.2 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | | | | 26.3 | 136.6 | 129.6 | -43.2 | 175.1 | -29 | 0 | 0 | 122.3 | | |
| 335 | H | 30.4 | Very low | 33.9 | Very low | 171 Ų | 171 | 149.3 Ų | 149.3 | 79% | 0.792 | 77% | 0.765 | S | S | * | * | | | | -159.7 | -179.9 | 116 | -156.5 | 11.8 | 0 | 0 | 0 | 111.6 | | |
| 336 | D | 33.7 | Very low | 33.7 | Very low | 118 Ų | 118 | 148.9 Ų | 148.9 | 63% | 0.631 | 77% | 0.771 | S | S | * | * | | | trans | -115.2 | 167.9 | -157.2 | -52.4 | -109.6 | 0 | 0 | 0 | 114.7 | | |
| 337 | Q | 32.1 | Very low | 33.9 | Very low | 164 Ų | 164 | 146 Ų | 146 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | | | | 172.6 | 138 | 110.8 | -92.3 | -179.7 | 117.6 | 0 | 0 | 118.8 | | |
| 338 | T | 31.3 | Very low | 34 | Very low | 112 Ų | 112 | 145.3 Ų | 145.3 | 69% | 0.687 | 77% | 0.768 | S | S | * | * | | | trans | 68.5 | 103.9 | 143.8 | 55.5 | 0 | 0 | 0 | 0 | 125.1 | | |
| 339 | L | 29.8 | Very low | 35.1 | Very low | 164 Ų | 164 | 146.1 Ų | 146.1 | 86% | 0.859 | 76% | 0.758 | S | S | * | * | | | | 42.2 | 157.4 | 113 | -66.1 | 169.7 | 0 | 0 | 0 | 122.7 | | |
| 340 | P | 48 | Very low | 35.5 | Very low | 108 Ų | 108 | 146.5 Ų | 146.5 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | | | cis | -124.6 | -163.2 | -15.6 | 33.3 | -9.8 | 0 | 0 | 0 | 111.6 | | |
| 341 | L | 31.2 | Very low | 35.5 | Very low | 135 Ų | 135 | 142.6 Ų | 142.6 | 71% | 0.707 | 74% | 0.74 | S | S | * | * | | | cis | -172.6 | 134.7 | 33.6 | -177 | 67.1 | 0 | 0 | 0 | 114.1 | | |
| 342 | M | 34.7 | Very low | 35.2 | Very low | 175 Ų | 175 | 137.6 Ų | 137.6 | 86% | 0.862 | 72% | 0.721 | S | S | * | * | | | trans | 55.1 | 140.9 | 159.1 | -68 | 172.3 | -179.3 | 0 | 0 | 121.1 | | |
| 343 | G | 31.4 | Very low | 35.1 | Very low | 61 Ų | 61 | 134.4 Ų | 134.4 | 63% | 0.629 | 72% | 0.718 | S | S | * | * | | | cis | 159.7 | 159.8 | -11.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 344 | N | 32 | Very low | 34.7 | Very low | 146 Ų | 146 | 131.8 Ų | 131.8 | 78% | 0.781 | 72% | 0.719 | S | S | * | * | | | trans | 76.7 | 148.5 | 164.1 | -51.6 | -32.9 | 0 | 0 | 0 | 119.1 | | |
| 345 | M | 34.9 | Very low | 34.3 | Very low | 161 Ų | 161 | 129 Ų | 129 | 79% | 0.793 | 72% | 0.715 | S | S | * | * | | | cis | -179.5 | 136.6 | -36.7 | -123.8 | -163.8 | -65.4 | 0 | 0 | 109.9 | | |
| 346 | C | 28.3 | Very low | 35.2 | Very low | 125 Ų | 125 | 126.2 Ų | 126.2 | 85% | 0.845 | 71% | 0.712 | S | S | * | * | | | | 172.1 | 148.4 | 128.8 | -156.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 347 | I | 38.3 | Very low | 35.1 | Very low | 102 Ų | 102 | 127.5 Ų | 127.5 | 52% | 0.523 | 71% | 0.714 | S | S | . | * | | | trans | -149.5 | 144.7 | -161.5 | -65.5 | 159.8 | 0 | 0 | 0 | 110.5 | L63 | L63-I347 HydrophobicContact CD1-CB 4.43Å; L63-I347 HydrophobicContact CD1-CD1 3.99Å; L63-I347 HydrophobicContact CD1-CG1 3.92Å; L63-I347 HydrophobicContact CD1-CG2 3.61Å; L63-I347 HydrophobicContact CD2-CD1 4.28Å; L63-I347 HydrophobicContact CD2-CG2 4.48Å |
| 348 | Q | 33.8 | Very low | 34.9 | Very low | 187 Ų | 187 | 127.4 Ų | 127.4 | 87% | 0.874 | 71% | 0.713 | S | S | * | * | | | | 175.7 | 156.2 | 125.7 | -95.3 | -169.1 | 59.2 | 0 | 0 | 115.9 | | |
| 349 | P | 54.2 | Low | 34.8 | Very low | 96 Ų | 96 | 128.4 Ų | 128.4 | 62% | 0.623 | 71% | 0.71 | S | S | * | * | | | trans | -137.4 | -155.1 | -163.3 | 36.7 | -11.5 | 0 | 0 | 0 | 115.5 | | |
| 350 | S | 36.7 | Very low | 34.9 | Very low | 82 Ų | 82 | 127.8 Ų | 127.8 | 57% | 0.573 | 70% | 0.703 | S | S | * | * | | | trans | 113.1 | 128.2 | 141.6 | -66.8 | 0 | 0 | 0 | 0 | 123 | | |
| 351 | S | 34.5 | Very low | 33.9 | Very low | 83 Ų | 83 | 128.5 Ų | 128.5 | 58% | 0.58 | 70% | 0.7 | S | S | * | * | | | trans | 69.1 | 152.3 | 139.3 | -55.9 | 0 | 0 | 0 | 0 | 120.7 | | |
| 352 | R | 31 | Very low | 33.8 | Very low | 144 Ų | 144 | 129.8 Ų | 129.8 | 54% | 0.543 | 70% | 0.703 | S | S | . | * | | | cis | -155.2 | 171 | 8 | -148.2 | 173.6 | 167.6 | -175.5 | -7 | 112.8 | D67 D68 | D67-R352 VanDerWaalsContact C-NH2 3.32Å; D67-R352 VanDerWaalsContact O-CZ 3.26Å; D67-R352 PolarHBondContact O-NE 3.27Å; D67-R352 PolarHBondContact O-NH2 2.82Å; D67-R352 IonicContact OD1-CZ 2.8Å; D67-R352 IonicContact OD1-NE 3.18Å; D67-R352 IonicContact OD1-NH1 3.24Å; D67-R352 PolarHBondContact OD1-NH1 3.38Å; D67-R352 IonicContact OD1-NH2 2.66Å; D67-R352 PolarHBondContact OD1-NH2 3.07Å; D67-R352 IonicContact OD2-CZ 2.97Å; D67-R352 VanDerWaalsContact OD2-CZ 3.25Å; D67-R352 IonicContact OD2-NE 3.23Å; D67-R352 IonicContact OD2-NH1 3.01Å; D67-R352 PolarHBondContact OD2-NH1 3.38Å; D67-R352 IonicContact OD2-NH2 2.95Å; D68-R352 PolarHBondContact O-NH2 2.86Å |
| 353 | M | 30 | Very low | 34.1 | Very low | 154 Ų | 154 | 126 Ų | 126 | 76% | 0.759 | 69% | 0.693 | S | S | * | * | | | trans | -88 | -172.8 | 168.9 | -94.5 | -77.8 | -82.2 | 0 | 0 | 111.1 | | |
| 354 | P | 35.6 | Very low | 34 | Very low | 121 Ų | 121 | 131.2 Ų | 131.2 | 79% | 0.786 | 70% | 0.701 | S | S | * | * | | | cis | -147.2 | -157.4 | 25.3 | 45.3 | -21.9 | 0 | 0 | 0 | 118.4 | | |
| 355 | S | 28.6 | Very low | 34.3 | Very low | 100 Ų | 100 | 130.7 Ų | 130.7 | 70% | 0.699 | 69% | 0.694 | S | S | * | * | | | trans | -91.6 | -157.9 | -177.5 | -136.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 356 | P | 49.1 | Very low | 34.4 | Very low | 113 Ų | 113 | 129 Ų | 129 | 73% | 0.734 | 68% | 0.684 | S | S | * | * | | | cis | -141.4 | 167.6 | 7.9 | 43.5 | -23.5 | 0 | 0 | 0 | 119.8 | | |
| 357 | H | 31.6 | Very low | 35.1 | Very low | 144 Ų | 144 | 130.5 Ų | 130.5 | 67% | 0.667 | 68% | 0.678 | S | S | * | * | | | trans | 39.5 | 133.8 | 136 | -156.6 | 89.2 | 0 | 0 | 0 | 123.7 | | |
| 358 | Q | 28.3 | Very low | 35.9 | Very low | 162 Ų | 162 | 130.9 Ų | 130.9 | 76% | 0.757 | 69% | 0.687 | S | S | * | * | | | trans | -173 | 169.5 | 130.9 | -100.7 | -66 | 8.2 | 0 | 0 | 113.4 | | |
| 359 | Q | 29.8 | Very low | 36.2 | Very low | 133 Ų | 133 | 127 Ų | 127 | 62% | 0.621 | 68% | 0.68 | S | S | * | * | | | trans | -102.3 | 174.1 | -153.9 | -59.2 | 166.4 | 24.9 | 0 | 0 | 118.3 | | |
| 360 | H | 30 | Very low | 35.5 | Very low | 152 Ų | 152 | 133.5 Ų | 133.5 | 70% | 0.704 | 69% | 0.692 | S | S | * | * | | | trans | 100.3 | 130.1 | 133.1 | -123.5 | 73.4 | 0 | 0 | 0 | 122.9 | | |
| 361 | L | 28.2 | Very low | 36.3 | Very low | 122 Ų | 122 | 134.5 Ų | 134.5 | 64% | 0.639 | 70% | 0.697 | S | S | * | * | | | trans | 31.6 | 128.3 | 154.4 | -94.7 | 56.2 | 0 | 0 | 0 | 125.9 | | |
| 362 | Q | 29.4 | Very low | 36.5 | Very low | 163 Ų | 163 | 142.8 Ų | 142.8 | 76% | 0.762 | 72% | 0.715 | S | S | * | * | | | | 39 | 99.5 | 121.8 | -60.8 | -177.3 | 14.5 | 0 | 0 | 120.9 | | |
| 363 | S | 41 | Very low | 36.3 | Very low | 94 Ų | 94 | 139.2 Ų | 139.2 | 66% | 0.657 | 72% | 0.723 | S | S | * | * | | | trans | 35.5 | 124.6 | 133.2 | 59.6 | 0 | 0 | 0 | 0 | 122.1 | | |
| 364 | H | 28.7 | Very low | 37.1 | Very low | 171 Ų | 171 | 138.4 Ų | 138.4 | 79% | 0.792 | 73% | 0.73 | S | S | * | * | | | | -179.2 | 131.5 | 112.3 | -99.4 | 73.4 | 0 | 0 | 0 | 115 | | |
| 365 | Q | 37.2 | Very low | 37.4 | Very low | 136 Ų | 136 | 140.3 Ų | 140.3 | 64% | 0.636 | 73% | 0.732 | S | S | * | * | | | trans | 48 | 122.3 | 136.2 | -63.9 | -81 | 68.6 | 0 | 0 | 125.2 | | |
| 366 | H | 37.4 | Very low | 38.4 | Very low | 126 Ų | 126 | 140.4 Ų | 140.4 | 58% | 0.583 | 73% | 0.73 | S | S | * | * | | | | 94.4 | 128.4 | 123.8 | -79.3 | -2.8 | 0 | 0 | 0 | 126.2 | | |
| 367 | H | 43.7 | Very low | 37.6 | Very low | 155 Ų | 155 | 143.3 Ų | 143.3 | 72% | 0.718 | 73% | 0.732 | S | S | * | * | | | trans | 83.7 | 160.6 | 140.6 | -63.5 | -11.1 | 0 | 0 | 0 | 121.5 | | |
| 368 | P | 55.3 | Low | 37.6 | Very low | 111 Ų | 111 | 142.8 Ų | 142.8 | 72% | 0.721 | 73% | 0.73 | S | S | * | * | | | cis | -143.5 | 162.2 | -21.9 | 33.9 | -12.2 | 0 | 0 | 0 | 120.2 | | |
| 369 | S | 38.9 | Very low | 37.6 | Very low | 104 Ų | 104 | 141.5 Ų | 141.5 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | | | trans | 83.2 | 124.2 | 133.5 | 66.4 | 0 | 0 | 0 | 0 | 128.8 | | |
| 370 | R | 39.7 | Very low | 37.9 | Very low | 234 Ų | 234 | 141.1 Ų | 141.1 | 88% | 0.883 | 72% | 0.722 | S | S | * | * | | | trans | 78.2 | 164.6 | 132.8 | -86.7 | -176.2 | 177.8 | -130.1 | -0.8 | 123 | | |
| 371 | P | 55.3 | Low | 37.9 | Very low | 103 Ų | 103 | 136.9 Ų | 136.9 | 67% | 0.669 | 72% | 0.719 | S | S | * | * | | | cis | -141.2 | 162 | -17.5 | 36.5 | -17.2 | 0 | 0 | 0 | 119.3 | | |
| 372 | R | 37.6 | Very low | 38.1 | Very low | 257 Ų | 257 | 141 Ų | 141 | 97% | 0.97 | 73% | 0.726 | S | S | * | * | | | trans | 46.8 | 156.2 | 152.4 | -77.1 | -178.1 | 166 | 179.3 | -5.3 | 121.2 | | |
| 373 | G | 26.4 | Very low | 38.8 | Very low | 69 Ų | 69 | 138.4 Ų | 138.4 | 71% | 0.711 | 72% | 0.723 | S | S | * | * | | | cis | 153.1 | 175.8 | 2.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 374 | P | 48.3 | Very low | 38.2 | Very low | 137 Ų | 137 | 141.2 Ų | 141.2 | 89% | 0.89 | 73% | 0.73 | S | S | * | * | | | cis | -129.4 | -151.3 | -5.8 | 44.7 | -26 | 0 | 0 | 0 | 114.2 | | |
| 375 | L | 40.1 | Very low | 38.6 | Very low | 161 Ų | 161 | 138.1 Ų | 138.1 | 84% | 0.843 | 72% | 0.724 | S | S | * | * | | | trans | -104.7 | 176.8 | -165.5 | -92.4 | 171.1 | 0 | 0 | 0 | 113.1 | | |
| 376 | P | 50.2 | Low | 38.1 | Very low | 101 Ų | 101 | 139.2 Ų | 139.2 | 66% | 0.656 | 73% | 0.729 | S | S | * | * | | | cis | -138.4 | -160.7 | 33 | 45.7 | -25.1 | 0 | 0 | 0 | 114.7 | | |
| 377 | F | 32.3 | Very low | 37.5 | Very low | 175 Ų | 175 | 141 Ų | 141 | 77% | 0.768 | 74% | 0.738 | S | S | * | * | | | cis | -159.6 | 161.2 | 7.4 | -128.3 | 179.2 | 0 | 0 | 0 | 107.7 | | |
| 378 | Q | 31 | Very low | 36.8 | Very low | 132 Ų | 132 | 137.6 Ų | 137.6 | 62% | 0.617 | 74% | 0.737 | S | S | * | * | | | cis | -145.4 | -109.4 | -13.1 | -163.6 | -175.1 | -15.6 | 0 | 0 | 111.7 | | |
| 379 | E | 29.8 | Very low | 35.4 | Very low | 135 Ų | 135 | 140.7 Ų | 140.7 | 63% | 0.631 | 75% | 0.747 | S | S | * | * | | | trans | -157.6 | -172.5 | -160 | -60.1 | 163.8 | -88.9 | 0 | 0 | 108.6 | | |
| 380 | H | 34.5 | Very low | 35 | Very low | 125 Ų | 125 | 144.4 Ų | 144.4 | 58% | 0.579 | 75% | 0.752 | S | S | * | * | | | cis | -158.3 | 153.7 | -2.5 | -139.1 | 108.1 | 0 | 0 | 0 | 106.6 | R382 | H380-R382 WeakPolarHBondContact NE2-CD 3.19Å; H380-R382 WeakPolarHBondContact NE2-CG 3.41Å; H380-R382 PolarHBondContact NE2-NE 3.05Å |
| 381 | G | 30.2 | Very low | 35.9 | Very low | 63 Ų | 63 | 138.2 Ų | 138.2 | 65% | 0.649 | 74% | 0.743 | S | S | * | * | | | cis | 144.1 | 165.4 | -14 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 382 | R | 33.7 | Very low | 34.7 | Very low | 209 Ų | 209 | 141 Ų | 141 | 79% | 0.789 | 75% | 0.751 | S | S | * | * | | | trans | 71.1 | 179 | 161.8 | -58.2 | -171.1 | -176.8 | -96.2 | -1 | 116.9 | H380 | H380-R382 WeakPolarHBondContact NE2-CD 3.19Å; H380-R382 WeakPolarHBondContact NE2-CG 3.41Å; H380-R382 PolarHBondContact NE2-NE 3.05Å |
| 383 | P | 44.2 | Very low | 34.6 | Very low | 108 Ų | 108 | 132.9 Ų | 132.9 | 70% | 0.701 | 73% | 0.726 | S | S | * | * | | | | -134 | -146.3 | -74.6 | 42 | -24.2 | 0 | 0 | 0 | 112.3 | | |
| 384 | I | 27.5 | Very low | 36 | Very low | 154 Ų | 154 | 134.3 Ų | 134.3 | 79% | 0.79 | 72% | 0.723 | S | S | * | * | | | trans | 104.6 | 141.4 | 163.7 | -58 | -179.5 | 0 | 0 | 0 | 115.9 | | |
| 385 | P | 37.8 | Very low | 35.4 | Very low | 105 Ų | 105 | 131.8 Ų | 131.8 | 68% | 0.682 | 71% | 0.708 | S | S | * | * | | | trans | -108.1 | -167.9 | 175.6 | 40.7 | -30.6 | 0 | 0 | 0 | 113.4 | | |
| 386 | Q | 27 | Very low | 35.3 | Very low | 159 Ų | 159 | 131.4 Ų | 131.4 | 74% | 0.743 | 70% | 0.702 | S | S | * | * | | | trans | 86.7 | 151.4 | 171.9 | -51.5 | -168 | 17.6 | 0 | 0 | 118.8 | | |
| 387 | Q | 24.2 | Very low | 35.1 | Very low | 163 Ų | 163 | 133.9 Ų | 133.9 | 76% | 0.762 | 71% | 0.709 | S | S | * | * | | | trans | 51.8 | 118.4 | 144.9 | -73.6 | -173.4 | 83.1 | 0 | 0 | 122.6 | | |
| 388 | A | 28.7 | Very low | 35.4 | Very low | 84 Ų | 84 | 129.8 Ų | 129.8 | 69% | 0.694 | 71% | 0.708 | S | S | * | * | | | | 75.8 | 156.2 | 124.4 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 389 | L | 27 | Very low | 35.8 | Very low | 177 Ų | 177 | 130.8 Ų | 130.8 | 93% | 0.927 | 71% | 0.712 | S | S | * | * | | | trans | 77.5 | 152 | 164.4 | -61.8 | 168.5 | 0 | 0 | 0 | 119.7 | | |
| 390 | Q | 30.6 | Very low | 35.8 | Very low | 182 Ų | 182 | 134.7 Ų | 134.7 | 85% | 0.85 | 72% | 0.721 | S | S | * | * | | | trans | -92.5 | -164 | 171.3 | -52 | -178.5 | -3.5 | 0 | 0 | 108.4 | | |
| 391 | P | 58.6 | Low | 35.7 | Very low | 104 Ų | 104 | 134.1 Ų | 134.1 | 68% | 0.675 | 73% | 0.731 | S | S | * | * | | | cis | -142.8 | -156.1 | -0.2 | 41 | -18 | 0 | 0 | 0 | 114.9 | | |
| 392 | L | 30.1 | Very low | 37.3 | Very low | 162 Ų | 162 | 136.8 Ų | 136.8 | 85% | 0.848 | 74% | 0.737 | S | S | * | * | | | trans | 111.9 | 124.6 | 142.3 | -133.4 | 76.2 | 0 | 0 | 0 | 120.3 | | |
| 393 | L | 35.2 | Very low | 38.2 | Very low | 85 Ų | 85 | 132.3 Ų | 132.3 | 45% | 0.445 | 74% | 0.735 | S | S | . | * | | | trans | -77.1 | -172.3 | 171.4 | -69.3 | 150 | 0 | 0 | 0 | 112.7 | L686 | L393-L686 HydrophobicContact CD1-CB 3.74Å; L393-L686 HydrophobicContact CD1-CD1 4Å; L393-L686 HydrophobicContact CD2-CB 3.73Å; L393-L686 HydrophobicContact CG-CB 4.37Å |
| 394 | P | 55 | Low | 37.8 | Very low | 100 Ų | 100 | 135.7 Ų | 135.7 | 65% | 0.649 | 75% | 0.746 | S | S | * | * | | | cis | -132 | -109.5 | -39.3 | 34.2 | -13.3 | 0 | 0 | 0 | 111.4 | | |
| 395 | S | 35.6 | Very low | 38.2 | Very low | 83 Ų | 83 | 139.5 Ų | 139.5 | 58% | 0.58 | 75% | 0.751 | S | S | * | * | | | trans | 95.1 | 143.4 | 160.5 | -57.9 | 0 | 0 | 0 | 0 | 119.4 | | |
| 396 | H | 38.3 | Very low | 38.8 | Very low | 153 Ų | 153 | 139.8 Ų | 139.8 | 71% | 0.708 | 75% | 0.753 | S | S | * | * | | | cis | -163 | 147.9 | -8.8 | -97.3 | -18.4 | 0 | 0 | 0 | 109.9 | | |
| 397 | L | 45.8 | Very low | 38.9 | Very low | 154 Ų | 154 | 140.1 Ų | 140.1 | 81% | 0.806 | 75% | 0.754 | S | S | * | * | | | | 55.2 | 145.8 | 93 | -52.6 | 179.1 | 0 | 0 | 0 | 116.7 | | |
| 398 | A | 38.9 | Very low | 39.2 | Very low | 89 Ų | 89 | 138.6 Ų | 138.6 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | | | cis | -154.9 | -141.3 | -10.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 399 | H | 38.7 | Very low | 39.3 | Very low | 153 Ų | 153 | 141.3 Ų | 141.3 | 71% | 0.708 | 75% | 0.749 | S | S | * | * | | | cis | -171.7 | 160.5 | 6.8 | -164.7 | 46.2 | 0 | 0 | 0 | 113 | | |
| 400 | R | 30 | Very low | 39.5 | Very low | 216 Ų | 216 | 140.4 Ų | 140.4 | 82% | 0.815 | 74% | 0.74 | S | S | * | * | | | trans | 79.1 | 169.7 | 158.6 | -88 | 170.3 | -167.8 | -109.8 | -1.7 | 123.9 | | |
| 401 | S | 32.3 | Very low | 40.2 | Very low | 114 Ų | 114 | 136.8 Ų | 136.8 | 80% | 0.797 | 73% | 0.732 | S | S | * | * | | | | -146.6 | -176.5 | -129.8 | -44.6 | 0 | 0 | 0 | 0 | 115.8 | | |
| 402 | P | 63.2 | Low | 39.6 | Very low | 119 Ų | 119 | 137.1 Ų | 137.1 | 77% | 0.773 | 73% | 0.734 | S | S | * | * | | | trans | -109.6 | -169.1 | -147.3 | 46.1 | -42.1 | 0 | 0 | 0 | 117.7 | | |
| 403 | P | 52.7 | Low | 40.7 | Very low | 114 Ų | 114 | 134.7 Ų | 134.7 | 74% | 0.74 | 73% | 0.728 | S | S | * | * | | | | -157.9 | 178.4 | 98.3 | 44.9 | -26.4 | 0 | 0 | 0 | 119.8 | | |
| 404 | L | 35.9 | Very low | 41.2 | Very low | 179 Ų | 179 | 141 Ų | 141 | 94% | 0.937 | 75% | 0.746 | S | S | * | * | | | trans | 77 | 166.5 | 159.4 | -66.3 | 179.7 | 0 | 0 | 0 | 123.1 | | |
| 405 | R | 35.9 | Very low | 40.1 | Very low | 235 Ų | 235 | 142.7 Ų | 142.7 | 89% | 0.887 | 75% | 0.747 | S | S | * | * | | | trans | -151.9 | 156.6 | -165.8 | -146.7 | -168.2 | 180 | 178 | 0.4 | 109.9 | | |
| 406 | P | 51.8 | Low | 40 | Very low | 111 Ų | 111 | 146.5 Ų | 146.5 | 72% | 0.721 | 76% | 0.758 | S | S | * | * | | | | -156.1 | 173.2 | 87.5 | 41.9 | -22.9 | 0 | 0 | 0 | 117.5 | | |
| 407 | Q | 28 | Very low | 39.5 | Very low | 166 Ų | 166 | 144.4 Ų | 144.4 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | | | trans | 53.5 | 163.2 | 163.7 | -84 | 178.9 | -35.9 | 0 | 0 | 119.1 | | |
| 408 | L | 30.8 | Very low | 39 | Very low | 130 Ų | 130 | 141.8 Ų | 141.8 | 68% | 0.681 | 76% | 0.755 | S | S | * | * | | | cis | -134.8 | 121.1 | 2.7 | -162.8 | 61.8 | 0 | 0 | 0 | 106.1 | | |
| 409 | E | 31.7 | Very low | 39.6 | Very low | 142 Ų | 142 | 143.2 Ų | 143.2 | 66% | 0.664 | 76% | 0.756 | S | S | * | * | | | | 60.6 | 128.2 | 94.6 | -148.9 | 173.1 | 161.8 | 0 | 0 | 114.5 | | |
| 410 | Q | 29.8 | Very low | 40.3 | Very low | 158 Ų | 158 | 141.2 Ų | 141.2 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | | | cis | -142.4 | -177.3 | 7.1 | -127.4 | -172.6 | 68.9 | 0 | 0 | 110.1 | | |
| 411 | P | 45.3 | Very low | 40.9 | Very low | 105 Ų | 105 | 137 Ų | 137 | 68% | 0.682 | 76% | 0.757 | S | S | * | * | | | | -134 | -107.5 | -129 | 27.2 | 4.2 | 0 | 0 | 0 | 116.7 | | |
| 412 | P | 47.2 | Very low | 40.7 | Very low | 111 Ų | 111 | 135.9 Ų | 135.9 | 72% | 0.721 | 75% | 0.75 | S | S | * | * | | | | -129.9 | -144.8 | -122 | 49.2 | -27.7 | 0 | 0 | 0 | 112.8 | | |
| 413 | P | 52.9 | Low | 39.4 | Very low | 112 Ų | 112 | 139.9 Ų | 139.9 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | | | | -134.1 | -179.5 | -121.5 | 37.6 | -13.6 | 0 | 0 | 0 | 116.8 | | |
| 414 | R | 46.4 | Very low | 39.3 | Very low | 217 Ų | 217 | 139.8 Ų | 139.8 | 82% | 0.819 | 76% | 0.755 | S | S | * | * | | | trans | -11.9 | 128 | 142.7 | 175.3 | -150.6 | -69 | 165.3 | -4.8 | 115.8 | | |
| 415 | M | 30 | Very low | 38.9 | Very low | 135 Ų | 135 | 139.2 Ų | 139.2 | 67% | 0.665 | 75% | 0.747 | S | S | * | * | | | trans | -162.3 | 135.2 | 136.8 | -94.8 | -61 | 89.6 | 0 | 0 | 111.2 | | |
| 416 | M | 33.5 | Very low | 38.5 | Very low | 164 Ų | 164 | 135.5 Ų | 135.5 | 81% | 0.808 | 74% | 0.74 | S | S | * | * | | | trans | 43.8 | 156.2 | 149.5 | -49.6 | -52.4 | -178.5 | 0 | 0 | 120.6 | | |
| 417 | S | 28.7 | Very low | 37.6 | Very low | 108 Ų | 108 | 138.3 Ų | 138.3 | 76% | 0.755 | 74% | 0.743 | S | S | * | * | | | cis | -151.6 | 176.9 | 17.3 | 62.8 | 0 | 0 | 0 | 0 | 113.1 | | |
| 418 | S | 35.3 | Very low | 37.8 | Very low | 100 Ų | 100 | 138.5 Ų | 138.5 | 70% | 0.699 | 74% | 0.744 | S | S | * | * | | | trans | -66.8 | -178.1 | 158.6 | 51.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 419 | P | 50.9 | Low | 37.8 | Very low | 119 Ų | 119 | 140.2 Ų | 140.2 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | | | cis | -123.2 | -108.5 | 2.5 | 21.4 | 4.7 | 0 | 0 | 0 | 118.6 | | |
| 420 | P | 54.5 | Low | 37.8 | Very low | 110 Ų | 110 | 141.8 Ų | 141.8 | 71% | 0.714 | 76% | 0.755 | S | S | * | * | | | | -109 | -171 | -119.8 | 42.1 | -27.3 | 0 | 0 | 0 | 113.8 | | |
| 421 | P | 42.7 | Very low | 38.1 | Very low | 127 Ų | 127 | 140.2 Ų | 140.2 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | | | cis | -145.6 | -125.1 | 22.2 | 46.1 | -22.7 | 0 | 0 | 0 | 118.3 | | |
| 422 | S | 27.5 | Very low | 37.5 | Very low | 92 Ų | 92 | 140 Ų | 140 | 64% | 0.643 | 77% | 0.766 | S | S | * | * | | | trans | -90.8 | 143.2 | -159.4 | 48.5 | 0 | 0 | 0 | 0 | 117.9 | | |
| 423 | F | 35.6 | Very low | 36.9 | Very low | 203 Ų | 203 | 142.8 Ų | 142.8 | 89% | 0.89 | 77% | 0.769 | S | S | * | * | | | trans | 31.6 | 157.5 | 137.7 | -69.7 | -66.5 | 0 | 0 | 0 | 123 | | |
| 424 | P | 50 | Low | 36.2 | Very low | 111 Ų | 111 | 142.8 Ų | 142.8 | 72% | 0.721 | 77% | 0.769 | S | S | * | * | | | cis | -135.7 | -167.2 | -4.5 | 36 | -14.3 | 0 | 0 | 0 | 115.4 | | |
| 425 | Q | 27.5 | Very low | 36.1 | Very low | 168 Ų | 168 | 141.6 Ų | 141.6 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | | | trans | 123.7 | 103.6 | 133 | -155.9 | -179.8 | 9.1 | 0 | 0 | 120 | | |
| 426 | H | 28.6 | Very low | 37.1 | Very low | 157 Ų | 157 | 143.1 Ų | 143.1 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | trans | 58.7 | 156.3 | 146.2 | -76.4 | -118.3 | 0 | 0 | 0 | 123.9 | | |
| 427 | H | 32.9 | Very low | 37.9 | Very low | 170 Ų | 170 | 142.3 Ų | 142.3 | 79% | 0.787 | 78% | 0.778 | S | S | * | * | | | trans | 79 | 146.2 | 174.3 | -49.7 | 98.4 | 0 | 0 | 0 | 115.2 | | |
| 428 | Q | 31.3 | Very low | 38.8 | Very low | 170 Ų | 170 | 145.5 Ų | 145.5 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | | | cis | -141.7 | 169.1 | -0.8 | -144.9 | -176.9 | 103.5 | 0 | 0 | 111.9 | | |
| 429 | Q | 31.5 | Very low | 39.6 | Very low | 165 Ų | 165 | 147.5 Ų | 147.5 | 77% | 0.771 | 78% | 0.782 | S | S | * | * | | | trans | -62.9 | 142.5 | 164.2 | -58.8 | 161.6 | -3 | 0 | 0 | 110.5 | | |
| 430 | Q | 31.6 | Very low | 39 | Very low | 175 Ų | 175 | 147.4 Ų | 147.4 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | | -176.9 | 155.5 | 107.1 | -96.9 | -161.5 | 9 | 0 | 0 | 111.5 | | |
| 431 | P | 36.2 | Very low | 39.2 | Very low | 126 Ų | 126 | 147.3 Ų | 147.3 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | trans | -83.6 | 139.2 | -178 | 33.4 | -33.7 | 0 | 0 | 0 | 112.5 | | |
| 432 | A | 33.3 | Very low | 39.4 | Very low | 99 Ų | 99 | 148.9 Ų | 148.9 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | trans | -121.6 | 137.4 | 163.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 433 | Q | 34.2 | Very low | 40.2 | Very low | 170 Ų | 170 | 154.5 Ų | 154.5 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 147.7 | -173.8 | -69.1 | -69.5 | -5.7 | 0 | 0 | 113 | K435 | Q433-K435 PolarHBondContact O-N 3.45Š|
| 434 | P | 39.1 | Very low | 40.6 | Very low | 112 Ų | 112 | 156.5 Ų | 156.5 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -66 | 122.3 | -172 | 27.1 | -34.2 | 0 | 0 | 0 | 111.5 | | |
| 435 | K | 42.5 | Very low | 40.1 | Very low | 192 Ų | 192 | 154.7 Ų | 154.7 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 124.5 | 168.2 | -69.6 | -178.4 | 179.5 | 177 | 0 | 108.8 | Q433 I437 | Q433-K435 PolarHBondContact O-N 3.45Å; K435-I437 PolarHBondContact O-N 2.81Å; K435-I437 VanDerWaalsContact O-N 3.07Å |
| 436 | N | 51.8 | Low | 40.9 | Very low | 167 Ų | 167 | 152.8 Ų | 152.8 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | | | trans | -54.7 | 110.3 | -176.1 | -63.4 | -35.6 | 0 | 0 | 0 | 112 | | |
| 437 | I | 51.2 | Low | 41.2 | Very low | 147 Ų | 147 | 150.4 Ų | 150.4 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | | | trans | -115.5 | 108.2 | 166.6 | -60.7 | -177.7 | 0 | 0 | 0 | 108.2 | K435 I439 | K435-I437 PolarHBondContact O-N 2.81Å; K435-I437 VanDerWaalsContact O-N 3.07Å; I437-I439 HydrophobicContact CG2-CD1 4.44Å; I437-I439 HydrophobicContact CG2-CG1 4.05Å; I437-I439 PolarHBondContact O-N 2.81Å |
| 438 | H | 47.5 | Very low | 41.4 | Very low | 176 Ų | 176 | 151.7 Ų | 151.7 | 82% | 0.815 | 80% | 0.804 | S | S | * | * | | | trans | -81.5 | 107.1 | -180 | 179.6 | -150.8 | 0 | 0 | 0 | 109.4 | | |
| 439 | I | 50.5 | Low | 41.3 | Very low | 141 Ų | 141 | 149.7 Ų | 149.7 | 72% | 0.723 | 81% | 0.808 | S | S | * | * | | | trans | -109.1 | 118 | 174.4 | -56.9 | -177.1 | 0 | 0 | 0 | 108.8 | I437 | I437-I439 HydrophobicContact CG2-CD1 4.44Å; I437-I439 HydrophobicContact CG2-CG1 4.05Å; I437-I439 PolarHBondContact O-N 2.81Å |
| 440 | N | 38.3 | Very low | 41.5 | Very low | 117 Ų | 117 | 147.5 Ų | 147.5 | 63% | 0.626 | 81% | 0.811 | S | S | * | * | | | trans | -82.3 | 131.1 | -179.7 | -154.4 | 20.3 | 0 | 0 | 0 | 109.9 | H442 | N440-H442 PolarHBondContact O-N 3.38Å; N440-H442 VanDerWaalsContact O-N 3.12Å |
| 441 | P | 60.4 | Low | 41.8 | Very low | 109 Ų | 109 | 145 Ų | 145 | 71% | 0.708 | 81% | 0.807 | S | S | * | * | | | trans | -88.4 | 87.5 | -160.8 | 33.7 | -35.7 | 0 | 0 | 0 | 113.7 | | |
| 442 | H | 46.8 | Very low | 41.7 | Very low | 159 Ų | 159 | 147.5 Ų | 147.5 | 74% | 0.736 | 81% | 0.808 | S | S | * | * | | | trans | -132.3 | 86.2 | 174.6 | -69.8 | -22.6 | 0 | 0 | 0 | 113.5 | N440 | N440-H442 PolarHBondContact O-N 3.38Å; N440-H442 VanDerWaalsContact O-N 3.12Å |
| 443 | F | 43 | Very low | 41.8 | Very low | 210 Ų | 210 | 151.1 Ų | 151.1 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | | | trans | -158.6 | 124.8 | 137.5 | -126.5 | -84.5 | 0 | 0 | 0 | 110.8 | | |
| 444 | R | 43.7 | Very low | 42.6 | Very low | 245 Ų | 245 | 147.9 Ų | 147.9 | 93% | 0.925 | 80% | 0.804 | S | S | * | * | | | trans | -93.5 | 128 | 162.5 | -89.4 | -171.1 | 173.1 | -146 | 0.6 | 108.1 | | |
| 445 | G | 40.4 | Very low | 42.5 | Very low | 74 Ų | 74 | 150.5 Ų | 150.5 | 76% | 0.763 | 81% | 0.811 | S | S | * | * | | | trans | -116.3 | 131.4 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 446 | P | 45.2 | Very low | 42.3 | Very low | 128 Ų | 128 | 149.5 Ų | 149.5 | 83% | 0.831 | 81% | 0.811 | S | S | * | * | | | trans | -97.5 | 139.1 | 175.1 | 35.4 | -30.6 | 0 | 0 | 0 | 112 | | |
| 447 | A | 33.8 | Very low | 42.7 | Very low | 107 Ų | 107 | 146.4 Ų | 146.4 | 88% | 0.884 | 80% | 0.801 | S | S | * | * | | | trans | 177.2 | 155.6 | 143.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 448 | Q | 36.3 | Very low | 42.7 | Very low | 197 Ų | 197 | 145.9 Ų | 145.9 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | | | trans | -105.9 | 155.1 | 170.4 | -57.7 | 160 | -74.7 | 0 | 0 | 109.5 | | |
| 449 | S | 30.2 | Very low | 42.1 | Very low | 128 Ų | 128 | 141.9 Ų | 141.9 | 90% | 0.895 | 80% | 0.804 | S | S | * | * | | | trans | -156.7 | 164.7 | 148.1 | 65.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 450 | S | 35.8 | Very low | 41.3 | Very low | 118 Ų | 118 | 144.1 Ų | 144.1 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | | | trans | -120.8 | 156.1 | -164.5 | 51.2 | 0 | 0 | 0 | 0 | 114.7 | | |
| 451 | V | 37.6 | Very low | 41 | Very low | 122 Ų | 122 | 144.4 Ų | 144.4 | 74% | 0.739 | 82% | 0.822 | S | S | * | * | | | trans | -66.7 | 141.2 | 179.5 | 172.3 | 0 | 0 | 0 | 0 | 113.4 | | |
| 452 | Q | 35.3 | Very low | 39.7 | Very low | 180 Ų | 180 | 147.9 Ų | 147.9 | 84% | 0.841 | 83% | 0.829 | S | S | * | * | | | trans | -166.4 | 165.5 | 134.3 | -133.8 | 87.8 | 85 | 0 | 0 | 113.5 | | |
| 453 | M | 34.8 | Very low | 39.2 | Very low | 174 Ų | 174 | 144.6 Ų | 144.6 | 86% | 0.857 | 82% | 0.824 | S | S | * | * | | | trans | -120.7 | 165.5 | 178.1 | -82.1 | -80.2 | -76.5 | 0 | 0 | 111.2 | | |
| 454 | P | 51.6 | Low | 38.9 | Very low | 102 Ų | 102 | 145.6 Ų | 145.6 | 66% | 0.662 | 82% | 0.822 | S | S | * | * | | | trans | -117.8 | 156.6 | -163.7 | 40.4 | -30.9 | 0 | 0 | 0 | 116.8 | | |
| 455 | L | 35.5 | Very low | 39.6 | Very low | 167 Ų | 167 | 138.6 Ų | 138.6 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | | | trans | -163.8 | 128.5 | 152.3 | -140.3 | 69.8 | 0 | 0 | 0 | 116.6 | | |
| 456 | M | 39.6 | Very low | 39.6 | Very low | 171 Ų | 171 | 139.4 Ų | 139.4 | 84% | 0.842 | 81% | 0.808 | S | S | * | * | | | trans | 47.3 | 155.8 | 149.8 | -71 | -71.9 | 103 | 0 | 0 | 126.1 | | |
| 457 | P | 58.5 | Low | 39.3 | Very low | 103 Ų | 103 | 140.6 Ų | 140.6 | 67% | 0.669 | 81% | 0.812 | S | S | * | * | | | trans | -129.5 | 177.9 | -176 | 45.5 | -31.1 | 0 | 0 | 0 | 117.1 | | |
| 458 | P | 52.1 | Low | 39.5 | Very low | 135 Ų | 135 | 138.9 Ų | 138.9 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | | | trans | -128.1 | -170.1 | 157.1 | 38.1 | -23.7 | 0 | 0 | 0 | 114.7 | | |
| 459 | A | 34.6 | Very low | 40.4 | Very low | 93 Ų | 93 | 136.3 Ų | 136.3 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | | | trans | -131.5 | 154.1 | -155.2 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 460 | Q | 34.7 | Very low | 41 | Very low | 188 Ų | 188 | 138 Ų | 138 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | | | trans | 45.3 | 153.5 | 141.2 | -65.9 | -170.7 | 0.4 | 0 | 0 | 125.7 | | |
| 461 | S | 31.4 | Very low | 40.8 | Very low | 122 Ų | 122 | 143.6 Ų | 143.6 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | | | trans | 101.3 | 175.5 | 157.4 | 80.3 | 0 | 0 | 0 | 0 | 120.2 | | |
| 462 | Q | 32.1 | Very low | 40.9 | Very low | 182 Ų | 182 | 146.1 Ų | 146.1 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | | | trans | -158.8 | 170.1 | -136.2 | -85 | -154 | 107.1 | 0 | 0 | 114.3 | | |
| 463 | S | 37.7 | Very low | 41.6 | Very low | 90 Ų | 90 | 143.7 Ų | 143.7 | 63% | 0.629 | 80% | 0.803 | S | S | * | * | | | cis | -177.4 | -170.7 | -17.7 | 64.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 464 | R | 35.5 | Very low | 41.3 | Very low | 231 Ų | 231 | 138.2 Ų | 138.2 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | | | trans | 83.3 | 163.5 | 160.7 | -93.5 | -157.2 | 162.7 | -116.3 | -1.5 | 119.6 | | |
| 465 | P | 60 | Low | 40.6 | Very low | 99 Ų | 99 | 142.3 Ų | 142.3 | 64% | 0.643 | 81% | 0.807 | S | S | * | * | | | trans | -143.9 | 175.3 | -131.6 | 45.3 | -25.9 | 0 | 0 | 0 | 121.1 | | |
| 466 | A | 38.7 | Very low | 40.5 | Very low | 91 Ų | 91 | 137.8 Ų | 137.8 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | | | trans | 69.5 | 172.7 | 152.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 467 | V | 39.5 | Very low | 40 | Very low | 153 Ų | 153 | 135.6 Ų | 135.6 | 93% | 0.927 | 79% | 0.792 | S | S | * | * | | | cis | -152 | 165.3 | 13.2 | -146.2 | 0 | 0 | 0 | 0 | 112 | | |
| 468 | G | 37.9 | Very low | 38.8 | Very low | 70 Ų | 70 | 138.5 Ų | 138.5 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | | | trans | 178.9 | 152.6 | 164.6 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 469 | P | 56.3 | Low | 37.8 | Very low | 143 Ų | 143 | 138.4 Ų | 138.4 | 93% | 0.929 | 78% | 0.782 | S | S | * | * | | | trans | -121.3 | -173.8 | -158.6 | 42.9 | -30.3 | 0 | 0 | 0 | 118.8 | | |
| 470 | Q | 41.2 | Very low | 37.7 | Very low | 163 Ų | 163 | 140.8 Ų | 140.8 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | | | trans | -123 | 165.8 | -157.8 | -162.2 | -149 | 52 | 0 | 0 | 115 | | |
| 471 | R | 32.5 | Very low | 37.7 | Very low | 237 Ų | 237 | 139.2 Ų | 139.2 | 89% | 0.894 | 77% | 0.77 | S | S | * | * | | | trans | -155.6 | 151.5 | 151.3 | -111.7 | 175.7 | -170.2 | -163.1 | 1.9 | 115.3 | | |
| 472 | F | 39.3 | Very low | 37.9 | Very low | 174 Ų | 174 | 141.8 Ų | 141.8 | 76% | 0.763 | 77% | 0.771 | S | S | * | * | | | trans | -59.2 | 179.2 | -175.8 | -71.9 | -84.5 | 0 | 0 | 0 | 118.5 | | |
| 473 | P | 49.3 | Very low | 38.6 | Very low | 130 Ų | 130 | 139.2 Ų | 139.2 | 84% | 0.844 | 77% | 0.77 | S | S | * | * | | | cis | -127.9 | 177.4 | 4.9 | 40.9 | -25.1 | 0 | 0 | 0 | 115.9 | | |
| 474 | G | 29.5 | Very low | 38.2 | Very low | 59 Ų | 59 | 138 Ų | 138 | 61% | 0.608 | 77% | 0.772 | S | S | * | * | | | cis | 157.6 | 156.7 | -8.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 475 | L | 36.9 | Very low | 38.4 | Very low | 188 Ų | 188 | 134.3 Ų | 134.3 | 98% | 0.984 | 77% | 0.769 | S | S | * | * | | | trans | 62.2 | 144.6 | 175.2 | -63.5 | 154.2 | 0 | 0 | 0 | 116 | | |
| 476 | G | 32.3 | Very low | 37 | Very low | 72 Ų | 72 | 139.6 Ų | 139.6 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | | | cis | 165.2 | -174.2 | 0.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 477 | D | 30.5 | Very low | 36.9 | Very low | 125 Ų | 125 | 138.4 Ų | 138.4 | 67% | 0.668 | 78% | 0.779 | S | S | * | * | | | cis | -170.4 | 147.1 | -33.2 | -156 | -5.2 | 0 | 0 | 0 | 106.4 | | |
| 478 | F | 32.7 | Very low | 37.6 | Very low | 163 Ų | 163 | 136.7 Ų | 136.7 | 72% | 0.715 | 77% | 0.771 | S | S | * | * | | | trans | 60.2 | 171.7 | -179 | -50.1 | -77.3 | 0 | 0 | 0 | 116.9 | | |
| 479 | Q | 30.5 | Very low | 38.2 | Very low | 133 Ų | 133 | 139 Ų | 139 | 62% | 0.621 | 77% | 0.773 | S | S | * | * | | | cis | -142.2 | -179.9 | 2 | -156.9 | 83.5 | 69.3 | 0 | 0 | 111 | | |
| 480 | Q | 32.8 | Very low | 37.1 | Very low | 143 Ų | 143 | 139.4 Ų | 139.4 | 67% | 0.668 | 76% | 0.763 | S | S | * | * | | | trans | -64.6 | -173.5 | -179.9 | -61.7 | 153.3 | 23.7 | 0 | 0 | 113.2 | | |
| 481 | H | 35.1 | Very low | 37.2 | Very low | 155 Ų | 155 | 142.5 Ų | 142.5 | 72% | 0.718 | 77% | 0.767 | S | S | * | * | | | cis | -159.2 | 161.4 | 29.4 | -36.4 | -107.4 | 0 | 0 | 0 | 113.8 | | |
| 482 | M | 35.8 | Very low | 37.5 | Very low | 177 Ų | 177 | 136.7 Ų | 136.7 | 87% | 0.872 | 76% | 0.76 | S | S | * | * | | | trans | -85.9 | 175.9 | 153.9 | -74.5 | -83.1 | -175.5 | 0 | 0 | 109.4 | | |
| 483 | P | 46.7 | Very low | 38.4 | Very low | 128 Ų | 128 | 133.5 Ų | 133.5 | 83% | 0.831 | 76% | 0.757 | S | S | * | * | | | cis | -140.2 | -149.6 | 10.8 | 44.2 | -23.7 | 0 | 0 | 0 | 113.5 | | |
| 484 | G | 29.8 | Very low | 37.6 | Very low | 65 Ų | 65 | 135.5 Ų | 135.5 | 67% | 0.67 | 76% | 0.755 | S | S | * | * | | | trans | 126.3 | 59.5 | 130.7 | 0 | 0 | 0 | 0 | 0 | 121.7 | F486 | G484-F486 PolarHBondContact O-N 3Š|
| 485 | N | 39.5 | Very low | 37.8 | Very low | 153 Ų | 153 | 140.4 Ų | 140.4 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | | | trans | -45.9 | 122.6 | 165 | 168.6 | 107.4 | 0 | 0 | 0 | 115.7 | | |
| 486 | F | 30.9 | Very low | 37.3 | Very low | 209 Ų | 209 | 137.7 Ų | 137.7 | 92% | 0.917 | 75% | 0.746 | S | S | * | * | | | trans | -161.6 | 164.2 | 162.6 | -87.6 | -68.3 | 0 | 0 | 0 | 114.4 | G484 | G484-F486 PolarHBondContact O-N 3Š|
| 487 | G | 35.6 | Very low | 37.2 | Very low | 66 Ų | 66 | 141.6 Ų | 141.6 | 68% | 0.68 | 74% | 0.744 | S | S | * | * | | | trans | -173.8 | -162.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 488 | P | 55.4 | Low | 37.9 | Very low | 118 Ų | 118 | 141 Ų | 141 | 77% | 0.766 | 75% | 0.748 | S | S | * | * | | | cis | -106.9 | -166 | -27.7 | 42.7 | -29.4 | 0 | 0 | 0 | 111.5 | | |
| 489 | P | 49.5 | Very low | 38 | Very low | 117 Ų | 117 | 140.7 Ų | 140.7 | 76% | 0.76 | 75% | 0.752 | S | S | * | * | | | | -163.8 | 174.9 | 86.3 | 43 | -20.5 | 0 | 0 | 0 | 120 | | |
| 490 | Q | 33.9 | Very low | 37.8 | Very low | 153 Ų | 153 | 144.5 Ų | 144.5 | 72% | 0.715 | 76% | 0.761 | S | S | * | * | | | trans | 22.9 | 167.8 | 151.4 | -65.3 | -67.4 | 6 | 0 | 0 | 127 | | |
| 491 | R | 42.7 | Very low | 37.7 | Very low | 227 Ų | 227 | 143.6 Ų | 143.6 | 86% | 0.857 | 76% | 0.761 | S | S | * | * | | | trans | -147.7 | 150.1 | -169.4 | -174.7 | -150.8 | -71.3 | 141.1 | -6.4 | 115.3 | | |
| 492 | P | 38.5 | Very low | 37.3 | Very low | 115 Ų | 115 | 143.9 Ų | 143.9 | 75% | 0.747 | 76% | 0.763 | S | S | * | * | | | trans | -123.1 | 174.3 | 165.9 | 38.4 | -24.6 | 0 | 0 | 0 | 117.6 | | |
| 493 | P | 57.9 | Low | 38.2 | Very low | 107 Ų | 107 | 140.4 Ų | 140.4 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | | | trans | -139.1 | -178.2 | -162.8 | 26.7 | -0.2 | 0 | 0 | 0 | 120 | | |
| 494 | H | 33.5 | Very low | 38.5 | Very low | 172 Ų | 172 | 138.5 Ų | 138.5 | 80% | 0.796 | 74% | 0.741 | S | S | * | * | | | trans | 114.7 | 125.5 | 150.2 | -67.2 | -79 | 0 | 0 | 0 | 124.8 | | |
| 495 | H | 32.6 | Very low | 38.5 | Very low | 162 Ų | 162 | 143.9 Ų | 143.9 | 75% | 0.75 | 75% | 0.748 | S | S | * | * | | | trans | 53.7 | 154.5 | 149.6 | 98.9 | -7.3 | 0 | 0 | 0 | 122.1 | | |
| 496 | M | 27.1 | Very low | 38 | Very low | 132 Ų | 132 | 139.2 Ų | 139.2 | 65% | 0.65 | 74% | 0.736 | S | S | * | * | | | cis | -157.3 | -179.2 | 44.8 | -159.8 | 38.3 | 161.7 | 0 | 0 | 116.9 | | |
| 497 | E | 30.1 | Very low | 38.6 | Very low | 153 Ų | 153 | 133.7 Ų | 133.7 | 72% | 0.715 | 72% | 0.722 | S | S | * | * | | | trans | -63.7 | -171 | 178.3 | -70.4 | -178.8 | 86.1 | 0 | 0 | 118.4 | | |
| 498 | P | 46.1 | Very low | 38.4 | Very low | 114 Ų | 114 | 137.5 Ų | 137.5 | 74% | 0.74 | 72% | 0.722 | S | S | * | * | | | cis | -132.5 | -159.3 | -16.9 | 21.6 | 5.1 | 0 | 0 | 0 | 115.1 | | |
| 499 | L | 33.3 | Very low | 37.3 | Very low | 155 Ų | 155 | 138.3 Ų | 138.3 | 81% | 0.812 | 72% | 0.72 | S | S | * | * | | | trans | -105.9 | 167.3 | -175.1 | -69.4 | 64.3 | 0 | 0 | 0 | 115.6 | | |
| 500 | R | 28.2 | Very low | 36.5 | Very low | 213 Ų | 213 | 144 Ų | 144 | 80% | 0.804 | 73% | 0.726 | S | S | * | * | | | | 114.4 | 150.2 | 119.4 | -130.1 | -173.7 | 155.9 | 142.1 | -0.8 | 121.8 | | |
| 501 | N | 29.3 | Very low | 36.5 | Very low | 125 Ų | 125 | 145 Ų | 145 | 67% | 0.668 | 73% | 0.731 | S | S | * | * | | | trans | 79.7 | 153.3 | 155.4 | -63.1 | -24.8 | 0 | 0 | 0 | 120.5 | | |
| 502 | Q | 26.8 | Very low | 37.2 | Very low | 161 Ų | 161 | 139.1 Ų | 139.1 | 75% | 0.752 | 72% | 0.722 | S | S | * | * | | | cis | -168 | -153.5 | -37.1 | -102.8 | -86 | 51.3 | 0 | 0 | 110.2 | | |
| 503 | P | 54.1 | Low | 37 | Very low | 103 Ų | 103 | 140.3 Ų | 140.3 | 67% | 0.669 | 72% | 0.721 | S | S | * | * | | | | -113.6 | -145.8 | -127.4 | 37.7 | -11.7 | 0 | 0 | 0 | 113.3 | | |
| 504 | P | 53.4 | Low | 35.9 | Very low | 89 Ų | 89 | 142.9 Ų | 142.9 | 58% | 0.578 | 72% | 0.722 | S | S | * | * | | | cis | -140.6 | -156 | -9 | 33.4 | -6.7 | 0 | 0 | 0 | 115.9 | | |
| 505 | Q | 29.4 | Very low | 36.2 | Very low | 177 Ų | 177 | 140.6 Ų | 140.6 | 83% | 0.827 | 71% | 0.714 | S | S | * | * | | | trans | 103.6 | 144.8 | 157.2 | -57.5 | -61.1 | -8.5 | 0 | 0 | 122.2 | | |
| 506 | G | 29.7 | Very low | 36.2 | Very low | 55 Ų | 55 | 136 Ų | 136 | 57% | 0.567 | 71% | 0.71 | S | S | * | * | | | trans | -108 | -140.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 507 | P | 43.1 | Very low | 36.5 | Very low | 93 Ų | 93 | 137.3 Ų | 137.3 | 60% | 0.604 | 71% | 0.714 | S | S | * | * | | | cis | -150.2 | -168.4 | 12 | 46.5 | -25.7 | 0 | 0 | 0 | 118.7 | | |
| 508 | Q | 32.4 | Very low | 36.6 | Very low | 147 Ų | 147 | 134.9 Ų | 134.9 | 69% | 0.687 | 71% | 0.714 | S | S | * | * | | | trans | 72.7 | 135.7 | 150.1 | -60.7 | -34.4 | 50 | 0 | 0 | 127.4 | | |
| 509 | D | 31.3 | Very low | 35.9 | Very low | 135 Ų | 135 | 132.4 Ų | 132.4 | 72% | 0.722 | 71% | 0.708 | S | S | * | * | | | trans | 55.3 | 139 | 144.1 | -52.2 | -24.5 | 0 | 0 | 0 | 121.3 | | |
| 510 | R | 34 | Very low | 35.6 | Very low | 237 Ų | 237 | 131.2 Ų | 131.2 | 89% | 0.894 | 70% | 0.703 | S | S | * | * | | | cis | -156.2 | 156.9 | 30.5 | -164.4 | 179.4 | -173.8 | 112.6 | -1.8 | 113.2 | | |
| 511 | E | 33.4 | Very low | 35.8 | Very low | 173 Ų | 173 | 126.2 Ų | 126.2 | 81% | 0.808 | 70% | 0.701 | S | S | * | * | | | trans | -82.6 | -164.7 | 177.1 | -32.4 | 162.8 | 107.6 | 0 | 0 | 113.1 | | |
| 512 | P | 56.2 | Low | 36 | Very low | 103 Ų | 103 | 125 Ų | 125 | 67% | 0.669 | 70% | 0.702 | S | S | * | * | | | cis | -118.5 | -148.4 | -28.3 | 22.5 | 1.8 | 0 | 0 | 0 | 109.5 | | |
| 513 | L | 35.4 | Very low | 36.2 | Very low | 141 Ų | 141 | 126.9 Ų | 126.9 | 74% | 0.738 | 70% | 0.702 | S | S | * | * | | | cis | -148.1 | 177.2 | 5.3 | -60.3 | 86 | 0 | 0 | 0 | 107.3 | | |
| 514 | F | 35.3 | Very low | 34.9 | Very low | 161 Ų | 161 | 131.8 Ų | 131.8 | 71% | 0.706 | 71% | 0.713 | S | S | * | * | | | cis | -153.6 | 128.8 | -22.4 | -119.8 | -146.1 | 0 | 0 | 0 | 106 | | |
| 515 | I | 38.5 | Very low | 34.3 | Very low | 124 Ų | 124 | 133 Ų | 133 | 64% | 0.636 | 72% | 0.721 | S | S | * | * | | | | 72.5 | 136.1 | 101.1 | -65.8 | -174.3 | 0 | 0 | 0 | 114.8 | | |
| 516 | G | 32.5 | Very low | 34.2 | Very low | 64 Ų | 64 | 127.7 Ų | 127.7 | 66% | 0.66 | 71% | 0.714 | S | S | * | * | | | cis | -123.2 | 160.8 | 6.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 517 | E | 33.8 | Very low | 34.3 | Very low | 160 Ų | 160 | 133.2 Ų | 133.2 | 75% | 0.748 | 73% | 0.725 | S | S | * | * | | | cis | 77.2 | 124.2 | 39.5 | -168.3 | 179.3 | -165.1 | 0 | 0 | 111.7 | | |
| 518 | C | 31.9 | Very low | 33.8 | Very low | 103 Ų | 103 | 135.8 Ų | 135.8 | 70% | 0.696 | 73% | 0.729 | S | S | * | * | | | cis | -154.6 | -178.4 | -12.4 | -112.6 | 0 | 0 | 0 | 0 | 109.6 | D520 | C518-D520 PolarHBondContact SG-OD2 3.12Š|
| 519 | G | 31.6 | Very low | 33.6 | Very low | 61 Ų | 61 | 134.1 Ų | 134.1 | 63% | 0.629 | 72% | 0.722 | S | S | * | * | | | cis | -144.4 | 157.1 | 6.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 520 | D | 27.4 | Very low | 33.5 | Very low | 130 Ų | 130 | 137.4 Ų | 137.4 | 70% | 0.695 | 73% | 0.73 | S | S | * | * | | | | 70.2 | 106.5 | 78.7 | -66.4 | -38.8 | 0 | 0 | 0 | 111.9 | C518 | C518-D520 PolarHBondContact SG-OD2 3.12Š|
| 521 | S | 32.9 | Very low | 33.2 | Very low | 109 Ų | 109 | 131 Ų | 131 | 76% | 0.762 | 71% | 0.714 | S | S | * | * | | | cis | 61.8 | 155.5 | 33.9 | -57.8 | 0 | 0 | 0 | 0 | 115.1 | | |
| 522 | S | 33.5 | Very low | 33.1 | Very low | 98 Ų | 98 | 131.6 Ų | 131.6 | 69% | 0.685 | 72% | 0.716 | S | S | * | * | | | trans | 75.3 | 148.1 | -179.6 | -68.9 | 0 | 0 | 0 | 0 | 116.2 | | |
| 523 | R | 31.4 | Very low | 31.8 | Very low | 202 Ų | 202 | 132.4 Ų | 132.4 | 76% | 0.762 | 72% | 0.721 | S | S | * | * | | | cis | -172.2 | 119.2 | -11.8 | 161.8 | -177.3 | -65.1 | -122.3 | 0.4 | 112.4 | | |
| 524 | F | 26.1 | Very low | 31.8 | Very low | 205 Ų | 205 | 128.6 Ų | 128.6 | 90% | 0.899 | 72% | 0.717 | S | S | * | * | | | trans | 51.5 | -141.8 | 146.9 | -77 | -88.1 | 0 | 0 | 0 | 117.4 | | |
| 525 | P | 41 | Very low | 31.8 | Very low | 114 Ų | 114 | 126.5 Ų | 126.5 | 74% | 0.74 | 72% | 0.719 | S | S | * | * | | | | -124.9 | 155.1 | -90.5 | 35.2 | -22.7 | 0 | 0 | 0 | 117.7 | | |
| 526 | G | 27.6 | Very low | 31.7 | Very low | 66 Ų | 66 | 124.5 Ų | 124.5 | 68% | 0.68 | 73% | 0.729 | S | S | * | * | | | trans | 175.1 | 133.1 | 161 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 527 | Q | 30.3 | Very low | 31.4 | Very low | 171 Ų | 171 | 125.5 Ų | 125.5 | 80% | 0.799 | 73% | 0.726 | S | S | * | * | | | cis | 60 | 128 | 18.4 | -52.4 | -76.3 | -13.6 | 0 | 0 | 114 | | |
| 528 | H | 32.8 | Very low | 31 | Very low | 148 Ų | 148 | 125 Ų | 125 | 69% | 0.685 | 73% | 0.727 | S | S | * | * | | | cis | -167.5 | 164.5 | -24.1 | -143.3 | -95.9 | 0 | 0 | 0 | 107.2 | | |
| 529 | M | 27.8 | Very low | 30.6 | Very low | 112 Ų | 112 | 127.7 Ų | 127.7 | 55% | 0.552 | 73% | 0.732 | S | S | * | * | | | trans | 59.1 | 105.2 | 166.7 | -49.9 | -58.7 | -68.9 | 0 | 0 | 118.6 | D531 | M529-D531 VanDerWaalsContact CE-OD1 3.26Å; M529-D531 WeakPolarHBondContact CE-OD1 3.46Å; M529-D531 WeakPolarHBondContact CE-OD2 3.32Å |
| 530 | F | 31.1 | Very low | 30.3 | Very low | 203 Ų | 203 | 131.5 Ų | 131.5 | 89% | 0.89 | 74% | 0.738 | S | S | * | * | | | | -126.2 | 122.6 | 107.4 | -88.1 | -93.4 | 0 | 0 | 0 | 105 | | |
| 531 | D | 27.2 | Very low | 30.3 | Very low | 104 Ų | 104 | 130 Ų | 130 | 56% | 0.556 | 74% | 0.738 | S | S | * | * | | | | 63.4 | 60.7 | 57 | -70 | -40.7 | 0 | 0 | 0 | 114.5 | M529 | M529-D531 VanDerWaalsContact CE-OD1 3.26Å; M529-D531 WeakPolarHBondContact CE-OD1 3.46Å; M529-D531 WeakPolarHBondContact CE-OD2 3.32Å |
| 532 | H | 31 | Very low | 30.2 | Very low | 185 Ų | 185 | 127.9 Ų | 127.9 | 86% | 0.856 | 73% | 0.732 | S | S | * | * | | | trans | -124.5 | 148.2 | 137.8 | -75.3 | -40.3 | 0 | 0 | 0 | 109.9 | | |
| 533 | P | 29.7 | Very low | 30.2 | Very low | 119 Ų | 119 | 130.3 Ų | 130.3 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | | | trans | -95.9 | 172.5 | -139.7 | 37.1 | -39 | 0 | 0 | 0 | 114.5 | | |
| 534 | G | 34.2 | Very low | 30.3 | Very low | 62 Ų | 62 | 127.3 Ų | 127.3 | 64% | 0.639 | 74% | 0.737 | S | S | * | * | | | trans | -60.4 | 168.6 | 152.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 535 | P | 36 | Very low | 30.8 | Very low | 116 Ų | 116 | 123.7 Ų | 123.7 | 75% | 0.753 | 73% | 0.726 | S | S | * | * | | | | -130.8 | 145 | 61 | 36.8 | -25.9 | 0 | 0 | 0 | 115.1 | S537 | P535-S537 PolarHBondContact O-N 3.27Š|
| 536 | G | 36.1 | Very low | 30.6 | Very low | 82 Ų | 82 | 125.2 Ų | 125.2 | 85% | 0.845 | 72% | 0.723 | S | S | * | * | | | trans | -77.6 | 105 | 149.2 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 537 | S | 25.6 | Very low | 31.2 | Very low | 85 Ų | 85 | 128.7 Ų | 128.7 | 59% | 0.594 | 72% | 0.721 | S | S | * | * | | | trans | -160 | 115.3 | 171.9 | -82.3 | 0 | 0 | 0 | 0 | 108.6 | P535 | P535-S537 PolarHBondContact O-N 3.27Š|
| 538 | L | 26 | Very low | 31.5 | Very low | 149 Ų | 149 | 126.7 Ų | 126.7 | 78% | 0.78 | 71% | 0.712 | S | S | * | * | | | | 80.5 | 128.1 | 98.3 | -71.9 | 169 | 0 | 0 | 0 | 114.4 | | |
| 539 | M | 24.2 | Very low | 31.8 | Very low | 160 Ų | 160 | 125.9 Ų | 125.9 | 79% | 0.788 | 71% | 0.709 | S | S | * | * | | | trans | 67.2 | 99.9 | 159.9 | -61 | -61.4 | 152.7 | 0 | 0 | 120.1 | | |
| 540 | N | 24.3 | Very low | 32.5 | Very low | 141 Ų | 141 | 127 Ų | 127 | 75% | 0.754 | 71% | 0.712 | S | S | * | * | | | | 36.6 | 139.4 | 105.3 | -167.6 | 31.9 | 0 | 0 | 0 | 120.6 | | |
| 541 | S | 27.1 | Very low | 33.3 | Very low | 100 Ų | 100 | 125.1 Ų | 125.1 | 70% | 0.699 | 71% | 0.706 | S | S | * | * | | | trans | 81.6 | 148 | 170.8 | -27.3 | 0 | 0 | 0 | 0 | 116.2 | | |
| 542 | G | 31.1 | Very low | 34.3 | Very low | 63 Ų | 63 | 128.2 Ų | 128.2 | 65% | 0.649 | 72% | 0.722 | S | S | * | * | | | cis | 147.3 | 178.2 | -7.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 543 | N | 34.2 | Very low | 34.5 | Very low | 149 Ų | 149 | 125.2 Ų | 125.2 | 80% | 0.797 | 72% | 0.719 | S | S | * | * | | | trans | 76.2 | 160.1 | 167.2 | -48.8 | -30.3 | 0 | 0 | 0 | 116.2 | | |
| 544 | N | 32.9 | Very low | 34.4 | Very low | 139 Ų | 139 | 123.1 Ų | 123.1 | 74% | 0.743 | 72% | 0.719 | S | S | * | * | | | cis | -147.7 | 170.7 | 27.4 | -78.9 | -81.3 | 0 | 0 | 0 | 110.8 | | |
| 545 | L | 35.5 | Very low | 34.6 | Very low | 129 Ų | 129 | 128.8 Ų | 128.8 | 68% | 0.675 | 73% | 0.729 | S | S | * | * | | | cis | -176.3 | 175.7 | -22 | 179.4 | 56.3 | 0 | 0 | 0 | 107.5 | | |
| 546 | H | 38.5 | Very low | 35.3 | Very low | 146 Ų | 146 | 127.1 Ų | 127.1 | 68% | 0.676 | 73% | 0.725 | S | S | * | * | | | trans | 93.1 | 127.2 | 169.5 | -56.5 | 89.7 | 0 | 0 | 0 | 116.5 | | |
| 547 | H | 38.8 | Very low | 36.2 | Very low | 139 Ų | 139 | 131.3 Ų | 131.3 | 64% | 0.644 | 72% | 0.722 | S | S | * | * | | | cis | -160.6 | -167.5 | -2.8 | -132 | 4.1 | 0 | 0 | 0 | 110.8 | | |
| 548 | H | 37.9 | Very low | 37.2 | Very low | 129 Ų | 129 | 136.6 Ų | 136.6 | 60% | 0.597 | 74% | 0.74 | S | S | * | * | | | cis | -148.7 | -68.1 | 15.9 | -154.6 | -6 | 0 | 0 | 0 | 120.3 | | |
| 549 | Q | 38.2 | Very low | 37.7 | Very low | 132 Ų | 132 | 132.8 Ų | 132.8 | 62% | 0.617 | 74% | 0.737 | S | S | * | * | | | trans | -164.7 | 167.8 | -144.2 | -108.9 | -169.3 | 97.8 | 0 | 0 | 112.2 | | |
| 550 | Q | 43.5 | Very low | 38.9 | Very low | 134 Ų | 134 | 135 Ų | 135 | 63% | 0.626 | 74% | 0.742 | S | S | * | * | | | cis | -157 | 174.8 | -5 | -156.3 | -159.1 | 89.6 | 0 | 0 | 109.5 | | |
| 551 | Q | 47.4 | Very low | 39.8 | Very low | 164 Ų | 164 | 131.3 Ų | 131.3 | 77% | 0.766 | 74% | 0.738 | S | S | * | * | | | trans | 69.5 | 171.8 | 168.5 | -54.4 | -172.9 | 10.1 | 0 | 0 | 117.1 | | |
| 552 | L | 48.1 | Very low | 41 | Very low | 169 Ų | 169 | 132.1 Ų | 132.1 | 89% | 0.885 | 74% | 0.741 | S | S | * | * | | | trans | 91.9 | 154.3 | 174.4 | -59.4 | 169.8 | 0 | 0 | 0 | 118 | | |
| 553 | P | 36 | Very low | 42.4 | Very low | 123 Ų | 123 | 135.4 Ų | 135.4 | 80% | 0.799 | 75% | 0.751 | S | S | * | * | | | trans | -91.2 | 147.2 | -163 | 35.7 | -34.8 | 0 | 0 | 0 | 113.9 | | |
| 554 | G | 26.1 | Very low | 42.5 | Very low | 75 Ų | 75 | 132.1 Ų | 132.1 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | | | trans | -103.1 | 117.1 | -169.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 555 | Q | 39.5 | Very low | 42.9 | Very low | 180 Ų | 180 | 130.2 Ų | 130.2 | 84% | 0.841 | 76% | 0.755 | S | S | * | * | | | trans | -171 | 165.9 | 152.9 | -106.9 | 170.6 | 42 | 0 | 0 | 109.4 | | |
| 556 | A | 50.2 | Low | 43.9 | Very low | 82 Ų | 82 | 129.6 Ų | 129.6 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | | | | -157.7 | 94.7 | -82.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 557 | H | 55.4 | Low | 43.4 | Very low | 170 Ų | 170 | 131.1 Ų | 131.1 | 79% | 0.787 | 76% | 0.764 | S | S | * | * | | | trans | -142.4 | 170.3 | -160.2 | -45.2 | -53.3 | 0 | 0 | 0 | 114.7 | | |
| 558 | M | 47.3 | Very low | 42.9 | Very low | 196 Ų | 196 | 131.1 Ų | 131.1 | 97% | 0.966 | 77% | 0.769 | S | S | * | * | | | trans | -153.9 | 161.5 | -156.3 | -93.8 | -88.1 | -76.9 | 0 | 0 | 118.4 | | |
| 559 | G | 36.2 | Very low | 42.7 | Very low | 69 Ų | 69 | 133 Ų | 133 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | | | trans | 98.8 | 168.4 | 153.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 560 | F | 48.9 | Very low | 42.8 | Very low | 205 Ų | 205 | 131.1 Ų | 131.1 | 90% | 0.899 | 78% | 0.777 | S | S | * | * | | | cis | -174.2 | 159.3 | -25.9 | -166.8 | -103.3 | 0 | 0 | 0 | 112.1 | | |
| 561 | G | 43.3 | Very low | 42.3 | Very low | 65 Ų | 65 | 127.9 Ų | 127.9 | 67% | 0.67 | 78% | 0.779 | S | S | * | * | | | trans | 160.3 | 137.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 562 | P | 51 | Low | 41.6 | Very low | 116 Ų | 116 | 129.4 Ų | 129.4 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | | | trans | -132.3 | -174 | -163.3 | 42.8 | -24 | 0 | 0 | 0 | 118.6 | | |
| 563 | P | 62 | Low | 40.8 | Very low | 133 Ų | 133 | 124.6 Ų | 124.6 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | | | trans | -117.7 | -171.4 | -169.5 | 43.8 | -33.4 | 0 | 0 | 0 | 116.2 | | |
| 564 | G | 35.7 | Very low | 41.3 | Very low | 80 Ų | 80 | 124.3 Ų | 124.3 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | | | trans | 167.9 | 156.2 | 163.4 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 565 | A | 40.9 | Very low | 42.1 | Very low | 98 Ų | 98 | 129 Ų | 129 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | | | trans | -144.9 | -172 | 167 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 566 | P | 57 | Low | 42 | Very low | 117 Ų | 117 | 123.8 Ų | 123.8 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | | | cis | -137.7 | -143.6 | -2.9 | 43 | -21.7 | 0 | 0 | 0 | 112.9 | | |
| 567 | F | 28.2 | Very low | 41.4 | Very low | 177 Ų | 177 | 127 Ų | 127 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | | | trans | 120 | 144.9 | 137.5 | -145.9 | -116.6 | 0 | 0 | 0 | 120.9 | | |
| 568 | N | 28.8 | Very low | 40.4 | Very low | 139 Ų | 139 | 127.8 Ų | 127.8 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | | | trans | 79.4 | 151.9 | 162.1 | -96.1 | -18.4 | 0 | 0 | 0 | 125.2 | | |
| 569 | Q | 33.9 | Very low | 39.7 | Very low | 170 Ų | 170 | 126 Ų | 126 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | | | trans | -105 | -179.1 | 172.5 | -88 | -161.7 | 43.3 | 0 | 0 | 110.5 | | |
| 570 | P | 39.7 | Very low | 39.6 | Very low | 92 Ų | 92 | 132.6 Ų | 132.6 | 60% | 0.597 | 78% | 0.776 | S | S | * | * | | | cis | -149.9 | -176.3 | 21 | 45.2 | -24.5 | 0 | 0 | 0 | 119.4 | | |
| 571 | G | 32.3 | Very low | 38.8 | Very low | 65 Ų | 65 | 131.4 Ų | 131.4 | 67% | 0.67 | 77% | 0.774 | S | S | * | * | | | | 116.1 | 128.6 | 125 | 0 | 0 | 0 | 0 | 0 | 123.4 | | |
| 572 | Q | 32.3 | Very low | 39.1 | Very low | 196 Ų | 196 | 133.3 Ų | 133.3 | 92% | 0.916 | 77% | 0.774 | S | S | * | * | | | trans | 73.7 | 152 | 152.3 | -55.7 | -66.1 | 7.6 | 0 | 0 | 122 | | |
| 573 | G | 31.1 | Very low | 38.7 | Very low | 68 Ų | 68 | 133.8 Ų | 133.8 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | | | trans | -109.2 | -147.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 574 | P | 48.4 | Very low | 37.3 | Very low | 118 Ų | 118 | 138.6 Ų | 138.6 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | | | cis | -143.3 | 166.6 | 15.4 | 42.8 | -23.6 | 0 | 0 | 0 | 119.4 | | |
| 575 | L | 41.5 | Very low | 37.4 | Very low | 173 Ų | 173 | 138.3 Ų | 138.3 | 91% | 0.906 | 76% | 0.762 | S | S | * | * | | | trans | 60 | 136.9 | 146 | -69.4 | 169.5 | 0 | 0 | 0 | 124.7 | | |
| 576 | G | 36.9 | Very low | 36.8 | Very low | 71 Ų | 71 | 138 Ų | 138 | 73% | 0.732 | 75% | 0.746 | S | S | * | * | | | trans | -179 | 139.6 | 160.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 577 | L | 38.3 | Very low | 35.8 | Very low | 148 Ų | 148 | 135.1 Ų | 135.1 | 78% | 0.775 | 72% | 0.724 | S | S | * | * | | | trans | -125 | 128.9 | -171.4 | -71.3 | 169.6 | 0 | 0 | 0 | 114.8 | | |
| 578 | F | 34.4 | Very low | 36.4 | Very low | 187 Ų | 187 | 130.5 Ų | 130.5 | 82% | 0.82 | 71% | 0.712 | S | S | * | * | | | trans | 20.4 | 122.5 | 154.1 | -51.5 | -70.5 | 0 | 0 | 0 | 122.4 | | |
| 579 | Q | 33.3 | Very low | 37.1 | Very low | 159 Ų | 159 | 129 Ų | 129 | 74% | 0.743 | 71% | 0.71 | S | S | * | * | | | | 177.4 | 170.6 | 90.6 | -93.7 | -139.7 | 91.7 | 0 | 0 | 115.5 | | |
| 580 | R | 34 | Very low | 37 | Very low | 208 Ų | 208 | 128.2 Ų | 128.2 | 79% | 0.785 | 71% | 0.706 | S | S | * | * | | | trans | -33.4 | 159 | 173.8 | -75.2 | 173 | 176 | 104.7 | -5.7 | 118 | | |
| 581 | E | 31.4 | Very low | 36.9 | Very low | 180 Ų | 180 | 132.4 Ų | 132.4 | 84% | 0.841 | 72% | 0.717 | S | S | * | * | | | cis | -145.2 | 177.2 | 14.9 | -123.1 | -169.7 | 100.9 | 0 | 0 | 111.4 | | |
| 582 | P | 50.9 | Low | 37.1 | Very low | 104 Ų | 104 | 132.8 Ų | 132.8 | 68% | 0.675 | 72% | 0.721 | S | S | * | * | | | trans | -95.2 | 169.4 | -160.6 | 39.7 | -40.5 | 0 | 0 | 0 | 116.9 | | |
| 583 | P | 41.8 | Very low | 37.3 | Very low | 126 Ų | 126 | 131.5 Ų | 131.5 | 82% | 0.818 | 72% | 0.715 | S | S | * | * | | | | -132.9 | 177.8 | 108.1 | 39.2 | -31.9 | 0 | 0 | 0 | 115.4 | | |
| 584 | R | 33.1 | Very low | 37.6 | Very low | 234 Ų | 234 | 137.1 Ų | 137.1 | 88% | 0.883 | 72% | 0.723 | S | S | * | * | | | trans | -64.7 | 154.5 | 176.8 | -86.1 | 179.4 | -179 | 172.1 | 1 | 112.5 | | |
| 585 | P | 36.4 | Very low | 37 | Very low | 74 Ų | 74 | 135.2 Ų | 135.2 | 48% | 0.481 | 73% | 0.725 | S | S | . | * | | | cis | -128.9 | -167.6 | 43.8 | 43.1 | -27.7 | 0 | 0 | 0 | 115.7 | R673 | P585-R673 CarbonylContact C-O 3.45Å; P585-R673 VanDerWaalsContact CB-O 3.23Å; P585-R673 WeakPolarHBondContact CB-O 3.29Å; P585-R673 WeakPolarHBondContact CG-O 3.24Å |
| 586 | N | 29 | Very low | 36.8 | Very low | 91 Ų | 91 | 135.1 Ų | 135.1 | 49% | 0.487 | 72% | 0.722 | S | S | . | * | B | Isolated β-bridge | trans | -154.1 | 133.8 | -164.2 | -174.2 | -4.7 | 0 | 0 | 0 | 114.9 | H672 R673 | N586-H672 VanDerWaalsContact C-ND1 3.26Å; N586-H672 CarbonylContact O-C 3.42Å; N586-H672 VanDerWaalsContact O-CA 3.24Å; N586-H672 WeakPolarHBondContact O-CA 3.23Å; N586-H672 PolarHBondContact O-ND1 2.91Å; N586-H672 PolarHBondContact OD1-CE1 3.18Å; N586-H672 VanDerWaalsContact OD1-CE1 3.28Å; N586-R673 CarbonylContact C-O 2.75Å; N586-R673 PolarHBondContact N-O 3.31Å; N586-R673 CarbonylContact O-C 3.19Å; N586-R673 WeakPolarHBondContact O-CA 3.47Å; N586-R673 PolarHBondContact O-N 3.16Å |
| 587 | L | 35.8 | Very low | 36.6 | Very low | 57 Ų | 57 | 135.4 Ų | 135.4 | 30% | 0.298 | 72% | 0.718 | S | S | . | * | | | trans | -150.9 | 167.7 | 164.2 | -116.1 | 176.2 | 0 | 0 | 0 | 103.9 | H672 R673 Q674 | L587-H672 WeakPolarHBondContact CA-ND1 3.46Å; L587-H672 HydrophobicContact CB-CB 4.45Å; L587-H672 HydrophobicContact CD2-CB 3.55Å; L587-H672 HydrophobicContact CG-CB 3.68Å; L587-H672 WeakPolarHBondContact CG-O 3.46Å; L587-R673 HydrophobicContact CD1-CB 4.02Å; L587-R673 HydrophobicContact CD1-CG 4.19Å; L587-R673 HydrophobicContact CG-CB 4.4Å; L587-Q674 HydrophobicContact CB-CB 4.28Å; L587-Q674 PolarHBondContact O-NE2 3.32Å; L587-Q674 PolarHBondContact O-OE1 3.22Å |
| 588 | P | 41.4 | Very low | 36.3 | Very low | 80 Ų | 80 | 134.6 Ų | 134.6 | 52% | 0.519 | 71% | 0.714 | S | S | . | * | | | trans | -88.2 | -174.1 | 161.8 | 40.3 | -27.2 | 0 | 0 | 0 | 109.5 | | |
| 589 | P | 42.5 | Very low | 36.4 | Very low | 108 Ų | 108 | 132.1 Ų | 132.1 | 70% | 0.701 | 71% | 0.709 | S | S | * | * | | | cis | -145.6 | -179.8 | 22 | 45 | -24.9 | 0 | 0 | 0 | 120.2 | | |
| 590 | H | 33.1 | Very low | 36.4 | Very low | 154 Ų | 154 | 130 Ų | 130 | 71% | 0.713 | 70% | 0.702 | S | S | * | * | | | trans | 77.1 | 98.9 | 167.9 | -82.5 | -80.5 | 0 | 0 | 0 | 119.3 | | |
| 591 | Q | 36.8 | Very low | 36.3 | Very low | 179 Ų | 179 | 123.2 Ų | 123.2 | 84% | 0.836 | 68% | 0.679 | S | S | * | * | | | | 27.5 | 117.5 | 118.7 | -63.2 | 178.5 | -7.9 | 0 | 0 | 117.8 | | |
| 592 | G | 35.9 | Very low | 36.6 | Very low | 73 Ų | 73 | 119.3 Ų | 119.3 | 75% | 0.753 | 66% | 0.661 | S | S | * | * | | | trans | -142 | 143.6 | 154.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 593 | H | 37 | Very low | 35.6 | Very low | 170 Ų | 170 | 116.4 Ų | 116.4 | 79% | 0.787 | 65% | 0.65 | S | S | * | * | | | trans | -123.6 | 132.6 | -177.8 | -95.1 | 4.6 | 0 | 0 | 0 | 111.7 | | |
| 594 | Q | 37.6 | Very low | 35 | Very low | 185 Ų | 185 | 113.9 Ų | 113.9 | 86% | 0.864 | 65% | 0.647 | S | S | * | * | | | trans | 60.8 | 130.8 | 150.1 | -56.3 | 176.8 | 29.5 | 0 | 0 | 118.6 | | |
| 595 | G | 36.9 | Very low | 35.9 | Very low | 78 Ų | 78 | 108.6 Ų | 108.6 | 80% | 0.804 | 64% | 0.643 | S | S | * | * | | | trans | -161.2 | 115 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 596 | M | 36.4 | Very low | 36.2 | Very low | 172 Ų | 172 | 111.1 Ų | 111.1 | 85% | 0.847 | 66% | 0.659 | S | S | * | * | | | trans | -34.5 | 132.6 | 176.8 | -52.9 | -70.3 | -88.8 | 0 | 0 | 114.1 | | |
| 597 | A | 33.4 | Very low | 36.4 | Very low | 77 Ų | 77 | 113.1 Ų | 113.1 | 64% | 0.636 | 67% | 0.67 | S | S | * | * | | | cis | 78.5 | 133.2 | 48.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 598 | N | 32.3 | Very low | 36.4 | Very low | 131 Ų | 131 | 118.2 Ų | 118.2 | 70% | 0.701 | 69% | 0.692 | S | S | * | * | | | trans | 101.3 | 120.8 | 148.9 | -69.8 | -12.9 | 0 | 0 | 0 | 122.5 | | |
| 599 | L | 36.4 | Very low | 36.6 | Very low | 135 Ų | 135 | 119.3 Ų | 119.3 | 71% | 0.707 | 70% | 0.699 | S | S | * | * | | | trans | 68.3 | 142.2 | 145.4 | -82.7 | 61.1 | 0 | 0 | 0 | 116 | | |
| 600 | N | 31.5 | Very low | 36.4 | Very low | 114 Ų | 114 | 125.3 Ų | 125.3 | 61% | 0.61 | 71% | 0.708 | S | S | * | * | | | cis | -150.5 | -179 | 21.9 | -114.5 | -5.9 | 0 | 0 | 0 | 110.1 | | |
| 601 | Q | 32 | Very low | 36.9 | Very low | 65 Ų | 65 | 123.3 Ų | 123.3 | 30% | 0.304 | 71% | 0.708 | S | S | . | * | | | cis | -150.6 | -89.9 | 3.3 | -126.5 | -25.2 | 20.9 | 0 | 0 | 111.5 | D14 K15 | D14-Q601 HydrophobicContact CB-CG 4.22Å; D14-Q601 VanDerWaalsContact CG-CG 3.43Å; D14-Q601 VanDerWaalsContact CG-NE2 3.26Å; D14-Q601 PolarHBondContact OD1-NE2 2.64Å; D14-Q601 PolarHBondContact OD1-OE1 2.81Å; D14-Q601 WeakPolarHBondContact OD2-CB 3.32Å; D14-Q601 VanDerWaalsContact OD2-CD 3.22Å; D14-Q601 WeakPolarHBondContact OD2-CG 3.39Å; K15-Q601 PolarHBondContact NZ-O 3.31Å; K15-Q601 PolarHBondContact O-NE2 2.89Å |
| 602 | Q | 37.8 | Very low | 36.7 | Very low | 99 Ų | 99 | 123.6 Ų | 123.6 | 46% | 0.463 | 71% | 0.707 | S | S | . | * | | | trans | -145.1 | -171.1 | 172.7 | -75.2 | -176.8 | 61.6 | 0 | 0 | 109.4 | Y13 D14 K15 | Y13-Q602 HydrophobicContact CD1-CB 3.9Å; Y13-Q602 HydrophobicContact CD2-CB 4.36Å; Y13-Q602 VanDerWaalsContact CE1-C 3.41Å; Y13-Q602 HydrophobicContact CE1-CB 4.2Å; Y13-Q602 WeakPolarHBondContact CE1-O 3.4Å; Y13-Q602 HydrophobicContact CG-CB 4.01Å; D14-Q602 VanDerWaalsContact OD1-CD 3.27Å; D14-Q602 WeakPolarHBondContact OD1-CG 3.42Å; D14-Q602 PolarHBondContact OD1-NE2 3.39Å; D14-Q602 WeakPolarHBondContact OD2-CB 3.45Å; D14-Q602 PolarHBondContact OD2-N 3.14Å; K15-Q602 HydrophobicContact CD-CG 4.27Å |
| 603 | G | 30.4 | Very low | 36.5 | Very low | 42 Ų | 42 | 128.5 Ų | 128.5 | 43% | 0.433 | 71% | 0.713 | S | S | . | * | | | cis | -176.2 | 166 | -0.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y13 | Y13-G603 VanDerWaalsContact CZ-N 3.27Å; Y13-G603 PolarHBondContact OH-N 3.08Å; Y13-G603 PolarHBondContact OH-O 3.1Å |
| 604 | G | 29.7 | Very low | 36.8 | Very low | 73 Ų | 73 | 126 Ų | 126 | 75% | 0.753 | 72% | 0.715 | S | S | * | * | | | trans | 124.3 | 114.3 | 163.2 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 605 | P | 50.8 | Low | 37 | Very low | 124 Ų | 124 | 123 Ų | 123 | 81% | 0.805 | 71% | 0.711 | S | S | * | * | | | trans | -87.7 | -179.7 | 160.1 | 39.5 | -33.7 | 0 | 0 | 0 | 110.1 | | |
| 606 | P | 43.3 | Very low | 36.8 | Very low | 127 Ų | 127 | 130.5 Ų | 130.5 | 83% | 0.825 | 72% | 0.715 | S | S | * | * | | | cis | -143.6 | -151 | 28.3 | 43.8 | -20.7 | 0 | 0 | 0 | 117.1 | | |
| 607 | N | 33.5 | Very low | 37 | Very low | 132 Ų | 132 | 128.4 Ų | 128.4 | 71% | 0.706 | 70% | 0.703 | S | S | * | * | | | trans | -97.7 | 151 | -155.1 | -93.4 | -70.2 | 0 | 0 | 0 | 115.9 | | |
| 608 | Q | 36.2 | Very low | 37.4 | Very low | 165 Ų | 165 | 130.8 Ų | 130.8 | 77% | 0.771 | 71% | 0.712 | S | S | * | * | | | trans | 69.9 | 168 | 143.4 | -74.5 | 174 | 49 | 0 | 0 | 119.1 | | |
| 609 | P | 44.9 | Very low | 37.4 | Very low | 102 Ų | 102 | 132.5 Ų | 132.5 | 66% | 0.662 | 71% | 0.714 | S | S | * | * | | | cis | -139.3 | 145.1 | -28.1 | 31 | -11.6 | 0 | 0 | 0 | 116.7 | | |
| 610 | R | 38 | Very low | 37.1 | Very low | 234 Ų | 234 | 129 Ų | 129 | 88% | 0.883 | 71% | 0.711 | S | S | * | * | | | trans | 61.2 | -175.9 | 160.3 | -68.6 | -173.9 | -176.1 | -114.6 | 2.8 | 114.4 | | |
| 611 | P | 43.9 | Very low | 37.1 | Very low | 112 Ų | 112 | 130.8 Ų | 130.8 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | | | cis | -129.2 | -178.4 | -3.7 | 37.6 | -17.3 | 0 | 0 | 0 | 116.9 | | |
| 612 | F | 32.7 | Very low | 37.1 | Very low | 185 Ų | 185 | 136 Ų | 136 | 81% | 0.811 | 74% | 0.74 | S | S | * | * | | | trans | 6.8 | 132.1 | 154.4 | -75.3 | -106.6 | 0 | 0 | 0 | 120.7 | | |
| 613 | M | 31.9 | Very low | 36.8 | Very low | 177 Ų | 177 | 134.4 Ų | 134.4 | 87% | 0.872 | 75% | 0.75 | S | S | * | * | | | | 177.1 | 151.3 | 98.1 | -94 | -149.8 | 160.3 | 0 | 0 | 113.7 | | |
| 614 | S | 43.7 | Very low | 36.9 | Very low | 118 Ų | 118 | 139.9 Ų | 139.9 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | | | trans | -136.7 | 137.2 | 168.3 | -60 | 0 | 0 | 0 | 0 | 109.5 | | |
| 615 | P | 41.5 | Very low | 37 | Very low | 122 Ų | 122 | 144.1 Ų | 144.1 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | | | trans | -148.5 | 148.8 | 132.3 | 37.2 | -21.9 | 0 | 0 | 0 | 116.4 | | |
| 616 | R | 32.3 | Very low | 36.4 | Very low | 235 Ų | 235 | 146.7 Ų | 146.7 | 89% | 0.887 | 77% | 0.77 | S | S | * | * | | | | 126.6 | 116.7 | 122.6 | -144.5 | 169.1 | -155.8 | -80.9 | 1.3 | 116.4 | | |
| 617 | Q | 40.5 | Very low | 36.3 | Very low | 127 Ų | 127 | 146.2 Ų | 146.2 | 59% | 0.593 | 77% | 0.767 | S | S | * | * | | | trans | -82.9 | 169.3 | 169.6 | -71.7 | -97.6 | -10.9 | 0 | 0 | 111.8 | F619 | Q617-F619 HydrophobicContact CB-CD2 3.98Å; Q617-F619 HydrophobicContact CG-CD2 3.94Å; Q617-F619 HydrophobicContact CG-CE2 4.04Å |
| 618 | P | 42.7 | Very low | 36.8 | Very low | 127 Ų | 127 | 145.2 Ų | 145.2 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | | | | -117.4 | 128 | 127.6 | 33.9 | -29.3 | 0 | 0 | 0 | 111.5 | | |
| 619 | F | 32.3 | Very low | 37.5 | Very low | 168 Ų | 168 | 142.9 Ų | 142.9 | 74% | 0.737 | 77% | 0.766 | S | S | * | * | | | trans | -98.9 | 143.6 | -176 | -115.2 | -88.7 | 0 | 0 | 0 | 112.8 | Q617 | Q617-F619 HydrophobicContact CB-CD2 3.98Å; Q617-F619 HydrophobicContact CG-CD2 3.94Å; Q617-F619 HydrophobicContact CG-CE2 4.04Å |
| 620 | G | 30.2 | Very low | 37.5 | Very low | 62 Ų | 62 | 143.4 Ų | 143.4 | 64% | 0.639 | 77% | 0.77 | S | S | * | * | | | trans | -136.4 | 115 | 146.9 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 621 | Q | 31.5 | Very low | 37.3 | Very low | 151 Ų | 151 | 137.9 Ų | 137.9 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | | | | 59.6 | 112.6 | 73 | -60.5 | -70.2 | 75.4 | 0 | 0 | 110.2 | | |
| 622 | Q | 30.5 | Very low | 36.8 | Very low | 175 Ų | 175 | 140 Ų | 140 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | | | cis | -150.5 | 165.6 | 11.9 | -58.5 | -178.2 | -20.1 | 0 | 0 | 110.2 | | |
| 623 | G | 32.2 | Very low | 36.8 | Very low | 65 Ų | 65 | 140.4 Ų | 140.4 | 67% | 0.67 | 76% | 0.764 | S | S | * | * | | | cis | 166.9 | -178.5 | -6.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 624 | N | 32.9 | Very low | 36.9 | Very low | 157 Ų | 157 | 134.9 Ų | 134.9 | 84% | 0.84 | 75% | 0.753 | S | S | * | * | | | trans | 61.8 | 126.1 | 158.9 | -62 | 18.7 | 0 | 0 | 0 | 121.8 | | |
| 625 | M | 31.2 | Very low | 36.7 | Very low | 162 Ų | 162 | 136.7 Ų | 136.7 | 80% | 0.798 | 75% | 0.752 | S | S | * | * | | | trans | -96.7 | 145.8 | 153.1 | -65.9 | 172.6 | 58.9 | 0 | 0 | 109.9 | | |
| 626 | F | 38.2 | Very low | 36.3 | Very low | 177 Ų | 177 | 139.4 Ų | 139.4 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | | | trans | 63.2 | 143.1 | 171.8 | -74.2 | -76.6 | 0 | 0 | 0 | 116.5 | | |
| 627 | P | 42.4 | Very low | 36.5 | Very low | 117 Ų | 117 | 132 Ų | 132 | 76% | 0.76 | 74% | 0.743 | S | S | * | * | | | | -143.3 | 176.6 | 79.4 | 41.4 | -25.2 | 0 | 0 | 0 | 116 | | |
| 628 | P | 44 | Very low | 36.3 | Very low | 111 Ų | 111 | 133.8 Ų | 133.8 | 72% | 0.721 | 75% | 0.751 | S | S | * | * | | | trans | -89.4 | -171.1 | 164.6 | 41 | -36.8 | 0 | 0 | 0 | 111.8 | | |
| 629 | P | 49.8 | Very low | 36 | Very low | 116 Ų | 116 | 136.3 Ų | 136.3 | 75% | 0.753 | 74% | 0.744 | S | S | * | * | | | trans | -88.2 | -172.8 | -151.4 | 43.2 | -43.4 | 0 | 0 | 0 | 114.3 | | |
| 630 | P | 46.2 | Very low | 36 | Very low | 113 Ų | 113 | 139 Ų | 139 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | | | cis | -153.3 | -174.3 | 22.8 | 42.4 | -17.6 | 0 | 0 | 0 | 121.6 | | |
| 631 | V | 33.8 | Very low | 36.1 | Very low | 118 Ų | 118 | 139.3 Ų | 139.3 | 72% | 0.715 | 75% | 0.752 | S | S | * | * | | | trans | 70 | 125.6 | 158.1 | -109 | 0 | 0 | 0 | 0 | 126.3 | | |
| 632 | Q | 31.6 | Very low | 36.2 | Very low | 158 Ų | 158 | 139.6 Ų | 139.6 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | | | trans | 79.5 | 140.3 | 133.8 | -97.6 | 172.6 | 50 | 0 | 0 | 126.3 | | |
| 633 | F | 33.8 | Very low | 36.2 | Very low | 192 Ų | 192 | 138 Ų | 138 | 84% | 0.842 | 75% | 0.754 | S | S | * | * | | | trans | 54.7 | 117.1 | 157.6 | -74.2 | -70.2 | 0 | 0 | 0 | 124.3 | | |
| 634 | G | 32.7 | Very low | 36.3 | Very low | 62 Ų | 62 | 142.8 Ų | 142.8 | 64% | 0.639 | 76% | 0.758 | S | S | * | * | | | | 110.1 | 82.9 | 91.6 | 0 | 0 | 0 | 0 | 0 | 124 | | |
| 635 | I | 40.6 | Very low | 36.3 | Very low | 156 Ų | 156 | 142.1 Ų | 142.1 | 80% | 0.8 | 76% | 0.76 | S | S | * | * | | | trans | 56.2 | 141.5 | 138 | 5.8 | 176.6 | 0 | 0 | 0 | 125.1 | | |
| 636 | Q | 33.8 | Very low | 37.6 | Very low | 179 Ų | 179 | 139.9 Ų | 139.9 | 84% | 0.836 | 76% | 0.758 | S | S | * | * | | | trans | 75.1 | 160.7 | 156.1 | -62 | 179.4 | 98.2 | 0 | 0 | 120.4 | | |
| 637 | A | 35.8 | Very low | 38.1 | Very low | 79 Ų | 79 | 137.6 Ų | 137.6 | 65% | 0.653 | 76% | 0.761 | S | S | * | * | | | cis | -174.3 | 147.2 | -39.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 638 | Q | 36.9 | Very low | 37.8 | Very low | 165 Ų | 165 | 138.7 Ų | 138.7 | 77% | 0.771 | 77% | 0.765 | S | S | * | * | | | trans | 65.9 | 163.3 | 160.5 | -64 | -162.7 | 33.8 | 0 | 0 | 118.9 | | |
| 639 | R | 34.8 | Very low | 37.2 | Very low | 180 Ų | 180 | 138.1 Ų | 138.1 | 68% | 0.679 | 76% | 0.764 | S | S | * | * | | | cis | -165.7 | 159 | -15.4 | -116.6 | -171.3 | -177.3 | -170.7 | -4 | 113.9 | | |
| 640 | R | 33.9 | Very low | 36.3 | Very low | 223 Ų | 223 | 140.2 Ų | 140.2 | 84% | 0.842 | 76% | 0.763 | S | S | * | * | | | trans | 61.6 | 156.4 | 154.4 | -69.7 | 174.8 | 168.2 | -176.1 | -5.8 | 118.8 | | |
| 641 | G | 30.6 | Very low | 35.4 | Very low | 69 Ų | 69 | 140.5 Ų | 140.5 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | | | cis | 155.9 | 157.8 | -15.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 642 | L | 35.1 | Very low | 36.1 | Very low | 158 Ų | 158 | 139.8 Ų | 139.8 | 83% | 0.827 | 76% | 0.756 | S | S | * | * | | | trans | 93.1 | 122.5 | 152.8 | -58.1 | 175.1 | 0 | 0 | 0 | 124.6 | | |
| 643 | I | 30.1 | Very low | 36.2 | Very low | 142 Ų | 142 | 139.6 Ų | 139.6 | 73% | 0.728 | 76% | 0.755 | S | S | * | * | | | trans | 94.1 | 140.8 | 130.3 | -68.5 | 169.4 | 0 | 0 | 0 | 123.8 | | |
| 644 | H | 35 | Very low | 36.1 | Very low | 165 Ų | 165 | 138.4 Ų | 138.4 | 76% | 0.764 | 75% | 0.751 | S | S | * | * | | | trans | -70.9 | 170.5 | -163.7 | -39.6 | 132 | 0 | 0 | 0 | 121 | | |
| 645 | T | 32 | Very low | 35.6 | Very low | 143 Ų | 143 | 141.8 Ų | 141.8 | 88% | 0.877 | 76% | 0.755 | S | S | * | * | | | | -170.2 | 158 | 113.5 | 19.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 646 | P | 58.2 | Low | 36.1 | Very low | 115 Ų | 115 | 139.1 Ų | 139.1 | 75% | 0.747 | 75% | 0.748 | S | S | * | * | | | trans | -122.9 | 178.3 | -176.7 | 43.7 | -32.2 | 0 | 0 | 0 | 115.7 | | |
| 647 | P | 49.7 | Very low | 35.9 | Very low | 129 Ų | 129 | 138 Ų | 138 | 84% | 0.838 | 75% | 0.747 | S | S | * | * | | | | -142.6 | 174.9 | 126 | 36.8 | -21.4 | 0 | 0 | 0 | 117.1 | | |
| 648 | V | 34.4 | Very low | 35.8 | Very low | 139 Ų | 139 | 139.3 Ų | 139.3 | 84% | 0.842 | 75% | 0.751 | S | S | * | * | | | trans | -62.1 | 167.9 | -177.3 | -96.4 | 0 | 0 | 0 | 0 | 116 | | |
| 649 | S | 33.4 | Very low | 36.2 | Very low | 100 Ų | 100 | 136.8 Ų | 136.8 | 70% | 0.699 | 75% | 0.749 | S | S | * | * | | | cis | -148.8 | -155.2 | 18.1 | -142.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 650 | Q | 29.2 | Very low | 36.5 | Very low | 159 Ų | 159 | 136.7 Ų | 136.7 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | | | cis | -159.9 | 175.7 | 9 | -132.2 | -59.4 | 65 | 0 | 0 | 110.2 | | |
| 651 | L | 28.5 | Very low | 37 | Very low | 119 Ų | 119 | 131.4 Ų | 131.4 | 62% | 0.623 | 75% | 0.75 | S | S | * | * | | | trans | -137.2 | -162 | 166.9 | -139.5 | 75.3 | 0 | 0 | 0 | 110.5 | | |
| 652 | P | 47.6 | Very low | 37 | Very low | 104 Ų | 104 | 135.6 Ų | 135.6 | 68% | 0.675 | 76% | 0.755 | S | S | * | * | | | cis | -106 | -176.3 | 16.6 | 10.5 | 15.7 | 0 | 0 | 0 | 112.8 | | |
| 653 | H | 34.8 | Very low | 37.1 | Very low | 153 Ų | 153 | 134.7 Ų | 134.7 | 71% | 0.708 | 75% | 0.746 | S | S | * | * | | | cis | -160.7 | -157.7 | -16.3 | -99.5 | -25.1 | 0 | 0 | 0 | 106.1 | | |
| 654 | H | 30.6 | Very low | 37.4 | Very low | 167 Ų | 167 | 130.7 Ų | 130.7 | 77% | 0.773 | 72% | 0.724 | S | S | * | * | | | cis | -155.7 | -149.1 | 9.9 | -146.5 | -33.3 | 0 | 0 | 0 | 112.6 | | |
| 655 | D | 23.8 | Very low | 37.4 | Very low | 134 Ų | 134 | 126.5 Ų | 126.5 | 72% | 0.717 | 71% | 0.705 | S | S | * | * | | | trans | -155.9 | 174.4 | -161.6 | -117.9 | -36.8 | 0 | 0 | 0 | 110.7 | | |
| 656 | P | 49.1 | Very low | 37.6 | Very low | 100 Ų | 100 | 125 Ų | 125 | 65% | 0.649 | 69% | 0.688 | S | S | * | * | | | cis | -143.8 | 162.5 | -3.8 | 31 | -7 | 0 | 0 | 0 | 120.5 | | |
| 657 | L | 31.5 | Very low | 36.6 | Very low | 156 Ų | 156 | 124.5 Ų | 124.5 | 82% | 0.817 | 68% | 0.676 | S | S | * | * | | | trans | 75.8 | 134.2 | 138.2 | -75.7 | 167.2 | 0 | 0 | 0 | 127.1 | | |
| 658 | S | 31.7 | Very low | 35.9 | Very low | 105 Ų | 105 | 124.1 Ų | 124.1 | 73% | 0.734 | 66% | 0.662 | S | S | * | * | | | trans | 105.6 | 156 | 138.1 | -67.7 | 0 | 0 | 0 | 0 | 123.8 | | |
| 659 | P | 45.6 | Very low | 35.9 | Very low | 113 Ų | 113 | 124.4 Ų | 124.4 | 73% | 0.734 | 65% | 0.654 | S | S | * | * | | | trans | -123.1 | -166.2 | -146.1 | 45 | -32.6 | 0 | 0 | 0 | 120.1 | | |
| 660 | H | 42.3 | Very low | 35.8 | Very low | 178 Ų | 178 | 126.7 Ų | 126.7 | 82% | 0.824 | 65% | 0.654 | S | S | * | * | | | trans | -110 | -147.8 | -164.2 | -24.8 | -58.1 | 0 | 0 | 0 | 114.5 | | |
| 661 | P | 42.8 | Very low | 35.8 | Very low | 111 Ų | 111 | 126.8 Ų | 126.8 | 72% | 0.721 | 65% | 0.654 | S | S | * | * | | | cis | -148.7 | -162.9 | 5.8 | 46.2 | -23.5 | 0 | 0 | 0 | 119.2 | | |
| 662 | I | 30.7 | Very low | 35.9 | Very low | 158 Ų | 158 | 125.9 Ų | 125.9 | 81% | 0.81 | 65% | 0.646 | S | S | * | * | | | trans | 83.2 | 103.7 | 154.7 | -64.2 | 165.7 | 0 | 0 | 0 | 124.9 | | |
| 663 | H | 37.8 | Very low | 35 | Very low | 138 Ų | 138 | 129.2 Ų | 129.2 | 64% | 0.639 | 65% | 0.645 | S | S | * | * | | | | 54 | 135.1 | 120 | -144 | 33.6 | 0 | 0 | 0 | 129.2 | E688 | H663-E688 WeakPolarHBondContact CA-OE1 3.42Å; H663-E688 WeakPolarHBondContact CA-OE2 2.8Å; H663-E688 IonicContact CE1-OE1 3.77Å; H663-E688 IonicContact CG-OE1 3.79Å; H663-E688 PolarHBondContact N-OE2 2.94Å; H663-E688 IonicContact ND1-OE1 3.58Å; H663-E688 PolarHBondContact ND1-OE1 2.86Å |
| 664 | Q | 35.7 | Very low | 34.8 | Very low | 59 Ų | 59 | 125.9 Ų | 125.9 | 28% | 0.276 | 63% | 0.63 | S | S | . | * | | | | 151.6 | 111.4 | 120.6 | -176.8 | -176.6 | 119.7 | 0 | 0 | 120.1 | E688 P689 R690 | Q664-E688 VanDerWaalsContact N-CD 3.29Å; Q664-E688 PolarHBondContact N-OE1 3.19Å; Q664-P689 CarbonylContact C-O 3.56Å; Q664-P689 CarbonylContact O-C 2.97Å; Q664-R690 HydrophobicContact CB-CG 4.08Å; Q664-R690 HydrophobicContact CG-CG 3.96Å; Q664-R690 WeakPolarHBondContact O-CA 3.06Å; Q664-R690 WeakPolarHBondContact O-CG 3.16Å; Q664-R690 PolarHBondContact O-N 3.49Å; Q664-R690 VanDerWaalsContact OE1-NE 3.16Å |
| 665 | Q | 36.3 | Very low | 34.7 | Very low | 77 Ų | 77 | 124.6 Ų | 124.6 | 36% | 0.36 | 62% | 0.624 | S | S | . | * | | | | 83.7 | 135.7 | 129.6 | -159 | -169 | 23.5 | 0 | 0 | 129.5 | P689 R690 S691 | Q665-P689 CarbonylContact C-O 3.6Å; Q665-P689 PolarHBondContact N-O 3.12Å; Q665-P689 CarbonylContact O-C 3.56Å; Q665-P689 VanDerWaalsContact O-C 3.3Å; Q665-R690 CarbonylContact O-C 3.51Å; Q665-R690 WeakPolarHBondContact O-CA 3.48Å; Q665-R690 PolarHBondContact O-N 3.16Å; Q665-R690 VanDerWaalsContact O-N 3.12Å; Q665-S691 PolarHBondContact O-N 2.89Å; Q665-S691 PolarHBondContact OE1-OG 3.04Å |
| 666 | Q | 36.3 | Very low | 35.4 | Very low | 111 Ų | 111 | 125.7 Ų | 125.7 | 52% | 0.519 | 63% | 0.627 | S | S | . | * | | | trans | 62.1 | 163.7 | 153.7 | -97.3 | 172.1 | 86.8 | 0 | 0 | 122.9 | S691 M692 | Q666-S691 WeakPolarHBondContact CB-O 3.37Å; Q666-S691 VanDerWaalsContact CD-O 3.3Å; Q666-S691 PolarHBondContact OE1-O 2.67Å; Q666-M692 VanDerWaalsContact OE1-CA 3.27Å |
| 667 | Q | 36.5 | Very low | 35 | Very low | 104 Ų | 104 | 125.5 Ų | 125.5 | 49% | 0.486 | 63% | 0.626 | S | S | . | * | | | cis | -139.1 | 158.6 | 12.1 | -86.1 | -147.6 | -26.6 | 0 | 0 | 117.5 | S691 M692 T693 | Q667-S691 VanDerWaalsContact CG-O 3.23Å; Q667-S691 WeakPolarHBondContact CG-O 3.41Å; Q667-M692 PolarHBondContact NE2-O 2.98Å; Q667-T693 PolarHBondContact NE2-O 2.94Å |
| 668 | H | 35.3 | Very low | 35 | Very low | 121 Ų | 121 | 125.6 Ų | 125.6 | 56% | 0.56 | 62% | 0.622 | S | S | * | * | | | trans | 38.8 | 112.7 | 151.8 | -72.2 | -77.5 | 0 | 0 | 0 | 127.1 | | |
| 669 | H | 33.9 | Very low | 34.9 | Very low | 146 Ų | 146 | 129.5 Ų | 129.5 | 68% | 0.676 | 63% | 0.628 | S | S | * | * | | | | 88.6 | 110.8 | 118.8 | -75.4 | 4.3 | 0 | 0 | 0 | 124.9 | | |
| 670 | H | 32.3 | Very low | 34.1 | Very low | 148 Ų | 148 | 131.4 Ų | 131.4 | 69% | 0.685 | 63% | 0.627 | S | S | * | * | | | | 91.7 | 130.3 | 128.1 | -87.3 | 35.7 | 0 | 0 | 0 | 121.6 | | |
| 671 | H | 29.4 | Very low | 33.5 | Very low | 160 Ų | 160 | 130 Ų | 130 | 74% | 0.741 | 62% | 0.621 | S | S | * | * | | | trans | 56.1 | 115.2 | 164.3 | -58.3 | -63.3 | 0 | 0 | 0 | 120.6 | | |
| 672 | H | 30.3 | Very low | 32.8 | Very low | 101 Ų | 101 | 131.7 Ų | 131.7 | 47% | 0.468 | 62% | 0.619 | S | S | . | * | | | trans | 81.4 | 116.7 | 134 | -108.7 | -8 | 0 | 0 | 0 | 119 | N586 L587 | N586-H672 VanDerWaalsContact C-ND1 3.26Å; N586-H672 CarbonylContact O-C 3.42Å; N586-H672 VanDerWaalsContact O-CA 3.24Å; N586-H672 WeakPolarHBondContact O-CA 3.23Å; N586-H672 PolarHBondContact O-ND1 2.91Å; N586-H672 PolarHBondContact OD1-CE1 3.18Å; N586-H672 VanDerWaalsContact OD1-CE1 3.28Å; L587-H672 WeakPolarHBondContact CA-ND1 3.46Å; L587-H672 HydrophobicContact CB-CB 4.45Å; L587-H672 HydrophobicContact CD2-CB 3.55Å; L587-H672 HydrophobicContact CG-CB 3.68Å; L587-H672 WeakPolarHBondContact CG-O 3.46Å |
| 673 | R | 28.7 | Very low | 32.7 | Very low | 174 Ų | 174 | 130.8 Ų | 130.8 | 66% | 0.657 | 61% | 0.612 | S | S | * | * | B | Isolated β-bridge | trans | -158.2 | 139.7 | 142.3 | -178.5 | 58.8 | -159.6 | -119.2 | 11 | 112.2 | P585 N586 L587 | P585-R673 CarbonylContact C-O 3.45Å; P585-R673 VanDerWaalsContact CB-O 3.23Å; P585-R673 WeakPolarHBondContact CB-O 3.29Å; P585-R673 WeakPolarHBondContact CG-O 3.24Å; N586-R673 CarbonylContact C-O 2.75Å; N586-R673 PolarHBondContact N-O 3.31Å; N586-R673 CarbonylContact O-C 3.19Å; N586-R673 WeakPolarHBondContact O-CA 3.47Å; N586-R673 PolarHBondContact O-N 3.16Å; L587-R673 HydrophobicContact CD1-CB 4.02Å; L587-R673 HydrophobicContact CD1-CG 4.19Å; L587-R673 HydrophobicContact CG-CB 4.4Å |
| 674 | Q | 29.7 | Very low | 32.3 | Very low | 83 Ų | 83 | 130.7 Ų | 130.7 | 39% | 0.388 | 61% | 0.614 | S | S | . | * | | | trans | -104.1 | 152.3 | 178.9 | -165.9 | 163.5 | 68.1 | 0 | 0 | 111.8 | L587 | L587-Q674 HydrophobicContact CB-CB 4.28Å; L587-Q674 PolarHBondContact O-NE2 3.32Å; L587-Q674 PolarHBondContact O-OE1 3.22Å |
| 675 | E | 28.2 | Very low | 31.9 | Very low | 140 Ų | 140 | 134 Ų | 134 | 65% | 0.654 | 63% | 0.634 | S | S | * | * | | | trans | 67.2 | 162.9 | 173.1 | -59.1 | -123.8 | 83.5 | 0 | 0 | 118 | | |
| 676 | M | 39.8 | Very low | 31.7 | Very low | 156 Ų | 156 | 134.3 Ų | 134.3 | 77% | 0.768 | 64% | 0.638 | S | S | * | * | | | trans | -47.8 | 166.2 | 158.3 | -76.6 | -179.2 | -72 | 0 | 0 | 112.1 | | |
| 677 | P | 39.4 | Very low | 31.4 | Very low | 96 Ų | 96 | 136 Ų | 136 | 62% | 0.623 | 65% | 0.65 | S | S | * | * | | | cis | -133.9 | -170.2 | 32.2 | 21.1 | 7.7 | 0 | 0 | 0 | 113.6 | | |
| 678 | H | 31.7 | Very low | 31.3 | Very low | 159 Ų | 159 | 136.1 Ų | 136.1 | 74% | 0.736 | 65% | 0.651 | S | S | * | * | | | cis | -160.6 | 165.1 | 35.4 | -56 | 72 | 0 | 0 | 0 | 113 | | |
| 679 | Q | 30.3 | Very low | 31.4 | Very low | 186 Ų | 186 | 135.3 Ų | 135.3 | 87% | 0.869 | 66% | 0.656 | S | S | * | * | | | | -152.4 | 108.5 | 114.5 | -126.8 | -154 | 111.6 | 0 | 0 | 114.4 | | |
| 680 | Q | 27.9 | Very low | 31.2 | Very low | 153 Ų | 153 | 136.2 Ų | 136.2 | 72% | 0.715 | 65% | 0.654 | S | S | * | * | S | Bend | | -141.9 | 153.1 | 122.9 | -119.3 | -161 | 35.6 | 0 | 0 | 108 | | |
| 681 | H | 29.9 | Very low | 30.8 | Very low | 148 Ų | 148 | 131 Ų | 131 | 69% | 0.685 | 63% | 0.634 | S | S | * | * | S | Bend | trans | 63.8 | 88.3 | -178.7 | -69.3 | 89.9 | 0 | 0 | 0 | 118.3 | | |
| 682 | Q | 28.9 | Very low | 30.7 | Very low | 148 Ų | 148 | 129.4 Ų | 129.4 | 69% | 0.692 | 63% | 0.628 | S | S | * | * | | | trans | 73.8 | 147 | 133.1 | -43.5 | -136.7 | 106.3 | 0 | 0 | 119.4 | | |
| 683 | Q | 27.4 | Very low | 30.6 | Very low | 139 Ų | 139 | 128 Ų | 128 | 65% | 0.65 | 63% | 0.627 | S | S | * | * | | | cis | -160.6 | 137.2 | -20.8 | -107.7 | -169.4 | 26.8 | 0 | 0 | 109.5 | | |
| 684 | I | 30.8 | Very low | 30.6 | Very low | 135 Ų | 135 | 127.6 Ų | 127.6 | 69% | 0.692 | 63% | 0.632 | S | S | * | * | | | trans | 70.7 | 98 | 138.8 | -57.9 | 177.4 | 0 | 0 | 0 | 121.5 | | |
| 685 | N | 26.7 | Very low | 30.7 | Very low | 130 Ų | 130 | 133 Ų | 133 | 70% | 0.695 | 66% | 0.657 | S | S | * | * | | | | 90 | 151 | 122.8 | -115.9 | -15.6 | 0 | 0 | 0 | 128 | | |
| 686 | L | 33.2 | Very low | 30.7 | Very low | 83 Ų | 83 | 129.8 Ų | 129.8 | 44% | 0.435 | 66% | 0.662 | S | S | . | * | | | trans | 80.2 | 115.1 | 145.6 | -74.9 | 159.5 | 0 | 0 | 0 | 126.2 | L393 | L393-L686 HydrophobicContact CD1-CB 3.74Å; L393-L686 HydrophobicContact CD1-CD1 4Å; L393-L686 HydrophobicContact CD2-CB 3.73Å; L393-L686 HydrophobicContact CG-CB 4.37Å |
| 687 | N | 28.3 | Very low | 30.4 | Very low | 146 Ų | 146 | 131.2 Ų | 131.2 | 78% | 0.781 | 67% | 0.667 | S | S | * | * | | | trans | 54.3 | 160.1 | 132.5 | -69.7 | 21.7 | 0 | 0 | 0 | 126.7 | | |
| 688 | E | 34.7 | Very low | 30.1 | Very low | 106 Ų | 106 | 134.9 Ų | 134.9 | 50% | 0.495 | 68% | 0.681 | S | S | . | * | | | trans | -68.5 | 157.9 | -172 | -61.9 | 167.8 | 102.9 | 0 | 0 | 117.2 | H663 Q664 | H663-E688 WeakPolarHBondContact CA-OE1 3.42Å; H663-E688 WeakPolarHBondContact CA-OE2 2.8Å; H663-E688 IonicContact CE1-OE1 3.77Å; H663-E688 IonicContact CG-OE1 3.79Å; H663-E688 PolarHBondContact N-OE2 2.94Å; H663-E688 IonicContact ND1-OE1 3.58Å; H663-E688 PolarHBondContact ND1-OE1 2.86Å; Q664-E688 VanDerWaalsContact N-CD 3.29Å; Q664-E688 PolarHBondContact N-OE1 3.19Å |
| 689 | P | 37.4 | Very low | 30.4 | Very low | 105 Ų | 105 | 132.4 Ų | 132.4 | 68% | 0.682 | 68% | 0.679 | S | S | * | * | | | | -144.4 | -138.5 | 118.9 | 42.6 | -27.6 | 0 | 0 | 0 | 114.7 | Q664 Q665 | Q664-P689 CarbonylContact C-O 3.56Å; Q664-P689 CarbonylContact O-C 2.97Å; Q665-P689 CarbonylContact C-O 3.6Å; Q665-P689 PolarHBondContact N-O 3.12Å; Q665-P689 CarbonylContact O-C 3.56Å; Q665-P689 VanDerWaalsContact O-C 3.3Å |
| 690 | R | 29.8 | Very low | 30.5 | Very low | 165 Ų | 165 | 132.6 Ų | 132.6 | 62% | 0.623 | 68% | 0.677 | S | S | * | * | | | trans | -126.3 | 149 | -130.8 | -98.6 | -166.4 | -172 | -142.1 | 8.9 | 121.7 | Q664 Q665 | Q664-R690 HydrophobicContact CB-CG 4.08Å; Q664-R690 HydrophobicContact CG-CG 3.96Å; Q664-R690 WeakPolarHBondContact O-CA 3.06Å; Q664-R690 WeakPolarHBondContact O-CG 3.16Å; Q664-R690 PolarHBondContact O-N 3.49Å; Q664-R690 VanDerWaalsContact OE1-NE 3.16Å; Q665-R690 CarbonylContact O-C 3.51Å; Q665-R690 WeakPolarHBondContact O-CA 3.48Å; Q665-R690 PolarHBondContact O-N 3.16Å; Q665-R690 VanDerWaalsContact O-N 3.12Å |
| 691 | S | 24.5 | Very low | 30.8 | Very low | 38 Ų | 38 | 132.8 Ų | 132.8 | 27% | 0.266 | 68% | 0.678 | S | S | . | * | | | trans | 79.4 | 168.9 | 137.3 | -64 | 0 | 0 | 0 | 0 | 125.2 | Q665 Q666 Q667 | Q665-S691 PolarHBondContact O-N 2.89Å; Q665-S691 PolarHBondContact OE1-OG 3.04Å; Q666-S691 WeakPolarHBondContact CB-O 3.37Å; Q666-S691 VanDerWaalsContact CD-O 3.3Å; Q666-S691 PolarHBondContact OE1-O 2.67Å; Q667-S691 VanDerWaalsContact CG-O 3.23Å; Q667-S691 WeakPolarHBondContact CG-O 3.41Å |
| 692 | M | 27.8 | Very low | 30.8 | Very low | 126 Ų | 126 | 133.3 Ų | 133.3 | 62% | 0.621 | 68% | 0.681 | S | S | * | * | | | trans | -76.4 | 163.6 | -146.3 | -47.5 | 179.5 | -61.5 | 0 | 0 | 119.7 | Q666 Q667 | Q666-M692 VanDerWaalsContact OE1-CA 3.27Å; Q667-M692 PolarHBondContact NE2-O 2.98Å |
| 693 | T | 27.1 | Very low | 30.9 | Very low | 71 Ų | 71 | 132.7 Ų | 132.7 | 44% | 0.436 | 68% | 0.678 | S | S | . | * | | | trans | 61.7 | 170.3 | 143.7 | 47.1 | 0 | 0 | 0 | 0 | 117.4 | Q667 | Q667-T693 PolarHBondContact NE2-O 2.94Š|
| 694 | H | 29.6 | Very low | 31.3 | Very low | 166 Ų | 166 | 134.3 Ų | 134.3 | 77% | 0.769 | 69% | 0.685 | S | S | * | * | | | cis | -140.6 | 169.8 | 19.2 | -84.4 | -87.5 | 0 | 0 | 0 | 113.6 | | |
| 695 | H | 31.2 | Very low | 31.3 | Very low | 196 Ų | 196 | 130.7 Ų | 130.7 | 91% | 0.907 | 68% | 0.681 | S | S | * | * | | | trans | -74.8 | 159.9 | 154 | -68.1 | 10.6 | 0 | 0 | 0 | 110.8 | | |
| 696 | G | 27.9 | Very low | 31.6 | Very low | 74 Ų | 74 | 133.6 Ų | 133.6 | 76% | 0.763 | 69% | 0.69 | S | S | * | * | | | trans | 134.1 | 141.7 | 146.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 697 | Q | 33.4 | Very low | 31.3 | Very low | 186 Ų | 186 | 136.9 Ų | 136.9 | 87% | 0.869 | 71% | 0.714 | S | S | * | * | | | trans | -69.7 | 151.6 | 160.9 | -62.8 | 153 | -47.5 | 0 | 0 | 109.1 | P699 | Q697-P699 VanDerWaalsContact O-CD 3.29Å; Q697-P699 WeakPolarHBondContact O-CD 3.31Å |
| 698 | N | 33 | Very low | 31.3 | Very low | 172 Ų | 172 | 133.1 Ų | 133.1 | 92% | 0.92 | 71% | 0.709 | S | S | * | * | | | trans | -72.4 | 132.7 | 170.3 | -88.2 | -13.5 | 0 | 0 | 0 | 111.5 | | |
| 699 | P | 38.7 | Very low | 31.6 | Very low | 107 Ų | 107 | 133.8 Ų | 133.8 | 70% | 0.695 | 72% | 0.723 | S | S | * | * | | | trans | -130.8 | 116.7 | 162.2 | 31.1 | -10.2 | 0 | 0 | 0 | 113 | Q697 | Q697-P699 VanDerWaalsContact O-CD 3.29Å; Q697-P699 WeakPolarHBondContact O-CD 3.31Å |
| 700 | F | 32.4 | Very low | 31.2 | Very low | 190 Ų | 190 | 133.9 Ų | 133.9 | 83% | 0.833 | 71% | 0.709 | S | S | * | * | | | trans | 70.4 | 134 | 143 | -89.4 | -119.8 | 0 | 0 | 0 | 122.6 | | |
| 701 | H | 34.2 | Very low | 31.3 | Very low | 158 Ų | 158 | 130.6 Ų | 130.6 | 73% | 0.731 | 70% | 0.701 | S | S | * | * | | | trans | 77.7 | 121.5 | 143.9 | -95.7 | 65.6 | 0 | 0 | 0 | 122.8 | | |
| 702 | Q | 29.2 | Very low | 31.6 | Very low | 159 Ų | 159 | 133.9 Ų | 133.9 | 74% | 0.743 | 71% | 0.713 | S | S | * | * | | | trans | -61.9 | 122 | 147.9 | 176.5 | -147.9 | 113.6 | 0 | 0 | 109.7 | | |
| 703 | Q | 32.5 | Very low | 31.9 | Very low | 135 Ų | 135 | 131.9 Ų | 131.9 | 63% | 0.631 | 71% | 0.706 | S | S | * | * | | | | 177.3 | 140.4 | 117.9 | -93.6 | -168.9 | 87.6 | 0 | 0 | 112.5 | | |
| 704 | Q | 34.2 | Very low | 32.7 | Very low | 173 Ų | 173 | 131.5 Ų | 131.5 | 81% | 0.808 | 70% | 0.704 | S | S | * | * | | | trans | 27.6 | 138.5 | 141.5 | -44.8 | -175.2 | 42.2 | 0 | 0 | 120.5 | | |
| 705 | G | 32.1 | Very low | 32.6 | Very low | 59 Ų | 59 | 133 Ų | 133 | 61% | 0.608 | 70% | 0.703 | S | S | * | * | | | cis | 155 | 85.2 | -0.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 706 | H | 33.3 | Very low | 32.5 | Very low | 190 Ų | 190 | 126.4 Ų | 126.4 | 88% | 0.88 | 68% | 0.679 | S | S | * | * | | | trans | 66.2 | 173.8 | 159.5 | -55 | -80.4 | 0 | 0 | 0 | 119.7 | | |
| 707 | V | 26.1 | Very low | 32.6 | Very low | 153 Ų | 153 | 130.7 Ų | 130.7 | 93% | 0.927 | 68% | 0.679 | S | S | * | * | | | trans | 75.1 | 139.3 | 167.8 | -164.9 | 0 | 0 | 0 | 0 | 117 | | |
| 708 | G | 28.3 | Very low | 32.2 | Very low | 67 Ų | 67 | 127.7 Ų | 127.7 | 69% | 0.691 | 67% | 0.669 | S | S | * | * | | | trans | 129.8 | 129.3 | 162.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 709 | P | 41.8 | Very low | 33 | Very low | 120 Ų | 120 | 124.5 Ų | 124.5 | 78% | 0.779 | 66% | 0.658 | S | S | * | * | | | trans | -105.4 | 154.4 | 179.8 | 38.6 | -32.9 | 0 | 0 | 0 | 114.9 | | |
| 710 | R | 28.8 | Very low | 33.4 | Very low | 106 Ų | 106 | 124.3 Ų | 124.3 | 40% | 0.4 | 66% | 0.656 | S | S | . | * | | | trans | 15.3 | 127.4 | 141.3 | -47.5 | 172.8 | 118.6 | -103.3 | -1.4 | 117.8 | Q1033 K1034 N1035 | R710-Q1033 PolarHBondContact NH1-O 2.73Å; R710-K1034 VanDerWaalsContact CZ-C 3.41Å; R710-K1034 PolarHBondContact NH2-O 2.98Å; R710-N1035 VanDerWaalsContact CZ-O 3.23Å; R710-N1035 PolarHBondContact NE-O 3.24Å; R710-N1035 PolarHBondContact NH2-O 2.67Å |
| 711 | H | 32.4 | Very low | 33.3 | Very low | 97 Ų | 97 | 123.8 Ų | 123.8 | 45% | 0.449 | 66% | 0.657 | S | S | . | * | | | | -165.1 | -147.1 | 102.1 | -102.2 | -58.8 | 0 | 0 | 0 | 115.8 | V1031 P1032 Q1033 | H711-V1031 HydrophobicContact CB-CG1 3.77Å; H711-P1032 VanDerWaalsContact CE1-C 3.46Å; H711-Q1033 VanDerWaalsContact CE1-CA 3.43Å; H711-Q1033 WeakPolarHBondContact CE1-CA 3.43Å; H711-Q1033 PolarHBondContact CE1-N 2.88Å; H711-Q1033 VanDerWaalsContact NE2-CA 3.32Å; H711-Q1033 WeakPolarHBondContact NE2-CA 3.22Å; H711-Q1033 PolarHBondContact NE2-N 2.81Å |
| 712 | M | 30.2 | Very low | 33.3 | Very low | 106 Ų | 106 | 127.3 Ų | 127.3 | 52% | 0.522 | 66% | 0.663 | S | S | . | * | | | | -125.2 | 177.5 | -124.5 | -150.5 | 150 | 128.8 | 0 | 0 | 118.2 | Q1030 V1031 | M712-Q1030 WeakPolarHBondContact CB-O 3.46Å; M712-Q1030 WeakPolarHBondContact CG-O 3.34Å; M712-V1031 HydrophobicContact CB-CB 4.25Å; M712-V1031 HydrophobicContact CB-CG1 3.48Å; M712-V1031 VanDerWaalsContact CB-CG1 3.48Å; M712-V1031 WeakPolarHBondContact CE-O 3.42Å |
| 713 | N | 33.6 | Very low | 33.4 | Very low | 85 Ų | 85 | 126.1 Ų | 126.1 | 46% | 0.455 | 66% | 0.662 | S | S | . | * | | | trans | -69.7 | 147.9 | -166.6 | 179.1 | 84.8 | 0 | 0 | 0 | 116.2 | A1029 Q1030 | N713-A1029 CarbonylContact O-C 3.55Å; N713-Q1030 CarbonylContact O-C 3.58Å; N713-Q1030 WeakPolarHBondContact O-CA 3.15Å; N713-Q1030 PolarHBondContact O-N 2.95Å |
| 714 | P | 44.7 | Very low | 33.4 | Very low | 63 Ų | 63 | 127.4 Ų | 127.4 | 41% | 0.409 | 67% | 0.67 | S | S | . | * | | | trans | -117.8 | 150.4 | 157.2 | 5.2 | 18.5 | 0 | 0 | 0 | 116.6 | P1027 G1028 A1029 | P714-P1027 CarbonylContact C-O 2.83Å; P714-G1028 WeakPolarHBondContact CB-O 3.49Å; P714-A1029 VanDerWaalsContact CA-N 3.29Å; P714-A1029 WeakPolarHBondContact CA-O 3.39Å; P714-A1029 VanDerWaalsContact CB-N 3.27Å |
| 715 | R | 27.6 | Very low | 33.3 | Very low | 197 Ų | 197 | 125.4 Ų | 125.4 | 74% | 0.743 | 68% | 0.675 | S | S | * | * | | | trans | -130.4 | 118.5 | 178.7 | 167 | -108.2 | 176.9 | 87.3 | -0.3 | 118.7 | P1027 G1028 A1029 | R715-P1027 CarbonylContact C-O 3.09Å; R715-P1027 WeakPolarHBondContact CA-O 3.46Å; R715-P1027 PolarHBondContact N-O 2.89Å; R715-G1028 VanDerWaalsContact C-CA 3.47Å; R715-G1028 WeakPolarHBondContact O-CA 3.06Å; R715-A1029 PolarHBondContact N-O 3.41Å |
| 716 | S | 29.5 | Very low | 33.1 | Very low | 57 Ų | 57 | 129.6 Ų | 129.6 | 40% | 0.399 | 68% | 0.684 | S | S | . | * | | | trans | 146.3 | 131.2 | 142.2 | 68.3 | 0 | 0 | 0 | 0 | 122.3 | P1027 | S716-P1027 PolarHBondContact N-O 3.33Å; S716-P1027 WeakPolarHBondContact O-CD 3.23Å |
| 717 | Q | 29.4 | Very low | 33.1 | Very low | 165 Ų | 165 | 130.6 Ų | 130.6 | 77% | 0.771 | 68% | 0.68 | S | S | * | * | | | trans | 112.4 | 155.5 | 152.1 | -58.3 | -167.8 | 6.3 | 0 | 0 | 122 | | |
| 718 | N | 24.9 | Very low | 33.5 | Very low | 123 Ų | 123 | 131.5 Ų | 131.5 | 66% | 0.658 | 67% | 0.674 | S | S | * | * | | | trans | -124.9 | -177.3 | -170.7 | -84.9 | -12.3 | 0 | 0 | 0 | 110.9 | A1024 | N718-A1024 PolarHBondContact OD1-O 3.22Š|
| 719 | P | 49.6 | Very low | 33.7 | Very low | 104 Ų | 104 | 138.2 Ų | 138.2 | 68% | 0.675 | 68% | 0.678 | S | S | * | * | | | cis | -128.4 | -30.8 | -27.3 | 20.3 | -1.9 | 0 | 0 | 0 | 123.9 | | |
| 720 | P | 46.7 | Very low | 33 | Very low | 103 Ų | 103 | 139.6 Ų | 139.6 | 67% | 0.669 | 68% | 0.676 | S | S | * | * | | | | -130.1 | 169.9 | -114.9 | 42.6 | -28.6 | 0 | 0 | 0 | 120.9 | | |
| 721 | Q | 30.6 | Very low | 33.1 | Very low | 180 Ų | 180 | 142.1 Ų | 142.1 | 84% | 0.841 | 70% | 0.698 | S | S | * | * | | | trans | 84.2 | 152.1 | 149.4 | -77 | -105.1 | -16.7 | 0 | 0 | 122.5 | | |
| 722 | R | 34.3 | Very low | 33.5 | Very low | 231 Ų | 231 | 142.5 Ų | 142.5 | 87% | 0.872 | 71% | 0.707 | S | S | * | * | | | trans | 62.6 | 113 | -176.4 | -66.2 | -174.6 | 174.5 | -179.4 | -2.8 | 116 | | |
| 723 | N | 30.7 | Very low | 34.1 | Very low | 134 Ų | 134 | 142.7 Ų | 142.7 | 72% | 0.717 | 72% | 0.716 | S | S | * | * | | | cis | 94.6 | 123.3 | 24.4 | -158.1 | 15.6 | 0 | 0 | 0 | 115.1 | | |
| 724 | M | 32.8 | Very low | 33.8 | Very low | 162 Ų | 162 | 146.3 Ų | 146.3 | 80% | 0.798 | 73% | 0.734 | S | S | * | * | | | trans | 17.8 | 131 | 171.7 | -72.4 | -176.6 | -72.6 | 0 | 0 | 122 | | |
| 725 | S | 31.1 | Very low | 33.1 | Very low | 131 Ų | 131 | 148.4 Ų | 148.4 | 92% | 0.916 | 75% | 0.75 | S | S | * | * | | | trans | -151.6 | 154.5 | 139.3 | -86.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 726 | N | 28.4 | Very low | 33.6 | Very low | 147 Ų | 147 | 147.8 Ų | 147.8 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | | | trans | -88.9 | 164.6 | -168.8 | -157.3 | -9.9 | 0 | 0 | 0 | 113.6 | | |
| 727 | R | 34.6 | Very low | 34 | Very low | 211 Ų | 211 | 151 Ų | 151 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | | | trans | 22 | 123.7 | 148.5 | 176.7 | -169.1 | -72.5 | -146.2 | -1.4 | 118.5 | | |
| 728 | Q | 33.9 | Very low | 33.8 | Very low | 173 Ų | 173 | 149.9 Ų | 149.9 | 81% | 0.808 | 77% | 0.769 | S | S | * | * | | | | -167 | 131.2 | 124.3 | -107.5 | 175.5 | 35.7 | 0 | 0 | 116.3 | | |
| 729 | R | 32.6 | Very low | 34 | Very low | 208 Ų | 208 | 150.8 Ų | 150.8 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | | | trans | 42.2 | 129.8 | 142.3 | -62.8 | 176.7 | 104.9 | -102.8 | 4.6 | 122.2 | | |
| 730 | M | 27.4 | Very low | 33.5 | Very low | 148 Ų | 148 | 153.2 Ų | 153.2 | 73% | 0.729 | 77% | 0.771 | S | S | * | * | | | trans | -41.7 | 141.7 | 151.4 | -70.5 | -99.8 | -74.4 | 0 | 0 | 113.7 | T732 | M730-T732 HydrophobicContact CE-CG2 4.32Š|
| 731 | N | 30.3 | Very low | 33.1 | Very low | 159 Ų | 159 | 158.8 Ų | 158.8 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | | | trans | -124.4 | 105.9 | 155.4 | -92.8 | -5.8 | 0 | 0 | 0 | 109.5 | | |
| 732 | T | 39.8 | Very low | 33.2 | Very low | 105 Ų | 105 | 156.2 Ų | 156.2 | 64% | 0.644 | 77% | 0.771 | S | S | * | * | | | trans | -129.3 | 140.7 | 161.1 | 50.3 | 0 | 0 | 0 | 0 | 105.8 | M730 | M730-T732 HydrophobicContact CE-CG2 4.32Š|
| 733 | P | 42.7 | Very low | 33.2 | Very low | 110 Ų | 110 | 148 Ų | 148 | 71% | 0.714 | 75% | 0.748 | S | S | * | * | | | | -154 | 164.9 | 95.8 | 40.2 | -23.3 | 0 | 0 | 0 | 116.7 | | |
| 734 | I | 27.4 | Very low | 33.5 | Very low | 162 Ų | 162 | 148.6 Ų | 148.6 | 83% | 0.831 | 75% | 0.752 | S | S | * | * | | | trans | 68.3 | 141.3 | 148.4 | -71.5 | 160.8 | 0 | 0 | 0 | 116.6 | | |
| 735 | S | 31.6 | Very low | 33.9 | Very low | 107 Ų | 107 | 147 Ų | 147 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | | | cis | -129.5 | 161.1 | 13.9 | -29.2 | 0 | 0 | 0 | 0 | 114.1 | | |
| 736 | K | 37.9 | Very low | 34.7 | Very low | 183 Ų | 183 | 151.3 Ų | 151.3 | 80% | 0.796 | 74% | 0.742 | S | S | * | * | | | trans | -85 | 168.8 | 158.9 | -56 | 175.2 | -176.8 | 168.8 | 0 | 109.3 | M738 | K736-M738 HydrophobicContact CB-CB 4.38Š|
| 737 | P | 36.6 | Very low | 35.7 | Very low | 125 Ų | 125 | 150.5 Ų | 150.5 | 81% | 0.812 | 73% | 0.734 | S | S | * | * | | | | -106.1 | 149.6 | 58.8 | -5 | 25.9 | 0 | 0 | 0 | 112.5 | | |
| 738 | M | 26.6 | Very low | 36.2 | Very low | 141 Ų | 141 | 148 Ų | 148 | 70% | 0.695 | 74% | 0.735 | S | S | * | * | | | cis | 83.1 | 128.7 | 34.3 | -169.9 | 173.9 | 158.4 | 0 | 0 | 113.6 | K736 | K736-M738 HydrophobicContact CB-CB 4.38Š|
| 739 | Q | 29 | Very low | 36.5 | Very low | 143 Ų | 143 | 145.5 Ų | 145.5 | 67% | 0.668 | 73% | 0.734 | S | S | * | * | | | trans | 64.3 | 142.9 | -166.7 | -50.2 | -53.6 | -13.1 | 0 | 0 | 115.3 | | |
| 740 | H | 39.1 | Very low | 36.8 | Very low | 154 Ų | 154 | 142.2 Ų | 142.2 | 71% | 0.713 | 74% | 0.736 | S | S | * | * | | | cis | -135.2 | 141 | 1.4 | -146 | -85 | 0 | 0 | 0 | 109.5 | | |
| 741 | R | 38.7 | Very low | 37.1 | Very low | 220 Ų | 220 | 139 Ų | 139 | 83% | 0.83 | 73% | 0.734 | S | S | * | * | | | trans | -76.1 | -175.3 | 160.7 | -91.4 | 178.4 | 155.5 | 148.5 | -10 | 109 | | |
| 742 | N | 31.1 | Very low | 37.1 | Very low | 126 Ų | 126 | 136.4 Ų | 136.4 | 67% | 0.674 | 73% | 0.726 | S | S | * | * | | | trans | 97.8 | 156.3 | 159.5 | -47.2 | -9 | 0 | 0 | 0 | 117.8 | | |
| 743 | S | 35.9 | Very low | 36.6 | Very low | 58 Ų | 58 | 135.8 Ų | 135.8 | 41% | 0.406 | 73% | 0.731 | S | S | . | * | | | trans | 32.5 | 105.5 | 160.3 | 26.1 | 0 | 0 | 0 | 0 | 120.4 | E747 | S743-E747 WeakPolarHBondContact CB-OE1 3.25Š|
| 744 | N | 35.4 | Very low | 36 | Very low | 148 Ų | 148 | 137.4 Ų | 137.4 | 79% | 0.791 | 73% | 0.734 | S | S | * | * | | | trans | -148.1 | 67.5 | 139.7 | -99.4 | -88 | 0 | 0 | 0 | 107.8 | R746 | N744-R746 VanDerWaalsContact C-N 3.29Š|
| 745 | L | 42.2 | Very low | 36.3 | Very low | 127 Ų | 127 | 135.8 Ų | 135.8 | 67% | 0.665 | 73% | 0.731 | S | S | * | * | | | cis | 31.7 | 58.2 | 21.4 | -101.7 | 172.1 | 0 | 0 | 0 | 112.9 | E747 | L745-E747 HydrophobicContact CD2-CG 3.95Å; L745-E747 PolarHBondContact O-N 3.24Å |
| 746 | R | 48 | Very low | 36.1 | Very low | 223 Ų | 223 | 138.1 Ų | 138.1 | 84% | 0.842 | 74% | 0.736 | S | S | * | * | | | trans | -68.1 | 85.7 | 145.8 | -91.4 | -174.4 | 169.3 | 150.8 | 0.1 | 106.8 | N744 L748 | N744-R746 VanDerWaalsContact C-N 3.29Å; R746-L748 PolarHBondContact O-N 3.12Å; R746-L748 VanDerWaalsContact O-N 3.12Å |
| 747 | E | 50 | Low | 35.8 | Very low | 130 Ų | 130 | 136.8 Ų | 136.8 | 61% | 0.607 | 73% | 0.734 | S | S | * | * | | | trans | -42.3 | 114.7 | 156.3 | -67.3 | 148.2 | -149.9 | 0 | 0 | 107.2 | S743 L745 | S743-E747 WeakPolarHBondContact CB-OE1 3.25Å; L745-E747 HydrophobicContact CD2-CG 3.95Å; L745-E747 PolarHBondContact O-N 3.24Å |
| 748 | L | 44.1 | Very low | 35.4 | Very low | 158 Ų | 158 | 137.9 Ų | 137.9 | 83% | 0.827 | 73% | 0.733 | S | S | * | * | | | trans | -64.9 | 130.4 | 156.5 | -73.2 | 174 | 0 | 0 | 0 | 105.3 | R746 V750 | R746-L748 PolarHBondContact O-N 3.12Å; R746-L748 VanDerWaalsContact O-N 3.12Å; L748-V750 PolarHBondContact O-N 2.75Å |
| 749 | P | 40.5 | Very low | 35.4 | Very low | 120 Ų | 120 | 135.8 Ų | 135.8 | 78% | 0.779 | 73% | 0.732 | S | S | * | * | | | trans | -63.1 | 112.6 | -167.9 | 23.6 | -33.7 | 0 | 0 | 0 | 110.5 | A751 | P749-A751 PolarHBondContact O-N 2.81Å; P749-A751 VanDerWaalsContact O-N 3.16Å |
| 750 | V | 37.6 | Very low | 35.4 | Very low | 139 Ų | 139 | 134.7 Ų | 134.7 | 84% | 0.842 | 74% | 0.74 | S | S | * | * | | | trans | -63.7 | 112.7 | 159.7 | 177.6 | 0 | 0 | 0 | 0 | 105.9 | L748 | L748-V750 PolarHBondContact O-N 2.75Š|
| 751 | A | 35 | Very low | 35.1 | Very low | 81 Ų | 81 | 132.8 Ų | 132.8 | 67% | 0.669 | 74% | 0.744 | S | S | * | * | | | trans | -60.8 | 144.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | P749 | P749-A751 PolarHBondContact O-N 2.81Å; P749-A751 VanDerWaalsContact O-N 3.16Å |
| 752 | P | 30.7 | Very low | 34.9 | Very low | 105 Ų | 105 | 128 Ų | 128 | 68% | 0.682 | 74% | 0.742 | S | S | * | * | | | trans | -61.9 | 142.5 | -170.1 | 24.5 | -34.9 | 0 | 0 | 0 | 112.5 | N754 | P752-N754 PolarHBondContact O-N 2.81Š|
| 753 | A | 29 | Very low | 34.7 | Very low | 92 Ų | 92 | 126.3 Ų | 126.3 | 76% | 0.76 | 75% | 0.745 | S | S | * | * | | | trans | -67.6 | 95 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | T755 | A753-T755 PolarHBondContact O-N 3.17Š|
| 754 | N | 29.7 | Very low | 34.4 | Very low | 144 Ų | 144 | 127.8 Ų | 127.8 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | | | trans | -79.3 | 74.7 | 170.6 | -76.1 | -10 | 0 | 0 | 0 | 110.2 | P752 N756 | P752-N754 PolarHBondContact O-N 2.81Å; N754-N756 PolarHBondContact O-N 2.75Å |
| 755 | T | 34 | Very low | 34.2 | Very low | 127 Ų | 127 | 128 Ų | 128 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | | | trans | -62.5 | 110.9 | 158.7 | 48.4 | 0 | 0 | 0 | 0 | 108.4 | A753 | A753-T755 PolarHBondContact O-N 3.17Š|
| 756 | N | 27 | Very low | 33.7 | Very low | 157 Ų | 157 | 129.2 Ų | 129.2 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | | | trans | -107.3 | 107.4 | 165.5 | -165.1 | 25.5 | 0 | 0 | 0 | 109.4 | N754 | N754-N756 PolarHBondContact O-N 2.75Š|
| 757 | M | 31.8 | Very low | 33.1 | Very low | 154 Ų | 154 | 126.2 Ų | 126.2 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | | | trans | -68.9 | 137.5 | 169.1 | -67.9 | -71.4 | -171.8 | 0 | 0 | 109.5 | | |
| 758 | N | 27.5 | Very low | 33 | Very low | 149 Ų | 149 | 125 Ų | 125 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | | | trans | 169.6 | 104.8 | 137 | -85.9 | -16.2 | 0 | 0 | 0 | 108.4 | | |
| 759 | S | 26.5 | Very low | 32.2 | Very low | 97 Ų | 97 | 124 Ų | 124 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | | | | 82.7 | 101.5 | 67 | 73.9 | 0 | 0 | 0 | 0 | 113.7 | | |
| 760 | S | 28.7 | Very low | 31.6 | Very low | 120 Ų | 120 | 121.9 Ų | 121.9 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | | | trans | -178.7 | 125.6 | 132.3 | 32.4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 761 | S | 32.9 | Very low | 31.2 | Very low | 113 Ų | 113 | 126.6 Ų | 126.6 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | | | trans | -81.8 | 149.1 | 155 | -55.2 | 0 | 0 | 0 | 0 | 108.7 | | |
| 762 | P | 35.5 | Very low | 31 | Very low | 121 Ų | 121 | 129.1 Ų | 129.1 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | | | | -120.1 | 143.5 | 96 | -1.3 | 21.8 | 0 | 0 | 0 | 110.9 | | |
| 763 | A | 27 | Very low | 31.2 | Very low | 90 Ų | 90 | 130.1 Ų | 130.1 | 74% | 0.744 | 78% | 0.779 | S | S | * | * | | | cis | 86 | 143 | 40.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 764 | A | 30.3 | Very low | 31.8 | Very low | 89 Ų | 89 | 132 Ų | 132 | 74% | 0.736 | 78% | 0.783 | S | S | * | * | | | trans | 80.3 | 107.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 765 | N | 29.9 | Very low | 31.8 | Very low | 151 Ų | 151 | 128.6 Ų | 128.6 | 81% | 0.807 | 78% | 0.783 | S | S | * | * | | | | 41.9 | 135.6 | 128.6 | -56.3 | -26.3 | 0 | 0 | 0 | 121.9 | | |
| 766 | I | 31.7 | Very low | 31.6 | Very low | 153 Ų | 153 | 131.8 Ų | 131.8 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | | | | -179.3 | 131.7 | 105 | -86.8 | 150.7 | 0 | 0 | 0 | 110.3 | | |
| 767 | N | 36.7 | Very low | 31.6 | Very low | 161 Ų | 161 | 134.8 Ų | 134.8 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | | | trans | -109.6 | 143.1 | 154.3 | -81.3 | -32.5 | 0 | 0 | 0 | 106.7 | | |
| 768 | P | 46.1 | Very low | 32.2 | Very low | 105 Ų | 105 | 133.4 Ų | 133.4 | 68% | 0.682 | 79% | 0.793 | S | S | * | * | | | | -159.9 | 148.2 | 106.2 | 39.5 | -19.3 | 0 | 0 | 0 | 119.2 | | |
| 769 | V | 28.5 | Very low | 32.2 | Very low | 136 Ų | 136 | 128.7 Ų | 128.7 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | | | | 72.4 | 112.9 | 126.4 | 174.8 | 0 | 0 | 0 | 0 | 123.2 | | |
| 770 | A | 28.2 | Very low | 32.5 | Very low | 76 Ų | 76 | 133.3 Ų | 133.3 | 63% | 0.628 | 79% | 0.791 | S | S | * | * | | | | 65.1 | 132.9 | 127.8 | 0 | 0 | 0 | 0 | 0 | 123.1 | | |
| 771 | R | 29.2 | Very low | 32.4 | Very low | 237 Ų | 237 | 135.3 Ų | 135.3 | 89% | 0.894 | 79% | 0.792 | S | S | * | * | | | | 71.7 | 151.6 | 98.9 | -59.4 | 179.9 | 177.1 | -172.6 | -0.8 | 114.9 | | |
| 772 | T | 29.4 | Very low | 32.2 | Very low | 134 Ų | 134 | 134 Ų | 134 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | | | cis | -157.1 | 164.6 | 43.9 | 44.6 | 0 | 0 | 0 | 0 | 116.3 | | |
| 773 | T | 36.5 | Very low | 31.9 | Very low | 127 Ų | 127 | 136.7 Ų | 136.7 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | | | trans | -72.1 | 171.9 | 166.3 | 54.8 | 0 | 0 | 0 | 0 | 114.3 | | |
| 774 | P | 41.7 | Very low | 33.1 | Very low | 131 Ų | 131 | 137.5 Ų | 137.5 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | | | | -148.6 | 149.7 | 94.7 | 37.9 | -21.2 | 0 | 0 | 0 | 116 | | |
| 775 | G | 28.9 | Very low | 32.9 | Very low | 73 Ų | 73 | 137.1 Ų | 137.1 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | | | | 126.2 | 158.1 | 94.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 776 | M | 29.3 | Very low | 32.8 | Very low | 194 Ų | 194 | 141.3 Ų | 141.3 | 96% | 0.956 | 79% | 0.791 | S | S | * | * | | | cis | -145.8 | 180 | 3.8 | -76.5 | -178.2 | 61.4 | 0 | 0 | 112.6 | | |
| 777 | R | 28.3 | Very low | 32.6 | Very low | 219 Ų | 219 | 137.8 Ų | 137.8 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | | | trans | -101.7 | -164.9 | -173.1 | -123.6 | -169.7 | 168.7 | -178.1 | -2.3 | 111.9 | | |
| 778 | P | 43.8 | Very low | 32.1 | Very low | 126 Ų | 126 | 134.4 Ų | 134.4 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | cis | -131 | 179.4 | 12.7 | 40 | -20.4 | 0 | 0 | 0 | 116.1 | | |
| 779 | G | 27 | Very low | 31.2 | Very low | 50 Ų | 50 | 133.3 Ų | 133.3 | 52% | 0.515 | 80% | 0.803 | S | S | . | * | | | cis | 165.5 | 178.9 | -8.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 780 | Q | 33.5 | Very low | 31.1 | Very low | 194 Ų | 194 | 139.2 Ų | 139.2 | 91% | 0.907 | 81% | 0.81 | S | S | * | * | | | trans | 67.3 | 144.7 | 169 | -58.1 | -176.6 | 3.6 | 0 | 0 | 119 | | |
| 781 | N | 27 | Very low | 31 | Very low | 162 Ų | 162 | 138.8 Ų | 138.8 | 87% | 0.866 | 81% | 0.814 | S | S | * | * | | | cis | -162.7 | 174.5 | -27.5 | -163.7 | 16.8 | 0 | 0 | 0 | 110.8 | | |
| 782 | A | 27.2 | Very low | 30.9 | Very low | 85 Ų | 85 | 140.1 Ų | 140.1 | 70% | 0.702 | 82% | 0.819 | S | S | * | * | | | trans | 90.4 | 163.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 783 | Q | 30.3 | Very low | 31 | Very low | 178 Ų | 178 | 137 Ų | 137 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | | | trans | -160.5 | 174 | -159.8 | -84.4 | -76.9 | -35.9 | 0 | 0 | 108.1 | | |
| 784 | P | 51.1 | Low | 30.6 | Very low | 106 Ų | 106 | 139.9 Ų | 139.9 | 69% | 0.688 | 82% | 0.818 | S | S | * | * | | | cis | -133.7 | -169.1 | -8.3 | 37.1 | -17.1 | 0 | 0 | 0 | 114.8 | | |
| 785 | A | 27.4 | Very low | 29.9 | Very low | 82 Ų | 82 | 138.3 Ų | 138.3 | 68% | 0.678 | 82% | 0.817 | S | S | * | * | | | trans | 85.4 | 134.6 | 142.2 | 0 | 0 | 0 | 0 | 0 | 123.2 | | |
| 786 | Y | 28.3 | Very low | 29.9 | Very low | 239 Ų | 239 | 139.8 Ų | 139.8 | 94% | 0.937 | 82% | 0.822 | S | S | * | * | | | trans | 10.6 | 138.6 | 157.3 | -64.4 | -83.5 | 0 | 0 | 0 | 123 | | |
| 787 | G | 27.1 | Very low | 30 | Very low | 79 Ų | 79 | 138.8 Ų | 138.8 | 81% | 0.814 | 81% | 0.812 | S | S | * | * | | | trans | 146.1 | 120.5 | 150.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 788 | G | 25.8 | Very low | 30.4 | Very low | 89 Ų | 89 | 134.5 Ų | 134.5 | 92% | 0.918 | 81% | 0.813 | S | S | * | * | | | trans | -84 | 167.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 789 | G | 27.1 | Very low | 29.5 | Very low | 83 Ų | 83 | 135.4 Ų | 135.4 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | | | trans | 178.4 | 124.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 790 | R | 25.3 | Very low | 30.4 | Very low | 259 Ų | 259 | 138.1 Ų | 138.1 | 98% | 0.977 | 81% | 0.814 | S | S | * | * | | | trans | -70.1 | 146 | -178.6 | -44.7 | 168.7 | -168.4 | -92.3 | 5.2 | 112.7 | | |
| 791 | G | 27.9 | Very low | 30.1 | Very low | 68 Ų | 68 | 137.8 Ų | 137.8 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | | | trans | 169.3 | 118.4 | 160.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 792 | R | 26.4 | Very low | 30.1 | Very low | 264 Ų | 264 | 134.9 Ų | 134.9 | 100% | 0.996 | 81% | 0.811 | S | S | * | * | | | | 65.5 | 111.4 | 59.1 | -77.1 | -162.8 | 169.6 | -144.7 | -0.7 | 114.3 | | |
| 793 | G | 30.5 | Very low | 30 | Very low | 70 Ų | 70 | 134.5 Ų | 134.5 | 72% | 0.722 | 82% | 0.816 | S | S | * | * | | | trans | 156.9 | 83 | 177 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 794 | Q | 27.8 | Very low | 29.7 | Very low | 186 Ų | 186 | 135.6 Ų | 135.6 | 87% | 0.869 | 82% | 0.821 | S | S | * | * | | | | 65.2 | 110.1 | 71.3 | -71.6 | -89.2 | 58 | 0 | 0 | 114.6 | | |
| 795 | A | 27.4 | Very low | 28.6 | Very low | 99 Ų | 99 | 135.4 Ų | 135.4 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | | | trans | 54.8 | 108.8 | 146.8 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 796 | A | 30 | Very low | 28.6 | Very low | 104 Ų | 104 | 134.8 Ų | 134.8 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | | | trans | -140.8 | 112.6 | 141.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 797 | K | 31.1 | Very low | 28.5 | Very low | 172 Ų | 172 | 134.9 Ų | 134.9 | 75% | 0.748 | 83% | 0.829 | S | S | * | * | | | trans | -80.4 | 141.5 | 160.4 | -101.9 | -161.2 | 172 | -154.4 | 0 | 107.4 | E799 | K797-E799 IonicContact NZ-OE2 2.77Å; K797-E799 PolarHBondContact NZ-OE2 2.99Å |
| 798 | P | 36.1 | Very low | 28.5 | Very low | 130 Ų | 130 | 136.6 Ų | 136.6 | 84% | 0.844 | 82% | 0.823 | S | S | * | * | | | | -135.2 | -171.5 | 90.3 | 38.9 | -26.9 | 0 | 0 | 0 | 114.1 | | |
| 799 | E | 25.3 | Very low | 28.6 | Very low | 144 Ų | 144 | 138.3 Ų | 138.3 | 67% | 0.673 | 82% | 0.815 | S | S | * | * | | | trans | -144.9 | 154.8 | -162.4 | 178.6 | -175.1 | 138.1 | 0 | 0 | 107.4 | K797 | K797-E799 IonicContact NZ-OE2 2.77Å; K797-E799 PolarHBondContact NZ-OE2 2.99Å |
| 800 | P | 44.9 | Very low | 28.6 | Very low | 107 Ų | 107 | 140 Ų | 140 | 70% | 0.695 | 81% | 0.809 | S | S | * | * | | | cis | -129.6 | 166.5 | -28.2 | 37.2 | -22.4 | 0 | 0 | 0 | 113.8 | | |
| 801 | Q | 28.5 | Very low | 28.8 | Very low | 187 Ų | 187 | 134.7 Ų | 134.7 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | | | | 177 | 135.6 | 117.7 | -100.1 | -172.4 | -8.4 | 0 | 0 | 114.9 | | |
| 802 | A | 27.1 | Very low | 29.1 | Very low | 101 Ų | 101 | 138.1 Ų | 138.1 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | | | trans | 38.2 | 133.2 | 146 | 0 | 0 | 0 | 0 | 0 | 123.8 | | |
| 803 | G | 25.5 | Very low | 29.5 | Very low | 77 Ų | 77 | 133 Ų | 133 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | | | trans | 88.8 | 150.4 | 160 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 804 | E | 23 | Very low | 29.5 | Very low | 202 Ų | 202 | 137 Ų | 137 | 94% | 0.944 | 78% | 0.78 | S | S | * | * | | | cis | -156.7 | -169.9 | -16.7 | -146.4 | 179.1 | 146.3 | 0 | 0 | 109.1 | | |
| 805 | A | 27.5 | Very low | 30 | Very low | 101 Ų | 101 | 134 Ų | 134 | 84% | 0.835 | 78% | 0.775 | S | S | * | * | | | trans | -73.3 | 164.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 806 | G | 28.1 | Very low | 30.5 | Very low | 70 Ų | 70 | 134.6 Ų | 134.6 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | | | cis | 151.1 | 175.9 | -6.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 807 | R | 27.3 | Very low | 30.4 | Very low | 241 Ų | 241 | 137 Ų | 137 | 91% | 0.909 | 77% | 0.769 | S | S | * | * | | | trans | 82.6 | 160.9 | 160.7 | -152 | 178.8 | -168.8 | -119.6 | 1.6 | 120.2 | | |
| 808 | V | 25.6 | Very low | 30.4 | Very low | 115 Ų | 115 | 135.1 Ų | 135.1 | 70% | 0.697 | 77% | 0.772 | S | S | * | * | | | trans | 97 | 92.5 | 162.2 | -175.2 | 0 | 0 | 0 | 0 | 116.1 | | |
| 809 | V | 27.5 | Very low | 30.3 | Very low | 125 Ų | 125 | 135.5 Ų | 135.5 | 76% | 0.758 | 77% | 0.774 | S | S | * | * | | | | 99.3 | 148.4 | 85.9 | 150.6 | 0 | 0 | 0 | 0 | 113 | | |
| 810 | T | 27.8 | Very low | 30.7 | Very low | 117 Ų | 117 | 131.8 Ų | 131.8 | 72% | 0.718 | 77% | 0.765 | S | S | * | * | | | cis | -104.9 | -125.2 | 12.5 | -35.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 811 | Q | 29.1 | Very low | 30.5 | Very low | 148 Ų | 148 | 132.6 Ų | 132.6 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | | | cis | -148.9 | 176.7 | 12.1 | -127.6 | -58.3 | 87.4 | 0 | 0 | 112.6 | | |
| 812 | Q | 35.6 | Very low | 31.1 | Very low | 140 Ų | 140 | 124.4 Ų | 124.4 | 65% | 0.654 | 74% | 0.736 | S | S | * | * | | | trans | -95.8 | 173.7 | -171.9 | -59 | 170.5 | 80.1 | 0 | 0 | 113.5 | | |
| 813 | Q | 33.1 | Very low | 32.2 | Very low | 157 Ų | 157 | 124.8 Ų | 124.8 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | | | cis | -150.6 | -151.7 | 21.8 | -153.6 | 167.1 | -8.4 | 0 | 0 | 114.4 | | |
| 814 | E | 32.2 | Very low | 33.3 | Very low | 154 Ų | 154 | 126 Ų | 126 | 72% | 0.72 | 72% | 0.717 | S | S | * | * | | | trans | -105.3 | -145.3 | -138.5 | -65.5 | 161.1 | 80 | 0 | 0 | 120.5 | | |
| 815 | T | 37.8 | Very low | 35 | Very low | 124 Ų | 124 | 121.4 Ų | 121.4 | 76% | 0.761 | 70% | 0.695 | S | S | * | * | | | trans | -136.6 | -173.6 | -133.9 | 65.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 816 | P | 37.7 | Very low | 36.2 | Very low | 111 Ų | 111 | 121 Ų | 121 | 72% | 0.721 | 68% | 0.679 | S | S | * | * | | | | -153.4 | 160.8 | 108.6 | 39.7 | -21.9 | 0 | 0 | 0 | 119.9 | | |
| 817 | N | 28.3 | Very low | 37.7 | Very low | 154 Ų | 154 | 122.7 Ų | 122.7 | 82% | 0.824 | 68% | 0.677 | S | S | * | * | | | trans | 68.5 | 108.3 | 146.2 | -67.6 | -12.4 | 0 | 0 | 0 | 124.4 | | |
| 818 | T | 30 | Very low | 39.4 | Very low | 133 Ų | 133 | 118 Ų | 118 | 82% | 0.816 | 67% | 0.67 | S | S | * | * | | | trans | -148.1 | 147.6 | 130.3 | 28.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 819 | P | 35.6 | Very low | 41.3 | Very low | 137 Ų | 137 | 113.3 Ų | 113.3 | 89% | 0.89 | 64% | 0.641 | S | S | * | * | | | trans | -78 | 130.9 | -177.2 | 30.9 | -33.9 | 0 | 0 | 0 | 111.6 | | |
| 820 | S | 33.3 | Very low | 43.8 | Very low | 67 Ų | 67 | 113.2 Ų | 113.2 | 47% | 0.469 | 64% | 0.636 | S | S | . | * | | | trans | -131.9 | 119.3 | 174.4 | 57.9 | 0 | 0 | 0 | 0 | 112 | S822 | S820-S822 VanDerWaalsContact O-CB 3.28Å; S820-S822 WeakPolarHBondContact O-CB 3.41Å; S820-S822 PolarHBondContact O-N 3.15Å; S820-S822 PolarHBondContact O-OG 3.29Å; S820-S822 PolarHBondContact OG-OG 2.82Å |
| 821 | S | 40.1 | Very low | 46.5 | Very low | 124 Ų | 124 | 112.1 Ų | 112.1 | 87% | 0.867 | 62% | 0.623 | S | S | * | * | | | trans | -66.3 | 104.8 | 164.9 | -174.4 | 0 | 0 | 0 | 0 | 107.7 | | |
| 822 | S | 40.6 | Very low | 49 | Very low | 15 Ų | 15 | 113.1 Ų | 113.1 | 11% | 0.105 | 63% | 0.627 | C | S | . | * | | | trans | -140.3 | 76.7 | -155 | 52.2 | 0 | 0 | 0 | 0 | 112.7 | S820 P824 | S820-S822 VanDerWaalsContact O-CB 3.28Å; S820-S822 WeakPolarHBondContact O-CB 3.41Å; S820-S822 PolarHBondContact O-N 3.15Å; S820-S822 PolarHBondContact O-OG 3.29Å; S820-S822 PolarHBondContact OG-OG 2.82Å; S822-P824 WeakPolarHBondContact O-CD 3.3Å; S822-P824 VanDerWaalsContact O-N 3.16Å |
| 823 | I | 50 | Low | 51.3 | Low | 109 Ų | 109 | 109.4 Ų | 109.4 | 56% | 0.559 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 116.9 | 171.7 | -55.6 | 171.8 | 0 | 0 | 0 | 109 | R313 Q825 R837 | R313-I823 WeakPolarHBondContact CD-O 3.18Å; R313-I823 PolarHBondContact NE-O 2.7Å; I823-Q825 PolarHBondContact O-N 3.27Å; I823-R837 PolarHBondContact O-NH1 2.91Å |
| 824 | P | 50.2 | Low | 53.9 | Low | 102 Ų | 102 | 105.4 Ų | 105.4 | 66% | 0.662 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 136.8 | -177.8 | -29.6 | 35.7 | 0 | 0 | 0 | 112.3 | S822 R837 | S822-P824 WeakPolarHBondContact O-CD 3.3Å; S822-P824 VanDerWaalsContact O-N 3.16Å; P824-R837 PolarHBondContact O-NH1 3.1Å |
| 825 | Q | 57.3 | Low | 56.6 | Low | 105 Ų | 105 | 103 Ų | 103 | 49% | 0.491 | 58% | 0.581 | S | S | . | * | P | Polyproline II helix | trans | -84 | 121.9 | 162.8 | -71.1 | -164.3 | -98.4 | 0 | 0 | 107.3 | I823 E829 | I823-Q825 PolarHBondContact O-N 3.27Å; Q825-E829 VanDerWaalsContact CA-OE1 3.3Å; Q825-E829 WeakPolarHBondContact CA-OE1 3.45Å |
| 826 | D | 53.3 | Low | 59 | Low | 92 Ų | 92 | 104.5 Ų | 104.5 | 49% | 0.492 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -68.7 | 127.7 | 168.5 | 168.7 | -9.3 | 0 | 0 | 0 | 107.2 | D828 E829 | D826-D828 PolarHBondContact O-N 2.81Å; D826-D828 PolarHBondContact OD1-N 2.9Å; D826-E829 HydrophobicContact CB-CG 3.99Å; D826-E829 PolarHBondContact N-OE1 2.84Å; D826-E829 WeakPolarHBondContact O-CB 3.48Å; D826-E829 WeakPolarHBondContact O-CG 3.33Å; D826-E829 PolarHBondContact O-N 3.35Å; D826-E829 VanDerWaalsContact O-N 3.07Å |
| 827 | P | 60.3 | Low | 61.6 | Low | 106 Ų | 106 | 102.5 Ų | 102.5 | 69% | 0.688 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | -27.5 | -173.9 | 24.5 | -35.2 | 0 | 0 | 0 | 113 | E829 R834 | P827-E829 VanDerWaalsContact C-N 3.34Å; P827-R834 PolarHBondContact O-NH2 2.99Å |
| 828 | D | 63.1 | Low | 64.7 | Low | 142 Ų | 142 | 99.8 Ų | 99.8 | 76% | 0.759 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | 6.5 | -178.9 | -67.1 | -22.1 | 0 | 0 | 0 | 112.8 | D826 D830 | D826-D828 PolarHBondContact O-N 2.81Å; D826-D828 PolarHBondContact OD1-N 2.9Å; D828-D830 PolarHBondContact O-N 3.35Å; D828-D830 VanDerWaalsContact O-N 3.08Å |
| 829 | E | 64.8 | Low | 67.8 | Low | 18 Ų | 18 | 99.4 Ų | 99.4 | 8% | 0.084 | 52% | 0.524 | C | S | . | . | | | trans | -59.2 | 113.3 | 172.9 | -81.9 | 176.9 | -122.4 | 0 | 0 | 112.1 | Q825 D826 P827 T833 R834 R837 | Q825-E829 VanDerWaalsContact CA-OE1 3.3Å; Q825-E829 WeakPolarHBondContact CA-OE1 3.45Å; D826-E829 HydrophobicContact CB-CG 3.99Å; D826-E829 PolarHBondContact N-OE1 2.84Å; D826-E829 WeakPolarHBondContact O-CB 3.48Å; D826-E829 WeakPolarHBondContact O-CG 3.33Å; D826-E829 PolarHBondContact O-N 3.35Å; D826-E829 VanDerWaalsContact O-N 3.07Å; P827-E829 VanDerWaalsContact C-N 3.34Å; E829-T833 HydrophobicContact CB-CG2 4.48Å; E829-T833 HydrophobicContact CG-CG2 4.07Å; E829-R834 HydrophobicContact CB-CG 4Å; E829-R834 PolarHBondContact O-NE 3.05Å; E829-R834 PolarHBondContact O-NH2 2.87Å; E829-R834 VanDerWaalsContact O-NH2 3.15Å; E829-R837 IonicContact OE1-CZ 2.86Å; E829-R837 VanDerWaalsContact OE1-CZ 3.23Å; E829-R837 IonicContact OE1-NH1 3.68Å; E829-R837 IonicContact OE1-NH2 2.68Å; E829-R837 PolarHBondContact OE1-NH2 2.81Å; E829-R837 IonicContact OE2-CZ 2.74Å; E829-R837 IonicContact OE2-NE 3.58Å; E829-R837 PolarHBondContact OE2-NE 2.88Å; E829-R837 IonicContact OE2-NH2 2.62Å; E829-R837 PolarHBondContact OE2-NH2 2.87Å |
| 830 | D | 79.8 | Confident | 70.6 | Confident | 122 Ų | 122 | 96 Ų | 96 | 65% | 0.652 | 50% | 0.498 | S | S | * | . | | | trans | -46.6 | 143.3 | 165.6 | -72.6 | -56.6 | 0 | 0 | 0 | 111.8 | D828 E832 T833 R834 | D828-D830 PolarHBondContact O-N 3.35Å; D828-D830 VanDerWaalsContact O-N 3.08Å; D830-E832 PolarHBondContact O-N 3.08Å; D830-E832 VanDerWaalsContact O-N 3.13Å; D830-T833 WeakPolarHBondContact O-CA 3.28Å; D830-T833 VanDerWaalsContact O-CB 3.32Å; D830-T833 WeakPolarHBondContact O-CB 3.48Å; D830-T833 PolarHBondContact O-N 2.83Å; D830-R834 PolarHBondContact O-N 3.24Å; D830-R834 VanDerWaalsContact O-N 3.17Å |
| 831 | E | 84.9 | Confident | 73.5 | Confident | 95 Ų | 95 | 97.5 Ų | 97.5 | 44% | 0.444 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.5 | -31.3 | -178.3 | -175.1 | 61 | -155.5 | 0 | 0 | 112.1 | T833 R834 Q835 | E831-T833 VanDerWaalsContact C-N 3.35Å; E831-T833 PolarHBondContact O-N 3.34Å; E831-R834 WeakPolarHBondContact O-CB 3.26Å; E831-R834 PolarHBondContact O-N 3.2Å; E831-Q835 HydrophobicContact CG-CG 4.43Å; E831-Q835 VanDerWaalsContact O-CG 3.29Å; E831-Q835 WeakPolarHBondContact O-CG 3.44Å; E831-Q835 PolarHBondContact O-N 2.89Å; E831-Q835 PolarHBondContact OE1-NE2 2.81Å |
| 832 | E | 81.7 | Confident | 76.1 | Confident | 168 Ų | 168 | 97 Ų | 97 | 79% | 0.785 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -60.7 | -40.9 | 172.7 | -174 | 171.3 | -172.1 | 0 | 0 | 112.4 | D830 R834 Q835 Y836 | D830-E832 PolarHBondContact O-N 3.08Å; D830-E832 VanDerWaalsContact O-N 3.13Å; E832-R834 VanDerWaalsContact C-N 3.33Å; E832-R834 PolarHBondContact O-N 3.23Å; E832-Q835 PolarHBondContact O-N 3.19Å; E832-Y836 WeakPolarHBondContact O-CB 3.48Å; E832-Y836 PolarHBondContact O-N 3.01Å |
| 833 | T | 83.9 | Confident | 78.7 | Confident | 63 Ų | 63 | 102.2 Ų | 102.2 | 39% | 0.387 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.9 | -38 | 175.1 | -60.7 | 0 | 0 | 0 | 0 | 111.2 | E829 D830 E831 Y836 R837 | E829-T833 HydrophobicContact CB-CG2 4.48Å; E829-T833 HydrophobicContact CG-CG2 4.07Å; D830-T833 WeakPolarHBondContact O-CA 3.28Å; D830-T833 VanDerWaalsContact O-CB 3.32Å; D830-T833 WeakPolarHBondContact O-CB 3.48Å; D830-T833 PolarHBondContact O-N 2.83Å; E831-T833 VanDerWaalsContact C-N 3.35Å; E831-T833 PolarHBondContact O-N 3.34Å; T833-Y836 PolarHBondContact O-N 2.9Å; T833-R837 WeakPolarHBondContact O-CB 3.43Å; T833-R837 PolarHBondContact O-N 3.42Å |
| 834 | R | 87.4 | Confident | 80.8 | Confident | 73 Ų | 73 | 103.4 Ų | 103.4 | 28% | 0.275 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.5 | -44.9 | 176.2 | -59.2 | 179.1 | -179.9 | -178.6 | -1.6 | 111.6 | P827 E829 D830 E831 E832 R837 L838 | P827-R834 PolarHBondContact O-NH2 2.99Å; E829-R834 HydrophobicContact CB-CG 4Å; E829-R834 PolarHBondContact O-NE 3.05Å; E829-R834 PolarHBondContact O-NH2 2.87Å; E829-R834 VanDerWaalsContact O-NH2 3.15Å; D830-R834 PolarHBondContact O-N 3.24Å; D830-R834 VanDerWaalsContact O-N 3.17Å; E831-R834 WeakPolarHBondContact O-CB 3.26Å; E831-R834 PolarHBondContact O-N 3.2Å; E832-R834 VanDerWaalsContact C-N 3.33Å; E832-R834 PolarHBondContact O-N 3.23Å; R834-R837 PolarHBondContact O-N 3.06Å; R834-L838 PolarHBondContact O-N 2.86Å |
| 835 | Q | 88.9 | Confident | 83.1 | Confident | 102 Ų | 102 | 107.1 Ų | 107.1 | 48% | 0.477 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.8 | -39.1 | 174.6 | -65.3 | -61.3 | -32.4 | 0 | 0 | 111.7 | E831 E832 L838 K839 | E831-Q835 HydrophobicContact CG-CG 4.43Å; E831-Q835 VanDerWaalsContact O-CG 3.29Å; E831-Q835 WeakPolarHBondContact O-CG 3.44Å; E831-Q835 PolarHBondContact O-N 2.89Å; E831-Q835 PolarHBondContact OE1-NE2 2.81Å; E832-Q835 PolarHBondContact O-N 3.19Å; Q835-L838 PolarHBondContact O-N 2.8Å; Q835-K839 VanDerWaalsContact O-CB 3.31Å; Q835-K839 WeakPolarHBondContact O-CB 3.2Å; Q835-K839 PolarHBondContact O-N 3.18Å |
| 836 | Y | 87.8 | Confident | 85 | Confident | 156 Ų | 156 | 106.3 Ų | 106.3 | 61% | 0.612 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.7 | -40.2 | 175.1 | -175.9 | -114.8 | 0 | 0 | 0 | 112.6 | E832 T833 K839 I840 | E832-Y836 WeakPolarHBondContact O-CB 3.48Å; E832-Y836 PolarHBondContact O-N 3.01Å; T833-Y836 PolarHBondContact O-N 2.9Å; Y836-K839 PolarHBondContact O-N 3.21Å; Y836-I840 HydrophobicContact CD1-CD1 3.96Å; Y836-I840 HydrophobicContact CE1-CD1 3.52Å; Y836-I840 HydrophobicContact CE2-CD1 4.35Å; Y836-I840 WeakPolarHBondContact O-CG1 3.39Å; Y836-I840 PolarHBondContact O-N 2.78Å |
| 837 | R | 93.3 | Very high | 86.9 | Confident | 69 Ų | 69 | 110.6 Ų | 110.6 | 26% | 0.26 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.9 | -47.9 | 173.6 | -173 | -178.1 | -61.1 | -143.4 | -2.9 | 111.5 | I823 P824 E829 T833 R834 K839 I840 E841 | I823-R837 PolarHBondContact O-NH1 2.91Å; P824-R837 PolarHBondContact O-NH1 3.1Å; E829-R837 IonicContact OE1-CZ 2.86Å; E829-R837 VanDerWaalsContact OE1-CZ 3.23Å; E829-R837 IonicContact OE1-NH1 3.68Å; E829-R837 IonicContact OE1-NH2 2.68Å; E829-R837 PolarHBondContact OE1-NH2 2.81Å; E829-R837 IonicContact OE2-CZ 2.74Å; E829-R837 IonicContact OE2-NE 3.58Å; E829-R837 PolarHBondContact OE2-NE 2.88Å; E829-R837 IonicContact OE2-NH2 2.62Å; E829-R837 PolarHBondContact OE2-NH2 2.87Å; T833-R837 WeakPolarHBondContact O-CB 3.43Å; T833-R837 PolarHBondContact O-N 3.42Å; R834-R837 PolarHBondContact O-N 3.06Å; R837-K839 VanDerWaalsContact C-N 3.33Å; R837-K839 PolarHBondContact O-N 3.43Å; R837-I840 PolarHBondContact O-N 3.02Å; R837-E841 PolarHBondContact O-N 3.31Å |
| 838 | L | 92.9 | Very high | 88.5 | Confident | 98 Ų | 98 | 111.7 Ų | 111.7 | 51% | 0.513 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.8 | -40.9 | 176.7 | -176.2 | 63.5 | 0 | 0 | 0 | 111.7 | R834 Q835 I840 E841 E842 | R834-L838 PolarHBondContact O-N 2.86Å; Q835-L838 PolarHBondContact O-N 2.8Å; L838-I840 PolarHBondContact O-N 3.21Å; L838-E841 WeakPolarHBondContact O-CB 3.46Å; L838-E841 PolarHBondContact O-N 2.94Å; L838-E841 VanDerWaalsContact O-N 3.16Å; L838-E842 WeakPolarHBondContact O-CB 3.44Å; L838-E842 PolarHBondContact O-N 2.87Å |
| 839 | K | 94.8 | Very high | 90.1 | Very high | 124 Ų | 124 | 109.8 Ų | 109.8 | 54% | 0.539 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.4 | -33.8 | 176.5 | -169.4 | 171.7 | -174 | 170.9 | 0 | 113.2 | Q835 Y836 R837 Q843 | Q835-K839 VanDerWaalsContact O-CB 3.31Å; Q835-K839 WeakPolarHBondContact O-CB 3.2Å; Q835-K839 PolarHBondContact O-N 3.18Å; Y836-K839 PolarHBondContact O-N 3.21Å; R837-K839 VanDerWaalsContact C-N 3.33Å; R837-K839 PolarHBondContact O-N 3.43Å; K839-Q843 WeakPolarHBondContact O-CB 3.48Å; K839-Q843 WeakPolarHBondContact O-CG 3.39Å; K839-Q843 PolarHBondContact O-N 2.78Å |
| 840 | I | 93.6 | Very high | 91.7 | Very high | 65 Ų | 65 | 113.3 Ų | 113.3 | 33% | 0.333 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.4 | -40.1 | 170.8 | -72.6 | 167.8 | 0 | 0 | 0 | 111 | Y836 R837 L838 Q843 K844 | Y836-I840 HydrophobicContact CD1-CD1 3.96Å; Y836-I840 HydrophobicContact CE1-CD1 3.52Å; Y836-I840 HydrophobicContact CE2-CD1 4.35Å; Y836-I840 WeakPolarHBondContact O-CG1 3.39Å; Y836-I840 PolarHBondContact O-N 2.78Å; R837-I840 PolarHBondContact O-N 3.02Å; L838-I840 PolarHBondContact O-N 3.21Å; I840-Q843 PolarHBondContact O-N 2.78Å; I840-K844 HydrophobicContact CG2-CD 4.42Å; I840-K844 WeakPolarHBondContact O-CG 3.35Å; I840-K844 PolarHBondContact O-N 2.79Å |
| 841 | E | 94.1 | Very high | 92.5 | Very high | 99 Ų | 99 | 112.4 Ų | 112.4 | 46% | 0.463 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.3 | -42.3 | 177.5 | -168.2 | 160.5 | -143 | 0 | 0 | 111.9 | R837 L838 K844 R845 | R837-E841 PolarHBondContact O-N 3.31Å; L838-E841 WeakPolarHBondContact O-CB 3.46Å; L838-E841 PolarHBondContact O-N 2.94Å; L838-E841 VanDerWaalsContact O-N 3.16Å; E841-K844 WeakPolarHBondContact O-CB 3.46Å; E841-K844 PolarHBondContact O-N 3.44Å; E841-R845 PolarHBondContact O-N 3.26Å |
| 842 | E | 95.1 | Very high | 93.1 | Very high | 115 Ų | 115 | 115 Ų | 115 | 54% | 0.537 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.5 | -46.5 | 171 | -176.9 | -179.5 | -132.3 | 0 | 0 | 111.9 | L838 K844 R845 L846 | L838-E842 WeakPolarHBondContact O-CB 3.44Å; L838-E842 PolarHBondContact O-N 2.87Å; E842-K844 VanDerWaalsContact C-N 3.3Å; E842-K844 PolarHBondContact O-N 2.92Å; E842-R845 PolarHBondContact O-N 3.38Å; E842-L846 HydrophobicContact CG-CD1 4.04Å; E842-L846 HydrophobicContact CG-CG 4.46Å; E842-L846 WeakPolarHBondContact O-CG 3.42Å; E842-L846 PolarHBondContact O-N 3.01Å |
| 843 | Q | 94.8 | Very high | 93.8 | Very high | 124 Ų | 124 | 116.1 Ų | 116.1 | 58% | 0.579 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.5 | -32.1 | 176 | -77.1 | -168.9 | -0.6 | 0 | 0 | 113.2 | K839 I840 R847 | K839-Q843 WeakPolarHBondContact O-CB 3.48Å; K839-Q843 WeakPolarHBondContact O-CG 3.39Å; K839-Q843 PolarHBondContact O-N 2.78Å; I840-Q843 PolarHBondContact O-N 2.78Å; Q843-R847 VanDerWaalsContact O-CB 3.23Å; Q843-R847 WeakPolarHBondContact O-CB 3.37Å; Q843-R847 PolarHBondContact O-N 2.85Å |
| 844 | K | 95.3 | Very high | 94.5 | Very high | 133 Ų | 133 | 119.7 Ų | 119.7 | 58% | 0.578 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.3 | -49.9 | 170.6 | -74.9 | 172.5 | 178.5 | -179.1 | 0 | 110.7 | I840 E841 E842 R847 E848 | I840-K844 HydrophobicContact CG2-CD 4.42Å; I840-K844 WeakPolarHBondContact O-CG 3.35Å; I840-K844 PolarHBondContact O-N 2.79Å; E841-K844 WeakPolarHBondContact O-CB 3.46Å; E841-K844 PolarHBondContact O-N 3.44Å; E842-K844 VanDerWaalsContact C-N 3.3Å; E842-K844 PolarHBondContact O-N 2.92Å; K844-R847 WeakPolarHBondContact O-CB 3.44Å; K844-R847 PolarHBondContact O-N 3.43Å; K844-E848 PolarHBondContact O-N 3.2Å |
| 845 | R | 97.6 | Very high | 94.9 | Very high | 181 Ų | 181 | 119.1 Ų | 119.1 | 68% | 0.683 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -58.3 | -48.6 | 177.9 | 178.9 | 179.4 | 170.5 | 173.6 | -1.4 | 112.2 | E841 E842 R847 E848 E849 | E841-R845 PolarHBondContact O-N 3.26Å; E842-R845 PolarHBondContact O-N 3.38Å; R845-R847 VanDerWaalsContact C-N 3.3Å; R845-R847 PolarHBondContact O-N 3.13Å; R845-E848 WeakPolarHBondContact O-CB 3.28Å; R845-E848 PolarHBondContact O-N 2.84Å; R845-E849 PolarHBondContact O-N 3.46Å |
| 846 | L | 97.8 | Very high | 95.3 | Very high | 88 Ų | 88 | 119.8 Ų | 119.8 | 46% | 0.461 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.9 | -37.8 | 177.2 | -71.5 | 170.8 | 0 | 0 | 0 | 112 | E842 I850 | E842-L846 HydrophobicContact CG-CD1 4.04Å; E842-L846 HydrophobicContact CG-CG 4.46Å; E842-L846 WeakPolarHBondContact O-CG 3.42Å; E842-L846 PolarHBondContact O-N 3.01Å; L846-I850 WeakPolarHBondContact O-CB 3.3Å; L846-I850 WeakPolarHBondContact O-CD1 3.43Å; L846-I850 WeakPolarHBondContact O-CG1 3.44Å; L846-I850 PolarHBondContact O-N 3.28Å |
| 847 | R | 92.3 | Very high | 95.7 | Very high | 181 Ų | 181 | 120.3 Ų | 120.3 | 68% | 0.683 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.3 | -40.8 | 175 | 177.6 | 176.2 | 175.3 | 162.4 | -2 | 112.1 | Q843 K844 R845 L851 | Q843-R847 VanDerWaalsContact O-CB 3.23Å; Q843-R847 WeakPolarHBondContact O-CB 3.37Å; Q843-R847 PolarHBondContact O-N 2.85Å; K844-R847 WeakPolarHBondContact O-CB 3.44Å; K844-R847 PolarHBondContact O-N 3.43Å; R845-R847 VanDerWaalsContact C-N 3.3Å; R845-R847 PolarHBondContact O-N 3.13Å; R847-L851 HydrophobicContact CG-CD1 4.28Å; R847-L851 WeakPolarHBondContact O-CG 3.44Å; R847-L851 PolarHBondContact O-N 3.4Å |
| 848 | E | 95.4 | Very high | 95.9 | Very high | 129 Ų | 129 | 123.7 Ų | 123.7 | 60% | 0.603 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.9 | -46 | 174.7 | -167.8 | -165.1 | 141.6 | 0 | 0 | 111.2 | K844 R845 I850 L851 K852 | K844-E848 PolarHBondContact O-N 3.2Å; R845-E848 WeakPolarHBondContact O-CB 3.28Å; R845-E848 PolarHBondContact O-N 2.84Å; E848-I850 PolarHBondContact O-N 3.41Å; E848-L851 CarbonylContact O-C 3.59Å; E848-L851 WeakPolarHBondContact O-CA 3.22Å; E848-L851 WeakPolarHBondContact O-CB 3.47Å; E848-L851 PolarHBondContact O-N 2.65Å; E848-K852 WeakPolarHBondContact O-CB 3.3Å; E848-K852 PolarHBondContact O-N 3.28Å |
| 849 | E | 96.4 | Very high | 96.1 | Very high | 102 Ų | 102 | 124.4 Ų | 124.4 | 48% | 0.477 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.6 | -42.6 | 177.7 | -167.4 | -174.9 | 143.7 | 0 | 0 | 111.9 | R845 L851 K852 R853 | R845-E849 PolarHBondContact O-N 3.46Å; E849-L851 VanDerWaalsContact C-N 3.3Å; E849-L851 PolarHBondContact O-N 3.3Å; E849-K852 PolarHBondContact O-N 2.99Å; E849-R853 WeakPolarHBondContact O-CB 3.34Å; E849-R853 PolarHBondContact O-N 2.86Å |
| 850 | I | 97.4 | Very high | 96.1 | Very high | 92 Ų | 92 | 124.1 Ų | 124.1 | 47% | 0.472 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -62.3 | -37.2 | 173.5 | -71.7 | 166.3 | 0 | 0 | 0 | 111.4 | L846 E848 K854 | L846-I850 WeakPolarHBondContact O-CB 3.3Å; L846-I850 WeakPolarHBondContact O-CD1 3.43Å; L846-I850 WeakPolarHBondContact O-CG1 3.44Å; L846-I850 PolarHBondContact O-N 3.28Å; E848-I850 PolarHBondContact O-N 3.41Å; I850-K854 HydrophobicContact CG2-CD 4.07Å; I850-K854 WeakPolarHBondContact O-CB 3.25Å; I850-K854 WeakPolarHBondContact O-CD 3.47Å; I850-K854 VanDerWaalsContact O-CG 3.23Å; I850-K854 WeakPolarHBondContact O-CG 3.39Å; I850-K854 PolarHBondContact O-N 2.93Å; I850-K854 VanDerWaalsContact O-N 3.1Å |
| 851 | L | 96.8 | Very high | 96 | Very high | 103 Ų | 103 | 125.9 Ų | 125.9 | 54% | 0.539 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.2 | -46.7 | 173.6 | -76.2 | 165.4 | 0 | 0 | 0 | 111.1 | R847 E848 E849 R853 K854 E855 | R847-L851 HydrophobicContact CG-CD1 4.28Å; R847-L851 WeakPolarHBondContact O-CG 3.44Å; R847-L851 PolarHBondContact O-N 3.4Å; E848-L851 CarbonylContact O-C 3.59Å; E848-L851 WeakPolarHBondContact O-CA 3.22Å; E848-L851 WeakPolarHBondContact O-CB 3.47Å; E848-L851 PolarHBondContact O-N 2.65Å; E849-L851 VanDerWaalsContact C-N 3.3Å; E849-L851 PolarHBondContact O-N 3.3Å; L851-R853 VanDerWaalsContact C-N 3.35Å; L851-R853 PolarHBondContact O-N 3.16Å; L851-K854 CarbonylContact O-C 3.6Å; L851-K854 PolarHBondContact O-N 2.88Å; L851-K854 VanDerWaalsContact O-N 3.16Å; L851-E855 WeakPolarHBondContact O-CB 3.46Å; L851-E855 PolarHBondContact O-N 3.39Å |
| 852 | K | 98.1 | Very high | 95.9 | Very high | 151 Ų | 151 | 123.9 Ų | 123.9 | 66% | 0.657 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.3 | -38 | 177.7 | -167.1 | 171.8 | -175.6 | 172.8 | 0 | 112.6 | E848 E849 E855 L856 | E848-K852 WeakPolarHBondContact O-CB 3.3Å; E848-K852 PolarHBondContact O-N 3.28Å; E849-K852 PolarHBondContact O-N 2.99Å; K852-E855 WeakPolarHBondContact O-CB 3.41Å; K852-E855 PolarHBondContact O-N 3.34Å; K852-L856 WeakPolarHBondContact O-CB 3.29Å; K852-L856 PolarHBondContact O-N 2.76Å |
| 853 | R | 96.7 | Very high | 95.9 | Very high | 190 Ų | 190 | 120.2 Ų | 120.2 | 72% | 0.717 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -72.4 | -33.1 | 175.1 | -163.1 | 169.6 | -172.7 | 159.3 | 1.3 | 112.7 | E849 L851 R857 | E849-R853 WeakPolarHBondContact O-CB 3.34Å; E849-R853 PolarHBondContact O-N 2.86Å; L851-R853 VanDerWaalsContact C-N 3.35Å; L851-R853 PolarHBondContact O-N 3.16Å; R853-R857 WeakPolarHBondContact O-CB 3.19Å; R853-R857 PolarHBondContact O-N 3.12Å; R853-R857 VanDerWaalsContact O-N 3.16Å |
| 854 | K | 97.4 | Very high | 95.8 | Very high | 138 Ų | 138 | 118.8 Ų | 118.8 | 60% | 0.6 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -72.3 | -34.8 | 171 | -75.2 | 170.2 | -179.4 | 174.1 | 0 | 112.1 | I850 L851 R858 | I850-K854 HydrophobicContact CG2-CD 4.07Å; I850-K854 WeakPolarHBondContact O-CB 3.25Å; I850-K854 WeakPolarHBondContact O-CD 3.47Å; I850-K854 VanDerWaalsContact O-CG 3.23Å; I850-K854 WeakPolarHBondContact O-CG 3.39Å; I850-K854 PolarHBondContact O-N 2.93Å; I850-K854 VanDerWaalsContact O-N 3.1Å; L851-K854 CarbonylContact O-C 3.6Å; L851-K854 PolarHBondContact O-N 2.88Å; L851-K854 VanDerWaalsContact O-N 3.16Å; K854-R858 WeakPolarHBondContact O-CB 3.18Å; K854-R858 PolarHBondContact O-N 2.88Å |
| 855 | E | 96.9 | Very high | 95.6 | Very high | 62 Ų | 62 | 120.2 Ų | 120.2 | 29% | 0.29 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.7 | -56.1 | 173.3 | -176.7 | 57.5 | -131 | 0 | 0 | 110.3 | L851 K852 R857 R858 Q859 | L851-E855 WeakPolarHBondContact O-CB 3.46Å; L851-E855 PolarHBondContact O-N 3.39Å; K852-E855 WeakPolarHBondContact O-CB 3.41Å; K852-E855 PolarHBondContact O-N 3.34Å; E855-R857 VanDerWaalsContact C-N 3.32Å; E855-R857 PolarHBondContact O-N 2.68Å; E855-R858 CarbonylContact O-C 3.36Å; E855-R858 WeakPolarHBondContact O-CA 3.49Å; E855-R858 WeakPolarHBondContact O-CB 3.49Å; E855-R858 PolarHBondContact O-N 2.84Å; E855-R858 IonicContact OE1-CZ 2.68Å; E855-R858 IonicContact OE1-NH1 2.67Å; E855-R858 IonicContact OE1-NH2 3.59Å; E855-R858 PolarHBondContact OE1-NH2 3.41Å; E855-R858 IonicContact OE2-CZ 2.65Å; E855-R858 IonicContact OE2-NH1 2.64Å; E855-R858 PolarHBondContact OE2-NH1 3.45Å; E855-R858 IonicContact OE2-NH2 2.67Å; E855-R858 PolarHBondContact OE2-NH2 3.46Å; E855-Q859 WeakPolarHBondContact O-CG 3.42Å; E855-Q859 PolarHBondContact O-N 3.35Å; E855-Q859 PolarHBondContact OE1-NE2 2.82Å |
| 856 | L | 97.3 | Very high | 95.5 | Very high | 116 Ų | 116 | 118 Ų | 118 | 61% | 0.607 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -55.6 | -44 | 177 | -177 | 63 | 0 | 0 | 0 | 112.2 | K852 R858 Q859 M860 | K852-L856 WeakPolarHBondContact O-CB 3.29Å; K852-L856 PolarHBondContact O-N 2.76Å; L856-R858 VanDerWaalsContact C-N 3.32Å; L856-R858 PolarHBondContact O-N 3.39Å; L856-Q859 PolarHBondContact O-N 3.09Å; L856-M860 WeakPolarHBondContact O-CB 3.48Å; L856-M860 PolarHBondContact O-N 2.75Å |
| 857 | R | 96.1 | Very high | 95.4 | Very high | 167 Ų | 167 | 121.4 Ų | 121.4 | 63% | 0.63 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62 | -37.4 | 174.5 | -177.3 | 175.9 | -73.1 | -153.7 | -3.5 | 112.3 | R853 E855 Q861 | R853-R857 WeakPolarHBondContact O-CB 3.19Å; R853-R857 PolarHBondContact O-N 3.12Å; R853-R857 VanDerWaalsContact O-N 3.16Å; E855-R857 VanDerWaalsContact C-N 3.32Å; E855-R857 PolarHBondContact O-N 2.68Å; R857-Q861 WeakPolarHBondContact O-CB 3.46Å; R857-Q861 WeakPolarHBondContact O-CG 3.3Å; R857-Q861 PolarHBondContact O-N 2.81Å |
| 858 | R | 96.8 | Very high | 95.4 | Very high | 140 Ų | 140 | 116.3 Ų | 116.3 | 53% | 0.528 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69.6 | -39.9 | 176.1 | -168.1 | 176.1 | 77.4 | -98.2 | 2.1 | 111.6 | K854 E855 L856 Q861 A862 | K854-R858 WeakPolarHBondContact O-CB 3.18Å; K854-R858 PolarHBondContact O-N 2.88Å; E855-R858 CarbonylContact O-C 3.36Å; E855-R858 WeakPolarHBondContact O-CA 3.49Å; E855-R858 WeakPolarHBondContact O-CB 3.49Å; E855-R858 PolarHBondContact O-N 2.84Å; E855-R858 IonicContact OE1-CZ 2.68Å; E855-R858 IonicContact OE1-NH1 2.67Å; E855-R858 IonicContact OE1-NH2 3.59Å; E855-R858 PolarHBondContact OE1-NH2 3.41Å; E855-R858 IonicContact OE2-CZ 2.65Å; E855-R858 IonicContact OE2-NH1 2.64Å; E855-R858 PolarHBondContact OE2-NH1 3.45Å; E855-R858 IonicContact OE2-NH2 2.67Å; E855-R858 PolarHBondContact OE2-NH2 3.46Å; L856-R858 VanDerWaalsContact C-N 3.32Å; L856-R858 PolarHBondContact O-N 3.39Å; R858-Q861 PolarHBondContact O-N 3.32Å; R858-A862 VanDerWaalsContact O-CB 3.28Å; R858-A862 WeakPolarHBondContact O-CB 3.45Å; R858-A862 PolarHBondContact O-N 3.06Å |
| 859 | Q | 96.9 | Very high | 95.3 | Very high | 112 Ų | 112 | 115 Ų | 115 | 52% | 0.523 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.1 | -44.5 | 175.6 | -68 | 179.2 | 10.8 | 0 | 0 | 111.2 | E855 L856 A862 G863 | E855-Q859 WeakPolarHBondContact O-CG 3.42Å; E855-Q859 PolarHBondContact O-N 3.35Å; E855-Q859 PolarHBondContact OE1-NE2 2.82Å; L856-Q859 PolarHBondContact O-N 3.09Å; Q859-A862 PolarHBondContact O-N 3.17Å; Q859-G863 PolarHBondContact O-N 3.01Å |
| 860 | M | 94.5 | Very high | 95.1 | Very high | 119 Ų | 119 | 114.6 Ų | 114.6 | 59% | 0.586 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -58.8 | -48.2 | 172.8 | -170.9 | -169.6 | 82.8 | 0 | 0 | 111.8 | L856 A862 G863 V864 | L856-M860 WeakPolarHBondContact O-CB 3.48Å; L856-M860 PolarHBondContact O-N 2.75Å; M860-A862 VanDerWaalsContact C-N 3.33Å; M860-A862 PolarHBondContact O-N 2.8Å; M860-G863 PolarHBondContact O-N 2.88Å; M860-V864 WeakPolarHBondContact O-CG2 3.34Å; M860-V864 PolarHBondContact O-N 2.89Å |
| 861 | Q | 93.4 | Very high | 94.8 | Very high | 101 Ų | 101 | 116.2 Ų | 116.2 | 47% | 0.472 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.9 | -33.9 | 176.7 | -74.8 | -179.3 | -4 | 0 | 0 | 113.1 | R857 R858 R865 | R857-Q861 WeakPolarHBondContact O-CB 3.46Å; R857-Q861 WeakPolarHBondContact O-CG 3.3Å; R857-Q861 PolarHBondContact O-N 2.81Å; R858-Q861 PolarHBondContact O-N 3.32Å; Q861-R865 WeakPolarHBondContact O-CB 3.42Å; Q861-R865 WeakPolarHBondContact O-CG 3.29Å; Q861-R865 PolarHBondContact O-N 2.99Å |
| 862 | A | 90.1 | Very high | 94.6 | Very high | 57 Ų | 57 | 118.4 Ų | 118.4 | 47% | 0.471 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -70 | -37.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | R858 Q859 M860 K866 | R858-A862 VanDerWaalsContact O-CB 3.28Å; R858-A862 WeakPolarHBondContact O-CB 3.45Å; R858-A862 PolarHBondContact O-N 3.06Å; Q859-A862 PolarHBondContact O-N 3.17Å; M860-A862 VanDerWaalsContact C-N 3.33Å; M860-A862 PolarHBondContact O-N 2.8Å; A862-K866 VanDerWaalsContact O-CB 3.26Å; A862-K866 WeakPolarHBondContact O-CB 3.29Å; A862-K866 PolarHBondContact O-N 3.02Å |
| 863 | G | 95.9 | Very high | 94 | Very high | 39 Ų | 39 | 116.3 Ų | 116.3 | 40% | 0.402 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.9 | -48.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q859 M860 R865 K866 K867 | Q859-G863 PolarHBondContact O-N 3.01Å; M860-G863 PolarHBondContact O-N 2.88Å; G863-R865 PolarHBondContact O-N 3.06Å; G863-K866 WeakPolarHBondContact O-CB 3.22Å; G863-K866 PolarHBondContact O-N 3.22Å; G863-K866 VanDerWaalsContact O-N 3.14Å; G863-K867 PolarHBondContact O-N 2.98Å |
| 864 | V | 93.6 | Very high | 93.4 | Very high | 93 Ų | 93 | 112.3 Ų | 112.3 | 56% | 0.564 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -58.9 | -48.1 | 174.4 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | M860 K866 K867 E868 | M860-V864 WeakPolarHBondContact O-CG2 3.34Å; M860-V864 PolarHBondContact O-N 2.89Å; V864-K866 VanDerWaalsContact C-N 3.31Å; V864-K866 PolarHBondContact O-N 3.3Å; V864-K867 PolarHBondContact O-N 3.14Å; V864-E868 WeakPolarHBondContact O-CB 3.31Å; V864-E868 PolarHBondContact O-N 2.66Å |
| 865 | R | 90.6 | Very high | 92.4 | Very high | 164 Ų | 164 | 108.8 Ų | 108.8 | 62% | 0.619 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64 | -32.7 | 175.1 | -74.5 | 177.4 | 178.1 | -179.2 | 1.3 | 113.3 | Q861 G863 L869 | Q861-R865 WeakPolarHBondContact O-CB 3.42Å; Q861-R865 WeakPolarHBondContact O-CG 3.29Å; Q861-R865 PolarHBondContact O-N 2.99Å; G863-R865 PolarHBondContact O-N 3.06Å; R865-L869 WeakPolarHBondContact O-CB 3.29Å; R865-L869 WeakPolarHBondContact O-CG 3.35Å; R865-L869 PolarHBondContact O-N 3.07Å |
| 866 | K | 95.7 | Very high | 91.1 | Very high | 135 Ų | 135 | 112.6 Ų | 112.6 | 59% | 0.587 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -66.5 | -45.5 | 173.6 | -177 | -170.3 | 173.6 | -163.4 | 0 | 110.2 | A862 G863 V864 L869 L870 | A862-K866 VanDerWaalsContact O-CB 3.26Å; A862-K866 WeakPolarHBondContact O-CB 3.29Å; A862-K866 PolarHBondContact O-N 3.02Å; G863-K866 WeakPolarHBondContact O-CB 3.22Å; G863-K866 PolarHBondContact O-N 3.22Å; G863-K866 VanDerWaalsContact O-N 3.14Å; V864-K866 VanDerWaalsContact C-N 3.31Å; V864-K866 PolarHBondContact O-N 3.3Å; K866-L869 PolarHBondContact O-N 3.39Å; K866-L870 HydrophobicContact CG-CD1 4.17Å; K866-L870 WeakPolarHBondContact O-CD1 3.42Å; K866-L870 PolarHBondContact O-N 3.42Å |
| 867 | K | 94.6 | Very high | 89.3 | Confident | 158 Ų | 158 | 111.6 Ų | 111.6 | 69% | 0.687 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -58.9 | -50.7 | 174.9 | -172.7 | 176.5 | 179.2 | 179.1 | 0 | 110.4 | G863 V864 L869 L870 E871 | G863-K867 PolarHBondContact O-N 2.98Å; V864-K867 PolarHBondContact O-N 3.14Å; K867-L869 VanDerWaalsContact C-N 3.31Å; K867-L869 PolarHBondContact O-N 3.02Å; K867-L870 PolarHBondContact O-N 3.1Å; K867-L870 VanDerWaalsContact O-N 3.16Å; K867-E871 VanDerWaalsContact O-CB 3.3Å; K867-E871 WeakPolarHBondContact O-CB 3.32Å; K867-E871 PolarHBondContact O-N 2.67Å |
| 868 | E | 93.4 | Very high | 87.4 | Confident | 74 Ų | 74 | 110.6 Ų | 110.6 | 35% | 0.346 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -57.1 | -40.2 | 176.8 | -168.3 | -162.5 | 170.3 | 0 | 0 | 112.7 | V864 R872 | V864-E868 WeakPolarHBondContact O-CB 3.31Å; V864-E868 PolarHBondContact O-N 2.66Å; E868-R872 WeakPolarHBondContact O-CB 3.14Å; E868-R872 VanDerWaalsContact O-CD 3.31Å; E868-R872 WeakPolarHBondContact O-CD 3.36Å; E868-R872 WeakPolarHBondContact O-CG 3.39Å; E868-R872 PolarHBondContact O-N 3.16Å; E868-R872 IonicContact OE1-CZ 3.26Å; E868-R872 VanDerWaalsContact OE1-CZ 3.26Å; E868-R872 IonicContact OE1-NE 3.13Å; E868-R872 PolarHBondContact OE1-NE 2.74Å; E868-R872 VanDerWaalsContact OE1-NE 3.13Å; E868-R872 IonicContact OE1-NH2 2.65Å; E868-R872 PolarHBondContact OE1-NH2 2.86Å |
| 869 | L | 93.5 | Very high | 85.2 | Confident | 102 Ų | 102 | 108.1 Ų | 108.1 | 53% | 0.534 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -72.3 | -35.8 | 177.3 | -74.8 | 170 | 0 | 0 | 0 | 113.1 | R865 K866 K867 L873 | R865-L869 WeakPolarHBondContact O-CB 3.29Å; R865-L869 WeakPolarHBondContact O-CG 3.35Å; R865-L869 PolarHBondContact O-N 3.07Å; K866-L869 PolarHBondContact O-N 3.39Å; K867-L869 VanDerWaalsContact C-N 3.31Å; K867-L869 PolarHBondContact O-N 3.02Å; L869-L873 WeakPolarHBondContact O-CD1 3.25Å; L869-L873 PolarHBondContact O-N 3.07Å; L869-L873 VanDerWaalsContact O-N 3.07Å |
| 870 | L | 92.5 | Very high | 82.9 | Confident | 93 Ų | 93 | 107.8 Ų | 107.8 | 49% | 0.487 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -68.2 | -42.3 | 172.2 | -97.8 | 65.1 | 0 | 0 | 0 | 111.3 | K866 K867 R872 L873 N874 | K866-L870 HydrophobicContact CG-CD1 4.17Å; K866-L870 WeakPolarHBondContact O-CD1 3.42Å; K866-L870 PolarHBondContact O-N 3.42Å; K867-L870 PolarHBondContact O-N 3.1Å; K867-L870 VanDerWaalsContact O-N 3.16Å; L870-R872 PolarHBondContact O-N 3.41Å; L870-L873 CarbonylContact O-C 3.42Å; L870-L873 WeakPolarHBondContact O-CA 3.46Å; L870-L873 VanDerWaalsContact O-CB 3.31Å; L870-L873 WeakPolarHBondContact O-CB 3.49Å; L870-L873 PolarHBondContact O-N 2.9Å; L870-N874 PolarHBondContact O-N 3.28Å |
| 871 | E | 90.6 | Very high | 80.4 | Confident | 126 Ų | 126 | 109.7 Ų | 109.7 | 59% | 0.589 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -59.9 | -45 | 175.1 | -175.1 | -178.4 | 170.5 | 0 | 0 | 111.3 | K867 L873 N874 A875 | K867-E871 VanDerWaalsContact O-CB 3.3Å; K867-E871 WeakPolarHBondContact O-CB 3.32Å; K867-E871 PolarHBondContact O-N 2.67Å; E871-L873 VanDerWaalsContact C-N 3.28Å; E871-L873 PolarHBondContact O-N 2.76Å; E871-N874 PolarHBondContact O-N 3.41Å; E871-A875 VanDerWaalsContact O-CB 3.3Å; E871-A875 WeakPolarHBondContact O-CB 3.16Å; E871-A875 PolarHBondContact O-N 3.39Å |
| 872 | R | 91 | Very high | 78 | Confident | 149 Ų | 149 | 112.3 Ų | 112.3 | 56% | 0.562 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -62.4 | -31 | 171.7 | -72.3 | 162.8 | 178.3 | -115.8 | 7.6 | 113.1 | E868 L870 Q876 | E868-R872 WeakPolarHBondContact O-CB 3.14Å; E868-R872 VanDerWaalsContact O-CD 3.31Å; E868-R872 WeakPolarHBondContact O-CD 3.36Å; E868-R872 WeakPolarHBondContact O-CG 3.39Å; E868-R872 PolarHBondContact O-N 3.16Å; E868-R872 IonicContact OE1-CZ 3.26Å; E868-R872 VanDerWaalsContact OE1-CZ 3.26Å; E868-R872 IonicContact OE1-NE 3.13Å; E868-R872 PolarHBondContact OE1-NE 2.74Å; E868-R872 VanDerWaalsContact OE1-NE 3.13Å; E868-R872 IonicContact OE1-NH2 2.65Å; E868-R872 PolarHBondContact OE1-NH2 2.86Å; L870-R872 PolarHBondContact O-N 3.41Å; R872-Q876 WeakPolarHBondContact O-CG 3.37Å; R872-Q876 PolarHBondContact O-N 2.84Å |
| 873 | L | 87.4 | Confident | 75.2 | Confident | 108 Ų | 108 | 113 Ų | 113 | 57% | 0.565 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -69.9 | -48.3 | 172.5 | -111.2 | 88.5 | 0 | 0 | 0 | 111.2 | L869 L870 E871 A875 Q876 T877 | L869-L873 WeakPolarHBondContact O-CD1 3.25Å; L869-L873 PolarHBondContact O-N 3.07Å; L869-L873 VanDerWaalsContact O-N 3.07Å; L870-L873 CarbonylContact O-C 3.42Å; L870-L873 WeakPolarHBondContact O-CA 3.46Å; L870-L873 VanDerWaalsContact O-CB 3.31Å; L870-L873 WeakPolarHBondContact O-CB 3.49Å; L870-L873 PolarHBondContact O-N 2.9Å; E871-L873 VanDerWaalsContact C-N 3.28Å; E871-L873 PolarHBondContact O-N 2.76Å; L873-A875 VanDerWaalsContact C-N 3.32Å; L873-A875 PolarHBondContact O-N 3.5Å; L873-Q876 CarbonylContact O-C 3.54Å; L873-Q876 WeakPolarHBondContact O-CA 3.4Å; L873-Q876 WeakPolarHBondContact O-CB 3.42Å; L873-Q876 PolarHBondContact O-N 3.26Å; L873-T877 PolarHBondContact O-N 2.79Å |
| 874 | N | 84 | Confident | 72.3 | Confident | 106 Ų | 106 | 116.3 Ų | 116.3 | 57% | 0.567 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -65.2 | -36.1 | 179.7 | -71 | -0.7 | 0 | 0 | 0 | 111.7 | L870 E871 Q876 T877 N878 | L870-N874 PolarHBondContact O-N 3.28Å; E871-N874 PolarHBondContact O-N 3.41Å; N874-Q876 VanDerWaalsContact C-N 3.25Å; N874-Q876 PolarHBondContact O-N 2.94Å; N874-T877 WeakPolarHBondContact CA-OG1 3.47Å; N874-T877 PolarHBondContact O-N 3.01Å; N874-T877 PolarHBondContact O-OG1 3.36Å; N874-N878 PolarHBondContact O-N 3Å |
| 875 | A | 76.6 | Confident | 69.3 | Low | 63 Ų | 63 | 118.7 Ų | 118.7 | 52% | 0.521 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -64.6 | -27 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E871 L873 T879 | E871-A875 VanDerWaalsContact O-CB 3.3Å; E871-A875 WeakPolarHBondContact O-CB 3.16Å; E871-A875 PolarHBondContact O-N 3.39Å; L873-A875 VanDerWaalsContact C-N 3.32Å; L873-A875 PolarHBondContact O-N 3.5Å; A875-T879 WeakPolarHBondContact O-CG2 3.35Å |
| 876 | Q | 69.4 | Low | 66.9 | Low | 143 Ų | 143 | 116.9 Ų | 116.9 | 67% | 0.668 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -80.7 | -43.2 | 172.5 | -79.6 | -170.3 | -6.5 | 0 | 0 | 112.9 | R872 L873 N874 N878 T879 | R872-Q876 WeakPolarHBondContact O-CG 3.37Å; R872-Q876 PolarHBondContact O-N 2.84Å; L873-Q876 CarbonylContact O-C 3.54Å; L873-Q876 WeakPolarHBondContact O-CA 3.4Å; L873-Q876 WeakPolarHBondContact O-CB 3.42Å; L873-Q876 PolarHBondContact O-N 3.26Å; N874-Q876 VanDerWaalsContact C-N 3.25Å; N874-Q876 PolarHBondContact O-N 2.94Å; Q876-N878 VanDerWaalsContact C-N 3.28Å; Q876-N878 PolarHBondContact O-N 3.15Å; Q876-T879 PolarHBondContact O-N 2.97Å; Q876-T879 PolarHBondContact O-OG1 3.12Å |
| 877 | T | 57.8 | Low | 63.6 | Low | 95 Ų | 95 | 117.5 Ų | 117.5 | 58% | 0.583 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -60.6 | -38.8 | -179.7 | 53.5 | 0 | 0 | 0 | 0 | 111.8 | L873 N874 T879 Q880 | L873-T877 PolarHBondContact O-N 2.79Å; N874-T877 WeakPolarHBondContact CA-OG1 3.47Å; N874-T877 PolarHBondContact O-N 3.01Å; N874-T877 PolarHBondContact O-OG1 3.36Å; T877-T879 PolarHBondContact O-N 3.06Å; T877-Q880 PolarHBondContact O-N 2.77Å |
| 878 | N | 56.8 | Low | 60.6 | Low | 146 Ų | 146 | 118.7 Ų | 118.7 | 78% | 0.781 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | -4.7 | 178.1 | -145.3 | -1.7 | 0 | 0 | 0 | 114.2 | N874 Q876 | N874-N878 PolarHBondContact O-N 3Å; Q876-N878 VanDerWaalsContact C-N 3.28Å; Q876-N878 PolarHBondContact O-N 3.15Å |
| 879 | T | 51.1 | Low | 57.4 | Low | 88 Ų | 88 | 121.2 Ų | 121.2 | 54% | 0.54 | 66% | 0.659 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.6 | 14 | 175.6 | 68.1 | 0 | 0 | 0 | 0 | 114.3 | A875 Q876 T877 R1016 | A875-T879 WeakPolarHBondContact O-CG2 3.35Å; Q876-T879 PolarHBondContact O-N 2.97Å; Q876-T879 PolarHBondContact O-OG1 3.12Å; T877-T879 PolarHBondContact O-N 3.06Å; T879-R1016 PolarHBondContact O-NH2 2.95Å |
| 880 | Q | 47.6 | Very low | 54.2 | Low | 105 Ų | 105 | 124.6 Ų | 124.6 | 49% | 0.491 | 67% | 0.672 | S | S | . | * | | | trans | -121.8 | 11 | -172.9 | -139.9 | -175.3 | -106.5 | 0 | 0 | 117.5 | T877 | T877-Q880 PolarHBondContact O-N 2.77Š|
| 881 | N | 42.7 | Very low | 52 | Low | 158 Ų | 158 | 124.9 Ų | 124.9 | 85% | 0.845 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -107.7 | 45.9 | 173.3 | -82.4 | -18.8 | 0 | 0 | 0 | 113.6 | | |
| 882 | Q | 42.3 | Very low | 48.9 | Very low | 156 Ų | 156 | 124.5 Ų | 124.5 | 73% | 0.729 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -142 | 151.2 | 162.2 | -73.4 | -63.7 | -14.6 | 0 | 0 | 109.5 | | |
| 883 | D | 32.7 | Very low | 46 | Very low | 73 Ų | 73 | 125.1 Ų | 125.1 | 39% | 0.39 | 70% | 0.704 | S | S | . | * | | | trans | 68.4 | 80.2 | 177.5 | -60.3 | -32 | 0 | 0 | 0 | 119 | Q1014 Q1015 | D883-Q1014 PolarHBondContact OD1-NE2 3.24Å; D883-Q1014 VanDerWaalsContact OD1-NE2 3.1Å; D883-Q1015 PolarHBondContact O-NE2 3.44Å |
| 884 | S | 34.2 | Very low | 43.8 | Very low | 108 Ų | 108 | 125.5 Ų | 125.5 | 76% | 0.755 | 71% | 0.713 | S | S | * | * | | | | -168.7 | 109 | 127 | 60.1 | 0 | 0 | 0 | 0 | 115.4 | | |
| 885 | T | 29.8 | Very low | 41.1 | Very low | 143 Ų | 143 | 127.3 Ų | 127.3 | 88% | 0.877 | 72% | 0.723 | S | S | * | * | | | trans | -131.7 | 144.5 | 143.8 | 48 | 0 | 0 | 0 | 0 | 108.7 | | |
| 886 | P | 40.6 | Very low | 39 | Very low | 125 Ų | 125 | 130.7 Ų | 130.7 | 81% | 0.812 | 73% | 0.728 | S | S | * | * | | | trans | -103.6 | 144.3 | -166 | 37.2 | -32.7 | 0 | 0 | 0 | 114.1 | | |
| 887 | T | 26.3 | Very low | 37.1 | Very low | 148 Ų | 148 | 130.3 Ų | 130.3 | 91% | 0.908 | 73% | 0.726 | S | S | * | * | | | trans | -135 | 141.8 | 165.1 | -53.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 888 | Q | 31.6 | Very low | 35.7 | Very low | 184 Ų | 184 | 133.3 Ų | 133.3 | 86% | 0.86 | 73% | 0.731 | S | S | * | * | | | trans | -84.8 | 151.8 | -174.7 | -178.6 | -177.5 | 97.2 | 0 | 0 | 112.3 | | |
| 889 | T | 26.4 | Very low | 34.3 | Very low | 126 Ų | 126 | 134.2 Ų | 134.2 | 77% | 0.773 | 73% | 0.731 | S | S | * | * | | | trans | -103.1 | 143.8 | 162.5 | 0.1 | 0 | 0 | 0 | 0 | 107.7 | | |
| 890 | Q | 26.6 | Very low | 33.4 | Very low | 173 Ų | 173 | 138.7 Ų | 138.7 | 81% | 0.808 | 75% | 0.745 | S | S | * | * | | | cis | -171.4 | -173.8 | 48.4 | -125.8 | -169 | 19.2 | 0 | 0 | 107.8 | | |
| 891 | P | 46.8 | Very low | 33.5 | Very low | 99 Ų | 99 | 139 Ų | 139 | 64% | 0.643 | 76% | 0.756 | S | S | * | * | | | cis | -134.6 | -166.3 | -15.3 | 39.4 | -20.6 | 0 | 0 | 0 | 114.2 | | |
| 892 | S | 25.3 | Very low | 32.9 | Very low | 118 Ų | 118 | 137.9 Ų | 137.9 | 83% | 0.825 | 76% | 0.755 | S | S | * | * | | | trans | 104 | 146.6 | 154 | 79.3 | 0 | 0 | 0 | 0 | 119.8 | | |
| 893 | L | 29 | Very low | 33.2 | Very low | 163 Ų | 163 | 135.8 Ų | 135.8 | 85% | 0.853 | 75% | 0.754 | S | S | * | * | | | trans | -114.9 | 172.8 | -180 | -71.6 | 156.4 | 0 | 0 | 0 | 107.2 | | |
| 894 | P | 41.6 | Very low | 33 | Very low | 115 Ų | 115 | 140.4 Ų | 140.4 | 75% | 0.747 | 77% | 0.774 | S | S | * | * | | | cis | -145.1 | 167.9 | 14.4 | 46.3 | -28.9 | 0 | 0 | 0 | 118 | | |
| 895 | N | 27.2 | Very low | 33.2 | Very low | 144 Ų | 144 | 143 Ų | 143 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | | | trans | 76.7 | 157.2 | 139.6 | -145.5 | 7.5 | 0 | 0 | 0 | 122.9 | | |
| 896 | Q | 32.3 | Very low | 33.3 | Very low | 135 Ų | 135 | 141.9 Ų | 141.9 | 63% | 0.631 | 77% | 0.767 | S | S | * | * | | | trans | 85.2 | 113.2 | 153.4 | -65.8 | -120.2 | 105.7 | 0 | 0 | 122.9 | | |
| 897 | Q | 30 | Very low | 33.2 | Very low | 134 Ų | 134 | 143.2 Ų | 143.2 | 63% | 0.626 | 77% | 0.766 | S | S | * | * | | | | 81.3 | 111.5 | 125.7 | -70.2 | -166.8 | 16.3 | 0 | 0 | 123.1 | | |
| 898 | K | 29.6 | Very low | 34.2 | Very low | 158 Ų | 158 | 141.7 Ų | 141.7 | 69% | 0.687 | 76% | 0.758 | S | S | * | * | | | | 66.4 | 128.6 | 119.4 | -75.6 | -177.9 | 168.4 | -175.2 | 0 | 122.2 | | |
| 899 | Q | 27.3 | Very low | 34.6 | Very low | 166 Ų | 166 | 140.5 Ų | 140.5 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | | | trans | 87 | 140.8 | 133.9 | -72.4 | 170 | -43.8 | 0 | 0 | 119.9 | | |
| 900 | H | 31.9 | Very low | 35.3 | Very low | 182 Ų | 182 | 143.6 Ų | 143.6 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | | | trans | -72 | 174.5 | 174 | -49.4 | -90.2 | 0 | 0 | 0 | 111 | | |
| 901 | P | 49.3 | Very low | 36.1 | Very low | 112 Ų | 112 | 144.5 Ų | 144.5 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | | | cis | -142.7 | 172.6 | 15.4 | 41 | -20.7 | 0 | 0 | 0 | 118.9 | | |
| 902 | V | 31.3 | Very low | 36 | Very low | 134 Ų | 134 | 147.8 Ų | 147.8 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | | | trans | 34.9 | 119 | 141.2 | 178.6 | 0 | 0 | 0 | 0 | 117.6 | | |
| 903 | P | 48.6 | Very low | 36.9 | Very low | 111 Ų | 111 | 150 Ų | 150 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | | | | -138.3 | -158.1 | 63.8 | 39.5 | -19.3 | 0 | 0 | 0 | 112.8 | | |
| 904 | Q | 28.3 | Very low | 37.8 | Very low | 170 Ų | 170 | 150.2 Ų | 150.2 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | | | cis | -148.7 | -103.7 | 7.1 | -162.3 | 161.2 | -73.2 | 0 | 0 | 114.9 | | |
| 905 | Q | 37.3 | Very low | 38 | Very low | 163 Ų | 163 | 153 Ų | 153 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | | | trans | -153.8 | 167.3 | -172.9 | -54.6 | -179.8 | 33.6 | 0 | 0 | 107.5 | | |
| 906 | V | 31.3 | Very low | 39 | Very low | 119 Ų | 119 | 153.5 Ų | 153.5 | 72% | 0.721 | 77% | 0.768 | S | S | * | * | | | cis | -145.3 | 162.4 | 8.4 | -136.5 | 0 | 0 | 0 | 0 | 111.3 | | |
| 907 | I | 40 | Very low | 39.9 | Very low | 154 Ų | 154 | 154 Ų | 154 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | | | trans | -13.1 | 150.9 | 151.8 | -71.1 | 165 | 0 | 0 | 0 | 117.8 | | |
| 908 | P | 45.9 | Very low | 40.7 | Very low | 115 Ų | 115 | 155 Ų | 155 | 75% | 0.747 | 78% | 0.775 | S | S | * | * | | | cis | -126.3 | 159.6 | 19.7 | 19.5 | 4.4 | 0 | 0 | 0 | 118.5 | | |
| 909 | L | 40.2 | Very low | 41.6 | Very low | 159 Ų | 159 | 154.9 Ų | 154.9 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | | | trans | -112.3 | 120.2 | 159.2 | -98.9 | 143.5 | 0 | 0 | 0 | 108.2 | | |
| 910 | Q | 40.8 | Very low | 42.5 | Very low | 192 Ų | 192 | 154 Ų | 154 | 90% | 0.897 | 77% | 0.773 | S | S | * | * | | | trans | -153.9 | 32.1 | 175.3 | -145.3 | -176.9 | 45.4 | 0 | 0 | 117 | | |
| 911 | Q | 43.6 | Very low | 43.3 | Very low | 192 Ų | 192 | 152.7 Ų | 152.7 | 90% | 0.897 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -131.2 | -13 | 170.4 | -79.5 | -164.8 | 26.5 | 0 | 0 | 116.4 | Q913 | Q911-Q913 PolarHBondContact O-N 3.11Š|
| 912 | Q | 44.6 | Very low | 43 | Very low | 167 Ų | 167 | 152.3 Ų | 152.3 | 78% | 0.78 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -86.7 | -5.4 | -172.3 | -162.9 | 158.9 | 73.5 | 0 | 0 | 115.1 | | |
| 913 | Q | 45.2 | Very low | 43.7 | Very low | 166 Ų | 166 | 151.9 Ų | 151.9 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -97.9 | -21.2 | -168.6 | -161.6 | 161.1 | 63.6 | 0 | 0 | 115.5 | Q911 | Q911-Q913 PolarHBondContact O-N 3.11Š|
| 914 | Q | 48.2 | Very low | 43.7 | Very low | 166 Ų | 166 | 152.5 Ų | 152.5 | 78% | 0.776 | 75% | 0.745 | S | S | * | * | H | α-helix | trans | -74.3 | -28.4 | 179.4 | -77 | -177.7 | -13.7 | 0 | 0 | 113.5 | Q916 Q917 | Q914-Q916 VanDerWaalsContact C-N 3.29Å; Q914-Q916 PolarHBondContact O-N 2.92Å; Q914-Q917 PolarHBondContact O-N 2.95Å |
| 915 | Q | 46.2 | Very low | 44.6 | Very low | 174 Ų | 174 | 150.7 Ų | 150.7 | 81% | 0.813 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -77.8 | -9.1 | -170.5 | -151.9 | 165.6 | 79.5 | 0 | 0 | 114.4 | | |
| 916 | Q | 47.7 | Very low | 45 | Very low | 155 Ų | 155 | 149.6 Ų | 149.6 | 72% | 0.724 | 74% | 0.735 | S | S | * | * | H | α-helix | trans | -89.1 | -30.9 | 173.4 | -75.4 | -177.2 | -17.2 | 0 | 0 | 113.4 | Q914 Q918 Q919 E920 | Q914-Q916 VanDerWaalsContact C-N 3.29Å; Q914-Q916 PolarHBondContact O-N 2.92Å; Q916-Q918 PolarHBondContact O-N 3.31Å; Q916-Q919 PolarHBondContact O-N 3.44Å; Q916-E920 PolarHBondContact O-N 2.82Å |
| 917 | Q | 49.8 | Very low | 45.6 | Very low | 144 Ų | 144 | 150.6 Ų | 150.6 | 67% | 0.673 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -67.7 | -35.3 | -175.5 | -73.1 | -174.3 | -12.4 | 0 | 0 | 113.6 | Q914 Q919 E920 Q921 | Q914-Q917 PolarHBondContact O-N 2.95Å; Q917-Q919 VanDerWaalsContact C-N 3.29Å; Q917-Q919 PolarHBondContact O-N 3.48Å; Q917-E920 PolarHBondContact O-N 3.34Å; Q917-Q921 PolarHBondContact O-N 3.12Å |
| 918 | Q | 47 | Very low | 45.6 | Very low | 155 Ų | 155 | 146.6 Ų | 146.6 | 72% | 0.724 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -66.4 | -29.5 | 177.6 | -70 | -174.9 | -2.9 | 0 | 0 | 113.1 | Q916 | Q916-Q918 PolarHBondContact O-N 3.31Å |
| 919 | Q | 48.6 | Very low | 45.3 | Very low | 156 Ų | 156 | 148.8 Ų | 148.8 | 73% | 0.729 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -77.6 | -28.5 | 179 | -167.7 | 159.2 | 88 | 0 | 0 | 112.2 | Q916 Q917 | Q916-Q919 PolarHBondContact O-N 3.44Å; Q917-Q919 VanDerWaalsContact C-N 3.29Å; Q917-Q919 PolarHBondContact O-N 3.48Å |
| 920 | E | 47.3 | Very low | 45.5 | Very low | 149 Ų | 149 | 149.5 Ų | 149.5 | 70% | 0.696 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -79.2 | -37.7 | 179 | -157 | 150.8 | 91.7 | 0 | 0 | 112.4 | Q916 Q917 N922 L923 Q924 | Q916-E920 PolarHBondContact O-N 2.82Å; Q917-E920 PolarHBondContact O-N 3.34Å; E920-N922 VanDerWaalsContact C-N 3.33Å; E920-N922 PolarHBondContact O-N 2.83Å; E920-L923 PolarHBondContact O-N 2.81Å; E920-Q924 PolarHBondContact O-N 2.74Å; E920-Q924 VanDerWaalsContact O-N 3.1Å |
| 921 | Q | 48.1 | Very low | 45.5 | Very low | 153 Ų | 153 | 148.6 Ų | 148.6 | 72% | 0.715 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -57.9 | -41.9 | 172.2 | -97.9 | -170.6 | -14.2 | 0 | 0 | 112.8 | Q917 L923 Q924 Q925 | Q917-Q921 PolarHBondContact O-N 3.12Å; Q921-L923 PolarHBondContact O-N 2.86Å; Q921-Q924 PolarHBondContact O-N 2.76Å; Q921-Q925 PolarHBondContact O-N 3.2Å |
| 922 | N | 43.3 | Very low | 45.1 | Very low | 104 Ų | 104 | 148.7 Ų | 148.7 | 56% | 0.556 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -66.9 | -36.2 | -177.6 | -164.1 | -101.4 | 0 | 0 | 0 | 112.4 | E920 | E920-N922 VanDerWaalsContact C-N 3.33Å; E920-N922 PolarHBondContact O-N 2.83Å |
| 923 | L | 46.4 | Very low | 44.4 | Very low | 126 Ų | 126 | 151.5 Ų | 151.5 | 66% | 0.66 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -70.6 | -35.5 | 173.9 | -110.1 | 68 | 0 | 0 | 0 | 112.8 | E920 Q921 Q925 | E920-L923 PolarHBondContact O-N 2.81Å; Q921-L923 PolarHBondContact O-N 2.86Å; L923-Q925 PolarHBondContact O-N 2.9Å |
| 924 | Q | 48.6 | Very low | 44 | Very low | 123 Ų | 123 | 149.3 Ų | 149.3 | 58% | 0.575 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -66.3 | -38.4 | -178.7 | -160.4 | 69.3 | 87 | 0 | 0 | 112.1 | E920 Q921 Q927 A928 | E920-Q924 PolarHBondContact O-N 2.74Å; E920-Q924 VanDerWaalsContact O-N 3.1Å; Q921-Q924 PolarHBondContact O-N 2.76Å; Q924-Q927 PolarHBondContact O-N 3.46Å; Q924-A928 PolarHBondContact O-N 3.4Å |
| 925 | Q | 47.5 | Very low | 43.1 | Very low | 133 Ų | 133 | 147.1 Ų | 147.1 | 62% | 0.621 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -71.5 | -32.8 | -178.1 | -161 | 173.4 | 75.9 | 0 | 0 | 113 | Q921 L923 Q927 H929 | Q921-Q925 PolarHBondContact O-N 3.2Å; L923-Q925 PolarHBondContact O-N 2.9Å; Q925-Q927 VanDerWaalsContact C-N 3.26Å; Q925-Q927 PolarHBondContact O-N 3.44Å; Q925-H929 PolarHBondContact O-ND1 3.3Å |
| 926 | L | 44.6 | Very low | 42.5 | Very low | 139 Ų | 139 | 144.8 Ų | 144.8 | 73% | 0.728 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -67.3 | -23.4 | 172.7 | -109.1 | 72.4 | 0 | 0 | 0 | 113.5 | | |
| 927 | Q | 44.2 | Very low | 41.6 | Very low | 141 Ų | 141 | 146 Ų | 146 | 66% | 0.659 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -89 | -21 | -178.8 | -165.8 | 167.6 | 86.8 | 0 | 0 | 113.4 | Q924 Q925 | Q924-Q927 PolarHBondContact O-N 3.46Å; Q925-Q927 VanDerWaalsContact C-N 3.26Å; Q925-Q927 PolarHBondContact O-N 3.44Å |
| 928 | A | 41 | Very low | 40.6 | Very low | 69 Ų | 69 | 150.5 Ų | 150.5 | 57% | 0.57 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -68 | -33.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q924 Q930 | Q924-A928 PolarHBondContact O-N 3.4Å; A928-Q930 PolarHBondContact O-N 2.97Å; A928-Q930 VanDerWaalsContact O-N 3.11Å |
| 929 | H | 38.2 | Very low | 40.4 | Very low | 162 Ų | 162 | 147.7 Ų | 147.7 | 75% | 0.75 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | 3.7 | -169.8 | -71.1 | 90.2 | 0 | 0 | 0 | 115.7 | Q925 | Q925-H929 PolarHBondContact O-ND1 3.3Š|
| 930 | Q | 45.1 | Very low | 39.2 | Very low | 173 Ų | 173 | 146.8 Ų | 146.8 | 81% | 0.808 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.5 | 4.2 | -171.5 | -116.7 | -117.6 | 107.7 | 0 | 0 | 115.7 | A928 | A928-Q930 PolarHBondContact O-N 2.97Å; A928-Q930 VanDerWaalsContact O-N 3.11Å |
| 931 | Q | 41 | Very low | 38.3 | Very low | 174 Ų | 174 | 147.5 Ų | 147.5 | 81% | 0.813 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -142.5 | 35.9 | -169.9 | -75.9 | -163.3 | 93.7 | 0 | 0 | 117.4 | | |
| 932 | Q | 35 | Very low | 37.2 | Very low | 193 Ų | 193 | 144.7 Ų | 144.7 | 90% | 0.902 | 73% | 0.726 | S | S | * | * | | | trans | -130.8 | 110.9 | 164.4 | -69.6 | -156.6 | 74.1 | 0 | 0 | 113.9 | | |
| 933 | R | 30.3 | Very low | 36.3 | Very low | 227 Ų | 227 | 145.5 Ų | 145.5 | 86% | 0.857 | 73% | 0.734 | S | S | * | * | | | trans | -126 | 108.8 | 163.6 | -176.9 | -147.6 | -60.1 | -116.7 | 0.2 | 107.8 | | |
| 934 | P | 35.1 | Very low | 35.4 | Very low | 120 Ų | 120 | 146 Ų | 146 | 78% | 0.779 | 74% | 0.738 | S | S | * | * | | | trans | -70.1 | 137.3 | -178.3 | -21.3 | 34 | 0 | 0 | 0 | 113.3 | | |
| 935 | V | 29.7 | Very low | 34.4 | Very low | 120 Ų | 120 | 147.9 Ų | 147.9 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | | | trans | -135.1 | 125.9 | 159.4 | -179.8 | 0 | 0 | 0 | 0 | 106.5 | | |
| 936 | P | 34.3 | Very low | 33.4 | Very low | 125 Ų | 125 | 147.8 Ų | 147.8 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | | | trans | -77.9 | 145.2 | -160.1 | 28.7 | -36.2 | 0 | 0 | 0 | 114.7 | | |
| 937 | Q | 28.9 | Very low | 32.5 | Very low | 179 Ų | 179 | 148.4 Ų | 148.4 | 84% | 0.836 | 76% | 0.758 | S | S | * | * | | | trans | -131.3 | 120.7 | 168.7 | -72.3 | -174.9 | 80 | 0 | 0 | 112 | | |
| 938 | R | 29.2 | Very low | 31.7 | Very low | 240 Ų | 240 | 147.7 Ų | 147.7 | 91% | 0.906 | 76% | 0.764 | S | S | * | * | | | trans | -85.1 | 168.7 | 153.2 | -120.2 | -167.2 | -93.6 | -177.6 | -11.4 | 107.9 | | |
| 939 | P | 42.5 | Very low | 30.9 | Very low | 95 Ų | 95 | 151.3 Ų | 151.3 | 62% | 0.617 | 77% | 0.773 | S | S | * | * | | | cis | -129.6 | -171.9 | 7.9 | 30.8 | -4.8 | 0 | 0 | 0 | 112.8 | | |
| 940 | Q | 23.6 | Very low | 31.4 | Very low | 138 Ų | 138 | 148.4 Ų | 148.4 | 65% | 0.645 | 77% | 0.769 | S | S | * | * | | | | -164.5 | 141.8 | 60.6 | -74.2 | -70.8 | 31.8 | 0 | 0 | 110.5 | | |
| 941 | Q | 28.6 | Very low | 30.6 | Very low | 163 Ų | 163 | 146.1 Ų | 146.1 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | | | | 49 | 132.4 | 104.1 | -56.1 | -177.5 | -23.5 | 0 | 0 | 115.5 | | |
| 942 | S | 25.1 | Very low | 30.1 | Very low | 95 Ų | 95 | 144.9 Ų | 144.9 | 66% | 0.664 | 76% | 0.757 | S | S | * | * | | | | 177.3 | 164 | 64.4 | 48.2 | 0 | 0 | 0 | 0 | 113.8 | | |
| 943 | V | 24.4 | Very low | 29.7 | Very low | 120 Ų | 120 | 141.7 Ų | 141.7 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | | | trans | 57.6 | 155.3 | 155.2 | -64.6 | 0 | 0 | 0 | 0 | 120.6 | | |
| 944 | N | 26.1 | Very low | 29.5 | Very low | 137 Ų | 137 | 135.8 Ų | 135.8 | 73% | 0.733 | 74% | 0.739 | S | S | * | * | | | cis | -155.9 | 177.6 | -14.7 | -113.1 | -10.9 | 0 | 0 | 0 | 112.5 | | |
| 945 | H | 28.6 | Very low | 29.1 | Very low | 163 Ų | 163 | 134.8 Ų | 134.8 | 76% | 0.755 | 74% | 0.741 | S | S | * | * | | | trans | -86.7 | 162.7 | -176.5 | -40.1 | -93.6 | 0 | 0 | 0 | 114.9 | | |
| 946 | T | 26 | Very low | 29.3 | Very low | 131 Ų | 131 | 135.7 Ų | 135.7 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | | | | 171.8 | 156.2 | 124.6 | 30 | 0 | 0 | 0 | 0 | 111.2 | | |
| 947 | L | 26.6 | Very low | 30.3 | Very low | 151 Ų | 151 | 135 Ų | 135 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | | | cis | -93.8 | -106.1 | 4.6 | -68.7 | 74.9 | 0 | 0 | 0 | 112.2 | | |
| 948 | T | 27.3 | Very low | 31.3 | Very low | 127 Ų | 127 | 132 Ų | 132 | 78% | 0.779 | 74% | 0.738 | S | S | * | * | | | cis | -154.8 | 159.8 | 1.2 | -49.7 | 0 | 0 | 0 | 0 | 108.8 | | |
| 949 | N | 24 | Very low | 31 | Very low | 144 Ų | 144 | 126 Ų | 126 | 77% | 0.77 | 73% | 0.733 | S | S | * | * | | | trans | -151.9 | 173.9 | -173.8 | -138.2 | 28.4 | 0 | 0 | 0 | 110 | | |
| 950 | P | 48.2 | Very low | 30.3 | Very low | 102 Ų | 102 | 127.6 Ų | 127.6 | 66% | 0.662 | 74% | 0.741 | S | S | * | * | | | cis | -127.5 | -157.5 | 3.2 | 44 | -24.5 | 0 | 0 | 0 | 111.9 | | |
| 951 | N | 28.1 | Very low | 31.2 | Very low | 125 Ų | 125 | 126.5 Ų | 126.5 | 67% | 0.668 | 75% | 0.745 | S | S | * | * | | | cis | -166.5 | 158.4 | -0.4 | -134.6 | 18 | 0 | 0 | 0 | 105.9 | | |
| 952 | Q | 31 | Very low | 31.2 | Very low | 148 Ų | 148 | 122.9 Ų | 122.9 | 69% | 0.692 | 74% | 0.743 | S | S | * | * | | | cis | -137.7 | -152.5 | -2.4 | -67.4 | 167.4 | -139.9 | 0 | 0 | 106.5 | | |
| 953 | D | 26.7 | Very low | 31.4 | Very low | 125 Ų | 125 | 126.5 Ų | 126.5 | 67% | 0.668 | 75% | 0.754 | S | S | * | * | | | cis | -153.4 | -136.1 | -3.9 | -152.8 | -80.2 | 0 | 0 | 0 | 111.1 | | |
| 954 | S | 26.4 | Very low | 31.6 | Very low | 103 Ų | 103 | 128.1 Ų | 128.1 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | | | trans | -126.8 | 145.8 | -161.3 | -45.7 | 0 | 0 | 0 | 0 | 115 | | |
| 955 | A | 25.1 | Very low | 31.9 | Very low | 100 Ų | 100 | 127.3 Ų | 127.3 | 83% | 0.826 | 76% | 0.76 | S | S | * | * | | | | -177.8 | 167.4 | 125.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 956 | V | 34.5 | Very low | 32 | Very low | 139 Ų | 139 | 123.7 Ų | 123.7 | 84% | 0.842 | 76% | 0.758 | S | S | * | * | | | trans | -128.1 | -154.9 | -161.2 | -150.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 957 | P | 56.1 | Low | 32.5 | Very low | 111 Ų | 111 | 123 Ų | 123 | 72% | 0.721 | 76% | 0.756 | S | S | * | * | | | | -110.8 | -150.4 | -126.5 | 46.6 | -29.3 | 0 | 0 | 0 | 112.9 | | |
| 958 | P | 49.4 | Very low | 32.5 | Very low | 116 Ų | 116 | 127.1 Ų | 127.1 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | | | cis | -139.2 | 173.4 | -8.2 | 41.8 | -23.9 | 0 | 0 | 0 | 117.5 | | |
| 959 | S | 23.6 | Very low | 33.6 | Very low | 113 Ų | 113 | 125.8 Ų | 125.8 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | | | | 164.8 | 168 | 110.8 | -156.7 | 0 | 0 | 0 | 0 | 114 | | |
| 960 | V | 26.9 | Very low | 33.9 | Very low | 129 Ų | 129 | 125.9 Ų | 125.9 | 78% | 0.782 | 76% | 0.755 | S | S | * | * | | | trans | -145.6 | 165.5 | -174 | -110.7 | 0 | 0 | 0 | 0 | 108.6 | | |
| 961 | P | 42.1 | Very low | 33 | Very low | 114 Ų | 114 | 127.3 Ų | 127.3 | 74% | 0.74 | 76% | 0.761 | S | S | * | * | | | cis | -153.9 | 167.1 | 45.3 | 43.4 | -22.4 | 0 | 0 | 0 | 120.4 | | |
| 962 | A | 28.6 | Very low | 33.1 | Very low | 87 Ų | 87 | 130.3 Ų | 130.3 | 72% | 0.719 | 77% | 0.768 | S | S | * | * | | | trans | 57.3 | 154.6 | 142.2 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 963 | L | 29.6 | Very low | 33.3 | Very low | 171 Ų | 171 | 128.7 Ų | 128.7 | 90% | 0.895 | 77% | 0.774 | S | S | * | * | | | cis | -124.3 | 176.1 | 13.4 | -99.6 | 94.8 | 0 | 0 | 0 | 114.7 | | |
| 964 | I | 28.2 | Very low | 33.7 | Very low | 155 Ų | 155 | 132.9 Ų | 132.9 | 80% | 0.795 | 78% | 0.78 | S | S | * | * | | | trans | -121 | 158 | -173 | -91.1 | 166.9 | 0 | 0 | 0 | 107.2 | | |
| 965 | P | 34 | Very low | 34.1 | Very low | 120 Ų | 120 | 134.9 Ų | 134.9 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | | | cis | -140.2 | 174.4 | 34.3 | 29.4 | -4.4 | 0 | 0 | 0 | 119.3 | | |
| 966 | A | 29.6 | Very low | 34.6 | Very low | 86 Ų | 86 | 137.7 Ų | 137.7 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | | | trans | -94.6 | -153.9 | 159.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 967 | P | 35.8 | Very low | 34.6 | Very low | 118 Ų | 118 | 139 Ų | 139 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | | | cis | -111.8 | -179.8 | 10.5 | 39.8 | -23.8 | 0 | 0 | 0 | 113 | | |
| 968 | R | 27.8 | Very low | 33.3 | Very low | 236 Ų | 236 | 140.6 Ų | 140.6 | 89% | 0.891 | 78% | 0.784 | S | S | * | * | | | cis | 78.7 | 148.1 | 29.4 | -81.7 | -165.1 | 176.2 | -154.1 | -0.1 | 115.9 | | |
| 969 | P | 49 | Very low | 32.3 | Very low | 100 Ų | 100 | 145.1 Ų | 145.1 | 65% | 0.649 | 79% | 0.792 | S | S | * | * | | | | -134.7 | -175.3 | -126.7 | 44.4 | -29.6 | 0 | 0 | 0 | 117.7 | | |
| 970 | N | 31.2 | Very low | 32.4 | Very low | 146 Ų | 146 | 143.1 Ų | 143.1 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | | | trans | 75.8 | 139.5 | 163.2 | -58.8 | -31.9 | 0 | 0 | 0 | 118.7 | | |
| 971 | V | 28.3 | Very low | 32.8 | Very low | 131 Ų | 131 | 142.5 Ų | 142.5 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | | | | 176.1 | 135.9 | 104.6 | 156.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 972 | K | 30.8 | Very low | 32.6 | Very low | 188 Ų | 188 | 142.7 Ų | 142.7 | 82% | 0.817 | 79% | 0.791 | S | S | * | * | | | trans | -31.8 | 150.3 | 167.7 | -45.9 | 162.9 | -174.7 | 179.6 | 0 | 117.7 | | |
| 973 | S | 34.9 | Very low | 32.6 | Very low | 115 Ų | 115 | 145.7 Ų | 145.7 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | | | | 172 | 130.2 | 111.9 | -79.2 | 0 | 0 | 0 | 0 | 118.5 | | |
| 974 | R | 35.4 | Very low | 32.4 | Very low | 213 Ų | 213 | 145.6 Ų | 145.6 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | | 60.5 | 92.8 | 125.2 | -158.9 | 176.1 | -173.6 | -151.7 | 1.2 | 123 | | |
| 975 | L | 35.9 | Very low | 32.5 | Very low | 144 Ų | 144 | 143.8 Ų | 143.8 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | | | | 61.5 | 134.1 | 125.1 | -74.3 | 169.6 | 0 | 0 | 0 | 124.4 | | |
| 976 | Q | 33.8 | Very low | 32.2 | Very low | 159 Ų | 159 | 144.6 Ų | 144.6 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | | | trans | 107.4 | 118.5 | 136.8 | -85 | 175.9 | 96 | 0 | 0 | 122.3 | | |
| 977 | M | 35.5 | Very low | 32.2 | Very low | 166 Ų | 166 | 148.8 Ų | 148.8 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | trans | 14.2 | 110.3 | 154.8 | -58.1 | -168.1 | -64.1 | 0 | 0 | 120.9 | | |
| 978 | V | 28.2 | Very low | 31.7 | Very low | 146 Ų | 146 | 149.4 Ų | 149.4 | 89% | 0.885 | 78% | 0.777 | S | S | * | * | | | trans | -137.3 | 146.4 | 140.7 | 169.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 979 | K | 28.7 | Very low | 32.3 | Very low | 211 Ų | 211 | 144.3 Ų | 144.3 | 92% | 0.917 | 77% | 0.774 | S | S | * | * | | | trans | -90.9 | 110.1 | 173.6 | 171.3 | -170 | 172.7 | -175.9 | 0 | 110 | | |
| 980 | G | 25.9 | Very low | 31.2 | Very low | 70 Ų | 70 | 142.9 Ų | 142.9 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | | | trans | 168 | 121.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 981 | S | 35.1 | Very low | 31.1 | Very low | 116 Ų | 116 | 141.6 Ų | 141.6 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | | | trans | -76.7 | 152.4 | 147.6 | 51.4 | 0 | 0 | 0 | 0 | 108.1 | | |
| 982 | P | 38.2 | Very low | 31 | Very low | 118 Ų | 118 | 138.6 Ų | 138.6 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | | | | -124.8 | -153 | 57.3 | 29.2 | -5.4 | 0 | 0 | 0 | 110.4 | | |
| 983 | Q | 28.2 | Very low | 31.8 | Very low | 150 Ų | 150 | 135 Ų | 135 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | | | cis | -166.7 | 148.7 | 24.6 | -177.7 | 176.7 | -12.6 | 0 | 0 | 111.4 | L985 | Q983-L985 PolarHBondContact NE2-O 2.9Å; Q983-L985 VanDerWaalsContact NE2-O 3.08Å |
| 984 | E | 26.1 | Very low | 31.3 | Very low | 170 Ų | 170 | 137 Ų | 137 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | | | trans | -107.1 | 134.8 | 157.2 | -160.7 | -174.4 | 143.4 | 0 | 0 | 108.5 | | |
| 985 | L | 29.5 | Very low | 31 | Very low | 117 Ų | 117 | 133.9 Ų | 133.9 | 61% | 0.613 | 76% | 0.763 | S | S | * | * | | | trans | 58.5 | 123.2 | 173.4 | -69.2 | 153.6 | 0 | 0 | 0 | 117.8 | Q983 | Q983-L985 PolarHBondContact NE2-O 2.9Å; Q983-L985 VanDerWaalsContact NE2-O 3.08Å |
| 986 | Q | 28.9 | Very low | 30.5 | Very low | 136 Ų | 136 | 134.6 Ų | 134.6 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | | | | 155.4 | 114 | 94 | -166.2 | 75.5 | 86.6 | 0 | 0 | 112.8 | | |
| 987 | Q | 28.7 | Very low | 30.1 | Very low | 174 Ų | 174 | 137 Ų | 137 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | | | trans | 72.1 | 170.6 | 161.1 | -68.7 | 173.2 | 124.7 | 0 | 0 | 119.6 | | |
| 988 | T | 26.4 | Very low | 29.8 | Very low | 132 Ų | 132 | 136.6 Ų | 136.6 | 81% | 0.81 | 76% | 0.759 | S | S | * | * | | | trans | -124.2 | -174.2 | -157.2 | 51.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 989 | P | 39 | Very low | 29.9 | Very low | 128 Ų | 128 | 137.5 Ų | 137.5 | 83% | 0.831 | 75% | 0.753 | S | S | * | * | | | cis | -125 | 177.9 | -49.1 | 35.1 | -20.1 | 0 | 0 | 0 | 112.1 | | |
| 990 | G | 26.3 | Very low | 30 | Very low | 70 Ų | 70 | 135.2 Ų | 135.2 | 72% | 0.722 | 75% | 0.746 | S | S | * | * | | | trans | 175 | 121.5 | 165.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 991 | S | 29.2 | Very low | 30.4 | Very low | 120 Ų | 120 | 139.5 Ų | 139.5 | 84% | 0.839 | 75% | 0.747 | S | S | * | * | | | trans | 3.4 | 130.6 | 155.2 | 54.2 | 0 | 0 | 0 | 0 | 121.7 | | |
| 992 | G | 26.6 | Very low | 30.5 | Very low | 68 Ų | 68 | 140.8 Ų | 140.8 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | | | trans | -85.4 | -145 | 147.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 993 | P | 46.5 | Very low | 30.3 | Very low | 113 Ų | 113 | 142.3 Ų | 142.3 | 73% | 0.734 | 74% | 0.737 | S | S | * | * | | | cis | -132.8 | -156.9 | -3.7 | 29 | -3.3 | 0 | 0 | 0 | 112.4 | | |
| 994 | E | 24.7 | Very low | 30.6 | Very low | 157 Ų | 157 | 143.3 Ų | 143.3 | 73% | 0.734 | 74% | 0.742 | S | S | * | * | | | trans | 69.7 | 160.2 | 160.1 | -60.8 | -161.9 | 67 | 0 | 0 | 118.3 | | |
| 995 | Q | 29 | Very low | 31.1 | Very low | 146 Ų | 146 | 142.9 Ų | 142.9 | 68% | 0.682 | 74% | 0.74 | S | S | * | * | | | cis | -159.4 | -178.7 | -29.1 | -111.1 | -151.3 | 79.3 | 0 | 0 | 109.2 | | |
| 996 | Q | 26.3 | Very low | 31.5 | Very low | 159 Ų | 159 | 143.8 Ų | 143.8 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | | | trans | 91.9 | 98.6 | 139.3 | -122.7 | 172 | -111.5 | 0 | 0 | 123 | | |
| 997 | W | 25.8 | Very low | 31.8 | Very low | 210 Ų | 210 | 143.6 Ų | 143.6 | 80% | 0.795 | 74% | 0.74 | S | S | * | * | | | trans | 80.2 | 178.3 | 130.1 | -83.2 | 67.1 | 0 | 0 | 0 | 122.9 | | |
| 998 | K | 27.8 | Very low | 32 | Very low | 158 Ų | 158 | 141.6 Ų | 141.6 | 69% | 0.687 | 73% | 0.731 | S | S | * | * | | | trans | -105.9 | 175.1 | -146.8 | -48.4 | 167.9 | -175.4 | 170.3 | 0 | 114.1 | | |
| 999 | Q | 30.6 | Very low | 32.2 | Very low | 164 Ų | 164 | 142.6 Ų | 142.6 | 77% | 0.766 | 73% | 0.726 | S | S | * | * | | | trans | 112.3 | 158.1 | 133.5 | -150.8 | -175.7 | 78 | 0 | 0 | 118.1 | | |
| 1000 | Q | 30.9 | Very low | 32.9 | Very low | 163 Ų | 163 | 141.3 Ų | 141.3 | 76% | 0.762 | 72% | 0.718 | S | S | * | * | | | trans | 75.5 | 126.6 | 171.9 | -52.9 | -178.7 | 7.4 | 0 | 0 | 114.9 | | |
| 1001 | Q | 34.5 | Very low | 33.8 | Very low | 160 Ų | 160 | 143.1 Ų | 143.1 | 75% | 0.748 | 72% | 0.717 | S | S | * | * | | | cis | 82.6 | 136 | 10.2 | -146.4 | -160.2 | 73.6 | 0 | 0 | 117.5 | | |
| 1002 | Q | 36.8 | Very low | 33.7 | Very low | 144 Ų | 144 | 144.9 Ų | 144.9 | 67% | 0.673 | 72% | 0.716 | S | S | * | * | | | trans | 80.8 | 156.7 | 170 | -46.3 | -166.8 | 15.4 | 0 | 0 | 115.7 | | |
| 1003 | Q | 34.3 | Very low | 34 | Very low | 150 Ų | 150 | 149.8 Ų | 149.8 | 70% | 0.701 | 72% | 0.721 | S | S | * | * | | | cis | -157.2 | -172.7 | 7.5 | -144.6 | 179.8 | 81.2 | 0 | 0 | 112.6 | | |
| 1004 | Q | 34.2 | Very low | 33.3 | Very low | 171 Ų | 171 | 150.5 Ų | 150.5 | 80% | 0.799 | 71% | 0.714 | S | S | * | * | | | trans | 75.8 | 122.3 | 172.2 | -67.4 | 173.7 | 94.3 | 0 | 0 | 115.7 | | |
| 1005 | Q | 36.9 | Very low | 33.6 | Very low | 160 Ų | 160 | 149.2 Ų | 149.2 | 75% | 0.748 | 71% | 0.708 | S | S | * | * | | | cis | 67.5 | 139.9 | 13.1 | -92.3 | -165.9 | 86.7 | 0 | 0 | 115.7 | | |
| 1006 | Q | 38.3 | Very low | 33.6 | Very low | 136 Ų | 136 | 147.7 Ų | 147.7 | 64% | 0.636 | 70% | 0.696 | S | S | * | * | | | cis | -158 | -156.8 | 8.7 | -151.4 | -160.4 | 76.6 | 0 | 0 | 111.8 | | |
| 1007 | Q | 34.5 | Very low | 33.7 | Very low | 132 Ų | 132 | 147.3 Ų | 147.3 | 62% | 0.617 | 69% | 0.688 | S | S | * | * | | | trans | 78.1 | 158.2 | 170.3 | -60.1 | -68.2 | -72 | 0 | 0 | 117.5 | | |
| 1008 | Q | 32.8 | Very low | 33.8 | Very low | 133 Ų | 133 | 143.8 Ų | 143.8 | 62% | 0.621 | 69% | 0.685 | S | S | * | * | | | cis | 153 | 147.2 | -30.4 | -94.1 | -145.9 | 123.7 | 0 | 0 | 107.7 | | |
| 1009 | Q | 30.7 | Very low | 33.8 | Very low | 153 Ų | 153 | 141.8 Ų | 141.8 | 72% | 0.715 | 69% | 0.691 | S | S | * | * | | | cis | -155.9 | 169.1 | -8.7 | -87.5 | -80.7 | 14 | 0 | 0 | 108.5 | | |
| 1010 | P | 54.8 | Low | 33.7 | Very low | 101 Ų | 101 | 139.5 Ų | 139.5 | 66% | 0.656 | 69% | 0.693 | S | S | * | * | | | trans | -104 | -169.3 | -176.7 | 41.3 | -33.8 | 0 | 0 | 0 | 114.3 | | |
| 1011 | P | 44.4 | Very low | 33.7 | Very low | 108 Ų | 108 | 139 Ų | 139 | 70% | 0.701 | 69% | 0.694 | S | S | * | * | | | | -151.3 | 147.1 | 99.8 | 37.8 | -20.4 | 0 | 0 | 0 | 118.2 | | |
| 1012 | L | 28.3 | Very low | 33.5 | Very low | 157 Ų | 157 | 139.4 Ų | 139.4 | 82% | 0.822 | 70% | 0.697 | S | S | * | * | | | trans | 59.2 | 152.8 | 144.2 | -57.2 | 169.4 | 0 | 0 | 0 | 119.7 | | |
| 1013 | Q | 32.2 | Very low | 33 | Very low | 170 Ų | 170 | 137.8 Ų | 137.8 | 79% | 0.794 | 70% | 0.701 | S | S | * | * | | | cis | -147.8 | -174.4 | 4.6 | -147.5 | 169.7 | 4.7 | 0 | 0 | 111.7 | | |
| 1014 | Q | 32 | Very low | 32.6 | Very low | 128 Ų | 128 | 133.1 Ų | 133.1 | 60% | 0.598 | 69% | 0.688 | S | S | * | * | | | trans | -66.9 | -179.8 | 176.8 | -58.1 | 167.8 | -31.7 | 0 | 0 | 112.7 | D883 | D883-Q1014 PolarHBondContact OD1-NE2 3.24Å; D883-Q1014 VanDerWaalsContact OD1-NE2 3.1Å |
| 1015 | Q | 31.2 | Very low | 32.3 | Very low | 130 Ų | 130 | 132.1 Ų | 132.1 | 61% | 0.607 | 69% | 0.688 | S | S | * | * | | | cis | -157.2 | -167 | 20 | -150.7 | 179.7 | -7.2 | 0 | 0 | 112.5 | D883 | D883-Q1015 PolarHBondContact O-NE2 3.44Š|
| 1016 | R | 28.1 | Very low | 32.1 | Very low | 115 Ų | 115 | 132.1 Ų | 132.1 | 43% | 0.434 | 69% | 0.686 | S | S | . | * | | | trans | -82 | 160.4 | -166.7 | -65.9 | -176.6 | 178.7 | -127.8 | 9.8 | 117.2 | T879 | T879-R1016 PolarHBondContact O-NH2 2.95Š|
| 1017 | R | 28.5 | Very low | 32 | Very low | 151 Ų | 151 | 129.3 Ų | 129.3 | 57% | 0.57 | 68% | 0.68 | S | S | * | * | | | trans | 67.4 | 117.2 | 139.7 | -84.4 | -166.9 | -75.4 | -151.8 | -0.5 | 122.4 | | |
| 1018 | N | 28.8 | Very low | 31.6 | Very low | 135 Ų | 135 | 125.3 Ų | 125.3 | 72% | 0.722 | 67% | 0.673 | S | S | * | * | | | | 52 | 136.1 | 120.6 | -58.1 | 6.3 | 0 | 0 | 0 | 123.2 | | |
| 1019 | S | 28.1 | Very low | 31.5 | Very low | 117 Ų | 117 | 122 Ų | 122 | 82% | 0.818 | 67% | 0.669 | S | S | * | * | | | trans | 65.7 | 143.6 | 151.4 | 36.6 | 0 | 0 | 0 | 0 | 118.7 | | |
| 1020 | S | 27.6 | Very low | 31.4 | Very low | 116 Ų | 116 | 121.7 Ų | 121.7 | 81% | 0.811 | 67% | 0.667 | S | S | * | * | | | cis | -157.7 | -175.8 | -5.6 | 47.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1021 | L | 30.3 | Very low | 30.1 | Very low | 151 Ų | 151 | 120.1 Ų | 120.1 | 79% | 0.791 | 66% | 0.656 | S | S | * | * | | | trans | -57 | 163.4 | 178.8 | -51.2 | 169.5 | 0 | 0 | 0 | 112.5 | | |
| 1022 | Q | 30 | Very low | 30 | Very low | 170 Ų | 170 | 119.5 Ų | 119.5 | 79% | 0.794 | 65% | 0.652 | S | S | * | * | | | cis | -169 | 156.3 | 27.7 | -151.6 | 174.7 | 99.6 | 0 | 0 | 113.5 | | |
| 1023 | S | 27.8 | Very low | 30.1 | Very low | 110 Ų | 110 | 117.7 Ų | 117.7 | 77% | 0.769 | 64% | 0.639 | S | S | * | * | | | trans | 67 | 131.2 | 150.7 | -152 | 0 | 0 | 0 | 0 | 122.9 | | |
| 1024 | A | 26.2 | Very low | 30 | Very low | 52 Ų | 52 | 117 Ų | 117 | 43% | 0.43 | 63% | 0.634 | S | S | . | * | | | | 170.8 | 128.3 | 119.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | N718 | N718-A1024 PolarHBondContact OD1-O 3.22Š|
| 1025 | N | 26.7 | Very low | 30 | Very low | 150 Ų | 150 | 116 Ų | 116 | 80% | 0.802 | 63% | 0.633 | S | S | * | * | | | trans | 65.2 | 160.8 | 136.4 | -70.7 | -19.3 | 0 | 0 | 0 | 128.4 | | |
| 1026 | K | 33.3 | Very low | 30 | Very low | 159 Ų | 159 | 116.8 Ų | 116.8 | 69% | 0.691 | 64% | 0.639 | S | S | * | * | | | trans | -129.9 | 167.8 | 170.4 | -48.5 | 172.6 | -175.5 | 174.9 | 0 | 109.1 | | |
| 1027 | P | 35.4 | Very low | 30.4 | Very low | 78 Ų | 78 | 116.4 Ų | 116.4 | 51% | 0.506 | 65% | 0.651 | S | S | . | * | | | | -145.9 | -135.7 | 124.9 | 26.7 | -2.2 | 0 | 0 | 0 | 110 | P714 R715 S716 | P714-P1027 CarbonylContact C-O 2.83Å; R715-P1027 CarbonylContact C-O 3.09Å; R715-P1027 WeakPolarHBondContact CA-O 3.46Å; R715-P1027 PolarHBondContact N-O 2.89Å; S716-P1027 PolarHBondContact N-O 3.33Å; S716-P1027 WeakPolarHBondContact O-CD 3.23Å |
| 1028 | G | 27.4 | Very low | 31 | Very low | 47 Ų | 47 | 114.9 Ų | 114.9 | 49% | 0.485 | 66% | 0.661 | S | S | . | * | | | trans | 126.3 | -132.8 | 162.5 | 0 | 0 | 0 | 0 | 0 | 121.4 | P714 R715 | P714-G1028 WeakPolarHBondContact CB-O 3.49Å; R715-G1028 VanDerWaalsContact C-CA 3.47Å; R715-G1028 WeakPolarHBondContact O-CA 3.06Å |
| 1029 | A | 30 | Very low | 31 | Very low | 64 Ų | 64 | 113.5 Ų | 113.5 | 53% | 0.529 | 66% | 0.662 | S | S | . | * | | | trans | -150.3 | 169.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | N713 P714 R715 | N713-A1029 CarbonylContact O-C 3.55Å; P714-A1029 VanDerWaalsContact CA-N 3.29Å; P714-A1029 WeakPolarHBondContact CA-O 3.39Å; P714-A1029 VanDerWaalsContact CB-N 3.27Å; R715-A1029 PolarHBondContact N-O 3.41Å |
| 1030 | Q | 28.5 | Very low | 31.1 | Very low | 146 Ų | 146 | 114.3 Ų | 114.3 | 68% | 0.682 | 66% | 0.662 | S | S | * | * | | | cis | -152.9 | -148.8 | -2.2 | -137.5 | -156 | 66.8 | 0 | 0 | 116.3 | M712 N713 | M712-Q1030 WeakPolarHBondContact CB-O 3.46Å; M712-Q1030 WeakPolarHBondContact CG-O 3.34Å; N713-Q1030 CarbonylContact O-C 3.58Å; N713-Q1030 WeakPolarHBondContact O-CA 3.15Å; N713-Q1030 PolarHBondContact O-N 2.95Å |
| 1031 | V | 27.6 | Very low | 31.2 | Very low | 68 Ų | 68 | 120.3 Ų | 120.3 | 41% | 0.412 | 67% | 0.667 | S | S | . | * | | | trans | -115.6 | -171.1 | -162.7 | -115.3 | 0 | 0 | 0 | 0 | 115.9 | H711 M712 | H711-V1031 HydrophobicContact CB-CG1 3.77Å; M712-V1031 HydrophobicContact CB-CB 4.25Å; M712-V1031 HydrophobicContact CB-CG1 3.48Å; M712-V1031 VanDerWaalsContact CB-CG1 3.48Å; M712-V1031 WeakPolarHBondContact CE-O 3.42Å |
| 1032 | P | 43.2 | Very low | 31.4 | Very low | 95 Ų | 95 | 122.4 Ų | 122.4 | 62% | 0.617 | 67% | 0.672 | S | S | * | * | | | cis | -140.8 | -176.9 | -4.5 | 40.1 | -17.9 | 0 | 0 | 0 | 119.8 | H711 | H711-P1032 VanDerWaalsContact CE1-C 3.46Š|
| 1033 | Q | 29.5 | Very low | 31.5 | Very low | 119 Ų | 119 | 117.7 Ų | 117.7 | 56% | 0.556 | 67% | 0.67 | S | S | * | * | | | trans | 48.4 | -174.4 | 166.9 | -62.1 | -161.4 | 14.1 | 0 | 0 | 122 | R710 H711 | R710-Q1033 PolarHBondContact NH1-O 2.73Å; H711-Q1033 VanDerWaalsContact CE1-CA 3.43Å; H711-Q1033 WeakPolarHBondContact CE1-CA 3.43Å; H711-Q1033 PolarHBondContact CE1-N 2.88Å; H711-Q1033 VanDerWaalsContact NE2-CA 3.32Å; H711-Q1033 WeakPolarHBondContact NE2-CA 3.22Å; H711-Q1033 PolarHBondContact NE2-N 2.81Å |
| 1034 | K | 30.5 | Very low | 32.7 | Very low | 156 Ų | 156 | 118.8 Ų | 118.8 | 68% | 0.678 | 67% | 0.674 | S | S | * | * | | | | -105.8 | 171.8 | -92.6 | -81.5 | 151.1 | 173.6 | 156.5 | 0 | 111.4 | R710 | R710-K1034 VanDerWaalsContact CZ-C 3.41Å; R710-K1034 PolarHBondContact NH2-O 2.98Å |
| 1035 | N | 30.8 | Very low | 32.8 | Very low | 108 Ų | 108 | 120.5 Ų | 120.5 | 58% | 0.578 | 69% | 0.688 | S | S | * | * | | | cis | -134.6 | -113.9 | -1.8 | -154.8 | 21.6 | 0 | 0 | 0 | 116.4 | R710 | R710-N1035 VanDerWaalsContact CZ-O 3.23Å; R710-N1035 PolarHBondContact NE-O 3.24Å; R710-N1035 PolarHBondContact NH2-O 2.67Å |
| 1036 | I | 31.8 | Very low | 33 | Very low | 145 Ų | 145 | 122.5 Ų | 122.5 | 74% | 0.744 | 69% | 0.693 | S | S | * | * | | | trans | -99.4 | 163.4 | -156.9 | -84 | 169.4 | 0 | 0 | 0 | 115.4 | | |
| 1037 | P | 37 | Very low | 33.2 | Very low | 107 Ų | 107 | 120.9 Ų | 120.9 | 70% | 0.695 | 70% | 0.696 | S | S | * | * | | | trans | -124.8 | -160.4 | -157.3 | 45.9 | -31.8 | 0 | 0 | 0 | 115 | | |
| 1038 | P | 40.6 | Very low | 32.9 | Very low | 119 Ų | 119 | 125.7 Ų | 125.7 | 77% | 0.773 | 72% | 0.717 | S | S | * | * | | | cis | -115.4 | -160.8 | -40.5 | 32.9 | -11.9 | 0 | 0 | 0 | 110.2 | | |
| 1039 | S | 28.1 | Very low | 33.3 | Very low | 106 Ų | 106 | 126.3 Ų | 126.3 | 74% | 0.741 | 72% | 0.724 | S | S | * | * | | | cis | -163.1 | 178.3 | 16.5 | -158.8 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1040 | V | 30.3 | Very low | 33.6 | Very low | 135 Ų | 135 | 129.1 Ų | 129.1 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | | | trans | 70.7 | 113.3 | 167.8 | -168.2 | 0 | 0 | 0 | 0 | 118.2 | | |
| 1041 | R | 30.1 | Very low | 33.9 | Very low | 241 Ų | 241 | 131.8 Ų | 131.8 | 91% | 0.909 | 75% | 0.746 | S | S | * | * | | | trans | -106.6 | 155.9 | 157.8 | -95.8 | -171.6 | 171.6 | -160.7 | -1.6 | 110.1 | | |
| 1042 | Q | 33.9 | Very low | 34.6 | Very low | 195 Ų | 195 | 134.7 Ų | 134.7 | 91% | 0.911 | 77% | 0.766 | S | S | * | * | | | trans | -72.7 | 163.3 | 159.7 | -60.1 | 146.3 | -12.3 | 0 | 0 | 109.5 | | |
| 1043 | G | 33.3 | Very low | 34.1 | Very low | 72 Ų | 72 | 133.6 Ų | 133.6 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | | | cis | -170.3 | -121.5 | 6.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 1044 | P | 51.6 | Low | 34.7 | Very low | 132 Ų | 132 | 133.1 Ų | 133.1 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | | | | -111.6 | 162.9 | -121 | 39.8 | -35.6 | 0 | 0 | 0 | 116.8 | | |
| 1045 | A | 28.8 | Very low | 35 | Very low | 88 Ų | 88 | 135.4 Ų | 135.4 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | | | trans | -167.8 | 131.4 | 152.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 1046 | Q | 30.4 | Very low | 35.6 | Very low | 192 Ų | 192 | 141.5 Ų | 141.5 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | | | trans | 64.6 | 170.3 | 137.3 | -65.9 | -170.1 | 66.4 | 0 | 0 | 122.9 | | |
| 1047 | T | 37.3 | Very low | 36.3 | Very low | 125 Ų | 125 | 141.5 Ų | 141.5 | 77% | 0.767 | 82% | 0.82 | S | S | * | * | | | trans | -133.2 | 153.8 | -162 | 52.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1048 | L | 29.2 | Very low | 36.4 | Very low | 179 Ų | 179 | 141.3 Ų | 141.3 | 94% | 0.937 | 82% | 0.817 | S | S | * | * | | | trans | -172.4 | 153.2 | 138.4 | -103.2 | 159.2 | 0 | 0 | 0 | 110.5 | | |
| 1049 | G | 35.9 | Very low | 36.3 | Very low | 61 Ų | 61 | 144.5 Ų | 144.5 | 63% | 0.629 | 82% | 0.824 | S | S | * | * | | | trans | -101.1 | -176.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 1050 | P | 37.3 | Very low | 37.1 | Very low | 122 Ų | 122 | 147.5 Ų | 147.5 | 79% | 0.792 | 83% | 0.826 | S | S | * | * | | | | -148.2 | 146.4 | 120.1 | 36.3 | -20.7 | 0 | 0 | 0 | 117.5 | | |
| 1051 | K | 34.2 | Very low | 37.5 | Very low | 202 Ų | 202 | 151.9 Ų | 151.9 | 88% | 0.878 | 83% | 0.828 | S | S | * | * | | | trans | 65.5 | 146 | 146 | -68.9 | 178.9 | 178 | 179.7 | 0 | 120.9 | | |
| 1052 | P | 42 | Very low | 37.5 | Very low | 130 Ų | 130 | 146.1 Ų | 146.1 | 84% | 0.844 | 82% | 0.819 | S | S | * | * | | | trans | -88.4 | 149.8 | 178.1 | 36.2 | -34.9 | 0 | 0 | 0 | 112.8 | | |
| 1053 | G | 33.8 | Very low | 37.4 | Very low | 72 Ų | 72 | 145.6 Ų | 145.6 | 74% | 0.742 | 81% | 0.814 | S | S | * | * | | | trans | -119.1 | 115.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1054 | A | 40.8 | Very low | 37.2 | Very low | 108 Ų | 108 | 149.7 Ų | 149.7 | 89% | 0.893 | 82% | 0.819 | S | S | * | * | | | trans | -70.6 | 130.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1055 | K | 37.7 | Very low | 36.2 | Very low | 205 Ų | 205 | 149.3 Ų | 149.3 | 89% | 0.891 | 82% | 0.819 | S | S | * | * | | | trans | -137.1 | 138.4 | 170.1 | -70.7 | -165.5 | 175.7 | -176.1 | 0 | 112.5 | | |
| 1056 | R | 44.5 | Very low | 36.1 | Very low | 235 Ų | 235 | 148.7 Ų | 148.7 | 89% | 0.887 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 143.3 | -176.2 | -58.5 | 166.6 | 176.1 | 168.9 | -4.8 | 112.4 | | |
| 1057 | T | 45.4 | Very low | 36.3 | Very low | 145 Ų | 145 | 146.4 Ų | 146.4 | 89% | 0.89 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 127.5 | 149.2 | -59.4 | 0 | 0 | 0 | 0 | 107.9 | | |
| 1058 | V | 38.3 | Very low | 35.8 | Very low | 104 Ų | 104 | 149.4 Ų | 149.4 | 63% | 0.63 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -90 | 132.7 | -174.8 | 171.7 | 0 | 0 | 0 | 0 | 110.3 | Q1060 | V1058-Q1060 HydrophobicContact CG1-CG 4.24Å; V1058-Q1060 PolarHBondContact O-N 3.43Å; V1058-Q1060 VanDerWaalsContact O-N 3.12Å |
| 1059 | M | 38.8 | Very low | 36.3 | Very low | 186 Ų | 186 | 145.2 Ų | 145.2 | 92% | 0.916 | 82% | 0.817 | S | S | * | * | | | trans | -70.8 | 98.7 | 163.5 | -71.3 | -178.3 | 69.4 | 0 | 0 | 109.5 | R1061 | M1059-R1061 PolarHBondContact O-N 3.2Å; M1059-R1061 VanDerWaalsContact O-N 3.11Å |
| 1060 | Q | 44.5 | Very low | 36.1 | Very low | 168 Ų | 168 | 149.9 Ų | 149.9 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | | | trans | -77.3 | 97.2 | 170.2 | -71.1 | -160 | 21 | 0 | 0 | 110.6 | V1058 V1062 | V1058-Q1060 HydrophobicContact CG1-CG 4.24Å; V1058-Q1060 PolarHBondContact O-N 3.43Å; V1058-Q1060 VanDerWaalsContact O-N 3.12Å; Q1060-V1062 PolarHBondContact O-N 3.39Å; Q1060-V1062 VanDerWaalsContact O-N 3.16Å |
| 1061 | R | 39.3 | Very low | 36.1 | Very low | 228 Ų | 228 | 151.5 Ų | 151.5 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | | | trans | -70.8 | 96.4 | 165.7 | 177.3 | -166.8 | -70 | 172.3 | -2.7 | 108.8 | M1059 | M1059-R1061 PolarHBondContact O-N 3.2Å; M1059-R1061 VanDerWaalsContact O-N 3.11Å |
| 1062 | V | 30.7 | Very low | 36.7 | Very low | 119 Ų | 119 | 147.4 Ų | 147.4 | 72% | 0.721 | 81% | 0.811 | S | S | * | * | | | trans | -87.5 | 109 | 168.5 | -176.5 | 0 | 0 | 0 | 0 | 109.2 | Q1060 | Q1060-V1062 PolarHBondContact O-N 3.39Å; Q1060-V1062 VanDerWaalsContact O-N 3.16Å |
| 1063 | K | 30.7 | Very low | 36.5 | Very low | 185 Ų | 185 | 146.5 Ų | 146.5 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | | | trans | -133.3 | 108.8 | 162.6 | -84.4 | -167.7 | 174.2 | -171.7 | 0 | 107.8 | | |
| 1064 | N | 29.4 | Very low | 36.6 | Very low | 158 Ų | 158 | 150 Ų | 150 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | | | trans | -107.1 | 125.3 | 158.8 | -78.2 | 29 | 0 | 0 | 0 | 107.9 | | |
| 1065 | S | 31.1 | Very low | 36.5 | Very low | 123 Ų | 123 | 153 Ų | 153 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | | | trans | -80.6 | 153.5 | 159.4 | 44.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1066 | G | 26.3 | Very low | 36.2 | Very low | 76 Ų | 76 | 149.4 Ų | 149.4 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | | | trans | 175.1 | 101.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1067 | V | 34.1 | Very low | 36 | Very low | 144 Ų | 144 | 148.7 Ų | 148.7 | 87% | 0.873 | 79% | 0.787 | S | S | * | * | | | trans | -109.2 | 123.7 | -172.6 | -172.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1068 | E | 28.1 | Very low | 35.6 | Very low | 188 Ų | 188 | 148.9 Ų | 148.9 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | | | trans | -150.4 | 139.1 | 154.3 | -162.9 | 157.7 | -139.5 | 0 | 0 | 110.2 | | |
| 1069 | A | 38.8 | Very low | 35.3 | Very low | 91 Ų | 91 | 149.2 Ų | 149.2 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | | | trans | -145.8 | 119.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 1070 | Q | 32.7 | Very low | 35 | Very low | 159 Ų | 159 | 149.2 Ų | 149.2 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | | | trans | -153 | 142.2 | 170 | -91.3 | -164.1 | -89.1 | 0 | 0 | 109.1 | | |
| 1071 | Q | 35.7 | Very low | 34.6 | Very low | 156 Ų | 156 | 149 Ų | 149 | 73% | 0.729 | 79% | 0.788 | S | S | * | * | | | cis | -159.6 | 156.2 | -13.3 | -148.4 | 165.9 | 42 | 0 | 0 | 110.5 | | |
| 1072 | V | 48.3 | Very low | 34 | Very low | 116 Ų | 116 | 143.4 Ų | 143.4 | 70% | 0.703 | 78% | 0.784 | S | S | * | * | | | trans | -103.4 | 135.1 | 172.6 | 178.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 1073 | P | 37.8 | Very low | 34.3 | Very low | 110 Ų | 110 | 140.8 Ų | 140.8 | 71% | 0.714 | 78% | 0.781 | S | S | * | * | | | trans | -93.3 | 121.5 | 155 | 33 | -25.4 | 0 | 0 | 0 | 109.3 | | |
| 1074 | Q | 36 | Very low | 34.6 | Very low | 146 Ų | 146 | 138.5 Ų | 138.5 | 68% | 0.682 | 79% | 0.785 | S | S | * | * | | | | 57.6 | 134.6 | 60.3 | -55.3 | -173.2 | 8.2 | 0 | 0 | 112.1 | | |
| 1075 | K | 37.2 | Very low | 34.7 | Very low | 170 Ų | 170 | 135.6 Ų | 135.6 | 74% | 0.739 | 78% | 0.777 | S | S | * | * | | | cis | -161.4 | 173.4 | 35.9 | -129.2 | 155.9 | -66.3 | -170.4 | 0 | 108.3 | | |
| 1076 | V | 33.2 | Very low | 34.5 | Very low | 131 Ų | 131 | 133.6 Ų | 133.6 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | | | cis | -128.8 | -116.3 | 8.3 | -164.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1077 | R | 39.9 | Very low | 35 | Very low | 220 Ų | 220 | 139 Ų | 139 | 83% | 0.83 | 78% | 0.778 | S | S | * | * | | | trans | -163.2 | 154.6 | 177.8 | -64.6 | -176.3 | 178 | 103.3 | -3.6 | 109.6 | | |
| 1078 | V | 37.3 | Very low | 35.2 | Very low | 148 Ų | 148 | 135.9 Ų | 135.9 | 90% | 0.897 | 78% | 0.775 | S | S | * | * | | | trans | -137.2 | 150.9 | 146.8 | -179.1 | 0 | 0 | 0 | 0 | 107.4 | | |
| 1079 | V | 31.8 | Very low | 36 | Very low | 111 Ų | 111 | 133 Ų | 133 | 67% | 0.673 | 77% | 0.772 | S | S | * | * | | | trans | -136.4 | 144.1 | -167.2 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 1080 | K | 32.5 | Very low | 35.4 | Very low | 187 Ų | 187 | 137.6 Ų | 137.6 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | | | trans | 66.4 | 152.2 | 178.8 | -84.8 | 176.2 | 174.2 | 177.7 | 0 | 113.5 | | |
| 1081 | L | 35 | Very low | 35.4 | Very low | 162 Ų | 162 | 134.1 Ų | 134.1 | 85% | 0.848 | 78% | 0.777 | S | S | * | * | | | cis | -131 | -171.6 | 35.9 | -80.6 | 164.3 | 0 | 0 | 0 | 115.1 | | |
| 1082 | S | 26.8 | Very low | 35.1 | Very low | 111 Ų | 111 | 132.6 Ų | 132.6 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | | | trans | -75.3 | 162.1 | -173.3 | 49.2 | 0 | 0 | 0 | 0 | 115.5 | | |
| 1083 | G | 37.7 | Very low | 34.1 | Very low | 65 Ų | 65 | 132.8 Ų | 132.8 | 67% | 0.67 | 79% | 0.785 | S | S | * | * | | | trans | -74.8 | -171 | 167.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1084 | P | 37.1 | Very low | 33.7 | Very low | 137 Ų | 137 | 132.9 Ų | 132.9 | 89% | 0.89 | 79% | 0.788 | S | S | * | * | | | | -142.1 | 173.7 | 115.5 | 40.2 | -28.8 | 0 | 0 | 0 | 115.3 | | |
| 1085 | S | 30.3 | Very low | 34.6 | Very low | 97 Ų | 97 | 131.9 Ų | 131.9 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | | | trans | -65.8 | 148.2 | 173.8 | 159.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1086 | G | 28.6 | Very low | 34.2 | Very low | 81 Ų | 81 | 129.9 Ų | 129.9 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | | | trans | -120 | 130.2 | 155.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1087 | K | 37.2 | Very low | 34.1 | Very low | 190 Ų | 190 | 130.6 Ų | 130.6 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | | | trans | -131.1 | 122.4 | -179.7 | -82.1 | -171.6 | 174.9 | -172.4 | 0 | 111.3 | | |
| 1088 | G | 37.5 | Very low | 33.8 | Very low | 78 Ų | 78 | 127.4 Ų | 127.4 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | 51.2 | -153.9 | 159.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 1089 | P | 45.5 | Very low | 33.6 | Very low | 127 Ų | 127 | 128.6 Ų | 128.6 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | | | cis | -121.6 | -173.9 | -12.8 | 41.1 | -27.8 | 0 | 0 | 0 | 112.6 | | |
| 1090 | E | 25.5 | Very low | 33.7 | Very low | 188 Ų | 188 | 126.6 Ų | 126.6 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | | | trans | -109.3 | 147.3 | 163.9 | -169.6 | 177.7 | 146.1 | 0 | 0 | 109.7 | | |
| 1091 | A | 31.6 | Very low | 33.6 | Very low | 85 Ų | 85 | 123.4 Ų | 123.4 | 70% | 0.702 | 78% | 0.779 | S | S | * | * | | | trans | 66.6 | 141 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 1092 | T | 30.6 | Very low | 33.2 | Very low | 125 Ų | 125 | 126.2 Ų | 126.2 | 77% | 0.767 | 78% | 0.778 | S | S | * | * | | | cis | -143.1 | 163.3 | 0.9 | 48.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1093 | S | 28.1 | Very low | 33.2 | Very low | 119 Ų | 119 | 128.2 Ų | 128.2 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | | | trans | 75.5 | 152.9 | 157.3 | 73.1 | 0 | 0 | 0 | 0 | 120.2 | | |
| 1094 | S | 28.7 | Very low | 32.9 | Very low | 112 Ų | 112 | 129 Ų | 129 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | | | trans | -114.7 | 177 | -166.3 | -38.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1095 | P | 54.8 | Low | 33.1 | Very low | 126 Ų | 126 | 128.2 Ų | 128.2 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | cis | -128.8 | -138.5 | 26.8 | 33.1 | -6 | 0 | 0 | 0 | 112.2 | | |
| 1096 | V | 28.9 | Very low | 34.1 | Very low | 128 Ų | 128 | 129 Ų | 129 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | | | cis | -147.4 | -113.8 | 16.8 | 65.4 | 0 | 0 | 0 | 0 | 115.2 | | |
| 1097 | Q | 31.3 | Very low | 35.2 | Very low | 145 Ų | 145 | 130.2 Ų | 130.2 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | | | trans | -142.2 | 145.4 | -158.3 | -76.5 | 178.2 | -26.3 | 0 | 0 | 115.1 | | |
| 1098 | Q | 33.8 | Very low | 34.7 | Very low | 153 Ų | 153 | 127.6 Ų | 127.6 | 72% | 0.715 | 76% | 0.761 | S | S | * | * | | | trans | 62.3 | 157.7 | 134.3 | -66.4 | 173.4 | 21.5 | 0 | 0 | 121.4 | | |
| 1099 | Q | 31.5 | Very low | 34.6 | Very low | 174 Ų | 174 | 132.4 Ų | 132.4 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | | | cis | -173.5 | 131.5 | -23.3 | 174.6 | 175.9 | 50.4 | 0 | 0 | 112.2 | | |
| 1100 | G | 33.8 | Very low | 33.9 | Very low | 68 Ų | 68 | 129.9 Ų | 129.9 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | | | trans | 74.5 | 174 | 159.1 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 1101 | T | 31.6 | Very low | 34.3 | Very low | 120 Ų | 120 | 128.1 Ų | 128.1 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | | | cis | -171.4 | 150.9 | -28.9 | 0.5 | 0 | 0 | 0 | 0 | 112.8 | | |
| 1102 | W | 27.1 | Very low | 34.4 | Very low | 221 Ų | 221 | 132 Ų | 132 | 84% | 0.837 | 76% | 0.758 | S | S | * | * | | | trans | 67 | 159.4 | 155.5 | -66.1 | 132.2 | 0 | 0 | 0 | 119.4 | | |
| 1103 | Q | 26.5 | Very low | 34.6 | Very low | 154 Ų | 154 | 137 Ų | 137 | 72% | 0.72 | 76% | 0.763 | S | S | * | * | | | cis | -158 | -179 | -5.1 | -107.3 | -75.4 | 17.7 | 0 | 0 | 110.4 | | |
| 1104 | A | 30.3 | Very low | 34.8 | Very low | 81 Ų | 81 | 140.6 Ų | 140.6 | 67% | 0.669 | 76% | 0.764 | S | S | * | * | | | trans | -119.6 | -153.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 1105 | P | 41.7 | Very low | 35 | Very low | 120 Ų | 120 | 141.2 Ų | 141.2 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | | | cis | -130.3 | -96.2 | 5.9 | 29.7 | -2.3 | 0 | 0 | 0 | 123 | | |
| 1106 | P | 50.7 | Low | 34 | Very low | 113 Ų | 113 | 141.8 Ų | 141.8 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | | | | -130.7 | -140.1 | -124.2 | 42.9 | -19.5 | 0 | 0 | 0 | 120.2 | | |
| 1107 | P | 53.2 | Low | 34.3 | Very low | 107 Ų | 107 | 143.6 Ų | 143.6 | 70% | 0.695 | 77% | 0.766 | S | S | * | * | | | | -139.6 | -171.4 | -109.7 | 46.7 | -25.8 | 0 | 0 | 0 | 119 | | |
| 1108 | N | 26.8 | Very low | 34.4 | Very low | 135 Ų | 135 | 145 Ų | 145 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | | | trans | -176.4 | 139.1 | 150 | -99.4 | -59 | 0 | 0 | 0 | 111.7 | | |
| 1109 | Q | 34.4 | Very low | 34.3 | Very low | 180 Ų | 180 | 141 Ų | 141 | 84% | 0.841 | 78% | 0.775 | S | S | * | * | | | | 56.6 | 136.7 | 84.4 | -59.6 | -165.9 | 94.1 | 0 | 0 | 117.4 | | |
| 1110 | G | 30.8 | Very low | 34.3 | Very low | 73 Ų | 73 | 139.9 Ų | 139.9 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | | | cis | 168.8 | 170.8 | -9.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 1111 | I | 34.7 | Very low | 34.3 | Very low | 151 Ų | 151 | 143.6 Ų | 143.6 | 77% | 0.774 | 77% | 0.769 | S | S | * | * | | | trans | 80.6 | 105.5 | 151.4 | -57.9 | 177.3 | 0 | 0 | 0 | 123.8 | | |
| 1112 | Q | 32.5 | Very low | 34.4 | Very low | 166 Ų | 166 | 145.7 Ų | 145.7 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | | | trans | 58.4 | 158.9 | 133.9 | -61.1 | -171.4 | 9.4 | 0 | 0 | 127.8 | | |
| 1113 | R | 34.8 | Very low | 34.4 | Very low | 232 Ų | 232 | 140 Ų | 140 | 88% | 0.875 | 77% | 0.77 | S | S | * | * | | | trans | 86.6 | 158.4 | 158.4 | -50.3 | 179.5 | -173.8 | -179.3 | 2.4 | 117.7 | | |
| 1114 | K | 32.3 | Very low | 34.4 | Very low | 193 Ų | 193 | 136 Ų | 136 | 84% | 0.839 | 77% | 0.77 | S | S | * | * | | | cis | -166.6 | 130.7 | -41.2 | 179.2 | -178.4 | 177 | -175.6 | 0 | 109.4 | | |
| 1115 | V | 34.3 | Very low | 35.1 | Very low | 125 Ų | 125 | 137.6 Ų | 137.6 | 76% | 0.758 | 77% | 0.774 | S | S | * | * | | | trans | 17.6 | 129.1 | 158.6 | -173.5 | 0 | 0 | 0 | 0 | 121 | | |
| 1116 | T | 32.9 | Very low | 34.6 | Very low | 138 Ų | 138 | 135.4 Ų | 135.4 | 85% | 0.847 | 77% | 0.773 | S | S | * | * | | | | 178.6 | 168.8 | 129.4 | -72.3 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1117 | M | 34.8 | Very low | 33.5 | Very low | 166 Ų | 166 | 133.7 Ų | 133.7 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | | | trans | -120.9 | 172.7 | -171 | -74.9 | -109.6 | 70.5 | 0 | 0 | 114.8 | | |
| 1118 | M | 33.4 | Very low | 32.4 | Very low | 174 Ų | 174 | 133.6 Ų | 133.6 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | | | trans | 91.1 | 153 | 158.4 | -58.4 | -163.3 | 70 | 0 | 0 | 120.8 | | |
| 1119 | G | 31.6 | Very low | 33.3 | Very low | 71 Ų | 71 | 132.4 Ų | 132.4 | 73% | 0.732 | 77% | 0.773 | S | S | * | * | | | trans | 111 | 79.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1120 | Q | 32.6 | Very low | 33.2 | Very low | 150 Ų | 150 | 132.1 Ų | 132.1 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | | | | 63.8 | 114 | 71.6 | -81.3 | -152 | 22.7 | 0 | 0 | 117.9 | | |
| 1121 | Q | 33.1 | Very low | 33.2 | Very low | 145 Ų | 145 | 133 Ų | 133 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | | | trans | 67.9 | 152.3 | 141.3 | -58.4 | -160.9 | 87.8 | 0 | 0 | 118.5 | | |
| 1122 | Q | 33.1 | Very low | 32.9 | Very low | 165 Ų | 165 | 130.9 Ų | 130.9 | 77% | 0.771 | 77% | 0.771 | S | S | * | * | | | cis | -158.1 | 171.6 | -3.2 | -130 | -175.3 | 29.9 | 0 | 0 | 111.8 | | |
| 1123 | A | 27.8 | Very low | 32.7 | Very low | 100 Ų | 100 | 134.5 Ų | 134.5 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | | | trans | 70.7 | 152.7 | 158.5 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 1124 | G | 25.9 | Very low | 32.3 | Very low | 71 Ų | 71 | 127.3 Ų | 127.3 | 73% | 0.732 | 78% | 0.775 | S | S | * | * | | | trans | -127.6 | -139.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1125 | P | 46.3 | Very low | 32.1 | Very low | 114 Ų | 114 | 121.6 Ų | 121.6 | 74% | 0.74 | 77% | 0.771 | S | S | * | * | | | cis | -135.4 | -172.7 | -6.2 | 43.4 | -26.9 | 0 | 0 | 0 | 114.4 | | |
| 1126 | G | 30.9 | Very low | 31.7 | Very low | 74 Ų | 74 | 121.8 Ų | 121.8 | 76% | 0.763 | 78% | 0.778 | S | S | * | * | | | trans | 108.7 | 151.9 | 149.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 1127 | G | 28.2 | Very low | 31.4 | Very low | 78 Ų | 78 | 119 Ų | 119 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | | | trans | 117.5 | 107.2 | 163.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 1128 | T | 30.3 | Very low | 31.1 | Very low | 104 Ų | 104 | 118.2 Ų | 118.2 | 64% | 0.638 | 78% | 0.776 | S | S | * | * | | | trans | -98.2 | -171.6 | 156.8 | 60.9 | 0 | 0 | 0 | 0 | 108.3 | | |
| 1129 | P | 45.4 | Very low | 31 | Very low | 111 Ų | 111 | 115.3 Ų | 115.3 | 72% | 0.721 | 77% | 0.768 | S | S | * | * | | | cis | -139.1 | -158.6 | -2.2 | 35 | -10.7 | 0 | 0 | 0 | 114.4 | | |
| 1130 | Q | 30.5 | Very low | 31.1 | Very low | 174 Ų | 174 | 119.2 Ų | 119.2 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | | | trans | 99.1 | 76.1 | 140.4 | -157.4 | 166.5 | -17.9 | 0 | 0 | 121.4 | | |
| 1131 | A | 31.9 | Very low | 31.1 | Very low | 92 Ų | 92 | 119.7 Ų | 119.7 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | | | | 53.7 | 140.3 | 112.3 | 0 | 0 | 0 | 0 | 0 | 123.6 | | |
| 1132 | S | 28.5 | Very low | 31.1 | Very low | 105 Ų | 105 | 117.7 Ų | 117.7 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | | | | 123.6 | 135.8 | 116.8 | -151.2 | 0 | 0 | 0 | 0 | 117.3 | | |
| 1133 | R | 28.2 | Very low | 31.1 | Very low | 243 Ų | 243 | 121 Ų | 121 | 92% | 0.917 | 78% | 0.777 | S | S | * | * | | | trans | 63.9 | 142.5 | 175.2 | -53.6 | -179.5 | 178.4 | -161.7 | -2.3 | 115.4 | | |
| 1134 | G | 26.4 | Very low | 31.5 | Very low | 81 Ų | 81 | 122.3 Ų | 122.3 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | | | cis | 137.5 | 143.8 | -4.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1135 | G | 27 | Very low | 31.9 | Very low | 73 Ų | 73 | 125.8 Ų | 125.8 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | | | trans | 125.5 | 113 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 1136 | S | 26 | Very low | 31.6 | Very low | 129 Ų | 129 | 125.8 Ų | 125.8 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | | | trans | -17.9 | 139.9 | 145.9 | 50.7 | 0 | 0 | 0 | 0 | 117.6 | | |
| 1137 | G | 28.4 | Very low | 31.8 | Very low | 80 Ų | 80 | 128 Ų | 128 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | | | trans | -174.2 | 92.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 1138 | D | 27.6 | Very low | 32.1 | Very low | 148 Ų | 148 | 127.3 Ų | 127.3 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | | | trans | -69.7 | 175.9 | -178.8 | -145.2 | -36.5 | 0 | 0 | 0 | 113.5 | | |
| 1139 | T | 32.1 | Very low | 32.3 | Very low | 114 Ų | 114 | 134.7 Ų | 134.7 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | | | trans | 66.2 | 152.8 | 156.7 | 53.9 | 0 | 0 | 0 | 0 | 120.4 | | |
| 1140 | Q | 32.5 | Very low | 31.7 | Very low | 152 Ų | 152 | 132.4 Ų | 132.4 | 71% | 0.71 | 79% | 0.788 | S | S | * | * | | | cis | -172.1 | 168 | -29.5 | -147.7 | -176.1 | 37.7 | 0 | 0 | 110.4 | | |
| 1141 | Q | 33.3 | Very low | 31.9 | Very low | 160 Ų | 160 | 135.6 Ų | 135.6 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | | | trans | 62.2 | 123.2 | 156.6 | 5.4 | -177.5 | -17.9 | 0 | 0 | 125.1 | | |
| 1142 | S | 32.3 | Very low | 31.9 | Very low | 104 Ų | 104 | 134.3 Ų | 134.3 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | | 94.3 | 160.4 | 110.3 | -158.7 | 0 | 0 | 0 | 0 | 123.4 | | |
| 1143 | R | 33.7 | Very low | 32.2 | Very low | 235 Ų | 235 | 141 Ų | 141 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | | | trans | 97.3 | 89.2 | 161.4 | -54.1 | -160.6 | -177.8 | -155.6 | -0.2 | 120.5 | | |
| 1144 | V | 35.9 | Very low | 32.4 | Very low | 126 Ų | 126 | 132.9 Ų | 132.9 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | | | trans | -54.2 | 145.4 | 152.1 | 176.4 | 0 | 0 | 0 | 0 | 113.1 | V1146 | V1144-V1146 HydrophobicContact CG1-CG2 4.38Š|
| 1145 | V | 33.5 | Very low | 32.6 | Very low | 145 Ų | 145 | 134.3 Ų | 134.3 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | | | trans | -142.2 | 159.5 | 146 | 179.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 1146 | V | 40.1 | Very low | 32.9 | Very low | 113 Ų | 113 | 134.2 Ų | 134.2 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | | | trans | -134.8 | 161.8 | -165.2 | 141.9 | 0 | 0 | 0 | 0 | 112.5 | V1144 | V1144-V1146 HydrophobicContact CG1-CG2 4.38Š|
| 1147 | S | 35.8 | Very low | 33.6 | Very low | 121 Ų | 121 | 133.7 Ų | 133.7 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | | | trans | 73.9 | 151.9 | 171.3 | -69.6 | 0 | 0 | 0 | 0 | 117.6 | | |
| 1148 | G | 35.2 | Very low | 33.9 | Very low | 63 Ų | 63 | 138.9 Ų | 138.9 | 65% | 0.649 | 79% | 0.791 | S | S | * | * | | | cis | 153 | 178 | -2.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1149 | R | 32.9 | Very low | 34.1 | Very low | 260 Ų | 260 | 135.7 Ų | 135.7 | 98% | 0.981 | 79% | 0.793 | S | S | * | * | | | trans | 67.9 | 154.6 | -180 | -54.7 | 175 | 170.6 | -174.6 | -3.9 | 115.1 | | |
| 1150 | G | 34.3 | Very low | 34.2 | Very low | 62 Ų | 62 | 141.4 Ų | 141.4 | 64% | 0.639 | 80% | 0.802 | S | S | * | * | | | cis | 145.8 | 164.1 | -6.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1151 | R | 33.5 | Very low | 34.2 | Very low | 242 Ų | 242 | 137.8 Ų | 137.8 | 91% | 0.913 | 81% | 0.805 | S | S | * | * | | | trans | 75.7 | 141.7 | -170.1 | -45.8 | 173.2 | -170.1 | -89.9 | 8.6 | 113.5 | | |
| 1152 | G | 32.8 | Very low | 34.2 | Very low | 65 Ų | 65 | 138.2 Ų | 138.2 | 67% | 0.67 | 81% | 0.806 | S | S | * | * | | | cis | 117.5 | 159.9 | -10 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 1153 | R | 35.3 | Very low | 34.5 | Very low | 245 Ų | 245 | 138.4 Ų | 138.4 | 93% | 0.925 | 81% | 0.805 | S | S | * | * | | | trans | 92.1 | 133.4 | -168.3 | -57.8 | 175 | -171.6 | -83.5 | 6.9 | 113.3 | | |
| 1154 | G | 32.7 | Very low | 34.9 | Very low | 72 Ų | 72 | 134 Ų | 134 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | | | cis | 165.6 | 165.1 | -10.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 1155 | A | 29.9 | Very low | 34.9 | Very low | 112 Ų | 112 | 134 Ų | 134 | 93% | 0.926 | 80% | 0.801 | S | S | * | * | | | trans | 61.2 | 134.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 1156 | G | 32.3 | Very low | 35.2 | Very low | 70 Ų | 70 | 132.4 Ų | 132.4 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | | | cis | 118.5 | 165.5 | 16.2 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 1157 | P | 42.7 | Very low | 34.9 | Very low | 118 Ų | 118 | 138.6 Ų | 138.6 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | | | cis | -133.1 | 168 | -2.2 | 41.9 | -25.8 | 0 | 0 | 0 | 116 | | |
| 1158 | M | 32.7 | Very low | 35.4 | Very low | 189 Ų | 189 | 141.5 Ų | 141.5 | 93% | 0.931 | 80% | 0.803 | S | S | * | * | | | trans | 40.9 | 115.1 | 146.3 | -64.8 | -179.8 | 173 | 0 | 0 | 121.8 | | |
| 1159 | G | 33.7 | Very low | 35.4 | Very low | 82 Ų | 82 | 143.8 Ų | 143.8 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | | | trans | -138.9 | 18.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 1160 | R | 33.4 | Very low | 35.4 | Very low | 234 Ų | 234 | 140 Ų | 140 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | | | trans | 28.7 | 103.7 | 171.7 | -65.1 | -172.9 | -176.9 | -129.6 | 4.5 | 119.2 | | |
| 1161 | G | 32.1 | Very low | 35.6 | Very low | 75 Ų | 75 | 149 Ų | 149 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | | | trans | -140.6 | 128.4 | 152.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1162 | H | 33.2 | Very low | 35.7 | Very low | 169 Ų | 169 | 145.7 Ų | 145.7 | 78% | 0.782 | 81% | 0.812 | S | S | * | * | | | trans | -84.9 | 137.2 | -174.6 | -75.9 | -107.7 | 0 | 0 | 0 | 112.2 | | |
| 1163 | P | 39.5 | Very low | 36.2 | Very low | 108 Ų | 108 | 146.2 Ų | 146.2 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | | | trans | -86.5 | 158.6 | 160.4 | 36.1 | -33.2 | 0 | 0 | 0 | 111.3 | | |
| 1164 | L | 41.8 | Very low | 36.9 | Very low | 144 Ų | 144 | 143.7 Ų | 143.7 | 75% | 0.754 | 81% | 0.809 | S | S | * | * | | | trans | 70.5 | 155.5 | 176.6 | -48 | 176.4 | 0 | 0 | 0 | 113 | | |
| 1165 | P | 36.3 | Very low | 38.2 | Very low | 125 Ų | 125 | 149.1 Ų | 149.1 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | | | cis | -92.9 | 148.2 | 32.6 | 34.6 | -36.4 | 0 | 0 | 0 | 116.3 | R1167 | P1165-R1167 PolarHBondContact O-N 2.98Š|
| 1166 | T | 39.6 | Very low | 40.4 | Very low | 111 Ų | 111 | 150 Ų | 150 | 68% | 0.681 | 80% | 0.797 | S | S | * | * | | | trans | -39.9 | 124.6 | 153.7 | -49.9 | 0 | 0 | 0 | 0 | 112.1 | Q1168 | T1166-Q1168 HydrophobicContact CG2-CB 4.45Š|
| 1167 | R | 33.7 | Very low | 42.9 | Very low | 243 Ų | 243 | 148.1 Ų | 148.1 | 92% | 0.917 | 77% | 0.772 | S | S | * | * | | | trans | -108.9 | 106.5 | 147.8 | -145.3 | 176.5 | -161 | -96.2 | -1.8 | 109.1 | P1165 S1169 | P1165-R1167 PolarHBondContact O-N 2.98Å; R1167-S1169 PolarHBondContact O-N 2.88Å |
| 1168 | Q | 46 | Very low | 45.3 | Very low | 182 Ų | 182 | 143.8 Ų | 143.8 | 85% | 0.85 | 75% | 0.745 | S | S | * | * | | | trans | -62.9 | 98.1 | 175.1 | -176.3 | 179.5 | 15 | 0 | 0 | 108.9 | T1166 | T1166-Q1168 HydrophobicContact CG2-CB 4.45Š|
| 1169 | S | 35.1 | Very low | 48.3 | Very low | 112 Ų | 112 | 134.9 Ų | 134.9 | 78% | 0.783 | 70% | 0.701 | S | S | * | * | | | trans | -105.3 | 158 | 150.5 | -159.4 | 0 | 0 | 0 | 0 | 107.8 | R1167 | R1167-S1169 PolarHBondContact O-N 2.88Š|
| 1170 | Q | 32.3 | Very low | 51.3 | Low | 179 Ų | 179 | 131 Ų | 131 | 84% | 0.836 | 66% | 0.66 | S | S | * | * | | | trans | -64.1 | 152.9 | -175.9 | -67.2 | 173.8 | -7 | 0 | 0 | 110.9 | E1172 | Q1170-E1172 PolarHBondContact O-N 3.2Š|
| 1171 | R | 38.7 | Very low | 54.3 | Low | 251 Ų | 251 | 120 Ų | 120 | 95% | 0.947 | 62% | 0.62 | S | S | * | * | | | trans | -70.4 | 81.6 | 156.9 | -69.4 | -173.6 | -173.7 | -178.4 | 2.7 | 107.2 | A1173 | R1171-A1173 PolarHBondContact O-N 2.91Š|
| 1172 | E | 36.7 | Very low | 57.4 | Low | 174 Ų | 174 | 116.4 Ų | 116.4 | 81% | 0.813 | 58% | 0.583 | S | S | * | * | | | trans | -59.3 | 109.9 | 158.4 | -172.7 | 154.1 | -138.6 | 0 | 0 | 105.7 | Q1170 E1174 | Q1170-E1172 PolarHBondContact O-N 3.2Å; E1172-E1174 PolarHBondContact O-N 3.43Å; E1172-E1174 VanDerWaalsContact O-N 3.17Å |
| 1173 | A | 42.8 | Very low | 60.5 | Low | 76 Ų | 76 | 112.5 Ų | 112.5 | 63% | 0.628 | 57% | 0.565 | S | S | * | * | | | trans | -63.6 | 119.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 106.6 | R1171 K1175 | R1171-A1173 PolarHBondContact O-N 2.91Å; A1173-K1175 VanDerWaalsContact C-N 3.33Å; A1173-K1175 PolarHBondContact O-N 2.62Å |
| 1174 | E | 49.2 | Very low | 63.2 | Low | 192 Ų | 192 | 108.4 Ų | 108.4 | 90% | 0.897 | 54% | 0.542 | S | S | * | . | | | trans | -57.3 | 99.2 | 176.7 | -68 | 178.3 | 161.2 | 0 | 0 | 107.7 | E1172 E1176 | E1172-E1174 PolarHBondContact O-N 3.43Å; E1172-E1174 VanDerWaalsContact O-N 3.17Å; E1174-E1176 PolarHBondContact O-N 3.24Å |
| 1175 | K | 61.8 | Low | 65.8 | Low | 186 Ų | 186 | 101.6 Ų | 101.6 | 81% | 0.809 | 51% | 0.506 | S | S | * | . | | | trans | -74.1 | 102.6 | 179.8 | -74.4 | 177.4 | -177.5 | 170.4 | 0 | 106.2 | A1173 | A1173-K1175 VanDerWaalsContact C-N 3.33Å; A1173-K1175 PolarHBondContact O-N 2.62Å |
| 1176 | E | 74.4 | Confident | 68.7 | Low | 131 Ų | 131 | 96.5 Ų | 96.5 | 61% | 0.612 | 47% | 0.474 | S | S | * | . | | | trans | -34.6 | 130 | 168.5 | -72 | -75.1 | 179.8 | 0 | 0 | 110 | E1174 S1178 P1223 | E1174-E1176 PolarHBondContact O-N 3.24Å; E1176-S1178 PolarHBondContact O-N 2.88Å; E1176-P1223 HydrophobicContact CB-CB 3.58Å; E1176-P1223 HydrophobicContact CB-CG 3.85Å; E1176-P1223 WeakPolarHBondContact O-CB 3.41Å |
| 1177 | P | 85.4 | Confident | 71.2 | Confident | 30 Ų | 30 | 97.4 Ų | 97.4 | 20% | 0.195 | 48% | 0.479 | C | S | . | . | | | trans | -61 | 111.8 | -167.5 | 20.3 | -32.9 | 0 | 0 | 0 | 111.1 | A1226 L1247 | P1177-A1226 WeakPolarHBondContact O-CB 3.39Å; P1177-L1247 HydrophobicContact CB-CB 4Å; P1177-L1247 HydrophobicContact CB-CD2 4.45Å; P1177-L1247 HydrophobicContact CG-CB 3.78Å; P1177-L1247 HydrophobicContact CG-CD1 4.04Å; P1177-L1247 HydrophobicContact CG-CD2 4.32Å; P1177-L1247 HydrophobicContact CG-CG 4.26Å; P1177-L1247 WeakPolarHBondContact O-CD2 3.42Å |
| 1178 | S | 92.9 | Very high | 74.1 | Confident | 27 Ų | 27 | 89 Ų | 89 | 19% | 0.189 | 46% | 0.458 | C | S | . | . | | | trans | -88.9 | -8.8 | -179.1 | 50.7 | 0 | 0 | 0 | 0 | 113.7 | E1176 K1219 F1220 | E1176-S1178 PolarHBondContact O-N 2.88Å; S1178-K1219 WeakPolarHBondContact O-CA 3.28Å; S1178-K1219 VanDerWaalsContact OG-CE 3.3Å; S1178-K1219 WeakPolarHBondContact OG-CE 3.19Å; S1178-F1220 PolarHBondContact O-N 3.43Å |
| 1179 | T | 95.9 | Very high | 76.4 | Confident | 1 Ų | 1 | 80.8 Ų | 80.8 | 1% | 0.006 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 133 | 176.4 | -48.1 | 0 | 0 | 0 | 0 | 110.8 | I1217 A1218 K1219 T1248 | T1179-I1217 HydrophobicContact CG2-CG2 3.36Å; T1179-A1218 CarbonylContact C-O 3.55Å; T1179-A1218 WeakPolarHBondContact CA-O 3.2Å; T1179-A1218 WeakPolarHBondContact CG2-O 3.23Å; T1179-K1219 HydrophobicContact CG2-CB 4.44Å; T1179-T1248 VanDerWaalsContact CB-O 3.28Å; T1179-T1248 WeakPolarHBondContact CB-O 3.26Å; T1179-T1248 PolarHBondContact O-N 3.17Å; T1179-T1248 VanDerWaalsContact O-O 3.12Å; T1179-T1248 PolarHBondContact O-OG1 3.42Å |
| 1180 | V | 96.4 | Very high | 79.3 | Confident | 0 Ų | 0 | 78.9 Ų | 78.9 | 0% | 0 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 136.9 | 168.6 | -63.8 | 0 | 0 | 0 | 0 | 110.8 | I1182 L1198 I1217 A1218 F1220 A1226 F1229 V1245 S1246 L1247 | V1180-I1182 HydrophobicContact CG2-CG1 4.4Å; V1180-L1198 HydrophobicContact CG2-CD2 3.77Å; V1180-I1217 WeakPolarHBondContact O-CA 3.21Å; V1180-A1218 HydrophobicContact CG2-CB 4.11Å; V1180-A1218 WeakPolarHBondContact CG2-O 3.32Å; V1180-A1218 PolarHBondContact N-O 3.28Å; V1180-A1218 PolarHBondContact O-N 3.44Å; V1180-F1220 HydrophobicContact CG1-CD2 4.4Å; V1180-F1220 HydrophobicContact CG1-CE2 4.13Å; V1180-F1220 HydrophobicContact CG2-CD2 4.35Å; V1180-F1220 HydrophobicContact CG2-CE2 3.82Å; V1180-A1226 HydrophobicContact CG1-CB 3.89Å; V1180-A1226 WeakPolarHBondContact CG1-O 3.33Å; V1180-F1229 HydrophobicContact CB-CD1 4.33Å; V1180-F1229 HydrophobicContact CG1-CD1 4.15Å; V1180-F1229 HydrophobicContact CG2-CD1 3.99Å; V1180-F1229 HydrophobicContact CG2-CE1 4.24Å; V1180-V1245 HydrophobicContact CB-CG1 4.21Å; V1180-V1245 HydrophobicContact CG1-CG1 4.42Å; V1180-S1246 CarbonylContact C-O 3.43Å; V1180-S1246 WeakPolarHBondContact CA-O 3.46Å; V1180-L1247 HydrophobicContact CG1-CD2 3.93Å |
| 1181 | C | 96.9 | Very high | 82.3 | Confident | 4 Ų | 4 | 74.5 Ų | 74.5 | 3% | 0.027 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 120.8 | 169.7 | 166.9 | 0 | 0 | 0 | 0 | 108.8 | K1215 V1245 S1246 T1248 | C1181-K1215 WeakPolarHBondContact SG-CE 3.04Å; C1181-K1215 PolarHBondContact SG-NZ 2.89Å; C1181-V1245 WeakPolarHBondContact O-CA 3.39Å; C1181-S1246 WeakPolarHBondContact CB-OG 3.46Å; C1181-S1246 PolarHBondContact N-O 3.44Å; C1181-S1246 PolarHBondContact O-N 2.86Å; C1181-S1246 PolarHBondContact O-OG 3Å; C1181-S1246 VanDerWaalsContact O-OG 3.1Å; C1181-T1248 HydrophobicContact CB-CG2 3.66Å |
| 1182 | I | 97.5 | Very high | 85 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 113.9 | -177.9 | -50.9 | 175.8 | 0 | 0 | 0 | 108.2 | V1180 L1185 L1194 L1198 K1215 A1216 F1229 I1243 V1245 | V1180-I1182 HydrophobicContact CG2-CG1 4.4Å; I1182-L1185 HydrophobicContact CG2-CD2 3.93Å; I1182-L1185 HydrophobicContact CG2-CG 4.29Å; I1182-L1194 HydrophobicContact CD1-CD1 4.02Å; I1182-L1194 HydrophobicContact CD1-CD2 4.23Å; I1182-L1194 HydrophobicContact CD1-CG 4.25Å; I1182-L1198 HydrophobicContact CD1-CD1 4.43Å; I1182-L1198 HydrophobicContact CD1-CD2 4.17Å; I1182-L1198 HydrophobicContact CD1-CG 4.45Å; I1182-K1215 CarbonylContact O-C 3.53Å; I1182-K1215 VanDerWaalsContact O-CA 3.24Å; I1182-K1215 WeakPolarHBondContact O-CA 3.18Å; I1182-A1216 PolarHBondContact N-O 3.37Å; I1182-A1216 PolarHBondContact O-N 2.92Å; I1182-F1229 HydrophobicContact CD1-CE1 3.56Å; I1182-F1229 HydrophobicContact CD1-CZ 3.69Å; I1182-F1229 HydrophobicContact CG1-CE1 3.98Å; I1182-I1243 HydrophobicContact CG2-CB 3.96Å; I1182-I1243 HydrophobicContact CG2-CD1 3.82Å; I1182-I1243 HydrophobicContact CG2-CG2 4.24Å; I1182-V1245 HydrophobicContact CG1-CG1 4.46Å; I1182-V1245 HydrophobicContact CG1-CG2 4.41Å; I1182-V1245 HydrophobicContact CG2-CG2 4.37Å |
| 1183 | E | 97.4 | Very high | 87.7 | Confident | 87 Ų | 87 | 64.5 Ų | 64.5 | 41% | 0.407 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 166.1 | 177.5 | -55 | -161.4 | 160 | 0 | 0 | 111.3 | R1214 K1215 I1243 D1244 | E1183-R1214 CarbonylContact C-O 3.58Å; E1183-K1215 HydrophobicContact CG-CD 4.11Å; E1183-K1215 HydrophobicContact CG-CG 4.16Å; E1183-K1215 WeakPolarHBondContact OE1-CD 3.46Å; E1183-K1215 WeakPolarHBondContact OE1-CE 3.48Å; E1183-K1215 IonicContact OE1-NZ 2.7Å; E1183-K1215 PolarHBondContact OE1-NZ 2.79Å; E1183-I1243 CarbonylContact O-C 3.19Å; E1183-I1243 WeakPolarHBondContact O-CA 3.31Å; E1183-D1244 PolarHBondContact N-O 2.77Å; E1183-D1244 PolarHBondContact O-N 2.85Å |
| 1184 | G | 96.4 | Very high | 90.3 | Very high | 22 Ų | 22 | 60.9 Ų | 60.9 | 23% | 0.227 | 32% | 0.316 | C | S | . | . | S | Bend | trans | 83.3 | 4.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | R1214 S1241 | G1184-R1214 PolarHBondContact N-O 2.94Å; G1184-R1214 PolarHBondContact O-NH2 3.4Å; G1184-S1241 WeakPolarHBondContact O-CB 3.32Å |
| 1185 | L | 96.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | | | trans | -50.4 | 146.5 | -179.2 | -64.7 | 168.2 | 0 | 0 | 0 | 112.8 | I1182 T1189 L1194 M1209 R1214 K1215 A1216 I1243 | I1182-L1185 HydrophobicContact CG2-CD2 3.93Å; I1182-L1185 HydrophobicContact CG2-CG 4.29Å; L1185-T1189 HydrophobicContact CD2-CG2 4.2Å; L1185-L1194 HydrophobicContact CD1-CD2 3.71Å; L1185-L1194 HydrophobicContact CD2-CD1 3.93Å; L1185-L1194 HydrophobicContact CD2-CD2 3.66Å; L1185-L1194 HydrophobicContact CD2-CG 4.45Å; L1185-L1194 HydrophobicContact CG-CD2 4.37Å; L1185-M1209 HydrophobicContact CD1-CE 4.05Å; L1185-R1214 PolarHBondContact N-O 3.19Å; L1185-R1214 WeakPolarHBondContact O-CB 3.49Å; L1185-R1214 PolarHBondContact O-NE 2.85Å; L1185-R1214 PolarHBondContact O-NH2 2.87Å; L1185-R1214 VanDerWaalsContact O-NH2 3.12Å; L1185-K1215 VanDerWaalsContact CD1-C 3.48Å; L1185-A1216 HydrophobicContact CD1-CB 3.74Å; L1185-I1243 HydrophobicContact CD2-CG2 3.77Å; L1185-I1243 HydrophobicContact CG-CG2 4.41Å |
| 1186 | S | 96.2 | Very high | 94.2 | Very high | 18 Ų | 18 | 49.6 Ų | 49.6 | 13% | 0.126 | 27% | 0.267 | C | S | . | . | | | trans | -71.6 | 154.3 | 172.9 | -174.2 | 0 | 0 | 0 | 0 | 110.8 | S1188 T1189 | S1186-S1188 WeakPolarHBondContact CB-OG 3.4Å; S1186-S1188 PolarHBondContact O-N 3.31Å; S1186-S1188 PolarHBondContact OG-N 3.2Å; S1186-S1188 PolarHBondContact OG-OG 3.22Å; S1186-T1189 WeakPolarHBondContact CB-OG1 3.07Å; S1186-T1189 PolarHBondContact N-OG1 3.11Å; S1186-T1189 WeakPolarHBondContact O-CB 3.23Å; S1186-T1189 PolarHBondContact O-N 2.82Å; S1186-T1189 VanDerWaalsContact O-N 3.15Å |
| 1187 | T | 92.7 | Very high | 95.2 | Very high | 130 Ų | 130 | 45.1 Ų | 45.1 | 80% | 0.798 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69 | -11.8 | 169.1 | 53.5 | 0 | 0 | 0 | 0 | 113 | | |
| 1188 | S | 93.8 | Very high | 95.7 | Very high | 68 Ų | 68 | 43.7 Ų | 43.7 | 48% | 0.476 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -17.7 | 170.6 | 57.5 | 0 | 0 | 0 | 0 | 113.9 | S1186 T1190 D1239 | S1186-S1188 WeakPolarHBondContact CB-OG 3.4Å; S1186-S1188 PolarHBondContact O-N 3.31Å; S1186-S1188 PolarHBondContact OG-N 3.2Å; S1186-S1188 PolarHBondContact OG-OG 3.22Å; S1188-T1190 PolarHBondContact O-N 3.07Å; S1188-D1239 VanDerWaalsContact C-OD2 3.27Å; S1188-D1239 WeakPolarHBondContact OG-CB 3.46Å; S1188-D1239 VanDerWaalsContact OG-CG 3.27Å; S1188-D1239 PolarHBondContact OG-OD2 3.49Å |
| 1189 | T | 95.6 | Very high | 95.9 | Very high | 9 Ų | 9 | 47.8 Ų | 47.8 | 6% | 0.055 | 26% | 0.255 | C | S | . | . | | | trans | -70.1 | 127.3 | -170.4 | -60.5 | 0 | 0 | 0 | 0 | 109.6 | L1185 S1186 M1209 I1238 D1239 | L1185-T1189 HydrophobicContact CD2-CG2 4.2Å; S1186-T1189 WeakPolarHBondContact CB-OG1 3.07Å; S1186-T1189 PolarHBondContact N-OG1 3.11Å; S1186-T1189 WeakPolarHBondContact O-CB 3.23Å; S1186-T1189 PolarHBondContact O-N 2.82Å; S1186-T1189 VanDerWaalsContact O-N 3.15Å; T1189-M1209 WeakPolarHBondContact O-CE 3.45Å; T1189-I1238 HydrophobicContact CG2-CG2 3.78Å; T1189-D1239 WeakPolarHBondContact CA-OD2 3.24Å; T1189-D1239 WeakPolarHBondContact CB-OD2 3.09Å; T1189-D1239 PolarHBondContact N-OD2 3.28Å; T1189-D1239 PolarHBondContact OG1-OD2 3.16Å |
| 1190 | T | 95.4 | Very high | 95.9 | Very high | 71 Ų | 71 | 51.6 Ų | 51.6 | 44% | 0.436 | 28% | 0.282 | S | S | . | . | | | trans | -91.5 | 150.5 | -178 | 63.2 | 0 | 0 | 0 | 0 | 111.2 | S1188 F1192 Q1193 L1194 | S1188-T1190 PolarHBondContact O-N 3.07Å; T1190-F1192 PolarHBondContact O-N 3.26Å; T1190-Q1193 WeakPolarHBondContact O-CB 3.44Å; T1190-Q1193 PolarHBondContact O-N 3.02Å; T1190-Q1193 WeakPolarHBondContact OG1-CB 3.37Å; T1190-Q1193 PolarHBondContact OG1-N 2.86Å; T1190-L1194 PolarHBondContact O-N 3.42Å; T1190-L1194 VanDerWaalsContact O-N 3.08Å |
| 1191 | E | 95.1 | Very high | 95.9 | Very high | 87 Ų | 87 | 53.9 Ų | 53.9 | 41% | 0.407 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -56.2 | -40.2 | 172.5 | 159.6 | 156.7 | -171.4 | 0 | 0 | 111.9 | L1194 K1195 F1207 M1209 | E1191-L1194 PolarHBondContact O-N 3.2Å; E1191-K1195 HydrophobicContact CG-CD 3.87Å; E1191-K1195 HydrophobicContact CG-CG 4.38Å; E1191-K1195 VanDerWaalsContact O-CB 3.3Å; E1191-K1195 WeakPolarHBondContact O-CB 3.22Å; E1191-K1195 WeakPolarHBondContact O-CG 3.39Å; E1191-K1195 PolarHBondContact O-N 2.95Å; E1191-K1195 WeakPolarHBondContact OE1-CE 3.36Å; E1191-K1195 IonicContact OE1-NZ 3.62Å; E1191-K1195 PolarHBondContact OE1-NZ 3.38Å; E1191-F1207 HydrophobicContact CB-CE1 4.06Å; E1191-F1207 HydrophobicContact CG-CD1 4.1Å; E1191-F1207 HydrophobicContact CG-CE1 3.48Å; E1191-F1207 VanDerWaalsContact CG-CE1 3.48Å; E1191-F1207 HydrophobicContact CG-CZ 4.26Å; E1191-F1207 WeakPolarHBondContact OE1-CD1 3.3Å; E1191-M1209 HydrophobicContact CB-SD 4.12Å |
| 1192 | F | 95.1 | Very high | 95.8 | Very high | 148 Ų | 148 | 54.2 Ų | 54.2 | 65% | 0.649 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -61.8 | -46.1 | 176.5 | -178.4 | -113.4 | 0 | 0 | 0 | 112.5 | T1190 L1194 K1195 N1196 | T1190-F1192 PolarHBondContact O-N 3.26Å; F1192-L1194 VanDerWaalsContact C-N 3.33Å; F1192-L1194 PolarHBondContact O-N 2.84Å; F1192-K1195 PolarHBondContact O-N 2.82Å; F1192-N1196 WeakPolarHBondContact CD1-ND2 3.23Å; F1192-N1196 WeakPolarHBondContact CE1-ND2 3.41Å; F1192-N1196 WeakPolarHBondContact CE2-ND2 3.48Å; F1192-N1196 WeakPolarHBondContact CZ-ND2 3.45Å; F1192-N1196 WeakPolarHBondContact O-CB 3.24Å; F1192-N1196 PolarHBondContact O-N 3.33Å; F1192-N1196 PolarHBondContact O-ND2 2.94Å |
| 1193 | Q | 94.8 | Very high | 95.7 | Very high | 68 Ų | 68 | 57.9 Ų | 57.9 | 32% | 0.318 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.6 | -42.7 | 176.3 | 178.6 | -174.9 | 15.2 | 0 | 0 | 112 | T1190 L1197 D1239 | T1190-Q1193 WeakPolarHBondContact O-CB 3.44Å; T1190-Q1193 PolarHBondContact O-N 3.02Å; T1190-Q1193 WeakPolarHBondContact OG1-CB 3.37Å; T1190-Q1193 PolarHBondContact OG1-N 2.86Å; Q1193-L1197 PolarHBondContact O-N 3.08Å; Q1193-L1197 VanDerWaalsContact O-N 3.13Å; Q1193-D1239 PolarHBondContact NE2-OD1 2.86Å |
| 1194 | L | 96.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -76 | -37.9 | -179 | -164.2 | 62.7 | 0 | 0 | 0 | 112.5 | I1182 L1185 T1190 E1191 F1192 L1197 L1198 F1207 A1216 I1238 | I1182-L1194 HydrophobicContact CD1-CD1 4.02Å; I1182-L1194 HydrophobicContact CD1-CD2 4.23Å; I1182-L1194 HydrophobicContact CD1-CG 4.25Å; L1185-L1194 HydrophobicContact CD1-CD2 3.71Å; L1185-L1194 HydrophobicContact CD2-CD1 3.93Å; L1185-L1194 HydrophobicContact CD2-CD2 3.66Å; L1185-L1194 HydrophobicContact CD2-CG 4.45Å; L1185-L1194 HydrophobicContact CG-CD2 4.37Å; T1190-L1194 PolarHBondContact O-N 3.42Å; T1190-L1194 VanDerWaalsContact O-N 3.08Å; E1191-L1194 PolarHBondContact O-N 3.2Å; F1192-L1194 VanDerWaalsContact C-N 3.33Å; F1192-L1194 PolarHBondContact O-N 2.84Å; L1194-L1197 HydrophobicContact CD1-CD2 4.48Å; L1194-L1197 PolarHBondContact O-N 3.21Å; L1194-L1198 HydrophobicContact CG-CD1 4.49Å; L1194-L1198 WeakPolarHBondContact O-CD1 3.16Å; L1194-L1198 WeakPolarHBondContact O-CG 3.46Å; L1194-L1198 PolarHBondContact O-N 3.43Å; L1194-F1207 HydrophobicContact CB-CE2 4.17Å; L1194-F1207 HydrophobicContact CB-CZ 4.14Å; L1194-F1207 HydrophobicContact CD2-CE2 3.91Å; L1194-F1207 HydrophobicContact CD2-CZ 3.98Å; L1194-F1207 HydrophobicContact CG-CE2 3.99Å; L1194-F1207 HydrophobicContact CG-CZ 4.3Å; L1194-A1216 HydrophobicContact CD2-CB 3.51Å; L1194-I1238 HydrophobicContact CD1-CD1 3.76Å |
| 1195 | K | 95.8 | Very high | 95.6 | Very high | 70 Ų | 70 | 59.7 Ų | 59.7 | 30% | 0.304 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.2 | -47.8 | 170.2 | -83.8 | 177 | 162 | 166.1 | 0 | 111.4 | E1191 F1192 L1197 L1198 M1199 I1204 F1207 | E1191-K1195 HydrophobicContact CG-CD 3.87Å; E1191-K1195 HydrophobicContact CG-CG 4.38Å; E1191-K1195 VanDerWaalsContact O-CB 3.3Å; E1191-K1195 WeakPolarHBondContact O-CB 3.22Å; E1191-K1195 WeakPolarHBondContact O-CG 3.39Å; E1191-K1195 PolarHBondContact O-N 2.95Å; E1191-K1195 WeakPolarHBondContact OE1-CE 3.36Å; E1191-K1195 IonicContact OE1-NZ 3.62Å; E1191-K1195 PolarHBondContact OE1-NZ 3.38Å; F1192-K1195 PolarHBondContact O-N 2.82Å; K1195-L1197 VanDerWaalsContact C-N 3.3Å; K1195-L1197 PolarHBondContact O-N 3.04Å; K1195-L1198 PolarHBondContact O-N 2.68Å; K1195-M1199 WeakPolarHBondContact O-CB 3.47Å; K1195-M1199 VanDerWaalsContact O-CG 3.25Å; K1195-M1199 WeakPolarHBondContact O-CG 3.33Å; K1195-M1199 PolarHBondContact O-N 2.98Å; K1195-I1204 HydrophobicContact CG-CD1 4.36Å; K1195-F1207 HydrophobicContact CD-CD1 4.16Å; K1195-F1207 HydrophobicContact CD-CG 4.35Å; K1195-F1207 VanDerWaalsContact CE-CD1 3.45Å; K1195-F1207 HydrophobicContact CG-CB 4.31Å; K1195-F1207 HydrophobicContact CG-CD1 3.91Å; K1195-F1207 HydrophobicContact CG-CD2 3.89Å; K1195-F1207 HydrophobicContact CG-CE1 4.14Å; K1195-F1207 HydrophobicContact CG-CE2 4.14Å; K1195-F1207 HydrophobicContact CG-CG 3.76Å; K1195-F1207 HydrophobicContact CG-CZ 4.25Å |
| 1196 | N | 96.6 | Very high | 95.4 | Very high | 70 Ų | 70 | 63.8 Ų | 63.8 | 37% | 0.374 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.4 | -38.2 | 177.1 | -69.2 | -21.8 | 0 | 0 | 0 | 112.2 | F1192 M1199 S1200 | F1192-N1196 WeakPolarHBondContact CD1-ND2 3.23Å; F1192-N1196 WeakPolarHBondContact CE1-ND2 3.41Å; F1192-N1196 WeakPolarHBondContact CE2-ND2 3.48Å; F1192-N1196 WeakPolarHBondContact CZ-ND2 3.45Å; F1192-N1196 WeakPolarHBondContact O-CB 3.24Å; F1192-N1196 PolarHBondContact O-N 3.33Å; F1192-N1196 PolarHBondContact O-ND2 2.94Å; N1196-M1199 PolarHBondContact O-N 3.46Å; N1196-S1200 PolarHBondContact O-N 3.22Å |
| 1197 | L | 96.1 | Very high | 95.5 | Very high | 37 Ų | 37 | 64.4 Ų | 64.4 | 19% | 0.194 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.4 | -44 | 176.8 | -165.6 | 70 | 0 | 0 | 0 | 111.9 | Q1193 L1194 K1195 S1200 F1229 F1233 I1238 | Q1193-L1197 PolarHBondContact O-N 3.08Å; Q1193-L1197 VanDerWaalsContact O-N 3.13Å; L1194-L1197 HydrophobicContact CD1-CD2 4.48Å; L1194-L1197 PolarHBondContact O-N 3.21Å; K1195-L1197 VanDerWaalsContact C-N 3.3Å; K1195-L1197 PolarHBondContact O-N 3.04Å; L1197-S1200 PolarHBondContact O-N 2.87Å; L1197-S1200 PolarHBondContact O-OG 3.43Å; L1197-F1229 HydrophobicContact CD2-CE2 4.4Å; L1197-F1229 HydrophobicContact CD2-CZ 4.47Å; L1197-F1229 HydrophobicContact CG-CE2 4.19Å; L1197-F1233 HydrophobicContact CD1-CD1 4.28Å; L1197-F1233 HydrophobicContact CD1-CE1 3.58Å; L1197-F1233 HydrophobicContact CD1-CZ 3.74Å; L1197-F1233 HydrophobicContact CD2-CD1 3.97Å; L1197-F1233 HydrophobicContact CD2-CE1 4.12Å; L1197-F1233 HydrophobicContact CD2-CG 4.41Å; L1197-F1233 HydrophobicContact CG-CD1 4.28Å; L1197-F1233 HydrophobicContact CG-CE1 4Å; L1197-F1233 HydrophobicContact CG-CE2 4.49Å; L1197-F1233 HydrophobicContact CG-CZ 4.11Å; L1197-I1238 HydrophobicContact CD2-CD1 3.48Å; L1197-I1238 VanDerWaalsContact CD2-CD1 3.48Å; L1197-I1238 HydrophobicContact CD2-CG1 4.29Å |
| 1198 | L | 96.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.8 | -50.7 | 173.9 | -74.5 | 157.4 | 0 | 0 | 0 | 111.6 | V1180 I1182 L1194 K1195 S1200 I1201 G1202 I1204 F1207 A1218 F1220 F1229 | V1180-L1198 HydrophobicContact CG2-CD2 3.77Å; I1182-L1198 HydrophobicContact CD1-CD1 4.43Å; I1182-L1198 HydrophobicContact CD1-CD2 4.17Å; I1182-L1198 HydrophobicContact CD1-CG 4.45Å; L1194-L1198 HydrophobicContact CG-CD1 4.49Å; L1194-L1198 WeakPolarHBondContact O-CD1 3.16Å; L1194-L1198 WeakPolarHBondContact O-CG 3.46Å; L1194-L1198 PolarHBondContact O-N 3.43Å; K1195-L1198 PolarHBondContact O-N 2.68Å; L1198-S1200 PolarHBondContact O-N 2.93Å; L1198-S1200 VanDerWaalsContact O-N 3.14Å; L1198-I1201 PolarHBondContact O-N 3.16Å; L1198-G1202 PolarHBondContact O-N 3.03Å; L1198-I1204 HydrophobicContact CB-CD1 4.12Å; L1198-I1204 HydrophobicContact CB-CG2 4.07Å; L1198-I1204 HydrophobicContact CD1-CD1 4.35Å; L1198-F1207 HydrophobicContact CD1-CD2 3.47Å; L1198-F1207 VanDerWaalsContact CD1-CD2 3.47Å; L1198-F1207 HydrophobicContact CD1-CE2 3.6Å; L1198-A1218 HydrophobicContact CD1-CB 3.44Å; L1198-A1218 VanDerWaalsContact CD1-CB 3.44Å; L1198-A1218 HydrophobicContact CD2-CB 3.84Å; L1198-A1218 HydrophobicContact CG-CB 4.3Å; L1198-F1220 HydrophobicContact CB-CZ 4.2Å; L1198-F1220 HydrophobicContact CD2-CE2 3.63Å; L1198-F1220 HydrophobicContact CD2-CZ 3.5Å; L1198-F1220 HydrophobicContact CG-CZ 4.48Å; L1198-F1220 WeakPolarHBondContact O-CE1 3.36Å; L1198-F1229 HydrophobicContact CB-CE2 4.47Å; L1198-F1229 HydrophobicContact CD2-CD1 4.06Å; L1198-F1229 HydrophobicContact CD2-CD2 3.93Å; L1198-F1229 HydrophobicContact CD2-CE1 3.84Å; L1198-F1229 HydrophobicContact CD2-CE2 3.7Å; L1198-F1229 HydrophobicContact CD2-CG 4.12Å; L1198-F1229 HydrophobicContact CD2-CZ 3.67Å; L1198-F1229 HydrophobicContact CG-CE2 3.96Å; L1198-F1229 HydrophobicContact CG-CZ 4.06Å |
| 1199 | M | 96.3 | Very high | 95.8 | Very high | 114 Ų | 114 | 62.3 Ų | 62.3 | 56% | 0.562 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -61.9 | -21.8 | 179.9 | -70.3 | 174.8 | 70.2 | 0 | 0 | 113.1 | K1195 N1196 I1201 G1202 I1204 | K1195-M1199 WeakPolarHBondContact O-CB 3.47Å; K1195-M1199 VanDerWaalsContact O-CG 3.25Å; K1195-M1199 WeakPolarHBondContact O-CG 3.33Å; K1195-M1199 PolarHBondContact O-N 2.98Å; N1196-M1199 PolarHBondContact O-N 3.46Å; M1199-I1201 PolarHBondContact O-N 3.02Å; M1199-G1202 WeakPolarHBondContact CA-O 3.44Å; M1199-G1202 PolarHBondContact O-N 3.35Å; M1199-I1204 HydrophobicContact CG-CD1 3.92Å; M1199-I1204 HydrophobicContact CG-CG1 3.96Å; M1199-I1204 HydrophobicContact SD-CD1 4.5Å |
| 1200 | S | 96 | Very high | 95.8 | Very high | 81 Ų | 81 | 63.6 Ų | 63.6 | 57% | 0.566 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -18.6 | 173.2 | 79.4 | 0 | 0 | 0 | 0 | 114.4 | N1196 L1197 L1198 | N1196-S1200 PolarHBondContact O-N 3.22Å; L1197-S1200 PolarHBondContact O-N 2.87Å; L1197-S1200 PolarHBondContact O-OG 3.43Å; L1198-S1200 PolarHBondContact O-N 2.93Å; L1198-S1200 VanDerWaalsContact O-N 3.14Å |
| 1201 | I | 96.3 | Very high | 95.6 | Very high | 47 Ų | 47 | 64.1 Ų | 64.1 | 24% | 0.241 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -29.1 | 171.2 | -62.1 | -62.5 | 0 | 0 | 0 | 111.8 | L1198 M1199 F1220 H1225 F1229 F1233 | L1198-I1201 PolarHBondContact O-N 3.16Å; M1199-I1201 PolarHBondContact O-N 3.02Å; I1201-F1220 HydrophobicContact CB-CE1 4.34Å; I1201-F1220 HydrophobicContact CB-CZ 4.5Å; I1201-F1220 HydrophobicContact CG2-CE1 4.49Å; I1201-H1225 HydrophobicContact CG2-CB 4.03Å; I1201-H1225 VanDerWaalsContact CG2-O 3.3Å; I1201-H1225 WeakPolarHBondContact CG2-O 3.36Å; I1201-F1229 HydrophobicContact CB-CB 4.39Å; I1201-F1229 HydrophobicContact CB-CD2 4.42Å; I1201-F1229 HydrophobicContact CG1-CB 4.27Å; I1201-F1229 HydrophobicContact CG1-CD2 3.94Å; I1201-F1229 HydrophobicContact CG2-CB 4.19Å; I1201-F1233 HydrophobicContact CD1-CE2 3.93Å; I1201-F1233 HydrophobicContact CG1-CD2 4.37Å; I1201-F1233 HydrophobicContact CG1-CE2 3.71Å |
| 1202 | G | 94.3 | Very high | 95.5 | Very high | 11 Ų | 11 | 69.4 Ų | 69.4 | 11% | 0.113 | 35% | 0.353 | C | S | . | . | | | trans | 162.9 | 178.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L1198 M1199 | L1198-G1202 PolarHBondContact O-N 3.03Å; M1199-G1202 WeakPolarHBondContact CA-O 3.44Å; M1199-G1202 PolarHBondContact O-N 3.35Å |
| 1203 | P | 95.9 | Very high | 95.5 | Very high | 77 Ų | 77 | 68.5 Ų | 68.5 | 50% | 0.5 | 35% | 0.35 | S | S | . | . | | | trans | -59.7 | 138 | -178.5 | 23.8 | -34.8 | 0 | 0 | 0 | 112.8 | F1220 S1221 | P1203-F1220 WeakPolarHBondContact O-CA 3.32Å; P1203-S1221 PolarHBondContact O-N 3.15Å |
| 1204 | I | 95.9 | Very high | 95.6 | Very high | 36 Ų | 36 | 70.5 Ų | 70.5 | 19% | 0.185 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 131.9 | 176 | 53.9 | -179.4 | 0 | 0 | 0 | 110.4 | K1195 L1198 M1199 F1207 K1219 F1220 | K1195-I1204 HydrophobicContact CG-CD1 4.36Å; L1198-I1204 HydrophobicContact CB-CD1 4.12Å; L1198-I1204 HydrophobicContact CB-CG2 4.07Å; L1198-I1204 HydrophobicContact CD1-CD1 4.35Å; M1199-I1204 HydrophobicContact CG-CD1 3.92Å; M1199-I1204 HydrophobicContact CG-CG1 3.96Å; M1199-I1204 HydrophobicContact SD-CD1 4.5Å; I1204-F1207 HydrophobicContact CD1-CB 4.31Å; I1204-K1219 CarbonylContact C-O 3.02Å; I1204-K1219 WeakPolarHBondContact CA-O 3.5Å; I1204-K1219 WeakPolarHBondContact CB-O 3.37Å; I1204-F1220 HydrophobicContact CG2-CD1 3.6Å; I1204-F1220 HydrophobicContact CG2-CD2 4.44Å; I1204-F1220 HydrophobicContact CG2-CE1 3.68Å; I1204-F1220 HydrophobicContact CG2-CG 4.03Å; I1204-F1220 HydrophobicContact CG2-CZ 4.16Å |
| 1205 | E | 95.1 | Very high | 95.6 | Very high | 112 Ų | 112 | 72.6 Ų | 72.6 | 52% | 0.523 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | -33.8 | 176.4 | -57.2 | -177.5 | 167 | 0 | 0 | 111.8 | K1219 S1221 | E1205-K1219 PolarHBondContact N-O 2.99Å; E1205-K1219 WeakPolarHBondContact OE2-CD 3.5Å; E1205-K1219 VanDerWaalsContact OE2-CE 3.3Å; E1205-K1219 WeakPolarHBondContact OE2-CE 3.46Å; E1205-K1219 IonicContact OE2-NZ 2.81Å; E1205-K1219 PolarHBondContact OE2-NZ 2.79Å; E1205-S1221 VanDerWaalsContact CG-OG 3.29Å; E1205-S1221 WeakPolarHBondContact CG-OG 3.48Å |
| 1206 | M | 94.3 | Very high | 95.7 | Very high | 86 Ų | 86 | 69.2 Ų | 69.2 | 42% | 0.424 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 142.3 | -175.4 | 178.1 | 178.4 | 57.2 | 0 | 0 | 109.8 | A1218 K1219 | M1206-A1218 CarbonylContact O-C 3.6Å; M1206-A1218 VanDerWaalsContact O-CA 3.25Å; M1206-A1218 WeakPolarHBondContact O-CA 3.5Å; M1206-K1219 HydrophobicContact CB-CB 4.02Å; M1206-K1219 HydrophobicContact CE-CB 3.99Å; M1206-K1219 PolarHBondContact N-O 3.33Å; M1206-K1219 PolarHBondContact O-N 3.44Å |
| 1207 | F | 96.6 | Very high | 95.7 | Very high | 30 Ų | 30 | 67.8 Ų | 67.8 | 13% | 0.132 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 135.2 | 167.8 | 176.7 | -87.6 | 0 | 0 | 0 | 109.7 | E1191 L1194 K1195 L1198 I1204 M1209 A1216 A1218 | E1191-F1207 HydrophobicContact CB-CE1 4.06Å; E1191-F1207 HydrophobicContact CG-CD1 4.1Å; E1191-F1207 HydrophobicContact CG-CE1 3.48Å; E1191-F1207 VanDerWaalsContact CG-CE1 3.48Å; E1191-F1207 HydrophobicContact CG-CZ 4.26Å; E1191-F1207 WeakPolarHBondContact OE1-CD1 3.3Å; L1194-F1207 HydrophobicContact CB-CE2 4.17Å; L1194-F1207 HydrophobicContact CB-CZ 4.14Å; L1194-F1207 HydrophobicContact CD2-CE2 3.91Å; L1194-F1207 HydrophobicContact CD2-CZ 3.98Å; L1194-F1207 HydrophobicContact CG-CE2 3.99Å; L1194-F1207 HydrophobicContact CG-CZ 4.3Å; K1195-F1207 HydrophobicContact CD-CD1 4.16Å; K1195-F1207 HydrophobicContact CD-CG 4.35Å; K1195-F1207 VanDerWaalsContact CE-CD1 3.45Å; K1195-F1207 HydrophobicContact CG-CB 4.31Å; K1195-F1207 HydrophobicContact CG-CD1 3.91Å; K1195-F1207 HydrophobicContact CG-CD2 3.89Å; K1195-F1207 HydrophobicContact CG-CE1 4.14Å; K1195-F1207 HydrophobicContact CG-CE2 4.14Å; K1195-F1207 HydrophobicContact CG-CG 3.76Å; K1195-F1207 HydrophobicContact CG-CZ 4.25Å; L1198-F1207 HydrophobicContact CD1-CD2 3.47Å; L1198-F1207 VanDerWaalsContact CD1-CD2 3.47Å; L1198-F1207 HydrophobicContact CD1-CE2 3.6Å; I1204-F1207 HydrophobicContact CD1-CB 4.31Å; F1207-M1209 HydrophobicContact CE1-CB 3.64Å; F1207-M1209 HydrophobicContact CZ-CB 3.87Å; F1207-A1216 HydrophobicContact CE2-CB 4.3Å; F1207-A1216 HydrophobicContact CZ-CB 4.34Å; F1207-A1218 HydrophobicContact CD2-CB 3.98Å |
| 1208 | K | 96.9 | Very high | 95.8 | Very high | 127 Ų | 127 | 66 Ų | 66 | 55% | 0.552 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 106.2 | 175.8 | -177.6 | 174.7 | -178.7 | 173.8 | 0 | 109.9 | M1210 A1216 I1217 | K1208-M1210 HydrophobicContact CG-CG 4.38Å; K1208-A1216 CarbonylContact O-C 3.57Å; K1208-A1216 VanDerWaalsContact O-CA 3.31Å; K1208-A1216 WeakPolarHBondContact O-CA 3.29Å; K1208-I1217 PolarHBondContact N-O 3.18Å; K1208-I1217 PolarHBondContact O-N 3.48Å |
| 1209 | M | 95.9 | Very high | 95.7 | Very high | 28 Ų | 28 | 69 Ų | 69 | 14% | 0.138 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 144.6 | 170 | -165.2 | 164.1 | 178.1 | 0 | 0 | 110.8 | L1185 T1189 E1191 F1207 P1211 A1216 | L1185-M1209 HydrophobicContact CD1-CE 4.05Å; T1189-M1209 WeakPolarHBondContact O-CE 3.45Å; E1191-M1209 HydrophobicContact CB-SD 4.12Å; F1207-M1209 HydrophobicContact CE1-CB 3.64Å; F1207-M1209 HydrophobicContact CZ-CB 3.87Å; M1209-P1211 HydrophobicContact CE-CG 4.29Å; M1209-P1211 HydrophobicContact CG-CG 3.98Å; M1209-P1211 HydrophobicContact SD-CG 4.43Å; M1209-A1216 HydrophobicContact CB-CB 4.46Å; M1209-A1216 HydrophobicContact CG-CB 4.37Å |
| 1210 | M | 96 | Very high | 95.7 | Very high | 36 Ų | 36 | 63.6 Ų | 63.6 | 18% | 0.177 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 75.1 | 176 | -62 | -174.4 | -66.9 | 0 | 0 | 108.4 | K1208 Q1212 Q1213 R1214 K1215 I1217 | K1208-M1210 HydrophobicContact CG-CG 4.38Å; M1210-Q1212 PolarHBondContact O-N 3.23Å; M1210-Q1213 HydrophobicContact CB-CB 4.19Å; M1210-Q1213 HydrophobicContact CB-CG 4.39Å; M1210-Q1213 CarbonylContact O-C 3.57Å; M1210-Q1213 WeakPolarHBondContact O-CA 3.46Å; M1210-Q1213 PolarHBondContact O-N 3.08Å; M1210-R1214 PolarHBondContact O-N 3.09Å; M1210-K1215 CarbonylContact C-O 3.48Å; M1210-K1215 WeakPolarHBondContact CA-O 3.38Å; M1210-K1215 HydrophobicContact CE-CB 4.32Å; M1210-K1215 HydrophobicContact CE-CD 3.86Å; M1210-K1215 HydrophobicContact CE-CG 3.82Å; M1210-K1215 PolarHBondContact N-O 3.39Å; M1210-K1215 PolarHBondContact O-N 2.84Å; M1210-I1217 HydrophobicContact CE-CD1 3.89Å; M1210-I1217 HydrophobicContact CE-CG1 4.17Å |
| 1211 | P | 92.1 | Very high | 95.7 | Very high | 81 Ų | 81 | 62.7 Ų | 62.7 | 53% | 0.526 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -57.8 | -35.8 | -171 | -24.8 | 34 | 0 | 0 | 0 | 113.5 | M1209 Q1213 R1214 | M1209-P1211 HydrophobicContact CE-CG 4.29Å; M1209-P1211 HydrophobicContact CG-CG 3.98Å; M1209-P1211 HydrophobicContact SD-CG 4.43Å; P1211-Q1213 PolarHBondContact O-N 3.1Å; P1211-R1214 PolarHBondContact O-N 2.92Å |
| 1212 | Q | 91.9 | Very high | 95.5 | Very high | 199 Ų | 199 | 63.5 Ų | 63.5 | 93% | 0.93 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -60.3 | -30 | 175.8 | -62.2 | -179.5 | 3.7 | 0 | 0 | 113.2 | M1210 | M1210-Q1212 PolarHBondContact O-N 3.23Š|
| 1213 | Q | 95.8 | Very high | 95.5 | Very high | 128 Ų | 128 | 65 Ų | 65 | 60% | 0.598 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -94.1 | -1.6 | 176.3 | -62.2 | -177.4 | 4.9 | 0 | 0 | 112.6 | M1210 P1211 K1215 | M1210-Q1213 HydrophobicContact CB-CB 4.19Å; M1210-Q1213 HydrophobicContact CB-CG 4.39Å; M1210-Q1213 CarbonylContact O-C 3.57Å; M1210-Q1213 WeakPolarHBondContact O-CA 3.46Å; M1210-Q1213 PolarHBondContact O-N 3.08Å; P1211-Q1213 PolarHBondContact O-N 3.1Å; Q1213-K1215 HydrophobicContact CB-CB 3.93Å; Q1213-K1215 PolarHBondContact O-N 2.91Å |
| 1214 | R | 96.6 | Very high | 95.4 | Very high | 110 Ų | 110 | 67.1 Ų | 67.1 | 42% | 0.415 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 35.6 | -169.7 | -60.6 | -178.1 | 61.5 | -161.6 | -6.4 | 112.7 | E1183 G1184 L1185 M1210 P1211 | E1183-R1214 CarbonylContact C-O 3.58Å; G1184-R1214 PolarHBondContact N-O 2.94Å; G1184-R1214 PolarHBondContact O-NH2 3.4Å; L1185-R1214 PolarHBondContact N-O 3.19Å; L1185-R1214 WeakPolarHBondContact O-CB 3.49Å; L1185-R1214 PolarHBondContact O-NE 2.85Å; L1185-R1214 PolarHBondContact O-NH2 2.87Å; L1185-R1214 VanDerWaalsContact O-NH2 3.12Å; M1210-R1214 PolarHBondContact O-N 3.09Å; P1211-R1214 PolarHBondContact O-N 2.92Å |
| 1215 | K | 97 | Very high | 95.4 | Very high | 44 Ų | 44 | 67.7 Ų | 67.7 | 19% | 0.191 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 151.9 | -170.3 | 178.7 | 167.7 | 178.3 | 144.9 | 0 | 111.2 | C1181 I1182 E1183 L1185 M1210 Q1213 | C1181-K1215 WeakPolarHBondContact SG-CE 3.04Å; C1181-K1215 PolarHBondContact SG-NZ 2.89Å; I1182-K1215 CarbonylContact O-C 3.53Å; I1182-K1215 VanDerWaalsContact O-CA 3.24Å; I1182-K1215 WeakPolarHBondContact O-CA 3.18Å; E1183-K1215 HydrophobicContact CG-CD 4.11Å; E1183-K1215 HydrophobicContact CG-CG 4.16Å; E1183-K1215 WeakPolarHBondContact OE1-CD 3.46Å; E1183-K1215 WeakPolarHBondContact OE1-CE 3.48Å; E1183-K1215 IonicContact OE1-NZ 2.7Å; E1183-K1215 PolarHBondContact OE1-NZ 2.79Å; L1185-K1215 VanDerWaalsContact CD1-C 3.48Å; M1210-K1215 CarbonylContact C-O 3.48Å; M1210-K1215 WeakPolarHBondContact CA-O 3.38Å; M1210-K1215 HydrophobicContact CE-CB 4.32Å; M1210-K1215 HydrophobicContact CE-CD 3.86Å; M1210-K1215 HydrophobicContact CE-CG 3.82Å; M1210-K1215 PolarHBondContact N-O 3.39Å; M1210-K1215 PolarHBondContact O-N 2.84Å; Q1213-K1215 HydrophobicContact CB-CB 3.93Å; Q1213-K1215 PolarHBondContact O-N 2.91Å |
| 1216 | A | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 156.4 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | I1182 L1185 L1194 F1207 K1208 M1209 | I1182-A1216 PolarHBondContact N-O 3.37Å; I1182-A1216 PolarHBondContact O-N 2.92Å; L1185-A1216 HydrophobicContact CD1-CB 3.74Å; L1194-A1216 HydrophobicContact CD2-CB 3.51Å; F1207-A1216 HydrophobicContact CE2-CB 4.3Å; F1207-A1216 HydrophobicContact CZ-CB 4.34Å; K1208-A1216 CarbonylContact O-C 3.57Å; K1208-A1216 VanDerWaalsContact O-CA 3.31Å; K1208-A1216 WeakPolarHBondContact O-CA 3.29Å; M1209-A1216 HydrophobicContact CB-CB 4.46Å; M1209-A1216 HydrophobicContact CG-CB 4.37Å |
| 1217 | I | 96.9 | Very high | 95.4 | Very high | 40 Ų | 40 | 59.6 Ų | 59.6 | 21% | 0.205 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 132.3 | 174 | -58.7 | 175.2 | 0 | 0 | 0 | 106.9 | T1179 V1180 K1208 M1210 | T1179-I1217 HydrophobicContact CG2-CG2 3.36Å; V1180-I1217 WeakPolarHBondContact O-CA 3.21Å; K1208-I1217 PolarHBondContact N-O 3.18Å; K1208-I1217 PolarHBondContact O-N 3.48Å; M1210-I1217 HydrophobicContact CE-CD1 3.89Å; M1210-I1217 HydrophobicContact CE-CG1 4.17Å |
| 1218 | A | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 137.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | T1179 V1180 L1198 M1206 F1207 | T1179-A1218 CarbonylContact C-O 3.55Å; T1179-A1218 WeakPolarHBondContact CA-O 3.2Å; T1179-A1218 WeakPolarHBondContact CG2-O 3.23Å; V1180-A1218 HydrophobicContact CG2-CB 4.11Å; V1180-A1218 WeakPolarHBondContact CG2-O 3.32Å; V1180-A1218 PolarHBondContact N-O 3.28Å; V1180-A1218 PolarHBondContact O-N 3.44Å; L1198-A1218 HydrophobicContact CD1-CB 3.44Å; L1198-A1218 VanDerWaalsContact CD1-CB 3.44Å; L1198-A1218 HydrophobicContact CD2-CB 3.84Å; L1198-A1218 HydrophobicContact CG-CB 4.3Å; M1206-A1218 CarbonylContact O-C 3.6Å; M1206-A1218 VanDerWaalsContact O-CA 3.25Å; M1206-A1218 WeakPolarHBondContact O-CA 3.5Å; F1207-A1218 HydrophobicContact CD2-CB 3.98Å |
| 1219 | K | 96.1 | Very high | 95.4 | Very high | 63 Ų | 63 | 54.3 Ų | 54.3 | 27% | 0.274 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 125.4 | 178.3 | -170.2 | -174.1 | 175.9 | -145.1 | 0 | 110.1 | S1178 T1179 I1204 E1205 M1206 | S1178-K1219 WeakPolarHBondContact O-CA 3.28Å; S1178-K1219 VanDerWaalsContact OG-CE 3.3Å; S1178-K1219 WeakPolarHBondContact OG-CE 3.19Å; T1179-K1219 HydrophobicContact CG2-CB 4.44Å; I1204-K1219 CarbonylContact C-O 3.02Å; I1204-K1219 WeakPolarHBondContact CA-O 3.5Å; I1204-K1219 WeakPolarHBondContact CB-O 3.37Å; E1205-K1219 PolarHBondContact N-O 2.99Å; E1205-K1219 WeakPolarHBondContact OE2-CD 3.5Å; E1205-K1219 VanDerWaalsContact OE2-CE 3.3Å; E1205-K1219 WeakPolarHBondContact OE2-CE 3.46Å; E1205-K1219 IonicContact OE2-NZ 2.81Å; E1205-K1219 PolarHBondContact OE2-NZ 2.79Å; M1206-K1219 HydrophobicContact CB-CB 4.02Å; M1206-K1219 HydrophobicContact CE-CB 3.99Å; M1206-K1219 PolarHBondContact N-O 3.33Å; M1206-K1219 PolarHBondContact O-N 3.44Å |
| 1220 | F | 96.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 148.2 | 173.1 | -73.6 | -87.1 | 0 | 0 | 0 | 111.4 | S1178 V1180 L1198 I1201 P1203 I1204 N1222 H1225 A1226 F1229 | S1178-F1220 PolarHBondContact O-N 3.43Å; V1180-F1220 HydrophobicContact CG1-CD2 4.4Å; V1180-F1220 HydrophobicContact CG1-CE2 4.13Å; V1180-F1220 HydrophobicContact CG2-CD2 4.35Å; V1180-F1220 HydrophobicContact CG2-CE2 3.82Å; L1198-F1220 HydrophobicContact CB-CZ 4.2Å; L1198-F1220 HydrophobicContact CD2-CE2 3.63Å; L1198-F1220 HydrophobicContact CD2-CZ 3.5Å; L1198-F1220 HydrophobicContact CG-CZ 4.48Å; L1198-F1220 WeakPolarHBondContact O-CE1 3.36Å; I1201-F1220 HydrophobicContact CB-CE1 4.34Å; I1201-F1220 HydrophobicContact CB-CZ 4.5Å; I1201-F1220 HydrophobicContact CG2-CE1 4.49Å; P1203-F1220 WeakPolarHBondContact O-CA 3.32Å; I1204-F1220 HydrophobicContact CG2-CD1 3.6Å; I1204-F1220 HydrophobicContact CG2-CD2 4.44Å; I1204-F1220 HydrophobicContact CG2-CE1 3.68Å; I1204-F1220 HydrophobicContact CG2-CG 4.03Å; I1204-F1220 HydrophobicContact CG2-CZ 4.16Å; F1220-N1222 WeakPolarHBondContact CB-O 3.33Å; F1220-N1222 PolarHBondContact O-N 3.46Å; F1220-H1225 HydrophobicContact CB-CB 4.02Å; F1220-H1225 HydrophobicContact CD1-CB 3.45Å; F1220-H1225 VanDerWaalsContact CD1-CB 3.45Å; F1220-H1225 HydrophobicContact CE1-CB 3.98Å; F1220-H1225 HydrophobicContact CG-CB 3.79Å; F1220-A1226 HydrophobicContact CB-CB 4.35Å; F1220-A1226 VanDerWaalsContact CD2-CA 3.45Å; F1220-A1226 HydrophobicContact CD2-CB 3.73Å; F1220-A1226 HydrophobicContact CE2-CB 4.47Å; F1220-A1226 HydrophobicContact CG-CB 4.37Å; F1220-F1229 HydrophobicContact CE2-CB 3.77Å; F1220-F1229 HydrophobicContact CE2-CD1 4.41Å; F1220-F1229 AromaticContact CE2-CG 4Å; F1220-F1229 HydrophobicContact CE2-CG 4Å; F1220-F1229 HydrophobicContact CZ-CB 3.69Å; F1220-F1229 AromaticContact CZ-CD2 3.97Å; F1220-F1229 HydrophobicContact CZ-CD2 3.97Å; F1220-F1229 AromaticContact CZ-CG 3.83Å; F1220-F1229 HydrophobicContact CZ-CG 3.83Å |
| 1221 | S | 94.8 | Very high | 95.3 | Very high | 62 Ų | 62 | 61.7 Ų | 61.7 | 43% | 0.434 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -69.9 | -14.1 | 174 | -47.1 | 0 | 0 | 0 | 0 | 113.5 | P1203 E1205 | P1203-S1221 PolarHBondContact O-N 3.15Å; E1205-S1221 VanDerWaalsContact CG-OG 3.29Å; E1205-S1221 WeakPolarHBondContact CG-OG 3.48Å |
| 1222 | N | 93.5 | Very high | 95.5 | Very high | 64 Ų | 64 | 61.1 Ų | 61.1 | 34% | 0.342 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -134.2 | 124.6 | 177.2 | 176.5 | -1.8 | 0 | 0 | 0 | 108.4 | F1220 Q1224 H1225 | F1220-N1222 WeakPolarHBondContact CB-O 3.33Å; F1220-N1222 PolarHBondContact O-N 3.46Å; N1222-Q1224 PolarHBondContact O-N 3.27Å; N1222-Q1224 WeakPolarHBondContact OD1-CB 3.46Å; N1222-Q1224 PolarHBondContact OD1-N 3.13Å; N1222-H1225 PolarHBondContact ND2-NE2 3.12Å; N1222-H1225 WeakPolarHBondContact O-CB 3.31Å; N1222-H1225 PolarHBondContact O-N 2.91Å |
| 1223 | P | 93 | Very high | 95.7 | Very high | 41 Ų | 41 | 52.9 Ų | 52.9 | 27% | 0.266 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.6 | -25.2 | 179.5 | 27.4 | -36.5 | 0 | 0 | 0 | 113.7 | E1176 H1225 A1226 A1227 | E1176-P1223 HydrophobicContact CB-CB 3.58Å; E1176-P1223 HydrophobicContact CB-CG 3.85Å; E1176-P1223 WeakPolarHBondContact O-CB 3.41Å; P1223-H1225 PolarHBondContact O-N 2.96Å; P1223-A1226 WeakPolarHBondContact O-CB 3.38Å; P1223-A1226 PolarHBondContact O-N 2.9Å; P1223-A1227 PolarHBondContact O-N 3.24Å |
| 1224 | Q | 93.8 | Very high | 95.7 | Very high | 122 Ų | 122 | 51.2 Ų | 51.2 | 57% | 0.57 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -61.5 | -30.6 | 173.9 | -147.7 | 69.5 | 30.1 | 0 | 0 | 112.1 | N1222 S1228 | N1222-Q1224 PolarHBondContact O-N 3.27Å; N1222-Q1224 WeakPolarHBondContact OD1-CB 3.46Å; N1222-Q1224 PolarHBondContact OD1-N 3.13Å; Q1224-S1228 VanDerWaalsContact O-CB 3.24Å; Q1224-S1228 WeakPolarHBondContact O-CB 3.44Å; Q1224-S1228 PolarHBondContact O-N 2.74Å; Q1224-S1228 PolarHBondContact O-OG 3.17Å |
| 1225 | H | 95.7 | Very high | 95.7 | Very high | 48 Ų | 48 | 53.1 Ų | 53.1 | 22% | 0.222 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -73.2 | -38.4 | 174.1 | -57.4 | 163.9 | 0 | 0 | 0 | 111.4 | I1201 F1220 N1222 P1223 S1228 F1229 | I1201-H1225 HydrophobicContact CG2-CB 4.03Å; I1201-H1225 VanDerWaalsContact CG2-O 3.3Å; I1201-H1225 WeakPolarHBondContact CG2-O 3.36Å; F1220-H1225 HydrophobicContact CB-CB 4.02Å; F1220-H1225 HydrophobicContact CD1-CB 3.45Å; F1220-H1225 VanDerWaalsContact CD1-CB 3.45Å; F1220-H1225 HydrophobicContact CE1-CB 3.98Å; F1220-H1225 HydrophobicContact CG-CB 3.79Å; N1222-H1225 PolarHBondContact ND2-NE2 3.12Å; N1222-H1225 WeakPolarHBondContact O-CB 3.31Å; N1222-H1225 PolarHBondContact O-N 2.91Å; P1223-H1225 PolarHBondContact O-N 2.96Å; H1225-S1228 PolarHBondContact O-N 3.06Å; H1225-F1229 VanDerWaalsContact O-CB 3.25Å; H1225-F1229 WeakPolarHBondContact O-CB 3.29Å; H1225-F1229 PolarHBondContact O-N 2.71Å |
| 1226 | A | 95.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.6 | -49 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | P1177 V1180 F1220 P1223 F1229 Q1230 L1247 | P1177-A1226 WeakPolarHBondContact O-CB 3.39Å; V1180-A1226 HydrophobicContact CG1-CB 3.89Å; V1180-A1226 WeakPolarHBondContact CG1-O 3.33Å; F1220-A1226 HydrophobicContact CB-CB 4.35Å; F1220-A1226 VanDerWaalsContact CD2-CA 3.45Å; F1220-A1226 HydrophobicContact CD2-CB 3.73Å; F1220-A1226 HydrophobicContact CE2-CB 4.47Å; F1220-A1226 HydrophobicContact CG-CB 4.37Å; P1223-A1226 WeakPolarHBondContact O-CB 3.38Å; P1223-A1226 PolarHBondContact O-N 2.9Å; A1226-F1229 PolarHBondContact O-N 2.8Å; A1226-Q1230 PolarHBondContact O-N 2.66Å; A1226-L1247 HydrophobicContact CB-CD2 3.7Å |
| 1227 | A | 95 | Very high | 95.6 | Very high | 28 Ų | 28 | 59.1 Ų | 59.1 | 23% | 0.231 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.1 | -44.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | P1223 F1229 Q1230 M1231 L1247 | P1223-A1227 PolarHBondContact O-N 3.24Å; A1227-F1229 VanDerWaalsContact C-N 3.33Å; A1227-F1229 PolarHBondContact O-N 3.48Å; A1227-Q1230 PolarHBondContact O-N 2.77Å; A1227-M1231 WeakPolarHBondContact O-CG 3.44Å; A1227-M1231 PolarHBondContact O-N 3.43Å; A1227-L1247 HydrophobicContact CB-CD1 4.43Å |
| 1228 | S | 95.9 | Very high | 95.6 | Very high | 46 Ų | 46 | 57.7 Ų | 57.7 | 32% | 0.322 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.3 | -40.2 | 176.8 | -59.7 | 0 | 0 | 0 | 0 | 111.9 | Q1224 H1225 S1232 | Q1224-S1228 VanDerWaalsContact O-CB 3.24Å; Q1224-S1228 WeakPolarHBondContact O-CB 3.44Å; Q1224-S1228 PolarHBondContact O-N 2.74Å; Q1224-S1228 PolarHBondContact O-OG 3.17Å; H1225-S1228 PolarHBondContact O-N 3.06Å; S1228-S1232 WeakPolarHBondContact O-CB 3.46Å; S1228-S1232 PolarHBondContact O-N 2.7Å; S1228-S1232 PolarHBondContact O-OG 3.49Å |
| 1229 | F | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66 | -42.6 | 175.3 | -176.6 | -88 | 0 | 0 | 0 | 111.2 | V1180 I1182 L1197 L1198 I1201 F1220 H1225 A1226 A1227 S1232 F1233 V1245 | V1180-F1229 HydrophobicContact CB-CD1 4.33Å; V1180-F1229 HydrophobicContact CG1-CD1 4.15Å; V1180-F1229 HydrophobicContact CG2-CD1 3.99Å; V1180-F1229 HydrophobicContact CG2-CE1 4.24Å; I1182-F1229 HydrophobicContact CD1-CE1 3.56Å; I1182-F1229 HydrophobicContact CD1-CZ 3.69Å; I1182-F1229 HydrophobicContact CG1-CE1 3.98Å; L1197-F1229 HydrophobicContact CD2-CE2 4.4Å; L1197-F1229 HydrophobicContact CD2-CZ 4.47Å; L1197-F1229 HydrophobicContact CG-CE2 4.19Å; L1198-F1229 HydrophobicContact CB-CE2 4.47Å; L1198-F1229 HydrophobicContact CD2-CD1 4.06Å; L1198-F1229 HydrophobicContact CD2-CD2 3.93Å; L1198-F1229 HydrophobicContact CD2-CE1 3.84Å; L1198-F1229 HydrophobicContact CD2-CE2 3.7Å; L1198-F1229 HydrophobicContact CD2-CG 4.12Å; L1198-F1229 HydrophobicContact CD2-CZ 3.67Å; L1198-F1229 HydrophobicContact CG-CE2 3.96Å; L1198-F1229 HydrophobicContact CG-CZ 4.06Å; I1201-F1229 HydrophobicContact CB-CB 4.39Å; I1201-F1229 HydrophobicContact CB-CD2 4.42Å; I1201-F1229 HydrophobicContact CG1-CB 4.27Å; I1201-F1229 HydrophobicContact CG1-CD2 3.94Å; I1201-F1229 HydrophobicContact CG2-CB 4.19Å; F1220-F1229 HydrophobicContact CE2-CB 3.77Å; F1220-F1229 HydrophobicContact CE2-CD1 4.41Å; F1220-F1229 AromaticContact CE2-CG 4Å; F1220-F1229 HydrophobicContact CE2-CG 4Å; F1220-F1229 HydrophobicContact CZ-CB 3.69Å; F1220-F1229 AromaticContact CZ-CD2 3.97Å; F1220-F1229 HydrophobicContact CZ-CD2 3.97Å; F1220-F1229 AromaticContact CZ-CG 3.83Å; F1220-F1229 HydrophobicContact CZ-CG 3.83Å; H1225-F1229 VanDerWaalsContact O-CB 3.25Å; H1225-F1229 WeakPolarHBondContact O-CB 3.29Å; H1225-F1229 PolarHBondContact O-N 2.71Å; A1226-F1229 PolarHBondContact O-N 2.8Å; A1227-F1229 VanDerWaalsContact C-N 3.33Å; A1227-F1229 PolarHBondContact O-N 3.48Å; F1229-S1232 PolarHBondContact O-N 2.87Å; F1229-F1233 AromaticContact CD2-CD2 3.4Å; F1229-F1233 HydrophobicContact CD2-CD2 3.4Å; F1229-F1233 AromaticContact CD2-CE2 3.9Å; F1229-F1233 HydrophobicContact CD2-CE2 3.9Å; F1229-F1233 HydrophobicContact CD2-CG 4.29Å; F1229-F1233 HydrophobicContact CE1-CB 4.19Å; F1229-F1233 HydrophobicContact CE2-CB 4.28Å; F1229-F1233 AromaticContact CE2-CD2 3.47Å; F1229-F1233 HydrophobicContact CE2-CD2 3.47Å; F1229-F1233 VanDerWaalsContact CE2-CD2 3.47Å; F1229-F1233 HydrophobicContact CE2-CE2 4.02Å; F1229-F1233 AromaticContact CE2-CG 3.98Å; F1229-F1233 HydrophobicContact CE2-CG 3.98Å; F1229-F1233 AromaticContact CG-CD2 3.99Å; F1229-F1233 HydrophobicContact CG-CD2 3.99Å; F1229-F1233 HydrophobicContact CZ-CB 4.04Å; F1229-F1233 HydrophobicContact CZ-CD2 4.11Å; F1229-F1233 HydrophobicContact CZ-CG 4.22Å; F1229-F1233 WeakPolarHBondContact O-CB 3.1Å; F1229-F1233 PolarHBondContact O-N 3.03Å; F1229-V1245 HydrophobicContact CD1-CG1 3.79Å; F1229-V1245 HydrophobicContact CE1-CG1 3.81Å; F1229-V1245 HydrophobicContact CE1-CG2 3.99Å |
| 1230 | Q | 96.1 | Very high | 95.4 | Very high | 56 Ų | 56 | 64.7 Ų | 64.7 | 26% | 0.262 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.9 | -53.6 | 173.9 | -166 | -160.3 | 16 | 0 | 0 | 111 | A1226 A1227 S1232 F1233 H1234 V1245 L1247 | A1226-Q1230 PolarHBondContact O-N 2.66Å; A1227-Q1230 PolarHBondContact O-N 2.77Å; Q1230-S1232 VanDerWaalsContact C-N 3.28Å; Q1230-S1232 PolarHBondContact O-N 2.98Å; Q1230-F1233 PolarHBondContact O-N 3.46Å; Q1230-H1234 WeakPolarHBondContact O-CB 3.44Å; Q1230-H1234 PolarHBondContact O-N 3.08Å; Q1230-V1245 HydrophobicContact CB-CG1 4.15Å; Q1230-V1245 HydrophobicContact CG-CB 4.32Å; Q1230-V1245 HydrophobicContact CG-CG1 4.06Å; Q1230-V1245 PolarHBondContact NE2-O 2.96Å; Q1230-L1247 HydrophobicContact CB-CG 4.21Å; Q1230-L1247 HydrophobicContact CG-CG 4.42Å |
| 1231 | M | 94.6 | Very high | 95.4 | Very high | 164 Ų | 164 | 65.7 Ų | 65.7 | 81% | 0.808 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -61.2 | -34.2 | -178.9 | -69.5 | -175.8 | 69.9 | 0 | 0 | 113.3 | A1227 | A1227-M1231 WeakPolarHBondContact O-CG 3.44Å; A1227-M1231 PolarHBondContact O-N 3.43Å |
| 1232 | S | 95.7 | Very high | 95.4 | Very high | 69 Ų | 69 | 67.6 Ų | 67.6 | 48% | 0.483 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -84.7 | -31.5 | -177.4 | -54.6 | 0 | 0 | 0 | 0 | 113.9 | S1228 F1229 Q1230 | S1228-S1232 WeakPolarHBondContact O-CB 3.46Å; S1228-S1232 PolarHBondContact O-N 2.7Å; S1228-S1232 PolarHBondContact O-OG 3.49Å; F1229-S1232 PolarHBondContact O-N 2.87Å; Q1230-S1232 VanDerWaalsContact C-N 3.28Å; Q1230-S1232 PolarHBondContact O-N 2.98Å |
| 1233 | F | 96.6 | Very high | 95.6 | Very high | 25 Ų | 25 | 64.6 Ų | 64.6 | 11% | 0.11 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -118.3 | -3 | -170.4 | -64.4 | -73.1 | 0 | 0 | 0 | 115.4 | L1197 I1201 F1229 Q1230 R1235 H1236 I1243 V1245 | L1197-F1233 HydrophobicContact CD1-CD1 4.28Å; L1197-F1233 HydrophobicContact CD1-CE1 3.58Å; L1197-F1233 HydrophobicContact CD1-CZ 3.74Å; L1197-F1233 HydrophobicContact CD2-CD1 3.97Å; L1197-F1233 HydrophobicContact CD2-CE1 4.12Å; L1197-F1233 HydrophobicContact CD2-CG 4.41Å; L1197-F1233 HydrophobicContact CG-CD1 4.28Å; L1197-F1233 HydrophobicContact CG-CE1 4Å; L1197-F1233 HydrophobicContact CG-CE2 4.49Å; L1197-F1233 HydrophobicContact CG-CZ 4.11Å; I1201-F1233 HydrophobicContact CD1-CE2 3.93Å; I1201-F1233 HydrophobicContact CG1-CD2 4.37Å; I1201-F1233 HydrophobicContact CG1-CE2 3.71Å; F1229-F1233 AromaticContact CD2-CD2 3.4Å; F1229-F1233 HydrophobicContact CD2-CD2 3.4Å; F1229-F1233 AromaticContact CD2-CE2 3.9Å; F1229-F1233 HydrophobicContact CD2-CE2 3.9Å; F1229-F1233 HydrophobicContact CD2-CG 4.29Å; F1229-F1233 HydrophobicContact CE1-CB 4.19Å; F1229-F1233 HydrophobicContact CE2-CB 4.28Å; F1229-F1233 AromaticContact CE2-CD2 3.47Å; F1229-F1233 HydrophobicContact CE2-CD2 3.47Å; F1229-F1233 VanDerWaalsContact CE2-CD2 3.47Å; F1229-F1233 HydrophobicContact CE2-CE2 4.02Å; F1229-F1233 AromaticContact CE2-CG 3.98Å; F1229-F1233 HydrophobicContact CE2-CG 3.98Å; F1229-F1233 AromaticContact CG-CD2 3.99Å; F1229-F1233 HydrophobicContact CG-CD2 3.99Å; F1229-F1233 HydrophobicContact CZ-CB 4.04Å; F1229-F1233 HydrophobicContact CZ-CD2 4.11Å; F1229-F1233 HydrophobicContact CZ-CG 4.22Å; F1229-F1233 WeakPolarHBondContact O-CB 3.1Å; F1229-F1233 PolarHBondContact O-N 3.03Å; Q1230-F1233 PolarHBondContact O-N 3.46Å; F1233-R1235 PolarHBondContact O-N 2.78Å; F1233-H1236 HydrophobicContact CB-CB 4.2Å; F1233-H1236 HydrophobicContact CD1-CB 3.99Å; F1233-H1236 AromaticContact CD1-CD2 3.96Å; F1233-H1236 AromaticContact CD1-CE1 3.96Å; F1233-H1236 AromaticContact CD1-CG 3.63Å; F1233-H1236 AromaticContact CD1-ND1 3.61Å; F1233-H1236 AromaticContact CE1-CE1 3.85Å; F1233-H1236 AromaticContact CE1-ND1 3.94Å; F1233-H1236 WeakPolarHBondContact O-CB 3Å; F1233-H1236 PolarHBondContact O-N 2.7Å; F1233-I1243 HydrophobicContact CB-CD1 4.39Å; F1233-V1245 HydrophobicContact CB-CG2 4.19Å; F1233-V1245 WeakPolarHBondContact O-CG2 3.3Å |
| 1234 | H | 96.1 | Very high | 95.8 | Very high | 94 Ų | 94 | 66.3 Ų | 66.3 | 44% | 0.435 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 121.5 | 169.6 | 179.9 | 85.5 | 0 | 0 | 0 | 110.7 | Q1230 H1236 V1245 | Q1230-H1234 WeakPolarHBondContact O-CB 3.44Å; Q1230-H1234 PolarHBondContact O-N 3.08Å; H1234-H1236 VanDerWaalsContact C-N 3.27Å; H1234-H1236 PolarHBondContact O-N 2.79Å; H1234-V1245 HydrophobicContact CB-CB 4.26Å; H1234-V1245 PolarHBondContact ND1-O 3.15Å |
| 1235 | R | 95.5 | Very high | 96 | Very high | 150 Ų | 150 | 60.6 Ų | 60.6 | 57% | 0.566 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.2 | 23.2 | -173.6 | -59.5 | 174.4 | 70.3 | -92.5 | -10.4 | 114.6 | F1233 H1242 I1243 D1244 | F1233-R1235 PolarHBondContact O-N 2.78Å; R1235-H1242 PolarHBondContact O-CD2 3.06Å; R1235-I1243 WeakPolarHBondContact CA-O 3.19Å; R1235-I1243 PolarHBondContact N-O 3.07Å; R1235-D1244 VanDerWaalsContact CG-OD1 3.22Å; R1235-D1244 WeakPolarHBondContact CG-OD1 3.37Å |
| 1236 | H | 96.4 | Very high | 96 | Very high | 79 Ų | 79 | 60.3 Ų | 60.3 | 37% | 0.366 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 157.9 | 172.5 | -167.2 | 93.9 | 0 | 0 | 0 | 112.1 | F1233 H1234 H1242 I1243 | F1233-H1236 HydrophobicContact CB-CB 4.2Å; F1233-H1236 HydrophobicContact CD1-CB 3.99Å; F1233-H1236 AromaticContact CD1-CD2 3.96Å; F1233-H1236 AromaticContact CD1-CE1 3.96Å; F1233-H1236 AromaticContact CD1-CG 3.63Å; F1233-H1236 AromaticContact CD1-ND1 3.61Å; F1233-H1236 AromaticContact CE1-CE1 3.85Å; F1233-H1236 AromaticContact CE1-ND1 3.94Å; F1233-H1236 WeakPolarHBondContact O-CB 3Å; F1233-H1236 PolarHBondContact O-N 2.7Å; H1234-H1236 VanDerWaalsContact C-N 3.27Å; H1234-H1236 PolarHBondContact O-N 2.79Å; H1236-H1242 CarbonylContact O-C 3.41Å; H1236-H1242 VanDerWaalsContact O-CA 3.31Å; H1236-H1242 WeakPolarHBondContact O-CA 3.38Å; H1236-I1243 HydrophobicContact CB-CD1 4.4Å; H1236-I1243 HydrophobicContact CB-CG1 4.09Å; H1236-I1243 VanDerWaalsContact O-CG1 3.32Å; H1236-I1243 WeakPolarHBondContact O-CG1 3.28Å; H1236-I1243 PolarHBondContact O-N 3.04Å |
| 1237 | M | 96.8 | Very high | 96 | Very high | 90 Ų | 90 | 62.8 Ų | 62.8 | 44% | 0.443 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 108.9 | -178.6 | -84.2 | -84.8 | -82.6 | 0 | 0 | 111.8 | L1240 S1241 H1242 | M1237-L1240 HydrophobicContact CE-CB 4.41Å; M1237-L1240 HydrophobicContact CE-CD2 4.33Å; M1237-S1241 CarbonylContact C-O 3.21Å; M1237-S1241 WeakPolarHBondContact CA-O 3.03Å; M1237-H1242 PolarHBondContact SD-CE1 2.95Å; M1237-H1242 PolarHBondContact SD-ND1 2.97Å |
| 1238 | I | 95.6 | Very high | 95.7 | Very high | 11 Ų | 11 | 63.5 Ų | 63.5 | 6% | 0.056 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 124.8 | 170.7 | -52.8 | -177.4 | 0 | 0 | 0 | 108.1 | T1189 L1194 L1197 L1240 S1241 I1243 | T1189-I1238 HydrophobicContact CG2-CG2 3.78Å; L1194-I1238 HydrophobicContact CD1-CD1 3.76Å; L1197-I1238 HydrophobicContact CD2-CD1 3.48Å; L1197-I1238 VanDerWaalsContact CD2-CD1 3.48Å; L1197-I1238 HydrophobicContact CD2-CG1 4.29Å; I1238-L1240 VanDerWaalsContact C-N 3.27Å; I1238-L1240 PolarHBondContact O-N 3.18Å; I1238-S1241 PolarHBondContact N-O 2.74Å; I1238-S1241 WeakPolarHBondContact O-CA 3.44Å; I1238-S1241 WeakPolarHBondContact O-CB 3.46Å; I1238-S1241 PolarHBondContact O-N 2.99Å; I1238-S1241 VanDerWaalsContact O-O 3.06Å; I1238-I1243 HydrophobicContact CB-CG2 4.37Å; I1238-I1243 HydrophobicContact CD1-CD1 3.57Å; I1238-I1243 HydrophobicContact CD1-CG1 4.11Å; I1238-I1243 HydrophobicContact CD1-CG2 4.15Å; I1238-I1243 HydrophobicContact CG1-CD1 4.16Å; I1238-I1243 HydrophobicContact CG1-CG1 4.21Å; I1238-I1243 HydrophobicContact CG1-CG2 4.28Å |
| 1239 | D | 95.3 | Very high | 94.9 | Very high | 54 Ų | 54 | 67.9 Ų | 67.9 | 29% | 0.289 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46 | 47.2 | -177.3 | -55.8 | -13.8 | 0 | 0 | 0 | 114.2 | S1188 T1189 Q1193 S1241 | S1188-D1239 VanDerWaalsContact C-OD2 3.27Å; S1188-D1239 WeakPolarHBondContact OG-CB 3.46Å; S1188-D1239 VanDerWaalsContact OG-CG 3.27Å; S1188-D1239 PolarHBondContact OG-OD2 3.49Å; T1189-D1239 WeakPolarHBondContact CA-OD2 3.24Å; T1189-D1239 WeakPolarHBondContact CB-OD2 3.09Å; T1189-D1239 PolarHBondContact N-OD2 3.28Å; T1189-D1239 PolarHBondContact OG1-OD2 3.16Å; Q1193-D1239 PolarHBondContact NE2-OD1 2.86Å; D1239-S1241 PolarHBondContact O-N 3.16Å |
| 1240 | L | 94.6 | Very high | 93.1 | Very high | 156 Ų | 156 | 72.2 Ų | 72.2 | 82% | 0.817 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 4.6 | -177.3 | -46.9 | 177.2 | 0 | 0 | 0 | 115.4 | M1237 I1238 | M1237-L1240 HydrophobicContact CE-CB 4.41Å; M1237-L1240 HydrophobicContact CE-CD2 4.33Å; I1238-L1240 VanDerWaalsContact C-N 3.27Å; I1238-L1240 PolarHBondContact O-N 3.18Å |
| 1241 | S | 95 | Very high | 92.9 | Very high | 21 Ų | 21 | 73 Ų | 73 | 15% | 0.147 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 136.6 | 169.5 | -63.4 | 0 | 0 | 0 | 0 | 110.5 | G1184 M1237 I1238 D1239 | G1184-S1241 WeakPolarHBondContact O-CB 3.32Å; M1237-S1241 CarbonylContact C-O 3.21Å; M1237-S1241 WeakPolarHBondContact CA-O 3.03Å; I1238-S1241 PolarHBondContact N-O 2.74Å; I1238-S1241 WeakPolarHBondContact O-CA 3.44Å; I1238-S1241 WeakPolarHBondContact O-CB 3.46Å; I1238-S1241 PolarHBondContact O-N 2.99Å; I1238-S1241 VanDerWaalsContact O-O 3.06Å; D1239-S1241 PolarHBondContact O-N 3.16Å |
| 1242 | H | 96.1 | Very high | 92.8 | Very high | 102 Ų | 102 | 68.2 Ų | 68.2 | 47% | 0.472 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 133.2 | 167.4 | -68.8 | 70.6 | 0 | 0 | 0 | 108.8 | R1235 H1236 M1237 | R1235-H1242 PolarHBondContact O-CD2 3.06Å; H1236-H1242 CarbonylContact O-C 3.41Å; H1236-H1242 VanDerWaalsContact O-CA 3.31Å; H1236-H1242 WeakPolarHBondContact O-CA 3.38Å; M1237-H1242 PolarHBondContact SD-CE1 2.95Å; M1237-H1242 PolarHBondContact SD-ND1 2.97Å |
| 1243 | I | 97.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 131.2 | 174.6 | 55.3 | 151.2 | 0 | 0 | 0 | 111.4 | I1182 E1183 L1185 F1233 R1235 H1236 I1238 V1245 | I1182-I1243 HydrophobicContact CG2-CB 3.96Å; I1182-I1243 HydrophobicContact CG2-CD1 3.82Å; I1182-I1243 HydrophobicContact CG2-CG2 4.24Å; E1183-I1243 CarbonylContact O-C 3.19Å; E1183-I1243 WeakPolarHBondContact O-CA 3.31Å; L1185-I1243 HydrophobicContact CD2-CG2 3.77Å; L1185-I1243 HydrophobicContact CG-CG2 4.41Å; F1233-I1243 HydrophobicContact CB-CD1 4.39Å; R1235-I1243 WeakPolarHBondContact CA-O 3.19Å; R1235-I1243 PolarHBondContact N-O 3.07Å; H1236-I1243 HydrophobicContact CB-CD1 4.4Å; H1236-I1243 HydrophobicContact CB-CG1 4.09Å; H1236-I1243 VanDerWaalsContact O-CG1 3.32Å; H1236-I1243 WeakPolarHBondContact O-CG1 3.28Å; H1236-I1243 PolarHBondContact O-N 3.04Å; I1238-I1243 HydrophobicContact CB-CG2 4.37Å; I1238-I1243 HydrophobicContact CD1-CD1 3.57Å; I1238-I1243 HydrophobicContact CD1-CG1 4.11Å; I1238-I1243 HydrophobicContact CD1-CG2 4.15Å; I1238-I1243 HydrophobicContact CG1-CD1 4.16Å; I1238-I1243 HydrophobicContact CG1-CG1 4.21Å; I1238-I1243 HydrophobicContact CG1-CG2 4.28Å; I1243-V1245 HydrophobicContact CD1-CG2 3.85Å |
| 1244 | D | 97.3 | Very high | 92.4 | Very high | 77 Ų | 77 | 70.7 Ų | 70.7 | 41% | 0.412 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 114.4 | 174.8 | -74.1 | -48.8 | 0 | 0 | 0 | 109.1 | E1183 R1235 | E1183-D1244 PolarHBondContact N-O 2.77Å; E1183-D1244 PolarHBondContact O-N 2.85Å; R1235-D1244 VanDerWaalsContact CG-OD1 3.22Å; R1235-D1244 WeakPolarHBondContact CG-OD1 3.37Å |
| 1245 | V | 97.4 | Very high | 92.2 | Very high | 2 Ų | 2 | 69.3 Ų | 69.3 | 1% | 0.012 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 132.6 | -180 | -170.8 | 0 | 0 | 0 | 0 | 110 | V1180 C1181 I1182 F1229 Q1230 F1233 H1234 I1243 | V1180-V1245 HydrophobicContact CB-CG1 4.21Å; V1180-V1245 HydrophobicContact CG1-CG1 4.42Å; C1181-V1245 WeakPolarHBondContact O-CA 3.39Å; I1182-V1245 HydrophobicContact CG1-CG1 4.46Å; I1182-V1245 HydrophobicContact CG1-CG2 4.41Å; I1182-V1245 HydrophobicContact CG2-CG2 4.37Å; F1229-V1245 HydrophobicContact CD1-CG1 3.79Å; F1229-V1245 HydrophobicContact CE1-CG1 3.81Å; F1229-V1245 HydrophobicContact CE1-CG2 3.99Å; Q1230-V1245 HydrophobicContact CB-CG1 4.15Å; Q1230-V1245 HydrophobicContact CG-CB 4.32Å; Q1230-V1245 HydrophobicContact CG-CG1 4.06Å; Q1230-V1245 PolarHBondContact NE2-O 2.96Å; F1233-V1245 HydrophobicContact CB-CG2 4.19Å; F1233-V1245 WeakPolarHBondContact O-CG2 3.3Å; H1234-V1245 HydrophobicContact CB-CB 4.26Å; H1234-V1245 PolarHBondContact ND1-O 3.15Å; I1243-V1245 HydrophobicContact CD1-CG2 3.85Å |
| 1246 | S | 95.9 | Very high | 92 | Very high | 43 Ų | 43 | 63.9 Ų | 63.9 | 30% | 0.301 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 147.6 | 179.4 | 49.4 | 0 | 0 | 0 | 0 | 110.2 | V1180 C1181 | V1180-S1246 CarbonylContact C-O 3.43Å; V1180-S1246 WeakPolarHBondContact CA-O 3.46Å; C1181-S1246 WeakPolarHBondContact CB-OG 3.46Å; C1181-S1246 PolarHBondContact N-O 3.44Å; C1181-S1246 PolarHBondContact O-N 2.86Å; C1181-S1246 PolarHBondContact O-OG 3Å; C1181-S1246 VanDerWaalsContact O-OG 3.1Å |
| 1247 | L | 95.1 | Very high | 91.7 | Very high | 51 Ų | 51 | 62.8 Ų | 62.8 | 27% | 0.267 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 142.8 | 168.6 | -70.8 | 166.1 | 0 | 0 | 0 | 109.5 | P1177 V1180 A1226 A1227 Q1230 | P1177-L1247 HydrophobicContact CB-CB 4Å; P1177-L1247 HydrophobicContact CB-CD2 4.45Å; P1177-L1247 HydrophobicContact CG-CB 3.78Å; P1177-L1247 HydrophobicContact CG-CD1 4.04Å; P1177-L1247 HydrophobicContact CG-CD2 4.32Å; P1177-L1247 HydrophobicContact CG-CG 4.26Å; P1177-L1247 WeakPolarHBondContact O-CD2 3.42Å; V1180-L1247 HydrophobicContact CG1-CD2 3.93Å; A1226-L1247 HydrophobicContact CB-CD2 3.7Å; A1227-L1247 HydrophobicContact CB-CD1 4.43Å; Q1230-L1247 HydrophobicContact CB-CG 4.21Å; Q1230-L1247 HydrophobicContact CG-CG 4.42Å |
| 1248 | T | 90.5 | Very high | 91.3 | Very high | 44 Ų | 44 | 60.7 Ų | 60.7 | 27% | 0.27 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 143.6 | -177.8 | 50.2 | 0 | 0 | 0 | 0 | 110.8 | T1179 C1181 G1250 | T1179-T1248 VanDerWaalsContact CB-O 3.28Å; T1179-T1248 WeakPolarHBondContact CB-O 3.26Å; T1179-T1248 PolarHBondContact O-N 3.17Å; T1179-T1248 VanDerWaalsContact O-O 3.12Å; T1179-T1248 PolarHBondContact O-OG1 3.42Å; C1181-T1248 HydrophobicContact CB-CG2 3.66Å; T1248-G1250 PolarHBondContact O-N 3.05Å |
| 1249 | D | 78.7 | Confident | 90.9 | Very high | 137 Ų | 137 | 64.8 Ų | 64.8 | 73% | 0.733 | 39% | 0.388 | S | S | * | . | | | trans | -86 | 86.9 | 175.6 | -59.8 | -58.2 | 0 | 0 | 0 | 111.6 | | |
| 1250 | G | 57.9 | Low | 90.5 | Very high | 91 Ų | 91 | 65.8 Ų | 65.8 | 94% | 0.938 | 40% | 0.397 | S | S | * | . | | | trans | 77.4 | 0 | 165.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | T1248 | T1248-G1250 PolarHBondContact O-N 3.05Š|