| 1 | M | 32.4 | Very low | 28.7 | Very low | 229 Ų | 229 | 145.5 Ų | 145.5 | 100% | 1.128 | 81% | 0.813 | S | S | * | * | | | | 0 | 95.8 | 0 | -69.9 | -179.5 | 178.2 | 0 | 0 | 109.2 | | |
| 2 | N | 28.7 | Very low | 28.7 | Very low | 136 Ų | 136 | 149.5 Ų | 149.5 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | | | cis | 170.9 | 138.1 | -16.2 | -89.7 | 11.8 | 0 | 0 | 0 | 102 | | |
| 3 | N | 29.5 | Very low | 28.6 | Very low | 114 Ų | 114 | 147.4 Ų | 147.4 | 61% | 0.61 | 81% | 0.81 | S | S | * | * | | | cis | -160.1 | 156.1 | -2.5 | -111.6 | 4.7 | 0 | 0 | 0 | 109 | | |
| 4 | F | 30.3 | Very low | 28.7 | Very low | 171 Ų | 171 | 147.7 Ų | 147.7 | 75% | 0.75 | 81% | 0.81 | S | S | * | * | | | trans | 59.6 | 125.8 | 172.6 | -55.6 | -68.7 | 0 | 0 | 0 | 116.7 | | |
| 5 | I | 28.8 | Very low | 28.7 | Very low | 151 Ų | 151 | 149 Ų | 149 | 77% | 0.774 | 81% | 0.805 | S | S | * | * | | | cis | 65.5 | 93.1 | 13.7 | -43.4 | 177.4 | 0 | 0 | 0 | 114.8 | | |
| 6 | E | 28 | Very low | 28.7 | Very low | 195 Ų | 195 | 148.6 Ų | 148.6 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | | | trans | 175.6 | 147.6 | 138.6 | -99.4 | 168.5 | -176.3 | 0 | 0 | 107.9 | | |
| 7 | G | 28.4 | Very low | 28.9 | Very low | 73 Ų | 73 | 147.6 Ų | 147.6 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | | | cis | -160.9 | 159.2 | -11.5 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 8 | A | 27.3 | Very low | 29 | Very low | 102 Ų | 102 | 147.9 Ų | 147.9 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | | | trans | -135.8 | 128.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 9 | P | 28.3 | Very low | 28.9 | Very low | 131 Ų | 131 | 145.2 Ų | 145.2 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | | | trans | -97.2 | 103.5 | 170.2 | 33.7 | -27.6 | 0 | 0 | 0 | 111 | | |
| 10 | S | 25.3 | Very low | 29 | Very low | 113 Ų | 113 | 143.4 Ų | 143.4 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | | | trans | -72.1 | 141.7 | 165 | 56.3 | 0 | 0 | 0 | 0 | 111 | | |
| 11 | K | 28.4 | Very low | 29 | Very low | 186 Ų | 186 | 144.6 Ų | 144.6 | 81% | 0.809 | 78% | 0.783 | S | S | * | * | | | trans | -148.4 | 128.5 | 162.7 | -110.3 | 170.5 | -175.2 | 176.3 | 0 | 112.8 | | |
| 12 | F | 29.2 | Very low | 28.8 | Very low | 193 Ų | 193 | 140.1 Ų | 140.1 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | | | trans | 67.4 | 118.3 | 167.7 | -58.5 | -66.8 | 0 | 0 | 0 | 120.4 | | |
| 13 | V | 27.3 | Very low | 28.8 | Very low | 122 Ų | 122 | 137.9 Ų | 137.9 | 74% | 0.739 | 76% | 0.757 | S | S | * | * | | | trans | -132.2 | 131.1 | 169.6 | 168 | 0 | 0 | 0 | 0 | 107.8 | K15 | V13-K15 HydrophobicContact CG1-CG 4.31Š|
| 14 | N | 30.5 | Very low | 28.8 | Very low | 152 Ų | 152 | 135.4 Ų | 135.4 | 81% | 0.813 | 75% | 0.747 | S | S | * | * | | | trans | -160.1 | 121.2 | 151.7 | -96.6 | -21.9 | 0 | 0 | 0 | 105.8 | | |
| 15 | K | 28.6 | Very low | 28.7 | Very low | 167 Ų | 167 | 134 Ų | 134 | 73% | 0.726 | 75% | 0.748 | S | S | * | * | | | | 60.1 | 101.8 | 55.2 | -64.9 | -169.6 | 173.5 | -176.7 | 0 | 110.7 | V13 | V13-K15 HydrophobicContact CG1-CG 4.31Š|
| 16 | N | 28 | Very low | 28.9 | Very low | 143 Ų | 143 | 135.1 Ų | 135.1 | 77% | 0.765 | 75% | 0.754 | S | S | * | * | | | | -156.2 | -173.3 | 68.8 | -84.8 | -21.6 | 0 | 0 | 0 | 114.5 | | |
| 17 | D | 33.2 | Very low | 28.9 | Very low | 132 Ų | 132 | 132 Ų | 132 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | | | trans | 79.2 | 73.6 | 156.1 | -55.5 | -22.2 | 0 | 0 | 0 | 121.8 | | |
| 18 | I | 29.9 | Very low | 29 | Very low | 152 Ų | 152 | 135.5 Ų | 135.5 | 78% | 0.779 | 75% | 0.749 | S | S | * | * | | | | 54 | 111.9 | 113.3 | -57.1 | 157 | 0 | 0 | 0 | 118.9 | | |
| 19 | S | 27.6 | Very low | 29.1 | Very low | 96 Ų | 96 | 137.9 Ų | 137.9 | 67% | 0.671 | 75% | 0.747 | S | S | * | * | | | | 165.9 | 115.2 | 107.7 | -157.7 | 0 | 0 | 0 | 0 | 117.3 | | |
| 20 | T | 30.2 | Very low | 29.2 | Very low | 110 Ų | 110 | 142.9 Ų | 142.9 | 68% | 0.675 | 75% | 0.749 | S | S | * | * | | | trans | 59.2 | 123.3 | 144.6 | 59.6 | 0 | 0 | 0 | 0 | 126.2 | | |
| 21 | H | 30.1 | Very low | 29.3 | Very low | 169 Ų | 169 | 145.3 Ų | 145.3 | 78% | 0.782 | 75% | 0.745 | S | S | * | * | | | trans | 69 | 84.3 | 131.8 | -63.9 | -49.9 | 0 | 0 | 0 | 124.1 | | |
| 22 | I | 27.4 | Very low | 29.3 | Very low | 135 Ų | 135 | 140.4 Ų | 140.4 | 69% | 0.692 | 74% | 0.735 | S | S | * | * | | | trans | -142.5 | 125.3 | 142.4 | -57.6 | -178.3 | 0 | 0 | 0 | 110.8 | | |
| 23 | S | 28.9 | Very low | 29.3 | Very low | 88 Ų | 88 | 140.6 Ų | 140.6 | 62% | 0.615 | 74% | 0.735 | S | S | * | * | | | trans | -159 | 172.6 | 175.5 | 77.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 24 | P | 30.2 | Very low | 29.3 | Very low | 62 Ų | 62 | 140.2 Ų | 140.2 | 40% | 0.403 | 73% | 0.733 | S | S | . | * | | | | -146.4 | 120.3 | -85.3 | 37.7 | -17.6 | 0 | 0 | 0 | 116.3 | K411 | P24-K411 HydrophobicContact CB-CD 4.12Å; P24-K411 HydrophobicContact CG-CB 3.79Å; P24-K411 HydrophobicContact CG-CD 3.42Å; P24-K411 VanDerWaalsContact CG-CD 3.42Å; P24-K411 HydrophobicContact CG-CG 4.3Å |
| 25 | N | 28 | Very low | 29.3 | Very low | 142 Ų | 142 | 141.1 Ų | 141.1 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | | | trans | -153 | 87.5 | 172.1 | -98.8 | -36.5 | 0 | 0 | 0 | 115.4 | | |
| 26 | L | 32.2 | Very low | 29.4 | Very low | 174 Ų | 174 | 139 Ų | 139 | 91% | 0.911 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -148.2 | 37 | 167.6 | -115.9 | 171.5 | 0 | 0 | 0 | 112.2 | | |
| 27 | T | 28.4 | Very low | 29.6 | Very low | 129 Ų | 129 | 135.2 Ų | 135.2 | 79% | 0.791 | 72% | 0.716 | S | S | * | * | | | trans | -147.8 | 44.3 | -168.8 | -27.1 | 0 | 0 | 0 | 0 | 113.5 | | |
| 28 | L | 30.1 | Very low | 29.8 | Very low | 147 Ų | 147 | 136.4 Ų | 136.4 | 77% | 0.77 | 72% | 0.722 | S | S | * | * | | | trans | -159.1 | 92.6 | 177.3 | -111.8 | 160.4 | 0 | 0 | 0 | 111.2 | | |
| 29 | L | 30.3 | Very low | 30.1 | Very low | 152 Ų | 152 | 131.3 Ų | 131.3 | 80% | 0.796 | 71% | 0.707 | S | S | * | * | | | trans | -177.4 | 42.2 | 155.1 | -104.6 | 166.5 | 0 | 0 | 0 | 113.8 | | |
| 30 | R | 29.3 | Very low | 30.6 | Very low | 237 Ų | 237 | 130.6 Ų | 130.6 | 89% | 0.894 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -109 | 137.7 | 154.8 | -84.7 | -178.8 | 168.7 | 172.1 | -3.7 | 107.3 | | |
| 31 | K | 27.6 | Very low | 30.9 | Very low | 163 Ų | 163 | 129 Ų | 129 | 71% | 0.709 | 69% | 0.686 | S | S | * | * | S | Bend | trans | 74.6 | 73.5 | -179.7 | -51.6 | 176.8 | -179.6 | 176.9 | 0 | 117.3 | | |
| 32 | S | 28.5 | Very low | 31.2 | Very low | 84 Ų | 84 | 124.7 Ų | 124.7 | 59% | 0.587 | 68% | 0.675 | S | S | * | * | | | trans | -152.6 | 107 | 148.1 | 45.6 | 0 | 0 | 0 | 0 | 111.7 | T34 | S32-T34 VanDerWaalsContact C-N 3.33Å; S32-T34 PolarHBondContact O-N 2.86Å |
| 33 | K | 28.8 | Very low | 31.7 | Very low | 196 Ų | 196 | 120.7 Ų | 120.7 | 85% | 0.852 | 66% | 0.662 | S | S | * | * | | | trans | -90.6 | 70.7 | 166.7 | -93 | -170.3 | 173.8 | -177.5 | 0 | 108.7 | | |
| 34 | T | 28.5 | Very low | 32.2 | Very low | 114 Ų | 114 | 122.4 Ų | 122.4 | 70% | 0.699 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -143.4 | 139.1 | 175.4 | 13.9 | 0 | 0 | 0 | 0 | 108.5 | S32 M36 | S32-T34 VanDerWaalsContact C-N 3.33Å; S32-T34 PolarHBondContact O-N 2.86Å; T34-M36 PolarHBondContact O-N 3.27Å |
| 35 | L | 30.4 | Very low | 32.9 | Very low | 171 Ų | 171 | 123.2 Ų | 123.2 | 90% | 0.895 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 119.2 | 178.9 | -71.9 | 79.9 | 0 | 0 | 0 | 108.5 | | |
| 36 | M | 30.5 | Very low | 33.5 | Very low | 122 Ų | 122 | 122.2 Ų | 122.2 | 60% | 0.601 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 140.4 | 159.9 | -74.7 | 179.8 | 65 | 0 | 0 | 108.6 | T34 D40 | T34-M36 PolarHBondContact O-N 3.27Å; M36-D40 HydrophobicContact CE-CB 3.62Å |
| 37 | S | 31.7 | Very low | 34.2 | Very low | 64 Ų | 64 | 122.1 Ų | 122.1 | 45% | 0.448 | 65% | 0.645 | S | S | . | * | P | Polyproline II helix | trans | -70.2 | 156.7 | 174.9 | 84.2 | 0 | 0 | 0 | 0 | 109.9 | G39 D40 | S37-G39 PolarHBondContact O-N 3.19Å; S37-G39 VanDerWaalsContact O-N 3.1Å; S37-G39 PolarHBondContact OG-N 3.29Å; S37-D40 VanDerWaalsContact CB-OD2 3.32Å; S37-D40 WeakPolarHBondContact CB-OD2 3.5Å; S37-D40 PolarHBondContact N-OD2 3.04Å; S37-D40 VanDerWaalsContact N-OD2 3.14Å; S37-D40 PolarHBondContact O-N 3.42Å; S37-D40 PolarHBondContact OG-N 3.26Å; S37-D40 PolarHBondContact OG-OD2 3.27Å |
| 38 | N | 36.2 | Very low | 34.9 | Very low | 157 Ų | 157 | 122.7 Ų | 122.7 | 84% | 0.84 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -18.2 | 174.1 | -69.7 | -26.2 | 0 | 0 | 0 | 112.6 | T41 | N38-T41 PolarHBondContact O-OG1 2.94Š|
| 39 | G | 37.5 | Very low | 35.6 | Very low | 45 Ų | 45 | 122.4 Ų | 122.4 | 46% | 0.464 | 63% | 0.628 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.5 | -32.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | S37 T41 S42 | S37-G39 PolarHBondContact O-N 3.19Å; S37-G39 VanDerWaalsContact O-N 3.1Å; S37-G39 PolarHBondContact OG-N 3.29Å; G39-T41 VanDerWaalsContact C-N 3.31Å; G39-T41 PolarHBondContact O-N 2.99Å; G39-S42 PolarHBondContact O-OG 3.34Å |
| 40 | D | 37.4 | Very low | 36 | Very low | 82 Ų | 82 | 121 Ų | 121 | 44% | 0.439 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -72.6 | -28.2 | -177.8 | -57.2 | -66 | 0 | 0 | 0 | 112.1 | M36 S37 S42 F44 | M36-D40 HydrophobicContact CE-CB 3.62Å; S37-D40 VanDerWaalsContact CB-OD2 3.32Å; S37-D40 WeakPolarHBondContact CB-OD2 3.5Å; S37-D40 PolarHBondContact N-OD2 3.04Å; S37-D40 VanDerWaalsContact N-OD2 3.14Å; S37-D40 PolarHBondContact O-N 3.42Å; S37-D40 PolarHBondContact OG-N 3.26Å; S37-D40 PolarHBondContact OG-OD2 3.27Å; D40-S42 PolarHBondContact O-N 3.29Å; D40-F44 PolarHBondContact O-N 3.13Å; D40-F44 VanDerWaalsContact O-N 3.14Å |
| 41 | T | 37.1 | Very low | 36.4 | Very low | 76 Ų | 76 | 117.4 Ų | 117.4 | 47% | 0.466 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -65.6 | -30.2 | -179.9 | 20.3 | 0 | 0 | 0 | 0 | 114.5 | N38 G39 V45 | N38-T41 PolarHBondContact O-OG1 2.94Å; G39-T41 VanDerWaalsContact C-N 3.31Å; G39-T41 PolarHBondContact O-N 2.99Å; T41-V45 WeakPolarHBondContact O-CG2 2.85Å |
| 42 | S | 35.8 | Very low | 36.6 | Very low | 78 Ų | 78 | 117.4 Ų | 117.4 | 55% | 0.545 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -75.9 | -48.2 | 175.8 | 52.2 | 0 | 0 | 0 | 0 | 111.2 | G39 D40 F44 V45 E46 | G39-S42 PolarHBondContact O-OG 3.34Å; D40-S42 PolarHBondContact O-N 3.29Å; S42-F44 VanDerWaalsContact C-N 3.25Å; S42-F44 PolarHBondContact O-N 3.16Å; S42-V45 PolarHBondContact O-N 2.79Å; S42-V45 VanDerWaalsContact O-N 3.09Å; S42-E46 PolarHBondContact O-N 3.3Å |
| 43 | A | 39.2 | Very low | 37 | Very low | 51 Ų | 51 | 116.8 Ų | 116.8 | 42% | 0.421 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -59.3 | -33.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | K47 | A43-K47 WeakPolarHBondContact O-CB 3.15Å; A43-K47 PolarHBondContact O-N 3.43Å; A43-K47 VanDerWaalsContact O-N 3.11Å |
| 44 | F | 37.5 | Very low | 37.4 | Very low | 125 Ų | 125 | 114.4 Ų | 114.4 | 55% | 0.548 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -68.5 | -40.5 | 175.3 | -165.5 | -89.8 | 0 | 0 | 0 | 112.7 | D40 S42 W48 | D40-F44 PolarHBondContact O-N 3.13Å; D40-F44 VanDerWaalsContact O-N 3.14Å; S42-F44 VanDerWaalsContact C-N 3.25Å; S42-F44 PolarHBondContact O-N 3.16Å; F44-W48 AromaticContact CE1-CD1 3.69Å; F44-W48 AromaticContact CE1-NE1 3.64Å; F44-W48 AromaticContact CZ-NE1 3.78Å; F44-W48 PolarHBondContact O-N 3.31Å |
| 45 | V | 44.9 | Very low | 37.8 | Very low | 78 Ų | 78 | 113.5 Ų | 113.5 | 47% | 0.473 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -69.6 | -42.4 | 177.2 | 173 | 0 | 0 | 0 | 0 | 111 | T41 S42 K47 W48 Q49 | T41-V45 WeakPolarHBondContact O-CG2 2.85Å; S42-V45 PolarHBondContact O-N 2.79Å; S42-V45 VanDerWaalsContact O-N 3.09Å; V45-K47 PolarHBondContact O-N 3.38Å; V45-W48 PolarHBondContact O-N 3.34Å; V45-W48 VanDerWaalsContact O-N 3.07Å; V45-Q49 PolarHBondContact O-N 3.28Å |
| 46 | E | 42.6 | Very low | 38.2 | Very low | 122 Ų | 122 | 115.8 Ų | 115.8 | 57% | 0.57 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -65.8 | -36.8 | 180 | -167.3 | 171.5 | -148 | 0 | 0 | 112.2 | S42 W48 Q49 N50 | S42-E46 PolarHBondContact O-N 3.3Å; E46-W48 VanDerWaalsContact C-N 3.3Å; E46-W48 PolarHBondContact O-N 3.04Å; E46-Q49 PolarHBondContact O-N 2.95Å; E46-N50 PolarHBondContact O-N 3.44Å; E46-N50 PolarHBondContact O-ND2 2.99Å |
| 47 | K | 46 | Very low | 38.7 | Very low | 171 Ų | 171 | 118 Ų | 118 | 74% | 0.743 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -65 | -29 | 170.3 | -87.1 | -177 | 174.4 | 175 | 0 | 113.7 | A43 V45 | A43-K47 WeakPolarHBondContact O-CB 3.15Å; A43-K47 PolarHBondContact O-N 3.43Å; A43-K47 VanDerWaalsContact O-N 3.11Å; V45-K47 PolarHBondContact O-N 3.38Å |
| 48 | W | 43 | Very low | 39.4 | Very low | 141 Ų | 141 | 117.6 Ų | 117.6 | 53% | 0.534 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -80 | -33.9 | 176.1 | -96.8 | 87 | 0 | 0 | 0 | 113.2 | F44 V45 E46 | F44-W48 AromaticContact CE1-CD1 3.69Å; F44-W48 AromaticContact CE1-NE1 3.64Å; F44-W48 AromaticContact CZ-NE1 3.78Å; F44-W48 PolarHBondContact O-N 3.31Å; V45-W48 PolarHBondContact O-N 3.34Å; V45-W48 VanDerWaalsContact O-N 3.07Å; E46-W48 VanDerWaalsContact C-N 3.3Å; E46-W48 PolarHBondContact O-N 3.04Å |
| 49 | Q | 44.4 | Very low | 40 | Very low | 142 Ų | 142 | 117 Ų | 117 | 66% | 0.664 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -71.9 | -32.9 | 176.6 | -73 | -178.4 | -20.2 | 0 | 0 | 112.8 | V45 E46 K51 | V45-Q49 PolarHBondContact O-N 3.28Å; E46-Q49 PolarHBondContact O-N 2.95Å; Q49-K51 VanDerWaalsContact C-N 3.32Å; Q49-K51 PolarHBondContact O-N 2.88Å |
| 50 | N | 39.3 | Very low | 40.6 | Very low | 121 Ų | 121 | 117.2 Ų | 117.2 | 65% | 0.647 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -6 | -179.3 | -78 | -76.7 | 0 | 0 | 0 | 115.1 | E46 N52 | E46-N50 PolarHBondContact O-N 3.44Å; E46-N50 PolarHBondContact O-ND2 2.99Å; N50-N52 PolarHBondContact O-N 3.28Å |
| 51 | K | 38.4 | Very low | 41.2 | Very low | 162 Ų | 162 | 116.1 Ų | 116.1 | 70% | 0.704 | 61% | 0.606 | S | S | * | * | | | trans | -89.3 | 77.9 | 172.7 | -83.5 | -163.5 | 170 | -169.2 | 0 | 112.1 | Q49 A53 | Q49-K51 VanDerWaalsContact C-N 3.32Å; Q49-K51 PolarHBondContact O-N 2.88Å; K51-A53 PolarHBondContact O-N 3.03Å |
| 52 | N | 31.4 | Very low | 41.7 | Very low | 163 Ų | 163 | 117 Ų | 117 | 87% | 0.872 | 60% | 0.6 | S | S | * | * | | | trans | -67.4 | 88.9 | 164.4 | -77.7 | -25.7 | 0 | 0 | 0 | 110.6 | N50 | N50-N52 PolarHBondContact O-N 3.28Š|
| 53 | A | 35.7 | Very low | 42.6 | Very low | 71 Ų | 71 | 119.8 Ų | 119.8 | 59% | 0.587 | 60% | 0.599 | S | S | * | * | | | trans | -121.3 | 127.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | K51 N55 | K51-A53 PolarHBondContact O-N 3.03Å; A53-N55 PolarHBondContact O-N 3.38Å |
| 54 | T | 38.2 | Very low | 43.6 | Very low | 146 Ų | 146 | 122.3 Ų | 122.3 | 90% | 0.896 | 61% | 0.605 | S | S | * | * | | | trans | -80 | 17.6 | -159.9 | 43.3 | 0 | 0 | 0 | 0 | 115.7 | R56 | T54-R56 PolarHBondContact O-N 2.94Å; T54-R56 VanDerWaalsContact O-N 3.13Å |
| 55 | N | 35.6 | Very low | 44.7 | Very low | 96 Ų | 96 | 119.1 Ų | 119.1 | 51% | 0.513 | 60% | 0.602 | S | S | . | * | | | trans | -75.1 | 107.4 | -173.7 | -167.2 | -17.7 | 0 | 0 | 0 | 112.2 | A53 Q57 D58 | A53-N55 PolarHBondContact O-N 3.38Å; N55-Q57 PolarHBondContact O-N 2.71Å; N55-Q57 WeakPolarHBondContact OD1-CB 3.35Å; N55-Q57 PolarHBondContact OD1-N 2.96Å; N55-Q57 VanDerWaalsContact OD1-N 3.08Å; N55-D58 PolarHBondContact O-N 3.08Å |
| 56 | R | 39.2 | Very low | 45.7 | Very low | 219 Ų | 219 | 121.4 Ų | 121.4 | 83% | 0.826 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -58.4 | -27.5 | -179.6 | -71.9 | -177.5 | 173.9 | -175.3 | -2.2 | 113.5 | T54 | T54-R56 PolarHBondContact O-N 2.94Å; T54-R56 VanDerWaalsContact O-N 3.13Å |
| 57 | Q | 40.5 | Very low | 46.9 | Very low | 169 Ų | 169 | 121.5 Ų | 121.5 | 79% | 0.79 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -70.6 | -29.4 | -176.2 | -65 | 177.7 | -34.3 | 0 | 0 | 113.2 | N55 K59 | N55-Q57 PolarHBondContact O-N 2.71Å; N55-Q57 WeakPolarHBondContact OD1-CB 3.35Å; N55-Q57 PolarHBondContact OD1-N 2.96Å; N55-Q57 VanDerWaalsContact OD1-N 3.08Å; Q57-K59 PolarHBondContact O-N 3.39Å |
| 58 | D | 47.9 | Very low | 47.9 | Very low | 54 Ų | 54 | 117 Ų | 117 | 29% | 0.289 | 59% | 0.593 | S | S | . | * | G | 310 helix | trans | -73.1 | -9 | -175.4 | -168.7 | 34.8 | 0 | 0 | 0 | 113.7 | N55 G60 A61 R62 | N55-D58 PolarHBondContact O-N 3.08Å; D58-G60 VanDerWaalsContact C-N 3.25Å; D58-G60 PolarHBondContact O-N 2.95Å; D58-A61 PolarHBondContact O-N 3.04Å; D58-R62 WeakPolarHBondContact O-CG 3.21Å; D58-R62 PolarHBondContact O-N 3.49Å; D58-R62 VanDerWaalsContact O-N 3.14Å; D58-R62 IonicContact OD2-CZ 2.76Å; D58-R62 IonicContact OD2-NE 3.18Å; D58-R62 PolarHBondContact OD2-NE 3.42Å; D58-R62 IonicContact OD2-NH2 2.72Å; D58-R62 PolarHBondContact OD2-NH2 3.1Å |
| 59 | K | 47.8 | Very low | 48.8 | Very low | 145 Ų | 145 | 114 Ų | 114 | 63% | 0.63 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -59.7 | -33.3 | 177.5 | -72.9 | -174.8 | 175.2 | -175.9 | 0 | 113 | Q57 R63 | Q57-K59 PolarHBondContact O-N 3.39Å; K59-R63 WeakPolarHBondContact O-CB 3.49Å; K59-R63 WeakPolarHBondContact O-CG 3.38Å; K59-R63 PolarHBondContact O-N 3Å; K59-R63 VanDerWaalsContact O-N 3.15Å |
| 60 | G | 50.2 | Low | 50 | Low | 49 Ų | 49 | 111.6 Ų | 111.6 | 51% | 0.505 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -67 | -52.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D58 R62 R63 L64 | D58-G60 VanDerWaalsContact C-N 3.25Å; D58-G60 PolarHBondContact O-N 2.95Å; G60-R62 PolarHBondContact O-N 2.99Å; G60-R63 PolarHBondContact O-N 3.22Å; G60-L64 PolarHBondContact O-N 3.01Å |
| 61 | A | 49.8 | Very low | 51.1 | Low | 60 Ų | 60 | 110.4 Ų | 110.4 | 50% | 0.496 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -59.6 | -43.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D58 R63 L64 A65 | D58-A61 PolarHBondContact O-N 3.04Å; A61-R63 PolarHBondContact O-N 3.28Å; A61-L64 PolarHBondContact O-N 2.88Å; A61-A65 WeakPolarHBondContact O-CB 3.48Å; A61-A65 PolarHBondContact O-N 2.9Å |
| 62 | R | 48.2 | Very low | 52.2 | Low | 93 Ų | 93 | 108.5 Ų | 108.5 | 35% | 0.351 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.3 | -42.3 | 175.3 | -67.6 | -177.3 | -167.3 | -150.9 | 3.3 | 112.7 | D58 G60 L66 | D58-R62 WeakPolarHBondContact O-CG 3.21Å; D58-R62 PolarHBondContact O-N 3.49Å; D58-R62 VanDerWaalsContact O-N 3.14Å; D58-R62 IonicContact OD2-CZ 2.76Å; D58-R62 IonicContact OD2-NE 3.18Å; D58-R62 PolarHBondContact OD2-NE 3.42Å; D58-R62 IonicContact OD2-NH2 2.72Å; D58-R62 PolarHBondContact OD2-NH2 3.1Å; G60-R62 PolarHBondContact O-N 2.99Å; R62-L66 WeakPolarHBondContact O-CG 3.43Å; R62-L66 PolarHBondContact O-N 3.32Å; R62-L66 VanDerWaalsContact O-N 3.09Å |
| 63 | R | 54.3 | Low | 53.5 | Low | 138 Ų | 138 | 108.4 Ų | 108.4 | 52% | 0.521 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.5 | -43 | 175.7 | -79.3 | 179.9 | 170.2 | -167.8 | -2.4 | 111.8 | K59 G60 A61 L66 F67 | K59-R63 WeakPolarHBondContact O-CB 3.49Å; K59-R63 WeakPolarHBondContact O-CG 3.38Å; K59-R63 PolarHBondContact O-N 3Å; K59-R63 VanDerWaalsContact O-N 3.15Å; G60-R63 PolarHBondContact O-N 3.22Å; A61-R63 PolarHBondContact O-N 3.28Å; R63-L66 PolarHBondContact O-N 3.09Å; R63-F67 WeakPolarHBondContact O-CB 3.44Å; R63-F67 PolarHBondContact O-N 3.14Å |
| 64 | L | 61.2 | Low | 54.2 | Low | 103 Ų | 103 | 111.3 Ų | 111.3 | 54% | 0.539 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.8 | -41.8 | 177.2 | -178.1 | 60.7 | 0 | 0 | 0 | 112.2 | G60 A61 F67 I68 | G60-L64 PolarHBondContact O-N 3.01Å; A61-L64 PolarHBondContact O-N 2.88Å; L64-F67 WeakPolarHBondContact O-CB 3.41Å; L64-F67 PolarHBondContact O-N 2.85Å; L64-I68 HydrophobicContact CD1-CD1 4.1Å; L64-I68 HydrophobicContact CD1-CG1 4.37Å; L64-I68 HydrophobicContact CG-CD1 3.98Å; L64-I68 WeakPolarHBondContact O-CG1 3.46Å; L64-I68 PolarHBondContact O-N 3.47Å |
| 65 | A | 59.6 | Low | 54.4 | Low | 59 Ų | 59 | 108.1 Ų | 108.1 | 49% | 0.488 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.4 | -45.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | A61 F67 I68 E69 | A61-A65 WeakPolarHBondContact O-CB 3.48Å; A61-A65 PolarHBondContact O-N 2.9Å; A65-F67 VanDerWaalsContact C-N 3.35Å; A65-F67 PolarHBondContact O-N 3.33Å; A65-I68 PolarHBondContact O-N 3.28Å; A65-E69 PolarHBondContact O-N 2.91Å |
| 66 | L | 67.3 | Low | 54.8 | Low | 126 Ų | 126 | 112 Ų | 112 | 66% | 0.66 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.8 | -37.7 | 175 | -72.3 | 169 | 0 | 0 | 0 | 112.4 | R62 R63 E69 H70 | R62-L66 WeakPolarHBondContact O-CG 3.43Å; R62-L66 PolarHBondContact O-N 3.32Å; R62-L66 VanDerWaalsContact O-N 3.09Å; R63-L66 PolarHBondContact O-N 3.09Å; L66-E69 PolarHBondContact O-N 3.47Å; L66-H70 WeakPolarHBondContact O-CB 3.42Å; L66-H70 PolarHBondContact O-N 3.36Å |
| 67 | F | 66.6 | Low | 55.1 | Low | 124 Ų | 124 | 105.4 Ų | 105.4 | 54% | 0.544 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.7 | -46.1 | 174.9 | -178.5 | -93.3 | 0 | 0 | 0 | 111.7 | R63 L64 A65 H70 F71 | R63-F67 WeakPolarHBondContact O-CB 3.44Å; R63-F67 PolarHBondContact O-N 3.14Å; L64-F67 WeakPolarHBondContact O-CB 3.41Å; L64-F67 PolarHBondContact O-N 2.85Å; A65-F67 VanDerWaalsContact C-N 3.35Å; A65-F67 PolarHBondContact O-N 3.33Å; F67-H70 WeakPolarHBondContact O-CB 3.47Å; F67-H70 PolarHBondContact O-N 3.26Å; F67-H70 VanDerWaalsContact O-N 3.16Å; F67-F71 HydrophobicContact CD1-CD2 4.12Å; F67-F71 HydrophobicContact CD1-CE2 4.35Å; F67-F71 HydrophobicContact CD2-CE2 4.36Å; F67-F71 AromaticContact CE1-CD2 3.84Å; F67-F71 HydrophobicContact CE1-CD2 3.84Å; F67-F71 AromaticContact CE1-CE2 3.7Å; F67-F71 HydrophobicContact CE1-CE2 3.7Å; F67-F71 HydrophobicContact CE2-CD2 4.3Å; F67-F71 AromaticContact CE2-CE2 3.71Å; F67-F71 HydrophobicContact CE2-CE2 3.71Å; F67-F71 HydrophobicContact CG-CD2 4.47Å; F67-F71 AromaticContact CZ-CD2 3.94Å; F67-F71 HydrophobicContact CZ-CD2 3.94Å; F67-F71 AromaticContact CZ-CE2 3.35Å; F67-F71 HydrophobicContact CZ-CE2 3.35Å; F67-F71 HydrophobicContact CZ-CZ 4.13Å; F67-F71 PolarHBondContact O-N 3.09Å |
| 68 | I | 68.2 | Low | 54.9 | Low | 77 Ų | 77 | 101.5 Ų | 101.5 | 40% | 0.395 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.1 | -40.8 | 176.3 | -68.2 | 166.5 | 0 | 0 | 0 | 111.2 | L64 A65 H70 F71 K72 | L64-I68 HydrophobicContact CD1-CD1 4.1Å; L64-I68 HydrophobicContact CD1-CG1 4.37Å; L64-I68 HydrophobicContact CG-CD1 3.98Å; L64-I68 WeakPolarHBondContact O-CG1 3.46Å; L64-I68 PolarHBondContact O-N 3.47Å; A65-I68 PolarHBondContact O-N 3.28Å; I68-H70 VanDerWaalsContact C-N 3.35Å; I68-F71 PolarHBondContact O-N 3.27Å; I68-K72 HydrophobicContact CG2-CD 4.27Å; I68-K72 WeakPolarHBondContact O-CG 3.43Å; I68-K72 PolarHBondContact O-N 3.36Å |
| 69 | E | 62.1 | Low | 54.2 | Low | 76 Ų | 76 | 102.2 Ų | 102.2 | 36% | 0.355 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 171.4 | -109.7 | -66.5 | 100.8 | 0 | 0 | 111.7 | A65 L66 F71 K72 R73 | A65-E69 PolarHBondContact O-N 2.91Å; L66-E69 PolarHBondContact O-N 3.47Å; E69-F71 VanDerWaalsContact C-N 3.34Å; E69-F71 PolarHBondContact O-N 3.29Å; E69-K72 PolarHBondContact O-N 3.16Å; E69-R73 WeakPolarHBondContact O-CG 3.25Å; E69-R73 PolarHBondContact O-N 3.03Å; E69-R73 IonicContact OE2-CZ 2.61Å; E69-R73 IonicContact OE2-NE 2.73Å; E69-R73 PolarHBondContact OE2-NE 3.01Å; E69-R73 IonicContact OE2-NH2 3.18Å; E69-R73 PolarHBondContact OE2-NH2 3.24Å |
| 70 | H | 67.6 | Low | 53.4 | Low | 93 Ų | 93 | 100.6 Ų | 100.6 | 43% | 0.431 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.3 | -39.7 | 177.9 | -165.4 | -3.1 | 0 | 0 | 0 | 112 | L66 F67 I68 R73 R74 | L66-H70 WeakPolarHBondContact O-CB 3.42Å; L66-H70 PolarHBondContact O-N 3.36Å; F67-H70 WeakPolarHBondContact O-CB 3.47Å; F67-H70 PolarHBondContact O-N 3.26Å; F67-H70 VanDerWaalsContact O-N 3.16Å; I68-H70 VanDerWaalsContact C-N 3.35Å; H70-R73 PolarHBondContact O-N 3.43Å; H70-R74 PolarHBondContact CE1-NE 3.32Å; H70-R74 PolarHBondContact CE1-NH2 3.14Å; H70-R74 PolarHBondContact ND1-NE 2.87Å; H70-R74 PolarHBondContact NE2-NE 3.04Å; H70-R74 PolarHBondContact NE2-NH2 2.6Å; H70-R74 WeakPolarHBondContact O-CG 3.27Å; H70-R74 PolarHBondContact O-N 3.31Å |
| 71 | F | 62.9 | Low | 52.4 | Low | 96 Ų | 96 | 102.7 Ų | 102.7 | 42% | 0.421 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.1 | -42.6 | 173.2 | -94 | -96.5 | 0 | 0 | 0 | 112.3 | F67 I68 E69 R73 R74 A75 | F67-F71 HydrophobicContact CD1-CD2 4.12Å; F67-F71 HydrophobicContact CD1-CE2 4.35Å; F67-F71 HydrophobicContact CD2-CE2 4.36Å; F67-F71 AromaticContact CE1-CD2 3.84Å; F67-F71 HydrophobicContact CE1-CD2 3.84Å; F67-F71 AromaticContact CE1-CE2 3.7Å; F67-F71 HydrophobicContact CE1-CE2 3.7Å; F67-F71 HydrophobicContact CE2-CD2 4.3Å; F67-F71 AromaticContact CE2-CE2 3.71Å; F67-F71 HydrophobicContact CE2-CE2 3.71Å; F67-F71 HydrophobicContact CG-CD2 4.47Å; F67-F71 AromaticContact CZ-CD2 3.94Å; F67-F71 HydrophobicContact CZ-CD2 3.94Å; F67-F71 AromaticContact CZ-CE2 3.35Å; F67-F71 HydrophobicContact CZ-CE2 3.35Å; F67-F71 HydrophobicContact CZ-CZ 4.13Å; F67-F71 PolarHBondContact O-N 3.09Å; I68-F71 PolarHBondContact O-N 3.27Å; E69-F71 VanDerWaalsContact C-N 3.34Å; E69-F71 PolarHBondContact O-N 3.29Å; F71-R73 VanDerWaalsContact C-N 3.29Å; F71-R73 PolarHBondContact O-N 3.28Å; F71-R74 PolarHBondContact O-N 3.5Å; F71-A75 WeakPolarHBondContact O-CB 3.5Å; F71-A75 PolarHBondContact O-N 3.23Å |
| 72 | K | 62.9 | Low | 51.6 | Low | 121 Ų | 121 | 106.1 Ų | 106.1 | 53% | 0.526 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60 | -37.1 | 173.1 | -74.6 | 173 | 179.4 | 176.9 | 0 | 112.5 | I68 E69 K76 | I68-K72 HydrophobicContact CG2-CD 4.27Å; I68-K72 WeakPolarHBondContact O-CG 3.43Å; I68-K72 PolarHBondContact O-N 3.36Å; E69-K72 PolarHBondContact O-N 3.16Å; K72-K76 WeakPolarHBondContact O-CG 3.36Å; K72-K76 PolarHBondContact O-N 3.3Å |
| 73 | R | 57.7 | Low | 50.9 | Low | 161 Ų | 161 | 110.5 Ų | 110.5 | 61% | 0.608 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -69.1 | -46.6 | 174.2 | -69.4 | 176.1 | -166 | -153.4 | 2.4 | 112 | E69 H70 F71 A75 K76 S77 | E69-R73 WeakPolarHBondContact O-CG 3.25Å; E69-R73 PolarHBondContact O-N 3.03Å; E69-R73 IonicContact OE2-CZ 2.61Å; E69-R73 IonicContact OE2-NE 2.73Å; E69-R73 PolarHBondContact OE2-NE 3.01Å; E69-R73 IonicContact OE2-NH2 3.18Å; E69-R73 PolarHBondContact OE2-NH2 3.24Å; H70-R73 PolarHBondContact O-N 3.43Å; F71-R73 VanDerWaalsContact C-N 3.29Å; F71-R73 PolarHBondContact O-N 3.28Å; R73-A75 PolarHBondContact O-N 2.98Å; R73-K76 CarbonylContact O-C 3.31Å; R73-K76 PolarHBondContact O-N 3.42Å; R73-K76 VanDerWaalsContact O-N 3.16Å; R73-S77 PolarHBondContact O-N 2.89Å; R73-S77 VanDerWaalsContact O-N 3.07Å; R73-S77 PolarHBondContact O-OG 2.73Å |
| 74 | R | 50 | Low | 49.7 | Very low | 133 Ų | 133 | 108.2 Ų | 108.2 | 50% | 0.502 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.4 | -42.4 | 176.5 | -71.5 | -173.1 | -153 | -157.6 | 2.2 | 112.2 | H70 F71 K76 S77 A78 | H70-R74 PolarHBondContact CE1-NE 3.32Å; H70-R74 PolarHBondContact CE1-NH2 3.14Å; H70-R74 PolarHBondContact ND1-NE 2.87Å; H70-R74 PolarHBondContact NE2-NE 3.04Å; H70-R74 PolarHBondContact NE2-NH2 2.6Å; H70-R74 WeakPolarHBondContact O-CG 3.27Å; H70-R74 PolarHBondContact O-N 3.31Å; F71-R74 PolarHBondContact O-N 3.5Å; R74-K76 PolarHBondContact O-N 3.33Å; R74-S77 WeakPolarHBondContact CA-OG 3.41Å; R74-S77 CarbonylContact O-C 3.57Å; R74-S77 PolarHBondContact O-N 2.86Å; R74-S77 PolarHBondContact O-OG 3.45Å; R74-A78 WeakPolarHBondContact O-CB 3.32Å; R74-A78 PolarHBondContact O-N 3.2Å |
| 75 | A | 43.1 | Very low | 48.1 | Very low | 79 Ų | 79 | 109 Ų | 109 | 65% | 0.653 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -61.3 | -30.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | F71 R73 | F71-A75 WeakPolarHBondContact O-CB 3.5Å; F71-A75 PolarHBondContact O-N 3.23Å; R73-A75 PolarHBondContact O-N 2.98Å |
| 76 | K | 44.9 | Very low | 46.6 | Very low | 177 Ų | 177 | 115.9 Ų | 115.9 | 77% | 0.77 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -82.2 | -13.7 | 173.1 | -74.2 | 179.5 | 177 | -177.3 | 0 | 114.5 | K72 R73 R74 | K72-K76 WeakPolarHBondContact O-CG 3.36Å; K72-K76 PolarHBondContact O-N 3.3Å; R73-K76 CarbonylContact O-C 3.31Å; R73-K76 PolarHBondContact O-N 3.42Å; R73-K76 VanDerWaalsContact O-N 3.16Å; R74-K76 PolarHBondContact O-N 3.33Å |
| 77 | S | 43.5 | Very low | 44.6 | Very low | 81 Ų | 81 | 120.8 Ų | 120.8 | 57% | 0.566 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -107.6 | -4.7 | 179.1 | 73.4 | 0 | 0 | 0 | 0 | 114.1 | R73 R74 D79 | R73-S77 PolarHBondContact O-N 2.89Å; R73-S77 VanDerWaalsContact O-N 3.07Å; R73-S77 PolarHBondContact O-OG 2.73Å; R74-S77 WeakPolarHBondContact CA-OG 3.41Å; R74-S77 CarbonylContact O-C 3.57Å; R74-S77 PolarHBondContact O-N 2.86Å; R74-S77 PolarHBondContact O-OG 3.45Å; S77-D79 VanDerWaalsContact C-N 3.35Å |
| 78 | A | 37.7 | Very low | 42.7 | Very low | 86 Ų | 86 | 123 Ų | 123 | 71% | 0.711 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -79 | -12.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | R74 | R74-A78 WeakPolarHBondContact O-CB 3.32Å; R74-A78 PolarHBondContact O-N 3.2Å |
| 79 | D | 31.7 | Very low | 40.7 | Very low | 70 Ų | 70 | 122.5 Ų | 122.5 | 37% | 0.374 | 65% | 0.65 | S | S | . | * | | | trans | -136.3 | 94.5 | 170.2 | -175.2 | 5.7 | 0 | 0 | 0 | 111.8 | S77 S81 N82 | S77-D79 VanDerWaalsContact C-N 3.35Å; D79-S81 VanDerWaalsContact C-N 3.33Å; D79-S81 WeakPolarHBondContact OD1-CA 3.06Å; D79-S81 WeakPolarHBondContact OD1-CB 3.19Å; D79-S81 PolarHBondContact OD1-N 3.09Å; D79-S81 PolarHBondContact OD1-OG 2.74Å; D79-N82 PolarHBondContact OD1-N 2.64Å; D79-N82 WeakPolarHBondContact OD2-CB 3.48Å; D79-N82 PolarHBondContact OD2-ND2 2.98Å |
| 80 | P | 31.3 | Very low | 39.1 | Very low | 111 Ų | 111 | 124.1 Ų | 124.1 | 72% | 0.721 | 66% | 0.66 | S | S | * | * | | | trans | -82.3 | -7.2 | 166.8 | -11.7 | 29.7 | 0 | 0 | 0 | 113.7 | | |
| 81 | S | 30.9 | Very low | 37.1 | Very low | 92 Ų | 92 | 127.8 Ų | 127.8 | 64% | 0.643 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -90.3 | -29.5 | -163.1 | 70.3 | 0 | 0 | 0 | 0 | 114.7 | D79 K83 | D79-S81 VanDerWaalsContact C-N 3.33Å; D79-S81 WeakPolarHBondContact OD1-CA 3.06Å; D79-S81 WeakPolarHBondContact OD1-CB 3.19Å; D79-S81 PolarHBondContact OD1-N 3.09Å; D79-S81 PolarHBondContact OD1-OG 2.74Å; S81-K83 PolarHBondContact O-N 3.4Å |
| 82 | N | 31.6 | Very low | 35.5 | Very low | 132 Ų | 132 | 127.4 Ų | 127.4 | 71% | 0.706 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | 17.7 | -177.9 | -79.7 | -55.1 | 0 | 0 | 0 | 115.7 | D79 | D79-N82 PolarHBondContact OD1-N 2.64Å; D79-N82 WeakPolarHBondContact OD2-CB 3.48Å; D79-N82 PolarHBondContact OD2-ND2 2.98Å |
| 83 | K | 33.4 | Very low | 33.7 | Very low | 186 Ų | 186 | 131.4 Ų | 131.4 | 81% | 0.809 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | 7.8 | -177.8 | -78.7 | -175.3 | 175.1 | 175.4 | 0 | 116 | S81 | S81-K83 PolarHBondContact O-N 3.4Š|
| 84 | A | 28.8 | Very low | 32.3 | Very low | 89 Ų | 89 | 130.5 Ų | 130.5 | 74% | 0.736 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -105.2 | -3.6 | -170.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 85 | V | 28.4 | Very low | 31.2 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 73% | 0.733 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -135.6 | 47.5 | -167.1 | -157.9 | 0 | 0 | 0 | 0 | 113.8 | | |
| 86 | F | 28.1 | Very low | 30.6 | Very low | 202 Ų | 202 | 135.4 Ų | 135.4 | 89% | 0.886 | 73% | 0.73 | S | S | * | * | | | trans | -144.1 | 51.7 | 163.8 | -81.9 | -65.7 | 0 | 0 | 0 | 112.2 | | |
| 87 | Y | 25.5 | Very low | 29.8 | Very low | 229 Ų | 229 | 132.6 Ų | 132.6 | 90% | 0.898 | 73% | 0.727 | S | S | * | * | | | trans | -125.5 | 86.6 | 161.9 | -105 | -88.4 | 0 | 0 | 0 | 108.3 | | |
| 88 | N | 27.1 | Very low | 29 | Very low | 170 Ų | 170 | 134.6 Ų | 134.6 | 91% | 0.909 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -167.8 | 145.6 | 153.8 | -101 | -24.3 | 0 | 0 | 0 | 110.4 | | |
| 89 | G | 26 | Very low | 28.4 | Very low | 67 Ų | 67 | 136.6 Ų | 136.6 | 69% | 0.691 | 74% | 0.737 | S | S | * | * | | | trans | -68.5 | 143.7 | -155.4 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 90 | I | 28.5 | Very low | 28.1 | Very low | 110 Ų | 110 | 139.5 Ų | 139.5 | 56% | 0.564 | 76% | 0.758 | S | S | * | * | | | | -119.5 | 131.8 | 124.8 | -76 | 94.1 | 0 | 0 | 0 | 106.7 | Q481 | I90-Q481 HydrophobicContact CD1-CG 4.45Å; I90-Q481 HydrophobicContact CG1-CG 4.09Å |
| 91 | Q | 26.2 | Very low | 28 | Very low | 170 Ų | 170 | 139.9 Ų | 139.9 | 79% | 0.794 | 75% | 0.754 | S | S | * | * | | | trans | -83.3 | 145.1 | 168.7 | -68.7 | 179 | -11.1 | 0 | 0 | 109.7 | | |
| 92 | S | 27.9 | Very low | 27.9 | Very low | 89 Ų | 89 | 142.3 Ų | 142.3 | 62% | 0.622 | 76% | 0.758 | S | S | * | * | | | trans | -139.4 | 125.4 | 148.6 | -171.9 | 0 | 0 | 0 | 0 | 108.4 | | |
| 93 | R | 25.5 | Very low | 27.9 | Very low | 204 Ų | 204 | 142.7 Ų | 142.7 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | | | trans | -77.2 | 147.7 | 175 | -63.8 | 173.7 | 177.4 | 169.3 | -2.9 | 108.4 | | |
| 94 | N | 29.1 | Very low | 27.7 | Very low | 142 Ų | 142 | 140.6 Ų | 140.6 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | | | | 175.2 | 112.8 | 124.6 | -85.4 | -24.7 | 0 | 0 | 0 | 111.8 | | |
| 95 | N | 26 | Very low | 27.7 | Very low | 142 Ų | 142 | 141.8 Ų | 141.8 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | | | trans | 44.2 | 100.4 | 137.3 | -51.4 | -5.5 | 0 | 0 | 0 | 118.5 | | |
| 96 | L | 30.1 | Very low | 27.8 | Very low | 173 Ų | 173 | 142.9 Ų | 142.9 | 91% | 0.906 | 76% | 0.762 | S | S | * | * | | | | -171.1 | 131.7 | 105.7 | -97.1 | 161.3 | 0 | 0 | 0 | 110.1 | | |
| 97 | V | 28.5 | Very low | 27.9 | Very low | 118 Ų | 118 | 141.5 Ų | 141.5 | 72% | 0.715 | 76% | 0.758 | S | S | * | * | | | trans | -132.8 | 137.5 | -177.9 | 174.9 | 0 | 0 | 0 | 0 | 107.6 | N99 | V97-N99 HydrophobicContact CG1-CB 3.86Å; V97-N99 VanDerWaalsContact CG1-N 3.34Å |
| 98 | P | 26.6 | Very low | 28.1 | Very low | 124 Ų | 124 | 136.8 Ų | 136.8 | 81% | 0.805 | 75% | 0.748 | S | S | * | * | | | | -122.7 | 125.9 | 121.6 | -2.5 | 22.7 | 0 | 0 | 0 | 110.9 | | |
| 99 | N | 25 | Very low | 28 | Very low | 127 Ų | 127 | 138.8 Ų | 138.8 | 68% | 0.679 | 74% | 0.744 | S | S | * | * | | | trans | -104.4 | 95.6 | 176.4 | -178.5 | 22.8 | 0 | 0 | 0 | 108.6 | V97 N101 | V97-N99 HydrophobicContact CG1-CB 3.86Å; V97-N99 VanDerWaalsContact CG1-N 3.34Å; N99-N101 VanDerWaalsContact C-N 3.29Å; N99-N101 PolarHBondContact O-N 3.25Å |
| 100 | T | 26.6 | Very low | 28.1 | Very low | 132 Ų | 132 | 141 Ų | 141 | 81% | 0.81 | 74% | 0.744 | S | S | * | * | | | trans | -82.6 | 72.6 | -178.3 | 54.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 101 | N | 29.1 | Very low | 28 | Very low | 119 Ų | 119 | 143 Ų | 143 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | | | trans | -130.1 | 91.3 | 165.6 | -95.2 | -35 | 0 | 0 | 0 | 110.7 | N99 | N99-N101 VanDerWaalsContact C-N 3.29Å; N99-N101 PolarHBondContact O-N 3.25Å |
| 102 | I | 28.9 | Very low | 28.1 | Very low | 143 Ų | 143 | 141 Ų | 141 | 73% | 0.733 | 75% | 0.746 | S | S | * | * | | | | 61.2 | 115.3 | 126.9 | -63 | 170.5 | 0 | 0 | 0 | 117.7 | | |
| 103 | L | 31.4 | Very low | 28.1 | Very low | 140 Ų | 140 | 143.6 Ų | 143.6 | 73% | 0.733 | 75% | 0.752 | S | S | * | * | | | trans | 74 | 111.1 | 157.1 | -66.6 | 166.2 | 0 | 0 | 0 | 120.2 | | |
| 104 | N | 28 | Very low | 28.2 | Very low | 142 Ų | 142 | 137.8 Ų | 137.8 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | | | | 40.3 | 109.8 | 128.7 | -51.2 | -1.5 | 0 | 0 | 0 | 117.1 | | |
| 105 | S | 29.8 | Very low | 28.1 | Very low | 114 Ų | 114 | 138.6 Ų | 138.6 | 80% | 0.797 | 74% | 0.742 | S | S | * | * | | | | -174.7 | 142.3 | 68.7 | 35.1 | 0 | 0 | 0 | 0 | 113.8 | | |
| 106 | N | 29.1 | Very low | 28.2 | Very low | 143 Ų | 143 | 140.6 Ų | 140.6 | 77% | 0.765 | 74% | 0.744 | S | S | * | * | | | trans | 19 | 130.6 | 149 | -64 | -3.1 | 0 | 0 | 0 | 121.9 | | |
| 107 | Q | 31.2 | Very low | 27.9 | Very low | 173 Ų | 173 | 138.6 Ų | 138.6 | 81% | 0.808 | 73% | 0.734 | S | S | * | * | | | trans | 74.2 | 151.2 | 150.5 | -61.9 | 172 | 6.7 | 0 | 0 | 118.8 | | |
| 108 | L | 29.2 | Very low | 27.8 | Very low | 131 Ų | 131 | 137.9 Ų | 137.9 | 69% | 0.686 | 73% | 0.73 | S | S | * | * | | | cis | -168.9 | 119.6 | -29.5 | -108.6 | 176.1 | 0 | 0 | 0 | 106.9 | | |
| 109 | Y | 25.4 | Very low | 27.8 | Very low | 212 Ų | 212 | 138.5 Ų | 138.5 | 83% | 0.831 | 73% | 0.727 | S | S | * | * | | | trans | 58.4 | 174.6 | 154 | -80 | -121.8 | 0 | 0 | 0 | 116.3 | | |
| 110 | T | 28.8 | Very low | 27.8 | Very low | 113 Ų | 113 | 138.9 Ų | 138.9 | 69% | 0.693 | 73% | 0.726 | S | S | * | * | | | cis | -132.3 | 176.1 | -18.1 | -23.4 | 0 | 0 | 0 | 0 | 110 | | |
| 111 | E | 26.3 | Very low | 27.9 | Very low | 152 Ų | 152 | 141.3 Ų | 141.3 | 71% | 0.71 | 72% | 0.722 | S | S | * | * | | | trans | -53.9 | -175.9 | 173.7 | -50.8 | 167 | 153.3 | 0 | 0 | 118.1 | | |
| 112 | N | 28.6 | Very low | 27.7 | Very low | 127 Ų | 127 | 145.9 Ų | 145.9 | 68% | 0.679 | 73% | 0.73 | S | S | * | * | | | trans | 79.3 | 146.7 | 151.2 | -63 | -37.9 | 0 | 0 | 0 | 118.1 | | |
| 113 | L | 27 | Very low | 27.7 | Very low | 144 Ų | 144 | 145.7 Ų | 145.7 | 75% | 0.754 | 73% | 0.729 | S | S | * | * | | | cis | -162.4 | 167.3 | -23.4 | -165.1 | 69.6 | 0 | 0 | 0 | 108.5 | | |
| 114 | S | 26.8 | Very low | 27.4 | Very low | 82 Ų | 82 | 145.9 Ų | 145.9 | 57% | 0.573 | 73% | 0.731 | S | S | * | * | | | trans | 55.2 | 122.5 | 145.5 | 57.2 | 0 | 0 | 0 | 0 | 122.9 | | |
| 115 | H | 27.7 | Very low | 27.5 | Very low | 160 Ų | 160 | 146.3 Ų | 146.3 | 74% | 0.741 | 73% | 0.728 | S | S | * | * | | | | 69.6 | 151.2 | 129.9 | -73.4 | 76.2 | 0 | 0 | 0 | 122 | | |
| 116 | F | 27.3 | Very low | 27.5 | Very low | 183 Ų | 183 | 149.2 Ų | 149.2 | 80% | 0.803 | 73% | 0.727 | S | S | * | * | | | trans | 64.2 | 159.5 | 158.7 | -66.1 | -51.7 | 0 | 0 | 0 | 117.4 | | |
| 117 | N | 25.4 | Very low | 27.7 | Very low | 131 Ų | 131 | 148.9 Ų | 148.9 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | | | cis | -151.6 | -166.9 | -39.1 | -157.6 | -4.6 | 0 | 0 | 0 | 108.4 | | |
| 118 | T | 25.4 | Very low | 27.6 | Very low | 103 Ų | 103 | 148.4 Ų | 148.4 | 63% | 0.632 | 73% | 0.733 | S | S | * | * | | | trans | -46.3 | 166.5 | 165.1 | 46.8 | 0 | 0 | 0 | 0 | 115.8 | | |
| 119 | N | 27.1 | Very low | 27.8 | Very low | 138 Ų | 138 | 146.4 Ų | 146.4 | 74% | 0.738 | 73% | 0.73 | S | S | * | * | | | trans | 94.4 | 115.1 | 172.8 | -55.4 | -42.5 | 0 | 0 | 0 | 113.5 | | |
| 120 | M | 25.5 | Very low | 28.2 | Very low | 135 Ų | 135 | 144.4 Ų | 144.4 | 67% | 0.665 | 73% | 0.728 | S | S | * | * | | | | 94.8 | 145.7 | 65.2 | -75.9 | -101.5 | -75.5 | 0 | 0 | 111.2 | | |
| 121 | Y | 27.7 | Very low | 28.4 | Very low | 183 Ų | 183 | 145.2 Ų | 145.2 | 72% | 0.718 | 73% | 0.728 | S | S | * | * | | | trans | 67.6 | 131.8 | -174.7 | -53.1 | -77.9 | 0 | 0 | 0 | 113.1 | | |
| 122 | R | 24.9 | Very low | 28.6 | Very low | 215 Ų | 215 | 145.9 Ų | 145.9 | 81% | 0.811 | 73% | 0.731 | S | S | * | * | | | cis | 73.4 | 140.4 | 44.4 | -163.2 | -155.9 | -112.1 | -172.2 | -2.3 | 111.1 | | |
| 123 | I | 29.1 | Very low | 28.6 | Very low | 139 Ų | 139 | 147 Ų | 147 | 71% | 0.713 | 74% | 0.736 | S | S | * | * | | | trans | 96.3 | 108.7 | 170.1 | -51.9 | 171.5 | 0 | 0 | 0 | 115.4 | | |
| 124 | N | 26 | Very low | 28.8 | Very low | 143 Ų | 143 | 145.8 Ų | 145.8 | 77% | 0.765 | 73% | 0.734 | S | S | * | * | | | trans | -35.7 | 155.2 | 161.1 | -44.9 | -32.6 | 0 | 0 | 0 | 116 | | |
| 125 | Q | 29.8 | Very low | 28.8 | Very low | 151 Ų | 151 | 150.1 Ų | 150.1 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | | | | -169.4 | 125 | 114.1 | -101 | 165 | 115.9 | 0 | 0 | 112.1 | | |
| 126 | K | 29 | Very low | 29 | Very low | 176 Ų | 176 | 148.8 Ų | 148.8 | 77% | 0.765 | 75% | 0.748 | S | S | * | * | | | | 63.1 | 115 | 104 | -74.4 | -176.5 | -172.1 | 166.7 | 0 | 116.2 | | |
| 127 | T | 34 | Very low | 29 | Very low | 135 Ų | 135 | 146 Ų | 146 | 83% | 0.828 | 75% | 0.746 | S | S | * | * | | | | -145.4 | 123.6 | 119.9 | 46.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 128 | N | 29.2 | Very low | 29.2 | Very low | 163 Ų | 163 | 144.1 Ų | 144.1 | 87% | 0.872 | 74% | 0.744 | S | S | * | * | | | trans | 25.5 | 144.6 | 155 | -57.4 | -13.7 | 0 | 0 | 0 | 121 | | |
| 129 | S | 33.5 | Very low | 29.2 | Very low | 90 Ų | 90 | 145.1 Ų | 145.1 | 63% | 0.629 | 75% | 0.75 | S | S | * | * | | | cis | -156.9 | 145.1 | 28 | 52.3 | 0 | 0 | 0 | 0 | 114.2 | | |
| 130 | Q | 32.9 | Very low | 29.5 | Very low | 170 Ų | 170 | 145.2 Ų | 145.2 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | | | trans | 65 | 136.6 | 152.6 | -63.7 | 165.3 | -11 | 0 | 0 | 117.5 | | |
| 131 | N | 32.7 | Very low | 29.6 | Very low | 129 Ų | 129 | 145.2 Ų | 145.2 | 69% | 0.69 | 76% | 0.763 | S | S | * | * | | | cis | -156.2 | 151.5 | -1.7 | -97.1 | -19.3 | 0 | 0 | 0 | 111.4 | | |
| 132 | H | 31.6 | Very low | 29.9 | Very low | 166 Ų | 166 | 141.4 Ų | 141.4 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | | | trans | 57.7 | 127.2 | 173.5 | -65.3 | -78.4 | 0 | 0 | 0 | 119 | | |
| 133 | L | 28.4 | Very low | 30 | Very low | 152 Ų | 152 | 136.4 Ų | 136.4 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | | | | 69.8 | 132.4 | 64 | -104.9 | 70.3 | 0 | 0 | 0 | 113.2 | | |
| 134 | V | 30.3 | Very low | 30 | Very low | 117 Ų | 117 | 136.2 Ų | 136.2 | 71% | 0.709 | 75% | 0.754 | S | S | * | * | | | cis | -138.8 | 167.5 | 20.6 | -179.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 135 | Q | 28.2 | Very low | 30.1 | Very low | 174 Ų | 174 | 136.1 Ų | 136.1 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | | | trans | -51.9 | 174.3 | 166.7 | -66.2 | 154.7 | -71.4 | 0 | 0 | 114.1 | | |
| 136 | V | 31.5 | Very low | 30 | Very low | 131 Ų | 131 | 133 Ų | 133 | 79% | 0.794 | 75% | 0.749 | S | S | * | * | | | | -154.7 | 162.7 | 55.6 | 178.9 | 0 | 0 | 0 | 0 | 113 | | |
| 137 | T | 27.2 | Very low | 30 | Very low | 124 Ų | 124 | 134.3 Ų | 134.3 | 76% | 0.761 | 75% | 0.75 | S | S | * | * | | | trans | -73.9 | -175 | 174.5 | 50.3 | 0 | 0 | 0 | 0 | 112.2 | | |
| 138 | S | 28.6 | Very low | 29.9 | Very low | 93 Ų | 93 | 135.6 Ų | 135.6 | 65% | 0.65 | 75% | 0.751 | S | S | * | * | | | cis | -165.1 | 157.2 | 29.5 | -36.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 139 | T | 26.7 | Very low | 30 | Very low | 123 Ų | 123 | 132.6 Ų | 132.6 | 76% | 0.755 | 74% | 0.743 | S | S | * | * | | | trans | 12.6 | 133.3 | 145.9 | 55.6 | 0 | 0 | 0 | 0 | 121.9 | | |
| 140 | T | 32.2 | Very low | 30 | Very low | 141 Ų | 141 | 132.5 Ų | 132.5 | 87% | 0.865 | 74% | 0.743 | S | S | * | * | | | | -175 | 175.8 | 108.4 | 29.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 141 | V | 27.5 | Very low | 29.8 | Very low | 135 Ų | 135 | 135 Ų | 135 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | | | trans | -157.9 | 161.8 | -161.7 | -177.7 | 0 | 0 | 0 | 0 | 106.8 | | |
| 142 | P | 34.9 | Very low | 29.8 | Very low | 102 Ų | 102 | 135.6 Ų | 135.6 | 66% | 0.662 | 75% | 0.745 | S | S | * | * | | | cis | -124.8 | -154.1 | -32.9 | 36.3 | -16.3 | 0 | 0 | 0 | 112.7 | | |
| 143 | T | 27.1 | Very low | 29.6 | Very low | 110 Ų | 110 | 132 Ų | 132 | 68% | 0.675 | 74% | 0.739 | S | S | * | * | | | trans | 84 | 131.1 | 145.2 | 38.7 | 0 | 0 | 0 | 0 | 123.7 | | |
| 144 | N | 27.6 | Very low | 29.8 | Very low | 135 Ų | 135 | 131.8 Ų | 131.8 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | | | trans | 76.8 | 151.5 | 143.7 | -64.1 | -4.2 | 0 | 0 | 0 | 121.4 | | |
| 145 | N | 29.3 | Very low | 29.8 | Very low | 141 Ų | 141 | 131.3 Ų | 131.3 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | | | trans | 64 | 107.1 | 164 | -60.5 | -11 | 0 | 0 | 0 | 116.5 | | |
| 146 | S | 27.4 | Very low | 29.9 | Very low | 87 Ų | 87 | 126.3 Ų | 126.3 | 61% | 0.608 | 73% | 0.729 | S | S | * | * | | | | 88.4 | 164.9 | 58.1 | 75 | 0 | 0 | 0 | 0 | 114 | | |
| 147 | Y | 29.9 | Very low | 29.8 | Very low | 203 Ų | 203 | 129.2 Ų | 129.2 | 80% | 0.796 | 73% | 0.727 | S | S | * | * | | | trans | 87 | 136.1 | 176.3 | -63.2 | -75.1 | 0 | 0 | 0 | 119.8 | | |
| 148 | L | 31.2 | Very low | 29.9 | Very low | 161 Ų | 161 | 131 Ų | 131 | 84% | 0.843 | 73% | 0.726 | S | S | * | * | | | trans | 65.5 | 142.9 | 158.3 | -57.6 | 150.7 | 0 | 0 | 0 | 115.8 | | |
| 149 | S | 31.7 | Very low | 30 | Very low | 101 Ų | 101 | 131.6 Ų | 131.6 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | | | cis | -170 | 159.9 | -8.3 | -109.2 | 0 | 0 | 0 | 0 | 107.3 | | |
| 150 | S | 32.1 | Very low | 30.3 | Very low | 88 Ų | 88 | 130.8 Ų | 130.8 | 62% | 0.615 | 72% | 0.721 | S | S | * | * | | | cis | -171.3 | 145.5 | -7.4 | -179.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 151 | R | 29.7 | Very low | 30.1 | Very low | 221 Ų | 221 | 130.5 Ų | 130.5 | 83% | 0.834 | 72% | 0.715 | S | S | * | * | | | trans | 60.2 | 156.9 | 159.8 | -72.3 | 171.5 | 168.7 | -158.9 | -3.4 | 117.9 | | |
| 152 | M | 32.5 | Very low | 30.2 | Very low | 142 Ų | 142 | 131.2 Ų | 131.2 | 70% | 0.7 | 71% | 0.713 | S | S | * | * | | | cis | -145.8 | 120.9 | -12.6 | -104 | 144.3 | 66.7 | 0 | 0 | 104.5 | | |
| 153 | S | 28.2 | Very low | 30 | Very low | 91 Ų | 91 | 133.4 Ų | 133.4 | 64% | 0.636 | 72% | 0.717 | S | S | * | * | | | | 63.8 | 106.5 | 70.1 | 75.7 | 0 | 0 | 0 | 0 | 114.8 | | |
| 154 | N | 32.6 | Very low | 30.1 | Very low | 147 Ų | 147 | 135.3 Ų | 135.3 | 79% | 0.786 | 72% | 0.724 | S | S | * | * | | | trans | 158.2 | 109.1 | 139.8 | -81.1 | 4.4 | 0 | 0 | 0 | 108.2 | | |
| 155 | S | 29.2 | Very low | 30.3 | Very low | 107 Ų | 107 | 134.8 Ų | 134.8 | 75% | 0.748 | 73% | 0.73 | S | S | * | * | | | | 78 | 143 | 73.1 | 79.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 156 | A | 29.8 | Very low | 30.3 | Very low | 69 Ų | 69 | 136 Ų | 136 | 57% | 0.57 | 73% | 0.732 | S | S | * | * | | | cis | -160.2 | 176.1 | 11.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 157 | Y | 29.8 | Very low | 30.5 | Very low | 193 Ų | 193 | 143.3 Ų | 143.3 | 76% | 0.757 | 75% | 0.748 | S | S | * | * | | | trans | 43.3 | 118.1 | 145.3 | -59 | -52.1 | 0 | 0 | 0 | 120.1 | | |
| 158 | E | 29.1 | Very low | 30.5 | Very low | 160 Ų | 160 | 140.6 Ų | 140.6 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | | | | 90.2 | 159.2 | 104.4 | -75.1 | 171.7 | 174.2 | 0 | 0 | 112.8 | | |
| 159 | T | 31.5 | Very low | 30.5 | Very low | 107 Ų | 107 | 136.6 Ų | 136.6 | 66% | 0.656 | 74% | 0.743 | S | S | * | * | | | cis | -147.7 | 154.1 | 0.3 | -4.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 160 | T | 32.2 | Very low | 30.3 | Very low | 105 Ų | 105 | 136.5 Ų | 136.5 | 64% | 0.644 | 74% | 0.742 | S | S | * | * | | | trans | 35.6 | 125 | 145.6 | 60.7 | 0 | 0 | 0 | 0 | 122.6 | | |
| 161 | N | 28.4 | Very low | 30.3 | Very low | 136 Ų | 136 | 141.5 Ų | 141.5 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | | | | 79.5 | 141.6 | 121.8 | -66.1 | -9.8 | 0 | 0 | 0 | 123.4 | | |
| 162 | L | 29.8 | Very low | 30.4 | Very low | 149 Ų | 149 | 137.8 Ų | 137.8 | 78% | 0.78 | 75% | 0.751 | S | S | * | * | | | trans | 85.5 | 145.9 | 134.6 | -85.2 | 165.9 | 0 | 0 | 0 | 121.6 | | |
| 163 | I | 31.8 | Very low | 30.1 | Very low | 148 Ų | 148 | 140.3 Ų | 140.3 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | | | trans | 78.9 | 109 | 159 | -63.9 | 151.4 | 0 | 0 | 0 | 118.2 | | |
| 164 | N | 27.4 | Very low | 30.2 | Very low | 151 Ų | 151 | 144.2 Ų | 144.2 | 81% | 0.807 | 77% | 0.768 | S | S | * | * | | | trans | -25.7 | 139.4 | 152.7 | -59.1 | -32.7 | 0 | 0 | 0 | 116.3 | | |
| 165 | S | 32.5 | Very low | 30.2 | Very low | 123 Ų | 123 | 148 Ų | 148 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | | | | -160.1 | 152.9 | 116.6 | 28.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 166 | Q | 30.2 | Very low | 30.3 | Very low | 168 Ų | 168 | 149.2 Ų | 149.2 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | | | trans | -83.7 | 145.9 | -178.4 | -60 | 140.3 | -57.4 | 0 | 0 | 110.6 | | |
| 167 | Y | 30.8 | Very low | 30.3 | Very low | 240 Ų | 240 | 155.2 Ų | 155.2 | 94% | 0.941 | 79% | 0.785 | S | S | * | * | | | trans | -138.6 | 131.9 | 142.9 | -116 | -84 | 0 | 0 | 0 | 110.4 | | |
| 168 | I | 29.9 | Very low | 30.3 | Very low | 145 Ų | 145 | 151.1 Ų | 151.1 | 74% | 0.744 | 78% | 0.781 | S | S | * | * | | | trans | -94.5 | 131.5 | -171.1 | -64.6 | 172 | 0 | 0 | 0 | 109.7 | | |
| 169 | G | 30.8 | Very low | 30.1 | Very low | 78 Ų | 78 | 148.8 Ų | 148.8 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | | | trans | -140.7 | 52.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q171 | G169-Q171 PolarHBondContact O-N 2.83Š|
| 170 | S | 28 | Very low | 30.1 | Very low | 98 Ų | 98 | 148.3 Ų | 148.3 | 69% | 0.685 | 79% | 0.791 | S | S | * | * | | | trans | -76.8 | 112.2 | -177.9 | 57.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 171 | Q | 32.8 | Very low | 30 | Very low | 194 Ų | 194 | 150.7 Ų | 150.7 | 91% | 0.907 | 79% | 0.792 | S | S | * | * | | | trans | -115.5 | 132.2 | 157 | -73.1 | -160.8 | 3.3 | 0 | 0 | 110.7 | G169 | G169-Q171 PolarHBondContact O-N 2.83Š|
| 172 | I | 31.4 | Very low | 30.2 | Very low | 142 Ų | 142 | 151 Ų | 151 | 73% | 0.728 | 79% | 0.789 | S | S | * | * | | | trans | -119.9 | 121.6 | -167.1 | -99.3 | 175.5 | 0 | 0 | 0 | 110.6 | | |
| 173 | Y | 26.2 | Very low | 30.2 | Very low | 195 Ų | 195 | 149.8 Ų | 149.8 | 77% | 0.765 | 79% | 0.79 | S | S | * | * | | | trans | 61 | 132.2 | 154 | -74.1 | -121.1 | 0 | 0 | 0 | 119.8 | | |
| 174 | N | 30.5 | Very low | 30 | Very low | 174 Ų | 174 | 148 Ų | 148 | 93% | 0.93 | 79% | 0.79 | S | S | * | * | | | | -154.9 | 98.5 | 128.8 | -107.3 | -47.9 | 0 | 0 | 0 | 111.7 | | |
| 175 | R | 32.3 | Very low | 30.1 | Very low | 227 Ų | 227 | 146.4 Ų | 146.4 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -146 | 135.8 | 162.6 | -154.8 | 171.3 | -169.6 | -177.2 | 3.6 | 109.5 | | |
| 176 | P | 32 | Very low | 30 | Very low | 131 Ų | 131 | 148.7 Ų | 148.7 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 134.2 | -167.1 | -20.1 | 33.3 | 0 | 0 | 0 | 113.2 | | |
| 177 | R | 28.4 | Very low | 30 | Very low | 196 Ų | 196 | 148.1 Ų | 148.1 | 74% | 0.74 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -98.4 | 136.5 | 173.7 | -160.9 | 173.5 | -169 | 169 | 4.6 | 109.7 | | |
| 178 | P | 29.9 | Very low | 30 | Very low | 106 Ų | 106 | 142.1 Ų | 142.1 | 69% | 0.688 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 145.7 | 178.6 | 26.3 | -34.6 | 0 | 0 | 0 | 112 | S180 | P178-S180 PolarHBondContact O-N 3.38Å; P178-S180 VanDerWaalsContact O-N 3.13Å |
| 179 | A | 25.8 | Very low | 30 | Very low | 111 Ų | 111 | 140.3 Ų | 140.3 | 92% | 0.917 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -85.2 | 83.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 180 | S | 31.8 | Very low | 30 | Very low | 98 Ų | 98 | 147.4 Ų | 147.4 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | | | trans | -151.3 | 106.3 | 164.1 | 59.3 | 0 | 0 | 0 | 0 | 111.3 | P178 | P178-S180 PolarHBondContact O-N 3.38Å; P178-S180 VanDerWaalsContact O-N 3.13Å |
| 181 | F | 30.2 | Very low | 30.1 | Very low | 155 Ų | 155 | 151 Ų | 151 | 68% | 0.68 | 78% | 0.782 | S | S | * | * | | | trans | -131.9 | 98.9 | 169.9 | -86.9 | -77.8 | 0 | 0 | 0 | 110.6 | | |
| 182 | H | 31.8 | Very low | 29.9 | Very low | 143 Ų | 143 | 147.8 Ų | 147.8 | 66% | 0.662 | 77% | 0.771 | S | S | * | * | | | trans | -113.6 | 143.8 | 138.6 | -88.1 | -87.5 | 0 | 0 | 0 | 106.9 | S184 | H182-S184 PolarHBondContact O-N 2.83Š|
| 183 | P | 28.9 | Very low | 29.8 | Very low | 123 Ų | 123 | 145.6 Ų | 145.6 | 80% | 0.799 | 77% | 0.766 | S | S | * | * | | | trans | -73.9 | 124.6 | -171.1 | 29.1 | -34.1 | 0 | 0 | 0 | 111.3 | | |
| 184 | S | 29 | Very low | 29.9 | Very low | 109 Ų | 109 | 146.5 Ų | 146.5 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | | | trans | -100.2 | 98.3 | 166.9 | -62.2 | 0 | 0 | 0 | 0 | 108.8 | H182 Q186 | H182-S184 PolarHBondContact O-N 2.83Å; S184-Q186 VanDerWaalsContact C-N 3.27Å; S184-Q186 PolarHBondContact O-N 3.18Å |
| 185 | S | 29.2 | Very low | 29.8 | Very low | 118 Ų | 118 | 147.4 Ų | 147.4 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | | | trans | -74.2 | 78.3 | 173.5 | 49.9 | 0 | 0 | 0 | 0 | 110.6 | L187 | S185-L187 PolarHBondContact O-N 3.02Š|
| 186 | Q | 31 | Very low | 29.6 | Very low | 171 Ų | 171 | 141.2 Ų | 141.2 | 80% | 0.799 | 76% | 0.756 | S | S | * | * | | | trans | -81.3 | 89.5 | 167.1 | -77.2 | -170.6 | -25.8 | 0 | 0 | 110 | S184 V188 | S184-Q186 VanDerWaalsContact C-N 3.27Å; S184-Q186 PolarHBondContact O-N 3.18Å; Q186-V188 PolarHBondContact O-N 3.25Å |
| 187 | L | 29.2 | Very low | 29.6 | Very low | 157 Ų | 157 | 142.8 Ų | 142.8 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | | | trans | -63.9 | 99.3 | 156 | -85.9 | 164.7 | 0 | 0 | 0 | 108.3 | S185 T189 | S185-L187 PolarHBondContact O-N 3.02Å; L187-T189 PolarHBondContact O-N 2.93Å |
| 188 | V | 31.7 | Very low | 29.6 | Very low | 113 Ų | 113 | 139.8 Ų | 139.8 | 69% | 0.685 | 75% | 0.75 | S | S | * | * | | | trans | -90.3 | 80.8 | 162.7 | -177.6 | 0 | 0 | 0 | 0 | 107.5 | Q186 R190 | Q186-V188 PolarHBondContact O-N 3.25Å; V188-R190 VanDerWaalsContact C-N 3.28Å; V188-R190 PolarHBondContact O-N 2.79Å |
| 189 | T | 29.4 | Very low | 29.6 | Very low | 108 Ų | 108 | 141.7 Ų | 141.7 | 66% | 0.663 | 76% | 0.755 | S | S | * | * | | | trans | -68.4 | 89.1 | 165.8 | 24.5 | 0 | 0 | 0 | 0 | 109.3 | L187 | L187-T189 PolarHBondContact O-N 2.93Š|
| 190 | R | 30.2 | Very low | 29.8 | Very low | 227 Ų | 227 | 140.5 Ų | 140.5 | 86% | 0.857 | 74% | 0.74 | S | S | * | * | | | trans | -119.2 | 81.3 | 156.7 | -80.8 | -164 | 171.2 | -160.3 | -2.8 | 109.9 | V188 N192 | V188-R190 VanDerWaalsContact C-N 3.28Å; V188-R190 PolarHBondContact O-N 2.79Å; R190-N192 PolarHBondContact O-N 3Å |
| 191 | H | 29.6 | Very low | 29.8 | Very low | 172 Ų | 172 | 142.1 Ų | 142.1 | 80% | 0.796 | 75% | 0.746 | S | S | * | * | | | trans | -57.9 | 113.8 | 147.4 | -68.1 | -99 | 0 | 0 | 0 | 107.5 | | |
| 192 | N | 29.7 | Very low | 29.7 | Very low | 127 Ų | 127 | 138.7 Ų | 138.7 | 68% | 0.679 | 74% | 0.741 | S | S | * | * | | | | -164.7 | 141.4 | 103.7 | -126.7 | 12.5 | 0 | 0 | 0 | 110.1 | R190 Y194 | R190-N192 PolarHBondContact O-N 3Å; N192-Y194 PolarHBondContact O-N 3.35Å |
| 193 | P | 28.8 | Very low | 29.7 | Very low | 97 Ų | 97 | 142.7 Ų | 142.7 | 63% | 0.63 | 75% | 0.752 | S | S | * | * | | | trans | -75.4 | 112.6 | 168.4 | 31 | -29.9 | 0 | 0 | 0 | 109 | F195 | P193-F195 WeakPolarHBondContact O-CB 3.48Š|
| 194 | Y | 28.3 | Very low | 29.8 | Very low | 213 Ų | 213 | 140.8 Ų | 140.8 | 84% | 0.835 | 74% | 0.742 | S | S | * | * | | | trans | -73.9 | 114.8 | 143.7 | -60.1 | -92.4 | 0 | 0 | 0 | 104.1 | N192 | N192-Y194 PolarHBondContact O-N 3.35Š|
| 195 | F | 27.9 | Very low | 30.1 | Very low | 194 Ų | 194 | 141 Ų | 141 | 85% | 0.851 | 74% | 0.735 | S | S | * | * | | | cis | 52.2 | 57 | 36.9 | -98.8 | -68.3 | 0 | 0 | 0 | 112.6 | P193 | P193-F195 WeakPolarHBondContact O-CB 3.48Š|
| 196 | C | 29.2 | Very low | 30.4 | Very low | 97 Ų | 97 | 142.8 Ų | 142.8 | 66% | 0.655 | 73% | 0.73 | S | S | * | * | | | trans | -121.6 | 122.2 | 147.8 | -81.1 | 0 | 0 | 0 | 0 | 108.5 | | |
| 197 | H | 31.3 | Very low | 30.7 | Very low | 164 Ų | 164 | 143.7 Ų | 143.7 | 76% | 0.759 | 73% | 0.734 | S | S | * | * | | | trans | 47.9 | 115.3 | 137.4 | -62.4 | 82.9 | 0 | 0 | 0 | 117.4 | | |
| 198 | N | 29.7 | Very low | 30.8 | Very low | 132 Ų | 132 | 142.5 Ų | 142.5 | 71% | 0.706 | 73% | 0.728 | S | S | * | * | | | | -158.9 | 151.5 | 56 | -75.3 | -56.2 | 0 | 0 | 0 | 113.2 | | |
| 199 | N | 29.5 | Very low | 30.8 | Very low | 146 Ų | 146 | 142.9 Ų | 142.9 | 78% | 0.781 | 74% | 0.735 | S | S | * | * | | | trans | 61.5 | 137.6 | 151.2 | -56.2 | -5.5 | 0 | 0 | 0 | 118.6 | | |
| 200 | S | 29.1 | Very low | 30.9 | Very low | 87 Ų | 87 | 141.9 Ų | 141.9 | 61% | 0.608 | 73% | 0.725 | S | S | * | * | | | cis | -165.7 | 152.6 | -9.4 | -89.5 | 0 | 0 | 0 | 0 | 108.9 | | |
| 201 | T | 31.3 | Very low | 31 | Very low | 132 Ų | 132 | 137.8 Ų | 137.8 | 81% | 0.81 | 72% | 0.716 | S | S | * | * | | | trans | 59.9 | 152.8 | 163.4 | 56.5 | 0 | 0 | 0 | 0 | 118.7 | | |
| 202 | S | 29.6 | Very low | 31.1 | Very low | 83 Ų | 83 | 133.6 Ų | 133.6 | 58% | 0.58 | 70% | 0.699 | S | S | * | * | | | cis | -170.6 | 155.8 | -24.2 | -86.2 | 0 | 0 | 0 | 0 | 108.6 | | |
| 203 | Y | 31.1 | Very low | 31 | Very low | 226 Ų | 226 | 132.1 Ų | 132.1 | 89% | 0.886 | 70% | 0.698 | S | S | * | * | | | trans | 65.1 | 154.4 | 170.3 | -58.7 | -74.7 | 0 | 0 | 0 | 116.6 | | |
| 204 | S | 31.9 | Very low | 31.3 | Very low | 84 Ų | 84 | 132.3 Ų | 132.3 | 59% | 0.587 | 70% | 0.699 | S | S | * | * | | | cis | -167.4 | -178.6 | -25.5 | 51.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 205 | N | 34.1 | Very low | 31.2 | Very low | 114 Ų | 114 | 132.2 Ų | 132.2 | 61% | 0.61 | 70% | 0.699 | S | S | * | * | | | trans | 71.6 | 114 | 173.4 | -53.3 | 80.5 | 0 | 0 | 0 | 113.5 | | |
| 206 | E | 35.5 | Very low | 31.5 | Very low | 155 Ų | 155 | 128.3 Ų | 128.3 | 72% | 0.724 | 69% | 0.691 | S | S | * | * | | | | 76.2 | 136.6 | 71.7 | -67.8 | 145.5 | -150.6 | 0 | 0 | 111.7 | | |
| 207 | E | 37.9 | Very low | 31.6 | Very low | 189 Ų | 189 | 133.7 Ų | 133.7 | 88% | 0.883 | 70% | 0.699 | S | S | * | * | | | cis | -147.1 | 175.1 | 10.9 | -137.6 | 168.6 | -159.2 | 0 | 0 | 112 | | |
| 208 | N | 30.1 | Very low | 31.7 | Very low | 133 Ų | 133 | 128.6 Ų | 128.6 | 71% | 0.711 | 69% | 0.691 | S | S | * | * | | | trans | -134.1 | 114.1 | -169.3 | 173 | 31.1 | 0 | 0 | 0 | 111.5 | | |
| 209 | C | 32 | Very low | 31.9 | Very low | 121 Ų | 121 | 130.4 Ų | 130.4 | 82% | 0.818 | 70% | 0.695 | S | S | * | * | | | trans | -144.8 | 131.2 | 172.4 | -92 | 0 | 0 | 0 | 0 | 112.8 | | |
| 210 | N | 31.4 | Very low | 32.1 | Very low | 87 Ų | 87 | 128.5 Ų | 128.5 | 47% | 0.465 | 69% | 0.689 | S | S | . | * | | | trans | -91.4 | 150.1 | 169.3 | -46.8 | -96.4 | 0 | 0 | 0 | 108.3 | S1065 P1066 | N210-S1065 PolarHBondContact ND2-O 2.95Å; N210-P1066 WeakPolarHBondContact CB-O 3.39Å; N210-P1066 WeakPolarHBondContact O-CD 3.26Å |
| 211 | Q | 33.8 | Very low | 32.4 | Very low | 140 Ų | 140 | 130.2 Ų | 130.2 | 65% | 0.654 | 69% | 0.692 | S | S | * | * | | | trans | -176.8 | 130 | 140.6 | -105.2 | 168.2 | -74.6 | 0 | 0 | 115.6 | P1066 | Q211-P1066 HydrophobicContact CG-CG 3.67Š|
| 212 | I | 30.9 | Very low | 32.3 | Very low | 85 Ų | 85 | 130 Ų | 130 | 44% | 0.436 | 69% | 0.686 | S | S | . | * | | | trans | 49.9 | 105.5 | 134.4 | -57 | 167.1 | 0 | 0 | 0 | 119.4 | L1067 | I212-L1067 HydrophobicContact CD1-CB 3.97Å; I212-L1067 HydrophobicContact CD1-CD2 3.56Å; I212-L1067 HydrophobicContact CD1-CG 4.36Å; I212-L1067 HydrophobicContact CG1-CB 3.69Å; I212-L1067 HydrophobicContact CG1-CD2 3.91Å; I212-L1067 HydrophobicContact CG1-CG 4.44Å |
| 213 | S | 27.1 | Very low | 32.3 | Very low | 96 Ų | 96 | 130.2 Ų | 130.2 | 67% | 0.671 | 69% | 0.687 | S | S | * | * | | | | 44.5 | 172.3 | 102.5 | -35.1 | 0 | 0 | 0 | 0 | 121.3 | | |
| 214 | P | 36.2 | Very low | 32.3 | Very low | 101 Ų | 101 | 128.6 Ų | 128.6 | 66% | 0.656 | 69% | 0.685 | S | S | * | * | | | | -130.5 | -165 | -94.6 | 35.8 | -14 | 0 | 0 | 0 | 114.4 | | |
| 215 | Y | 26.6 | Very low | 32.1 | Very low | 210 Ų | 210 | 135.1 Ų | 135.1 | 82% | 0.824 | 70% | 0.698 | S | S | * | * | | | trans | 71.4 | 150.8 | -175.4 | -61.7 | -90 | 0 | 0 | 0 | 113.3 | | |
| 216 | T | 33.1 | Very low | 32 | Very low | 112 Ų | 112 | 136.3 Ų | 136.3 | 69% | 0.687 | 71% | 0.709 | S | S | * | * | | | | -174.1 | 118.8 | 80.3 | -71.7 | 0 | 0 | 0 | 0 | 112 | | |
| 217 | Y | 31.1 | Very low | 31.7 | Very low | 210 Ų | 210 | 137.5 Ų | 137.5 | 82% | 0.824 | 72% | 0.715 | S | S | * | * | | | trans | 64.6 | 165.1 | 155.1 | -69.3 | -132.8 | 0 | 0 | 0 | 117 | | |
| 218 | G | 34 | Very low | 31.2 | Very low | 58 Ų | 58 | 133.4 Ų | 133.4 | 60% | 0.598 | 70% | 0.704 | S | S | * | * | | | cis | -128.6 | 173.2 | -3.7 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 219 | Q | 33.2 | Very low | 30.9 | Very low | 169 Ų | 169 | 131.2 Ų | 131.2 | 79% | 0.79 | 70% | 0.7 | S | S | * | * | | | | 61.7 | 129.7 | 85.8 | -64.4 | -175.6 | -62.6 | 0 | 0 | 113.2 | | |
| 220 | T | 33.7 | Very low | 30.8 | Very low | 106 Ų | 106 | 133.3 Ų | 133.3 | 65% | 0.65 | 70% | 0.698 | S | S | * | * | | | cis | -159 | 169.7 | 9.9 | -4.6 | 0 | 0 | 0 | 0 | 112 | | |
| 221 | D | 35.6 | Very low | 30.7 | Very low | 123 Ų | 123 | 136.4 Ų | 136.4 | 66% | 0.658 | 71% | 0.709 | S | S | * | * | | | trans | 64.4 | 112.8 | 145.1 | -61.7 | -24.3 | 0 | 0 | 0 | 122.2 | | |
| 222 | N | 29.8 | Very low | 30.5 | Very low | 129 Ų | 129 | 136.3 Ų | 136.3 | 69% | 0.69 | 71% | 0.713 | S | S | * | * | | | | 64.7 | 101.1 | 114.6 | -54.5 | -34.8 | 0 | 0 | 0 | 120.7 | | |
| 223 | S | 29.2 | Very low | 30.5 | Very low | 87 Ų | 87 | 141.5 Ų | 141.5 | 61% | 0.608 | 73% | 0.733 | S | S | * | * | | | | 81.4 | 165.6 | 113.8 | 77.3 | 0 | 0 | 0 | 0 | 118.9 | | |
| 224 | F | 32.1 | Very low | 30.7 | Very low | 191 Ų | 191 | 144.2 Ų | 144.2 | 84% | 0.838 | 74% | 0.738 | S | S | * | * | | | trans | 64 | 119.5 | -167.3 | -50 | -81 | 0 | 0 | 0 | 111.9 | | |
| 225 | Y | 27.7 | Very low | 30.4 | Very low | 221 Ų | 221 | 146.8 Ų | 146.8 | 87% | 0.867 | 75% | 0.746 | S | S | * | * | | | cis | 66.9 | 84.9 | 41.7 | -150.5 | -69.9 | 0 | 0 | 0 | 112 | | |
| 226 | V | 32.2 | Very low | 30.6 | Very low | 139 Ų | 139 | 144 Ų | 144 | 84% | 0.842 | 75% | 0.745 | S | S | * | * | | | trans | -173.3 | 116.5 | 158.5 | 131.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 227 | E | 28 | Very low | 30.5 | Very low | 181 Ų | 181 | 144.9 Ų | 144.9 | 85% | 0.846 | 75% | 0.75 | S | S | * | * | | | trans | -72.7 | 159.1 | 146.2 | -80.5 | -163.8 | 131.6 | 0 | 0 | 108 | | |
| 228 | P | 27.4 | Very low | 30.7 | Very low | 102 Ų | 102 | 140.5 Ų | 140.5 | 66% | 0.662 | 74% | 0.74 | S | S | * | * | | | cis | -144 | -162.3 | 23.8 | 28.9 | -1.8 | 0 | 0 | 0 | 114.2 | | |
| 229 | S | 24.5 | Very low | 30.6 | Very low | 87 Ų | 87 | 142.6 Ų | 142.6 | 61% | 0.608 | 74% | 0.741 | S | S | * | * | | | trans | 50.4 | 135.4 | 135.6 | 68.1 | 0 | 0 | 0 | 0 | 123.5 | | |
| 230 | Q | 29.8 | Very low | 30.5 | Very low | 166 Ų | 166 | 141.5 Ų | 141.5 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | | | trans | 78.8 | 137.3 | 148.3 | -68.9 | 169.1 | 8.5 | 0 | 0 | 120.5 | | |
| 231 | Q | 27.9 | Very low | 30.8 | Very low | 152 Ų | 152 | 144 Ų | 144 | 71% | 0.71 | 74% | 0.741 | S | S | * | * | | | trans | 46.4 | 98.9 | 147.8 | -69.1 | 161.1 | -106 | 0 | 0 | 119.9 | | |
| 232 | N | 31.3 | Very low | 30.8 | Very low | 137 Ų | 137 | 140.1 Ų | 140.1 | 73% | 0.733 | 72% | 0.723 | S | S | * | * | | | | -178.6 | 136.7 | 91.1 | -84.5 | -47.4 | 0 | 0 | 0 | 109.6 | | |
| 233 | K | 29.2 | Very low | 31.4 | Very low | 195 Ų | 195 | 141 Ų | 141 | 85% | 0.848 | 73% | 0.726 | S | S | * | * | | | | 53.6 | 62.7 | 71.7 | -88.3 | -165.2 | 174.8 | -175.5 | 0 | 114.3 | | |
| 234 | I | 32.1 | Very low | 32.2 | Very low | 153 Ų | 153 | 145.2 Ų | 145.2 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | | | trans | -122.2 | 127.3 | 144.9 | -63.2 | -177.8 | 0 | 0 | 0 | 107.3 | | |
| 235 | N | 29.5 | Very low | 33.2 | Very low | 154 Ų | 154 | 139.9 Ų | 139.9 | 82% | 0.824 | 71% | 0.71 | S | S | * | * | | | trans | -75.4 | 133.4 | 174.9 | -62 | -31.7 | 0 | 0 | 0 | 108.9 | | |
| 236 | N | 31.7 | Very low | 33.4 | Very low | 151 Ų | 151 | 135 Ų | 135 | 81% | 0.807 | 69% | 0.691 | S | S | * | * | | | trans | -141.6 | 140.7 | 154.7 | -108.8 | -31.3 | 0 | 0 | 0 | 110.2 | I238 | N236-I238 PolarHBondContact O-N 2.84Š|
| 237 | V | 29.7 | Very low | 33.8 | Very low | 131 Ų | 131 | 131.7 Ų | 131.7 | 79% | 0.794 | 67% | 0.672 | S | S | * | * | | | trans | -79.8 | 117.7 | -169 | 178.6 | 0 | 0 | 0 | 0 | 109.7 | T239 | V237-T239 HydrophobicContact CG1-CG2 4.24Š|
| 238 | I | 35.3 | Very low | 34.5 | Very low | 119 Ų | 119 | 129 Ų | 129 | 61% | 0.61 | 67% | 0.67 | S | S | * | * | | | trans | -109.8 | 111.7 | 164.7 | -61.5 | 179.3 | 0 | 0 | 0 | 107.2 | N236 Y240 | N236-I238 PolarHBondContact O-N 2.84Å; I238-Y240 HydrophobicContact CB-CE2 4.15Å; I238-Y240 HydrophobicContact CG2-CD2 4.36Å; I238-Y240 HydrophobicContact CG2-CE1 4.25Å; I238-Y240 HydrophobicContact CG2-CE2 3.95Å; I238-Y240 WeakPolarHBondContact O-CD2 3.15Å; I238-Y240 PolarHBondContact O-N 3.25Å |
| 239 | T | 31.9 | Very low | 35.3 | Very low | 101 Ų | 101 | 131.5 Ų | 131.5 | 62% | 0.62 | 68% | 0.678 | S | S | * | * | | | trans | -75.3 | 105.3 | 175 | 42.6 | 0 | 0 | 0 | 0 | 109.9 | V237 D241 | V237-T239 HydrophobicContact CG1-CG2 4.24Å; T239-D241 PolarHBondContact O-N 2.86Å |
| 240 | Y | 32.2 | Very low | 36.3 | Very low | 147 Ų | 147 | 133.2 Ų | 133.2 | 58% | 0.576 | 68% | 0.68 | S | S | * | * | | | trans | -83.7 | 88 | 172.3 | -66.4 | -84 | 0 | 0 | 0 | 109.9 | I238 S242 | I238-Y240 HydrophobicContact CB-CE2 4.15Å; I238-Y240 HydrophobicContact CG2-CD2 4.36Å; I238-Y240 HydrophobicContact CG2-CE1 4.25Å; I238-Y240 HydrophobicContact CG2-CE2 3.95Å; I238-Y240 WeakPolarHBondContact O-CD2 3.15Å; I238-Y240 PolarHBondContact O-N 3.25Å; Y240-S242 PolarHBondContact O-N 3.5Å |
| 241 | D | 40.1 | Very low | 36.4 | Very low | 159 Ų | 159 | 129.4 Ų | 129.4 | 85% | 0.85 | 67% | 0.672 | S | S | * | * | | | trans | -68.9 | 12.3 | -178.8 | -65 | -32.7 | 0 | 0 | 0 | 114.5 | T239 | T239-D241 PolarHBondContact O-N 2.86Š|
| 242 | S | 35.4 | Very low | 36.8 | Very low | 40 Ų | 40 | 125.4 Ų | 125.4 | 28% | 0.28 | 66% | 0.659 | S | S | . | * | | | trans | -145.6 | 128.3 | -169.5 | 159.7 | 0 | 0 | 0 | 0 | 111.3 | Y240 Y244 D245 | Y240-S242 PolarHBondContact O-N 3.5Å; S242-Y244 PolarHBondContact O-N 3.38Å; S242-Y244 VanDerWaalsContact O-N 3.14Å; S242-Y244 PolarHBondContact OG-N 2.92Å; S242-D245 WeakPolarHBondContact CB-OD2 3.37Å; S242-D245 PolarHBondContact OG-OD2 2.89Å |
| 243 | I | 43 | Very low | 36.8 | Very low | 149 Ų | 149 | 129.7 Ų | 129.7 | 76% | 0.764 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | -13.4 | 178.2 | -57.2 | 169.3 | 0 | 0 | 0 | 111.4 | | |
| 244 | Y | 45.2 | Very low | 37.2 | Very low | 174 Ų | 174 | 126.5 Ų | 126.5 | 68% | 0.682 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -7.7 | -168.9 | -66.1 | -74 | 0 | 0 | 0 | 115.4 | S242 R1087 | S242-Y244 PolarHBondContact O-N 3.38Å; S242-Y244 VanDerWaalsContact O-N 3.14Å; S242-Y244 PolarHBondContact OG-N 2.92Å; Y244-R1087 PolarHBondContact O-NH1 3.38Å |
| 245 | D | 52.2 | Low | 36.9 | Very low | 79 Ų | 79 | 124.6 Ų | 124.6 | 42% | 0.422 | 66% | 0.664 | S | S | . | * | | | trans | -102.6 | 11.9 | -167.8 | -57.5 | -51.1 | 0 | 0 | 0 | 114.2 | S242 R1087 | S242-D245 WeakPolarHBondContact CB-OD2 3.37Å; S242-D245 PolarHBondContact OG-OD2 2.89Å; D245-R1087 IonicContact OD1-NH1 3.06Å; D245-R1087 PolarHBondContact OD1-NH1 2.89Å |
| 246 | Y | 33.2 | Very low | 37 | Very low | 119 Ų | 119 | 122.3 Ų | 122.3 | 47% | 0.467 | 66% | 0.658 | S | S | . | * | S | Bend | trans | -69.3 | 131.2 | 165.3 | -76.2 | -72.9 | 0 | 0 | 0 | 111.7 | P252 | Y246-P252 VanDerWaalsContact CD1-CD 3.43Å; Y246-P252 HydrophobicContact CD1-CG 3.74Å; Y246-P252 HydrophobicContact CE1-CG 3.29Å; Y246-P252 HydrophobicContact CE2-CG 4.27Å; Y246-P252 HydrophobicContact CG-CG 4.39Å |
| 247 | P | 39.3 | Very low | 36.9 | Very low | 69 Ų | 69 | 119.4 Ų | 119.4 | 45% | 0.448 | 65% | 0.646 | S | S | . | * | | | trans | -59.8 | 148.1 | 172.5 | -24.1 | 34 | 0 | 0 | 0 | 111.9 | N249 L250 S251 | P247-N249 PolarHBondContact O-N 2.77Å; P247-L250 HydrophobicContact CB-CB 4.21Å; P247-L250 HydrophobicContact CB-CD1 4.45Å; P247-L250 HydrophobicContact CG-CB 4.34Å; P247-L250 HydrophobicContact CG-CD1 4.25Å; P247-L250 CarbonylContact O-C 3.56Å; P247-L250 PolarHBondContact O-N 3.35Å; P247-S251 PolarHBondContact O-N 3.11Å |
| 248 | P | 43.3 | Very low | 36.7 | Very low | 125 Ų | 125 | 117.6 Ų | 117.6 | 81% | 0.812 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.1 | -22.9 | -175.7 | -28 | 35.8 | 0 | 0 | 0 | 115.8 | | |
| 249 | N | 45.4 | Very low | 36.5 | Very low | 155 Ų | 155 | 116.3 Ų | 116.3 | 83% | 0.829 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.8 | 3.4 | 179.5 | -61.1 | -2.5 | 0 | 0 | 0 | 113.1 | P247 | P247-N249 PolarHBondContact O-N 2.77Š|
| 250 | L | 44 | Very low | 36.4 | Very low | 123 Ų | 123 | 115 Ų | 115 | 64% | 0.644 | 61% | 0.614 | S | S | * | * | | | trans | -133.1 | 25.4 | -175.6 | -70.8 | 173.5 | 0 | 0 | 0 | 112.4 | P247 P252 | P247-L250 HydrophobicContact CB-CB 4.21Å; P247-L250 HydrophobicContact CB-CD1 4.45Å; P247-L250 HydrophobicContact CG-CB 4.34Å; P247-L250 HydrophobicContact CG-CD1 4.25Å; P247-L250 CarbonylContact O-C 3.56Å; P247-L250 PolarHBondContact O-N 3.35Å; L250-P252 WeakPolarHBondContact O-CD 3.47Å |
| 251 | S | 31.7 | Very low | 36.3 | Very low | 86 Ų | 86 | 116 Ų | 116 | 60% | 0.601 | 62% | 0.618 | S | S | * | * | | | trans | -63 | 114.7 | 169.2 | 57 | 0 | 0 | 0 | 0 | 110.3 | P247 | P247-S251 PolarHBondContact O-N 3.11Š|
| 252 | P | 38.1 | Very low | 36.1 | Very low | 68 Ų | 68 | 115.6 Ų | 115.6 | 44% | 0.442 | 61% | 0.611 | S | S | . | * | | | trans | -73.8 | 147.1 | -179.6 | -12.3 | 28.7 | 0 | 0 | 0 | 110.8 | Y246 L250 P254 | Y246-P252 VanDerWaalsContact CD1-CD 3.43Å; Y246-P252 HydrophobicContact CD1-CG 3.74Å; Y246-P252 HydrophobicContact CE1-CG 3.29Å; Y246-P252 HydrophobicContact CE2-CG 4.27Å; Y246-P252 HydrophobicContact CG-CG 4.39Å; L250-P252 WeakPolarHBondContact O-CD 3.47Å; P252-P254 VanDerWaalsContact O-CD 3.22Å; P252-P254 WeakPolarHBondContact O-CD 3.29Å |
| 253 | Y | 30 | Very low | 35.8 | Very low | 226 Ų | 226 | 120.1 Ų | 120.1 | 89% | 0.886 | 63% | 0.632 | S | S | * | * | | | trans | -62.9 | 123 | 169.6 | -77.1 | -99 | 0 | 0 | 0 | 110.7 | C255 | Y253-C255 PolarHBondContact O-N 3.37Š|
| 254 | P | 37.4 | Very low | 35.3 | Very low | 128 Ų | 128 | 119.7 Ų | 119.7 | 83% | 0.831 | 63% | 0.63 | S | S | * | * | | | trans | -75.8 | 81.7 | 176.8 | -19.3 | 35.5 | 0 | 0 | 0 | 113.8 | P252 | P252-P254 VanDerWaalsContact O-CD 3.22Å; P252-P254 WeakPolarHBondContact O-CD 3.29Å |
| 255 | C | 27.2 | Very low | 34.5 | Very low | 113 Ų | 113 | 117.7 Ų | 117.7 | 76% | 0.764 | 64% | 0.636 | S | S | * | * | | | trans | 52.6 | 127.3 | 148.1 | -57 | 0 | 0 | 0 | 0 | 122.9 | Y253 | Y253-C255 PolarHBondContact O-N 3.37Š|
| 256 | P | 30 | Very low | 33.4 | Very low | 107 Ų | 107 | 119.3 Ų | 119.3 | 70% | 0.695 | 65% | 0.651 | S | S | * | * | | | trans | -121 | 145.6 | 157 | 37.8 | -25.9 | 0 | 0 | 0 | 114.1 | H837 | P256-H837 HydrophobicContact CB-CB 4.46Š|
| 257 | T | 29.8 | Very low | 33.3 | Very low | 90 Ų | 90 | 119.5 Ų | 119.5 | 55% | 0.552 | 67% | 0.665 | S | S | * | * | | | trans | -141.9 | 131.4 | -173.8 | -55.4 | 0 | 0 | 0 | 0 | 115.7 | H837 Q838 | T257-H837 VanDerWaalsContact CA-ND1 3.29Å; T257-H837 WeakPolarHBondContact CA-ND1 3.47Å; T257-H837 PolarHBondContact N-ND1 3.48Å; T257-H837 CarbonylContact O-C 2.89Å; T257-H837 VanDerWaalsContact O-CA 3.23Å; T257-H837 WeakPolarHBondContact O-CA 3.39Å; T257-H837 WeakPolarHBondContact O-CB 3.41Å; T257-H837 PolarHBondContact O-ND1 3.15Å; T257-Q838 CarbonylContact C-O 3.6Å; T257-Q838 VanDerWaalsContact C-O 3.31Å; T257-Q838 CarbonylContact O-C 3.45Å; T257-Q838 PolarHBondContact O-N 3.18Å |
| 258 | F | 26.5 | Very low | 32.8 | Very low | 92 Ų | 92 | 122.4 Ų | 122.4 | 40% | 0.404 | 68% | 0.677 | S | S | . | * | | | trans | 59 | 97.2 | -178.4 | -174.4 | -101.1 | 0 | 0 | 0 | 120.9 | P260 H837 Q838 P839 | F258-P260 HydrophobicContact CE1-CB 4.26Å; F258-P260 HydrophobicContact CE1-CG 3.84Å; F258-P260 HydrophobicContact CE2-CB 4.24Å; F258-P260 HydrophobicContact CZ-CB 3.74Å; F258-P260 HydrophobicContact CZ-CG 3.84Å; F258-H837 PolarHBondContact N-ND1 3.14Å; F258-H837 CarbonylContact O-C 3.52Å; F258-H837 WeakPolarHBondContact O-CA 3.39Å; F258-Q838 WeakPolarHBondContact CB-O 3.42Å; F258-Q838 PolarHBondContact O-N 3.34Å; F258-P839 HydrophobicContact CB-CB 4.17Å; F258-P839 HydrophobicContact CD1-CB 4.22Å; F258-P839 HydrophobicContact CG-CB 4.24Å |
| 259 | I | 30 | Very low | 32.2 | Very low | 92 Ų | 92 | 124.2 Ų | 124.2 | 47% | 0.472 | 67% | 0.674 | S | S | . | * | | | trans | -79.6 | 150 | 142.2 | -97.2 | 160.1 | 0 | 0 | 0 | 107.6 | D836 H837 | I259-D836 HydrophobicContact CG1-CB 3.55Å; I259-H837 WeakPolarHBondContact CB-NE2 3.37Å; I259-H837 WeakPolarHBondContact CD1-NE2 3.33Å; I259-H837 VanDerWaalsContact CG1-CD2 3.44Å; I259-H837 WeakPolarHBondContact CG1-CD2 3.5Å; I259-H837 VanDerWaalsContact CG1-NE2 3.27Å; I259-H837 WeakPolarHBondContact CG1-NE2 3.49Å; I259-H837 PolarHBondContact N-CD2 3.31Å; I259-H837 VanDerWaalsContact N-CD2 3.34Å; I259-H837 PolarHBondContact N-CE1 3.42Å; I259-H837 VanDerWaalsContact N-CE1 3.31Å; I259-H837 PolarHBondContact N-NE2 3.27Å |
| 260 | P | 30.2 | Very low | 31.3 | Very low | 73 Ų | 73 | 124.4 Ų | 124.4 | 47% | 0.474 | 68% | 0.675 | S | S | . | * | | | trans | -112.2 | 137.5 | 145.2 | 35.2 | -25.9 | 0 | 0 | 0 | 111.5 | F258 | F258-P260 HydrophobicContact CE1-CB 4.26Å; F258-P260 HydrophobicContact CE1-CG 3.84Å; F258-P260 HydrophobicContact CE2-CB 4.24Å; F258-P260 HydrophobicContact CZ-CB 3.74Å; F258-P260 HydrophobicContact CZ-CG 3.84Å |
| 261 | Y | 31 | Very low | 30.8 | Very low | 169 Ų | 169 | 124.8 Ų | 124.8 | 66% | 0.663 | 68% | 0.682 | S | S | * | * | | | cis | -162.1 | 167.4 | 5.2 | -133.3 | -137.8 | 0 | 0 | 0 | 106.9 | | |
| 262 | E | 34.2 | Very low | 30.6 | Very low | 150 Ų | 150 | 127.5 Ų | 127.5 | 70% | 0.701 | 69% | 0.69 | S | S | * | * | | | trans | 35.8 | 132 | 147.6 | -69.1 | 168.4 | -177.2 | 0 | 0 | 120.6 | | |
| 263 | D | 30.3 | Very low | 30.1 | Very low | 135 Ų | 135 | 129 Ų | 129 | 72% | 0.722 | 70% | 0.702 | S | S | * | * | | | cis | -169.2 | 178.9 | -2 | -144.2 | -24 | 0 | 0 | 0 | 110.8 | | |
| 264 | I | 33.1 | Very low | 30.1 | Very low | 140 Ų | 140 | 127.2 Ų | 127.2 | 72% | 0.718 | 70% | 0.699 | S | S | * | * | | | trans | 63.7 | 101.7 | 161.5 | -57.2 | 153.5 | 0 | 0 | 0 | 116.9 | | |
| 265 | T | 27.7 | Very low | 29.7 | Very low | 132 Ų | 132 | 128.5 Ų | 128.5 | 81% | 0.81 | 70% | 0.698 | S | S | * | * | | | trans | -77.3 | 152.8 | 142 | 50.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 266 | P | 29.6 | Very low | 29.8 | Very low | 114 Ų | 114 | 127.9 Ų | 127.9 | 74% | 0.74 | 70% | 0.695 | S | S | * | * | | | | -138.2 | 155.4 | 109 | 37.9 | -28.6 | 0 | 0 | 0 | 114.6 | | |
| 267 | T | 29.6 | Very low | 29.7 | Very low | 122 Ų | 122 | 127.7 Ų | 127.7 | 75% | 0.748 | 70% | 0.696 | S | S | * | * | | | trans | -63.7 | 137.8 | 158.2 | 47.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 268 | N | 30 | Very low | 30 | Very low | 131 Ų | 131 | 130.6 Ų | 130.6 | 70% | 0.701 | 71% | 0.714 | S | S | * | * | | | | -176.2 | 148.4 | 116.6 | -92.4 | 3.6 | 0 | 0 | 0 | 113.3 | | |
| 269 | E | 29.4 | Very low | 30.2 | Very low | 162 Ų | 162 | 135.4 Ų | 135.4 | 76% | 0.757 | 74% | 0.738 | S | S | * | * | | | trans | 37.4 | 110.4 | 140.3 | -57.1 | 177.8 | 174.5 | 0 | 0 | 120.8 | | |
| 270 | N | 28 | Very low | 30.5 | Very low | 160 Ų | 160 | 136.7 Ų | 136.7 | 86% | 0.856 | 76% | 0.755 | S | S | * | * | | | trans | 64.1 | -171.7 | 153.1 | -76.6 | -45.6 | 0 | 0 | 0 | 117.3 | | |
| 271 | V | 33.4 | Very low | 30.6 | Very low | 131 Ų | 131 | 144.6 Ų | 144.6 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | | | trans | 66.3 | 87 | 173.6 | -162.4 | 0 | 0 | 0 | 0 | 116.1 | | |
| 272 | N | 27.7 | Very low | 30.8 | Very low | 142 Ų | 142 | 144.4 Ų | 144.4 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | | | trans | 15.2 | 128.4 | 134.1 | -74.5 | -41.7 | 0 | 0 | 0 | 119.7 | | |
| 273 | S | 27 | Very low | 30.8 | Very low | 99 Ų | 99 | 148.2 Ų | 148.2 | 69% | 0.692 | 79% | 0.792 | S | S | * | * | | | | 45.9 | 141.6 | 121.2 | -52.7 | 0 | 0 | 0 | 0 | 121.5 | | |
| 274 | F | 29.8 | Very low | 31.1 | Very low | 189 Ų | 189 | 145.7 Ų | 145.7 | 83% | 0.829 | 78% | 0.783 | S | S | * | * | | | trans | 98.9 | 100.7 | 171.1 | -72.6 | -100.8 | 0 | 0 | 0 | 117.4 | | |
| 275 | L | 29 | Very low | 31.2 | Very low | 156 Ų | 156 | 143.1 Ų | 143.1 | 82% | 0.817 | 77% | 0.774 | S | S | * | * | | | | 54 | 156.9 | 121.3 | -77.6 | 166.7 | 0 | 0 | 0 | 122.5 | | |
| 276 | S | 29.9 | Very low | 31.7 | Very low | 99 Ų | 99 | 141.5 Ų | 141.5 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | | | trans | 72.7 | 119.7 | -179.5 | -155.4 | 0 | 0 | 0 | 0 | 114.6 | | |
| 277 | S | 27.8 | Very low | 32.4 | Very low | 103 Ų | 103 | 140.6 Ų | 140.6 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | | | cis | 95.1 | 105.2 | 26 | 91.1 | 0 | 0 | 0 | 0 | 115.5 | | |
| 278 | T | 34.9 | Very low | 33.1 | Very low | 151 Ų | 151 | 137.6 Ų | 137.6 | 93% | 0.926 | 74% | 0.74 | S | S | * | * | | | trans | -154.6 | 154.5 | 157.7 | 17.6 | 0 | 0 | 0 | 0 | 107.4 | | |
| 279 | Q | 32.6 | Very low | 33.9 | Very low | 193 Ų | 193 | 138.3 Ų | 138.3 | 90% | 0.902 | 74% | 0.737 | S | S | * | * | | | trans | -117.5 | 140.3 | -168.2 | -66.3 | 178.3 | -26.8 | 0 | 0 | 112.9 | | |
| 280 | S | 34.3 | Very low | 34.6 | Very low | 120 Ų | 120 | 139 Ų | 139 | 84% | 0.839 | 73% | 0.734 | S | S | * | * | | | trans | -118.6 | 156.1 | 151.4 | 68.2 | 0 | 0 | 0 | 0 | 109.8 | | |
| 281 | R | 32.5 | Very low | 35.6 | Very low | 238 Ų | 238 | 139.8 Ų | 139.8 | 90% | 0.898 | 73% | 0.725 | S | S | * | * | | | trans | -123.2 | 105.5 | -149.2 | -177.4 | -169.5 | -67.1 | -178.9 | -1.3 | 112.9 | | |
| 282 | I | 37 | Very low | 36.6 | Very low | 165 Ų | 165 | 137.8 Ų | 137.8 | 85% | 0.846 | 71% | 0.709 | S | S | * | * | | | trans | -124.7 | 147.8 | 177.5 | -58.3 | -177.6 | 0 | 0 | 0 | 111.3 | | |
| 283 | R | 33.6 | Very low | 37.9 | Very low | 230 Ų | 230 | 139.6 Ų | 139.6 | 87% | 0.868 | 71% | 0.705 | S | S | * | * | | | trans | -76.3 | 145.5 | -170.5 | -83.3 | 178.2 | 167.4 | 164.2 | -4.3 | 114.1 | | |
| 284 | P | 35.4 | Very low | 39.3 | Very low | 82 Ų | 82 | 143 Ų | 143 | 53% | 0.532 | 71% | 0.708 | S | S | . | * | | | trans | -72.6 | 151.8 | 166.3 | -8.6 | 24.9 | 0 | 0 | 0 | 112.5 | D288 | P284-D288 HydrophobicContact CB-CB 3.69Š|
| 285 | T | 35.6 | Very low | 40.6 | Very low | 86 Ų | 86 | 139.5 Ų | 139.5 | 53% | 0.528 | 70% | 0.695 | S | S | . | * | | | trans | -100.1 | 177.6 | 176 | 68.1 | 0 | 0 | 0 | 0 | 112.2 | V287 D288 F289 | T285-V287 PolarHBondContact O-N 3.26Å; T285-D288 PolarHBondContact N-OD2 3.1Å; T285-D288 WeakPolarHBondContact O-CB 3.44Å; T285-D288 PolarHBondContact O-N 3.19Å; T285-D288 PolarHBondContact OG1-OD2 3.22Å; T285-F289 PolarHBondContact O-N 3.14Å |
| 286 | S | 37.9 | Very low | 42 | Very low | 98 Ų | 98 | 137.7 Ų | 137.7 | 69% | 0.685 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -63.4 | -24.9 | -176.8 | 56.6 | 0 | 0 | 0 | 0 | 114.3 | | |
| 287 | V | 45.9 | Very low | 43.3 | Very low | 95 Ų | 95 | 140.4 Ų | 140.4 | 58% | 0.576 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -70.5 | -35.8 | 173.4 | -179.3 | 0 | 0 | 0 | 0 | 110.9 | T285 F289 Y290 R291 | T285-V287 PolarHBondContact O-N 3.26Å; V287-F289 VanDerWaalsContact C-N 3.33Å; V287-F289 PolarHBondContact O-N 2.84Å; V287-Y290 PolarHBondContact O-N 3.43Å; V287-Y290 VanDerWaalsContact O-N 3.12Å; V287-R291 PolarHBondContact O-N 3.43Å |
| 288 | D | 43.9 | Very low | 44.2 | Very low | 59 Ų | 59 | 136.9 Ų | 136.9 | 32% | 0.316 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -68 | -34.2 | 177.6 | -55.6 | -58.1 | 0 | 0 | 0 | 111.2 | P284 T285 Y290 R291 L292 | P284-D288 HydrophobicContact CB-CB 3.69Å; T285-D288 PolarHBondContact N-OD2 3.1Å; T285-D288 WeakPolarHBondContact O-CB 3.44Å; T285-D288 PolarHBondContact O-N 3.19Å; T285-D288 PolarHBondContact OG1-OD2 3.22Å; D288-Y290 VanDerWaalsContact C-N 3.28Å; D288-Y290 PolarHBondContact O-N 3.42Å; D288-R291 PolarHBondContact O-N 3.33Å; D288-L292 WeakPolarHBondContact O-CB 3.44Å; D288-L292 VanDerWaalsContact O-CG 3.31Å; D288-L292 WeakPolarHBondContact O-CG 3.34Å; D288-L292 PolarHBondContact O-N 3.11Å |
| 289 | F | 45.2 | Very low | 44.9 | Very low | 147 Ų | 147 | 134.5 Ų | 134.5 | 65% | 0.645 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -57.8 | -37.9 | 169.8 | -95.8 | -86.2 | 0 | 0 | 0 | 112.7 | T285 V287 R293 | T285-F289 PolarHBondContact O-N 3.14Å; V287-F289 VanDerWaalsContact C-N 3.33Å; V287-F289 PolarHBondContact O-N 2.84Å; F289-R293 WeakPolarHBondContact O-CB 3.32Å; F289-R293 PolarHBondContact O-N 3.25Å |
| 290 | Y | 44.2 | Very low | 45.8 | Very low | 175 Ų | 175 | 132.2 Ų | 132.2 | 69% | 0.686 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -73.7 | -36.8 | 175.2 | -100.8 | -92.5 | 0 | 0 | 0 | 112.9 | V287 D288 K294 | V287-Y290 PolarHBondContact O-N 3.43Å; V287-Y290 VanDerWaalsContact O-N 3.12Å; D288-Y290 VanDerWaalsContact C-N 3.28Å; D288-Y290 PolarHBondContact O-N 3.42Å; Y290-K294 WeakPolarHBondContact O-CB 3.39Å; Y290-K294 PolarHBondContact O-N 2.98Å |
| 291 | R | 49.4 | Very low | 46.4 | Very low | 178 Ų | 178 | 134.5 Ų | 134.5 | 67% | 0.672 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -67.5 | -47.7 | 173.6 | -78.3 | -172.7 | 168.4 | -133 | -0.6 | 111.9 | V287 D288 K294 M295 | V287-R291 PolarHBondContact O-N 3.43Å; D288-R291 PolarHBondContact O-N 3.33Å; R291-K294 PolarHBondContact O-N 3.42Å; R291-K294 VanDerWaalsContact O-N 3.16Å; R291-M295 WeakPolarHBondContact O-CG 3.36Å; R291-M295 PolarHBondContact O-N 2.91Å |
| 292 | L | 55.5 | Low | 46.9 | Very low | 89 Ų | 89 | 129.1 Ų | 129.1 | 47% | 0.466 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -58.1 | -47.8 | 173.4 | -75 | 164.4 | 0 | 0 | 0 | 111.1 | D288 K294 M295 H296 | D288-L292 WeakPolarHBondContact O-CB 3.44Å; D288-L292 VanDerWaalsContact O-CG 3.31Å; D288-L292 WeakPolarHBondContact O-CG 3.34Å; D288-L292 PolarHBondContact O-N 3.11Å; L292-K294 PolarHBondContact O-N 3.29Å; L292-M295 HydrophobicContact CD2-CE 4.47Å; L292-M295 PolarHBondContact O-N 3.14Å; L292-H296 WeakPolarHBondContact O-CB 3.32Å; L292-H296 PolarHBondContact O-N 2.61Å |
| 293 | R | 54.5 | Low | 47 | Very low | 180 Ų | 180 | 128.7 Ų | 128.7 | 68% | 0.679 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.3 | -24.4 | 177.9 | -162.5 | 175.9 | -161.9 | -178 | 6.1 | 113.2 | F289 K297 | F289-R293 WeakPolarHBondContact O-CB 3.32Å; F289-R293 PolarHBondContact O-N 3.25Å; R293-K297 PolarHBondContact O-N 3.09Å |
| 294 | K | 56.8 | Low | 47.2 | Very low | 170 Ų | 170 | 122.5 Ų | 122.5 | 74% | 0.739 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -82.6 | -42.6 | 173.9 | -159.3 | 172.1 | -174.9 | -179.4 | 0 | 112.1 | Y290 R291 L292 K297 G298 | Y290-K294 WeakPolarHBondContact O-CB 3.39Å; Y290-K294 PolarHBondContact O-N 2.98Å; R291-K294 PolarHBondContact O-N 3.42Å; R291-K294 VanDerWaalsContact O-N 3.16Å; L292-K294 PolarHBondContact O-N 3.29Å; K294-K297 PolarHBondContact O-N 3.19Å; K294-G298 PolarHBondContact O-N 3.06Å; K294-G298 VanDerWaalsContact O-N 3.1Å |
| 295 | M | 55.9 | Low | 46.9 | Very low | 115 Ų | 115 | 127 Ų | 127 | 57% | 0.567 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -64.1 | -41.5 | 171.6 | -67.8 | -157.3 | -57.3 | 0 | 0 | 111.6 | R291 L292 K297 G298 M299 | R291-M295 WeakPolarHBondContact O-CG 3.36Å; R291-M295 PolarHBondContact O-N 2.91Å; L292-M295 HydrophobicContact CD2-CE 4.47Å; L292-M295 PolarHBondContact O-N 3.14Å; M295-K297 PolarHBondContact O-N 2.93Å; M295-G298 CarbonylContact O-C 3.58Å; M295-G298 PolarHBondContact O-N 3.21Å; M295-M299 WeakPolarHBondContact O-CB 3.21Å; M295-M299 WeakPolarHBondContact O-CG 3.45Å; M295-M299 PolarHBondContact O-N 2.82Å |
| 296 | H | 58.6 | Low | 46.6 | Very low | 119 Ų | 119 | 130.9 Ų | 130.9 | 55% | 0.551 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -66.6 | -20.1 | 176.3 | -165.4 | -41.9 | 0 | 0 | 0 | 112.7 | L292 K300 | L292-H296 WeakPolarHBondContact O-CB 3.32Å; L292-H296 PolarHBondContact O-N 2.61Å; H296-K300 WeakPolarHBondContact O-CB 3.41Å; H296-K300 WeakPolarHBondContact O-CG 3.33Å; H296-K300 PolarHBondContact O-N 3.1Å |
| 297 | K | 57.1 | Low | 46.4 | Very low | 156 Ų | 156 | 129.9 Ų | 129.9 | 68% | 0.678 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -78.3 | -44.2 | 165.9 | -82.4 | -169.3 | 173.1 | -166.1 | 0 | 112.3 | R293 K294 M295 K300 Q301 | R293-K297 PolarHBondContact O-N 3.09Å; K294-K297 PolarHBondContact O-N 3.19Å; M295-K297 PolarHBondContact O-N 2.93Å; K297-K300 PolarHBondContact O-N 2.91Å; K297-Q301 PolarHBondContact O-N 3.38Å |
| 298 | G | 47.5 | Very low | 45.5 | Very low | 29 Ų | 29 | 135.6 Ų | 135.6 | 30% | 0.299 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -65.5 | -42.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | K294 M295 K300 Q301 L302 | K294-G298 PolarHBondContact O-N 3.06Å; K294-G298 VanDerWaalsContact O-N 3.1Å; M295-G298 CarbonylContact O-C 3.58Å; M295-G298 PolarHBondContact O-N 3.21Å; G298-K300 VanDerWaalsContact C-N 3.32Å; G298-K300 PolarHBondContact O-N 2.95Å; G298-Q301 WeakPolarHBondContact O-CA 3.48Å; G298-Q301 WeakPolarHBondContact O-CB 3.34Å; G298-Q301 PolarHBondContact O-N 2.88Å; G298-L302 PolarHBondContact O-N 3.44Å; G298-L302 VanDerWaalsContact O-N 3.1Å |
| 299 | M | 49.3 | Very low | 45 | Very low | 100 Ų | 100 | 142.6 Ų | 142.6 | 49% | 0.493 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -65 | -34.1 | 174.1 | -69.6 | 174.1 | 73.7 | 0 | 0 | 111.6 | M295 Q301 L302 F303 | M295-M299 WeakPolarHBondContact O-CB 3.21Å; M295-M299 WeakPolarHBondContact O-CG 3.45Å; M295-M299 PolarHBondContact O-N 2.82Å; M299-Q301 PolarHBondContact O-N 3.3Å; M299-L302 PolarHBondContact O-N 3.44Å; M299-L302 VanDerWaalsContact O-N 3.09Å; M299-F303 HydrophobicContact CB-CD2 4.06Å; M299-F303 HydrophobicContact CB-CE2 4.44Å; M299-F303 HydrophobicContact CE-CD2 4.4Å; M299-F303 HydrophobicContact CE-CE2 3.88Å; M299-F303 HydrophobicContact CG-CE2 4.43Å; M299-F303 WeakPolarHBondContact O-CB 3.4Å; M299-F303 WeakPolarHBondContact O-CD2 3.49Å; M299-F303 PolarHBondContact O-N 3.03Å |
| 300 | K | 51.9 | Low | 44.2 | Very low | 146 Ų | 146 | 141.1 Ų | 141.1 | 64% | 0.635 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -68.3 | -6.9 | 169.1 | -88.1 | -165.9 | 163.4 | -171.9 | 0 | 114.7 | H296 K297 G298 S304 | H296-K300 WeakPolarHBondContact O-CB 3.41Å; H296-K300 WeakPolarHBondContact O-CG 3.33Å; H296-K300 PolarHBondContact O-N 3.1Å; K297-K300 PolarHBondContact O-N 2.91Å; G298-K300 VanDerWaalsContact C-N 3.32Å; G298-K300 PolarHBondContact O-N 2.95Å; K300-S304 PolarHBondContact O-OG 3.34Å |
| 301 | Q | 47.7 | Very low | 43.8 | Very low | 168 Ų | 168 | 140.4 Ų | 140.4 | 79% | 0.785 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -100.4 | -19.5 | 167.2 | -66.1 | -178.2 | -61.9 | 0 | 0 | 112.8 | K297 G298 M299 | K297-Q301 PolarHBondContact O-N 3.38Å; G298-Q301 WeakPolarHBondContact O-CA 3.48Å; G298-Q301 WeakPolarHBondContact O-CB 3.34Å; G298-Q301 PolarHBondContact O-N 2.88Å; M299-Q301 PolarHBondContact O-N 3.3Å |
| 302 | L | 42.8 | Very low | 42.8 | Very low | 124 Ų | 124 | 137.4 Ų | 137.4 | 65% | 0.649 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -94.2 | -25.5 | 178.2 | -69.7 | 166.1 | 0 | 0 | 0 | 113.6 | G298 M299 | G298-L302 PolarHBondContact O-N 3.44Å; G298-L302 VanDerWaalsContact O-N 3.1Å; M299-L302 PolarHBondContact O-N 3.44Å; M299-L302 VanDerWaalsContact O-N 3.09Å |
| 303 | F | 38.1 | Very low | 41.5 | Very low | 157 Ų | 157 | 139.4 Ų | 139.4 | 69% | 0.689 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -104.5 | 18 | 179.8 | -71.5 | -82.4 | 0 | 0 | 0 | 113.7 | M299 F305 | M299-F303 HydrophobicContact CB-CD2 4.06Å; M299-F303 HydrophobicContact CB-CE2 4.44Å; M299-F303 HydrophobicContact CE-CD2 4.4Å; M299-F303 HydrophobicContact CE-CE2 3.88Å; M299-F303 HydrophobicContact CG-CE2 4.43Å; M299-F303 WeakPolarHBondContact O-CB 3.4Å; M299-F303 WeakPolarHBondContact O-CD2 3.49Å; M299-F303 PolarHBondContact O-N 3.03Å; F303-F305 VanDerWaalsContact C-N 3.28Å |
| 304 | S | 37.1 | Very low | 40.3 | Very low | 99 Ų | 99 | 138.1 Ų | 138.1 | 69% | 0.692 | 68% | 0.683 | S | S | * | * | | | trans | -96.3 | 43.7 | 164.4 | -70.4 | 0 | 0 | 0 | 0 | 111.8 | K300 | K300-S304 PolarHBondContact O-OG 3.34Š|
| 305 | F | 29.7 | Very low | 39 | Very low | 176 Ų | 176 | 137.5 Ų | 137.5 | 77% | 0.772 | 68% | 0.683 | S | S | * | * | | | trans | -78.1 | 161.2 | 152.6 | -89.7 | -94.2 | 0 | 0 | 0 | 109.5 | F303 | F303-F305 VanDerWaalsContact C-N 3.28Š|
| 306 | N | 29.3 | Very low | 37.8 | Very low | 168 Ų | 168 | 136.3 Ų | 136.3 | 90% | 0.898 | 69% | 0.686 | S | S | * | * | | | trans | 70.2 | 96.9 | -175.9 | -54.5 | -25.7 | 0 | 0 | 0 | 114.4 | | |
| 307 | G | 33.9 | Very low | 36.4 | Very low | 77 Ų | 77 | 139.2 Ų | 139.2 | 79% | 0.794 | 70% | 0.698 | S | S | * | * | | | trans | -175.7 | 43.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K309 | G307-K309 PolarHBondContact O-N 3.46Š|
| 308 | R | 26.5 | Very low | 35.1 | Very low | 216 Ų | 216 | 135.9 Ų | 135.9 | 82% | 0.815 | 69% | 0.693 | S | S | * | * | | | trans | -56.4 | 126.9 | -180 | -77.2 | -177.8 | 176.6 | 149.3 | -2.1 | 110.7 | E310 | R308-E310 WeakPolarHBondContact CD-OE2 3.31Å; R308-E310 IonicContact NE-OE2 3.86Å |
| 309 | K | 34.8 | Very low | 34.1 | Very low | 205 Ų | 205 | 140.3 Ų | 140.3 | 89% | 0.891 | 71% | 0.71 | S | S | * | * | | | trans | -142.3 | 85.1 | 140.1 | -119.1 | -176.8 | -179 | -173 | 0 | 109.9 | G307 | G307-K309 PolarHBondContact O-N 3.46Š|
| 310 | E | 26.9 | Very low | 33.2 | Very low | 116 Ų | 116 | 139.4 Ų | 139.4 | 54% | 0.542 | 71% | 0.71 | S | S | . | * | | | trans | -61.9 | 148.4 | 157.4 | -71.7 | 142 | 138.3 | 0 | 0 | 109.8 | R308 I312 | R308-E310 WeakPolarHBondContact CD-OE2 3.31Å; R308-E310 IonicContact NE-OE2 3.86Å; E310-I312 HydrophobicContact CB-CD1 3.71Å; E310-I312 HydrophobicContact CB-CG1 4.03Å; E310-I312 HydrophobicContact CG-CD1 4.12Å |
| 311 | N | 36.5 | Very low | 32.1 | Very low | 160 Ų | 160 | 139.4 Ų | 139.4 | 86% | 0.856 | 71% | 0.71 | S | S | * | * | | | trans | 170.4 | 74.9 | 171.4 | -95.5 | 7.5 | 0 | 0 | 0 | 102.8 | | |
| 312 | I | 28.8 | Very low | 31.3 | Very low | 115 Ų | 115 | 137.7 Ų | 137.7 | 59% | 0.59 | 70% | 0.702 | S | S | * | * | | | | 56.7 | 105 | 50.5 | -59.3 | -173.3 | 0 | 0 | 0 | 111.2 | E310 | E310-I312 HydrophobicContact CB-CD1 3.71Å; E310-I312 HydrophobicContact CB-CG1 4.03Å; E310-I312 HydrophobicContact CG-CD1 4.12Å |
| 313 | N | 27.9 | Very low | 30.8 | Very low | 132 Ų | 132 | 138.6 Ų | 138.6 | 71% | 0.706 | 71% | 0.707 | S | S | * | * | | | trans | 62.2 | 170.5 | 155.9 | -67 | -3.2 | 0 | 0 | 0 | 121 | | |
| 314 | E | 30.1 | Very low | 30.8 | Very low | 152 Ų | 152 | 140 Ų | 140 | 71% | 0.71 | 72% | 0.715 | S | S | * | * | | | trans | 74.4 | 131.2 | 155.3 | -75.5 | 139.9 | -117.4 | 0 | 0 | 117.9 | | |
| 315 | Q | 29.7 | Very low | 30.5 | Very low | 157 Ų | 157 | 143.2 Ų | 143.2 | 73% | 0.734 | 72% | 0.72 | S | S | * | * | | | cis | -165.6 | 139.6 | -9.7 | -133.1 | 173.9 | 27.1 | 0 | 0 | 111.7 | | |
| 316 | S | 29.9 | Very low | 30.4 | Very low | 91 Ų | 91 | 141.2 Ų | 141.2 | 64% | 0.636 | 72% | 0.717 | S | S | * | * | | | trans | 64.3 | 177.7 | 144.5 | 87.6 | 0 | 0 | 0 | 0 | 118.6 | | |
| 317 | F | 30 | Very low | 30.7 | Very low | 179 Ų | 179 | 142.4 Ų | 142.4 | 79% | 0.785 | 72% | 0.717 | S | S | * | * | | | cis | -136.3 | 124.1 | -22.3 | -99 | -57.2 | 0 | 0 | 0 | 105.8 | | |
| 318 | C | 28 | Very low | 30.4 | Very low | 86 Ų | 86 | 142.5 Ų | 142.5 | 58% | 0.581 | 71% | 0.71 | S | S | * | * | | | | 60.1 | 125.6 | 97.4 | -66 | 0 | 0 | 0 | 0 | 118.5 | | |
| 319 | N | 27.1 | Very low | 30.4 | Very low | 123 Ų | 123 | 141.5 Ų | 141.5 | 66% | 0.658 | 71% | 0.712 | S | S | * | * | | | trans | 55 | 132.6 | 133 | -49.5 | -17.9 | 0 | 0 | 0 | 121.1 | R886 | N319-R886 PolarHBondContact O-NH1 2.62Å; N319-R886 PolarHBondContact O-NH2 3.18Å |
| 320 | T | 30.8 | Very low | 30.2 | Very low | 80 Ų | 80 | 142.6 Ų | 142.6 | 49% | 0.491 | 71% | 0.71 | S | S | . | * | | | | 168.7 | 98.6 | 96.1 | 42.6 | 0 | 0 | 0 | 0 | 114.1 | R886 Y887 | T320-R886 PolarHBondContact O-NH1 3.08Å; T320-R886 PolarHBondContact OG1-NH1 2.76Å; T320-Y887 PolarHBondContact O-OH 2.73Å |
| 321 | K | 28.8 | Very low | 30.2 | Very low | 147 Ų | 147 | 141.8 Ų | 141.8 | 64% | 0.639 | 72% | 0.718 | S | S | * | * | | | trans | 60.8 | 155.6 | 148.2 | -48.9 | 178.3 | 179.8 | 178.6 | 0 | 123.1 | Y887 | K321-Y887 VanDerWaalsContact C-CE1 3.41Å; K321-Y887 WeakPolarHBondContact O-CE1 3.41Å; K321-Y887 PolarHBondContact O-OH 2.76Å; K321-Y887 VanDerWaalsContact O-OH 3.05Å |
| 322 | Q | 30.5 | Very low | 29.7 | Very low | 131 Ų | 131 | 138.2 Ų | 138.2 | 61% | 0.612 | 71% | 0.705 | S | S | * | * | | | trans | 86.7 | 128.9 | 134.2 | -85.7 | 159.1 | -46.1 | 0 | 0 | 122.9 | | |
| 323 | L | 31.9 | Very low | 29.6 | Very low | 143 Ų | 143 | 141.1 Ų | 141.1 | 75% | 0.749 | 71% | 0.714 | S | S | * | * | | | trans | 60.6 | 148.4 | 153.2 | -84.6 | 69.4 | 0 | 0 | 0 | 117.4 | | |
| 324 | E | 37.6 | Very low | 29.6 | Very low | 187 Ų | 187 | 140.3 Ų | 140.3 | 87% | 0.874 | 71% | 0.714 | S | S | * | * | | | cis | -122.6 | 133.9 | 18.9 | -71.2 | 179.4 | 118.6 | 0 | 0 | 115.1 | | |
| 325 | E | 31.9 | Very low | 29.5 | Very low | 167 Ų | 167 | 139.9 Ų | 139.9 | 78% | 0.78 | 71% | 0.712 | S | S | * | * | | | trans | -101.5 | 161.1 | 152.1 | -178.6 | 174.4 | -148.1 | 0 | 0 | 107.1 | | |
| 326 | N | 28.1 | Very low | 29.4 | Very low | 134 Ų | 134 | 137.6 Ų | 137.6 | 72% | 0.717 | 70% | 0.704 | S | S | * | * | | | trans | 89.5 | 81.9 | 177 | -50.8 | -81 | 0 | 0 | 0 | 118.7 | | |
| 327 | Q | 33.9 | Very low | 29.4 | Very low | 193 Ų | 193 | 140.5 Ų | 140.5 | 90% | 0.902 | 71% | 0.705 | S | S | * | * | | | trans | -165.6 | 103.9 | 131.2 | -108.6 | 162.9 | 100.8 | 0 | 0 | 108 | | |
| 328 | A | 28.1 | Very low | 29.4 | Very low | 78 Ų | 78 | 139.1 Ų | 139.1 | 65% | 0.645 | 70% | 0.702 | S | S | * | * | | | cis | 74.6 | 109.7 | 37.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 329 | K | 27.7 | Very low | 29.4 | Very low | 195 Ų | 195 | 142.4 Ų | 142.4 | 85% | 0.848 | 71% | 0.713 | S | S | * | * | | | trans | 49.1 | 102.4 | 147.4 | -58.9 | 173.8 | -179.5 | 174.3 | 0 | 118.6 | | |
| 330 | R | 29.5 | Very low | 29.6 | Very low | 229 Ų | 229 | 140.9 Ų | 140.9 | 86% | 0.864 | 72% | 0.717 | S | S | * | * | | | trans | 165.8 | 130.5 | 136.8 | -89.5 | 150.1 | -176.3 | -169.7 | -0.5 | 106.7 | | |
| 331 | S | 26.7 | Very low | 29.7 | Very low | 99 Ų | 99 | 142.4 Ų | 142.4 | 69% | 0.692 | 73% | 0.731 | S | S | * | * | | | | 61.6 | 136.9 | 52.2 | 97.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 332 | S | 27.3 | Very low | 30.1 | Very low | 84 Ų | 84 | 141 Ų | 141 | 59% | 0.587 | 74% | 0.736 | S | S | * | * | | | cis | -178.9 | 179 | 18.4 | 28.2 | 0 | 0 | 0 | 0 | 109.1 | | |
| 333 | F | 26.2 | Very low | 29.9 | Very low | 177 Ų | 177 | 140.7 Ų | 140.7 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | | | trans | 70.3 | 105.5 | 158.8 | -72.4 | -63.9 | 0 | 0 | 0 | 115.9 | | |
| 334 | T | 28.5 | Very low | 29.9 | Very low | 115 Ų | 115 | 139.8 Ų | 139.8 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | | | | 75.3 | 149.5 | 98.3 | 54 | 0 | 0 | 0 | 0 | 113.9 | | |
| 335 | E | 28.1 | Very low | 29.5 | Very low | 143 Ų | 143 | 135.4 Ų | 135.4 | 67% | 0.668 | 73% | 0.734 | S | S | * | * | | | cis | -154 | 179.6 | 12.8 | -141.2 | -177.5 | 108.6 | 0 | 0 | 111.9 | | |
| 336 | N | 26.1 | Very low | 29.6 | Very low | 109 Ų | 109 | 134.1 Ų | 134.1 | 58% | 0.583 | 73% | 0.731 | S | S | * | * | | | trans | 11.5 | 143 | 135.5 | -79.1 | -25.9 | 0 | 0 | 0 | 119.3 | | |
| 337 | K | 30.7 | Very low | 29.7 | Very low | 151 Ų | 151 | 134.1 Ų | 134.1 | 66% | 0.657 | 73% | 0.731 | S | S | * | * | | | cis | -166.7 | 140.7 | 24.2 | -110 | 153.9 | -168 | 156.1 | 0 | 108.4 | | |
| 338 | Q | 29.3 | Very low | 29.8 | Very low | 151 Ų | 151 | 130.4 Ų | 130.4 | 71% | 0.706 | 72% | 0.717 | S | S | * | * | | | | 86.2 | 152.2 | 85.4 | -160.7 | -172.5 | 11.3 | 0 | 0 | 114.2 | | |
| 339 | L | 29.3 | Very low | 30 | Very low | 155 Ų | 155 | 134.2 Ų | 134.2 | 81% | 0.812 | 72% | 0.72 | S | S | * | * | | | trans | 75.3 | 140.6 | 173.6 | -48.4 | 175.3 | 0 | 0 | 0 | 116.2 | | |
| 340 | A | 30.9 | Very low | 30.2 | Very low | 91 Ų | 91 | 129.9 Ų | 129.9 | 75% | 0.752 | 71% | 0.709 | S | S | * | * | | | cis | -158.5 | 153.9 | -20.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 341 | S | 31.9 | Very low | 30.4 | Very low | 112 Ų | 112 | 125 Ų | 125 | 78% | 0.783 | 70% | 0.701 | S | S | * | * | | | trans | -85.7 | 167 | 167.3 | -48 | 0 | 0 | 0 | 0 | 111.1 | | |
| 342 | P | 37.1 | Very low | 30.8 | Very low | 116 Ų | 116 | 128 Ų | 128 | 75% | 0.753 | 70% | 0.703 | S | S | * | * | | | | -142.8 | 154.6 | 87.3 | 36.8 | -18.4 | 0 | 0 | 0 | 114.3 | | |
| 343 | V | 27.7 | Very low | 30.8 | Very low | 125 Ų | 125 | 129.4 Ų | 129.4 | 76% | 0.758 | 71% | 0.709 | S | S | * | * | | | | 57.4 | 129.2 | 96.8 | -162.7 | 0 | 0 | 0 | 0 | 112 | | |
| 344 | T | 31.2 | Very low | 31.2 | Very low | 124 Ų | 124 | 125.9 Ų | 125.9 | 76% | 0.761 | 71% | 0.706 | S | S | * | * | | | | -153 | 163.8 | 55.4 | -39 | 0 | 0 | 0 | 0 | 115.3 | | |
| 345 | S | 29.9 | Very low | 31.2 | Very low | 96 Ų | 96 | 128.6 Ų | 128.6 | 67% | 0.671 | 72% | 0.715 | S | S | * | * | | | trans | -59.8 | 174.3 | 171.4 | 48.7 | 0 | 0 | 0 | 0 | 114.4 | | |
| 346 | I | 33.2 | Very low | 31.2 | Very low | 140 Ų | 140 | 128.6 Ų | 128.6 | 72% | 0.718 | 72% | 0.719 | S | S | * | * | | | | -163.5 | 148.8 | 65.9 | -75.6 | 171.4 | 0 | 0 | 0 | 111.3 | | |
| 347 | N | 30.6 | Very low | 31.3 | Very low | 134 Ų | 134 | 129.9 Ų | 129.9 | 72% | 0.717 | 73% | 0.726 | S | S | * | * | | | trans | 12.6 | 153.8 | 152.3 | -50.9 | -8.3 | 0 | 0 | 0 | 121 | | |
| 348 | D | 36 | Very low | 31.1 | Very low | 114 Ų | 114 | 127.2 Ų | 127.2 | 61% | 0.61 | 73% | 0.727 | S | S | * | * | | | cis | -154.9 | 162.3 | 35.2 | -130.9 | -28.2 | 0 | 0 | 0 | 115.6 | | |
| 349 | K | 32.8 | Very low | 31 | Very low | 159 Ų | 159 | 124.9 Ų | 124.9 | 69% | 0.691 | 73% | 0.727 | S | S | * | * | | | trans | 7.4 | 152.3 | 150.2 | -73.3 | 174.5 | -153.7 | 88.9 | 0 | 121.5 | | |
| 350 | T | 32.1 | Very low | 30.8 | Very low | 103 Ų | 103 | 124 Ų | 124 | 63% | 0.632 | 72% | 0.723 | S | S | * | * | | | cis | -161.2 | 153.7 | 11.3 | 2.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 351 | D | 33.8 | Very low | 30.7 | Very low | 127 Ų | 127 | 130.3 Ų | 130.3 | 68% | 0.679 | 73% | 0.728 | S | S | * | * | | | trans | 54 | 156.3 | 137.1 | -59.3 | -13.5 | 0 | 0 | 0 | 122.5 | | |
| 352 | H | 33.5 | Very low | 30.4 | Very low | 162 Ų | 162 | 131.2 Ų | 131.2 | 75% | 0.75 | 72% | 0.724 | S | S | * | * | | | cis | -169.6 | 145 | -17.8 | -116 | 60 | 0 | 0 | 0 | 105 | | |
| 353 | T | 28.5 | Very low | 29.9 | Very low | 114 Ų | 114 | 133.7 Ų | 133.7 | 70% | 0.699 | 72% | 0.723 | S | S | * | * | | | cis | -157.7 | 169 | -21.5 | -53.1 | 0 | 0 | 0 | 0 | 106.9 | | |
| 354 | S | 33.4 | Very low | 29.9 | Very low | 102 Ų | 102 | 135.3 Ų | 135.3 | 71% | 0.713 | 72% | 0.72 | S | S | * | * | | | trans | -86.3 | 166.4 | 172.7 | 59.9 | 0 | 0 | 0 | 0 | 113.3 | | |
| 355 | L | 28.5 | Very low | 29.6 | Very low | 172 Ų | 172 | 140 Ų | 140 | 90% | 0.901 | 72% | 0.724 | S | S | * | * | | | trans | -163.8 | 166 | 132.9 | -111.5 | 171.1 | 0 | 0 | 0 | 112 | | |
| 356 | N | 29.2 | Very low | 29.4 | Very low | 143 Ų | 143 | 141.4 Ų | 141.4 | 77% | 0.765 | 73% | 0.728 | S | S | * | * | | | trans | -128 | 177.2 | -165.4 | -150.8 | 16.5 | 0 | 0 | 0 | 111.6 | | |
| 357 | D | 28 | Very low | 29.1 | Very low | 136 Ų | 136 | 141.9 Ų | 141.9 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | | | trans | 81.9 | -178.9 | 153.9 | -124.1 | -63.2 | 0 | 0 | 0 | 120.4 | | |
| 358 | S | 27.2 | Very low | 28.9 | Very low | 95 Ų | 95 | 143 Ų | 143 | 66% | 0.664 | 74% | 0.736 | S | S | * | * | | | trans | -106.2 | 151 | -136.6 | 53 | 0 | 0 | 0 | 0 | 116.4 | | |
| 359 | S | 25.7 | Very low | 28.4 | Very low | 103 Ų | 103 | 148.1 Ų | 148.1 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | | | | 163.3 | 157.7 | 121.6 | 57 | 0 | 0 | 0 | 0 | 114.3 | | |
| 360 | N | 26.5 | Very low | 28.1 | Very low | 136 Ų | 136 | 144.1 Ų | 144.1 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | | | trans | 16.3 | 106.9 | 152.2 | -77.5 | -42.8 | 0 | 0 | 0 | 119.5 | | |
| 361 | R | 28 | Very low | 27.8 | Very low | 223 Ų | 223 | 148.2 Ų | 148.2 | 84% | 0.842 | 75% | 0.748 | S | S | * | * | | | | -174.3 | 153.9 | 102 | -104.3 | 155.8 | -76.6 | -157.3 | -3.5 | 116.5 | | |
| 362 | N | 26 | Very low | 27.3 | Very low | 132 Ų | 132 | 146.8 Ų | 146.8 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | | | trans | -40.3 | 142.6 | 164.5 | -49.2 | -64.3 | 0 | 0 | 0 | 114.8 | | |
| 363 | F | 26.8 | Very low | 26.8 | Very low | 167 Ų | 167 | 145.1 Ų | 145.1 | 73% | 0.732 | 75% | 0.753 | S | S | * | * | | | | 175 | 152.9 | 98.8 | -105 | -64.2 | 0 | 0 | 0 | 115.1 | | |
| 364 | K | 27.1 | Very low | 27.2 | Very low | 160 Ų | 160 | 147.3 Ų | 147.3 | 70% | 0.696 | 76% | 0.761 | S | S | * | * | | | trans | 53.5 | 121.7 | 153.3 | -73 | 142.8 | -172.4 | 164.5 | 0 | 118.4 | | |
| 365 | R | 25.7 | Very low | 27 | Very low | 223 Ų | 223 | 148.2 Ų | 148.2 | 84% | 0.842 | 77% | 0.765 | S | S | * | * | | | cis | 79.3 | 134.4 | 47.3 | -169.8 | -168.4 | -157.1 | 173.8 | 7.6 | 112.4 | | |
| 366 | T | 24.9 | Very low | 26.9 | Very low | 125 Ų | 125 | 151 Ų | 151 | 77% | 0.767 | 76% | 0.763 | S | S | * | * | | | trans | 66.5 | 152.2 | 178.6 | 19.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 367 | I | 26.2 | Very low | 26.8 | Very low | 150 Ų | 150 | 149 Ų | 149 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | | | cis | -129.4 | 145.2 | 26.6 | -70.3 | 173.7 | 0 | 0 | 0 | 113.1 | | |
| 368 | L | 28.2 | Very low | 26.8 | Very low | 158 Ų | 158 | 149.7 Ų | 149.7 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | | | trans | -81.6 | 124.2 | 163.1 | -82.5 | 150.5 | 0 | 0 | 0 | 111.6 | | |
| 369 | R | 24.2 | Very low | 26.9 | Very low | 220 Ų | 220 | 150.4 Ų | 150.4 | 83% | 0.83 | 77% | 0.768 | S | S | * | * | | | trans | -145.6 | 122.9 | 142.8 | -67.6 | -168 | 179.4 | 171.2 | -0.1 | 106 | | |
| 370 | S | 27.1 | Very low | 27.2 | Very low | 76 Ų | 76 | 152.7 Ų | 152.7 | 53% | 0.531 | 77% | 0.772 | S | S | . | * | | | cis | 68.1 | 138.7 | 39 | 88.9 | 0 | 0 | 0 | 0 | 113.6 | | |
| 371 | F | 24.6 | Very low | 27.5 | Very low | 188 Ų | 188 | 154.3 Ų | 154.3 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | | | trans | 69.6 | 141.2 | -173.1 | -40.4 | -69.3 | 0 | 0 | 0 | 114.4 | | |
| 372 | S | 24 | Very low | 27.7 | Very low | 97 Ų | 97 | 151.5 Ų | 151.5 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | | | cis | -170.6 | 146.3 | -16.9 | 45 | 0 | 0 | 0 | 0 | 111.4 | | |
| 373 | C | 24.1 | Very low | 28 | Very low | 127 Ų | 127 | 156.4 Ų | 156.4 | 86% | 0.858 | 77% | 0.773 | S | S | * | * | | | trans | 69.7 | 154.7 | 157.7 | -61.6 | 0 | 0 | 0 | 0 | 120 | | |
| 374 | N | 35.8 | Very low | 28.2 | Very low | 160 Ų | 160 | 157.8 Ų | 157.8 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | | | trans | -55.1 | 154 | 171.2 | -65.2 | -35.1 | 0 | 0 | 0 | 112 | | |
| 375 | P | 30.3 | Very low | 28.4 | Very low | 122 Ų | 122 | 156.5 Ų | 156.5 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | | | | -141.5 | -171.4 | 95.5 | 40.6 | -28.1 | 0 | 0 | 0 | 114.4 | | |
| 376 | R | 24.4 | Very low | 28.6 | Very low | 229 Ų | 229 | 155.1 Ų | 155.1 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | | | trans | -68.1 | 148.1 | 165.4 | -70 | 160.4 | 144.8 | 176.8 | -11 | 110.8 | | |
| 377 | S | 27.2 | Very low | 29 | Very low | 103 Ų | 103 | 155 Ų | 155 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | | | trans | 60.6 | 132.5 | 150.2 | 53.8 | 0 | 0 | 0 | 0 | 122.2 | | |
| 378 | N | 28.4 | Very low | 29.2 | Very low | 149 Ų | 149 | 156.1 Ų | 156.1 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | | | trans | 73 | 111.9 | 145.8 | -66.8 | 16 | 0 | 0 | 0 | 123.2 | | |
| 379 | C | 30.6 | Very low | 29.4 | Very low | 110 Ų | 110 | 155.6 Ų | 155.6 | 74% | 0.743 | 79% | 0.791 | S | S | * | * | | | | 77.8 | 127.8 | 125.9 | -54.8 | 0 | 0 | 0 | 0 | 124.6 | | |
| 380 | D | 31.7 | Very low | 29.7 | Very low | 152 Ų | 152 | 151.8 Ų | 151.8 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | | | trans | 83.9 | 165.8 | 139.3 | -99.6 | -64 | 0 | 0 | 0 | 125.5 | | |
| 381 | H | 32 | Very low | 29.9 | Very low | 170 Ų | 170 | 157.7 Ų | 157.7 | 79% | 0.787 | 80% | 0.802 | S | S | * | * | | | trans | -123.9 | 149.3 | -157.6 | -70 | -3 | 0 | 0 | 0 | 116.5 | | |
| 382 | R | 32.6 | Very low | 30.2 | Very low | 164 Ų | 164 | 154.1 Ų | 154.1 | 62% | 0.619 | 80% | 0.8 | S | S | * | * | | | | -176 | 173.5 | 126.6 | -101.7 | 166.7 | -162 | -124.7 | -0.2 | 114.6 | N981 | R382-N981 PolarHBondContact NH1-OD1 3.23Å; R382-N981 PolarHBondContact NH2-OD1 2.85Å |
| 383 | R | 31.5 | Very low | 30.4 | Very low | 235 Ų | 235 | 157.9 Ų | 157.9 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | | | trans | -127.1 | 159.9 | -174.4 | -54.1 | 176.8 | -175.1 | 163.9 | 0.7 | 112.8 | | |
| 384 | K | 32.2 | Very low | 30.7 | Very low | 196 Ų | 196 | 159.9 Ų | 159.9 | 85% | 0.852 | 81% | 0.809 | S | S | * | * | | | trans | -161.4 | 165.3 | 148 | -105.7 | 171 | -175.6 | -174.5 | 0 | 111.2 | | |
| 385 | V | 31 | Very low | 30.2 | Very low | 132 Ų | 132 | 157.8 Ų | 157.8 | 80% | 0.8 | 80% | 0.801 | S | S | * | * | | | trans | -154.5 | 163.8 | -156.1 | 164.2 | 0 | 0 | 0 | 0 | 114 | | |
| 386 | K | 30.1 | Very low | 30 | Very low | 195 Ų | 195 | 158.7 Ų | 158.7 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | | | trans | 84.8 | 161.4 | 166.1 | -97 | -179.7 | 176.4 | -176.4 | 0 | 117.5 | | |
| 387 | P | 32 | Very low | 30 | Very low | 123 Ų | 123 | 150.9 Ų | 150.9 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | | | cis | -125.8 | -159.7 | 2.3 | 39.3 | -20.5 | 0 | 0 | 0 | 116.1 | | |
| 388 | Q | 31.8 | Very low | 30.1 | Very low | 172 Ų | 172 | 153.4 Ų | 153.4 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | trans | -121.6 | 164.1 | -173.4 | -61.7 | 174.3 | -78.4 | 0 | 0 | 113.8 | | |
| 389 | T | 32.9 | Very low | 29.9 | Very low | 147 Ų | 147 | 152.7 Ų | 152.7 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | | | trans | -141.2 | 152.8 | 158.4 | -43.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 390 | I | 28.9 | Very low | 29.8 | Very low | 141 Ų | 141 | 151.6 Ų | 151.6 | 72% | 0.723 | 80% | 0.801 | S | S | * | * | | | trans | -137.2 | 136.6 | -175.8 | -62.2 | 170.3 | 0 | 0 | 0 | 112 | | |
| 391 | K | 31.5 | Very low | 29.7 | Very low | 200 Ų | 200 | 150.7 Ų | 150.7 | 87% | 0.87 | 80% | 0.796 | S | S | * | * | | | trans | -177.9 | 156.1 | 157.3 | -99.2 | 163.9 | -177 | 179.6 | 0 | 106.7 | | |
| 392 | S | 31.4 | Very low | 29.4 | Very low | 112 Ų | 112 | 147.8 Ų | 147.8 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | | | cis | -158.6 | -174.9 | -11.6 | 45 | 0 | 0 | 0 | 0 | 108.8 | | |
| 393 | Q | 27.9 | Very low | 29.2 | Very low | 177 Ų | 177 | 150.3 Ų | 150.3 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | | | trans | -105.2 | 158.8 | 173.6 | -66.6 | 173.1 | -75.5 | 0 | 0 | 112.4 | | |
| 394 | N | 29.6 | Very low | 29 | Very low | 169 Ų | 169 | 142.3 Ų | 142.3 | 90% | 0.904 | 79% | 0.788 | S | S | * | * | | | trans | -157.5 | 168.1 | 136.1 | -113.9 | -16.8 | 0 | 0 | 0 | 111.6 | | |
| 395 | V | 26 | Very low | 28.7 | Very low | 115 Ų | 115 | 142.5 Ų | 142.5 | 70% | 0.697 | 79% | 0.789 | S | S | * | * | | | trans | -129.3 | 174 | -164.1 | 178 | 0 | 0 | 0 | 0 | 110.9 | | |
| 396 | T | 25.9 | Very low | 28.3 | Very low | 142 Ų | 142 | 148.2 Ų | 148.2 | 87% | 0.871 | 80% | 0.796 | S | S | * | * | | | trans | 83.2 | 144 | 179.4 | 74.1 | 0 | 0 | 0 | 0 | 115.5 | | |
| 397 | G | 25.9 | Very low | 28.1 | Very low | 64 Ų | 64 | 145.7 Ų | 145.7 | 66% | 0.66 | 79% | 0.791 | S | S | * | * | | | cis | -179.1 | -176.5 | -6.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 398 | N | 27.5 | Very low | 27.7 | Very low | 157 Ų | 157 | 148 Ų | 148 | 84% | 0.84 | 79% | 0.791 | S | S | * | * | | | trans | 76.7 | 119.6 | 162.2 | -58.7 | -4.3 | 0 | 0 | 0 | 120.5 | | |
| 399 | T | 25.3 | Very low | 27.5 | Very low | 134 Ų | 134 | 147.3 Ų | 147.3 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | | | trans | 9 | 144.2 | 132.6 | 43.9 | 0 | 0 | 0 | 0 | 119.9 | | |
| 400 | A | 27.8 | Very low | 27.2 | Very low | 86 Ų | 86 | 147.2 Ų | 147.2 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | | | cis | -165.5 | -155.8 | -1 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 401 | D | 29.1 | Very low | 27.1 | Very low | 133 Ų | 133 | 145.8 Ų | 145.8 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | | | cis | -162.9 | 164.9 | 7 | -158.7 | 14.8 | 0 | 0 | 0 | 115.1 | | |
| 402 | N | 27.6 | Very low | 26.8 | Very low | 110 Ų | 110 | 142 Ų | 142 | 59% | 0.588 | 76% | 0.764 | S | S | * | * | | | trans | 61.2 | 149.6 | 145.4 | -105.7 | -47.4 | 0 | 0 | 0 | 125.5 | | |
| 403 | Y | 26.6 | Very low | 26.7 | Very low | 217 Ų | 217 | 144.4 Ų | 144.4 | 85% | 0.851 | 77% | 0.767 | S | S | * | * | | | trans | 59.7 | 103.4 | 171.4 | -65.3 | -72 | 0 | 0 | 0 | 120.7 | | |
| 404 | G | 28.4 | Very low | 26.5 | Very low | 67 Ų | 67 | 140.1 Ų | 140.1 | 69% | 0.691 | 76% | 0.756 | S | S | * | * | | | trans | 170 | 31.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | W406 | G404-W406 PolarHBondContact O-N 3.5Å; G404-W406 VanDerWaalsContact O-N 3.1Å |
| 405 | K | 24.9 | Very low | 26.5 | Very low | 200 Ų | 200 | 139.3 Ų | 139.3 | 87% | 0.87 | 75% | 0.751 | S | S | * | * | | | trans | -54.8 | 113.1 | -170.8 | -76.9 | -175.8 | 177.3 | 177 | 0 | 113.9 | | |
| 406 | W | 23.2 | Very low | 26.6 | Very low | 251 Ų | 251 | 139 Ų | 139 | 95% | 0.951 | 75% | 0.754 | S | S | * | * | | | trans | -99.5 | 129.5 | 152.8 | -77.4 | 72.2 | 0 | 0 | 0 | 108.7 | G404 | G404-W406 PolarHBondContact O-N 3.5Å; G404-W406 VanDerWaalsContact O-N 3.1Å |
| 407 | I | 25.1 | Very low | 26.6 | Very low | 143 Ų | 143 | 141.1 Ų | 141.1 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | | | trans | -99.4 | 111 | 177.1 | -62.4 | 177.3 | 0 | 0 | 0 | 108.1 | L409 | I407-L409 HydrophobicContact CG2-CG 4.38Å; I407-L409 PolarHBondContact O-N 3.29Å |
| 408 | E | 24.2 | Very low | 26.6 | Very low | 172 Ų | 172 | 145.3 Ų | 145.3 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | | | trans | -89.4 | 96.9 | -178.5 | -172.2 | 170.7 | -138.6 | 0 | 0 | 110.5 | | |
| 409 | L | 27.4 | Very low | 26.8 | Very low | 157 Ų | 157 | 146 Ų | 146 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 117.9 | 173.8 | -74.6 | 175.8 | 0 | 0 | 0 | 110.9 | I407 | I407-L409 HydrophobicContact CG2-CG 4.38Å; I407-L409 PolarHBondContact O-N 3.29Å |
| 410 | N | 27.8 | Very low | 26.8 | Very low | 145 Ų | 145 | 143.6 Ų | 143.6 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 140.6 | -173.8 | -98.2 | -67.2 | 0 | 0 | 0 | 113.2 | | |
| 411 | K | 26.5 | Very low | 26.8 | Very low | 111 Ų | 111 | 149.6 Ų | 149.6 | 48% | 0.483 | 77% | 0.766 | S | S | . | * | P | Polyproline II helix | trans | -86.8 | 121.9 | 178.1 | -62.4 | 160.5 | 177.2 | 170.1 | 0 | 110.5 | P24 | P24-K411 HydrophobicContact CB-CD 4.12Å; P24-K411 HydrophobicContact CG-CB 3.79Å; P24-K411 HydrophobicContact CG-CD 3.42Å; P24-K411 VanDerWaalsContact CG-CD 3.42Å; P24-K411 HydrophobicContact CG-CG 4.3Å |
| 412 | N | 25.6 | Very low | 26.8 | Very low | 121 Ų | 121 | 149.2 Ų | 149.2 | 65% | 0.647 | 77% | 0.774 | S | S | * | * | | | trans | -154.5 | 102.8 | 158.4 | -87.1 | -35.8 | 0 | 0 | 0 | 109.6 | | |
| 413 | L | 27.8 | Very low | 26.8 | Very low | 162 Ų | 162 | 155.1 Ų | 155.1 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | | | trans | -151.3 | 117 | 153.4 | -153.5 | 77.8 | 0 | 0 | 0 | 109 | L415 | L413-L415 HydrophobicContact CD2-CD1 3.99Å; L413-L415 HydrophobicContact CG-CD1 4.36Å |
| 414 | S | 24.9 | Very low | 26.7 | Very low | 86 Ų | 86 | 151.6 Ų | 151.6 | 60% | 0.601 | 78% | 0.783 | S | S | * | * | | | trans | -106.9 | 125.1 | 174 | 50.1 | 0 | 0 | 0 | 0 | 108.7 | | |
| 415 | L | 29.3 | Very low | 26.6 | Very low | 153 Ų | 153 | 157 Ų | 157 | 80% | 0.801 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -98.8 | 152.4 | 163.4 | -94 | 80.5 | 0 | 0 | 0 | 110.6 | L413 | L413-L415 HydrophobicContact CD2-CD1 3.99Å; L413-L415 HydrophobicContact CG-CD1 4.36Å |
| 416 | S | 27.5 | Very low | 26.7 | Very low | 109 Ų | 109 | 152.5 Ų | 152.5 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 169.6 | -169 | 48.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 417 | K | 25.6 | Very low | 26.8 | Very low | 186 Ų | 186 | 145.6 Ų | 145.6 | 81% | 0.809 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -64 | 164.1 | 153.7 | -64.4 | 176.4 | -179.9 | 176.5 | 0 | 109.2 | | |
| 418 | N | 26.2 | Very low | 26.8 | Very low | 152 Ų | 152 | 144 Ų | 144 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | | | trans | 72.2 | 71 | -176.8 | -50.5 | -0.6 | 0 | 0 | 0 | 113 | | |
| 419 | D | 31.1 | Very low | 26.8 | Very low | 171 Ų | 171 | 145 Ų | 145 | 91% | 0.914 | 76% | 0.763 | S | S | * | * | | | trans | -150.1 | 133 | 130.7 | -105.7 | -31.5 | 0 | 0 | 0 | 109.7 | | |
| 420 | A | 26 | Very low | 26.8 | Very low | 84 Ų | 84 | 141.4 Ų | 141.4 | 69% | 0.694 | 75% | 0.752 | S | S | * | * | | | trans | -104.4 | 149.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 421 | K | 27.7 | Very low | 26.9 | Very low | 212 Ų | 212 | 144.2 Ų | 144.2 | 92% | 0.922 | 76% | 0.76 | S | S | * | * | | | trans | 71.8 | 87 | -176.2 | -47.4 | 175.2 | -178.6 | -179.4 | 0 | 114.5 | | |
| 422 | S | 29.2 | Very low | 27.1 | Very low | 125 Ų | 125 | 144.8 Ų | 144.8 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | | | trans | -129.3 | 145.8 | 152.4 | 50.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 423 | R | 27.8 | Very low | 27.2 | Very low | 234 Ų | 234 | 146 Ų | 146 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | | | trans | -99 | 162.4 | -151.2 | -68.8 | 162.4 | 72.4 | 178.9 | 2.6 | 114.3 | | |
| 424 | L | 25.1 | Very low | 27.4 | Very low | 143 Ų | 143 | 143.3 Ų | 143.3 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | | | trans | -54.1 | 146.8 | -176.7 | -69.3 | 150.9 | 0 | 0 | 0 | 115.1 | V426 | L424-V426 HydrophobicContact CB-CG2 3.74Å; L424-V426 HydrophobicContact CD1-CG2 3.99Å; L424-V426 HydrophobicContact CG-CG2 4.4Å; L424-V426 PolarHBondContact O-N 3.19Å |
| 425 | H | 26.4 | Very low | 27.6 | Very low | 181 Ų | 181 | 143.7 Ų | 143.7 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | | | trans | -88.1 | 85.5 | 147.6 | -90.2 | -68.3 | 0 | 0 | 0 | 109.2 | | |
| 426 | V | 25.6 | Very low | 27.7 | Very low | 105 Ų | 105 | 143.3 Ų | 143.3 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | | | trans | -72.2 | 127.8 | 166.9 | -178.2 | 0 | 0 | 0 | 0 | 108.5 | L424 | L424-V426 HydrophobicContact CB-CG2 3.74Å; L424-V426 HydrophobicContact CD1-CG2 3.99Å; L424-V426 HydrophobicContact CG-CG2 4.4Å; L424-V426 PolarHBondContact O-N 3.19Å |
| 427 | V | 26.6 | Very low | 27.7 | Very low | 106 Ų | 106 | 146.9 Ų | 146.9 | 64% | 0.642 | 76% | 0.763 | S | S | * | * | | | trans | -101.9 | 90.5 | 167.8 | -179.6 | 0 | 0 | 0 | 0 | 107.4 | Y429 | V427-Y429 HydrophobicContact CG1-CD2 4.25Å; V427-Y429 HydrophobicContact CG1-CE2 3.8Å; V427-Y429 PolarHBondContact O-N 2.96Å |
| 428 | S | 24.8 | Very low | 27.8 | Very low | 109 Ų | 109 | 144 Ų | 144 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 116.1 | 173.3 | 35.8 | 0 | 0 | 0 | 0 | 110 | | |
| 429 | Y | 24.2 | Very low | 27.9 | Very low | 192 Ų | 192 | 141.9 Ų | 141.9 | 75% | 0.753 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 126.6 | 167.3 | -72.3 | -93 | 0 | 0 | 0 | 108.8 | V427 | V427-Y429 HydrophobicContact CG1-CD2 4.25Å; V427-Y429 HydrophobicContact CG1-CE2 3.8Å; V427-Y429 PolarHBondContact O-N 2.96Å |
| 430 | S | 27.2 | Very low | 27.8 | Very low | 83 Ų | 83 | 140.6 Ų | 140.6 | 58% | 0.58 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -78 | 129.4 | 161.2 | 48.5 | 0 | 0 | 0 | 0 | 109.2 | T432 | S430-T432 PolarHBondContact O-N 3.02Š|
| 431 | E | 29.8 | Very low | 27.9 | Very low | 203 Ų | 203 | 141.2 Ų | 141.2 | 95% | 0.949 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -3.2 | -179.4 | -60.8 | -167 | 120.1 | 0 | 0 | 113.5 | | |
| 432 | T | 29.7 | Very low | 27.9 | Very low | 123 Ų | 123 | 133.8 Ų | 133.8 | 76% | 0.755 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | -19.1 | -158.7 | 50.5 | 0 | 0 | 0 | 0 | 115.9 | S430 | S430-T432 PolarHBondContact O-N 3.02Š|
| 433 | E | 29.6 | Very low | 28 | Very low | 146 Ų | 146 | 134.3 Ų | 134.3 | 68% | 0.682 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -138.6 | 146.3 | -175.5 | -68.7 | -165.4 | 165.1 | 0 | 0 | 115 | V435 | E433-V435 VanDerWaalsContact C-N 3.35Å; E433-V435 PolarHBondContact O-N 3.28Å |
| 434 | P | 30.1 | Very low | 28.2 | Very low | 107 Ų | 107 | 131.9 Ų | 131.9 | 70% | 0.695 | 72% | 0.718 | S | S | * | * | | | trans | -77.7 | 80.1 | 173.2 | 33.3 | -34.5 | 0 | 0 | 0 | 111.2 | N436 | P434-N436 PolarHBondContact O-N 2.93Š|
| 435 | V | 30.1 | Very low | 28.6 | Very low | 94 Ų | 94 | 131.9 Ų | 131.9 | 57% | 0.57 | 72% | 0.719 | S | S | * | * | | | trans | -61.9 | 100.9 | 179.2 | -178.7 | 0 | 0 | 0 | 0 | 111.5 | E433 Y437 | E433-V435 VanDerWaalsContact C-N 3.35Å; E433-V435 PolarHBondContact O-N 3.28Å; V435-Y437 WeakPolarHBondContact CG1-O 3.34Å; V435-Y437 PolarHBondContact O-N 3.37Å |
| 436 | N | 31 | Very low | 28.8 | Very low | 144 Ų | 144 | 135.7 Ų | 135.7 | 77% | 0.77 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -71.7 | -10.9 | -179.1 | -80 | -45.6 | 0 | 0 | 0 | 114.6 | P434 | P434-N436 PolarHBondContact O-N 2.93Š|
| 437 | Y | 28.1 | Very low | 29.1 | Very low | 185 Ų | 185 | 139.4 Ų | 139.4 | 73% | 0.725 | 73% | 0.733 | S | S | * | * | | | trans | -139.8 | 111.9 | -177.1 | -63 | -81.2 | 0 | 0 | 0 | 112 | V435 T439 | V435-Y437 WeakPolarHBondContact CG1-O 3.34Å; V435-Y437 PolarHBondContact O-N 3.37Å; Y437-T439 PolarHBondContact O-N 3.42Å |
| 438 | I | 28.3 | Very low | 29.3 | Very low | 126 Ų | 126 | 139.3 Ų | 139.3 | 65% | 0.646 | 74% | 0.735 | S | S | * | * | | | trans | -90.9 | 97.3 | 174.5 | -56.9 | 177.6 | 0 | 0 | 0 | 109.6 | I440 | I438-I440 HydrophobicContact CG2-CG1 3.97Å; I438-I440 PolarHBondContact O-N 3.16Å |
| 439 | T | 27.3 | Very low | 29.5 | Very low | 107 Ų | 107 | 140.5 Ų | 140.5 | 66% | 0.656 | 73% | 0.732 | S | S | * | * | | | trans | -85.1 | 96.9 | 177.1 | -55.2 | 0 | 0 | 0 | 0 | 110.6 | Y437 S441 | Y437-T439 PolarHBondContact O-N 3.42Å; T439-S441 PolarHBondContact O-N 2.95Å; T439-S441 VanDerWaalsContact O-N 3.13Å |
| 440 | I | 28.6 | Very low | 29.9 | Very low | 144 Ų | 144 | 140 Ų | 140 | 74% | 0.738 | 74% | 0.737 | S | S | * | * | | | trans | -82.1 | 90.5 | 175.9 | -52.8 | -179.2 | 0 | 0 | 0 | 109.9 | I438 G442 | I438-I440 HydrophobicContact CG2-CG1 3.97Å; I438-I440 PolarHBondContact O-N 3.16Å; I440-G442 PolarHBondContact O-N 3.19Å |
| 441 | S | 28.8 | Very low | 30.1 | Very low | 97 Ų | 97 | 141.5 Ų | 141.5 | 68% | 0.678 | 74% | 0.737 | S | S | * | * | | | trans | -76.1 | 100.6 | 169.1 | 53.2 | 0 | 0 | 0 | 0 | 110.7 | T439 | T439-S441 PolarHBondContact O-N 2.95Å; T439-S441 VanDerWaalsContact O-N 3.13Å |
| 442 | G | 28.7 | Very low | 30 | Very low | 55 Ų | 55 | 139.1 Ų | 139.1 | 57% | 0.567 | 73% | 0.731 | S | S | * | * | | | trans | -70.8 | 135.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | I440 Q444 | I440-G442 PolarHBondContact O-N 3.19Å; G442-Q444 PolarHBondContact O-N 3.07Å |
| 443 | V | 30.8 | Very low | 29.8 | Very low | 137 Ų | 137 | 138.7 Ų | 138.7 | 83% | 0.83 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -83.7 | 56.9 | 179 | -167.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 444 | Q | 32.1 | Very low | 29.9 | Very low | 183 Ų | 183 | 141.2 Ų | 141.2 | 86% | 0.855 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -159.7 | 119.2 | 165.2 | -111 | 162.4 | 2.5 | 0 | 0 | 107.3 | G442 | G442-Q444 PolarHBondContact O-N 3.07Š|
| 445 | D | 33.1 | Very low | 29.6 | Very low | 143 Ų | 143 | 144.2 Ų | 144.2 | 77% | 0.765 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 56.7 | 121.3 | -164.9 | -63.3 | -25.7 | 0 | 0 | 0 | 116.1 | K447 | D445-K447 PolarHBondContact O-N 3.16Š|
| 446 | R | 30.6 | Very low | 29.4 | Very low | 261 Ų | 261 | 145.2 Ų | 145.2 | 99% | 0.985 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -73.5 | 59.8 | -179.1 | -67.1 | -179 | 173.7 | 177.1 | -2.7 | 112.9 | | |
| 447 | K | 31.1 | Very low | 29.1 | Very low | 182 Ų | 182 | 145 Ų | 145 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | | | trans | -128.7 | 111.5 | 177.3 | -72.3 | -176.5 | 177.6 | 176.1 | 0 | 111.4 | D445 L449 | D445-K447 PolarHBondContact O-N 3.16Å; K447-L449 PolarHBondContact O-N 2.91Å |
| 448 | P | 31.6 | Very low | 28.9 | Very low | 105 Ų | 105 | 141.8 Ų | 141.8 | 68% | 0.682 | 75% | 0.75 | S | S | * | * | | | trans | -69.8 | 120.7 | 179.7 | 27.7 | -33.3 | 0 | 0 | 0 | 111.3 | Q450 | P448-Q450 PolarHBondContact O-N 3.48Å; P448-Q450 VanDerWaalsContact O-N 3.16Å |
| 449 | L | 29.2 | Very low | 28.8 | Very low | 134 Ų | 134 | 144 Ų | 144 | 70% | 0.702 | 76% | 0.755 | S | S | * | * | | | trans | -79.2 | 92.7 | 175.9 | -95 | 162.9 | 0 | 0 | 0 | 110.9 | K447 | K447-L449 PolarHBondContact O-N 2.91Š|
| 450 | Q | 32.7 | Very low | 28.7 | Very low | 182 Ų | 182 | 142.9 Ų | 142.9 | 85% | 0.85 | 75% | 0.752 | S | S | * | * | | | trans | -60.5 | 135.4 | 166.3 | -68.4 | -178.2 | -12.7 | 0 | 0 | 110.5 | P448 | P448-Q450 PolarHBondContact O-N 3.48Å; P448-Q450 VanDerWaalsContact O-N 3.16Å |
| 451 | I | 30.6 | Very low | 28.4 | Very low | 114 Ų | 114 | 141 Ų | 141 | 59% | 0.585 | 75% | 0.751 | S | S | * | * | | | trans | -134.8 | 123.1 | 175 | -58.9 | -179.9 | 0 | 0 | 0 | 108.2 | | |
| 452 | N | 28.8 | Very low | 28.2 | Very low | 153 Ų | 153 | 141.4 Ų | 141.4 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | | | trans | -68 | 147.1 | -167.9 | -88.7 | -31.1 | 0 | 0 | 0 | 115.3 | K454 | N452-K454 PolarHBondContact O-N 3.38Š|
| 453 | S | 25.7 | Very low | 28.1 | Very low | 113 Ų | 113 | 145.9 Ų | 145.9 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -71.5 | 89 | -171 | -48.7 | 0 | 0 | 0 | 0 | 114.4 | | |
| 454 | K | 30 | Very low | 27.8 | Very low | 199 Ų | 199 | 144.6 Ų | 144.6 | 87% | 0.865 | 76% | 0.76 | S | S | * | * | | | trans | -138.6 | 33.8 | 164.1 | -79.3 | -160.6 | 174.2 | -177.3 | 0 | 114.3 | N452 | N452-K454 PolarHBondContact O-N 3.38Š|
| 455 | F | 25.6 | Very low | 27.4 | Very low | 171 Ų | 171 | 144.9 Ų | 144.9 | 75% | 0.75 | 76% | 0.761 | S | S | * | * | | | trans | -122.1 | 104 | 171.2 | -73.6 | -82.7 | 0 | 0 | 0 | 110.7 | | |
| 456 | S | 24.8 | Very low | 27 | Very low | 114 Ų | 114 | 144.5 Ų | 144.5 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | | | trans | -75.6 | 127 | 162.6 | 179.4 | 0 | 0 | 0 | 0 | 108.7 | | |
| 457 | M | 24.3 | Very low | 26.8 | Very low | 140 Ų | 140 | 136.4 Ų | 136.4 | 69% | 0.69 | 75% | 0.747 | S | S | * | * | | | trans | -102.6 | 96.9 | 176.7 | -173.2 | 173.5 | 71.1 | 0 | 0 | 109.3 | K459 | M457-K459 HydrophobicContact CE-CG 4.39Å; M457-K459 PolarHBondContact O-N 2.87Å |
| 458 | V | 24.1 | Very low | 26.4 | Very low | 117 Ų | 117 | 133 Ų | 133 | 71% | 0.709 | 74% | 0.741 | S | S | * | * | | | trans | -69.6 | 101.6 | 175.1 | -179.6 | 0 | 0 | 0 | 0 | 109 | S460 | V458-S460 VanDerWaalsContact C-N 3.29Å; V458-S460 PolarHBondContact O-N 3.24Å |
| 459 | K | 26.1 | Very low | 26.1 | Very low | 172 Ų | 172 | 133.3 Ų | 133.3 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | | | trans | -73.4 | 80 | 168 | -76.3 | -170.3 | 175.7 | -174.7 | 0 | 110 | M457 S461 | M457-K459 HydrophobicContact CE-CG 4.39Å; M457-K459 PolarHBondContact O-N 2.87Å; K459-S461 PolarHBondContact O-N 2.92Å |
| 460 | S | 24.7 | Very low | 25.9 | Very low | 85 Ų | 85 | 134 Ų | 134 | 59% | 0.594 | 74% | 0.744 | S | S | * | * | | | trans | -83.5 | 85.5 | 164.9 | 59.3 | 0 | 0 | 0 | 0 | 109.9 | V458 | V458-S460 VanDerWaalsContact C-N 3.29Å; V458-S460 PolarHBondContact O-N 3.24Å |
| 461 | S | 23.8 | Very low | 25.5 | Very low | 104 Ų | 104 | 131.5 Ų | 131.5 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | | | trans | -78.2 | 137.5 | 154.7 | 50.6 | 0 | 0 | 0 | 0 | 107.7 | K459 | K459-S461 PolarHBondContact O-N 2.92Š|
| 462 | S | 24 | Very low | 25.5 | Very low | 106 Ų | 106 | 134.1 Ų | 134.1 | 74% | 0.741 | 75% | 0.75 | S | S | * | * | | | trans | 69.8 | 173.4 | -161.7 | 84.2 | 0 | 0 | 0 | 0 | 115.3 | | |
| 463 | I | 26.4 | Very low | 25.4 | Very low | 149 Ų | 149 | 132.4 Ų | 132.4 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | | | trans | 71.1 | 118.9 | -164.1 | -46.8 | 170.1 | 0 | 0 | 0 | 113.1 | | |
| 464 | C | 25.2 | Very low | 25.3 | Very low | 110 Ų | 110 | 136.8 Ų | 136.8 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | | | cis | -170.7 | 165.8 | -27.5 | -112.7 | 0 | 0 | 0 | 0 | 106.6 | V466 | C464-V466 PolarHBondContact O-N 3.38Š|
| 465 | Q | 22.5 | Very low | 25.3 | Very low | 189 Ų | 189 | 135.5 Ų | 135.5 | 88% | 0.883 | 75% | 0.754 | S | S | * | * | | | trans | -63.7 | 124.6 | 168.7 | -67.8 | 166.8 | -57.9 | 0 | 0 | 110.3 | S467 | Q465-S467 PolarHBondContact O-N 3.42Š|
| 466 | V | 25.2 | Very low | 25.3 | Very low | 135 Ų | 135 | 132.3 Ų | 132.3 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | | | trans | -93.2 | 76.6 | 167.8 | -174.9 | 0 | 0 | 0 | 0 | 108.8 | C464 | C464-V466 PolarHBondContact O-N 3.38Š|
| 467 | S | 25.8 | Very low | 25.3 | Very low | 91 Ų | 91 | 133.2 Ų | 133.2 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | | | trans | -66.6 | 127.6 | 166.9 | 50.9 | 0 | 0 | 0 | 0 | 110 | Q465 C469 | Q465-S467 PolarHBondContact O-N 3.42Å; S467-C469 PolarHBondContact O-N 2.87Å |
| 468 | T | 23.1 | Very low | 25.5 | Very low | 110 Ų | 110 | 134.7 Ų | 134.7 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | | | trans | -75.2 | 92.5 | -178.1 | 51.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 469 | C | 24.9 | Very low | 25.7 | Very low | 112 Ų | 112 | 135.8 Ų | 135.8 | 76% | 0.757 | 77% | 0.765 | S | S | * | * | | | trans | -110.4 | 158 | 169.2 | -64.7 | 0 | 0 | 0 | 0 | 111.1 | S467 | S467-C469 PolarHBondContact O-N 2.87Š|
| 470 | H | 25.2 | Very low | 25.9 | Very low | 149 Ų | 149 | 135.2 Ų | 135.2 | 69% | 0.69 | 77% | 0.769 | S | S | * | * | | | trans | -90.4 | 160.2 | -168.8 | -83.6 | 45.4 | 0 | 0 | 0 | 114.3 | | |
| 471 | N | 25.4 | Very low | 26 | Very low | 128 Ų | 128 | 138.2 Ų | 138.2 | 68% | 0.684 | 77% | 0.773 | S | S | * | * | | | trans | 46.9 | 113.9 | 148.7 | -60.4 | -15.2 | 0 | 0 | 0 | 119.9 | | |
| 472 | I | 29.9 | Very low | 26.1 | Very low | 170 Ų | 170 | 137.3 Ų | 137.3 | 87% | 0.872 | 77% | 0.767 | S | S | * | * | | | trans | -148.8 | 143.9 | 142.1 | -103.7 | 147.6 | 0 | 0 | 0 | 108.9 | | |
| 473 | P | 27 | Very low | 26.4 | Very low | 117 Ų | 117 | 141 Ų | 141 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | | | trans | -95.7 | 179 | -166.6 | 38.2 | -37.6 | 0 | 0 | 0 | 115.2 | | |
| 474 | K | 24 | Very low | 26.5 | Very low | 204 Ų | 204 | 138.7 Ų | 138.7 | 89% | 0.887 | 76% | 0.762 | S | S | * | * | | | trans | -47.5 | 135.9 | -179.7 | -59.6 | 174.2 | 178.8 | 178.8 | 0 | 114.4 | | |
| 475 | L | 28.5 | Very low | 26.6 | Very low | 173 Ų | 173 | 139.1 Ų | 139.1 | 91% | 0.906 | 76% | 0.761 | S | S | * | * | | | trans | -130.3 | 159.4 | 151.1 | -101.3 | 162.5 | 0 | 0 | 0 | 109.3 | | |
| 476 | S | 27.4 | Very low | 27 | Very low | 104 Ų | 104 | 139.2 Ų | 139.2 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | | | trans | -88.8 | 140.6 | -153.1 | 49.4 | 0 | 0 | 0 | 0 | 116.1 | Q478 | S476-Q478 PolarHBondContact O-N 3.46Š|
| 477 | T | 23.9 | Very low | 27.1 | Very low | 132 Ų | 132 | 139.8 Ų | 139.8 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | | | trans | -76.7 | 111.1 | 164.8 | 48.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 478 | Q | 29.4 | Very low | 27.1 | Very low | 172 Ų | 172 | 143.2 Ų | 143.2 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | | | trans | -152.8 | 136.4 | 162.1 | -104 | -174.7 | 3.4 | 0 | 0 | 109.4 | S476 | S476-Q478 PolarHBondContact O-N 3.46Š|
| 479 | V | 28 | Very low | 27.4 | Very low | 139 Ų | 139 | 145.2 Ų | 145.2 | 84% | 0.842 | 77% | 0.766 | S | S | * | * | | | trans | 63 | 135.5 | -179.6 | -140.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 480 | I | 28.9 | Very low | 27.5 | Very low | 160 Ų | 160 | 146.5 Ų | 146.5 | 82% | 0.821 | 77% | 0.765 | S | S | * | * | | | cis | -124.1 | 148 | 24.2 | -67.2 | 157.8 | 0 | 0 | 0 | 111.1 | | |
| 481 | Q | 28.2 | Very low | 27.6 | Very low | 148 Ų | 148 | 149 Ų | 149 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | | | trans | -92.4 | 168 | 176.9 | -68.1 | 177.2 | -39.1 | 0 | 0 | 112.3 | I90 | I90-Q481 HydrophobicContact CD1-CG 4.45Å; I90-Q481 HydrophobicContact CG1-CG 4.09Å |
| 482 | S | 25.4 | Very low | 27.9 | Very low | 86 Ų | 86 | 149.6 Ų | 149.6 | 60% | 0.601 | 77% | 0.771 | S | S | * | * | | | trans | -97.9 | 123.3 | -174.6 | 57.5 | 0 | 0 | 0 | 0 | 114 | | |
| 483 | E | 31 | Very low | 27.7 | Very low | 184 Ų | 184 | 147 Ų | 147 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | | | trans | -138 | 152.6 | 157.7 | -70.4 | -156.8 | 120.8 | 0 | 0 | 107.6 | | |
| 484 | N | 27.1 | Very low | 27.9 | Very low | 100 Ų | 100 | 150.6 Ų | 150.6 | 54% | 0.535 | 77% | 0.771 | S | S | . | * | | | cis | 149.9 | 109.1 | -14.9 | -97.2 | -29.3 | 0 | 0 | 0 | 104.4 | | |
| 485 | T | 28.5 | Very low | 27.9 | Very low | 119 Ų | 119 | 146.5 Ų | 146.5 | 73% | 0.73 | 77% | 0.767 | S | S | * | * | | | trans | 44.5 | 141.7 | 142.6 | 63.3 | 0 | 0 | 0 | 0 | 123 | | |
| 486 | K | 30.4 | Very low | 27.9 | Very low | 190 Ų | 190 | 146.1 Ų | 146.1 | 83% | 0.826 | 76% | 0.764 | S | S | * | * | | | trans | 79.5 | 133.4 | 164.5 | -62.7 | 172.3 | -178.3 | -179 | 0 | 114.3 | | |
| 487 | L | 26.5 | Very low | 27.9 | Very low | 148 Ų | 148 | 147.6 Ų | 147.6 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | | | | 80.6 | 117.4 | 51.6 | -93.8 | 169.6 | 0 | 0 | 0 | 113 | | |
| 488 | M | 26.4 | Very low | 28.2 | Very low | 163 Ų | 163 | 146.9 Ų | 146.9 | 80% | 0.803 | 76% | 0.764 | S | S | * | * | | | trans | 65.4 | 157.9 | 174.4 | -56.1 | -179.8 | -170.7 | 0 | 0 | 113.2 | | |
| 489 | E | 30.1 | Very low | 28.1 | Very low | 152 Ų | 152 | 145.1 Ų | 145.1 | 71% | 0.71 | 76% | 0.759 | S | S | * | * | | | cis | -132.8 | 142.6 | -2.9 | -116.8 | 143.5 | 147.8 | 0 | 0 | 107.1 | | |
| 490 | L | 27 | Very low | 28.3 | Very low | 138 Ų | 138 | 144.8 Ų | 144.8 | 72% | 0.723 | 76% | 0.757 | S | S | * | * | | | | 59.4 | 119.1 | 77.9 | -107.2 | 173.7 | 0 | 0 | 0 | 115.5 | | |
| 491 | R | 27.6 | Very low | 28.3 | Very low | 201 Ų | 201 | 148.5 Ų | 148.5 | 76% | 0.758 | 76% | 0.761 | S | S | * | * | | | trans | 99.4 | 140.2 | 152.6 | -59.7 | 170.4 | 172.4 | 157.5 | -2.5 | 120.7 | | |
| 492 | N | 31.1 | Very low | 28.3 | Very low | 142 Ų | 142 | 147.5 Ų | 147.5 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | | | trans | 66.1 | 120.9 | 159.5 | -54.8 | -19.8 | 0 | 0 | 0 | 117 | | |
| 493 | C | 24.9 | Very low | 28.5 | Very low | 116 Ų | 116 | 149.5 Ų | 149.5 | 78% | 0.784 | 77% | 0.774 | S | S | * | * | | | cis | 77.1 | 140.8 | 31.6 | -49.7 | 0 | 0 | 0 | 0 | 115.2 | | |
| 494 | K | 30.7 | Very low | 28.5 | Very low | 192 Ų | 192 | 151.9 Ų | 151.9 | 84% | 0.835 | 78% | 0.775 | S | S | * | * | | | trans | 77 | 119.8 | -167.2 | -54.6 | 178 | -178.9 | 180 | 0 | 111.4 | | |
| 495 | C | 24 | Very low | 28.5 | Very low | 118 Ų | 118 | 152.8 Ų | 152.8 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | | | cis | 67.9 | 118.1 | 35.9 | -44.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 496 | I | 29.7 | Very low | 28.8 | Very low | 165 Ų | 165 | 152.5 Ų | 152.5 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | | | trans | -178.5 | 152.4 | 132.2 | -95.1 | 154.7 | 0 | 0 | 0 | 109.6 | | |
| 497 | N | 27 | Very low | 28.7 | Very low | 134 Ų | 134 | 149.7 Ų | 149.7 | 72% | 0.717 | 78% | 0.779 | S | S | * | * | | | trans | -94.8 | 159.2 | -173.5 | -55.8 | -40.4 | 0 | 0 | 0 | 113.5 | I499 | N497-I499 HydrophobicContact CB-CD1 3.89Å; N497-I499 HydrophobicContact CB-CG1 3.85Å |
| 498 | S | 30.9 | Very low | 29 | Very low | 118 Ų | 118 | 149 Ų | 149 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | | | trans | -133.4 | 117.7 | 146.8 | 44.7 | 0 | 0 | 0 | 0 | 106.5 | | |
| 499 | I | 27 | Very low | 29.3 | Very low | 135 Ų | 135 | 148.2 Ų | 148.2 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | | | cis | 69 | 87.6 | 26.3 | -50.1 | 180 | 0 | 0 | 0 | 113.4 | N497 | N497-I499 HydrophobicContact CB-CD1 3.89Å; N497-I499 HydrophobicContact CB-CG1 3.85Å |
| 500 | T | 32.1 | Very low | 29.4 | Very low | 132 Ų | 132 | 144.3 Ų | 144.3 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | | | trans | 179.8 | 149.4 | 137.5 | 24.1 | 0 | 0 | 0 | 0 | 106.6 | | |
| 501 | R | 28.9 | Very low | 29.7 | Very low | 237 Ų | 237 | 142.8 Ų | 142.8 | 89% | 0.894 | 77% | 0.77 | S | S | * | * | | | cis | -147.2 | 146.7 | 7.5 | -131 | 174.7 | -170.1 | 177 | 1.4 | 109.3 | | |
| 502 | T | 27.1 | Very low | 29.9 | Very low | 128 Ų | 128 | 139.6 Ų | 139.6 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | | | trans | -85.6 | 152.4 | 166.8 | 36.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 503 | T | 31.1 | Very low | 30 | Very low | 127 Ų | 127 | 138.5 Ų | 138.5 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | | | | 173.4 | 141.9 | 126.7 | 34.6 | 0 | 0 | 0 | 0 | 114.2 | | |
| 504 | R | 29.6 | Very low | 30 | Very low | 234 Ų | 234 | 140.7 Ų | 140.7 | 88% | 0.883 | 77% | 0.767 | S | S | * | * | | | trans | 64.2 | 126.9 | 159.2 | -63.2 | 174.6 | -172.1 | -152.1 | 0.2 | 117 | | |
| 505 | V | 28.1 | Very low | 29.9 | Very low | 120 Ų | 120 | 137.3 Ų | 137.3 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | | | cis | 92 | 95 | 31.3 | -179.1 | 0 | 0 | 0 | 0 | 114 | I507 | V505-I507 HydrophobicContact CG1-CD1 3.66Å; V505-I507 HydrophobicContact CG1-CG1 4.01Å |
| 506 | S | 33.9 | Very low | 30.1 | Very low | 113 Ų | 113 | 137.2 Ų | 137.2 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | | | trans | -169.7 | 92.5 | 148.6 | 51.2 | 0 | 0 | 0 | 0 | 106.2 | | |
| 507 | I | 29.5 | Very low | 29.8 | Very low | 131 Ų | 131 | 136.1 Ų | 136.1 | 67% | 0.672 | 75% | 0.753 | S | S | * | * | | | | 78.8 | 130.1 | 68.9 | -66.5 | 173.9 | 0 | 0 | 0 | 112.2 | V505 | V505-I507 HydrophobicContact CG1-CD1 3.66Å; V505-I507 HydrophobicContact CG1-CG1 4.01Å |
| 508 | N | 33.2 | Very low | 29.8 | Very low | 134 Ų | 134 | 135.5 Ų | 135.5 | 72% | 0.717 | 76% | 0.755 | S | S | * | * | | | trans | 68 | 143.7 | -178.9 | -58.7 | -14.7 | 0 | 0 | 0 | 115.7 | | |
| 509 | N | 31.4 | Very low | 29.9 | Very low | 145 Ų | 145 | 135.6 Ų | 135.6 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | | | cis | -169.5 | 159 | -16.9 | -103.1 | -11.8 | 0 | 0 | 0 | 106.3 | | |
| 510 | A | 32.8 | Very low | 29.8 | Very low | 70 Ų | 70 | 133.8 Ų | 133.8 | 58% | 0.579 | 75% | 0.75 | S | S | * | * | | | cis | -149.8 | -171.5 | -2.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 511 | S | 34 | Very low | 29.8 | Very low | 107 Ų | 107 | 132.8 Ų | 132.8 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | | | trans | 66.4 | 100.7 | -172.4 | 62 | 0 | 0 | 0 | 0 | 112.1 | | |
| 512 | D | 32.1 | Very low | 29.8 | Very low | 133 Ų | 133 | 128.3 Ų | 128.3 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | | | cis | 60.7 | 131 | 32.6 | -35.2 | -65.9 | 0 | 0 | 0 | 111.5 | | |
| 513 | T | 32.4 | Very low | 29.9 | Very low | 119 Ų | 119 | 129 Ų | 129 | 73% | 0.73 | 74% | 0.736 | S | S | * | * | | | cis | -158.6 | 130.9 | -0.5 | 0.3 | 0 | 0 | 0 | 0 | 105.9 | | |
| 514 | M | 25.4 | Very low | 30.1 | Very low | 163 Ų | 163 | 128 Ų | 128 | 80% | 0.803 | 73% | 0.73 | S | S | * | * | | | | 30.7 | 139.5 | 91.5 | -85.3 | -62.9 | -72 | 0 | 0 | 117.1 | | |
| 515 | T | 28.1 | Very low | 30.3 | Very low | 121 Ų | 121 | 122.8 Ų | 122.8 | 74% | 0.742 | 72% | 0.719 | S | S | * | * | | | trans | 70.4 | 153.6 | -167.2 | 80.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 516 | T | 27.7 | Very low | 30.5 | Very low | 116 Ų | 116 | 123.3 Ų | 123.3 | 71% | 0.712 | 72% | 0.717 | S | S | * | * | | | cis | -136.7 | 160.3 | 10.2 | -47.5 | 0 | 0 | 0 | 0 | 112.6 | | |
| 517 | I | 24.3 | Very low | 30.6 | Very low | 142 Ų | 142 | 124.2 Ų | 124.2 | 73% | 0.728 | 71% | 0.713 | S | S | * | * | | | trans | -31.5 | 151.9 | 165.5 | -44.2 | 165.2 | 0 | 0 | 0 | 115.2 | | |
| 518 | T | 25.8 | Very low | 30.9 | Very low | 121 Ų | 121 | 123.2 Ų | 123.2 | 74% | 0.742 | 71% | 0.713 | S | S | * | * | | | trans | 77.3 | 161.1 | 155.9 | 23.8 | 0 | 0 | 0 | 0 | 121 | | |
| 519 | T | 33 | Very low | 30.9 | Very low | 119 Ų | 119 | 124.3 Ų | 124.3 | 73% | 0.73 | 72% | 0.718 | S | S | * | * | | | trans | 66.5 | 110.6 | 159.5 | 39.6 | 0 | 0 | 0 | 0 | 120 | | |
| 520 | S | 25.9 | Very low | 30.9 | Very low | 98 Ų | 98 | 122 Ų | 122 | 69% | 0.685 | 71% | 0.713 | S | S | * | * | | | trans | -28.3 | 140.8 | 135.5 | 51.9 | 0 | 0 | 0 | 0 | 114.4 | | |
| 521 | P | 31.8 | Very low | 31.1 | Very low | 111 Ų | 111 | 123.3 Ų | 123.3 | 72% | 0.721 | 72% | 0.718 | S | S | * | * | | | | -133.2 | 143.8 | 88.1 | 16 | 5.4 | 0 | 0 | 0 | 113 | | |
| 522 | I | 28.1 | Very low | 31 | Very low | 143 Ų | 143 | 123 Ų | 123 | 73% | 0.733 | 72% | 0.715 | S | S | * | * | | | | 75.4 | 152.7 | 73.7 | -61.1 | 163.1 | 0 | 0 | 0 | 112.9 | | |
| 523 | L | 30.1 | Very low | 31 | Very low | 142 Ų | 142 | 125.1 Ų | 125.1 | 74% | 0.743 | 72% | 0.719 | S | S | * | * | | | trans | 72.5 | 97 | 170.3 | -78.2 | 148 | 0 | 0 | 0 | 116.4 | | |
| 524 | T | 35.1 | Very low | 31 | Very low | 106 Ų | 106 | 124.5 Ų | 124.5 | 65% | 0.65 | 72% | 0.715 | S | S | * | * | | | | 90.5 | 154.7 | 90.6 | 50.1 | 0 | 0 | 0 | 0 | 114.5 | | |
| 525 | N | 33 | Very low | 31.3 | Very low | 124 Ų | 124 | 121.9 Ų | 121.9 | 66% | 0.663 | 71% | 0.713 | S | S | * | * | | | cis | -153.6 | 162.3 | 4.4 | -127.3 | -15.8 | 0 | 0 | 0 | 112.3 | | |
| 526 | I | 33.9 | Very low | 31.8 | Very low | 132 Ų | 132 | 121 Ų | 121 | 68% | 0.677 | 71% | 0.709 | S | S | * | * | | | trans | 41.1 | 121.2 | 137.9 | -67.9 | 166.5 | 0 | 0 | 0 | 117.3 | | |
| 527 | N | 34.7 | Very low | 31.9 | Very low | 131 Ų | 131 | 123.1 Ų | 123.1 | 70% | 0.701 | 72% | 0.715 | S | S | * | * | | | cis | -158.9 | 159.4 | 36.8 | -136.3 | -10.7 | 0 | 0 | 0 | 115 | | |
| 528 | T | 35.9 | Very low | 32.4 | Very low | 110 Ų | 110 | 122 Ų | 122 | 68% | 0.675 | 72% | 0.718 | S | S | * | * | | | trans | 44.7 | 123.5 | 155.3 | 57.3 | 0 | 0 | 0 | 0 | 120.8 | | |
| 529 | L | 33 | Very low | 32.5 | Very low | 157 Ų | 157 | 122.3 Ų | 122.3 | 82% | 0.822 | 72% | 0.719 | S | S | * | * | | | cis | -156 | 155.5 | -4.2 | -150.1 | 82.6 | 0 | 0 | 0 | 111.1 | | |
| 530 | S | 32.9 | Very low | 32.3 | Very low | 96 Ų | 96 | 122.8 Ų | 122.8 | 67% | 0.671 | 72% | 0.722 | S | S | * | * | | | trans | -43.6 | 162.5 | 173.2 | 52.2 | 0 | 0 | 0 | 0 | 117.1 | | |
| 531 | S | 35.1 | Very low | 32.4 | Very low | 98 Ų | 98 | 124.5 Ų | 124.5 | 69% | 0.685 | 73% | 0.729 | S | S | * | * | | | cis | -170.2 | 131.5 | 6.2 | 27.3 | 0 | 0 | 0 | 0 | 107.6 | | |
| 532 | S | 33.4 | Very low | 32.2 | Very low | 100 Ų | 100 | 124.1 Ų | 124.1 | 70% | 0.699 | 74% | 0.735 | S | S | * | * | | | | 73.8 | 138 | 64.6 | 81.8 | 0 | 0 | 0 | 0 | 114.3 | | |
| 533 | F | 31.9 | Very low | 32.1 | Very low | 179 Ų | 179 | 123.2 Ų | 123.2 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | | | cis | -168.5 | 151.5 | 4.4 | -134.7 | -140.5 | 0 | 0 | 0 | 111 | | |
| 534 | T | 32.7 | Very low | 31.9 | Very low | 106 Ų | 106 | 122.1 Ų | 122.1 | 65% | 0.65 | 74% | 0.735 | S | S | * | * | | | trans | 41.1 | 159.6 | 133.4 | 61.9 | 0 | 0 | 0 | 0 | 124.2 | | |
| 535 | S | 31.1 | Very low | 31.3 | Very low | 108 Ų | 108 | 127.8 Ų | 127.8 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | | | cis | -171.8 | -145.1 | -14.9 | 61.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 536 | P | 39.2 | Very low | 31.1 | Very low | 101 Ų | 101 | 127.5 Ų | 127.5 | 66% | 0.656 | 75% | 0.749 | S | S | * | * | | | trans | -136.1 | -168.7 | -135.6 | 43.5 | -20.1 | 0 | 0 | 0 | 118.4 | | |
| 537 | L | 29.6 | Very low | 30.6 | Very low | 161 Ų | 161 | 129.7 Ų | 129.7 | 84% | 0.843 | 76% | 0.756 | S | S | * | * | | | trans | 67.1 | 173.6 | 159.9 | -104.9 | 60.9 | 0 | 0 | 0 | 116.1 | | |
| 538 | P | 33.9 | Very low | 30.2 | Very low | 120 Ų | 120 | 128.6 Ų | 128.6 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | | | cis | -124.8 | -152.9 | -3.3 | 42 | -24.7 | 0 | 0 | 0 | 114.7 | | |
| 539 | T | 28.5 | Very low | 29.7 | Very low | 126 Ų | 126 | 129.9 Ų | 129.9 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | | | trans | -100.9 | 178.9 | -167.1 | 53.2 | 0 | 0 | 0 | 0 | 115.1 | | |
| 540 | T | 29.2 | Very low | 29.5 | Very low | 129 Ų | 129 | 129.5 Ų | 129.5 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | | | trans | 112.5 | 154.1 | 146.8 | -27.9 | 0 | 0 | 0 | 0 | 115.8 | | |
| 541 | T | 27.7 | Very low | 29.3 | Very low | 135 Ų | 135 | 130.1 Ų | 130.1 | 83% | 0.828 | 75% | 0.752 | S | S | * | * | | | trans | -95.6 | 128 | -160.4 | 49.4 | 0 | 0 | 0 | 0 | 114.7 | | |
| 542 | A | 28.2 | Very low | 29 | Very low | 103 Ų | 103 | 132.4 Ų | 132.4 | 85% | 0.851 | 76% | 0.756 | S | S | * | * | | | trans | -163.1 | 168.1 | 149.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 543 | T | 26.1 | Very low | 28.8 | Very low | 124 Ų | 124 | 133.1 Ų | 133.1 | 76% | 0.761 | 75% | 0.751 | S | S | * | * | | | trans | -76.1 | 147.8 | -179.5 | 44.4 | 0 | 0 | 0 | 0 | 114.6 | | |
| 544 | T | 25.4 | Very low | 28.8 | Very low | 118 Ų | 118 | 133.7 Ų | 133.7 | 72% | 0.724 | 75% | 0.753 | S | S | * | * | | | trans | 63.7 | 119.5 | 147.9 | 49.1 | 0 | 0 | 0 | 0 | 121.8 | | |
| 545 | Y | 22.7 | Very low | 28.7 | Very low | 226 Ų | 226 | 135.7 Ų | 135.7 | 89% | 0.886 | 75% | 0.754 | S | S | * | * | | | trans | 79.3 | 152.9 | 140 | -94 | -86.8 | 0 | 0 | 0 | 121.7 | | |
| 546 | V | 27.4 | Very low | 28.7 | Very low | 118 Ų | 118 | 137.4 Ų | 137.4 | 72% | 0.715 | 76% | 0.755 | S | S | * | * | | | trans | 68.7 | 91.5 | 170.6 | -155.3 | 0 | 0 | 0 | 0 | 117.4 | | |
| 547 | E | 24.1 | Very low | 28.3 | Very low | 178 Ų | 178 | 138.3 Ų | 138.3 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | | | | 33.3 | 164.3 | 103.3 | -146.6 | 161.6 | -146.2 | 0 | 0 | 121.2 | | |
| 548 | C | 25.6 | Very low | 28.3 | Very low | 108 Ų | 108 | 139.2 Ų | 139.2 | 73% | 0.73 | 75% | 0.746 | S | S | * | * | | | trans | 75.6 | 145 | 178.3 | -55.2 | 0 | 0 | 0 | 0 | 116.1 | | |
| 549 | M | 25.4 | Very low | 28.2 | Very low | 136 Ų | 136 | 141.8 Ų | 141.8 | 67% | 0.67 | 74% | 0.742 | S | S | * | * | | | cis | -164.3 | -174.8 | -17.2 | -112 | -137.3 | 74.7 | 0 | 0 | 110 | | |
| 550 | L | 28.9 | Very low | 28.3 | Very low | 149 Ų | 149 | 141 Ų | 141 | 78% | 0.78 | 74% | 0.736 | S | S | * | * | | | trans | 82.4 | 116.1 | 171.7 | -49.7 | 172.1 | 0 | 0 | 0 | 113.9 | | |
| 551 | N | 28.4 | Very low | 28.5 | Very low | 110 Ų | 110 | 140.7 Ų | 140.7 | 59% | 0.588 | 73% | 0.73 | S | S | * | * | | | cis | 90.9 | 113.8 | 42 | -70.7 | -1.2 | 0 | 0 | 0 | 113.4 | | |
| 552 | D | 30.6 | Very low | 28.8 | Very low | 145 Ų | 145 | 139.6 Ų | 139.6 | 78% | 0.775 | 72% | 0.719 | S | S | * | * | | | trans | 166 | 103.9 | 134.2 | -90.6 | 0.3 | 0 | 0 | 0 | 107.5 | | |
| 553 | I | 28.1 | Very low | 29 | Very low | 115 Ų | 115 | 140.9 Ų | 140.9 | 59% | 0.59 | 71% | 0.712 | S | S | * | * | | | | 64.8 | 87.6 | 58.3 | -49.7 | 177.6 | 0 | 0 | 0 | 113.3 | | |
| 554 | K | 31.3 | Very low | 29.3 | Very low | 192 Ų | 192 | 139.7 Ų | 139.7 | 84% | 0.835 | 71% | 0.708 | S | S | * | * | | | trans | -162.1 | 116.2 | 135.5 | -96.4 | 134.6 | -171 | 165.3 | 0 | 107.7 | | |
| 555 | H | 30.3 | Very low | 29.8 | Very low | 147 Ų | 147 | 140.5 Ų | 140.5 | 68% | 0.681 | 71% | 0.708 | S | S | * | * | | | | 54 | 99.6 | 71.4 | -76.3 | -76.7 | 0 | 0 | 0 | 114.2 | | |
| 556 | N | 32.5 | Very low | 30.3 | Very low | 145 Ų | 145 | 138.7 Ų | 138.7 | 78% | 0.775 | 71% | 0.707 | S | S | * | * | | | | -151.8 | 126.3 | 112.3 | -88.9 | -34.1 | 0 | 0 | 0 | 107.2 | | |
| 557 | L | 31 | Very low | 30.5 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 62% | 0.623 | 70% | 0.695 | S | S | * | * | | | | 62.6 | 129.2 | 83.2 | -90 | 83.6 | 0 | 0 | 0 | 112.3 | | |
| 558 | R | 28.5 | Very low | 31 | Very low | 180 Ų | 180 | 133 Ų | 133 | 68% | 0.679 | 69% | 0.692 | S | S | * | * | | | cis | -166.7 | 179.7 | -2.1 | -148.8 | -173.2 | -143.4 | -179.4 | 6.8 | 109.2 | | |
| 559 | Y | 33 | Very low | 31.3 | Very low | 175 Ų | 175 | 132.4 Ų | 132.4 | 69% | 0.686 | 69% | 0.689 | S | S | * | * | | | trans | 73.2 | 105.1 | 174.9 | -58.9 | -75.2 | 0 | 0 | 0 | 113.2 | | |
| 560 | T | 29.9 | Very low | 31.6 | Very low | 108 Ų | 108 | 130.4 Ų | 130.4 | 66% | 0.663 | 69% | 0.689 | S | S | * | * | | | | 70.2 | 136.8 | 67.4 | 69 | 0 | 0 | 0 | 0 | 112.2 | | |
| 561 | N | 32.5 | Very low | 31.7 | Very low | 124 Ų | 124 | 132 Ų | 132 | 66% | 0.663 | 69% | 0.69 | S | S | * | * | | | cis | -149.9 | 153.2 | 10.4 | -118.8 | 10.2 | 0 | 0 | 0 | 111.1 | | |
| 562 | N | 34 | Very low | 31.7 | Very low | 112 Ų | 112 | 133.4 Ų | 133.4 | 60% | 0.599 | 70% | 0.697 | S | S | * | * | | | trans | 55.9 | 116.5 | 140.7 | -60.2 | 26.7 | 0 | 0 | 0 | 118.3 | | |
| 563 | D | 32.6 | Very low | 31.7 | Very low | 130 Ų | 130 | 133.1 Ų | 133.1 | 70% | 0.695 | 70% | 0.701 | S | S | * | * | | | | 74.6 | 146.3 | 82.7 | -53.6 | -43.6 | 0 | 0 | 0 | 112.1 | | |
| 564 | S | 33.3 | Very low | 32.1 | Very low | 98 Ų | 98 | 133.1 Ų | 133.1 | 69% | 0.685 | 71% | 0.708 | S | S | * | * | | | cis | -134.4 | 155.4 | 12.4 | -36.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 565 | L | 34.8 | Very low | 32 | Very low | 136 Ų | 136 | 130.4 Ų | 130.4 | 71% | 0.712 | 71% | 0.707 | S | S | * | * | | | | 42.9 | 132.1 | 91.4 | -40.5 | 171.8 | 0 | 0 | 0 | 113.1 | | |
| 566 | Q | 34 | Very low | 32 | Very low | 188 Ų | 188 | 129.1 Ų | 129.1 | 88% | 0.879 | 71% | 0.705 | S | S | * | * | | | cis | -121.7 | 121.7 | 32.9 | -69.7 | 177.3 | -37.8 | 0 | 0 | 112.2 | | |
| 567 | S | 31.5 | Very low | 32.1 | Very low | 65 Ų | 65 | 129.2 Ų | 129.2 | 46% | 0.455 | 70% | 0.701 | S | S | . | * | | | | 77.2 | 108 | 52.4 | 80.7 | 0 | 0 | 0 | 0 | 113 | | |
| 568 | S | 33.8 | Very low | 32.1 | Very low | 110 Ų | 110 | 130.3 Ų | 130.3 | 77% | 0.769 | 71% | 0.708 | S | S | * | * | | | | 84.7 | 163.9 | 109 | 83.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 569 | S | 32.6 | Very low | 32.3 | Very low | 96 Ų | 96 | 131.5 Ų | 131.5 | 67% | 0.671 | 72% | 0.718 | S | S | * | * | | | cis | -146 | -179.4 | 6.8 | 47.1 | 0 | 0 | 0 | 0 | 107.4 | | |
| 570 | S | 32.4 | Very low | 31.9 | Very low | 94 Ų | 94 | 132.2 Ų | 132.2 | 66% | 0.657 | 72% | 0.724 | S | S | * | * | | | cis | -151.3 | 145.2 | 18.8 | -55.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 571 | F | 29.9 | Very low | 31.7 | Very low | 184 Ų | 184 | 132.1 Ų | 132.1 | 81% | 0.807 | 72% | 0.723 | S | S | * | * | | | trans | 28.1 | 119.9 | 131.5 | -67.9 | -93.3 | 0 | 0 | 0 | 119.2 | | |
| 572 | N | 29.2 | Very low | 31.4 | Very low | 139 Ų | 139 | 134.4 Ų | 134.4 | 74% | 0.743 | 72% | 0.724 | S | S | * | * | | | | 45.6 | 108 | 70.9 | -76.5 | -17.3 | 0 | 0 | 0 | 115 | | |
| 573 | T | 29.9 | Very low | 31.1 | Very low | 139 Ų | 139 | 138 Ų | 138 | 85% | 0.853 | 73% | 0.731 | S | S | * | * | | | | -165.5 | 121.9 | 117.1 | 25.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 574 | P | 36.2 | Very low | 30.8 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 74% | 0.74 | 73% | 0.73 | S | S | * | * | | | trans | -83.2 | 149 | 155.2 | 34.9 | -30.9 | 0 | 0 | 0 | 109.8 | | |
| 575 | V | 29.8 | Very low | 30.5 | Very low | 135 Ų | 135 | 138.6 Ų | 138.6 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | | | trans | -179.1 | 140 | 146.7 | 135.2 | 0 | 0 | 0 | 0 | 113 | | |
| 576 | N | 29.9 | Very low | 30.2 | Very low | 120 Ų | 120 | 140.3 Ų | 140.3 | 64% | 0.642 | 74% | 0.735 | S | S | * | * | | | trans | 81.4 | 151.6 | 153.9 | -105.7 | -39.2 | 0 | 0 | 0 | 125.6 | | |
| 577 | H | 35.6 | Very low | 30 | Very low | 148 Ų | 148 | 137.3 Ų | 137.3 | 69% | 0.685 | 72% | 0.724 | S | S | * | * | | | trans | 68.9 | 120 | 159.6 | -53.5 | -28.5 | 0 | 0 | 0 | 118.1 | | |
| 578 | N | 30.2 | Very low | 30.1 | Very low | 142 Ų | 142 | 141 Ų | 141 | 76% | 0.759 | 73% | 0.734 | S | S | * | * | | | | 75.4 | 88.5 | 56 | -73.5 | -21 | 0 | 0 | 0 | 115.4 | | |
| 579 | K | 32.7 | Very low | 29.8 | Very low | 204 Ų | 204 | 143.3 Ų | 143.3 | 89% | 0.887 | 73% | 0.732 | S | S | * | * | | | trans | 164.8 | 118.8 | 143.8 | -89 | 150.8 | -171.9 | 178.2 | 0 | 106.4 | | |
| 580 | K | 25.9 | Very low | 29.7 | Very low | 191 Ų | 191 | 144.2 Ų | 144.2 | 83% | 0.83 | 73% | 0.73 | S | S | * | * | | | cis | 64.3 | 98.1 | 38.3 | -123.8 | -156.5 | -173.4 | -176.5 | 0 | 112.7 | | |
| 581 | V | 25.1 | Very low | 29.5 | Very low | 106 Ų | 106 | 147.7 Ų | 147.7 | 64% | 0.642 | 74% | 0.736 | S | S | * | * | | | trans | 59.1 | 132.2 | 152.5 | -140.2 | 0 | 0 | 0 | 0 | 115.7 | | |
| 582 | Y | 26.4 | Very low | 29.5 | Very low | 172 Ų | 172 | 143.9 Ų | 143.9 | 68% | 0.675 | 73% | 0.728 | S | S | * | * | | | | 170.5 | 161.7 | 85 | -103.4 | -71.1 | 0 | 0 | 0 | 112.5 | | |
| 583 | Y | 28 | Very low | 29.5 | Very low | 188 Ų | 188 | 145.3 Ų | 145.3 | 74% | 0.737 | 74% | 0.735 | S | S | * | * | | | trans | 53.4 | 127.4 | 163 | -55.5 | -59.2 | 0 | 0 | 0 | 117.6 | | |
| 584 | S | 25.2 | Very low | 29.3 | Very low | 99 Ų | 99 | 143.1 Ų | 143.1 | 69% | 0.692 | 72% | 0.722 | S | S | * | * | | | cis | 68.8 | 71.7 | 32.3 | -40.1 | 0 | 0 | 0 | 0 | 114.9 | | |
| 585 | N | 27.9 | Very low | 28.7 | Very low | 141 Ų | 141 | 147.7 Ų | 147.7 | 75% | 0.754 | 73% | 0.726 | S | S | * | * | | | trans | -170 | 122.8 | 144 | -94.4 | -28.3 | 0 | 0 | 0 | 107.3 | | |
| 586 | K | 29 | Very low | 28.6 | Very low | 172 Ų | 172 | 146.5 Ų | 146.5 | 75% | 0.748 | 72% | 0.719 | S | S | * | * | | | | 86.9 | 126.4 | 71.6 | -89.1 | -168 | -178.1 | -179.1 | 0 | 112.9 | | |
| 587 | I | 29.3 | Very low | 28.4 | Very low | 125 Ų | 125 | 147.8 Ų | 147.8 | 64% | 0.641 | 73% | 0.725 | S | S | * | * | | | trans | 83.4 | 141.4 | 135.7 | -70.9 | 176 | 0 | 0 | 0 | 119.2 | | |
| 588 | H | 32.7 | Very low | 27.9 | Very low | 142 Ų | 142 | 147.5 Ų | 147.5 | 66% | 0.657 | 73% | 0.728 | S | S | * | * | | | trans | 58.7 | 129.4 | 176.4 | -62.2 | -46.7 | 0 | 0 | 0 | 116.5 | | |
| 589 | E | 28.4 | Very low | 27.8 | Very low | 158 Ų | 158 | 145.3 Ų | 145.3 | 74% | 0.738 | 72% | 0.723 | S | S | * | * | | | cis | 74.6 | 157.6 | 44.6 | -63.7 | -174.8 | 127.4 | 0 | 0 | 114.2 | | |
| 590 | N | 30.1 | Very low | 27.6 | Very low | 116 Ų | 116 | 143.7 Ų | 143.7 | 62% | 0.62 | 72% | 0.717 | S | S | * | * | | | trans | 74.2 | 120.6 | -175.6 | -58.6 | -34.3 | 0 | 0 | 0 | 112.9 | | |
| 591 | Q | 27.9 | Very low | 27.6 | Very low | 167 Ų | 167 | 143.6 Ų | 143.6 | 78% | 0.78 | 71% | 0.712 | S | S | * | * | | | | 54.1 | 119.1 | 74.3 | -55.5 | 170.5 | 24.8 | 0 | 0 | 109.2 | | |
| 592 | T | 29.5 | Very low | 27.8 | Very low | 104 Ų | 104 | 147 Ų | 147 | 64% | 0.638 | 72% | 0.719 | S | S | * | * | | | | -160.8 | 155.9 | 60.2 | 41.8 | 0 | 0 | 0 | 0 | 113.7 | T594 | T592-T594 WeakPolarHBondContact CB-OG1 3.47Å; T592-T594 PolarHBondContact O-N 2.94Å; T592-T594 PolarHBondContact OG1-OG1 3.37Å |
| 593 | N | 30.6 | Very low | 28 | Very low | 168 Ų | 168 | 143.3 Ų | 143.3 | 90% | 0.898 | 72% | 0.718 | S | S | * | * | | | trans | -73.1 | 98.5 | 150.4 | -79.3 | -23.8 | 0 | 0 | 0 | 109 | | |
| 594 | T | 25.4 | Very low | 28 | Very low | 94 Ų | 94 | 140.2 Ų | 140.2 | 58% | 0.577 | 71% | 0.714 | S | S | * | * | | | trans | -154.6 | 108.5 | 164.9 | 30.5 | 0 | 0 | 0 | 0 | 108.1 | T592 | T592-T594 WeakPolarHBondContact CB-OG1 3.47Å; T592-T594 PolarHBondContact O-N 2.94Å; T592-T594 PolarHBondContact OG1-OG1 3.37Å |
| 595 | Y | 24.1 | Very low | 28.3 | Very low | 210 Ų | 210 | 142.5 Ų | 142.5 | 82% | 0.824 | 71% | 0.714 | S | S | * | * | | | | 82.4 | 151.5 | 78.2 | -98 | -72 | 0 | 0 | 0 | 113.8 | | |
| 596 | T | 26.2 | Very low | 28.2 | Very low | 110 Ų | 110 | 142 Ų | 142 | 68% | 0.675 | 71% | 0.711 | S | S | * | * | | | trans | 78 | 137.9 | 144.7 | 37.4 | 0 | 0 | 0 | 0 | 122.5 | | |
| 597 | L | 26.8 | Very low | 28.2 | Very low | 146 Ų | 146 | 141.1 Ų | 141.1 | 76% | 0.764 | 71% | 0.707 | S | S | * | * | | | trans | 72.7 | 108.9 | 143.8 | -65 | 162.4 | 0 | 0 | 0 | 117.2 | | |
| 598 | L | 25.1 | Very low | 28.1 | Very low | 143 Ų | 143 | 140.8 Ų | 140.8 | 75% | 0.749 | 71% | 0.707 | S | S | * | * | | | | 94.7 | 100.3 | 59 | 178.3 | 87.2 | 0 | 0 | 0 | 111.8 | | |
| 599 | S | 28.5 | Very low | 28 | Very low | 95 Ų | 95 | 139.8 Ų | 139.8 | 66% | 0.664 | 71% | 0.707 | S | S | * | * | | | trans | -159.8 | 116.6 | 141.1 | -89.5 | 0 | 0 | 0 | 0 | 107.5 | | |
| 600 | K | 28.6 | Very low | 28 | Very low | 171 Ų | 171 | 136 Ų | 136 | 74% | 0.743 | 69% | 0.69 | S | S | * | * | | | | 75 | 131.8 | 94.9 | -75.1 | 174.4 | -177.7 | 173.9 | 0 | 112.2 | | |
| 601 | Y | 26.1 | Very low | 28.1 | Very low | 189 Ų | 189 | 136.1 Ų | 136.1 | 74% | 0.741 | 69% | 0.685 | S | S | * | * | | | cis | -170.9 | 137 | -4.4 | -142.7 | -145.9 | 0 | 0 | 0 | 108.6 | | |
| 602 | K | 28.4 | Very low | 28.2 | Very low | 178 Ų | 178 | 132.2 Ų | 132.2 | 77% | 0.774 | 66% | 0.663 | S | S | * | * | | | trans | 63.6 | 161.6 | 167.4 | -56.2 | 178.2 | -179.9 | -178.4 | 0 | 113.9 | | |
| 603 | S | 29.5 | Very low | 28.3 | Very low | 94 Ų | 94 | 132.6 Ų | 132.6 | 66% | 0.657 | 66% | 0.662 | S | S | * | * | | | cis | -141.5 | 149.2 | 12.8 | -150.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 604 | N | 28.8 | Very low | 28.3 | Very low | 122 Ų | 122 | 129.5 Ų | 129.5 | 65% | 0.652 | 65% | 0.645 | S | S | * | * | | | trans | 23 | 140.2 | 134.2 | -59 | 20 | 0 | 0 | 0 | 119.7 | | |
| 605 | Q | 30.6 | Very low | 28.6 | Very low | 148 Ų | 148 | 130 Ų | 130 | 69% | 0.692 | 65% | 0.653 | S | S | * | * | | | cis | -151.9 | 140.1 | -1.6 | -102.7 | 149.4 | -52.4 | 0 | 0 | 105 | | |
| 606 | N | 26.8 | Very low | 28.9 | Very low | 130 Ų | 130 | 127.9 Ų | 127.9 | 70% | 0.695 | 65% | 0.65 | S | S | * | * | | | | 49.4 | 145.8 | 79.3 | -73.3 | 35.8 | 0 | 0 | 0 | 115.1 | | |
| 607 | F | 28 | Very low | 29.1 | Very low | 154 Ų | 154 | 128.2 Ų | 128.2 | 68% | 0.675 | 65% | 0.648 | S | S | * | * | | | trans | 78.1 | 130.2 | 164.9 | -55.8 | -73.4 | 0 | 0 | 0 | 118.1 | | |
| 608 | D | 28.5 | Very low | 29.4 | Very low | 118 Ų | 118 | 127 Ų | 127 | 63% | 0.631 | 64% | 0.642 | S | S | * | * | | | cis | -172.6 | 176.1 | -31.9 | -114.3 | 7 | 0 | 0 | 0 | 109.8 | | |
| 609 | D | 29.6 | Very low | 29.6 | Very low | 121 Ų | 121 | 127.2 Ų | 127.2 | 65% | 0.647 | 64% | 0.644 | S | S | * | * | | | trans | 76.9 | 126.3 | 133.3 | -88.3 | -8 | 0 | 0 | 0 | 124 | | |
| 610 | I | 29.5 | Very low | 29.7 | Very low | 77 Ų | 77 | 128.5 Ų | 128.5 | 40% | 0.395 | 65% | 0.652 | S | S | . | * | | | | 84.5 | 147.1 | 118.6 | -72 | 180 | 0 | 0 | 0 | 120.3 | | |
| 611 | K | 32.2 | Very low | 29.7 | Very low | 120 Ų | 120 | 127.7 Ų | 127.7 | 52% | 0.522 | 66% | 0.655 | S | S | . | * | | | cis | -148.9 | 148.9 | -12.9 | -124.7 | 166.8 | -158.5 | 152 | 0 | 114.9 | L768 Y769 | K611-L768 HydrophobicContact CG-CD1 4.29Å; K611-Y769 WeakPolarHBondContact O-CD1 3.46Å; K611-Y769 WeakPolarHBondContact O-CE1 3.35Å |
| 612 | W | 28.9 | Very low | 30.1 | Very low | 84 Ų | 84 | 123.4 Ų | 123.4 | 32% | 0.318 | 65% | 0.651 | S | S | . | * | | | trans | 11.9 | 131.9 | 139.7 | -78.2 | -114.9 | 0 | 0 | 0 | 117.5 | Q767 L768 | W612-Q767 HydrophobicContact CH2-CB 4.1Å; W612-Q767 HydrophobicContact CZ2-CB 3.49Å; W612-Q767 VanDerWaalsContact CZ2-CB 3.49Å; W612-Q767 HydrophobicContact CZ2-CG 3.72Å; W612-L768 HydrophobicContact CB-CD2 4.19Å; W612-L768 HydrophobicContact CD2-CB 3.67Å; W612-L768 HydrophobicContact CD2-CD1 2.29Å; W612-L768 HydrophobicContact CD2-CD2 2.6Å; W612-L768 HydrophobicContact CD2-CG 2.33Å; W612-L768 HydrophobicContact CE3-CB 2.95Å; W612-L768 HydrophobicContact CE3-CD1 2.3Å; W612-L768 HydrophobicContact CE3-CD2 3.09Å; W612-L768 HydrophobicContact CE3-CG 2.3Å; W612-L768 HydrophobicContact CG-CD1 3.47Å; W612-L768 VanDerWaalsContact CG-CD1 3.47Å; W612-L768 HydrophobicContact CG-CD2 3.22Å; W612-L768 HydrophobicContact CG-CG 3.56Å; W612-L768 HydrophobicContact CH2-CB 2.98Å; W612-L768 HydrophobicContact CH2-CD1 2.31Å; W612-L768 HydrophobicContact CH2-CD2 3.91Å; W612-L768 HydrophobicContact CH2-CG 2.31Å; W612-L768 HydrophobicContact CZ2-CB 3.68Å; W612-L768 HydrophobicContact CZ2-CD1 2.3Å; W612-L768 HydrophobicContact CZ2-CD2 3.53Å; W612-L768 HydrophobicContact CZ2-CG 2.34Å; W612-L768 HydrophobicContact CZ3-CB 2.58Å; W612-L768 HydrophobicContact CZ3-CD1 2.29Å; W612-L768 HydrophobicContact CZ3-CD2 3.76Å; W612-L768 HydrophobicContact CZ3-CG 2.33Å |
| 613 | N | 32 | Very low | 30.1 | Very low | 113 Ų | 113 | 119.1 Ų | 119.1 | 60% | 0.604 | 64% | 0.643 | S | S | * | * | | | cis | -149.2 | 164.2 | 47.4 | -79.1 | -73 | 0 | 0 | 0 | 112.2 | Y769 | N613-Y769 PolarHBondContact N-OH 3.27Å; N613-Y769 PolarHBondContact O-OH 2.94Å |
| 614 | N | 29.9 | Very low | 30.2 | Very low | 102 Ų | 102 | 120.8 Ų | 120.8 | 55% | 0.545 | 65% | 0.645 | S | S | . | * | | | cis | 75.7 | 89.7 | 24.4 | -83.4 | -14 | 0 | 0 | 0 | 118 | | |
| 615 | S | 32.4 | Very low | 30.3 | Very low | 106 Ų | 106 | 122.8 Ų | 122.8 | 74% | 0.741 | 65% | 0.65 | S | S | * | * | | | trans | -143.5 | 125.9 | 134.4 | 58.3 | 0 | 0 | 0 | 0 | 107.6 | | |
| 616 | Q | 30.4 | Very low | 30.4 | Very low | 164 Ų | 164 | 123.4 Ų | 123.4 | 77% | 0.766 | 65% | 0.652 | S | S | * | * | | | | 59.5 | 134.8 | 60.6 | -64.3 | -171 | -19.4 | 0 | 0 | 111.6 | | |
| 617 | N | 31.1 | Very low | 30.7 | Very low | 118 Ų | 118 | 122.8 Ų | 122.8 | 63% | 0.631 | 65% | 0.649 | S | S | * | * | | | cis | -160 | 174.8 | 8 | -136.1 | -11.6 | 0 | 0 | 0 | 112.5 | | |
| 618 | N | 33.1 | Very low | 31 | Very low | 120 Ų | 120 | 122.9 Ų | 122.9 | 64% | 0.642 | 66% | 0.655 | S | S | * | * | | | trans | 66 | 114.5 | 156 | -64 | -28.6 | 0 | 0 | 0 | 117.1 | | |
| 619 | N | 29.9 | Very low | 31.3 | Very low | 147 Ų | 147 | 120.3 Ų | 120.3 | 79% | 0.786 | 66% | 0.656 | S | S | * | * | | | | 88.1 | 156.3 | 67.9 | -87.2 | -39.2 | 0 | 0 | 0 | 113.7 | | |
| 620 | C | 30 | Very low | 31.6 | Very low | 122 Ų | 122 | 121.6 Ų | 121.6 | 82% | 0.824 | 66% | 0.663 | S | S | * | * | | | trans | 74.4 | 90.3 | 169 | -60 | 0 | 0 | 0 | 0 | 118.2 | | |
| 621 | N | 27.1 | Very low | 31.8 | Very low | 154 Ų | 154 | 125.2 Ų | 125.2 | 82% | 0.824 | 68% | 0.683 | S | S | * | * | | | | -28.2 | 160.3 | 121 | -110.9 | -8.6 | 0 | 0 | 0 | 114.1 | | |
| 622 | P | 36 | Very low | 32 | Very low | 99 Ų | 99 | 125 Ų | 125 | 64% | 0.643 | 70% | 0.697 | S | S | * | * | | | cis | -144.2 | -177.1 | 8.8 | 41.2 | -21.7 | 0 | 0 | 0 | 116.7 | | |
| 623 | S | 28.2 | Very low | 32.3 | Very low | 88 Ų | 88 | 128.9 Ų | 128.9 | 62% | 0.615 | 72% | 0.719 | S | S | * | * | | | trans | 76.9 | 160.5 | 138.2 | 76.7 | 0 | 0 | 0 | 0 | 122.1 | | |
| 624 | N | 30.5 | Very low | 32.3 | Very low | 129 Ų | 129 | 129.2 Ų | 129.2 | 69% | 0.69 | 73% | 0.725 | S | S | * | * | | | trans | 75 | 92 | 150.8 | -65.5 | -12.1 | 0 | 0 | 0 | 120.7 | | |
| 625 | H | 31.2 | Very low | 32.4 | Very low | 165 Ų | 165 | 132.6 Ų | 132.6 | 76% | 0.764 | 74% | 0.735 | S | S | * | * | | | | 71.8 | 151.6 | 112.9 | -86.5 | -63.4 | 0 | 0 | 0 | 121.8 | | |
| 626 | H | 33.9 | Very low | 32.4 | Very low | 160 Ų | 160 | 135.8 Ų | 135.8 | 74% | 0.741 | 74% | 0.737 | S | S | * | * | | | trans | 73.3 | 148.1 | 155.4 | -83.7 | 54.8 | 0 | 0 | 0 | 117.4 | | |
| 627 | N | 32.7 | Very low | 32.3 | Very low | 117 Ų | 117 | 137.2 Ų | 137.2 | 63% | 0.626 | 74% | 0.741 | S | S | * | * | | | cis | -166.7 | 178.1 | -31.4 | -142.8 | -27 | 0 | 0 | 0 | 108.7 | | |
| 628 | I | 34.8 | Very low | 32.3 | Very low | 157 Ų | 157 | 138.4 Ų | 138.4 | 81% | 0.805 | 75% | 0.746 | S | S | * | * | | | trans | 71.8 | 135.3 | 165.9 | -52.6 | 133.4 | 0 | 0 | 0 | 114.5 | | |
| 629 | G | 34 | Very low | 32 | Very low | 63 Ų | 63 | 142.7 Ų | 142.7 | 65% | 0.649 | 76% | 0.759 | S | S | * | * | | | cis | 174.6 | -165.5 | -4.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 630 | N | 35 | Very low | 32 | Very low | 149 Ų | 149 | 142.4 Ų | 142.4 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | | | trans | 77.2 | 67.5 | 170.3 | -58.4 | 2.7 | 0 | 0 | 0 | 118 | | |
| 631 | D | 35.1 | Very low | 31.8 | Very low | 152 Ų | 152 | 142.3 Ų | 142.3 | 81% | 0.813 | 76% | 0.758 | S | S | * | * | | | | 22 | 129 | 123 | -61.7 | -60.3 | 0 | 0 | 0 | 121.7 | | |
| 632 | S | 35.6 | Very low | 31.9 | Very low | 116 Ų | 116 | 140.9 Ų | 140.9 | 81% | 0.811 | 75% | 0.75 | S | S | * | * | | | | -157.2 | 83.4 | 119.9 | 68 | 0 | 0 | 0 | 0 | 113.9 | | |
| 633 | Q | 35 | Very low | 31.6 | Very low | 166 Ų | 166 | 147.6 Ų | 147.6 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | | | trans | 52.6 | 115 | 143.5 | -58 | -171.9 | 3 | 0 | 0 | 122.8 | | |
| 634 | T | 32 | Very low | 31.7 | Very low | 119 Ų | 119 | 151 Ų | 151 | 73% | 0.73 | 78% | 0.775 | S | S | * | * | | | trans | 69.4 | 137.2 | 137.1 | 58.8 | 0 | 0 | 0 | 0 | 120.6 | | |
| 635 | K | 32.6 | Very low | 31.6 | Very low | 174 Ų | 174 | 150.2 Ų | 150.2 | 76% | 0.757 | 78% | 0.779 | S | S | * | * | | | cis | -146 | 135.9 | 8.5 | -115.4 | 158 | -176.1 | 175.5 | 0 | 111.7 | | |
| 636 | H | 32.7 | Very low | 31.5 | Very low | 172 Ų | 172 | 146.5 Ų | 146.5 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | | | trans | 49.4 | 96.5 | 162.8 | -59.3 | -66.1 | 0 | 0 | 0 | 120.8 | | |
| 637 | K | 28.7 | Very low | 31.4 | Very low | 194 Ų | 194 | 143.9 Ų | 143.9 | 84% | 0.843 | 77% | 0.767 | S | S | * | * | | | trans | -65.5 | 171.7 | 135.6 | -56.1 | 179 | 174.7 | 177.5 | 0 | 108.9 | | |
| 638 | I | 30.3 | Very low | 31.2 | Very low | 144 Ų | 144 | 146.3 Ų | 146.3 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | | | | -155.4 | 128.6 | 72.7 | -75.1 | 150.2 | 0 | 0 | 0 | 110.1 | L640 | I638-L640 HydrophobicContact CG2-CB 3.93Š|
| 639 | F | 26 | Very low | 30.9 | Very low | 209 Ų | 209 | 144.7 Ų | 144.7 | 92% | 0.917 | 77% | 0.773 | S | S | * | * | | | trans | -101.9 | 138.6 | 141.2 | -88.4 | -95.2 | 0 | 0 | 0 | 106.6 | | |
| 640 | L | 29.7 | Very low | 30.6 | Very low | 141 Ų | 141 | 146.7 Ų | 146.7 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | | | trans | -148.1 | 94.6 | 167.8 | -147.5 | 79.6 | 0 | 0 | 0 | 109.7 | I638 D642 | I638-L640 HydrophobicContact CG2-CB 3.93Å; L640-D642 VanDerWaalsContact C-N 3.29Å; L640-D642 PolarHBondContact O-N 2.93Å |
| 641 | S | 27.6 | Very low | 30.2 | Very low | 120 Ų | 120 | 144 Ų | 144 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | | | trans | -89.4 | 66.3 | 174.6 | 55.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 642 | D | 28.5 | Very low | 30 | Very low | 125 Ų | 125 | 146 Ų | 146 | 67% | 0.668 | 77% | 0.771 | S | S | * | * | | | trans | -146 | 90.4 | 176.1 | -90 | -50 | 0 | 0 | 0 | 109.6 | L640 | L640-D642 VanDerWaalsContact C-N 3.29Å; L640-D642 PolarHBondContact O-N 2.93Å |
| 643 | Y | 30.2 | Very low | 29.7 | Very low | 240 Ų | 240 | 147.5 Ų | 147.5 | 94% | 0.941 | 77% | 0.77 | S | S | * | * | | | trans | -158.6 | 126 | 139.2 | -112.4 | -71.5 | 0 | 0 | 0 | 110.5 | | |
| 644 | L | 29.5 | Very low | 29.4 | Very low | 158 Ų | 158 | 147.8 Ų | 147.8 | 83% | 0.827 | 77% | 0.769 | S | S | * | * | | | trans | -72 | 166.6 | -174.5 | -63.6 | 149.9 | 0 | 0 | 0 | 112.6 | | |
| 645 | S | 29.1 | Very low | 29.4 | Very low | 113 Ų | 113 | 149.6 Ų | 149.6 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | | | trans | 75.7 | 137.9 | 163 | -138.3 | 0 | 0 | 0 | 0 | 115.6 | | |
| 646 | S | 28.9 | Very low | 29.1 | Very low | 87 Ų | 87 | 145.3 Ų | 145.3 | 61% | 0.608 | 77% | 0.766 | S | S | * | * | | | cis | -171.6 | 169.9 | -12.5 | 39.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 647 | T | 30.5 | Very low | 28.9 | Very low | 105 Ų | 105 | 143.9 Ų | 143.9 | 64% | 0.644 | 77% | 0.769 | S | S | * | * | | | trans | 46.3 | 102.5 | 146.5 | 52.2 | 0 | 0 | 0 | 0 | 118 | | |
| 648 | E | 29.8 | Very low | 28.9 | Very low | 169 Ų | 169 | 139.6 Ų | 139.6 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | | | | 95 | 117.8 | 81.9 | -86.5 | 175 | 169.8 | 0 | 0 | 114.8 | | |
| 649 | T | 27.9 | Very low | 28.9 | Very low | 123 Ų | 123 | 140.1 Ų | 140.1 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | | | trans | 44.8 | 132.3 | 141.8 | 60.6 | 0 | 0 | 0 | 0 | 123.5 | | |
| 650 | S | 27.9 | Very low | 29 | Very low | 104 Ų | 104 | 137.9 Ų | 137.9 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | | | trans | 97.7 | 123.8 | 134.6 | 78.4 | 0 | 0 | 0 | 0 | 120.7 | | |
| 651 | S | 27.6 | Very low | 28.9 | Very low | 92 Ų | 92 | 138.2 Ų | 138.2 | 64% | 0.643 | 78% | 0.775 | S | S | * | * | | | trans | 28.6 | 130.9 | 140.9 | 58.8 | 0 | 0 | 0 | 0 | 120 | | |
| 652 | F | 29.1 | Very low | 29.1 | Very low | 195 Ų | 195 | 138.8 Ų | 138.8 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | | | | -163.9 | 157.3 | 69.6 | -116.7 | -86.7 | 0 | 0 | 0 | 113.9 | | |
| 653 | D | 29.7 | Very low | 29 | Very low | 148 Ų | 148 | 142.6 Ų | 142.6 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | | | trans | -63.8 | 139 | 157.9 | -85.6 | -60 | 0 | 0 | 0 | 111.3 | | |
| 654 | K | 30.1 | Very low | 29 | Very low | 172 Ų | 172 | 139.5 Ų | 139.5 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | | | | 177.4 | 153.5 | 125.6 | -101 | 167.2 | 177.9 | 176.2 | 0 | 115.5 | | |
| 655 | H | 31.2 | Very low | 29.1 | Very low | 156 Ų | 156 | 136.9 Ų | 136.9 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | | | trans | 38.2 | 110.3 | 153.9 | -53.4 | -51.4 | 0 | 0 | 0 | 118.5 | | |
| 656 | A | 27.2 | Very low | 29 | Very low | 84 Ų | 84 | 140.4 Ų | 140.4 | 69% | 0.694 | 76% | 0.762 | S | S | * | * | | | | 74.3 | 126.7 | 70 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 657 | T | 26.8 | Very low | 29.1 | Very low | 143 Ų | 143 | 141.6 Ų | 141.6 | 88% | 0.877 | 77% | 0.769 | S | S | * | * | | | trans | 56.2 | 93.2 | 160.2 | 51.2 | 0 | 0 | 0 | 0 | 119 | | |
| 658 | A | 29.6 | Very low | 29.2 | Very low | 103 Ų | 103 | 141.1 Ų | 141.1 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | | | trans | -141.7 | 122.8 | 148.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 659 | N | 30.2 | Very low | 29.3 | Very low | 155 Ų | 155 | 140 Ų | 140 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | | | trans | -46.7 | 144.3 | -173.2 | -64.7 | -38 | 0 | 0 | 0 | 118.3 | | |
| 660 | N | 27.5 | Very low | 29.3 | Very low | 162 Ų | 162 | 141.9 Ų | 141.9 | 87% | 0.866 | 77% | 0.773 | S | S | * | * | | | trans | -57.4 | 133.3 | 146.8 | -64.1 | -31.3 | 0 | 0 | 0 | 109.8 | | |
| 661 | N | 27.5 | Very low | 29.6 | Very low | 149 Ų | 149 | 141.8 Ų | 141.8 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | | | trans | -163.5 | 77.4 | 157 | -124.1 | -24.5 | 0 | 0 | 0 | 116.9 | | |
| 662 | T | 32.1 | Very low | 29.6 | Very low | 131 Ų | 131 | 144.9 Ų | 144.9 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | trans | -163.2 | 139.1 | 151.8 | 39.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 663 | R | 27.1 | Very low | 29.5 | Very low | 205 Ų | 205 | 142.2 Ų | 142.2 | 77% | 0.774 | 77% | 0.772 | S | S | * | * | | | cis | -170.6 | -175.7 | -21.5 | -128.7 | 179 | -174.8 | -178.1 | 1.6 | 107.1 | | |
| 664 | F | 30 | Very low | 29.3 | Very low | 176 Ų | 176 | 143.9 Ų | 143.9 | 77% | 0.772 | 77% | 0.773 | S | S | * | * | | | trans | 75 | 135.3 | 166.5 | -58.5 | -72.9 | 0 | 0 | 0 | 117.6 | | |
| 665 | T | 30.9 | Very low | 29.2 | Very low | 103 Ų | 103 | 141.1 Ų | 141.1 | 63% | 0.632 | 77% | 0.767 | S | S | * | * | | | cis | -167.9 | 152 | -28 | 2.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 666 | F | 28.4 | Very low | 29 | Very low | 186 Ų | 186 | 140.4 Ų | 140.4 | 82% | 0.816 | 77% | 0.768 | S | S | * | * | | | | 174.7 | 128.1 | 115.1 | -99.5 | -67 | 0 | 0 | 0 | 111.7 | | |
| 667 | C | 29.6 | Very low | 28.9 | Very low | 113 Ų | 113 | 141.2 Ų | 141.2 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | | | trans | 54.4 | 146.6 | 157.6 | -66.7 | 0 | 0 | 0 | 0 | 120.1 | | |
| 668 | S | 32.8 | Very low | 28.9 | Very low | 95 Ų | 95 | 145.4 Ų | 145.4 | 66% | 0.664 | 77% | 0.768 | S | S | * | * | | | cis | -167.6 | 126.3 | -3.6 | 39.4 | 0 | 0 | 0 | 0 | 108.9 | | |
| 669 | I | 32.2 | Very low | 28.9 | Very low | 146 Ų | 146 | 149.3 Ų | 149.3 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | | | | 106.7 | 124.4 | 91.2 | -77.5 | 174.6 | 0 | 0 | 0 | 113.3 | | |
| 670 | L | 28.1 | Very low | 28.7 | Very low | 162 Ų | 162 | 147.8 Ų | 147.8 | 85% | 0.848 | 76% | 0.764 | S | S | * | * | | | trans | 71.6 | 156.9 | 160 | -68 | 167.8 | 0 | 0 | 0 | 121.2 | | |
| 671 | P | 34.2 | Very low | 28.6 | Very low | 102 Ų | 102 | 145.8 Ų | 145.8 | 66% | 0.662 | 75% | 0.754 | S | S | * | * | | | trans | -142.8 | -143 | -148.7 | 40 | -14.5 | 0 | 0 | 0 | 113.9 | | |
| 672 | L | 26.8 | Very low | 28.5 | Very low | 157 Ų | 157 | 145.1 Ų | 145.1 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | | | trans | 96.5 | 149.7 | 165.3 | -65.2 | 164.8 | 0 | 0 | 0 | 118.4 | | |
| 673 | N | 28.2 | Very low | 28.2 | Very low | 138 Ų | 138 | 147.1 Ų | 147.1 | 74% | 0.738 | 75% | 0.748 | S | S | * | * | | | trans | -74.4 | 157.1 | 175.2 | -45.6 | -57.6 | 0 | 0 | 0 | 110.6 | | |
| 674 | F | 25.9 | Very low | 28.6 | Very low | 183 Ų | 183 | 145 Ų | 145 | 80% | 0.803 | 75% | 0.749 | S | S | * | * | | | | -172.1 | 168.7 | 105 | -115.4 | -90.2 | 0 | 0 | 0 | 111.3 | | |
| 675 | D | 26.3 | Very low | 28.2 | Very low | 115 Ų | 115 | 142.2 Ų | 142.2 | 62% | 0.615 | 75% | 0.751 | S | S | * | * | | | trans | 54 | 115.2 | 160.8 | -69.1 | -51.7 | 0 | 0 | 0 | 120.2 | | |
| 676 | N | 27.2 | Very low | 27.9 | Very low | 141 Ų | 141 | 142.3 Ų | 142.3 | 75% | 0.754 | 76% | 0.756 | S | S | * | * | | | | 60.2 | 109.6 | 81.1 | -69 | -50.1 | 0 | 0 | 0 | 112.2 | | |
| 677 | S | 26 | Very low | 27.8 | Very low | 100 Ų | 100 | 138.9 Ų | 138.9 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | | | | 179.1 | 165 | 61.9 | 55.1 | 0 | 0 | 0 | 0 | 114 | | |
| 678 | R | 25.7 | Very low | 27.6 | Very low | 232 Ų | 232 | 139.9 Ų | 139.9 | 88% | 0.875 | 75% | 0.752 | S | S | * | * | | | trans | 56.8 | 122.3 | 149.3 | -72.9 | 171.7 | -178.2 | -168.9 | 0.4 | 120.5 | | |
| 679 | K | 31.1 | Very low | 27.3 | Very low | 184 Ų | 184 | 143 Ų | 143 | 80% | 0.8 | 75% | 0.754 | S | S | * | * | | | trans | -49.7 | 153.4 | 146.8 | -59 | 175.5 | 178.7 | 178.4 | 0 | 110.5 | | |
| 680 | P | 24.9 | Very low | 27.2 | Very low | 123 Ų | 123 | 143.9 Ų | 143.9 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | | | | -115.6 | 128 | 120.9 | 32.1 | -31.3 | 0 | 0 | 0 | 111.6 | | |
| 681 | N | 25.8 | Very low | 27.3 | Very low | 121 Ų | 121 | 140.6 Ų | 140.6 | 65% | 0.647 | 74% | 0.744 | S | S | * | * | | | trans | -71.8 | 165.1 | 147.3 | -80.6 | 8.5 | 0 | 0 | 0 | 108.2 | | |
| 682 | N | 26.3 | Very low | 26.9 | Very low | 134 Ų | 134 | 145.8 Ų | 145.8 | 72% | 0.717 | 76% | 0.756 | S | S | * | * | | | trans | 79.6 | 122.3 | 151.9 | -68.5 | -2.2 | 0 | 0 | 0 | 120.3 | | |
| 683 | F | 25.8 | Very low | 27 | Very low | 174 Ų | 174 | 143.3 Ų | 143.3 | 76% | 0.763 | 75% | 0.747 | S | S | * | * | | | trans | 69.9 | 116.9 | 133.2 | -79.1 | -109.3 | 0 | 0 | 0 | 120.9 | | |
| 684 | M | 33.5 | Very low | 27 | Very low | 161 Ų | 161 | 144.2 Ų | 144.2 | 79% | 0.793 | 75% | 0.752 | S | S | * | * | | | | 40.7 | 110.2 | 129.3 | -65.3 | 171.9 | 57.5 | 0 | 0 | 118.9 | | |
| 685 | S | 23.6 | Very low | 27.3 | Very low | 116 Ų | 116 | 138.6 Ų | 138.6 | 81% | 0.811 | 75% | 0.746 | S | S | * | * | | | trans | -158.1 | 146.3 | 142.5 | -81 | 0 | 0 | 0 | 0 | 111.1 | | |
| 686 | S | 24.2 | Very low | 27.5 | Very low | 105 Ų | 105 | 139.7 Ų | 139.7 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | | | trans | 32.3 | 134 | 152.9 | 58.6 | 0 | 0 | 0 | 0 | 120.9 | | |
| 687 | S | 26.8 | Very low | 27.7 | Very low | 115 Ų | 115 | 135.8 Ų | 135.8 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | | | cis | -113.6 | 143.7 | 5.2 | 36.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 688 | L | 25.1 | Very low | 27.9 | Very low | 134 Ų | 134 | 138.2 Ų | 138.2 | 70% | 0.702 | 76% | 0.755 | S | S | * | * | | | cis | 59.5 | 105.8 | 15 | -74.6 | 168.6 | 0 | 0 | 0 | 116.1 | | |
| 689 | F | 24.9 | Very low | 28.1 | Very low | 159 Ų | 159 | 132.7 Ų | 132.7 | 70% | 0.697 | 75% | 0.751 | S | S | * | * | | | trans | 72.3 | 112.4 | 159 | -77.6 | -102.6 | 0 | 0 | 0 | 119.9 | | |
| 690 | E | 31.4 | Very low | 28 | Very low | 165 Ų | 165 | 128.5 Ų | 128.5 | 77% | 0.771 | 75% | 0.745 | S | S | * | * | | | | 61.5 | 169.3 | 124.4 | -70.8 | -174.2 | 172.1 | 0 | 0 | 121.6 | | |
| 691 | P | 29.4 | Very low | 28.2 | Very low | 94 Ų | 94 | 129.7 Ų | 129.7 | 61% | 0.61 | 74% | 0.741 | S | S | * | * | | | cis | -127 | 143.9 | -20.4 | 21.4 | -0.5 | 0 | 0 | 0 | 114.3 | V693 | P691-V693 HydrophobicContact CB-CG2 3.91Š|
| 692 | K | 26.7 | Very low | 28.2 | Very low | 210 Ų | 210 | 131.4 Ų | 131.4 | 91% | 0.913 | 75% | 0.749 | S | S | * | * | | | trans | -170.5 | 75.8 | 146.4 | -109.4 | 164.1 | -174.1 | 176 | 0 | 109.6 | | |
| 693 | V | 27.5 | Very low | 28.4 | Very low | 105 Ų | 105 | 129.8 Ų | 129.8 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | | | | 79.3 | 100.7 | 72.6 | 178.1 | 0 | 0 | 0 | 0 | 112.6 | P691 | P691-V693 HydrophobicContact CB-CG2 3.91Š|
| 694 | N | 29.2 | Very low | 28.5 | Very low | 157 Ų | 157 | 133.6 Ų | 133.6 | 84% | 0.84 | 76% | 0.758 | S | S | * | * | | | trans | 65.3 | 142.3 | 148.2 | -56.3 | 0.4 | 0 | 0 | 0 | 120.4 | | |
| 695 | G | 31.7 | Very low | 28.5 | Very low | 66 Ų | 66 | 131 Ų | 131 | 68% | 0.68 | 76% | 0.756 | S | S | * | * | | | trans | 124.4 | 37.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 696 | T | 30.5 | Very low | 28.7 | Very low | 138 Ų | 138 | 130.8 Ų | 130.8 | 85% | 0.847 | 75% | 0.746 | S | S | * | * | | | | 48.6 | 130.2 | 91.5 | 61.2 | 0 | 0 | 0 | 0 | 114.7 | | |
| 697 | G | 31.3 | Very low | 28.8 | Very low | 59 Ų | 59 | 131.3 Ų | 131.3 | 61% | 0.608 | 75% | 0.745 | S | S | * | * | | | trans | 115.7 | 70.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 698 | D | 30.2 | Very low | 28.6 | Very low | 151 Ų | 151 | 131 Ų | 131 | 81% | 0.807 | 74% | 0.741 | S | S | * | * | | | | 46.4 | 159 | 113.1 | -47.1 | -32.6 | 0 | 0 | 0 | 121.4 | | |
| 699 | C | 31 | Very low | 28.8 | Very low | 116 Ų | 116 | 129.5 Ų | 129.5 | 78% | 0.784 | 74% | 0.742 | S | S | * | * | | | trans | 56.6 | 80.1 | 157 | -65 | 0 | 0 | 0 | 0 | 116.4 | | |
| 700 | S | 28.6 | Very low | 28.9 | Very low | 96 Ų | 96 | 128.7 Ų | 128.7 | 67% | 0.671 | 75% | 0.745 | S | S | * | * | | | | 83.6 | 128.4 | 74.7 | 70.6 | 0 | 0 | 0 | 0 | 115.3 | | |
| 701 | M | 27.8 | Very low | 28.7 | Very low | 147 Ų | 147 | 127.8 Ų | 127.8 | 72% | 0.724 | 75% | 0.745 | S | S | * | * | | | trans | 68.6 | 149.8 | 155.1 | -53.2 | -100.6 | 72.2 | 0 | 0 | 117 | | |
| 702 | L | 27 | Very low | 28.6 | Very low | 157 Ų | 157 | 130.8 Ų | 130.8 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | | | trans | 67.6 | 126.7 | 172.6 | -48.7 | 177 | 0 | 0 | 0 | 114.9 | | |
| 703 | S | 29.7 | Very low | 28.8 | Very low | 101 Ų | 101 | 127.6 Ų | 127.6 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | S | Bend | cis | -162 | 111.6 | 1.1 | 43.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 704 | R | 28.8 | Very low | 29 | Very low | 253 Ų | 253 | 131.7 Ų | 131.7 | 96% | 0.955 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -172 | 5 | 152.2 | -116.7 | 169.9 | 177.1 | 171.4 | -0.7 | 117.8 | | |
| 705 | S | 33.4 | Very low | 29.2 | Very low | 107 Ų | 107 | 129.3 Ų | 129.3 | 75% | 0.748 | 74% | 0.739 | S | S | * | * | | | trans | -157.2 | 93.3 | -172.9 | 55.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 706 | D | 26.8 | Very low | 29.1 | Very low | 112 Ų | 112 | 135.1 Ų | 135.1 | 60% | 0.599 | 75% | 0.745 | S | S | * | * | | | trans | -146.9 | 143.5 | 177.9 | -67.7 | -76 | 0 | 0 | 0 | 108.1 | | |
| 707 | T | 26.2 | Very low | 29.5 | Very low | 116 Ų | 116 | 140 Ų | 140 | 71% | 0.712 | 75% | 0.748 | S | S | * | * | | | cis | -151 | 160.8 | -5.1 | 1.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 708 | C | 24.2 | Very low | 29.5 | Very low | 108 Ų | 108 | 142.7 Ų | 142.7 | 73% | 0.73 | 76% | 0.755 | S | S | * | * | | | trans | 32.3 | 100.2 | 148.2 | -63.2 | 0 | 0 | 0 | 0 | 120 | | |
| 709 | S | 28.7 | Very low | 29.4 | Very low | 102 Ų | 102 | 140.2 Ų | 140.2 | 71% | 0.713 | 75% | 0.75 | S | S | * | * | | | | 25.3 | 153.6 | 91.2 | -43.3 | 0 | 0 | 0 | 0 | 120.3 | | |
| 710 | N | 27.3 | Very low | 29.3 | Very low | 143 Ų | 143 | 141.4 Ų | 141.4 | 77% | 0.765 | 75% | 0.747 | S | S | * | * | | | trans | 83 | 137.6 | 138.2 | -93.2 | -15.7 | 0 | 0 | 0 | 120.3 | | |
| 711 | L | 25.8 | Very low | 29.3 | Very low | 146 Ų | 146 | 145.3 Ų | 145.3 | 76% | 0.764 | 76% | 0.755 | S | S | * | * | | | trans | 71.1 | 145.9 | 160.6 | -55.8 | 159.7 | 0 | 0 | 0 | 114.1 | | |
| 712 | K | 28.6 | Very low | 29.5 | Very low | 156 Ų | 156 | 144.7 Ų | 144.7 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | | | cis | -155.9 | -176 | 7.2 | -136.5 | 161.1 | 167.4 | -155.4 | 0 | 111.7 | | |
| 713 | E | 30.3 | Very low | 29.9 | Very low | 144 Ų | 144 | 140.2 Ų | 140.2 | 67% | 0.673 | 75% | 0.751 | S | S | * | * | | | trans | 54.9 | 90.3 | 156.4 | -79.8 | 115.8 | -133.3 | 0 | 0 | 119.2 | | |
| 714 | F | 32 | Very low | 30 | Very low | 191 Ų | 191 | 142.7 Ų | 142.7 | 84% | 0.838 | 75% | 0.751 | S | S | * | * | | | | -2.9 | 137.5 | 109.9 | -82.4 | -90 | 0 | 0 | 0 | 115.2 | | |
| 715 | P | 32.8 | Very low | 30.4 | Very low | 107 Ų | 107 | 136.6 Ų | 136.6 | 70% | 0.695 | 74% | 0.742 | S | S | * | * | | | | -149.8 | 143.5 | 74.9 | 37.4 | -18.4 | 0 | 0 | 0 | 119 | | |
| 716 | K | 29.5 | Very low | 30.2 | Very low | 187 Ų | 187 | 139 Ų | 139 | 81% | 0.813 | 74% | 0.741 | S | S | * | * | | | | 61.6 | 119.1 | 128.8 | -62.1 | 175.7 | -177.2 | 175.7 | 0 | 121.1 | | |
| 717 | R | 38.9 | Very low | 30.6 | Very low | 240 Ų | 240 | 141.6 Ų | 141.6 | 91% | 0.906 | 75% | 0.75 | S | S | * | * | | | trans | -45.2 | 147.1 | 137.1 | -62.4 | 175.8 | 177.1 | 177.7 | -2.2 | 110.2 | | |
| 718 | P | 31.3 | Very low | 31.1 | Very low | 116 Ų | 116 | 143.2 Ų | 143.2 | 75% | 0.753 | 75% | 0.749 | S | S | * | * | | | | -131.4 | -166.2 | 59.1 | 28.9 | -6.7 | 0 | 0 | 0 | 111.6 | I720 | P718-I720 HydrophobicContact CB-CD1 4.5Š|
| 719 | S | 29.1 | Very low | 31.5 | Very low | 100 Ų | 100 | 144.1 Ų | 144.1 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | | | cis | -131.9 | 155.2 | 4.1 | 51.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 720 | I | 29.2 | Very low | 31.9 | Very low | 141 Ų | 141 | 149.1 Ų | 149.1 | 72% | 0.723 | 76% | 0.755 | S | S | * | * | | | cis | 68.7 | 142.8 | 45.4 | -49 | 172.3 | 0 | 0 | 0 | 111.5 | P718 | P718-I720 HydrophobicContact CB-CD1 4.5Š|
| 721 | E | 29.1 | Very low | 31.9 | Very low | 178 Ų | 178 | 152.9 Ų | 152.9 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | | | trans | 84.5 | 135.1 | 177.9 | -51.3 | -167.2 | 161.9 | 0 | 0 | 116.7 | | |
| 722 | V | 31.1 | Very low | 32.3 | Very low | 134 Ų | 134 | 152 Ų | 152 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | | | cis | -157.7 | 161.8 | -17 | 112.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 723 | G | 36.4 | Very low | 32.3 | Very low | 63 Ų | 63 | 149 Ų | 149 | 65% | 0.649 | 76% | 0.759 | S | S | * | * | | | trans | 109.8 | 82.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 724 | H | 30.8 | Very low | 32.3 | Very low | 152 Ų | 152 | 150.1 Ų | 150.1 | 70% | 0.704 | 77% | 0.766 | S | S | * | * | | | | 57.3 | 90.8 | 58 | -72.8 | -81.9 | 0 | 0 | 0 | 114.8 | | |
| 725 | T | 36.8 | Very low | 32.2 | Very low | 125 Ų | 125 | 145.5 Ų | 145.5 | 77% | 0.767 | 76% | 0.757 | S | S | * | * | | | | -174.9 | 129.9 | 102.6 | 38 | 0 | 0 | 0 | 0 | 106.5 | | |
| 726 | E | 30.3 | Very low | 31.9 | Very low | 158 Ų | 158 | 148.1 Ų | 148.1 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | | | | 62.1 | 126.5 | 62.5 | -60.5 | 176.8 | 127.3 | 0 | 0 | 110.5 | | |
| 727 | E | 34.9 | Very low | 31.9 | Very low | 167 Ų | 167 | 145 Ų | 145 | 78% | 0.78 | 75% | 0.746 | S | S | * | * | | | | -147.8 | 163.9 | 51.5 | -80.2 | -169.4 | 109.2 | 0 | 0 | 117.1 | | |
| 728 | H | 36.3 | Very low | 31.5 | Very low | 150 Ų | 150 | 142.2 Ų | 142.2 | 69% | 0.694 | 74% | 0.737 | S | S | * | * | | | trans | 25.9 | 126.6 | 154.2 | -64.2 | -73.5 | 0 | 0 | 0 | 122.7 | | |
| 729 | N | 31.5 | Very low | 31.4 | Very low | 127 Ų | 127 | 142.5 Ų | 142.5 | 68% | 0.679 | 73% | 0.731 | S | S | * | * | | | | 67.6 | 102.7 | 50.8 | -77.4 | -55.8 | 0 | 0 | 0 | 117.3 | | |
| 730 | K | 37.3 | Very low | 31.4 | Very low | 207 Ų | 207 | 143.4 Ų | 143.4 | 90% | 0.9 | 73% | 0.728 | S | S | * | * | | | trans | -175 | 110.7 | 144.9 | -102.2 | 161.6 | -174.5 | 175.5 | 0 | 107.4 | | |
| 731 | R | 28.4 | Very low | 31.5 | Very low | 222 Ų | 222 | 143.2 Ų | 143.2 | 84% | 0.838 | 73% | 0.728 | S | S | * | * | | | cis | 84.9 | 63.1 | 12.3 | -150 | -170.2 | -167.1 | -164.1 | 6 | 117.3 | | |
| 732 | T | 34.1 | Very low | 31.4 | Very low | 127 Ų | 127 | 139.1 Ų | 139.1 | 78% | 0.779 | 72% | 0.72 | S | S | * | * | | | trans | -155.9 | 126.8 | 147.1 | 17.7 | 0 | 0 | 0 | 0 | 106.5 | | |
| 733 | S | 28.9 | Very low | 31.2 | Very low | 94 Ų | 94 | 138.7 Ų | 138.7 | 66% | 0.657 | 72% | 0.717 | S | S | * | * | | | cis | 78.8 | 150 | 24 | 88.7 | 0 | 0 | 0 | 0 | 115.8 | | |
| 734 | M | 30.1 | Very low | 30.9 | Very low | 167 Ų | 167 | 144.5 Ų | 144.5 | 82% | 0.823 | 73% | 0.725 | S | S | * | * | | | trans | 73.7 | 142.3 | -168.1 | -45.3 | -59.5 | -78.4 | 0 | 0 | 113.4 | | |
| 735 | S | 28.6 | Very low | 30.8 | Very low | 93 Ų | 93 | 144.5 Ų | 144.5 | 65% | 0.65 | 73% | 0.73 | S | S | * | * | | | cis | -165.8 | 127.2 | -22.4 | 39.2 | 0 | 0 | 0 | 0 | 106 | | |
| 736 | K | 28.2 | Very low | 30.6 | Very low | 163 Ų | 163 | 146.2 Ų | 146.2 | 71% | 0.709 | 73% | 0.729 | S | S | * | * | | | | 72 | 146.8 | 81.6 | -155.9 | -154.6 | 171.5 | -149.5 | 0 | 112 | | |
| 737 | E | 29.6 | Very low | 30.4 | Very low | 122 Ų | 122 | 146 Ų | 146 | 57% | 0.57 | 73% | 0.733 | S | S | * | * | | | trans | 72.9 | 144.7 | 173.2 | -61 | 173 | -155.9 | 0 | 0 | 112.6 | | |
| 738 | Y | 29.1 | Very low | 30.3 | Very low | 181 Ų | 181 | 145.8 Ų | 145.8 | 71% | 0.71 | 74% | 0.736 | S | S | * | * | | | cis | 178.3 | 167.7 | -3.2 | -94.9 | -31 | 0 | 0 | 0 | 102.6 | | |
| 739 | L | 29.8 | Very low | 30 | Very low | 121 Ų | 121 | 144 Ų | 144 | 63% | 0.634 | 74% | 0.736 | S | S | * | * | | | cis | -159.1 | 150.3 | -7.5 | -116.4 | 162.3 | 0 | 0 | 0 | 108 | | |
| 740 | N | 28.9 | Very low | 29.7 | Very low | 120 Ų | 120 | 148.7 Ų | 148.7 | 64% | 0.642 | 74% | 0.744 | S | S | * | * | | | trans | 55.3 | 145.4 | 144.6 | -84 | 7.9 | 0 | 0 | 0 | 124 | | |
| 741 | N | 30.4 | Very low | 29.4 | Very low | 136 Ų | 136 | 144.8 Ų | 144.8 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | | | trans | 66.4 | 144.4 | 141.3 | -63.6 | 1.5 | 0 | 0 | 0 | 119.6 | | |
| 742 | S | 27.8 | Very low | 29.5 | Very low | 93 Ų | 93 | 142.8 Ų | 142.8 | 65% | 0.65 | 74% | 0.735 | S | S | * | * | | | cis | 178.9 | 146.8 | -25.9 | 46.9 | 0 | 0 | 0 | 0 | 106.4 | | |
| 743 | V | 27.7 | Very low | 29.4 | Very low | 125 Ų | 125 | 143.7 Ų | 143.7 | 76% | 0.758 | 73% | 0.734 | S | S | * | * | | | trans | 30.9 | 112.7 | 149.8 | -176.8 | 0 | 0 | 0 | 0 | 117.4 | | |
| 744 | F | 29.6 | Very low | 29.5 | Very low | 184 Ų | 184 | 146.4 Ų | 146.4 | 81% | 0.807 | 74% | 0.741 | S | S | * | * | | | | -156.1 | 118.2 | 126.7 | -116.1 | -73.7 | 0 | 0 | 0 | 112 | | |
| 745 | N | 28.9 | Very low | 29.5 | Very low | 153 Ų | 153 | 142.4 Ų | 142.4 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | | | trans | -73.7 | 128.4 | 158 | -86.8 | -29.3 | 0 | 0 | 0 | 107.8 | | |
| 746 | H | 32 | Very low | 29.9 | Very low | 160 Ų | 160 | 145.1 Ų | 145.1 | 74% | 0.741 | 74% | 0.736 | S | S | * | * | | | trans | -153.2 | 123.5 | 152 | -122.8 | -74.2 | 0 | 0 | 0 | 113.5 | | |
| 747 | N | 27.4 | Very low | 30.2 | Very low | 155 Ų | 155 | 143.9 Ų | 143.9 | 83% | 0.829 | 74% | 0.737 | S | S | * | * | | | trans | -66.1 | 134.9 | 153.6 | -70.9 | -49.8 | 0 | 0 | 0 | 108.3 | | |
| 748 | L | 32.1 | Very low | 30.3 | Very low | 162 Ų | 162 | 146.3 Ų | 146.3 | 85% | 0.848 | 75% | 0.748 | S | S | * | * | | | trans | -148.6 | 138.1 | 150.6 | -147.1 | 70.8 | 0 | 0 | 0 | 112.6 | | |
| 749 | T | 29.7 | Very low | 30.3 | Very low | 113 Ų | 113 | 143.7 Ų | 143.7 | 69% | 0.693 | 74% | 0.743 | S | S | * | * | | | trans | -86 | 159.4 | 178.6 | 53.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 750 | R | 26 | Very low | 30.4 | Very low | 224 Ų | 224 | 146.9 Ų | 146.9 | 85% | 0.845 | 75% | 0.752 | S | S | * | * | | | trans | 54.1 | 123.1 | 156.4 | -64.8 | 169.8 | 166.3 | 178.4 | -3.9 | 116.2 | | |
| 751 | T | 30.6 | Very low | 30.5 | Very low | 125 Ų | 125 | 147.1 Ų | 147.1 | 77% | 0.767 | 75% | 0.749 | S | S | * | * | | | | -173.4 | 169.7 | 72.8 | 31.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 752 | K | 29.7 | Very low | 30.2 | Very low | 181 Ų | 181 | 147.2 Ų | 147.2 | 79% | 0.787 | 76% | 0.759 | S | S | * | * | | | trans | 0.7 | 143 | 144.1 | -52.4 | 175.9 | -179.3 | -179.5 | 0 | 115.8 | | |
| 753 | L | 32.2 | Very low | 30.4 | Very low | 145 Ų | 145 | 147.6 Ų | 147.6 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | | | | -168.6 | 139.2 | 72.3 | -80.6 | 159.4 | 0 | 0 | 0 | 111.5 | | |
| 754 | L | 32 | Very low | 30.3 | Very low | 152 Ų | 152 | 153.6 Ų | 153.6 | 80% | 0.796 | 77% | 0.77 | S | S | * | * | | | trans | 54.9 | 157.4 | 150.5 | -81.6 | 77.5 | 0 | 0 | 0 | 119.9 | | |
| 755 | S | 30 | Very low | 30.4 | Very low | 82 Ų | 82 | 152.2 Ų | 152.2 | 57% | 0.573 | 77% | 0.771 | S | S | * | * | | | cis | -174 | 139.7 | -34.1 | 49.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 756 | N | 36.3 | Very low | 30.3 | Very low | 150 Ų | 150 | 148.9 Ų | 148.9 | 80% | 0.802 | 76% | 0.759 | S | S | * | * | | | trans | 165 | 89.6 | 138.3 | -82.9 | -9.6 | 0 | 0 | 0 | 110.2 | | |
| 757 | L | 34 | Very low | 30.3 | Very low | 138 Ų | 138 | 147.6 Ų | 147.6 | 72% | 0.723 | 75% | 0.754 | S | S | * | * | | | trans | 23 | 148.7 | 131.9 | -72.7 | 167.2 | 0 | 0 | 0 | 120 | E759 | L757-E759 HydrophobicContact CD2-CG 4.11Š|
| 758 | Q | 33.1 | Very low | 30.5 | Very low | 173 Ų | 173 | 143.4 Ų | 143.4 | 81% | 0.808 | 73% | 0.731 | S | S | * | * | | | cis | -137.9 | 138 | 37.6 | -164.5 | 164.6 | -3.9 | 0 | 0 | 115.5 | | |
| 759 | E | 28.8 | Very low | 30.4 | Very low | 126 Ų | 126 | 140.8 Ų | 140.8 | 59% | 0.589 | 71% | 0.71 | S | S | * | * | | | trans | -83 | 160.2 | 175.8 | -60 | 164 | 107.2 | 0 | 0 | 111.7 | L757 | L757-E759 HydrophobicContact CD2-CG 4.11Š|
| 760 | F | 31.5 | Very low | 30.5 | Very low | 187 Ų | 187 | 140 Ų | 140 | 82% | 0.82 | 70% | 0.702 | S | S | * | * | | | trans | -139.9 | 91.3 | 144.6 | -103.7 | -72.4 | 0 | 0 | 0 | 112.1 | | |
| 761 | H | 31.3 | Very low | 30.7 | Very low | 125 Ų | 125 | 134.2 Ų | 134.2 | 58% | 0.579 | 70% | 0.696 | S | S | * | * | | | trans | 1.6 | 123.7 | 162 | -54.8 | -73.6 | 0 | 0 | 0 | 120.7 | | |
| 762 | C | 24.1 | Very low | 30.8 | Very low | 139 Ų | 139 | 135.4 Ų | 135.4 | 94% | 0.939 | 70% | 0.696 | S | S | * | * | | | trans | -78.5 | 117.1 | 139.6 | -80.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 763 | S | 30.9 | Very low | 30.8 | Very low | 101 Ų | 101 | 129.6 Ų | 129.6 | 71% | 0.706 | 69% | 0.688 | S | S | * | * | | | trans | -107.1 | 117.5 | 179.6 | -69.4 | 0 | 0 | 0 | 0 | 111.9 | L765 | S763-L765 PolarHBondContact O-N 3.5Š|
| 764 | R | 27 | Very low | 30.6 | Very low | 251 Ų | 251 | 132.5 Ų | 132.5 | 95% | 0.947 | 69% | 0.69 | S | S | * | * | | | trans | -70.9 | 110.4 | 169.7 | -88 | 175.7 | 157.6 | 179.6 | -6.1 | 111 | | |
| 765 | L | 30.7 | Very low | 30.5 | Very low | 155 Ų | 155 | 132.5 Ų | 132.5 | 81% | 0.812 | 69% | 0.686 | S | S | * | * | | | trans | -135.3 | 99.8 | 149.3 | -72.7 | 167.3 | 0 | 0 | 0 | 104.9 | S763 | S763-L765 PolarHBondContact O-N 3.5Š|
| 766 | S | 28 | Very low | 30.5 | Very low | 83 Ų | 83 | 133.6 Ų | 133.6 | 58% | 0.58 | 69% | 0.685 | S | S | * | * | | | | 57.9 | 133.2 | 75.2 | 79.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 767 | Q | 30.9 | Very low | 30.3 | Very low | 133 Ų | 133 | 132.2 Ų | 132.2 | 62% | 0.621 | 68% | 0.677 | S | S | * | * | | | trans | 84.6 | 110.9 | 148.7 | -80.7 | 171 | -0.8 | 0 | 0 | 120.7 | W612 | W612-Q767 HydrophobicContact CH2-CB 4.1Å; W612-Q767 HydrophobicContact CZ2-CB 3.49Å; W612-Q767 VanDerWaalsContact CZ2-CB 3.49Å; W612-Q767 HydrophobicContact CZ2-CG 3.72Å |
| 768 | L | 31 | Very low | 30.3 | Very low | 67 Ų | 67 | 132.6 Ų | 132.6 | 35% | 0.351 | 67% | 0.673 | S | S | . | * | | | trans | 93.9 | 93.7 | 136.7 | -55.4 | 179.8 | 0 | 0 | 0 | 122.4 | K611 W612 | K611-L768 HydrophobicContact CG-CD1 4.29Å; W612-L768 HydrophobicContact CB-CD2 4.19Å; W612-L768 HydrophobicContact CD2-CB 3.67Å; W612-L768 HydrophobicContact CD2-CD1 2.29Å; W612-L768 HydrophobicContact CD2-CD2 2.6Å; W612-L768 HydrophobicContact CD2-CG 2.33Å; W612-L768 HydrophobicContact CE3-CB 2.95Å; W612-L768 HydrophobicContact CE3-CD1 2.3Å; W612-L768 HydrophobicContact CE3-CD2 3.09Å; W612-L768 HydrophobicContact CE3-CG 2.3Å; W612-L768 HydrophobicContact CG-CD1 3.47Å; W612-L768 VanDerWaalsContact CG-CD1 3.47Å; W612-L768 HydrophobicContact CG-CD2 3.22Å; W612-L768 HydrophobicContact CG-CG 3.56Å; W612-L768 HydrophobicContact CH2-CB 2.98Å; W612-L768 HydrophobicContact CH2-CD1 2.31Å; W612-L768 HydrophobicContact CH2-CD2 3.91Å; W612-L768 HydrophobicContact CH2-CG 2.31Å; W612-L768 HydrophobicContact CZ2-CB 3.68Å; W612-L768 HydrophobicContact CZ2-CD1 2.3Å; W612-L768 HydrophobicContact CZ2-CD2 3.53Å; W612-L768 HydrophobicContact CZ2-CG 2.34Å; W612-L768 HydrophobicContact CZ3-CB 2.58Å; W612-L768 HydrophobicContact CZ3-CD1 2.29Å; W612-L768 HydrophobicContact CZ3-CD2 3.76Å; W612-L768 HydrophobicContact CZ3-CG 2.33Å |
| 769 | Y | 30.1 | Very low | 30.4 | Very low | 107 Ų | 107 | 129.9 Ų | 129.9 | 42% | 0.42 | 66% | 0.664 | S | S | . | * | | | | 102.6 | 149.6 | 111 | -107.2 | -112.4 | 0 | 0 | 0 | 125.1 | K611 N613 | K611-Y769 WeakPolarHBondContact O-CD1 3.46Å; K611-Y769 WeakPolarHBondContact O-CE1 3.35Å; N613-Y769 PolarHBondContact N-OH 3.27Å; N613-Y769 PolarHBondContact O-OH 2.94Å |
| 770 | N | 33.1 | Very low | 30.8 | Very low | 96 Ų | 96 | 128.7 Ų | 128.7 | 51% | 0.513 | 66% | 0.662 | S | S | . | * | | | trans | -12.4 | 149 | 169.7 | -59.6 | 4.6 | 0 | 0 | 0 | 119.3 | | |
| 771 | S | 30 | Very low | 30.9 | Very low | 102 Ų | 102 | 127.9 Ų | 127.9 | 71% | 0.713 | 65% | 0.653 | S | S | * | * | | | | -164.8 | 145.7 | 54.9 | -53.6 | 0 | 0 | 0 | 0 | 109 | | |
| 772 | I | 31.8 | Very low | 31.1 | Very low | 150 Ų | 150 | 130.4 Ų | 130.4 | 77% | 0.769 | 66% | 0.663 | S | S | * | * | | | cis | 63.5 | 121.1 | 44.8 | -54.5 | -177.5 | 0 | 0 | 0 | 112.7 | | |
| 773 | G | 29.4 | Very low | 31.7 | Very low | 60 Ų | 60 | 129.7 Ų | 129.7 | 62% | 0.619 | 65% | 0.649 | S | S | * | * | | | trans | 134.7 | 100.4 | -168.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 774 | Y | 27.6 | Very low | 31.8 | Very low | 206 Ų | 206 | 132.9 Ų | 132.9 | 81% | 0.808 | 65% | 0.65 | S | S | * | * | | | cis | 47.8 | 129.3 | 36.7 | -66.6 | -83 | 0 | 0 | 0 | 110 | | |
| 775 | E | 30.3 | Very low | 32.3 | Very low | 152 Ų | 152 | 127.9 Ų | 127.9 | 71% | 0.71 | 64% | 0.635 | S | S | * | * | | | cis | -154.3 | -163 | 27.4 | -144.3 | 162.5 | -116.6 | 0 | 0 | 104.8 | | |
| 776 | N | 30.5 | Very low | 32.5 | Very low | 105 Ų | 105 | 125.3 Ų | 125.3 | 56% | 0.561 | 62% | 0.622 | S | S | * | * | | | cis | 179.2 | 167.1 | 26.6 | -146.3 | -29.4 | 0 | 0 | 0 | 110.6 | | |
| 777 | L | 32.2 | Very low | 32.7 | Very low | 121 Ų | 121 | 127.7 Ų | 127.7 | 63% | 0.634 | 63% | 0.628 | S | S | * | * | | | trans | 65.8 | 148.8 | 155 | -55 | 178.3 | 0 | 0 | 0 | 117 | | |
| 778 | K | 34.1 | Very low | 32.8 | Very low | 146 Ų | 146 | 128 Ų | 128 | 64% | 0.635 | 64% | 0.635 | S | S | * | * | | | cis | -160.8 | 153.8 | -2.2 | -124.2 | 169 | 177 | 134.4 | 0 | 110 | | |
| 779 | N | 34.9 | Very low | 32.7 | Very low | 116 Ų | 116 | 129.6 Ų | 129.6 | 62% | 0.62 | 65% | 0.651 | S | S | * | * | | | trans | 62.5 | 145.2 | 144.1 | -68.3 | 4.3 | 0 | 0 | 0 | 116.3 | | |
| 780 | D | 36.3 | Very low | 32.9 | Very low | 101 Ų | 101 | 135.7 Ų | 135.7 | 54% | 0.54 | 67% | 0.674 | S | S | . | * | | | cis | 165.9 | 170.8 | 11.3 | -99.3 | -23.4 | 0 | 0 | 0 | 103.8 | | |
| 781 | R | 35 | Very low | 32.9 | Very low | 170 Ų | 170 | 138 Ų | 138 | 64% | 0.642 | 69% | 0.686 | S | S | * | * | | | cis | -163.2 | 146.5 | -1.8 | -123.4 | 169 | -80.7 | 167.9 | 0.7 | 106.5 | | |
| 782 | F | 36.1 | Very low | 33.3 | Very low | 177 Ų | 177 | 138.6 Ų | 138.6 | 78% | 0.776 | 69% | 0.687 | S | S | * | * | | | trans | 64.5 | 157.8 | 149.3 | -58.5 | -28.2 | 0 | 0 | 0 | 118.3 | | |
| 783 | L | 36.5 | Very low | 33.4 | Very low | 125 Ų | 125 | 140.3 Ų | 140.3 | 65% | 0.654 | 69% | 0.69 | S | S | * | * | | | cis | -143.6 | 143.9 | -8.7 | -138.4 | 83.5 | 0 | 0 | 0 | 106 | | |
| 784 | K | 33 | Very low | 33.9 | Very low | 168 Ų | 168 | 142.5 Ų | 142.5 | 73% | 0.73 | 69% | 0.693 | S | S | * | * | | | | 47.5 | 142.6 | 105.6 | -66.1 | -171.6 | 179.2 | 174.8 | 0 | 116.7 | | |
| 785 | K | 36 | Very low | 34.1 | Very low | 146 Ų | 146 | 139 Ų | 139 | 64% | 0.635 | 69% | 0.688 | S | S | * | * | | | cis | -164.4 | 160.2 | 9.9 | -121.2 | -172.8 | 166.5 | -69.9 | 0 | 111.9 | | |
| 786 | D | 35.3 | Very low | 34.3 | Very low | 100 Ų | 100 | 138.8 Ų | 138.8 | 54% | 0.535 | 69% | 0.691 | S | S | . | * | | | trans | 44 | 118 | 142.2 | -54.8 | 2.8 | 0 | 0 | 0 | 123.8 | | |
| 787 | D | 33.1 | Very low | 34.4 | Very low | 133 Ų | 133 | 143.5 Ų | 143.5 | 71% | 0.711 | 70% | 0.701 | S | S | * | * | | | | 65.6 | 150.5 | 109.3 | -46.8 | -21.6 | 0 | 0 | 0 | 126 | | |
| 788 | N | 31.4 | Very low | 34.7 | Very low | 141 Ų | 141 | 143.9 Ų | 143.9 | 75% | 0.754 | 70% | 0.704 | S | S | * | * | | | trans | 81.3 | 93.8 | 142.2 | -72.1 | -36.3 | 0 | 0 | 0 | 122.2 | | |
| 789 | S | 30 | Very low | 34.6 | Very low | 100 Ų | 100 | 145.5 Ų | 145.5 | 70% | 0.699 | 71% | 0.711 | S | S | * | * | | | | 93.6 | 156.6 | 112.1 | 81.7 | 0 | 0 | 0 | 0 | 121.2 | | |
| 790 | R | 33.2 | Very low | 34.5 | Very low | 235 Ų | 235 | 144.6 Ų | 144.6 | 89% | 0.887 | 71% | 0.712 | S | S | * | * | | | trans | 76.9 | 106.3 | 155.9 | -82.4 | 177.9 | 166.1 | 167.1 | -4.1 | 120.5 | | |
| 791 | D | 34.7 | Very low | 34.4 | Very low | 144 Ų | 144 | 146.9 Ų | 146.9 | 77% | 0.77 | 72% | 0.72 | S | S | * | * | | | | -37.3 | 154.6 | 129.6 | -74.6 | -63.4 | 0 | 0 | 0 | 113.3 | | |
| 792 | P | 37.1 | Very low | 34.4 | Very low | 114 Ų | 114 | 147.2 Ų | 147.2 | 74% | 0.74 | 73% | 0.726 | S | S | * | * | | | cis | -144.4 | -179.3 | 34.6 | 39 | -18.2 | 0 | 0 | 0 | 118 | | |
| 793 | F | 34.2 | Very low | 34.3 | Very low | 187 Ų | 187 | 147.4 Ų | 147.4 | 82% | 0.82 | 73% | 0.73 | S | S | * | * | | | trans | -30.2 | 150.6 | 147.7 | -79.9 | -81.9 | 0 | 0 | 0 | 113.6 | | |
| 794 | P | 39.6 | Very low | 34.2 | Very low | 106 Ų | 106 | 147.3 Ų | 147.3 | 69% | 0.688 | 73% | 0.734 | S | S | * | * | | | | -160.2 | 177.7 | 57 | 41.6 | -19 | 0 | 0 | 0 | 120.7 | | |
| 795 | N | 32 | Very low | 34.1 | Very low | 133 Ų | 133 | 146.1 Ų | 146.1 | 71% | 0.711 | 74% | 0.741 | S | S | * | * | | | | 93.6 | 149 | 129.8 | -110 | -28.8 | 0 | 0 | 0 | 123.5 | | |
| 796 | L | 35.3 | Very low | 33.9 | Very low | 147 Ų | 147 | 144.9 Ų | 144.9 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | | | trans | 68.7 | 151.6 | 162 | -59.2 | 164.8 | 0 | 0 | 0 | 118.9 | | |
| 797 | R | 33 | Very low | 33.7 | Very low | 203 Ų | 203 | 146.6 Ų | 146.6 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | | | cis | 179.2 | 154.2 | -45.4 | -116 | -167.9 | -171.8 | -171.3 | 1.4 | 107.7 | | |
| 798 | N | 37.6 | Very low | 33.5 | Very low | 129 Ų | 129 | 148.5 Ų | 148.5 | 69% | 0.69 | 76% | 0.764 | S | S | * | * | | | trans | 71.6 | 149.4 | 159.2 | -55.3 | -10.2 | 0 | 0 | 0 | 117.8 | | |
| 799 | F | 32.9 | Very low | 33.7 | Very low | 181 Ų | 181 | 146.6 Ų | 146.6 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | | | cis | -159.9 | 156.8 | -19.7 | -134.7 | -114 | 0 | 0 | 0 | 110.4 | | |
| 800 | C | 32.9 | Very low | 33.8 | Very low | 96 Ų | 96 | 149.2 Ų | 149.2 | 65% | 0.649 | 76% | 0.764 | S | S | * | * | | | trans | 60.5 | 118.2 | 155.2 | -88 | 0 | 0 | 0 | 0 | 125.5 | | |
| 801 | Q | 33.9 | Very low | 33.8 | Very low | 149 Ų | 149 | 143.6 Ų | 143.6 | 70% | 0.696 | 76% | 0.761 | S | S | * | * | | | | 84.8 | 130.1 | 127.8 | -78.5 | -164.2 | 16.4 | 0 | 0 | 124.4 | | |
| 802 | K | 33.6 | Very low | 33.7 | Very low | 178 Ų | 178 | 145.2 Ų | 145.2 | 77% | 0.774 | 76% | 0.764 | S | S | * | * | | | trans | 62.3 | 114.5 | 152.9 | -62.1 | 169.3 | -179.1 | 171 | 0 | 116.2 | | |
| 803 | Q | 34.8 | Very low | 33.3 | Very low | 181 Ų | 181 | 145 Ų | 145 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | | | | -155.8 | 149.8 | 53 | -74.2 | 177.5 | -10.6 | 0 | 0 | 113.8 | | |
| 804 | T | 33.7 | Very low | 33.2 | Very low | 123 Ų | 123 | 142.1 Ų | 142.1 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | | | trans | 24.5 | 94.9 | 158.3 | 50 | 0 | 0 | 0 | 0 | 120.8 | | |
| 805 | T | 31 | Very low | 32.6 | Very low | 142 Ų | 142 | 143.5 Ų | 143.5 | 87% | 0.871 | 77% | 0.769 | S | S | * | * | | | trans | 48.1 | 87.2 | 135.5 | 55.7 | 0 | 0 | 0 | 0 | 118.3 | | |
| 806 | S | 33.3 | Very low | 32.7 | Very low | 120 Ų | 120 | 142.9 Ų | 142.9 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | | | trans | -92.4 | 167.3 | 169.4 | 59.3 | 0 | 0 | 0 | 0 | 113.8 | | |
| 807 | N | 30 | Very low | 32.4 | Very low | 136 Ų | 136 | 141.2 Ų | 141.2 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | | | trans | -73.8 | -178.5 | 176.1 | -62.7 | -48.6 | 0 | 0 | 0 | 114.3 | | |
| 808 | H | 28.4 | Very low | 32.1 | Very low | 173 Ų | 173 | 136.4 Ų | 136.4 | 80% | 0.801 | 78% | 0.78 | S | S | * | * | | | trans | 111.6 | 150.5 | 143 | -73.2 | -47.6 | 0 | 0 | 0 | 119.3 | | |
| 809 | P | 37.4 | Very low | 31.8 | Very low | 101 Ų | 101 | 134.2 Ų | 134.2 | 66% | 0.656 | 78% | 0.779 | S | S | * | * | | | trans | -132.4 | -151.4 | -141.9 | 35.6 | -11.4 | 0 | 0 | 0 | 113 | | |
| 810 | I | 31.6 | Very low | 31.7 | Very low | 155 Ų | 155 | 132.5 Ų | 132.5 | 80% | 0.795 | 78% | 0.783 | S | S | * | * | | | trans | 78.9 | 107.5 | 169.1 | -48.2 | 166.9 | 0 | 0 | 0 | 115.3 | | |
| 811 | S | 33.8 | Very low | 31.8 | Very low | 117 Ų | 117 | 135.5 Ų | 135.5 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | -161.4 | 142.8 | 140.2 | 59.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 812 | E | 30.8 | Very low | 32 | Very low | 179 Ų | 179 | 139 Ų | 139 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | | | trans | -93.3 | -175.1 | -176.6 | -57.2 | 178.1 | 122.7 | 0 | 0 | 112.9 | | |
| 813 | S | 29 | Very low | 32.2 | Very low | 108 Ų | 108 | 136 Ų | 136 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | | | trans | 99.7 | 159.2 | 151.5 | 83.8 | 0 | 0 | 0 | 0 | 120.3 | | |
| 814 | T | 32.3 | Very low | 32.4 | Very low | 128 Ų | 128 | 133.3 Ų | 133.3 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | | | trans | 58.8 | 81.4 | 172.3 | 44.2 | 0 | 0 | 0 | 0 | 118.6 | | |
| 815 | V | 28.2 | Very low | 32.5 | Very low | 134 Ų | 134 | 138.9 Ų | 138.9 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | | | trans | -3.8 | 125.2 | 135.4 | -176.8 | 0 | 0 | 0 | 0 | 115.7 | | |
| 816 | S | 32.7 | Very low | 32.9 | Very low | 120 Ų | 120 | 137.4 Ų | 137.4 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | | | trans | -146 | 137.9 | 151.5 | -81.8 | 0 | 0 | 0 | 0 | 110 | | |
| 817 | S | 29.3 | Very low | 33 | Very low | 113 Ų | 113 | 137.9 Ų | 137.9 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | | | trans | -84.9 | 163.9 | -165.9 | -63.6 | 0 | 0 | 0 | 0 | 114.2 | | |
| 818 | A | 26.5 | Very low | 33.1 | Very low | 102 Ų | 102 | 140.1 Ų | 140.1 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | | | trans | 72.2 | 87.6 | 158.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 819 | A | 31.3 | Very low | 33.1 | Very low | 82 Ų | 82 | 142.9 Ų | 142.9 | 68% | 0.678 | 81% | 0.805 | S | S | * | * | | | trans | -145.5 | 103.8 | 138.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | L821 | A819-L821 VanDerWaalsContact C-N 3.27Å; A819-L821 HydrophobicContact CB-CG 4.36Å; A819-L821 PolarHBondContact O-N 3.43Å |
| 820 | V | 30.3 | Very low | 32.7 | Very low | 145 Ų | 145 | 144 Ų | 144 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | | | trans | -80.1 | 76.4 | 179.7 | -175.5 | 0 | 0 | 0 | 0 | 110.1 | R822 | V820-R822 PolarHBondContact O-N 3.09Š|
| 821 | L | 35.2 | Very low | 32.4 | Very low | 159 Ų | 159 | 142.9 Ų | 142.9 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | | | trans | -80.4 | 103.4 | 177.1 | -66.1 | 176.3 | 0 | 0 | 0 | 110.3 | A819 | A819-L821 VanDerWaalsContact C-N 3.27Å; A819-L821 HydrophobicContact CB-CG 4.36Å; A819-L821 PolarHBondContact O-N 3.43Å |
| 822 | R | 38.5 | Very low | 32.2 | Very low | 223 Ų | 223 | 142.9 Ų | 142.9 | 84% | 0.842 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 145.2 | 171 | -71.8 | 176.8 | 170.5 | 144.4 | -3 | 110.4 | V820 | V820-R822 PolarHBondContact O-N 3.09Š|
| 823 | P | 38.6 | Very low | 32.3 | Very low | 115 Ų | 115 | 141.9 Ų | 141.9 | 75% | 0.747 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 146.2 | 169.7 | 26.1 | -34.2 | 0 | 0 | 0 | 110.7 | | |
| 824 | P | 38.3 | Very low | 32.4 | Very low | 125 Ų | 125 | 141.7 Ų | 141.7 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 137.8 | -172.4 | 25.8 | -34.4 | 0 | 0 | 0 | 111.9 | | |
| 825 | R | 36.1 | Very low | 32.4 | Very low | 240 Ų | 240 | 145.4 Ų | 145.4 | 91% | 0.906 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 138.8 | 172.2 | -88.9 | -178 | 169.8 | 164.8 | -3 | 110.4 | | |
| 826 | P | 39.2 | Very low | 32.5 | Very low | 111 Ų | 111 | 144 Ų | 144 | 72% | 0.721 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 143.1 | 165.4 | -23.8 | 34.1 | 0 | 0 | 0 | 111.2 | Q828 | P826-Q828 PolarHBondContact O-N 2.9Š|
| 827 | P | 36.1 | Very low | 32.6 | Very low | 129 Ų | 129 | 142.2 Ų | 142.2 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 128.3 | -176.6 | 25.8 | -33.8 | 0 | 0 | 0 | 111.9 | | |
| 828 | Q | 31.4 | Very low | 32.9 | Very low | 183 Ų | 183 | 143.7 Ų | 143.7 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 153.3 | 164.2 | -67.5 | -175.1 | -22.2 | 0 | 0 | 109.8 | P826 | P826-Q828 PolarHBondContact O-N 2.9Š|
| 829 | R | 28.8 | Very low | 33.2 | Very low | 231 Ų | 231 | 142.8 Ų | 142.8 | 87% | 0.872 | 76% | 0.761 | S | S | * | * | | | trans | 74.3 | 150.9 | -177.1 | -57.9 | 179.4 | 138.2 | -158.1 | -2.4 | 114.2 | | |
| 830 | T | 28.7 | Very low | 33.1 | Very low | 124 Ų | 124 | 143 Ų | 143 | 76% | 0.761 | 76% | 0.757 | S | S | * | * | | | cis | -152.8 | 161.7 | -13 | 8.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 831 | T | 26.5 | Very low | 33.2 | Very low | 132 Ų | 132 | 146.7 Ų | 146.7 | 81% | 0.81 | 76% | 0.756 | S | S | * | * | | | trans | -86.7 | 126.8 | 171.2 | 55.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 832 | S | 28.9 | Very low | 33 | Very low | 118 Ų | 118 | 144.3 Ų | 144.3 | 83% | 0.825 | 75% | 0.748 | S | S | * | * | | | trans | -165.3 | 152.1 | 141.4 | 42.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 833 | L | 31.6 | Very low | 32.7 | Very low | 158 Ų | 158 | 139.4 Ų | 139.4 | 83% | 0.827 | 74% | 0.738 | S | S | * | * | | | trans | -96.9 | 155.9 | 173.5 | -58.1 | 88.4 | 0 | 0 | 0 | 109.6 | | |
| 834 | A | 31.5 | Very low | 32.4 | Very low | 103 Ų | 103 | 141.2 Ų | 141.2 | 85% | 0.851 | 74% | 0.737 | S | S | * | * | | | trans | -121 | 131.7 | 139.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 835 | R | 33 | Very low | 32 | Very low | 207 Ų | 207 | 141.3 Ų | 141.3 | 78% | 0.781 | 73% | 0.729 | S | S | * | * | | | trans | -98.5 | 169.9 | 151.2 | -60.2 | -178.1 | -178.1 | 141.1 | -5.5 | 106.3 | | |
| 836 | D | 31.1 | Very low | 31.8 | Very low | 103 Ų | 103 | 137.2 Ų | 137.2 | 55% | 0.551 | 73% | 0.725 | S | S | * | * | | | | -138.4 | -175 | 100.6 | -109.5 | -26.7 | 0 | 0 | 0 | 108.1 | I259 | I259-D836 HydrophobicContact CG1-CB 3.55Š|
| 837 | H | 34 | Very low | 31.3 | Very low | 84 Ų | 84 | 136 Ų | 136 | 39% | 0.389 | 72% | 0.719 | S | S | . | * | | | | 176.8 | 139.1 | 88 | -110.2 | -132.4 | 0 | 0 | 0 | 107.5 | P256 T257 F258 I259 | P256-H837 HydrophobicContact CB-CB 4.46Å; T257-H837 VanDerWaalsContact CA-ND1 3.29Å; T257-H837 WeakPolarHBondContact CA-ND1 3.47Å; T257-H837 PolarHBondContact N-ND1 3.48Å; T257-H837 CarbonylContact O-C 2.89Å; T257-H837 VanDerWaalsContact O-CA 3.23Å; T257-H837 WeakPolarHBondContact O-CA 3.39Å; T257-H837 WeakPolarHBondContact O-CB 3.41Å; T257-H837 PolarHBondContact O-ND1 3.15Å; F258-H837 PolarHBondContact N-ND1 3.14Å; F258-H837 CarbonylContact O-C 3.52Å; F258-H837 WeakPolarHBondContact O-CA 3.39Å; I259-H837 WeakPolarHBondContact CB-NE2 3.37Å; I259-H837 WeakPolarHBondContact CD1-NE2 3.33Å; I259-H837 VanDerWaalsContact CG1-CD2 3.44Å; I259-H837 WeakPolarHBondContact CG1-CD2 3.5Å; I259-H837 VanDerWaalsContact CG1-NE2 3.27Å; I259-H837 WeakPolarHBondContact CG1-NE2 3.49Å; I259-H837 PolarHBondContact N-CD2 3.31Å; I259-H837 VanDerWaalsContact N-CD2 3.34Å; I259-H837 PolarHBondContact N-CE1 3.42Å; I259-H837 VanDerWaalsContact N-CE1 3.31Å; I259-H837 PolarHBondContact N-NE2 3.27Å |
| 838 | Q | 35.6 | Very low | 31.2 | Very low | 143 Ų | 143 | 136 Ų | 136 | 67% | 0.668 | 72% | 0.717 | S | S | * | * | | | trans | -125.6 | -158.1 | 178.3 | -144.1 | -158.4 | 5.4 | 0 | 0 | 117.2 | T257 F258 | T257-Q838 CarbonylContact C-O 3.6Å; T257-Q838 VanDerWaalsContact C-O 3.31Å; T257-Q838 CarbonylContact O-C 3.45Å; T257-Q838 PolarHBondContact O-N 3.18Å; F258-Q838 WeakPolarHBondContact CB-O 3.42Å; F258-Q838 PolarHBondContact O-N 3.34Å |
| 839 | P | 32.6 | Very low | 31.1 | Very low | 84 Ų | 84 | 134 Ų | 134 | 55% | 0.545 | 71% | 0.713 | S | S | . | * | | | | -157.4 | 178.9 | 94.6 | 40.2 | -18 | 0 | 0 | 0 | 117.2 | F258 | F258-P839 HydrophobicContact CB-CB 4.17Å; F258-P839 HydrophobicContact CD1-CB 4.22Å; F258-P839 HydrophobicContact CG-CB 4.24Å |
| 840 | S | 29.2 | Very low | 31.4 | Very low | 85 Ų | 85 | 129.3 Ų | 129.3 | 59% | 0.594 | 71% | 0.709 | S | S | * | * | | | trans | -80.6 | 163 | -170.8 | 52.8 | 0 | 0 | 0 | 0 | 118.6 | | |
| 841 | R | 33.5 | Very low | 31.4 | Very low | 224 Ų | 224 | 127.6 Ų | 127.6 | 85% | 0.845 | 70% | 0.703 | S | S | * | * | | | | 175.1 | 118.5 | 114 | -95.2 | -175.4 | 178.8 | -169.8 | -2 | 112.2 | | |
| 842 | T | 30.9 | Very low | 31.4 | Very low | 108 Ų | 108 | 127.1 Ų | 127.1 | 66% | 0.663 | 70% | 0.703 | S | S | * | * | | | | 61.2 | 130.4 | 93.2 | 62 | 0 | 0 | 0 | 0 | 114.9 | | |
| 843 | N | 30.4 | Very low | 31.5 | Very low | 121 Ų | 121 | 127.1 Ų | 127.1 | 65% | 0.647 | 70% | 0.703 | S | S | * | * | | | cis | -136.8 | -151.4 | -1.6 | -87.6 | -12.1 | 0 | 0 | 0 | 109 | | |
| 844 | E | 32.8 | Very low | 31.4 | Very low | 152 Ų | 152 | 125.4 Ų | 125.4 | 71% | 0.71 | 70% | 0.704 | S | S | * | * | | | cis | -148.9 | 155.6 | 2.4 | -126.9 | 105.9 | -131.1 | 0 | 0 | 106.2 | | |
| 845 | I | 29.5 | Very low | 31.2 | Very low | 128 Ų | 128 | 131.3 Ų | 131.3 | 66% | 0.656 | 71% | 0.705 | S | S | * | * | | | | 66.5 | 90.3 | 52.2 | -43.8 | 179.8 | 0 | 0 | 0 | 116 | | |
| 846 | N | 32.9 | Very low | 30.9 | Very low | 154 Ų | 154 | 126.1 Ų | 126.1 | 82% | 0.824 | 70% | 0.7 | S | S | * | * | | | | -175.4 | 161.8 | 125.4 | -94.4 | -33 | 0 | 0 | 0 | 110.7 | | |
| 847 | S | 28.5 | Very low | 30.9 | Very low | 85 Ų | 85 | 126.9 Ų | 126.9 | 59% | 0.594 | 71% | 0.714 | S | S | * | * | | | cis | 171.3 | 103.3 | -39 | -90 | 0 | 0 | 0 | 0 | 107.6 | | |
| 848 | T | 34 | Very low | 30.8 | Very low | 128 Ų | 128 | 129.1 Ų | 129.1 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | | | trans | 173.2 | 111.1 | 160.7 | 18.4 | 0 | 0 | 0 | 0 | 106.3 | | |
| 849 | D | 28.6 | Very low | 30.5 | Very low | 143 Ų | 143 | 127.2 Ų | 127.2 | 77% | 0.765 | 74% | 0.738 | S | S | * | * | | | | 66.3 | 126.1 | 82.8 | -62.6 | -48.7 | 0 | 0 | 0 | 112.7 | | |
| 850 | T | 35.1 | Very low | 30.3 | Very low | 131 Ų | 131 | 134.1 Ų | 134.1 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | | | cis | -135.2 | 131.8 | 36.5 | 22.6 | 0 | 0 | 0 | 0 | 116.8 | | |
| 851 | S | 30.2 | Very low | 30.2 | Very low | 89 Ų | 89 | 136.4 Ų | 136.4 | 62% | 0.622 | 76% | 0.759 | S | S | * | * | | | trans | 30.1 | 121.3 | 134.7 | 66.4 | 0 | 0 | 0 | 0 | 122.7 | | |
| 852 | C | 26.5 | Very low | 30 | Very low | 122 Ų | 122 | 131 Ų | 131 | 82% | 0.824 | 75% | 0.75 | S | S | * | * | | | | 47.6 | 122.1 | 119.2 | -52.7 | 0 | 0 | 0 | 0 | 121.5 | | |
| 853 | S | 31.2 | Very low | 29.9 | Very low | 117 Ų | 117 | 132.3 Ų | 132.3 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | | | | -162.5 | 120.8 | 120.4 | -90 | 0 | 0 | 0 | 0 | 114.1 | | |
| 854 | S | 28.3 | Very low | 29.6 | Very low | 122 Ų | 122 | 131 Ų | 131 | 85% | 0.853 | 75% | 0.753 | S | S | * | * | | | trans | -106 | 112.3 | 156.3 | -57 | 0 | 0 | 0 | 0 | 108.3 | | |
| 855 | R | 27.5 | Very low | 29.4 | Very low | 228 Ų | 228 | 128.2 Ų | 128.2 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | | | trans | -173.9 | 123.1 | 171.2 | -101.4 | 147.7 | 167.2 | -152.7 | -6.9 | 106.1 | | |
| 856 | S | 26.4 | Very low | 29.3 | Very low | 98 Ų | 98 | 127.1 Ų | 127.1 | 69% | 0.685 | 75% | 0.75 | S | S | * | * | | | | 66.5 | 105.6 | 56.4 | 81.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 857 | S | 31.1 | Very low | 29.2 | Very low | 119 Ų | 119 | 127 Ų | 127 | 83% | 0.832 | 75% | 0.745 | S | S | * | * | | | trans | 46.9 | 136.3 | 158.3 | -51.2 | 0 | 0 | 0 | 0 | 119.5 | | |
| 858 | P | 32.2 | Very low | 29.3 | Very low | 130 Ų | 130 | 128.7 Ų | 128.7 | 84% | 0.844 | 75% | 0.747 | S | S | * | * | | | | -130.1 | 151.5 | 103.2 | 37.1 | -31.5 | 0 | 0 | 0 | 114 | | |
| 859 | S | 29.6 | Very low | 29.4 | Very low | 103 Ų | 103 | 127.1 Ų | 127.1 | 72% | 0.72 | 74% | 0.739 | S | S | * | * | | | trans | -84.1 | -173.5 | 161.6 | 56.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 860 | R | 27.1 | Very low | 29.5 | Very low | 230 Ų | 230 | 127.3 Ų | 127.3 | 87% | 0.868 | 74% | 0.74 | S | S | * | * | | | trans | 86.5 | 145.3 | -170.2 | -54.7 | 176.3 | -169.7 | -173.7 | 1.8 | 112.1 | | |
| 861 | N | 27.5 | Very low | 29.2 | Very low | 133 Ų | 133 | 125.2 Ų | 125.2 | 71% | 0.711 | 73% | 0.73 | S | S | * | * | | | cis | -149.3 | 153.7 | 12.8 | -134.8 | 13.2 | 0 | 0 | 0 | 112 | | |
| 862 | V | 29.5 | Very low | 29.2 | Very low | 109 Ų | 109 | 128 Ų | 128 | 66% | 0.661 | 73% | 0.734 | S | S | * | * | | | trans | 54.1 | 119.7 | 146.3 | 176.6 | 0 | 0 | 0 | 0 | 117.4 | | |
| 863 | N | 28.7 | Very low | 29.3 | Very low | 137 Ų | 137 | 127.6 Ų | 127.6 | 73% | 0.733 | 73% | 0.727 | S | S | * | * | | | cis | -156.8 | 176.4 | 4.2 | -127.5 | 7.7 | 0 | 0 | 0 | 113.4 | | |
| 864 | S | 25.4 | Very low | 29.1 | Very low | 92 Ų | 92 | 132 Ų | 132 | 64% | 0.643 | 73% | 0.727 | S | S | * | * | | | trans | -35.9 | 156.5 | 151.5 | 60.6 | 0 | 0 | 0 | 0 | 113.9 | | |
| 865 | S | 27 | Very low | 29.1 | Very low | 94 Ų | 94 | 129.4 Ų | 129.4 | 66% | 0.657 | 71% | 0.709 | S | S | * | * | | | cis | -165.1 | 177.5 | 41.3 | 56.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 866 | T | 28.8 | Very low | 29 | Very low | 105 Ų | 105 | 124 Ų | 124 | 64% | 0.644 | 70% | 0.702 | S | S | * | * | | | trans | 29.1 | 130.8 | 138.8 | 57.8 | 0 | 0 | 0 | 0 | 118 | | |
| 867 | Q | 29.7 | Very low | 28.9 | Very low | 153 Ų | 153 | 124.5 Ų | 124.5 | 72% | 0.715 | 70% | 0.701 | S | S | * | * | | | cis | 161.2 | 169.4 | 36.1 | -107.4 | 178.1 | -75.7 | 0 | 0 | 103.7 | | |
| 868 | D | 30.5 | Very low | 28.7 | Very low | 120 Ų | 120 | 125.4 Ų | 125.4 | 64% | 0.642 | 70% | 0.695 | S | S | * | * | | | cis | -145.8 | -177.9 | -17 | -125.6 | -8.4 | 0 | 0 | 0 | 107.2 | | |
| 869 | P | 36.4 | Very low | 28.3 | Very low | 94 Ų | 94 | 123.8 Ų | 123.8 | 61% | 0.61 | 69% | 0.686 | S | S | * | * | | | trans | -94 | -130.4 | -169.9 | 40.8 | -37.4 | 0 | 0 | 0 | 110.2 | | |
| 870 | N | 30 | Very low | 28.3 | Very low | 148 Ų | 148 | 122.4 Ų | 122.4 | 79% | 0.791 | 69% | 0.688 | S | S | * | * | | | trans | 67.1 | 140 | -179.8 | -50.9 | -36.1 | 0 | 0 | 0 | 111.6 | | |
| 871 | S | 29.9 | Very low | 28.3 | Very low | 86 Ų | 86 | 117.8 Ų | 117.8 | 60% | 0.601 | 68% | 0.679 | S | S | * | * | | | cis | 172 | 157 | 1.7 | 179.1 | 0 | 0 | 0 | 0 | 102.3 | | |
| 872 | Q | 31.1 | Very low | 28.2 | Very low | 149 Ų | 149 | 115.7 Ų | 115.7 | 70% | 0.696 | 68% | 0.675 | S | S | * | * | | | cis | -128.8 | 148.4 | 7.2 | -121.5 | 113.9 | -17.7 | 0 | 0 | 104.9 | Y874 | Q872-Y874 HydrophobicContact CG-CD2 4.46Š|
| 873 | V | 27.3 | Very low | 28 | Very low | 113 Ų | 113 | 117.5 Ų | 117.5 | 69% | 0.685 | 68% | 0.681 | S | S | * | * | | | | 41.9 | 65.2 | 54.3 | -167.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 874 | Y | 28.2 | Very low | 28.2 | Very low | 208 Ų | 208 | 115.4 Ų | 115.4 | 82% | 0.816 | 68% | 0.675 | S | S | * | * | | | | -147.4 | 127.7 | 118.3 | -87.3 | -80.3 | 0 | 0 | 0 | 106.7 | Q872 | Q872-Y874 HydrophobicContact CG-CD2 4.46Š|
| 875 | S | 27 | Very low | 28.2 | Very low | 68 Ų | 68 | 115.7 Ų | 115.7 | 48% | 0.476 | 67% | 0.669 | S | S | . | * | | | cis | 147.8 | 146.9 | 2.7 | -101.8 | 0 | 0 | 0 | 0 | 104.3 | | |
| 876 | T | 25.1 | Very low | 28.1 | Very low | 115 Ų | 115 | 116.6 Ų | 116.6 | 71% | 0.706 | 66% | 0.658 | S | S | * | * | | | trans | 50.9 | 135.8 | 133.3 | 74.3 | 0 | 0 | 0 | 0 | 120 | | |
| 877 | T | 25.1 | Very low | 27.9 | Very low | 108 Ų | 108 | 117 Ų | 117 | 66% | 0.663 | 65% | 0.649 | S | S | * | * | | | cis | 177.9 | -176.6 | 7.7 | 23.5 | 0 | 0 | 0 | 0 | 108 | | |
| 878 | I | 25.6 | Very low | 27.9 | Very low | 138 Ų | 138 | 113.9 Ų | 113.9 | 71% | 0.708 | 64% | 0.644 | S | S | * | * | | | trans | 62.4 | 96.2 | 134.6 | -73.9 | 159 | 0 | 0 | 0 | 115.6 | | |
| 879 | C | 25.5 | Very low | 27.7 | Very low | 97 Ų | 97 | 115 Ų | 115 | 66% | 0.655 | 65% | 0.645 | S | S | * | * | | | | 72.1 | -174.5 | 126.9 | -56.7 | 0 | 0 | 0 | 0 | 116.7 | L881 | C879-L881 HydrophobicContact CB-CD1 4.11Å; C879-L881 HydrophobicContact CB-CG 4.31Å |
| 880 | G | 27.8 | Very low | 27 | Very low | 74 Ų | 74 | 116 Ų | 116 | 76% | 0.763 | 65% | 0.653 | S | S | * | * | | | trans | 66.7 | 58.3 | -136 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 881 | L | 27.2 | Very low | 27.5 | Very low | 132 Ų | 132 | 116.9 Ų | 116.9 | 69% | 0.691 | 65% | 0.65 | S | S | * | * | | | | 42.5 | 120.7 | 59.7 | -87.4 | 170.9 | 0 | 0 | 0 | 111.4 | C879 | C879-L881 HydrophobicContact CB-CD1 4.11Å; C879-L881 HydrophobicContact CB-CG 4.31Å |
| 882 | S | 25.6 | Very low | 27.4 | Very low | 90 Ų | 90 | 118.4 Ų | 118.4 | 63% | 0.629 | 66% | 0.658 | S | S | * | * | | | trans | 24.7 | 137.8 | 137.4 | 68.8 | 0 | 0 | 0 | 0 | 117.8 | | |
| 883 | N | 25.8 | Very low | 27.4 | Very low | 147 Ų | 147 | 117.2 Ų | 117.2 | 79% | 0.786 | 66% | 0.656 | S | S | * | * | | | cis | -170.2 | -165.9 | 44 | -138.4 | -3.6 | 0 | 0 | 0 | 109.1 | | |
| 884 | P | 32.6 | Very low | 27.5 | Very low | 92 Ų | 92 | 117.6 Ų | 117.6 | 60% | 0.597 | 65% | 0.654 | S | S | * | * | | | trans | -115.6 | -110.6 | -133 | 35.9 | -14.1 | 0 | 0 | 0 | 109.7 | | |
| 885 | N | 25.4 | Very low | 27.5 | Very low | 98 Ų | 98 | 114 Ų | 114 | 52% | 0.524 | 65% | 0.649 | S | S | . | * | | | trans | 75.3 | 119.4 | 172 | -57.8 | -24 | 0 | 0 | 0 | 113.9 | | |
| 886 | R | 25.2 | Very low | 27.6 | Very low | 113 Ų | 113 | 116 Ų | 116 | 43% | 0.426 | 65% | 0.654 | S | S | . | * | | | | 60.3 | 135.9 | 86.6 | -54.1 | 165.7 | -140.8 | -166.8 | -3.8 | 110.7 | N319 T320 | N319-R886 PolarHBondContact O-NH1 2.62Å; N319-R886 PolarHBondContact O-NH2 3.18Å; T320-R886 PolarHBondContact O-NH1 3.08Å; T320-R886 PolarHBondContact OG1-NH1 2.76Å |
| 887 | Y | 25.9 | Very low | 28.1 | Very low | 114 Ų | 114 | 117.2 Ų | 117.2 | 45% | 0.447 | 65% | 0.653 | S | S | . | * | | | cis | -139.6 | 150.4 | 21.8 | -68.2 | -93.9 | 0 | 0 | 0 | 108.1 | T320 K321 | T320-Y887 PolarHBondContact O-OH 2.73Å; K321-Y887 VanDerWaalsContact C-CE1 3.41Å; K321-Y887 WeakPolarHBondContact O-CE1 3.41Å; K321-Y887 PolarHBondContact O-OH 2.76Å; K321-Y887 VanDerWaalsContact O-OH 3.05Å |
| 888 | S | 28.1 | Very low | 28.2 | Very low | 88 Ų | 88 | 117.9 Ų | 117.9 | 62% | 0.615 | 65% | 0.653 | S | S | * | * | | | cis | 62.4 | 74.9 | 39.1 | 83.3 | 0 | 0 | 0 | 0 | 115.7 | | |
| 889 | H | 26.4 | Very low | 28.3 | Very low | 142 Ų | 142 | 117.8 Ų | 117.8 | 66% | 0.657 | 65% | 0.654 | S | S | * | * | | | trans | -177.8 | 152.9 | 154.4 | -85.1 | -46.6 | 0 | 0 | 0 | 107.8 | | |
| 890 | C | 22.9 | Very low | 28.6 | Very low | 115 Ų | 115 | 121.2 Ų | 121.2 | 78% | 0.777 | 66% | 0.66 | S | S | * | * | | | cis | -160 | -174.8 | -29 | -122.4 | 0 | 0 | 0 | 0 | 107.4 | | |
| 891 | K | 39.1 | Very low | 28.7 | Very low | 168 Ų | 168 | 125.1 Ų | 125.1 | 73% | 0.73 | 66% | 0.662 | S | S | * | * | | | trans | -71 | 172.7 | 167.1 | -52.1 | -174.8 | -179.4 | 178 | 0 | 110.6 | L893 | K891-L893 HydrophobicContact CD-CD1 4.15Š|
| 892 | P | 28.8 | Very low | 29 | Very low | 118 Ų | 118 | 123.7 Ų | 123.7 | 77% | 0.766 | 66% | 0.661 | S | S | * | * | | | | -113.9 | 161.1 | 64.9 | 43.3 | -38.7 | 0 | 0 | 0 | 110.9 | | |
| 893 | L | 30.9 | Very low | 29 | Very low | 124 Ų | 124 | 124.7 Ų | 124.7 | 65% | 0.649 | 66% | 0.659 | S | S | * | * | | | cis | 55.4 | 141.2 | 47 | -119 | 69.6 | 0 | 0 | 0 | 109.2 | K891 | K891-L893 HydrophobicContact CD-CD1 4.15Š|
| 894 | D | 28.4 | Very low | 29.2 | Very low | 120 Ų | 120 | 125.5 Ų | 125.5 | 64% | 0.642 | 66% | 0.656 | S | S | * | * | | | cis | -134.9 | 175.2 | 17.2 | -53.6 | -59.2 | 0 | 0 | 0 | 107.1 | | |
| 895 | N | 29.7 | Very low | 28.9 | Very low | 134 Ų | 134 | 129 Ų | 129 | 72% | 0.717 | 67% | 0.669 | S | S | * | * | | | cis | -168.3 | 159.4 | 30.5 | -106.1 | -50.4 | 0 | 0 | 0 | 105.8 | | |
| 896 | N | 28.4 | Very low | 29.1 | Very low | 108 Ų | 108 | 131.7 Ų | 131.7 | 58% | 0.578 | 68% | 0.681 | S | S | * | * | | | cis | -163.6 | 169.2 | -16.3 | -154.3 | -31.7 | 0 | 0 | 0 | 108.1 | | |
| 897 | M | 36.6 | Very low | 29.2 | Very low | 142 Ų | 142 | 133.4 Ų | 133.4 | 70% | 0.7 | 70% | 0.699 | S | S | * | * | | | trans | 67.3 | 115 | 173.5 | -47.7 | -54.3 | 172.2 | 0 | 0 | 116 | | |
| 898 | N | 26.4 | Very low | 29.4 | Very low | 122 Ų | 122 | 138 Ų | 138 | 65% | 0.652 | 72% | 0.721 | S | S | * | * | | | | 67.2 | 124.3 | 55.4 | -54 | -32.4 | 0 | 0 | 0 | 110.8 | | |
| 899 | N | 27.7 | Very low | 29.4 | Very low | 135 Ų | 135 | 142.8 Ų | 142.8 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | | | cis | -163.6 | 161.3 | 40.3 | -112.4 | -25.4 | 0 | 0 | 0 | 115.7 | | |
| 900 | H | 31.4 | Very low | 29.6 | Very low | 169 Ų | 169 | 141.8 Ų | 141.8 | 78% | 0.782 | 74% | 0.738 | S | S | * | * | | | trans | 61.4 | 108.2 | 150.3 | -78.4 | -71.8 | 0 | 0 | 0 | 124.2 | | |
| 901 | L | 30.2 | Very low | 29.9 | Very low | 156 Ų | 156 | 141.2 Ų | 141.2 | 82% | 0.817 | 74% | 0.735 | S | S | * | * | | | trans | -46.1 | 167.1 | 135.6 | -114.6 | 68.4 | 0 | 0 | 0 | 113.4 | | |
| 902 | P | 34.1 | Very low | 29.4 | Very low | 102 Ų | 102 | 140 Ų | 140 | 66% | 0.662 | 74% | 0.736 | S | S | * | * | | | cis | -141.2 | -159.2 | 9.1 | 41.4 | -20.3 | 0 | 0 | 0 | 115.7 | | |
| 903 | D | 25.7 | Very low | 29.5 | Very low | 112 Ų | 112 | 141.5 Ų | 141.5 | 60% | 0.599 | 74% | 0.737 | S | S | * | * | | | trans | 94.3 | 102.1 | 145.7 | -97 | 12.7 | 0 | 0 | 0 | 122.4 | | |
| 904 | K | 28.5 | Very low | 29.4 | Very low | 164 Ų | 164 | 143 Ų | 143 | 71% | 0.713 | 75% | 0.746 | S | S | * | * | | | | 72.9 | 133.2 | 126.6 | -67.7 | 177.3 | -179 | 88 | 0 | 121 | | |
| 905 | L | 28.1 | Very low | 29.3 | Very low | 165 Ų | 165 | 140 Ų | 140 | 86% | 0.864 | 73% | 0.734 | S | S | * | * | | | trans | 69.5 | 119.2 | 162.6 | -58.6 | 166.3 | 0 | 0 | 0 | 117.2 | | |
| 906 | I | 29 | Very low | 29.5 | Very low | 155 Ų | 155 | 139.4 Ų | 139.4 | 80% | 0.795 | 74% | 0.738 | S | S | * | * | | | trans | 165.4 | 117.3 | 138.5 | -85.4 | 156.1 | 0 | 0 | 0 | 109 | | |
| 907 | D | 27.5 | Very low | 29.8 | Very low | 148 Ų | 148 | 142.1 Ų | 142.1 | 79% | 0.791 | 75% | 0.747 | S | S | * | * | | | trans | 33.7 | 96.4 | 150.5 | -49.4 | -15.9 | 0 | 0 | 0 | 119.2 | | |
| 908 | K | 28.8 | Very low | 29.6 | Very low | 211 Ų | 211 | 140.8 Ų | 140.8 | 92% | 0.917 | 74% | 0.742 | S | S | * | * | | | trans | -106.9 | 41.4 | -176.2 | -156.2 | -178.8 | -179.6 | 178.8 | 0 | 114.4 | | |
| 909 | E | 29.3 | Very low | 29.9 | Very low | 188 Ų | 188 | 142.3 Ų | 142.3 | 88% | 0.879 | 75% | 0.751 | S | S | * | * | | | trans | -138.9 | 33.6 | -175.8 | -140.1 | 176.3 | -111 | 0 | 0 | 115.8 | | |
| 910 | V | 30.9 | Very low | 30.4 | Very low | 122 Ų | 122 | 140.5 Ų | 140.5 | 74% | 0.739 | 75% | 0.745 | S | S | * | * | | | trans | -134.1 | 56.1 | 178.3 | -161.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 911 | S | 27.5 | Very low | 31.1 | Very low | 102 Ų | 102 | 134.5 Ų | 134.5 | 71% | 0.713 | 72% | 0.72 | S | S | * | * | | | trans | -127.9 | -24.1 | -176 | -63.7 | 0 | 0 | 0 | 0 | 117.3 | L913 | S911-L913 VanDerWaalsContact C-N 3.34Å; S911-L913 PolarHBondContact O-N 2.72Å |
| 912 | D | 29.7 | Very low | 31.8 | Very low | 142 Ų | 142 | 133.8 Ų | 133.8 | 76% | 0.759 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -88.3 | 8.8 | -168.7 | -69.2 | -15.1 | 0 | 0 | 0 | 115.5 | N914 | D912-N914 VanDerWaalsContact C-N 3.31Å; D912-N914 PolarHBondContact O-N 2.77Å |
| 913 | L | 31.6 | Very low | 32.3 | Very low | 151 Ų | 151 | 133.2 Ų | 133.2 | 79% | 0.791 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -80 | -0 | -171.3 | -87 | 164.7 | 0 | 0 | 0 | 115.9 | S911 | S911-L913 VanDerWaalsContact C-N 3.34Å; S911-L913 PolarHBondContact O-N 2.72Å |
| 914 | N | 28.8 | Very low | 33.4 | Very low | 155 Ų | 155 | 128.9 Ų | 128.9 | 83% | 0.829 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -114.3 | 8.4 | -172.6 | -71.3 | -34.7 | 0 | 0 | 0 | 115.3 | D912 | D912-N914 VanDerWaalsContact C-N 3.31Å; D912-N914 PolarHBondContact O-N 2.77Å |
| 915 | S | 25.8 | Very low | 34.4 | Very low | 56 Ų | 56 | 128.4 Ų | 128.4 | 39% | 0.392 | 67% | 0.67 | S | S | . | * | | | trans | -76.5 | 126.7 | 169.9 | 177.5 | 0 | 0 | 0 | 0 | 111.2 | E917 | S915-E917 PolarHBondContact O-N 3.04Å; S915-E917 PolarHBondContact OG-N 2.99Å |
| 916 | P | 32.5 | Very low | 35.7 | Very low | 123 Ų | 123 | 126.4 Ų | 126.4 | 80% | 0.799 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -1 | 177.6 | 32 | -36 | 0 | 0 | 0 | 113.9 | | |
| 917 | E | 35.7 | Very low | 37 | Very low | 165 Ų | 165 | 122.1 Ų | 122.1 | 77% | 0.771 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | -10.3 | -177.6 | -59.4 | -172.9 | 133 | 0 | 0 | 113.4 | S915 D919 | S915-E917 PolarHBondContact O-N 3.04Å; S915-E917 PolarHBondContact OG-N 2.99Å; E917-D919 PolarHBondContact O-N 3.09Å |
| 918 | N | 31.8 | Very low | 38.4 | Very low | 113 Ų | 113 | 119.3 Ų | 119.3 | 60% | 0.604 | 63% | 0.627 | S | S | * | * | | | trans | -80.7 | 34.5 | -179.4 | -87.4 | -22.5 | 0 | 0 | 0 | 114.4 | T920 | N918-T920 PolarHBondContact O-N 2.94Å; N918-T920 VanDerWaalsContact O-N 3.09Å |
| 919 | D | 33.6 | Very low | 39.4 | Very low | 154 Ų | 154 | 115.6 Ų | 115.6 | 82% | 0.824 | 61% | 0.608 | S | S | * | * | | | trans | -76.9 | 15.2 | 170.6 | -139.6 | 13.2 | 0 | 0 | 0 | 112.2 | E917 V921 | E917-D919 PolarHBondContact O-N 3.09Å; D919-V921 PolarHBondContact O-N 3.44Å |
| 920 | T | 37.1 | Very low | 40.9 | Very low | 97 Ų | 97 | 112.9 Ų | 112.9 | 60% | 0.595 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -68 | 61.2 | 171.4 | 29.4 | 0 | 0 | 0 | 0 | 112.7 | N918 | N918-T920 PolarHBondContact O-N 2.94Å; N918-T920 VanDerWaalsContact O-N 3.09Å |
| 921 | V | 46.6 | Very low | 42 | Very low | 43 Ų | 43 | 110 Ų | 110 | 26% | 0.261 | 58% | 0.577 | S | S | . | * | | | trans | 59.5 | 71.6 | 136.3 | 172.7 | 0 | 0 | 0 | 0 | 113.1 | D919 W923 S924 | D919-V921 PolarHBondContact O-N 3.44Å; V921-W923 HydrophobicContact CG1-CD2 3.33Å; V921-W923 HydrophobicContact CG1-CE3 3.67Å; V921-W923 HydrophobicContact CG1-CG 3.85Å; V921-W923 HydrophobicContact CG1-CH2 3.84Å; V921-W923 HydrophobicContact CG1-CZ2 3.51Å; V921-W923 HydrophobicContact CG1-CZ3 3.9Å; V921-W923 HydrophobicContact CG2-CZ2 4.27Å; V921-W923 PolarHBondContact O-N 3.43Å; V921-S924 WeakPolarHBondContact O-CB 3.33Å; V921-S924 PolarHBondContact O-N 3.07Å; V921-S924 PolarHBondContact O-OG 2.84Å |
| 922 | W | 45.3 | Very low | 43.7 | Very low | 142 Ų | 142 | 109.7 Ų | 109.7 | 54% | 0.538 | 58% | 0.576 | S | S | . | * | G | 310 helix | trans | -51.1 | -26.1 | 173.9 | 66.5 | -84.4 | 0 | 0 | 0 | 114.1 | S924 H925 L926 | W922-S924 VanDerWaalsContact C-N 3.29Å; W922-S924 PolarHBondContact O-N 3.47Å; W922-H925 PolarHBondContact O-CD2 2.98Å; W922-H925 PolarHBondContact O-N 3.19Å; W922-L926 HydrophobicContact CE3-CD1 4.22Å; W922-L926 HydrophobicContact CZ3-CD1 3.73Å |
| 923 | W | 43.7 | Very low | 45.2 | Very low | 89 Ų | 89 | 107.9 Ų | 107.9 | 34% | 0.337 | 57% | 0.566 | S | S | . | * | G | 310 helix | trans | -74.3 | -11.4 | 175.4 | 58.1 | -102 | 0 | 0 | 0 | 114.5 | V921 H925 L926 L927 L948 L950 | V921-W923 HydrophobicContact CG1-CD2 3.33Å; V921-W923 HydrophobicContact CG1-CE3 3.67Å; V921-W923 HydrophobicContact CG1-CG 3.85Å; V921-W923 HydrophobicContact CG1-CH2 3.84Å; V921-W923 HydrophobicContact CG1-CZ2 3.51Å; V921-W923 HydrophobicContact CG1-CZ3 3.9Å; V921-W923 HydrophobicContact CG2-CZ2 4.27Å; V921-W923 PolarHBondContact O-N 3.43Å; W923-H925 VanDerWaalsContact C-N 3.26Å; W923-H925 PolarHBondContact O-N 3.38Å; W923-L926 PolarHBondContact O-N 3.22Å; W923-L926 VanDerWaalsContact O-N 3.13Å; W923-L927 HydrophobicContact CE3-CD1 3.94Å; W923-L927 HydrophobicContact CE3-CG 4.44Å; W923-L927 HydrophobicContact CZ3-CD1 3.76Å; W923-L927 PolarHBondContact O-N 3.41Å; W923-L948 HydrophobicContact CH2-CD1 4.38Å; W923-L948 HydrophobicContact CZ3-CD1 4.43Å; W923-L950 HydrophobicContact CH2-CD2 3.63Å; W923-L950 HydrophobicContact CH2-CG 4.14Å; W923-L950 HydrophobicContact CZ2-CD2 4.26Å; W923-L950 HydrophobicContact CZ3-CD2 4.49Å |
| 924 | S | 48.7 | Very low | 47.2 | Very low | 22 Ų | 22 | 102.2 Ų | 102.2 | 15% | 0.154 | 54% | 0.536 | C | S | . | . | G | 310 helix | trans | -66.3 | -28.9 | 171.1 | 60.7 | 0 | 0 | 0 | 0 | 112.6 | V921 W922 L926 L927 | V921-S924 WeakPolarHBondContact O-CB 3.33Å; V921-S924 PolarHBondContact O-N 3.07Å; V921-S924 PolarHBondContact O-OG 2.84Å; W922-S924 VanDerWaalsContact C-N 3.29Å; W922-S924 PolarHBondContact O-N 3.47Å; S924-L926 PolarHBondContact O-N 3.21Å; S924-L927 PolarHBondContact O-N 3.06Å |
| 925 | H | 51.3 | Low | 49.4 | Very low | 153 Ų | 153 | 98.6 Ų | 98.6 | 71% | 0.708 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -72.9 | -14.5 | 173.4 | -55.7 | -90.8 | 0 | 0 | 0 | 113 | W922 W923 | W922-H925 PolarHBondContact O-CD2 2.98Å; W922-H925 PolarHBondContact O-N 3.19Å; W923-H925 VanDerWaalsContact C-N 3.26Å; W923-H925 PolarHBondContact O-N 3.38Å |
| 926 | L | 54.4 | Low | 51.5 | Low | 123 Ų | 123 | 99.6 Ų | 99.6 | 64% | 0.644 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -95.2 | -4.6 | 174.3 | -62.4 | 177.2 | 0 | 0 | 0 | 112.9 | W922 W923 S924 | W922-L926 HydrophobicContact CE3-CD1 4.22Å; W922-L926 HydrophobicContact CZ3-CD1 3.73Å; W923-L926 PolarHBondContact O-N 3.22Å; W923-L926 VanDerWaalsContact O-N 3.13Å; S924-L926 PolarHBondContact O-N 3.21Å |
| 927 | L | 56 | Low | 53.4 | Low | 66 Ų | 66 | 99.7 Ų | 99.7 | 35% | 0.346 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -90.7 | 134.1 | 172.2 | -68 | 178.6 | 0 | 0 | 0 | 109.6 | W923 S924 Y929 | W923-L927 HydrophobicContact CE3-CD1 3.94Å; W923-L927 HydrophobicContact CE3-CG 4.44Å; W923-L927 HydrophobicContact CZ3-CD1 3.76Å; W923-L927 PolarHBondContact O-N 3.41Å; S924-L927 PolarHBondContact O-N 3.06Å; L927-Y929 WeakPolarHBondContact CB-O 3.41Å; L927-Y929 PolarHBondContact O-N 2.94Å |
| 928 | P | 57.8 | Low | 55.1 | Low | 89 Ų | 89 | 94.8 Ų | 94.8 | 58% | 0.578 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -65.9 | -4.9 | 174 | 27.9 | -34.7 | 0 | 0 | 0 | 113.4 | | |
| 929 | Y | 49.6 | Very low | 56.8 | Low | 132 Ų | 132 | 90.2 Ų | 90.2 | 52% | 0.518 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -131.5 | 119.9 | 172.3 | -53.3 | -76.1 | 0 | 0 | 0 | 109.2 | L927 L934 | L927-Y929 WeakPolarHBondContact CB-O 3.41Å; L927-Y929 PolarHBondContact O-N 2.94Å; Y929-L934 HydrophobicContact CD2-CD2 4.32Å; Y929-L934 HydrophobicContact CG-CD2 4.19Å |
| 930 | K | 60.2 | Low | 58.4 | Low | 132 Ų | 132 | 86 Ų | 86 | 57% | 0.574 | 46% | 0.456 | S | S | * | . | | | trans | -56.8 | 149.7 | 163.3 | -67.3 | -176.9 | 179.1 | -179.3 | 0 | 109 | S932 N933 L934 | K930-S932 WeakPolarHBondContact CB-OG 3.46Å; K930-S932 PolarHBondContact O-N 3.11Å; K930-N933 HydrophobicContact CB-CB 4.47Å; K930-N933 PolarHBondContact O-N 2.92Å; K930-L934 PolarHBondContact O-N 3.19Å |
| 931 | P | 54.4 | Low | 60 | Low | 60 Ų | 60 | 85.8 Ų | 85.8 | 39% | 0.39 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -55.7 | -26.3 | 178.1 | -28 | 36.1 | 0 | 0 | 0 | 114.7 | N933 L950 | P931-N933 VanDerWaalsContact C-N 3.34Å; P931-L950 HydrophobicContact CB-CD1 4.37Å |
| 932 | S | 63.3 | Low | 61 | Low | 97 Ų | 97 | 85.8 Ų | 85.8 | 68% | 0.678 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -70.9 | -21.7 | 172.5 | 50.2 | 0 | 0 | 0 | 0 | 114.9 | K930 | K930-S932 WeakPolarHBondContact CB-OG 3.46Å; K930-S932 PolarHBondContact O-N 3.11Å |
| 933 | N | 61.6 | Low | 62.1 | Low | 104 Ų | 104 | 86.5 Ų | 86.5 | 56% | 0.556 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -109.1 | 3.8 | -170.3 | -62.7 | 36.7 | 0 | 0 | 0 | 112.2 | K930 P931 | K930-N933 HydrophobicContact CB-CB 4.47Å; K930-N933 PolarHBondContact O-N 2.92Å; P931-N933 VanDerWaalsContact C-N 3.34Å |
| 934 | L | 73.4 | Confident | 63.4 | Low | 32 Ų | 32 | 89.7 Ų | 89.7 | 17% | 0.168 | 46% | 0.464 | C | S | . | . | S | Bend | trans | -73.3 | 128.3 | 171 | -72.9 | 168.5 | 0 | 0 | 0 | 109.5 | Y929 K930 S936 L938 A939 L948 | Y929-L934 HydrophobicContact CD2-CD2 4.32Å; Y929-L934 HydrophobicContact CG-CD2 4.19Å; K930-L934 PolarHBondContact O-N 3.19Å; L934-S936 PolarHBondContact O-N 2.9Å; L934-L938 HydrophobicContact CD2-CD2 3.85Å; L934-L938 HydrophobicContact CD2-CG 4.33Å; L934-A939 HydrophobicContact CB-CB 4.23Å; L934-L948 HydrophobicContact CD1-CD2 4.24Å |
| 935 | P | 74.2 | Confident | 64.1 | Low | 78 Ų | 78 | 95.4 Ų | 95.4 | 51% | 0.506 | 48% | 0.482 | S | S | . | . | | | trans | -54.2 | 139.2 | 168.6 | -25.1 | 34.3 | 0 | 0 | 0 | 110.6 | N937 L938 A939 | P935-N937 PolarHBondContact O-N 3.45Å; P935-N937 VanDerWaalsContact O-N 3.13Å; P935-L938 HydrophobicContact CB-CB 4.41Å; P935-L938 WeakPolarHBondContact O-CA 3.44Å; P935-L938 WeakPolarHBondContact O-CB 3.39Å; P935-L938 PolarHBondContact O-N 3.09Å; P935-A939 PolarHBondContact O-N 2.91Å |
| 936 | S | 70.9 | Confident | 64.1 | Low | 78 Ų | 78 | 94.7 Ų | 94.7 | 55% | 0.545 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -48.1 | -46.6 | -178 | 50.8 | 0 | 0 | 0 | 0 | 112.4 | L934 L938 A939 D940 | L934-S936 PolarHBondContact O-N 2.9Å; S936-L938 PolarHBondContact O-N 3.39Å; S936-A939 PolarHBondContact O-N 3.27Å; S936-D940 WeakPolarHBondContact O-CB 3.41Å; S936-D940 PolarHBondContact O-N 2.93Å |
| 937 | N | 71.8 | Confident | 64 | Low | 124 Ų | 124 | 92.4 Ų | 92.4 | 66% | 0.663 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.7 | -29.3 | -178.3 | -55.6 | 2 | 0 | 0 | 0 | 112.4 | P935 R941 | P935-N937 PolarHBondContact O-N 3.45Å; P935-N937 VanDerWaalsContact O-N 3.13Å; N937-R941 WeakPolarHBondContact O-CB 3.22Å; N937-R941 VanDerWaalsContact O-CG 3.23Å; N937-R941 WeakPolarHBondContact O-CG 3.42Å; N937-R941 PolarHBondContact O-N 3.48Å; N937-R941 VanDerWaalsContact O-N 3.13Å |
| 938 | L | 70.7 | Confident | 63.7 | Low | 63 Ų | 63 | 91.3 Ų | 91.3 | 33% | 0.33 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -81.7 | -42.8 | 175.1 | -177.2 | 60.1 | 0 | 0 | 0 | 111.2 | L934 P935 S936 D940 R941 L942 | L934-L938 HydrophobicContact CD2-CD2 3.85Å; L934-L938 HydrophobicContact CD2-CG 4.33Å; P935-L938 HydrophobicContact CB-CB 4.41Å; P935-L938 WeakPolarHBondContact O-CA 3.44Å; P935-L938 WeakPolarHBondContact O-CB 3.39Å; P935-L938 PolarHBondContact O-N 3.09Å; S936-L938 PolarHBondContact O-N 3.39Å; L938-D940 VanDerWaalsContact C-N 3.29Å; L938-D940 PolarHBondContact O-N 3.13Å; L938-R941 PolarHBondContact O-N 3.29Å; L938-L942 HydrophobicContact CD1-CD1 4.34Å; L938-L942 HydrophobicContact CD1-CG 4.37Å; L938-L942 HydrophobicContact CG-CD1 4.12Å; L938-L942 WeakPolarHBondContact O-CB 3.34Å; L938-L942 VanDerWaalsContact O-CG 3.26Å; L938-L942 WeakPolarHBondContact O-CG 3.23Å; L938-L942 PolarHBondContact O-N 3.41Å |
| 939 | A | 68.5 | Low | 63.1 | Low | 17 Ų | 17 | 93.3 Ų | 93.3 | 14% | 0.14 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -58.2 | -41.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L934 P935 S936 L942 R943 | L934-A939 HydrophobicContact CB-CB 4.23Å; P935-A939 PolarHBondContact O-N 2.91Å; S936-A939 PolarHBondContact O-N 3.27Å; A939-L942 PolarHBondContact O-N 3.13Å; A939-R943 VanDerWaalsContact O-CG 3.31Å; A939-R943 WeakPolarHBondContact O-CG 3.45Å; A939-R943 PolarHBondContact O-N 2.83Å |
| 940 | D | 67.2 | Low | 62.7 | Low | 65 Ų | 65 | 90.2 Ų | 90.2 | 35% | 0.348 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -76.5 | -36.7 | 178.4 | -67.9 | -33.8 | 0 | 0 | 0 | 112.9 | S936 L938 L942 R943 Q944 | S936-D940 WeakPolarHBondContact O-CB 3.41Å; S936-D940 PolarHBondContact O-N 2.93Å; L938-D940 VanDerWaalsContact C-N 3.29Å; L938-D940 PolarHBondContact O-N 3.13Å; D940-L942 VanDerWaalsContact C-N 3.27Å; D940-L942 PolarHBondContact O-N 3.45Å; D940-R943 PolarHBondContact O-N 2.88Å; D940-R943 WeakPolarHBondContact OD1-CD 3.39Å; D940-R943 IonicContact OD1-CZ 2.77Å; D940-R943 IonicContact OD1-NE 3.92Å; D940-R943 IonicContact OD1-NH1 2.72Å; D940-R943 PolarHBondContact OD1-NH1 3.13Å; D940-Q944 WeakPolarHBondContact O-CB 3.48Å; D940-Q944 WeakPolarHBondContact O-CG 3.37Å; D940-Q944 PolarHBondContact O-N 3.01Å |
| 941 | R | 69.3 | Low | 61.4 | Low | 93 Ų | 93 | 89 Ų | 89 | 35% | 0.351 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -57.2 | -40 | 167.2 | -81.6 | 175.2 | 99.9 | -147.6 | 4.1 | 111.6 | N937 L938 R945 D1169 | N937-R941 WeakPolarHBondContact O-CB 3.22Å; N937-R941 VanDerWaalsContact O-CG 3.23Å; N937-R941 WeakPolarHBondContact O-CG 3.42Å; N937-R941 PolarHBondContact O-N 3.48Å; N937-R941 VanDerWaalsContact O-N 3.13Å; L938-R941 PolarHBondContact O-N 3.29Å; R941-R945 WeakPolarHBondContact O-CB 3.35Å; R941-R945 WeakPolarHBondContact O-CG 3.45Å; R941-R945 PolarHBondContact O-N 3.44Å; R941-R945 VanDerWaalsContact O-N 3.13Å; R941-D1169 IonicContact CZ-OD1 2.83Å; R941-D1169 IonicContact NH1-OD1 3.69Å; R941-D1169 PolarHBondContact NH1-OD1 3.31Å; R941-D1169 IonicContact NH2-OD1 2.88Å; R941-D1169 PolarHBondContact NH2-OD1 2.72Å; R941-D1169 IonicContact NH2-OD2 3.34Å; R941-D1169 PolarHBondContact NH2-OD2 2.97Å |
| 942 | L | 68.5 | Low | 60.3 | Low | 42 Ų | 42 | 96.4 Ų | 96.4 | 22% | 0.22 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -72.5 | -34.5 | 179.7 | -74.8 | 171 | 0 | 0 | 0 | 113.3 | L938 A939 D940 S947 L948 | L938-L942 HydrophobicContact CD1-CD1 4.34Å; L938-L942 HydrophobicContact CD1-CG 4.37Å; L938-L942 HydrophobicContact CG-CD1 4.12Å; L938-L942 WeakPolarHBondContact O-CB 3.34Å; L938-L942 VanDerWaalsContact O-CG 3.26Å; L938-L942 WeakPolarHBondContact O-CG 3.23Å; L938-L942 PolarHBondContact O-N 3.41Å; A939-L942 PolarHBondContact O-N 3.13Å; D940-L942 VanDerWaalsContact C-N 3.27Å; D940-L942 PolarHBondContact O-N 3.45Å; L942-S947 PolarHBondContact O-N 2.85Å; L942-L948 HydrophobicContact CB-CB 3.86Å; L942-L948 HydrophobicContact CB-CD2 4.43Å; L942-L948 HydrophobicContact CD1-CD2 4.37Å; L942-L948 PolarHBondContact O-N 2.99Å |
| 943 | R | 69.4 | Low | 58.6 | Low | 158 Ų | 158 | 97.2 Ų | 97.2 | 60% | 0.596 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.7 | -52.8 | 169.7 | -74.2 | 163.8 | 173.8 | 167.5 | -2.1 | 111.3 | A939 D940 R945 N946 | A939-R943 VanDerWaalsContact O-CG 3.31Å; A939-R943 WeakPolarHBondContact O-CG 3.45Å; A939-R943 PolarHBondContact O-N 2.83Å; D940-R943 PolarHBondContact O-N 2.88Å; D940-R943 WeakPolarHBondContact OD1-CD 3.39Å; D940-R943 IonicContact OD1-CZ 2.77Å; D940-R943 IonicContact OD1-NE 3.92Å; D940-R943 IonicContact OD1-NH1 2.72Å; D940-R943 PolarHBondContact OD1-NH1 3.13Å; R943-R945 PolarHBondContact O-N 3.45Å; R943-N946 PolarHBondContact O-N 3.03Å |
| 944 | Q | 70.2 | Confident | 56.9 | Low | 156 Ų | 156 | 96 Ų | 96 | 73% | 0.729 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -57.4 | -34.8 | -179.4 | -73.7 | 170.3 | 2.6 | 0 | 0 | 112.9 | D940 N946 | D940-Q944 WeakPolarHBondContact O-CB 3.48Å; D940-Q944 WeakPolarHBondContact O-CG 3.37Å; D940-Q944 PolarHBondContact O-N 3.01Å; Q944-N946 VanDerWaalsContact C-N 3.32Å; Q944-N946 PolarHBondContact O-N 3.44Å |
| 945 | R | 63.4 | Low | 54.7 | Low | 142 Ų | 142 | 100.5 Ų | 100.5 | 54% | 0.536 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 10.1 | 178 | -68.8 | 176.1 | 165.9 | 170.2 | -6.5 | 114.1 | R941 R943 S947 | R941-R945 WeakPolarHBondContact O-CB 3.35Å; R941-R945 WeakPolarHBondContact O-CG 3.45Å; R941-R945 PolarHBondContact O-N 3.44Å; R941-R945 VanDerWaalsContact O-N 3.13Å; R943-R945 PolarHBondContact O-N 3.45Å; R945-S947 WeakPolarHBondContact CB-OG 3.45Å; R945-S947 PolarHBondContact O-N 2.88Å; R945-S947 PolarHBondContact O-OG 2.87Å |
| 946 | N | 50.3 | Low | 52.5 | Low | 137 Ų | 137 | 102.2 Ų | 102.2 | 73% | 0.733 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.3 | 20.8 | -173 | -69.3 | -34.4 | 0 | 0 | 0 | 114.2 | R943 Q944 | R943-N946 PolarHBondContact O-N 3.03Å; Q944-N946 VanDerWaalsContact C-N 3.32Å; Q944-N946 PolarHBondContact O-N 3.44Å |
| 947 | S | 54.2 | Low | 50.5 | Low | 76 Ų | 76 | 104.5 Ų | 104.5 | 53% | 0.531 | 55% | 0.553 | S | S | . | * | | | trans | -88.1 | -27 | -166 | -63.7 | 0 | 0 | 0 | 0 | 111.9 | L942 R945 | L942-S947 PolarHBondContact O-N 2.85Å; R945-S947 WeakPolarHBondContact CB-OG 3.45Å; R945-S947 PolarHBondContact O-N 2.88Å; R945-S947 PolarHBondContact O-OG 2.87Å |
| 948 | L | 48.9 | Very low | 48.4 | Very low | 43 Ų | 43 | 109.6 Ų | 109.6 | 23% | 0.225 | 56% | 0.563 | C | S | . | * | | | trans | -107.5 | 81.9 | 171.8 | -174.4 | 67.9 | 0 | 0 | 0 | 109.3 | W923 L934 L942 L950 | W923-L948 HydrophobicContact CH2-CD1 4.38Å; W923-L948 HydrophobicContact CZ3-CD1 4.43Å; L934-L948 HydrophobicContact CD1-CD2 4.24Å; L942-L948 HydrophobicContact CB-CB 3.86Å; L942-L948 HydrophobicContact CB-CD2 4.43Å; L942-L948 HydrophobicContact CD1-CD2 4.37Å; L942-L948 PolarHBondContact O-N 2.99Å; L948-L950 HydrophobicContact CD1-CD1 4.5Å; L948-L950 HydrophobicContact CD1-CG 4.19Å; L948-L950 HydrophobicContact CD2-CD1 3.75Å; L948-L950 HydrophobicContact CD2-CG 4.25Å; L948-L950 HydrophobicContact CG-CD1 4.04Å; L948-L950 HydrophobicContact CG-CG 3.97Å; L948-L950 PolarHBondContact O-N 3.49Å |
| 949 | I | 44.3 | Very low | 46.4 | Very low | 131 Ų | 131 | 115.4 Ų | 115.4 | 67% | 0.672 | 59% | 0.594 | S | S | * | * | | | trans | -73.7 | 71.3 | 163.6 | -50.1 | 179 | 0 | 0 | 0 | 107.8 | S951 | I949-S951 VanDerWaalsContact C-N 3.33Å; I949-S951 PolarHBondContact O-N 2.93Å; I949-S951 VanDerWaalsContact O-N 3.13Å |
| 950 | L | 42.5 | Very low | 44.4 | Very low | 66 Ų | 66 | 118.8 Ų | 118.8 | 35% | 0.346 | 62% | 0.616 | S | S | . | * | | | trans | -64.8 | 102.7 | 150.8 | -87.6 | 167 | 0 | 0 | 0 | 105.7 | W923 P931 L948 R952 | W923-L950 HydrophobicContact CH2-CD2 3.63Å; W923-L950 HydrophobicContact CH2-CG 4.14Å; W923-L950 HydrophobicContact CZ2-CD2 4.26Å; W923-L950 HydrophobicContact CZ3-CD2 4.49Å; P931-L950 HydrophobicContact CB-CD1 4.37Å; L948-L950 HydrophobicContact CD1-CD1 4.5Å; L948-L950 HydrophobicContact CD1-CG 4.19Å; L948-L950 HydrophobicContact CD2-CD1 3.75Å; L948-L950 HydrophobicContact CD2-CG 4.25Å; L948-L950 HydrophobicContact CG-CD1 4.04Å; L948-L950 HydrophobicContact CG-CG 3.97Å; L948-L950 PolarHBondContact O-N 3.49Å; L950-R952 PolarHBondContact O-N 3.23Å |
| 951 | S | 33.1 | Very low | 42.5 | Very low | 106 Ų | 106 | 122.9 Ų | 122.9 | 74% | 0.741 | 64% | 0.638 | S | S | * | * | | | trans | -53.6 | 102.9 | 168.7 | -60.8 | 0 | 0 | 0 | 0 | 108 | I949 S953 | I949-S951 VanDerWaalsContact C-N 3.33Å; I949-S951 PolarHBondContact O-N 2.93Å; I949-S951 VanDerWaalsContact O-N 3.13Å; S951-S953 PolarHBondContact O-N 3.3Å |
| 952 | R | 31.2 | Very low | 40.4 | Very low | 216 Ų | 216 | 124 Ų | 124 | 82% | 0.815 | 66% | 0.66 | S | S | * | * | | | trans | -69.3 | 105.2 | 174.5 | -59.9 | -178.4 | 81.4 | 178.2 | 4.8 | 106 | L950 S954 | L950-R952 PolarHBondContact O-N 3.23Å; R952-S954 PolarHBondContact O-N 3.13Å |
| 953 | S | 26.8 | Very low | 38.7 | Very low | 115 Ų | 115 | 127.7 Ų | 127.7 | 80% | 0.804 | 69% | 0.69 | S | S | * | * | | | trans | -47 | 129.4 | 154.2 | 32.2 | 0 | 0 | 0 | 0 | 107.4 | S951 | S951-S953 PolarHBondContact O-N 3.3Š|
| 954 | S | 26.4 | Very low | 36.9 | Very low | 78 Ų | 78 | 126.7 Ų | 126.7 | 55% | 0.545 | 70% | 0.695 | S | S | . | * | | | trans | -55.9 | 144.6 | -164.8 | -61.2 | 0 | 0 | 0 | 0 | 111.8 | R952 T956 | R952-S954 PolarHBondContact O-N 3.13Å; S954-T956 VanDerWaalsContact CB-OG1 3.29Å; S954-T956 WeakPolarHBondContact CB-OG1 3.47Å; S954-T956 PolarHBondContact O-N 3.2Å |
| 955 | P | 26.7 | Very low | 34.9 | Very low | 127 Ų | 127 | 125.5 Ų | 125.5 | 83% | 0.825 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -75 | 60.7 | 176.6 | 33.7 | -36.4 | 0 | 0 | 0 | 110.8 | | |
| 956 | T | 28.9 | Very low | 33.2 | Very low | 114 Ų | 114 | 124.9 Ų | 124.9 | 70% | 0.699 | 71% | 0.708 | S | S | * | * | | | trans | -140.1 | 33.2 | -169 | 56.5 | 0 | 0 | 0 | 0 | 112.2 | S954 | S954-T956 VanDerWaalsContact CB-OG1 3.29Å; S954-T956 WeakPolarHBondContact CB-OG1 3.47Å; S954-T956 PolarHBondContact O-N 3.2Å |
| 957 | T | 29.1 | Very low | 32.3 | Very low | 126 Ų | 126 | 123.2 Ų | 123.2 | 77% | 0.773 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -134.9 | 103 | 174.3 | 29 | 0 | 0 | 0 | 0 | 111.9 | | |
| 958 | R | 27.4 | Very low | 31.1 | Very low | 231 Ų | 231 | 128.5 Ų | 128.5 | 87% | 0.872 | 72% | 0.721 | S | S | * | * | | | trans | 48 | 83.4 | 154 | -64.3 | 179.8 | 168.7 | -177.1 | -4.9 | 117.7 | | |
| 959 | L | 28.3 | Very low | 30.4 | Very low | 185 Ų | 185 | 130.5 Ų | 130.5 | 97% | 0.969 | 74% | 0.737 | S | S | * | * | | | trans | -91.8 | 116.3 | 133.9 | -77.8 | 175.4 | 0 | 0 | 0 | 107.7 | | |
| 960 | S | 26.6 | Very low | 29.8 | Very low | 87 Ų | 87 | 133.2 Ų | 133.2 | 61% | 0.608 | 74% | 0.744 | S | S | * | * | | | trans | -100 | 143.9 | 178.1 | -58.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 961 | N | 26.4 | Very low | 29.3 | Very low | 152 Ų | 152 | 137.3 Ų | 137.3 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | | | trans | 63 | 93.3 | 158.5 | -53.5 | -5.5 | 0 | 0 | 0 | 118 | | |
| 962 | S | 26.8 | Very low | 29 | Very low | 117 Ų | 117 | 138.3 Ų | 138.3 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | | | | 169.8 | 156.9 | 112.4 | 47.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 963 | S | 32.5 | Very low | 28.8 | Very low | 119 Ų | 119 | 134 Ų | 134 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | | | trans | 58.9 | 110.8 | 177.4 | 53.1 | 0 | 0 | 0 | 0 | 118.2 | | |
| 964 | L | 30.2 | Very low | 29.1 | Very low | 136 Ų | 136 | 136.4 Ų | 136.4 | 71% | 0.712 | 76% | 0.76 | S | S | * | * | | | trans | -75.9 | 172.2 | 163.6 | -70.1 | 164.7 | 0 | 0 | 0 | 111 | | |
| 965 | P | 28.8 | Very low | 29.3 | Very low | 132 Ų | 132 | 142.4 Ų | 142.4 | 86% | 0.857 | 78% | 0.777 | S | S | * | * | | | | -131.2 | 140.2 | 96 | 36.2 | -28.6 | 0 | 0 | 0 | 114.5 | | |
| 966 | N | 27.3 | Very low | 29.5 | Very low | 128 Ų | 128 | 142 Ų | 142 | 68% | 0.684 | 78% | 0.777 | S | S | * | * | | | trans | -89 | 141.7 | 170.8 | -79.9 | -12.7 | 0 | 0 | 0 | 111.3 | | |
| 967 | S | 31.4 | Very low | 29.4 | Very low | 102 Ų | 102 | 143.1 Ų | 143.1 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | | | trans | -177.7 | 136.2 | 161.7 | -77.7 | 0 | 0 | 0 | 0 | 107.9 | | |
| 968 | F | 30.2 | Very low | 29.6 | Very low | 187 Ų | 187 | 144.6 Ų | 144.6 | 82% | 0.82 | 78% | 0.782 | S | S | * | * | | | cis | -152.6 | -159.8 | -12.2 | -109.4 | -56.3 | 0 | 0 | 0 | 106.6 | | |
| 969 | P | 34.6 | Very low | 29.7 | Very low | 86 Ų | 86 | 140.8 Ų | 140.8 | 56% | 0.558 | 78% | 0.779 | S | S | * | * | | | | -122.4 | -155.4 | -110.6 | 32.7 | -7.4 | 0 | 0 | 0 | 114.3 | | |
| 970 | F | 30.8 | Very low | 29.9 | Very low | 187 Ų | 187 | 137.1 Ų | 137.1 | 82% | 0.82 | 77% | 0.769 | S | S | * | * | | | trans | 79.8 | 139.5 | 172.6 | -53.2 | -67 | 0 | 0 | 0 | 116.5 | | |
| 971 | N | 31.6 | Very low | 29.9 | Very low | 152 Ų | 152 | 138.4 Ų | 138.4 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | | | cis | -140.6 | 164.2 | -11.4 | -155.7 | 4.7 | 0 | 0 | 0 | 111.7 | | |
| 972 | N | 27 | Very low | 30.1 | Very low | 127 Ų | 127 | 138 Ų | 138 | 68% | 0.679 | 77% | 0.765 | S | S | * | * | | | trans | -84.9 | 154.6 | -173.9 | -121.9 | -13.3 | 0 | 0 | 0 | 113.4 | | |
| 973 | N | 27.3 | Very low | 30.2 | Very low | 125 Ų | 125 | 136.9 Ų | 136.9 | 67% | 0.668 | 75% | 0.748 | S | S | * | * | | | trans | 42.1 | 120.8 | 147.8 | -57 | -29.5 | 0 | 0 | 0 | 120.2 | | |
| 974 | N | 33.7 | Very low | 29.9 | Very low | 166 Ų | 166 | 137 Ų | 137 | 89% | 0.888 | 74% | 0.738 | S | S | * | * | | | | -160.9 | 158.7 | 101.4 | -103.5 | -34.7 | 0 | 0 | 0 | 114 | | |
| 975 | K | 29 | Very low | 29.9 | Very low | 205 Ų | 205 | 137.2 Ų | 137.2 | 89% | 0.891 | 74% | 0.739 | S | S | * | * | | | trans | -81 | 138.7 | 179.1 | -60.9 | 169.3 | 179.7 | 172.2 | 0 | 110.9 | | |
| 976 | S | 31.1 | Very low | 29.8 | Very low | 117 Ų | 117 | 138 Ų | 138 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | | | trans | -159.7 | 145 | 132.5 | -162 | 0 | 0 | 0 | 0 | 111.1 | | |
| 977 | N | 28.2 | Very low | 29.7 | Very low | 139 Ų | 139 | 137.9 Ų | 137.9 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | | | trans | -83.9 | 148 | 165.6 | -64.6 | -30.9 | 0 | 0 | 0 | 108.8 | | |
| 978 | N | 33.5 | Very low | 29.5 | Very low | 156 Ų | 156 | 141.4 Ų | 141.4 | 83% | 0.834 | 74% | 0.736 | S | S | * | * | | | | -175.3 | 167.5 | 111.6 | -91.6 | -26.9 | 0 | 0 | 0 | 112.9 | | |
| 979 | N | 28 | Very low | 29.2 | Very low | 152 Ų | 152 | 137.6 Ų | 137.6 | 81% | 0.813 | 73% | 0.733 | S | S | * | * | | | trans | -97 | 178.5 | -164.3 | -71.5 | -61 | 0 | 0 | 0 | 114 | | |
| 980 | S | 32.2 | Very low | 28.8 | Very low | 108 Ų | 108 | 141.3 Ų | 141.3 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | | | trans | 76.3 | 116.5 | 176 | 72.9 | 0 | 0 | 0 | 0 | 114.8 | | |
| 981 | N | 26.8 | Very low | 28.5 | Very low | 114 Ų | 114 | 141.7 Ų | 141.7 | 61% | 0.61 | 74% | 0.742 | S | S | * | * | | | | 68.7 | 103.3 | 63.3 | -80.5 | -57.8 | 0 | 0 | 0 | 113.6 | R382 | R382-N981 PolarHBondContact NH1-OD1 3.23Å; R382-N981 PolarHBondContact NH2-OD1 2.85Å |
| 982 | L | 30.6 | Very low | 28.2 | Very low | 142 Ų | 142 | 143 Ų | 143 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | | | trans | 167.6 | 110 | 132 | -86.2 | 171.2 | 0 | 0 | 0 | 107 | | |
| 983 | Q | 29.6 | Very low | 28.2 | Very low | 95 Ų | 95 | 144.1 Ų | 144.1 | 44% | 0.444 | 74% | 0.744 | S | S | . | * | | | | 77.4 | 110.5 | 88.7 | -86.7 | -160.3 | 88.3 | 0 | 0 | 116.3 | | |
| 984 | N | 26.6 | Very low | 28.1 | Very low | 120 Ų | 120 | 143 Ų | 143 | 64% | 0.642 | 75% | 0.746 | S | S | * | * | | | trans | 66.5 | 160.1 | 149.5 | -40.9 | -28 | 0 | 0 | 0 | 115.2 | | |
| 985 | I | 29 | Very low | 27.8 | Very low | 142 Ų | 142 | 142.2 Ų | 142.2 | 73% | 0.728 | 74% | 0.742 | S | S | * | * | | | cis | -137.1 | 131.6 | 11.8 | -93 | 102.5 | 0 | 0 | 0 | 106.6 | | |
| 986 | M | 26.4 | Very low | 27.9 | Very low | 149 Ų | 149 | 138.2 Ų | 138.2 | 73% | 0.734 | 74% | 0.74 | S | S | * | * | | | | 58.1 | 110.4 | 87.1 | -94.3 | -160.3 | -56.6 | 0 | 0 | 118.8 | | |
| 987 | I | 26.6 | Very low | 27.9 | Very low | 125 Ų | 125 | 135.8 Ų | 135.8 | 64% | 0.641 | 73% | 0.733 | S | S | * | * | | | trans | 76.2 | 140.1 | 132 | -64.6 | 173.2 | 0 | 0 | 0 | 120.2 | | |
| 988 | Q | 26.1 | Very low | 28.1 | Very low | 176 Ų | 176 | 136.3 Ų | 136.3 | 82% | 0.822 | 74% | 0.736 | S | S | * | * | | | trans | 65.5 | 161.9 | 172.4 | -102.5 | 69.7 | 90.4 | 0 | 0 | 114.9 | | |
| 989 | S | 24.6 | Very low | 27.9 | Very low | 106 Ų | 106 | 138.2 Ų | 138.2 | 74% | 0.741 | 73% | 0.733 | S | S | * | * | | | cis | -151.4 | -166.5 | -1 | 44.7 | 0 | 0 | 0 | 0 | 112 | | |
| 990 | M | 25.2 | Very low | 28.1 | Very low | 164 Ų | 164 | 137.2 Ų | 137.2 | 81% | 0.808 | 73% | 0.732 | S | S | * | * | | | trans | -48.1 | -179.5 | 166.9 | -56.1 | -78.4 | -73.6 | 0 | 0 | 114.9 | | |
| 991 | Y | 25.6 | Very low | 28.3 | Very low | 195 Ų | 195 | 136 Ų | 136 | 77% | 0.765 | 74% | 0.737 | S | S | * | * | | | trans | 81.6 | 128.1 | -173.1 | -68.7 | -103.8 | 0 | 0 | 0 | 111.9 | H993 | Y991-H993 AromaticContact CD1-ND1 3.65Š|
| 992 | E | 25.9 | Very low | 28.4 | Very low | 180 Ų | 180 | 138.1 Ų | 138.1 | 84% | 0.841 | 75% | 0.747 | S | S | * | * | | | cis | 57.9 | 130.3 | 5.6 | -142.4 | 174.1 | -124.7 | 0 | 0 | 115.1 | | |
| 993 | H | 26.1 | Very low | 28.4 | Very low | 151 Ų | 151 | 139.2 Ų | 139.2 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | | | trans | 75.4 | 120 | -138.2 | -51.9 | 67.3 | 0 | 0 | 0 | 109.1 | Y991 | Y991-H993 AromaticContact CD1-ND1 3.65Š|
| 994 | S | 26.3 | Very low | 28.4 | Very low | 101 Ų | 101 | 139 Ų | 139 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | | | cis | 71 | 127.4 | 38 | -46.4 | 0 | 0 | 0 | 0 | 113.1 | | |
| 995 | D | 27.3 | Very low | 28.6 | Very low | 149 Ų | 149 | 140.2 Ų | 140.2 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | | | trans | 65.7 | 113.1 | 163.8 | -51.2 | -41 | 0 | 0 | 0 | 119.6 | | |
| 996 | S | 30.6 | Very low | 28.6 | Very low | 121 Ų | 121 | 139.3 Ų | 139.3 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | | | trans | 48.5 | 137.3 | 138.5 | 64 | 0 | 0 | 0 | 0 | 122.5 | | |
| 997 | G | 30.8 | Very low | 28.8 | Very low | 66 Ų | 66 | 138 Ų | 138 | 68% | 0.68 | 77% | 0.766 | S | S | * | * | | | trans | 118.4 | 94.4 | 137.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 998 | D | 32.3 | Very low | 28.9 | Very low | 150 Ų | 150 | 136.6 Ų | 136.6 | 80% | 0.802 | 77% | 0.767 | S | S | * | * | | | | 53.2 | 122.3 | 124.9 | -59.1 | -29.6 | 0 | 0 | 0 | 123.8 | | |
| 999 | Y | 29 | Very low | 28.9 | Very low | 196 Ų | 196 | 135.7 Ų | 135.7 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | | | trans | 63.2 | 108.8 | 130.2 | -83.9 | -100 | 0 | 0 | 0 | 122.8 | | |
| 1000 | T | 33.2 | Very low | 29 | Very low | 131 Ų | 131 | 140.4 Ų | 140.4 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | | | trans | 57 | 125 | 131.9 | 58.8 | 0 | 0 | 0 | 0 | 121.2 | | |
| 1001 | G | 34.9 | Very low | 29.1 | Very low | 82 Ų | 82 | 137.9 Ų | 137.9 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | | | trans | -176.7 | 104.5 | 166 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 1002 | L | 30.7 | Very low | 29.3 | Very low | 159 Ų | 159 | 133.9 Ų | 133.9 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | | | trans | -63.6 | 132.1 | -175.2 | -71.6 | 163.7 | 0 | 0 | 0 | 116.5 | | |
| 1003 | Q | 29.5 | Very low | 29.5 | Very low | 165 Ų | 165 | 133.1 Ų | 133.1 | 77% | 0.771 | 76% | 0.759 | S | S | * | * | | | | 82.3 | 144.7 | 118.5 | -163.6 | 172.1 | -29.9 | 0 | 0 | 122.7 | | |
| 1004 | S | 30.3 | Very low | 29.7 | Very low | 91 Ų | 91 | 131.1 Ų | 131.1 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | | | trans | 82.2 | 118.5 | 158.8 | 21.5 | 0 | 0 | 0 | 0 | 122.5 | | |
| 1005 | D | 30.2 | Very low | 30.2 | Very low | 145 Ų | 145 | 134.7 Ų | 134.7 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | | | | 88.3 | 100.6 | 124.4 | -61.9 | 3.7 | 0 | 0 | 0 | 124.8 | | |
| 1006 | V | 28.5 | Very low | 30.4 | Very low | 123 Ų | 123 | 135.4 Ų | 135.4 | 75% | 0.745 | 75% | 0.754 | S | S | * | * | | | | 41.2 | 138.5 | 127.9 | -145.1 | 0 | 0 | 0 | 0 | 122 | | |
| 1007 | T | 30.4 | Very low | 30.6 | Very low | 123 Ų | 123 | 134.8 Ų | 134.8 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | | | trans | 108 | 147.4 | 153.7 | 69.4 | 0 | 0 | 0 | 0 | 118.2 | | |
| 1008 | S | 30.5 | Very low | 30.8 | Very low | 95 Ų | 95 | 138 Ų | 138 | 66% | 0.664 | 75% | 0.747 | S | S | * | * | | | trans | 31.8 | 109.6 | 161.2 | 40.1 | 0 | 0 | 0 | 0 | 119.4 | | |
| 1009 | L | 26.1 | Very low | 30.8 | Very low | 157 Ų | 157 | 137.1 Ų | 137.1 | 82% | 0.822 | 74% | 0.742 | S | S | * | * | | | | 79.5 | 134.7 | 76.9 | -86.6 | 171.4 | 0 | 0 | 0 | 115.5 | | |
| 1010 | Y | 26.3 | Very low | 31.1 | Very low | 205 Ų | 205 | 134 Ų | 134 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | | | trans | 75.8 | 142.2 | 165.2 | -87.7 | -81 | 0 | 0 | 0 | 120.6 | | |
| 1011 | C | 27.2 | Very low | 31 | Very low | 111 Ų | 111 | 138.3 Ų | 138.3 | 75% | 0.75 | 74% | 0.739 | S | S | * | * | | | trans | 71.1 | 151.5 | 153.7 | -71.3 | 0 | 0 | 0 | 0 | 120.1 | | |
| 1012 | V | 29.2 | Very low | 31 | Very low | 110 Ų | 110 | 141.2 Ų | 141.2 | 67% | 0.667 | 73% | 0.734 | S | S | * | * | | | cis | -165.4 | 141.9 | -33.1 | 100.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1013 | Q | 30.3 | Very low | 31 | Very low | 165 Ų | 165 | 143.2 Ų | 143.2 | 77% | 0.771 | 73% | 0.731 | S | S | * | * | | | trans | 61.1 | 171.7 | 165 | -65.7 | 171.8 | 2.8 | 0 | 0 | 116.1 | | |
| 1014 | N | 31.1 | Very low | 31.1 | Very low | 109 Ų | 109 | 142.7 Ų | 142.7 | 58% | 0.583 | 73% | 0.728 | S | S | * | * | | | cis | -156.3 | 139.7 | 6.7 | -125.1 | -32.8 | 0 | 0 | 0 | 110.3 | | |
| 1015 | K | 34.9 | Very low | 31 | Very low | 175 Ų | 175 | 143.1 Ų | 143.1 | 76% | 0.761 | 73% | 0.732 | S | S | * | * | | | trans | 55.8 | 161.6 | 147 | -60.9 | 173.6 | -174.8 | -178.5 | 0 | 118.8 | | |
| 1016 | H | 31.6 | Very low | 31 | Very low | 164 Ų | 164 | 147.5 Ų | 147.5 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | | | cis | -160.5 | 175.3 | 10.8 | -149.6 | -131.3 | 0 | 0 | 0 | 111.6 | | |
| 1017 | V | 36.1 | Very low | 31.2 | Very low | 108 Ų | 108 | 146.7 Ų | 146.7 | 66% | 0.655 | 73% | 0.734 | S | S | * | * | | | trans | 74.4 | 114.9 | 161.4 | -175.6 | 0 | 0 | 0 | 0 | 120.3 | | |
| 1018 | N | 34.2 | Very low | 31.1 | Very low | 135 Ų | 135 | 148.1 Ų | 148.1 | 72% | 0.722 | 74% | 0.736 | S | S | * | * | | | | 31.2 | 151.5 | 127.9 | -46.1 | 16.5 | 0 | 0 | 0 | 121.5 | | |
| 1019 | D | 33.7 | Very low | 30.9 | Very low | 130 Ų | 130 | 148.3 Ų | 148.3 | 70% | 0.695 | 74% | 0.737 | S | S | * | * | | | cis | -161.2 | 175.7 | 7 | -135.6 | -40.6 | 0 | 0 | 0 | 115 | | |
| 1020 | I | 33.5 | Very low | 30.9 | Very low | 131 Ų | 131 | 147.8 Ų | 147.8 | 67% | 0.672 | 73% | 0.732 | S | S | * | * | | | trans | 73.1 | 116.8 | 149.6 | -71.9 | 164.2 | 0 | 0 | 0 | 120.6 | | |
| 1021 | R | 31.5 | Very low | 30.9 | Very low | 221 Ų | 221 | 145.2 Ų | 145.2 | 83% | 0.834 | 73% | 0.727 | S | S | * | * | | | trans | 79.3 | 103.6 | 151 | -76.1 | 168.2 | -168.8 | -156.6 | 1.1 | 122.5 | | |
| 1022 | L | 34.6 | Very low | 30.9 | Very low | 143 Ų | 143 | 144.3 Ų | 144.3 | 75% | 0.749 | 72% | 0.719 | S | S | * | * | | | trans | 65.5 | 88.7 | 130.1 | -60.6 | 171.2 | 0 | 0 | 0 | 117.5 | | |
| 1023 | R | 31.8 | Very low | 30.7 | Very low | 201 Ų | 201 | 145.7 Ų | 145.7 | 76% | 0.758 | 72% | 0.722 | S | S | * | * | | | | 68.8 | 130.1 | 78.7 | -71.6 | -171.5 | 179.5 | -119.7 | 10.8 | 114.3 | | |
| 1024 | Q | 30.9 | Very low | 30.6 | Very low | 154 Ų | 154 | 149.1 Ų | 149.1 | 72% | 0.72 | 73% | 0.73 | S | S | * | * | | | cis | -157.9 | 155.9 | -6.6 | -133.9 | 160.2 | -19.8 | 0 | 0 | 110.2 | | |
| 1025 | S | 28.3 | Very low | 30.4 | Very low | 101 Ų | 101 | 147.7 Ų | 147.7 | 71% | 0.706 | 73% | 0.728 | S | S | * | * | | | trans | -151.2 | 161.8 | 178.7 | 80.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1026 | R | 30.4 | Very low | 30.2 | Very low | 237 Ų | 237 | 147.9 Ų | 147.9 | 89% | 0.894 | 73% | 0.732 | S | S | * | * | | | trans | 74.5 | 162.4 | 159.1 | -73.8 | -173.9 | 172.4 | -158.6 | -0.7 | 118.6 | | |
| 1027 | P | 32.3 | Very low | 30.1 | Very low | 105 Ų | 105 | 149 Ų | 149 | 68% | 0.682 | 73% | 0.731 | S | S | * | * | | | trans | -135.1 | -166.8 | -149.4 | 43.1 | -24.4 | 0 | 0 | 0 | 115.3 | | |
| 1028 | I | 28.3 | Very low | 29.7 | Very low | 154 Ų | 154 | 150 Ų | 150 | 79% | 0.79 | 73% | 0.732 | S | S | * | * | | | trans | 81.7 | 99.1 | 160.4 | -63.6 | 166.5 | 0 | 0 | 0 | 117 | | |
| 1029 | S | 26.6 | Very low | 29.5 | Very low | 98 Ų | 98 | 149 Ų | 149 | 69% | 0.685 | 73% | 0.727 | S | S | * | * | | | trans | 77.7 | 157.8 | 131 | -146.8 | 0 | 0 | 0 | 0 | 122.1 | | |
| 1030 | M | 27.1 | Very low | 29.4 | Very low | 146 Ų | 146 | 148.5 Ų | 148.5 | 72% | 0.719 | 72% | 0.724 | S | S | * | * | | | trans | 79.8 | 99 | 162.8 | -51.7 | -46.1 | -61.3 | 0 | 0 | 120.1 | | |
| 1031 | H | 26 | Very low | 29.3 | Very low | 151 Ų | 151 | 148.8 Ų | 148.8 | 70% | 0.699 | 73% | 0.727 | S | S | * | * | | | | 94.3 | 125.4 | 118.4 | -134 | -55.2 | 0 | 0 | 0 | 120.7 | | |
| 1032 | T | 27.4 | Very low | 29.3 | Very low | 93 Ų | 93 | 144.4 Ų | 144.4 | 57% | 0.571 | 72% | 0.72 | S | S | * | * | | | trans | 51.8 | 108.6 | 157.4 | 34.6 | 0 | 0 | 0 | 0 | 120.1 | | |
| 1033 | D | 24.8 | Very low | 29 | Very low | 139 Ų | 139 | 141.2 Ų | 141.2 | 74% | 0.743 | 71% | 0.71 | S | S | * | * | | | | 34.7 | 116.3 | 101.4 | -37.7 | -37.5 | 0 | 0 | 0 | 117.6 | | |
| 1034 | Y | 28.7 | Very low | 29 | Very low | 237 Ų | 237 | 141 Ų | 141 | 93% | 0.929 | 72% | 0.715 | S | S | * | * | | | | -144.7 | 142.1 | 122.9 | -114 | -76.9 | 0 | 0 | 0 | 110.8 | | |
| 1035 | S | 26.7 | Very low | 28.9 | Very low | 79 Ų | 79 | 142.6 Ų | 142.6 | 55% | 0.552 | 72% | 0.72 | S | S | * | * | | | trans | -75.2 | 147.4 | -169.4 | 55.1 | 0 | 0 | 0 | 0 | 115.4 | | |
| 1036 | Q | 30 | Very low | 29 | Very low | 178 Ų | 178 | 145.9 Ų | 145.9 | 83% | 0.832 | 73% | 0.728 | S | S | * | * | | | | -151.5 | 119.5 | 122.5 | -101.6 | 152.1 | 18.9 | 0 | 0 | 107.6 | | |
| 1037 | Y | 28.4 | Very low | 29 | Very low | 189 Ų | 189 | 139.8 Ų | 139.8 | 74% | 0.741 | 72% | 0.72 | S | S | * | * | | | | 54.1 | 126.7 | 92.1 | -67.9 | -69.9 | 0 | 0 | 0 | 111.3 | | |
| 1038 | N | 29.7 | Very low | 28.6 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 68% | 0.679 | 72% | 0.721 | S | S | * | * | | | cis | -165.3 | 168.2 | 24.7 | -125.6 | -11.2 | 0 | 0 | 0 | 108.9 | | |
| 1039 | N | 29.7 | Very low | 28.6 | Very low | 114 Ų | 114 | 139.4 Ų | 139.4 | 61% | 0.61 | 72% | 0.721 | S | S | * | * | | | cis | -162.6 | 173.2 | -0.2 | -151.4 | -8 | 0 | 0 | 0 | 112 | | |
| 1040 | N | 30.1 | Very low | 28.9 | Very low | 120 Ų | 120 | 140.1 Ų | 140.1 | 64% | 0.642 | 72% | 0.721 | S | S | * | * | | | trans | 76.8 | 134.2 | 151.1 | -67.3 | -18.8 | 0 | 0 | 0 | 122.9 | | |
| 1041 | N | 31.7 | Very low | 29 | Very low | 137 Ų | 137 | 141.3 Ų | 141.3 | 73% | 0.733 | 72% | 0.724 | S | S | * | * | | | trans | 66.8 | 120.7 | 159 | -55.3 | -8.7 | 0 | 0 | 0 | 118.5 | | |
| 1042 | N | 32.5 | Very low | 29.3 | Very low | 130 Ų | 130 | 142.7 Ų | 142.7 | 70% | 0.695 | 73% | 0.729 | S | S | * | * | | | cis | -155.1 | 132.2 | -18 | -102.1 | -29.1 | 0 | 0 | 0 | 105.2 | | |
| 1043 | S | 28.6 | Very low | 29.4 | Very low | 76 Ų | 76 | 144.6 Ų | 144.6 | 53% | 0.531 | 74% | 0.736 | S | S | . | * | | | | 54.4 | 130.2 | 77.4 | 87.5 | 0 | 0 | 0 | 0 | 112.6 | | |
| 1044 | F | 30.7 | Very low | 29.7 | Very low | 195 Ų | 195 | 143.3 Ų | 143.3 | 86% | 0.855 | 73% | 0.733 | S | S | * | * | | | cis | -137.9 | 163.6 | 22 | -93.1 | -88.8 | 0 | 0 | 0 | 115.1 | | |
| 1045 | F | 28.6 | Very low | 29.7 | Very low | 189 Ų | 189 | 137.8 Ų | 137.8 | 83% | 0.829 | 72% | 0.724 | S | S | * | * | | | trans | -61.6 | 157.6 | 156 | -78.8 | -116.4 | 0 | 0 | 0 | 111.3 | | |
| 1046 | L | 30.8 | Very low | 30 | Very low | 169 Ų | 169 | 141.5 Ų | 141.5 | 89% | 0.885 | 74% | 0.736 | S | S | * | * | | | | -170.1 | 146.6 | 118.3 | -97.5 | 163.8 | 0 | 0 | 0 | 110 | | |
| 1047 | P | 29.5 | Very low | 30.1 | Very low | 110 Ų | 110 | 139.9 Ų | 139.9 | 71% | 0.714 | 73% | 0.733 | S | S | * | * | | | trans | -95.9 | -177.3 | -176.9 | 38.9 | -34.6 | 0 | 0 | 0 | 113.3 | | |
| 1048 | S | 24.7 | Very low | 30.4 | Very low | 102 Ų | 102 | 135.4 Ų | 135.4 | 71% | 0.713 | 73% | 0.729 | S | S | * | * | | | trans | -59.1 | 153 | 178 | 55.6 | 0 | 0 | 0 | 0 | 116.5 | | |
| 1049 | L | 28 | Very low | 30.6 | Very low | 148 Ų | 148 | 136.1 Ų | 136.1 | 78% | 0.775 | 73% | 0.733 | S | S | * | * | | | trans | 130.4 | 152.2 | 142.9 | -112.3 | 69.3 | 0 | 0 | 0 | 115.7 | | |
| 1050 | T | 32.8 | Very low | 30.8 | Very low | 113 Ų | 113 | 136.1 Ų | 136.1 | 69% | 0.693 | 74% | 0.737 | S | S | * | * | | | trans | 60.3 | 115.7 | 165.3 | 46.7 | 0 | 0 | 0 | 0 | 117.2 | | |
| 1051 | H | 29.3 | Very low | 30.9 | Very low | 171 Ų | 171 | 135.8 Ų | 135.8 | 79% | 0.792 | 74% | 0.74 | S | S | * | * | | | | 90.2 | 158.6 | 61.8 | -80.8 | 5.3 | 0 | 0 | 0 | 113.7 | | |
| 1052 | F | 32.1 | Very low | 31 | Very low | 181 Ų | 181 | 134.3 Ų | 134.3 | 79% | 0.794 | 74% | 0.736 | S | S | * | * | | | trans | 74.6 | 118.3 | -166.8 | -59.8 | -82.1 | 0 | 0 | 0 | 112 | | |
| 1053 | N | 29.8 | Very low | 31.3 | Very low | 133 Ų | 133 | 135.8 Ų | 135.8 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | | | | 69.4 | 133.9 | 71.4 | -67.5 | 4 | 0 | 0 | 0 | 110.6 | | |
| 1054 | T | 31.1 | Very low | 31.5 | Very low | 112 Ų | 112 | 136.2 Ų | 136.2 | 69% | 0.687 | 74% | 0.741 | S | S | * | * | | | cis | -158.5 | 132.7 | 17.1 | 13 | 0 | 0 | 0 | 0 | 107.8 | | |
| 1055 | T | 28.6 | Very low | 31.5 | Very low | 121 Ų | 121 | 131.1 Ų | 131.1 | 74% | 0.742 | 73% | 0.729 | S | S | * | * | | | | 80.1 | 165.5 | 101.4 | -49.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1056 | I | 33.7 | Very low | 31.7 | Very low | 157 Ų | 157 | 124 Ų | 124 | 81% | 0.805 | 70% | 0.702 | S | S | * | * | | | trans | 77.3 | 91.3 | -176.1 | -47.7 | 174.9 | 0 | 0 | 0 | 111.6 | | |
| 1057 | N | 31.7 | Very low | 31.9 | Very low | 143 Ų | 143 | 121.3 Ų | 121.3 | 77% | 0.765 | 69% | 0.688 | S | S | * | * | | | cis | 74.4 | 100.7 | 37.8 | -171.5 | 56.6 | 0 | 0 | 0 | 115.4 | | |
| 1058 | S | 33.5 | Very low | 31.9 | Very low | 95 Ų | 95 | 120.2 Ų | 120.2 | 66% | 0.664 | 69% | 0.689 | S | S | * | * | | | trans | -167 | 118.8 | 144.6 | 45.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 1059 | N | 33.9 | Very low | 32.2 | Very low | 142 Ų | 142 | 119.7 Ų | 119.7 | 76% | 0.759 | 69% | 0.685 | S | S | * | * | | | trans | 64.3 | 152.8 | 141.7 | -52.9 | -11.5 | 0 | 0 | 0 | 117.9 | | |
| 1060 | T | 34.9 | Very low | 32.3 | Very low | 114 Ų | 114 | 117.4 Ų | 117.4 | 70% | 0.699 | 68% | 0.681 | S | S | * | * | | | cis | -150.8 | 125.5 | 2.4 | -1.7 | 0 | 0 | 0 | 0 | 106.1 | | |
| 1061 | V | 32.3 | Very low | 32 | Very low | 114 Ų | 114 | 117.5 Ų | 117.5 | 69% | 0.691 | 69% | 0.687 | S | S | * | * | | | | 76.9 | 111 | 97.5 | 168.5 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1062 | T | 33.7 | Very low | 32 | Very low | 105 Ų | 105 | 114.4 Ų | 114.4 | 64% | 0.644 | 68% | 0.684 | S | S | * | * | | | trans | 63.3 | 163.1 | 156.7 | 56.8 | 0 | 0 | 0 | 0 | 118.6 | | |
| 1063 | H | 39.4 | Very low | 31.8 | Very low | 162 Ų | 162 | 110.7 Ų | 110.7 | 75% | 0.75 | 68% | 0.68 | S | S | * | * | | | cis | -119 | 136.1 | -6.8 | -92.8 | -59.7 | 0 | 0 | 0 | 108.9 | | |
| 1064 | S | 31.7 | Very low | 31.6 | Very low | 85 Ų | 85 | 111.4 Ų | 111.4 | 59% | 0.594 | 68% | 0.683 | S | S | * | * | | | | 74.4 | 76.9 | 75.4 | -51.3 | 0 | 0 | 0 | 0 | 115.9 | | |
| 1065 | S | 31.5 | Very low | 31.4 | Very low | 87 Ų | 87 | 111 Ų | 111 | 61% | 0.608 | 68% | 0.684 | S | S | * | * | | | | 75.8 | -168.9 | 129.6 | -50.7 | 0 | 0 | 0 | 0 | 115.5 | N210 | N210-S1065 PolarHBondContact ND2-O 2.95Š|
| 1066 | P | 32.4 | Very low | 31.3 | Very low | 39 Ų | 39 | 109.8 Ų | 109.8 | 25% | 0.253 | 68% | 0.681 | S | S | . | * | | | cis | -135.2 | 172 | -7.2 | 41.5 | -23.9 | 0 | 0 | 0 | 118 | N210 Q211 | N210-P1066 WeakPolarHBondContact CB-O 3.39Å; N210-P1066 WeakPolarHBondContact O-CD 3.26Å; Q211-P1066 HydrophobicContact CG-CG 3.67Å |
| 1067 | L | 34.2 | Very low | 31.1 | Very low | 113 Ų | 113 | 109.4 Ų | 109.4 | 59% | 0.592 | 68% | 0.68 | S | S | * | * | | | trans | 57.5 | 90.6 | 160.3 | -91.1 | 74.3 | 0 | 0 | 0 | 119.2 | I212 | I212-L1067 HydrophobicContact CD1-CB 3.97Å; I212-L1067 HydrophobicContact CD1-CD2 3.56Å; I212-L1067 HydrophobicContact CD1-CG 4.36Å; I212-L1067 HydrophobicContact CG1-CB 3.69Å; I212-L1067 HydrophobicContact CG1-CD2 3.91Å; I212-L1067 HydrophobicContact CG1-CG 4.44Å |
| 1068 | A | 30.3 | Very low | 31 | Very low | 88 Ų | 88 | 109.6 Ų | 109.6 | 73% | 0.727 | 68% | 0.676 | S | S | * | * | | | | -132.7 | 93.8 | 110.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 1069 | S | 31.4 | Very low | 30.9 | Very low | 90 Ų | 90 | 111.8 Ų | 111.8 | 63% | 0.629 | 68% | 0.676 | S | S | * | * | | | | 54.2 | 88.7 | 110 | 65.5 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1070 | S | 29.7 | Very low | 30.8 | Very low | 101 Ų | 101 | 112.2 Ų | 112.2 | 71% | 0.706 | 67% | 0.673 | S | S | * | * | | | | 83.4 | 120.5 | 95 | 64.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1071 | S | 27.1 | Very low | 30.6 | Very low | 115 Ų | 115 | 114.1 Ų | 114.1 | 80% | 0.804 | 67% | 0.674 | S | S | * | * | | | cis | 81.4 | 67.4 | 42.8 | 84.9 | 0 | 0 | 0 | 0 | 115.7 | | |
| 1072 | S | 29 | Very low | 30.5 | Very low | 106 Ų | 106 | 117.3 Ų | 117.3 | 74% | 0.741 | 68% | 0.682 | S | S | * | * | | | trans | -158.4 | 137.8 | 151.5 | 50.5 | 0 | 0 | 0 | 0 | 108.1 | | |
| 1073 | S | 27.1 | Very low | 30.2 | Very low | 102 Ų | 102 | 121.2 Ų | 121.2 | 71% | 0.713 | 69% | 0.692 | S | S | * | * | | | cis | 76.6 | 121.7 | 38.5 | -56.2 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1074 | I | 26.2 | Very low | 29.7 | Very low | 149 Ų | 149 | 120.1 Ų | 120.1 | 76% | 0.764 | 70% | 0.697 | S | S | * | * | | | trans | 73.7 | 101.9 | 150.7 | -55.1 | 155.6 | 0 | 0 | 0 | 118.1 | | |
| 1075 | S | 26.4 | Very low | 29.5 | Very low | 102 Ų | 102 | 122 Ų | 122 | 71% | 0.713 | 71% | 0.707 | S | S | * | * | | | trans | 67.7 | -178.4 | 141.7 | 85.1 | 0 | 0 | 0 | 0 | 120.1 | | |
| 1076 | S | 28.2 | Very low | 29.4 | Very low | 97 Ų | 97 | 127.9 Ų | 127.9 | 68% | 0.678 | 72% | 0.722 | S | S | * | * | | | trans | 69 | 116.7 | 161.5 | 69.8 | 0 | 0 | 0 | 0 | 116.2 | | |
| 1077 | L | 28.7 | Very low | 29.1 | Very low | 148 Ų | 148 | 134 Ų | 134 | 78% | 0.775 | 74% | 0.74 | S | S | * | * | | | | 71.3 | 107.7 | 88.8 | -91.8 | 76 | 0 | 0 | 0 | 115.3 | | |
| 1078 | Q | 29.8 | Very low | 28.7 | Very low | 148 Ų | 148 | 132.2 Ų | 132.2 | 69% | 0.692 | 74% | 0.735 | S | S | * | * | | | | 82.7 | 133.7 | 113.6 | -166 | 166 | 42.8 | 0 | 0 | 120.8 | | |
| 1079 | Q | 31.6 | Very low | 28.6 | Very low | 141 Ų | 141 | 134.1 Ų | 134.1 | 66% | 0.659 | 74% | 0.743 | S | S | * | * | | | trans | 72.1 | 117.4 | 163 | -75.3 | 163 | 22.4 | 0 | 0 | 117.3 | | |
| 1080 | Q | 31.3 | Very low | 28.3 | Very low | 151 Ų | 151 | 134.5 Ų | 134.5 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | | | | 81.4 | 140.5 | 94.7 | -69.9 | -174.9 | 13 | 0 | 0 | 112.9 | | |
| 1081 | Q | 29.8 | Very low | 28.1 | Very low | 153 Ų | 153 | 135 Ų | 135 | 72% | 0.715 | 74% | 0.74 | S | S | * | * | | | cis | -156.9 | -170.5 | 0.6 | -125.4 | -177.8 | 79.2 | 0 | 0 | 111 | | |
| 1082 | Q | 31.3 | Very low | 28 | Very low | 182 Ų | 182 | 134.5 Ų | 134.5 | 85% | 0.85 | 74% | 0.737 | S | S | * | * | | | trans | 80.3 | 161.2 | 172.2 | -52.1 | -171.6 | 2.2 | 0 | 0 | 117.1 | | |
| 1083 | Q | 27.3 | Very low | 27.7 | Very low | 186 Ų | 186 | 136 Ų | 136 | 87% | 0.869 | 74% | 0.736 | S | S | * | * | | | trans | -138.7 | 143.9 | -144.4 | -60.4 | 170.8 | -4.3 | 0 | 0 | 113.8 | | |
| 1084 | T | 28.8 | Very low | 27.8 | Very low | 139 Ų | 139 | 134.8 Ų | 134.8 | 85% | 0.853 | 73% | 0.732 | S | S | * | * | | | trans | -165.7 | 156.3 | 158.3 | 9.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1085 | P | 27.5 | Very low | 27.9 | Very low | 124 Ų | 124 | 132.3 Ų | 132.3 | 81% | 0.805 | 73% | 0.728 | S | S | * | * | | | trans | -88.5 | 123.8 | -158 | 32.3 | -34.5 | 0 | 0 | 0 | 115.3 | | |
| 1086 | K | 28.2 | Very low | 27.9 | Very low | 212 Ų | 212 | 131.7 Ų | 131.7 | 92% | 0.922 | 72% | 0.723 | S | S | * | * | | | trans | -91 | 112.2 | 159.4 | -74.7 | -180 | 177 | 175.1 | 0 | 109.8 | | |
| 1087 | R | 27.4 | Very low | 27.7 | Very low | 168 Ų | 168 | 136.1 Ų | 136.1 | 63% | 0.634 | 73% | 0.731 | S | S | * | * | | | trans | -94.5 | 133.9 | 174.1 | -158.1 | 170.5 | -172.2 | 167.1 | -1.7 | 110.3 | Y244 D245 | Y244-R1087 PolarHBondContact O-NH1 3.38Å; D245-R1087 IonicContact OD1-NH1 3.06Å; D245-R1087 PolarHBondContact OD1-NH1 2.89Å |
| 1088 | P | 26.5 | Very low | 27.8 | Very low | 74 Ų | 74 | 134.4 Ų | 134.4 | 48% | 0.481 | 73% | 0.726 | S | S | . | * | | | trans | -98.2 | 124.3 | -159.8 | 34.2 | -32.6 | 0 | 0 | 0 | 114.3 | S1090 L1091 | P1088-S1090 PolarHBondContact O-N 3.24Å; P1088-L1091 HydrophobicContact CB-CD1 4.35Å; P1088-L1091 HydrophobicContact CB-CG 4Å; P1088-L1091 HydrophobicContact CG-CD1 3.49Å; P1088-L1091 VanDerWaalsContact CG-CD1 3.49Å; P1088-L1091 HydrophobicContact CG-CG 3.67Å |
| 1089 | S | 26.8 | Very low | 27.8 | Very low | 129 Ų | 129 | 133.7 Ų | 133.7 | 90% | 0.902 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -83.2 | 22.6 | 162.6 | 47.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 1090 | S | 25.2 | Very low | 27.6 | Very low | 98 Ų | 98 | 132.7 Ų | 132.7 | 69% | 0.685 | 73% | 0.731 | S | S | * | * | | | trans | -160.2 | 95.6 | 170.5 | 40 | 0 | 0 | 0 | 0 | 111.8 | P1088 | P1088-S1090 PolarHBondContact O-N 3.24Š|
| 1091 | L | 25.6 | Very low | 27.5 | Very low | 110 Ų | 110 | 131.6 Ų | 131.6 | 58% | 0.576 | 73% | 0.728 | S | S | * | * | | | trans | -133 | 133.3 | 159.6 | -73.4 | 179.4 | 0 | 0 | 0 | 107.1 | P1088 L1093 | P1088-L1091 HydrophobicContact CB-CD1 4.35Å; P1088-L1091 HydrophobicContact CB-CG 4Å; P1088-L1091 HydrophobicContact CG-CD1 3.49Å; P1088-L1091 VanDerWaalsContact CG-CD1 3.49Å; P1088-L1091 HydrophobicContact CG-CG 3.67Å; L1091-L1093 HydrophobicContact CB-CG 4.2Å; L1091-L1093 HydrophobicContact CD1-CD1 4.22Å; L1091-L1093 HydrophobicContact CD1-CG 4.05Å |
| 1092 | S | 24.8 | Very low | 27.5 | Very low | 106 Ų | 106 | 127.8 Ų | 127.8 | 74% | 0.741 | 72% | 0.717 | S | S | * | * | | | cis | 61.5 | 36.5 | 19.1 | -160.4 | 0 | 0 | 0 | 0 | 115.1 | A1094 | S1092-A1094 PolarHBondContact O-N 2.86Å; S1092-A1094 VanDerWaalsContact O-N 3.14Å |
| 1093 | L | 24.3 | Very low | 27.6 | Very low | 137 Ų | 137 | 126.5 Ų | 126.5 | 72% | 0.717 | 71% | 0.709 | S | S | * | * | | | trans | -83.5 | 60.9 | 160.6 | -87.1 | 159.7 | 0 | 0 | 0 | 110.8 | L1091 | L1091-L1093 HydrophobicContact CB-CG 4.2Å; L1091-L1093 HydrophobicContact CD1-CD1 4.22Å; L1091-L1093 HydrophobicContact CD1-CG 4.05Å |
| 1094 | A | 27.2 | Very low | 27.8 | Very low | 76 Ų | 76 | 123.6 Ų | 123.6 | 63% | 0.628 | 70% | 0.698 | S | S | * | * | | | trans | -81.7 | 141 | 150.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | S1092 | S1092-A1094 PolarHBondContact O-N 2.86Å; S1092-A1094 VanDerWaalsContact O-N 3.14Å |
| 1095 | S | 28.7 | Very low | 28 | Very low | 97 Ų | 97 | 123.3 Ų | 123.3 | 68% | 0.678 | 69% | 0.691 | S | S | * | * | S | Bend | trans | 70 | 155.2 | -173.4 | 81.9 | 0 | 0 | 0 | 0 | 117 | | |
| 1096 | S | 26.1 | Very low | 28.3 | Very low | 89 Ų | 89 | 121.2 Ų | 121.2 | 62% | 0.622 | 67% | 0.673 | S | S | * | * | | | trans | 76.4 | 34 | 159.1 | -52 | 0 | 0 | 0 | 0 | 120 | T1098 | S1096-T1098 VanDerWaalsContact C-N 3.27Š|
| 1097 | F | 25.6 | Very low | 28.5 | Very low | 191 Ų | 191 | 115.4 Ų | 115.4 | 84% | 0.838 | 65% | 0.652 | S | S | * | * | | | trans | -100.9 | 42.3 | 134.9 | -95.5 | -72.2 | 0 | 0 | 0 | 110.6 | | |
| 1098 | T | 31 | Very low | 28.9 | Very low | 111 Ų | 111 | 114 Ų | 114 | 68% | 0.681 | 66% | 0.656 | S | S | * | * | | | trans | -113.2 | 47.8 | 179.2 | 49.1 | 0 | 0 | 0 | 0 | 110.8 | S1096 | S1096-T1098 VanDerWaalsContact C-N 3.27Š|
| 1099 | N | 28 | Very low | 29.3 | Very low | 133 Ų | 133 | 117.9 Ų | 117.9 | 71% | 0.711 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -169.8 | 141.4 | 161.5 | -92.5 | -34.1 | 0 | 0 | 0 | 107.1 | | |
| 1100 | V | 28.1 | Very low | 29.6 | Very low | 120 Ų | 120 | 116.1 Ų | 116.1 | 73% | 0.727 | 65% | 0.649 | S | S | * | * | S | Bend | trans | 51.3 | 78.7 | -166.5 | -164.5 | 0 | 0 | 0 | 0 | 111.6 | P1102 | V1100-P1102 VanDerWaalsContact CA-CD 3.49Š|
| 1101 | I | 29.7 | Very low | 29.9 | Very low | 129 Ų | 129 | 117.8 Ų | 117.8 | 66% | 0.662 | 65% | 0.65 | S | S | * | * | | | | -135 | 86.8 | 50.5 | -54 | 179.3 | 0 | 0 | 0 | 112 | K1103 | I1101-K1103 HydrophobicContact CG2-CB 3.54Å; I1101-K1103 PolarHBondContact O-N 2.82Å |
| 1102 | P | 30 | Very low | 30.2 | Very low | 73 Ų | 73 | 119.6 Ų | 119.6 | 47% | 0.474 | 65% | 0.654 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.5 | 55 | 163.4 | 34.4 | -36.8 | 0 | 0 | 0 | 110.1 | V1100 N1106 | V1100-P1102 VanDerWaalsContact CA-CD 3.49Å; P1102-N1106 WeakPolarHBondContact O-CB 3.36Å; P1102-N1106 PolarHBondContact O-ND2 2.92Å |
| 1103 | K | 32.3 | Very low | 30.5 | Very low | 155 Ų | 155 | 122 Ų | 122 | 67% | 0.674 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.9 | 8.9 | -170.7 | -108.7 | -176.9 | -179.4 | -175.9 | 0 | 114.4 | I1101 | I1101-K1103 HydrophobicContact CG2-CB 3.54Å; I1101-K1103 PolarHBondContact O-N 2.82Å |
| 1104 | L | 32.5 | Very low | 30.7 | Very low | 124 Ų | 124 | 122.7 Ų | 122.7 | 65% | 0.649 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -117.7 | -56.4 | 169.1 | -137 | 72.9 | 0 | 0 | 0 | 111.5 | N1106 L1107 I1108 | L1104-N1106 PolarHBondContact O-N 3.05Å; L1104-L1107 WeakPolarHBondContact O-CA 3.48Å; L1104-L1107 WeakPolarHBondContact O-CB 3.4Å; L1104-L1107 PolarHBondContact O-N 3.41Å; L1104-I1108 PolarHBondContact O-N 3.4Å; L1104-I1108 VanDerWaalsContact O-N 3.09Å |
| 1105 | D | 33.3 | Very low | 30.8 | Very low | 133 Ų | 133 | 125.7 Ų | 125.7 | 71% | 0.711 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | -23.5 | 170.5 | -68.7 | -40.8 | 0 | 0 | 0 | 112.9 | | |
| 1106 | N | 33.7 | Very low | 30.7 | Very low | 80 Ų | 80 | 126.7 Ų | 126.7 | 43% | 0.428 | 65% | 0.653 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.2 | -36.9 | 165.6 | -86.7 | -16.3 | 0 | 0 | 0 | 111.9 | P1102 L1104 I1108 K1109 T1110 | P1102-N1106 WeakPolarHBondContact O-CB 3.36Å; P1102-N1106 PolarHBondContact O-ND2 2.92Å; L1104-N1106 PolarHBondContact O-N 3.05Å; N1106-I1108 VanDerWaalsContact C-N 3.3Å; N1106-I1108 PolarHBondContact O-N 3.45Å; N1106-K1109 CarbonylContact O-C 3.39Å; N1106-K1109 WeakPolarHBondContact O-CA 3.38Å; N1106-K1109 PolarHBondContact O-N 3.13Å; N1106-T1110 WeakPolarHBondContact O-CB 3.27Å; N1106-T1110 WeakPolarHBondContact O-CG2 3.29Å; N1106-T1110 PolarHBondContact O-N 3.37Å; N1106-T1110 PolarHBondContact O-OG1 2.99Å |
| 1107 | L | 32.4 | Very low | 30.9 | Very low | 91 Ų | 91 | 130.4 Ų | 130.4 | 48% | 0.476 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -63 | -39.1 | 179.6 | -129.1 | 72.6 | 0 | 0 | 0 | 111.8 | L1104 K1109 T1110 N1111 | L1104-L1107 WeakPolarHBondContact O-CA 3.48Å; L1104-L1107 WeakPolarHBondContact O-CB 3.4Å; L1104-L1107 PolarHBondContact O-N 3.41Å; L1107-K1109 PolarHBondContact O-N 3.36Å; L1107-T1110 WeakPolarHBondContact CA-OG1 3.44Å; L1107-T1110 PolarHBondContact O-N 3.49Å; L1107-N1111 PolarHBondContact O-N 3.23Å; L1107-N1111 VanDerWaalsContact O-N 3.08Å |
| 1108 | I | 35.4 | Very low | 30.9 | Very low | 138 Ų | 138 | 129 Ų | 129 | 71% | 0.708 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -68 | -19.8 | 174.2 | -62.2 | 173 | 0 | 0 | 0 | 111.9 | L1104 N1106 | L1104-I1108 PolarHBondContact O-N 3.4Å; L1104-I1108 VanDerWaalsContact O-N 3.09Å; N1106-I1108 VanDerWaalsContact C-N 3.3Å; N1106-I1108 PolarHBondContact O-N 3.45Å |
| 1109 | K | 34 | Very low | 30.8 | Very low | 155 Ų | 155 | 129 Ų | 129 | 67% | 0.674 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -100.4 | -19 | 174.7 | -74.4 | -178.6 | 175.3 | 178.2 | 0 | 114.9 | N1106 L1107 | N1106-K1109 CarbonylContact O-C 3.39Å; N1106-K1109 WeakPolarHBondContact O-CA 3.38Å; N1106-K1109 PolarHBondContact O-N 3.13Å; L1107-K1109 PolarHBondContact O-N 3.36Å |
| 1110 | T | 33.4 | Very low | 30.8 | Very low | 92 Ų | 92 | 127.8 Ų | 127.8 | 56% | 0.564 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -96.1 | -8.5 | 177.2 | 59 | 0 | 0 | 0 | 0 | 113.3 | N1106 L1107 K1112 | N1106-T1110 WeakPolarHBondContact O-CB 3.27Å; N1106-T1110 WeakPolarHBondContact O-CG2 3.29Å; N1106-T1110 PolarHBondContact O-N 3.37Å; N1106-T1110 PolarHBondContact O-OG1 2.99Å; L1107-T1110 WeakPolarHBondContact CA-OG1 3.44Å; L1107-T1110 PolarHBondContact O-N 3.49Å; T1110-K1112 PolarHBondContact O-N 3.33Å |
| 1111 | N | 31 | Very low | 30.9 | Very low | 133 Ų | 133 | 131.4 Ų | 131.4 | 71% | 0.711 | 68% | 0.679 | S | S | * | * | | | trans | -70.1 | 24 | 158.7 | -76.9 | 6.4 | 0 | 0 | 0 | 112.8 | L1107 L1113 | L1107-N1111 PolarHBondContact O-N 3.23Å; L1107-N1111 VanDerWaalsContact O-N 3.08Å; N1111-L1113 PolarHBondContact O-N 2.86Å |
| 1112 | K | 32.9 | Very low | 30.8 | Very low | 149 Ų | 149 | 130.1 Ų | 130.1 | 65% | 0.648 | 68% | 0.682 | S | S | * | * | | | trans | -73.6 | 66.1 | 159.1 | -81.6 | -172.4 | 171.7 | -172.5 | 0 | 110.7 | T1110 R1114 | T1110-K1112 PolarHBondContact O-N 3.33Å; K1112-R1114 HydrophobicContact CB-CB 4.36Å |
| 1113 | L | 30.7 | Very low | 30.8 | Very low | 156 Ų | 156 | 134.2 Ų | 134.2 | 82% | 0.817 | 70% | 0.698 | S | S | * | * | | | trans | -112.5 | 61.4 | 149.5 | -69.6 | 171.2 | 0 | 0 | 0 | 106.3 | N1111 | N1111-L1113 PolarHBondContact O-N 2.86Š|
| 1114 | R | 28.5 | Very low | 30.6 | Very low | 152 Ų | 152 | 131.3 Ų | 131.3 | 57% | 0.574 | 70% | 0.697 | S | S | * | * | | | | 23.8 | 110.4 | 66.6 | -93 | -165.6 | 170.3 | -124.4 | -3.5 | 115.4 | K1112 T1116 | K1112-R1114 HydrophobicContact CB-CB 4.36Å; R1114-T1116 PolarHBondContact O-N 2.74Å |
| 1115 | E | 30 | Very low | 30.5 | Very low | 139 Ų | 139 | 131.3 Ų | 131.3 | 65% | 0.65 | 71% | 0.707 | S | S | * | * | S | Bend | trans | 74.9 | 28.3 | 131.7 | -67.1 | 154.9 | -166.9 | 0 | 0 | 118.8 | | |
| 1116 | T | 27.1 | Very low | 30.4 | Very low | 118 Ų | 118 | 129.9 Ų | 129.9 | 72% | 0.724 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -137.6 | 69.2 | 157.5 | 58 | 0 | 0 | 0 | 0 | 113.7 | R1114 | R1114-T1116 PolarHBondContact O-N 2.74Š|
| 1117 | L | 28.8 | Very low | 30.1 | Very low | 166 Ų | 166 | 133.9 Ų | 133.9 | 87% | 0.869 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -174.3 | 128.4 | 152.1 | -100.7 | 158.2 | 0 | 0 | 0 | 105.8 | | |
| 1118 | N | 26.2 | Very low | 29.9 | Very low | 163 Ų | 163 | 135.2 Ų | 135.2 | 87% | 0.872 | 75% | 0.745 | S | S | * | * | | | trans | 75.1 | 62.8 | -164.9 | -55.7 | -16 | 0 | 0 | 0 | 116 | | |
| 1119 | S | 28.8 | Very low | 29.6 | Very low | 110 Ų | 110 | 133.9 Ų | 133.9 | 77% | 0.769 | 75% | 0.748 | S | S | * | * | | | trans | -133.3 | 106.4 | 145.6 | 65 | 0 | 0 | 0 | 0 | 109.6 | K1121 | S1119-K1121 PolarHBondContact O-N 3.13Š|
| 1120 | S | 27.3 | Very low | 29.3 | Very low | 108 Ų | 108 | 132 Ų | 132 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | | | trans | -77.2 | 109.1 | -179.1 | 34.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1121 | K | 30.4 | Very low | 29.1 | Very low | 196 Ų | 196 | 134 Ų | 134 | 85% | 0.852 | 77% | 0.767 | S | S | * | * | | | trans | -149 | 93.8 | 167.2 | -112.2 | 173.7 | -173.5 | 179.2 | 0 | 113.1 | S1119 | S1119-K1121 PolarHBondContact O-N 3.13Š|
| 1122 | S | 27.2 | Very low | 29 | Very low | 102 Ų | 102 | 132.6 Ų | 132.6 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | | | trans | 7.1 | 114.4 | 143.4 | 56.2 | 0 | 0 | 0 | 0 | 119.1 | | |
| 1123 | I | 30.3 | Very low | 28.8 | Very low | 159 Ų | 159 | 131.8 Ų | 131.8 | 82% | 0.815 | 78% | 0.775 | S | S | * | * | | | trans | -164.9 | 109.3 | 136.7 | -89.6 | 139.7 | 0 | 0 | 0 | 103.2 | | |
| 1124 | S | 28.3 | Very low | 28.6 | Very low | 93 Ų | 93 | 128.7 Ų | 128.7 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | | | | 78.5 | 118.5 | 62.5 | -62.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 1125 | S | 30.5 | Very low | 28.6 | Very low | 124 Ų | 124 | 127.3 Ų | 127.3 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | | | trans | 59.5 | 146.3 | 176.2 | 43.7 | 0 | 0 | 0 | 0 | 117.1 | | |
| 1126 | S | 30.7 | Very low | 28.6 | Very low | 103 Ų | 103 | 126.1 Ų | 126.1 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | | | cis | -146.8 | 145.8 | -6.5 | 47.6 | 0 | 0 | 0 | 0 | 108.5 | | |
| 1127 | L | 28.3 | Very low | 28.6 | Very low | 165 Ų | 165 | 126.2 Ų | 126.2 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | | | | 36.4 | 137.4 | 98.6 | -94.5 | 68.3 | 0 | 0 | 0 | 115.3 | | |
| 1128 | S | 29 | Very low | 28.6 | Very low | 119 Ų | 119 | 123 Ų | 123 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | | | cis | -147 | 164.8 | 26.8 | 53.9 | 0 | 0 | 0 | 0 | 115.7 | | |
| 1129 | S | 27.7 | Very low | 28.6 | Very low | 110 Ų | 110 | 122.1 Ų | 122.1 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | | | trans | -105.1 | 154.3 | -177.9 | 54.6 | 0 | 0 | 0 | 0 | 114.7 | | |
| 1130 | S | 29.1 | Very low | 28.6 | Very low | 114 Ų | 114 | 124.9 Ų | 124.9 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | | | trans | -156.7 | 101.2 | 148.5 | 47.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 1131 | T | 27.7 | Very low | 28.4 | Very low | 135 Ų | 135 | 125.6 Ų | 125.6 | 83% | 0.828 | 79% | 0.785 | S | S | * | * | | | | 54.7 | 100.5 | 85.6 | 30.7 | 0 | 0 | 0 | 0 | 119.3 | | |
| 1132 | S | 30.2 | Very low | 28.2 | Very low | 104 Ų | 104 | 121.8 Ų | 121.8 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | | | trans | -166 | 114.1 | 139.9 | 50.7 | 0 | 0 | 0 | 0 | 107.9 | | |
| 1133 | T | 27.5 | Very low | 28.2 | Very low | 131 Ų | 131 | 123.4 Ų | 123.4 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | | 49.4 | 128.8 | 84.2 | 62.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1134 | S | 27.9 | Very low | 28 | Very low | 92 Ų | 92 | 122.7 Ų | 122.7 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | | | cis | -171.4 | 168.5 | 0.1 | 49.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1135 | T | 27.7 | Very low | 27.8 | Very low | 123 Ų | 123 | 122.7 Ų | 122.7 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | | | trans | 62.1 | 152.3 | 160.2 | 48.6 | 0 | 0 | 0 | 0 | 116.7 | | |
| 1136 | T | 29.4 | Very low | 27.7 | Very low | 114 Ų | 114 | 125.9 Ų | 125.9 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | | | cis | -156.8 | 158.6 | -2.9 | 1.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1137 | S | 26.9 | Very low | 27.5 | Very low | 120 Ų | 120 | 127.4 Ų | 127.4 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | | | trans | 32.1 | 96.6 | 143.4 | -49.4 | 0 | 0 | 0 | 0 | 120.4 | | |
| 1138 | A | 29.5 | Very low | 27.4 | Very low | 99 Ų | 99 | 125.8 Ų | 125.8 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | | | trans | -152 | 101.3 | 155.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1139 | T | 25.2 | Very low | 27.4 | Very low | 143 Ų | 143 | 129.8 Ų | 129.8 | 88% | 0.877 | 77% | 0.772 | S | S | * | * | | | trans | -81.7 | 120 | 170.7 | 14.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1140 | I | 29.1 | Very low | 27.4 | Very low | 168 Ų | 168 | 131.2 Ų | 131.2 | 86% | 0.862 | 77% | 0.766 | S | S | * | * | | | trans | -143.8 | 135 | 153.2 | -91.5 | 122.4 | 0 | 0 | 0 | 109.5 | | |
| 1141 | T | 24.7 | Very low | 27.3 | Very low | 123 Ų | 123 | 132.3 Ų | 132.3 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | | | trans | -82.6 | 142 | -176.4 | -40.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1142 | T | 25.2 | Very low | 27.2 | Very low | 116 Ų | 116 | 131 Ų | 131 | 71% | 0.712 | 75% | 0.751 | S | S | * | * | | | | 162.9 | 158.7 | 123.4 | 41.3 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1143 | N | 26.6 | Very low | 27.1 | Very low | 136 Ų | 136 | 132.3 Ų | 132.3 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | | | trans | 76.3 | 93.4 | 157.2 | -55.2 | -33.4 | 0 | 0 | 0 | 119.9 | | |
| 1144 | N | 26.4 | Very low | 27 | Very low | 144 Ų | 144 | 131.5 Ų | 131.5 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | | | trans | 54 | 76 | 137.4 | -59.2 | -5.2 | 0 | 0 | 0 | 118.4 | | |
| 1145 | S | 24.7 | Very low | 27 | Very low | 94 Ų | 94 | 133.6 Ų | 133.6 | 66% | 0.657 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -57.7 | 147.4 | 151.1 | 43.8 | 0 | 0 | 0 | 0 | 112.1 | L1147 | S1145-L1147 PolarHBondContact O-N 2.82Å; S1145-L1147 VanDerWaalsContact O-N 3.09Å |
| 1146 | Q | 28.3 | Very low | 27 | Very low | 191 Ų | 191 | 134.4 Ų | 134.4 | 89% | 0.893 | 76% | 0.756 | S | S | * | * | S | Bend | trans | 66.7 | 5.7 | 155.4 | -65 | 166.6 | -13.1 | 0 | 0 | 119.7 | | |
| 1147 | L | 26.7 | Very low | 27.2 | Very low | 134 Ų | 134 | 134 Ų | 134 | 70% | 0.702 | 75% | 0.748 | S | S | * | * | | | trans | -115.2 | 74.1 | 178.1 | -80.2 | 168.6 | 0 | 0 | 0 | 114.4 | S1145 | S1145-L1147 PolarHBondContact O-N 2.82Å; S1145-L1147 VanDerWaalsContact O-N 3.09Å |
| 1148 | L | 26.5 | Very low | 27.3 | Very low | 132 Ų | 132 | 130 Ų | 130 | 69% | 0.691 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -151.7 | -9.4 | 164.2 | -146.3 | 67 | 0 | 0 | 0 | 117.5 | | |
| 1149 | F | 27.4 | Very low | 27.4 | Very low | 203 Ų | 203 | 130 Ų | 130 | 89% | 0.89 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -102 | -8.5 | 178.6 | -82.8 | -82.8 | 0 | 0 | 0 | 115.2 | | |
| 1150 | Q | 28.6 | Very low | 27.8 | Very low | 139 Ų | 139 | 130.8 Ų | 130.8 | 65% | 0.65 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -99.9 | 92.8 | 164.9 | -70.3 | 179.1 | -11.7 | 0 | 0 | 109.1 | | |
| 1151 | N | 26.2 | Very low | 28.1 | Very low | 137 Ų | 137 | 126.9 Ų | 126.9 | 73% | 0.733 | 67% | 0.674 | S | S | * | * | S | Bend | trans | 166.1 | -20.9 | 156.9 | -92.3 | -40.5 | 0 | 0 | 0 | 113.4 | V1153 | N1151-V1153 PolarHBondContact O-N 3.3Š|
| 1152 | N | 26.3 | Very low | 28.7 | Very low | 107 Ų | 107 | 126.5 Ų | 126.5 | 57% | 0.572 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -86.2 | -5.1 | -166.7 | -74.8 | -27.1 | 0 | 0 | 0 | 116.5 | | |
| 1153 | V | 27.5 | Very low | 29.5 | Very low | 133 Ų | 133 | 128.5 Ų | 128.5 | 81% | 0.806 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -76.9 | -25.8 | 179.4 | -175 | 0 | 0 | 0 | 0 | 112.2 | N1151 N1155 | N1151-V1153 PolarHBondContact O-N 3.3Å; V1153-N1155 VanDerWaalsContact C-N 3.29Å; V1153-N1155 PolarHBondContact O-N 3.21Å |
| 1154 | C | 26.3 | Very low | 29.9 | Very low | 114 Ų | 114 | 125.7 Ų | 125.7 | 77% | 0.77 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -77.1 | -5 | -176.1 | -60.9 | 0 | 0 | 0 | 0 | 115.2 | | |
| 1155 | N | 26.8 | Very low | 30.1 | Very low | 135 Ų | 135 | 123.4 Ų | 123.4 | 72% | 0.722 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -119.5 | 24.7 | -166.8 | -82.8 | -32.3 | 0 | 0 | 0 | 114.9 | V1153 | V1153-N1155 VanDerWaalsContact C-N 3.29Å; V1153-N1155 PolarHBondContact O-N 3.21Å |
| 1156 | I | 28.9 | Very low | 30.8 | Very low | 141 Ų | 141 | 124 Ų | 124 | 72% | 0.723 | 65% | 0.653 | S | S | * | * | | | trans | -114.6 | 59.7 | 171.2 | -41.7 | -177.8 | 0 | 0 | 0 | 110.8 | P1158 | I1156-P1158 WeakPolarHBondContact O-CD 3.33Š|
| 1157 | I | 32.4 | Very low | 31.3 | Very low | 105 Ų | 105 | 121.2 Ų | 121.2 | 54% | 0.538 | 65% | 0.651 | S | S | . | * | | | trans | -89.7 | 108.4 | 147.4 | -59.8 | 178.1 | 0 | 0 | 0 | 105.5 | D1159 L1161 L1162 | I1157-D1159 PolarHBondContact O-N 3.31Å; I1157-L1161 HydrophobicContact CG2-CB 4.22Å; I1157-L1162 HydrophobicContact CG2-CD1 3.99Å; I1157-L1162 HydrophobicContact CG2-CG 3.87Å |
| 1158 | P | 30.5 | Very low | 31.9 | Very low | 37 Ų | 37 | 117.1 Ų | 117.1 | 24% | 0.24 | 63% | 0.634 | C | S | . | * | | | trans | -58.9 | 137.7 | 177.5 | -25.4 | 35.4 | 0 | 0 | 0 | 111 | I1156 Y1160 L1161 | I1156-P1158 WeakPolarHBondContact O-CD 3.33Å; P1158-Y1160 HydrophobicContact CB-CD1 3.49Å; P1158-Y1160 VanDerWaalsContact CB-CD1 3.49Å; P1158-Y1160 HydrophobicContact CB-CE1 3.19Å; P1158-Y1160 HydrophobicContact CB-CE2 4.28Å; P1158-Y1160 HydrophobicContact CB-CG 4.15Å; P1158-Y1160 HydrophobicContact CG-CE1 3.88Å; P1158-Y1160 PolarHBondContact O-N 2.91Å; P1158-L1161 WeakPolarHBondContact O-CB 3.23Å; P1158-L1161 PolarHBondContact O-N 3.38Å |
| 1159 | D | 31.6 | Very low | 32.7 | Very low | 99 Ų | 99 | 115.7 Ų | 115.7 | 53% | 0.529 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -57.1 | -24.6 | -174.4 | -146.3 | 35.7 | 0 | 0 | 0 | 112.7 | I1157 K1163 | I1157-D1159 PolarHBondContact O-N 3.31Å; D1159-K1163 WeakPolarHBondContact O-CB 3.16Å; D1159-K1163 WeakPolarHBondContact O-CD 3.22Å; D1159-K1163 WeakPolarHBondContact O-CG 3.48Å; D1159-K1163 PolarHBondContact O-N 2.75Å; D1159-K1163 VanDerWaalsContact O-N 3.09Å; D1159-K1163 WeakPolarHBondContact OD2-CE 3.35Å; D1159-K1163 IonicContact OD2-NZ 3.29Å; D1159-K1163 PolarHBondContact OD2-NZ 3.06Å |
| 1160 | Y | 33.2 | Very low | 33.6 | Very low | 159 Ų | 159 | 108 Ų | 108 | 62% | 0.624 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -67.7 | -33 | 172.8 | 67.8 | -105.6 | 0 | 0 | 0 | 113.8 | P1158 K1163 S1164 | P1158-Y1160 HydrophobicContact CB-CD1 3.49Å; P1158-Y1160 VanDerWaalsContact CB-CD1 3.49Å; P1158-Y1160 HydrophobicContact CB-CE1 3.19Å; P1158-Y1160 HydrophobicContact CB-CE2 4.28Å; P1158-Y1160 HydrophobicContact CB-CG 4.15Å; P1158-Y1160 HydrophobicContact CG-CE1 3.88Å; P1158-Y1160 PolarHBondContact O-N 2.91Å; Y1160-K1163 PolarHBondContact O-N 3.41Å; Y1160-S1164 WeakPolarHBondContact O-CB 3.34Å; Y1160-S1164 PolarHBondContact O-N 3.28Å; Y1160-S1164 PolarHBondContact O-OG 3.34Å |
| 1161 | L | 35.2 | Very low | 34.8 | Very low | 86 Ų | 86 | 105.8 Ų | 105.8 | 45% | 0.45 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -69.5 | -38 | 177.5 | -69 | -174.9 | 0 | 0 | 0 | 111.6 | I1157 P1158 S1164 | I1157-L1161 HydrophobicContact CG2-CB 4.22Å; P1158-L1161 WeakPolarHBondContact O-CB 3.23Å; P1158-L1161 PolarHBondContact O-N 3.38Å; L1161-S1164 WeakPolarHBondContact CA-OG 2.92Å; L1161-S1164 PolarHBondContact O-OG 3.13Å |
| 1162 | L | 38.2 | Very low | 36.6 | Very low | 115 Ų | 115 | 104.9 Ų | 104.9 | 60% | 0.602 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -70.3 | -34.6 | 174.4 | -75.3 | 165.5 | 0 | 0 | 0 | 112 | I1157 | I1157-L1162 HydrophobicContact CG2-CD1 3.99Å; I1157-L1162 HydrophobicContact CG2-CG 3.87Å |
| 1163 | K | 40.4 | Very low | 38.4 | Very low | 157 Ų | 157 | 103 Ų | 103 | 68% | 0.683 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -79.4 | -21.5 | 175.9 | -72.1 | 166 | 178 | 166.6 | 0 | 114 | D1159 Y1160 | D1159-K1163 WeakPolarHBondContact O-CB 3.16Å; D1159-K1163 WeakPolarHBondContact O-CD 3.22Å; D1159-K1163 WeakPolarHBondContact O-CG 3.48Å; D1159-K1163 PolarHBondContact O-N 2.75Å; D1159-K1163 VanDerWaalsContact O-N 3.09Å; D1159-K1163 WeakPolarHBondContact OD2-CE 3.35Å; D1159-K1163 IonicContact OD2-NZ 3.29Å; D1159-K1163 PolarHBondContact OD2-NZ 3.06Å; Y1160-K1163 PolarHBondContact O-N 3.41Å |
| 1164 | S | 34.7 | Very low | 40.2 | Very low | 77 Ų | 77 | 97.9 Ų | 97.9 | 54% | 0.538 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -81.6 | -8.3 | -178.8 | 66.4 | 0 | 0 | 0 | 0 | 115.5 | Y1160 L1161 P1166 | Y1160-S1164 WeakPolarHBondContact O-CB 3.34Å; Y1160-S1164 PolarHBondContact O-N 3.28Å; Y1160-S1164 PolarHBondContact O-OG 3.34Å; L1161-S1164 WeakPolarHBondContact CA-OG 2.92Å; L1161-S1164 PolarHBondContact O-OG 3.13Å; S1164-P1166 WeakPolarHBondContact O-CD 3.31Å |
| 1165 | C | 32.1 | Very low | 42 | Very low | 96 Ų | 96 | 96.5 Ų | 96.5 | 65% | 0.649 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -83.7 | 106.2 | 172.9 | -83.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1166 | P | 39.1 | Very low | 43.7 | Very low | 108 Ų | 108 | 96.9 Ų | 96.9 | 70% | 0.701 | 53% | 0.529 | S | S | * | . | | | trans | -61.4 | 144.7 | 172 | 27.6 | -35 | 0 | 0 | 0 | 109.9 | S1164 S1168 | S1164-P1166 WeakPolarHBondContact O-CD 3.31Å; P1166-S1168 PolarHBondContact O-N 2.86Å |
| 1167 | P | 39.4 | Very low | 45.1 | Very low | 132 Ų | 132 | 93 Ų | 93 | 86% | 0.857 | 51% | 0.513 | S | S | * | . | | | trans | -66.3 | 99.4 | -175.8 | 26.3 | -34.4 | 0 | 0 | 0 | 110.9 | D1169 | P1167-D1169 PolarHBondContact O-N 3.45Š|
| 1168 | S | 38.4 | Very low | 46.5 | Very low | 48 Ų | 48 | 96.5 Ų | 96.5 | 34% | 0.336 | 52% | 0.52 | S | S | . | . | | | trans | -64.8 | 117.4 | 178.7 | 63 | 0 | 0 | 0 | 0 | 110.5 | P1166 S1170 | P1166-S1168 PolarHBondContact O-N 2.86Å; S1168-S1170 PolarHBondContact O-N 2.86Å; S1168-S1170 PolarHBondContact OG-O 2.86Å |
| 1169 | D | 43.8 | Very low | 48.4 | Very low | 101 Ų | 101 | 100.1 Ų | 100.1 | 54% | 0.54 | 54% | 0.536 | S | S | . | . | S | Bend | trans | -62.4 | -6 | 178.8 | -142 | -4.3 | 0 | 0 | 0 | 112.7 | R941 P1167 P1171 | R941-D1169 IonicContact CZ-OD1 2.83Å; R941-D1169 IonicContact NH1-OD1 3.69Å; R941-D1169 PolarHBondContact NH1-OD1 3.31Å; R941-D1169 IonicContact NH2-OD1 2.88Å; R941-D1169 PolarHBondContact NH2-OD1 2.72Å; R941-D1169 IonicContact NH2-OD2 3.34Å; R941-D1169 PolarHBondContact NH2-OD2 2.97Å; P1167-D1169 PolarHBondContact O-N 3.45Å; D1169-P1171 WeakPolarHBondContact O-CD 3.29Å |
| 1170 | S | 45.5 | Very low | 50.1 | Low | 42 Ų | 42 | 99.3 Ų | 99.3 | 29% | 0.294 | 53% | 0.532 | S | S | . | . | | | trans | -99.2 | 100.5 | 171.4 | 46.6 | 0 | 0 | 0 | 0 | 111.7 | S1168 L1172 L1173 G1174 | S1168-S1170 PolarHBondContact O-N 2.86Å; S1168-S1170 PolarHBondContact OG-O 2.86Å; S1170-L1172 PolarHBondContact O-N 3.02Å; S1170-L1172 VanDerWaalsContact O-N 3.11Å; S1170-L1173 PolarHBondContact O-N 3.09Å; S1170-L1173 WeakPolarHBondContact OG-CB 3.34Å; S1170-G1174 PolarHBondContact O-N 3.03Å |
| 1171 | P | 54.6 | Low | 51.4 | Low | 93 Ų | 93 | 97 Ų | 97 | 60% | 0.604 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.9 | -23.1 | 178.4 | 23.8 | -33.8 | 0 | 0 | 0 | 113.5 | D1169 L1173 Q1175 | D1169-P1171 WeakPolarHBondContact O-CD 3.29Å; P1171-L1173 VanDerWaalsContact C-N 3.35Å; P1171-Q1175 WeakPolarHBondContact O-CG 3.36Å; P1171-Q1175 PolarHBondContact O-N 3.3Å |
| 1172 | L | 62.8 | Low | 52.4 | Low | 117 Ų | 117 | 97.6 Ų | 97.6 | 61% | 0.613 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.6 | -33.3 | 172 | -70 | 170.8 | 0 | 0 | 0 | 113 | S1170 Y1176 | S1170-L1172 PolarHBondContact O-N 3.02Å; S1170-L1172 VanDerWaalsContact O-N 3.11Å; L1172-Y1176 WeakPolarHBondContact O-CB 3.37Å; L1172-Y1176 PolarHBondContact O-N 3.2Å |
| 1173 | L | 65 | Low | 52.7 | Low | 68 Ų | 68 | 100 Ų | 100 | 36% | 0.356 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -73.6 | -44.7 | 178.1 | -175.4 | 59.3 | 0 | 0 | 0 | 110.3 | S1170 P1171 Q1175 Y1176 C1177 | S1170-L1173 PolarHBondContact O-N 3.09Å; S1170-L1173 WeakPolarHBondContact OG-CB 3.34Å; P1171-L1173 VanDerWaalsContact C-N 3.35Å; L1173-Q1175 VanDerWaalsContact C-N 3.28Å; L1173-Q1175 PolarHBondContact O-N 3.31Å; L1173-Y1176 HydrophobicContact CD1-CD1 4.41Å; L1173-Y1176 PolarHBondContact O-N 3.36Å; L1173-Y1176 VanDerWaalsContact O-N 3.1Å; L1173-C1177 PolarHBondContact O-N 2.78Å; L1173-C1177 PolarHBondContact O-SG 2.83Å; L1173-C1177 VanDerWaalsContact O-SG 3.35Å |
| 1174 | G | 66.2 | Low | 52.9 | Low | 26 Ų | 26 | 95 Ų | 95 | 27% | 0.268 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58 | -38.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S1170 R1178 | S1170-G1174 PolarHBondContact O-N 3.03Å; G1174-R1178 WeakPolarHBondContact O-CB 3.31Å; G1174-R1178 VanDerWaalsContact O-CG 3.31Å; G1174-R1178 WeakPolarHBondContact O-CG 3.09Å; G1174-R1178 PolarHBondContact O-N 3.02Å; G1174-R1178 VanDerWaalsContact O-N 3.11Å |
| 1175 | Q | 62.7 | Low | 53.1 | Low | 85 Ų | 85 | 96.7 Ų | 96.7 | 40% | 0.397 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.9 | -41.5 | 171.8 | -76.6 | 179.9 | -18.9 | 0 | 0 | 112.8 | P1171 L1173 R1178 L1179 | P1171-Q1175 WeakPolarHBondContact O-CG 3.36Å; P1171-Q1175 PolarHBondContact O-N 3.3Å; L1173-Q1175 VanDerWaalsContact C-N 3.28Å; L1173-Q1175 PolarHBondContact O-N 3.31Å; Q1175-R1178 PolarHBondContact O-N 3.22Å; Q1175-L1179 WeakPolarHBondContact O-CB 3.47Å; Q1175-L1179 PolarHBondContact O-N 3.2Å |
| 1176 | Y | 62.6 | Low | 53.4 | Low | 142 Ų | 142 | 98.3 Ų | 98.3 | 56% | 0.557 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.6 | -42.6 | 177.9 | -179.5 | -116.8 | 0 | 0 | 0 | 112.4 | L1172 L1173 R1178 L1179 L1180 | L1172-Y1176 WeakPolarHBondContact O-CB 3.37Å; L1172-Y1176 PolarHBondContact O-N 3.2Å; L1173-Y1176 HydrophobicContact CD1-CD1 4.41Å; L1173-Y1176 PolarHBondContact O-N 3.36Å; L1173-Y1176 VanDerWaalsContact O-N 3.1Å; Y1176-R1178 PolarHBondContact O-N 3.3Å; Y1176-L1179 PolarHBondContact O-N 3.36Å; Y1176-L1180 HydrophobicContact CD1-CD1 3.95Å; Y1176-L1180 HydrophobicContact CE1-CD1 3.48Å; Y1176-L1180 VanDerWaalsContact CE1-CD1 3.48Å; Y1176-L1180 HydrophobicContact CE1-CG 4.36Å; Y1176-L1180 HydrophobicContact CE2-CD1 4.28Å; Y1176-L1180 HydrophobicContact CE2-CG 4.3Å; Y1176-L1180 PolarHBondContact O-N 2.76Å |
| 1177 | C | 59.6 | Low | 53.3 | Low | 59 Ų | 59 | 98.7 Ų | 98.7 | 40% | 0.399 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.4 | -39.4 | 173.7 | -66 | 0 | 0 | 0 | 0 | 112 | L1173 L1180 L1181 | L1173-C1177 PolarHBondContact O-N 2.78Å; L1173-C1177 PolarHBondContact O-SG 2.83Å; L1173-C1177 VanDerWaalsContact O-SG 3.35Å; C1177-L1180 PolarHBondContact O-N 3.12Å; C1177-L1181 WeakPolarHBondContact O-CB 3.46Å; C1177-L1181 WeakPolarHBondContact O-CG 3.46Å; C1177-L1181 PolarHBondContact O-N 3.38Å |
| 1178 | R | 60.9 | Low | 53.1 | Low | 179 Ų | 179 | 99.4 Ų | 99.4 | 68% | 0.675 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.9 | -39.7 | 172.4 | -75.5 | 177.4 | -179.9 | -162.8 | -1 | 112.7 | G1174 Q1175 Y1176 L1181 L1182 | G1174-R1178 WeakPolarHBondContact O-CB 3.31Å; G1174-R1178 VanDerWaalsContact O-CG 3.31Å; G1174-R1178 WeakPolarHBondContact O-CG 3.09Å; G1174-R1178 PolarHBondContact O-N 3.02Å; G1174-R1178 VanDerWaalsContact O-N 3.11Å; Q1175-R1178 PolarHBondContact O-N 3.22Å; Y1176-R1178 PolarHBondContact O-N 3.3Å; R1178-L1181 PolarHBondContact O-N 3.29Å; R1178-L1182 WeakPolarHBondContact O-CB 3.21Å; R1178-L1182 VanDerWaalsContact O-CG 3.29Å; R1178-L1182 WeakPolarHBondContact O-CG 3.08Å; R1178-L1182 PolarHBondContact O-N 3.07Å |
| 1179 | L | 69.5 | Low | 52.8 | Low | 113 Ų | 113 | 103.9 Ų | 103.9 | 59% | 0.592 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -68.3 | -32.6 | 175.2 | -82 | 161.8 | 0 | 0 | 0 | 112.9 | Q1175 Y1176 R1183 | Q1175-L1179 WeakPolarHBondContact O-CB 3.47Å; Q1175-L1179 PolarHBondContact O-N 3.2Å; Y1176-L1179 PolarHBondContact O-N 3.36Å; L1179-R1183 WeakPolarHBondContact O-CB 3.37Å; L1179-R1183 PolarHBondContact O-N 2.89Å |
| 1180 | L | 67.7 | Low | 52.2 | Low | 82 Ų | 82 | 106.9 Ų | 106.9 | 43% | 0.429 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68.3 | -43.9 | 170.7 | -83.6 | 168.6 | 0 | 0 | 0 | 111.9 | Y1176 C1177 R1183 A1184 | Y1176-L1180 HydrophobicContact CD1-CD1 3.95Å; Y1176-L1180 HydrophobicContact CE1-CD1 3.48Å; Y1176-L1180 VanDerWaalsContact CE1-CD1 3.48Å; Y1176-L1180 HydrophobicContact CE1-CG 4.36Å; Y1176-L1180 HydrophobicContact CE2-CD1 4.28Å; Y1176-L1180 HydrophobicContact CE2-CG 4.3Å; Y1176-L1180 PolarHBondContact O-N 2.76Å; C1177-L1180 PolarHBondContact O-N 3.12Å; L1180-R1183 PolarHBondContact O-N 3.49Å; L1180-A1184 VanDerWaalsContact O-CB 3.27Å; L1180-A1184 WeakPolarHBondContact O-CB 3.43Å; L1180-A1184 PolarHBondContact O-N 2.77Å |
| 1181 | L | 61.4 | Low | 51.4 | Low | 110 Ų | 110 | 111.2 Ų | 111.2 | 58% | 0.576 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64 | -42.5 | 176.2 | -77.4 | 161.6 | 0 | 0 | 0 | 112.1 | C1177 R1178 A1184 N1185 | C1177-L1181 WeakPolarHBondContact O-CB 3.46Å; C1177-L1181 WeakPolarHBondContact O-CG 3.46Å; C1177-L1181 PolarHBondContact O-N 3.38Å; R1178-L1181 PolarHBondContact O-N 3.29Å; L1181-A1184 PolarHBondContact O-N 2.73Å; L1181-N1185 VanDerWaalsContact O-CG 3.24Å; L1181-N1185 PolarHBondContact O-N 2.74Å; L1181-N1185 VanDerWaalsContact O-N 3.16Å; L1181-N1185 PolarHBondContact O-OD1 3.25Å |
| 1182 | L | 56.5 | Low | 50.3 | Low | 100 Ų | 100 | 112.9 Ų | 112.9 | 52% | 0.524 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61.3 | -51.4 | 174.1 | -73.2 | 165.8 | 0 | 0 | 0 | 110.8 | R1178 A1184 N1185 D1186 | R1178-L1182 WeakPolarHBondContact O-CB 3.21Å; R1178-L1182 VanDerWaalsContact O-CG 3.29Å; R1178-L1182 WeakPolarHBondContact O-CG 3.08Å; R1178-L1182 PolarHBondContact O-N 3.07Å; L1182-A1184 VanDerWaalsContact C-N 3.32Å; L1182-A1184 PolarHBondContact O-N 3.33Å; L1182-N1185 WeakPolarHBondContact O-CB 3.44Å; L1182-N1185 PolarHBondContact O-N 3.3Å; L1182-D1186 VanDerWaalsContact O-CG 3.25Å; L1182-D1186 PolarHBondContact O-N 3.16Å |
| 1183 | R | 43.7 | Very low | 48.7 | Very low | 166 Ų | 166 | 110.7 Ų | 110.7 | 63% | 0.626 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -58.8 | -40.7 | 176.9 | 175.5 | 174.5 | -72.9 | -179.7 | -7 | 113 | L1179 L1180 N1185 D1186 D1187 | L1179-R1183 WeakPolarHBondContact O-CB 3.37Å; L1179-R1183 PolarHBondContact O-N 2.89Å; L1180-R1183 PolarHBondContact O-N 3.49Å; R1183-N1185 PolarHBondContact O-N 2.83Å; R1183-D1186 PolarHBondContact O-N 3.07Å; R1183-D1187 VanDerWaalsContact CG-OD2 3.25Å; R1183-D1187 WeakPolarHBondContact CG-OD2 3.35Å; R1183-D1187 WeakPolarHBondContact O-CB 3.45Å; R1183-D1187 PolarHBondContact O-N 2.73Å |
| 1184 | A | 44 | Very low | 46.8 | Very low | 51 Ų | 51 | 113.5 Ų | 113.5 | 42% | 0.421 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -65.8 | -22.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1180 L1181 L1182 | L1180-A1184 VanDerWaalsContact O-CB 3.27Å; L1180-A1184 WeakPolarHBondContact O-CB 3.43Å; L1180-A1184 PolarHBondContact O-N 2.77Å; L1181-A1184 PolarHBondContact O-N 2.73Å; L1182-A1184 VanDerWaalsContact C-N 3.32Å; L1182-A1184 PolarHBondContact O-N 3.33Å |
| 1185 | N | 39 | Very low | 45.1 | Very low | 112 Ų | 112 | 117.9 Ų | 117.9 | 60% | 0.599 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -88 | -33.7 | 172 | -63.4 | -5.8 | 0 | 0 | 0 | 111.8 | L1181 L1182 R1183 D1187 H1188 | L1181-N1185 VanDerWaalsContact O-CG 3.24Å; L1181-N1185 PolarHBondContact O-N 2.74Å; L1181-N1185 VanDerWaalsContact O-N 3.16Å; L1181-N1185 PolarHBondContact O-OD1 3.25Å; L1182-N1185 WeakPolarHBondContact O-CB 3.44Å; L1182-N1185 PolarHBondContact O-N 3.3Å; R1183-N1185 PolarHBondContact O-N 2.83Å; N1185-D1187 VanDerWaalsContact C-N 3.33Å; N1185-H1188 PolarHBondContact O-N 3.07Å |
| 1186 | D | 38.1 | Very low | 43.5 | Very low | 130 Ų | 130 | 119.8 Ų | 119.8 | 70% | 0.695 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -69.7 | -28.2 | 175.5 | -62 | -34.8 | 0 | 0 | 0 | 112.3 | L1182 R1183 H1188 | L1182-D1186 VanDerWaalsContact O-CG 3.25Å; L1182-D1186 PolarHBondContact O-N 3.16Å; R1183-D1186 PolarHBondContact O-N 3.07Å; D1186-H1188 PolarHBondContact O-N 3.1Å |
| 1187 | D | 37.1 | Very low | 41.8 | Very low | 117 Ų | 117 | 121 Ų | 121 | 63% | 0.626 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | 19.4 | 176.6 | -71.8 | -37.7 | 0 | 0 | 0 | 112.9 | R1183 N1185 | R1183-D1187 VanDerWaalsContact CG-OD2 3.25Å; R1183-D1187 WeakPolarHBondContact CG-OD2 3.35Å; R1183-D1187 WeakPolarHBondContact O-CB 3.45Å; R1183-D1187 PolarHBondContact O-N 2.73Å; N1185-D1187 VanDerWaalsContact C-N 3.33Å |
| 1188 | H | 35.7 | Very low | 40.3 | Very low | 146 Ų | 146 | 124.3 Ų | 124.3 | 68% | 0.676 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -130.5 | 69 | -177 | -83.9 | 1.9 | 0 | 0 | 0 | 113.7 | N1185 D1186 | N1185-H1188 PolarHBondContact O-N 3.07Å; D1186-H1188 PolarHBondContact O-N 3.1Å |
| 1189 | D | 32.6 | Very low | 38.7 | Very low | 142 Ų | 142 | 122.9 Ų | 122.9 | 76% | 0.759 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -164.1 | -22.4 | 152.6 | -108.3 | -25.9 | 0 | 0 | 0 | 114.1 | T1191 | D1189-T1191 PolarHBondContact O-N 3.25Š|
| 1190 | D | 31.5 | Very low | 36.8 | Very low | 165 Ų | 165 | 125.1 Ų | 125.1 | 88% | 0.882 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | 18.7 | -173.5 | -110.9 | -3.2 | 0 | 0 | 0 | 116.1 | | |
| 1191 | T | 28 | Very low | 35 | Very low | 132 Ų | 132 | 126.8 Ų | 126.8 | 81% | 0.81 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.6 | 32.6 | -177.1 | 49.1 | 0 | 0 | 0 | 0 | 115.3 | D1189 A1193 | D1189-T1191 PolarHBondContact O-N 3.25Å; T1191-A1193 VanDerWaalsContact C-N 3.34Å; T1191-A1193 PolarHBondContact O-N 3.24Å |
| 1192 | V | 30.9 | Very low | 33.4 | Very low | 129 Ų | 129 | 128.9 Ų | 128.9 | 78% | 0.782 | 70% | 0.702 | S | S | * | * | | | trans | -74 | 90 | 163.5 | -177.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 1193 | A | 29.6 | Very low | 32.3 | Very low | 70 Ų | 70 | 130.3 Ų | 130.3 | 58% | 0.579 | 72% | 0.715 | S | S | * | * | | | trans | 44.3 | 82.9 | 145.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | T1191 V1195 | T1191-A1193 VanDerWaalsContact C-N 3.34Å; T1191-A1193 PolarHBondContact O-N 3.24Å; A1193-V1195 HydrophobicContact CB-CG2 3.97Å; A1193-V1195 PolarHBondContact O-N 3.38Å |
| 1194 | T | 26.3 | Very low | 31.7 | Very low | 127 Ų | 127 | 131.1 Ų | 131.1 | 78% | 0.779 | 73% | 0.725 | S | S | * | * | | | trans | -70.1 | 83.9 | 143.2 | 52.3 | 0 | 0 | 0 | 0 | 108.6 | | |
| 1195 | V | 30.2 | Very low | 31.3 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 72% | 0.721 | 74% | 0.741 | S | S | * | * | | | trans | -97.1 | 108 | 168.5 | 168.2 | 0 | 0 | 0 | 0 | 107.5 | A1193 | A1193-V1195 HydrophobicContact CB-CG2 3.97Å; A1193-V1195 PolarHBondContact O-N 3.38Å |
| 1196 | D | 28.2 | Very low | 31 | Very low | 125 Ų | 125 | 135.7 Ų | 135.7 | 67% | 0.668 | 74% | 0.743 | S | S | * | * | | | trans | -70.4 | 155.8 | 173.9 | -63.8 | -61.7 | 0 | 0 | 0 | 111.5 | | |
| 1197 | H | 26.6 | Very low | 30.7 | Very low | 167 Ų | 167 | 135.6 Ų | 135.6 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | | | trans | 59.5 | 83.7 | 164.4 | -54.5 | -58.9 | 0 | 0 | 0 | 118.2 | | |
| 1198 | I | 30 | Very low | 30.4 | Very low | 129 Ų | 129 | 137 Ų | 137 | 66% | 0.662 | 75% | 0.75 | S | S | * | * | | | trans | -119.6 | 121.9 | 136.8 | -64 | -178.1 | 0 | 0 | 0 | 107.7 | I1200 | I1198-I1200 PolarHBondContact O-N 3.1Š|
| 1199 | N | 25.6 | Very low | 30.1 | Very low | 148 Ų | 148 | 137.1 Ų | 137.1 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | | | trans | -70 | 123.6 | 172.8 | -64.7 | -12.9 | 0 | 0 | 0 | 109 | | |
| 1200 | I | 30.2 | Very low | 29.8 | Very low | 160 Ų | 160 | 135.1 Ų | 135.1 | 82% | 0.821 | 75% | 0.751 | S | S | * | * | | | trans | -111.8 | 124.7 | 156.1 | -62.7 | -178 | 0 | 0 | 0 | 105.6 | I1198 | I1198-I1200 PolarHBondContact O-N 3.1Š|
| 1201 | V | 30.8 | Very low | 29.6 | Very low | 117 Ų | 117 | 133.3 Ų | 133.3 | 71% | 0.709 | 75% | 0.746 | S | S | * | * | | | trans | -68.5 | 144.4 | -173.4 | 174.1 | 0 | 0 | 0 | 0 | 109.9 | T1203 | V1201-T1203 PolarHBondContact O-N 2.95Š|
| 1202 | D | 27.1 | Very low | 29.5 | Very low | 155 Ų | 155 | 134.9 Ų | 134.9 | 83% | 0.829 | 75% | 0.748 | S | S | * | * | | | trans | -54.7 | 125.1 | 173 | -59 | -73.8 | 0 | 0 | 0 | 110.7 | | |
| 1203 | T | 33.1 | Very low | 29.3 | Very low | 130 Ų | 130 | 134.7 Ų | 134.7 | 80% | 0.798 | 74% | 0.742 | S | S | * | * | | | trans | -142.6 | 95.7 | 162.3 | -46.9 | 0 | 0 | 0 | 0 | 106.5 | V1201 D1205 | V1201-T1203 PolarHBondContact O-N 2.95Å; T1203-D1205 PolarHBondContact O-N 3.45Å |
| 1204 | E | 30.7 | Very low | 29.2 | Very low | 182 Ų | 182 | 137.8 Ų | 137.8 | 85% | 0.85 | 75% | 0.749 | S | S | * | * | | | trans | -64.9 | 118.2 | 176.5 | -58.6 | -178.7 | 131.8 | 0 | 0 | 109.1 | | |
| 1205 | D | 35.6 | Very low | 29.2 | Very low | 141 Ų | 141 | 140 Ų | 140 | 75% | 0.754 | 74% | 0.744 | S | S | * | * | | | trans | -152.2 | 100.7 | 147.5 | -121.9 | -30.6 | 0 | 0 | 0 | 113.7 | T1203 | T1203-D1205 PolarHBondContact O-N 3.45Š|
| 1206 | N | 32.8 | Very low | 29 | Very low | 118 Ų | 118 | 139 Ų | 139 | 63% | 0.631 | 74% | 0.743 | S | S | * | * | | | trans | 35.5 | 113.2 | 136.3 | -67.4 | -71.7 | 0 | 0 | 0 | 120.5 | | |
| 1207 | N | 32.1 | Very low | 28.9 | Very low | 128 Ų | 128 | 138.2 Ų | 138.2 | 68% | 0.684 | 74% | 0.742 | S | S | * | * | | | trans | 55 | 99.6 | 131.1 | -49.9 | -43.4 | 0 | 0 | 0 | 118.3 | | |
| 1208 | N | 31.7 | Very low | 29 | Very low | 147 Ų | 147 | 138.9 Ų | 138.9 | 79% | 0.786 | 74% | 0.742 | S | S | * | * | | | | -176.1 | 129.5 | 96.1 | -92.4 | -51.3 | 0 | 0 | 0 | 115 | | |
| 1209 | I | 28.6 | Very low | 28.8 | Very low | 149 Ų | 149 | 140.1 Ų | 140.1 | 76% | 0.764 | 75% | 0.75 | S | S | * | * | | | trans | 21.2 | 125.8 | 139.2 | -65.8 | 165.3 | 0 | 0 | 0 | 119.6 | | |
| 1210 | S | 25.7 | Very low | 28.9 | Very low | 99 Ų | 99 | 137.9 Ų | 137.9 | 69% | 0.692 | 74% | 0.741 | S | S | * | * | | | trans | 104.4 | 146.7 | 144.3 | 75.5 | 0 | 0 | 0 | 0 | 121.6 | | |
| 1211 | T | 27 | Very low | 28.8 | Very low | 127 Ų | 127 | 136.3 Ų | 136.3 | 78% | 0.779 | 74% | 0.742 | S | S | * | * | | | trans | 55.8 | 75.2 | 166.5 | 58 | 0 | 0 | 0 | 0 | 118.4 | | |
| 1212 | L | 26.9 | Very low | 28.8 | Very low | 165 Ų | 165 | 137 Ų | 137 | 86% | 0.864 | 75% | 0.746 | S | S | * | * | | | trans | -94.7 | 130 | 142.1 | -159 | 75.1 | 0 | 0 | 0 | 108.7 | D1214 | L1212-D1214 PolarHBondContact O-N 3.09Š|
| 1213 | I | 27.1 | Very low | 28.9 | Very low | 126 Ų | 126 | 134.3 Ų | 134.3 | 65% | 0.646 | 75% | 0.745 | S | S | * | * | | | trans | -90.5 | 88.1 | -172.8 | -57 | 173.1 | 0 | 0 | 0 | 109.1 | Y1215 | I1213-Y1215 HydrophobicContact CG2-CD2 3.98Å; I1213-Y1215 HydrophobicContact CG2-CE2 3.82Å; I1213-Y1215 WeakPolarHBondContact O-CD2 3.45Å; I1213-Y1215 PolarHBondContact O-N 2.83Å; I1213-Y1215 VanDerWaalsContact O-N 3.09Å |
| 1214 | D | 27.1 | Very low | 28.7 | Very low | 134 Ų | 134 | 137 Ų | 137 | 72% | 0.717 | 75% | 0.749 | S | S | * | * | | | trans | -67.7 | 104.6 | 170.4 | -96.3 | -13.5 | 0 | 0 | 0 | 109.8 | L1212 S1216 | L1212-D1214 PolarHBondContact O-N 3.09Å; D1214-S1216 PolarHBondContact O-N 3.33Å; D1214-S1216 PolarHBondContact O-OG 3.31Å |
| 1215 | Y | 26.2 | Very low | 28.7 | Very low | 173 Ų | 173 | 134.9 Ų | 134.9 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | | | trans | -67.8 | 55.6 | 174.9 | -88.3 | -95.4 | 0 | 0 | 0 | 112.6 | I1213 V1217 | I1213-Y1215 HydrophobicContact CG2-CD2 3.98Å; I1213-Y1215 HydrophobicContact CG2-CE2 3.82Å; I1213-Y1215 WeakPolarHBondContact O-CD2 3.45Å; I1213-Y1215 PolarHBondContact O-N 2.83Å; I1213-Y1215 VanDerWaalsContact O-N 3.09Å; Y1215-V1217 PolarHBondContact O-N 3.2Å |
| 1216 | S | 26.6 | Very low | 28.5 | Very low | 100 Ų | 100 | 134.2 Ų | 134.2 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | | | trans | -84.4 | 55.7 | 179.9 | 53.3 | 0 | 0 | 0 | 0 | 111.4 | D1214 K1218 | D1214-S1216 PolarHBondContact O-N 3.33Å; D1214-S1216 PolarHBondContact O-OG 3.31Å; S1216-K1218 VanDerWaalsContact C-N 3.3Å; S1216-K1218 PolarHBondContact O-N 3.35Å |
| 1217 | V | 26.6 | Very low | 28.5 | Very low | 107 Ų | 107 | 133.1 Ų | 133.1 | 65% | 0.648 | 76% | 0.759 | S | S | * | * | | | trans | -67.5 | 87.1 | 179.9 | -172.8 | 0 | 0 | 0 | 0 | 110.1 | Y1215 L1219 | Y1215-V1217 PolarHBondContact O-N 3.2Å; V1217-L1219 VanDerWaalsContact C-N 3.34Å; V1217-L1219 HydrophobicContact CG1-CD2 4.21Å; V1217-L1219 HydrophobicContact CG1-CG 4.21Å; V1217-L1219 PolarHBondContact O-N 3.38Å |
| 1218 | K | 27.5 | Very low | 28.4 | Very low | 181 Ų | 181 | 133.2 Ų | 133.2 | 79% | 0.787 | 77% | 0.765 | S | S | * | * | | | trans | -61.8 | 97.7 | 161.4 | -77.5 | 178.6 | 178.2 | 169.6 | 0 | 108.4 | S1216 T1220 | S1216-K1218 VanDerWaalsContact C-N 3.3Å; S1216-K1218 PolarHBondContact O-N 3.35Å; K1218-T1220 PolarHBondContact O-N 3.3Å; K1218-T1220 PolarHBondContact O-OG1 2.97Å |
| 1219 | L | 26.2 | Very low | 28.9 | Very low | 156 Ų | 156 | 132.1 Ų | 132.1 | 82% | 0.817 | 77% | 0.766 | S | S | * | * | | | trans | -70.6 | 66.4 | 161.8 | -71.7 | 174.1 | 0 | 0 | 0 | 109.9 | V1217 P1221 | V1217-L1219 VanDerWaalsContact C-N 3.34Å; V1217-L1219 HydrophobicContact CG1-CD2 4.21Å; V1217-L1219 HydrophobicContact CG1-CG 4.21Å; V1217-L1219 PolarHBondContact O-N 3.38Å; L1219-P1221 WeakPolarHBondContact O-CD 3.08Å |
| 1220 | T | 27.8 | Very low | 29.1 | Very low | 100 Ų | 100 | 135.3 Ų | 135.3 | 61% | 0.613 | 79% | 0.792 | S | S | * | * | | | trans | -63.4 | 119.2 | 156.2 | 30.9 | 0 | 0 | 0 | 0 | 107.7 | K1218 T1222 | K1218-T1220 PolarHBondContact O-N 3.3Å; K1218-T1220 PolarHBondContact O-OG1 2.97Å; T1220-T1222 VanDerWaalsContact C-N 3.33Å; T1220-T1222 PolarHBondContact O-N 2.83Å |
| 1221 | P | 28.1 | Very low | 29.2 | Very low | 128 Ų | 128 | 137.2 Ų | 137.2 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | | | trans | -74.1 | 89.2 | 177.5 | 30.3 | -33.7 | 0 | 0 | 0 | 109.5 | L1219 A1223 | L1219-P1221 WeakPolarHBondContact O-CD 3.08Å; P1221-A1223 PolarHBondContact O-N 3.3Å |
| 1222 | T | 30.7 | Very low | 29.3 | Very low | 131 Ų | 131 | 137.7 Ų | 137.7 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | | | trans | -62.8 | 112 | 164.4 | 37.5 | 0 | 0 | 0 | 0 | 108.7 | T1220 E1224 | T1220-T1222 VanDerWaalsContact C-N 3.33Å; T1220-T1222 PolarHBondContact O-N 2.83Å; T1222-E1224 PolarHBondContact O-N 3.44Å |
| 1223 | A | 28.1 | Very low | 29.5 | Very low | 98 Ų | 98 | 136.2 Ų | 136.2 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | | | trans | -78.1 | 103.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | P1221 | P1221-A1223 PolarHBondContact O-N 3.3Š|
| 1224 | E | 28.8 | Very low | 29.6 | Very low | 188 Ų | 188 | 136.8 Ų | 136.8 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | | | trans | -166.7 | 46.9 | 163.7 | -117.8 | 170.2 | -140 | 0 | 0 | 114.2 | T1222 | T1222-E1224 PolarHBondContact O-N 3.44Š|
| 1225 | T | 32.2 | Very low | 29.8 | Very low | 136 Ų | 136 | 136.9 Ų | 136.9 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | | | trans | -157.6 | 123.7 | 160.4 | -14.2 | 0 | 0 | 0 | 0 | 113.5 | A1227 | T1225-A1227 PolarHBondContact O-N 3.05Š|
| 1226 | P | 29.7 | Very low | 30 | Very low | 127 Ų | 127 | 134.5 Ų | 134.5 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | | | trans | -84.8 | 90 | 174.9 | 32.7 | -32.5 | 0 | 0 | 0 | 111.4 | T1228 | P1226-T1228 PolarHBondContact O-N 2.67Š|
| 1227 | A | 34.7 | Very low | 30.3 | Very low | 95 Ų | 95 | 137 Ų | 137 | 79% | 0.785 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 117.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | T1225 | T1225-A1227 PolarHBondContact O-N 3.05Š|
| 1228 | T | 29.5 | Very low | 30.5 | Very low | 130 Ų | 130 | 139.3 Ų | 139.3 | 80% | 0.798 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 125 | 173.1 | 40.2 | 0 | 0 | 0 | 0 | 111.4 | P1226 | P1226-T1228 PolarHBondContact O-N 2.67Š|
| 1229 | P | 41.4 | Very low | 30.8 | Very low | 124 Ų | 124 | 135.8 Ų | 135.8 | 81% | 0.805 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 147.5 | 170.3 | 31.7 | -33.9 | 0 | 0 | 0 | 111.4 | | |
| 1230 | V | 32.5 | Very low | 31.2 | Very low | 217 Ų | 217 | 134 Ų | 134 | 100% | 1.315 | 85% | 0.845 | S | S | * | * | | | trans | -82.4 | 0 | 172.8 | 179.4 | 0 | 0 | 0 | 0 | 110.6 | | |