| 1 | M | 34.5 | Very low | 43.7 | Very low | 240 Ų | 240 | 128.3 Ų | 128.3 | 100% | 1.182 | 82% | 0.818 | S | S | * | * | | | | 0 | 162.4 | 0 | -78.6 | 173.6 | 73.6 | 0 | 0 | 108.4 | | |
| 2 | P | 54.1 | Low | 44.4 | Very low | 104 Ų | 104 | 129.6 Ų | 129.6 | 68% | 0.675 | 81% | 0.813 | S | S | * | * | | | trans | -104.3 | -161.1 | -147.9 | 41.5 | -38.4 | 0 | 0 | 0 | 114.9 | | |
| 3 | Q | 45.8 | Very low | 44.4 | Very low | 155 Ų | 155 | 124.8 Ų | 124.8 | 72% | 0.724 | 80% | 0.804 | S | S | * | * | | | trans | 79 | 118.4 | -173.9 | -40.2 | -53.4 | 1.4 | 0 | 0 | 113.4 | | |
| 4 | L | 44.9 | Very low | 44.2 | Very low | 146 Ų | 146 | 123.4 Ų | 123.4 | 76% | 0.764 | 81% | 0.808 | S | S | * | * | | | cis | 89.6 | 122.4 | 28.8 | -60.4 | -178.4 | 0 | 0 | 0 | 116 | | |
| 5 | N | 38.8 | Very low | 44.2 | Very low | 166 Ų | 166 | 124.7 Ų | 124.7 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | | | trans | 72.4 | 140.2 | 148.3 | -107.6 | 60.7 | 0 | 0 | 0 | 122.4 | | |
| 6 | G | 41.8 | Very low | 44.4 | Very low | 78 Ų | 78 | 126.8 Ų | 126.8 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | | | trans | 105.1 | 116.6 | 164.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 7 | G | 39.8 | Very low | 45.2 | Very low | 83 Ų | 83 | 128.3 Ų | 128.3 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | | | cis | 141.1 | 130.1 | -12.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 8 | G | 41.8 | Very low | 45.3 | Very low | 83 Ų | 83 | 131.6 Ų | 131.6 | 86% | 0.856 | 81% | 0.809 | S | S | * | * | | | trans | 83.6 | 155.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 9 | G | 43.2 | Very low | 45.4 | Very low | 70 Ų | 70 | 131.5 Ų | 131.5 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | | | trans | 125.3 | 28.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 10 | D | 45.4 | Very low | 45.3 | Very low | 145 Ų | 145 | 130.3 Ų | 130.3 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | | | trans | -35.1 | 149.6 | 145.6 | 43.1 | -68.7 | 0 | 0 | 0 | 114.6 | | |
| 11 | D | 50.7 | Low | 44.9 | Very low | 141 Ų | 141 | 133.2 Ų | 133.2 | 75% | 0.754 | 80% | 0.801 | S | S | * | * | | | cis | -157.5 | 165.6 | -22.1 | -157.7 | 22.6 | 0 | 0 | 0 | 109.8 | | |
| 12 | L | 52.4 | Low | 45.3 | Very low | 144 Ų | 144 | 130.6 Ų | 130.6 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | | | trans | 4.2 | 117.1 | 167.9 | -55.3 | 174.7 | 0 | 0 | 0 | 117.7 | | |
| 13 | G | 44.1 | Very low | 44.6 | Very low | 68 Ų | 68 | 131.9 Ų | 131.9 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | | | cis | 75 | 36.5 | 24.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | N15 | G13-N15 PolarHBondContact O-N 3.13Å; G13-N15 VanDerWaalsContact O-N 3.11Å |
| 14 | A | 41.9 | Very low | 44.4 | Very low | 104 Ų | 104 | 133.6 Ų | 133.6 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | | | trans | -56.9 | 111.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 15 | N | 43.7 | Very low | 43.9 | Very low | 144 Ų | 144 | 130.3 Ų | 130.3 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | | | trans | -102 | 109.7 | 171.6 | -134.1 | -74.7 | 0 | 0 | 0 | 107.8 | G13 E17 | G13-N15 PolarHBondContact O-N 3.13Å; G13-N15 VanDerWaalsContact O-N 3.11Å; N15-E17 PolarHBondContact O-N 3.04Å |
| 16 | D | 47.9 | Very low | 43.9 | Very low | 157 Ų | 157 | 131.5 Ų | 131.5 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | | | trans | -89.1 | 93.2 | 177.3 | -166 | 34.5 | 0 | 0 | 0 | 108.6 | M18 | D16-M18 PolarHBondContact O-N 3.48Å; D16-M18 VanDerWaalsContact O-N 3.12Å |
| 17 | E | 57.3 | Low | 43.6 | Very low | 153 Ų | 153 | 136.9 Ų | 136.9 | 72% | 0.715 | 80% | 0.798 | S | S | * | * | | | trans | -72.4 | 101.8 | -172.9 | -68.7 | -167.8 | 141.7 | 0 | 0 | 112 | N15 I19 | N15-E17 PolarHBondContact O-N 3.04Å; E17-I19 HydrophobicContact CB-CG1 4.49Å; E17-I19 PolarHBondContact O-N 3.33Å; E17-I19 VanDerWaalsContact O-N 3.13Å |
| 18 | M | 47.1 | Very low | 43.6 | Very low | 187 Ų | 187 | 142 Ų | 142 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | | | trans | -68.9 | 104.1 | 166.2 | -68.7 | -168.8 | -62.6 | 0 | 0 | 111.1 | D16 | D16-M18 PolarHBondContact O-N 3.48Å; D16-M18 VanDerWaalsContact O-N 3.12Å |
| 19 | I | 47.2 | Very low | 43.9 | Very low | 130 Ų | 130 | 146.1 Ų | 146.1 | 67% | 0.667 | 80% | 0.797 | S | S | * | * | | | trans | -129.5 | 133.4 | 167.8 | -48.6 | -179.3 | 0 | 0 | 0 | 109.8 | E17 F21 | E17-I19 HydrophobicContact CB-CG1 4.49Å; E17-I19 PolarHBondContact O-N 3.33Å; E17-I19 VanDerWaalsContact O-N 3.13Å; I19-F21 HydrophobicContact CG2-CD2 4.41Å; I19-F21 HydrophobicContact CG2-CE2 4.11Å |
| 20 | S | 43 | Very low | 43.9 | Very low | 108 Ų | 108 | 152.7 Ų | 152.7 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | | | trans | -114.9 | 131.7 | -171.9 | 55.1 | 0 | 0 | 0 | 0 | 113.8 | | |
| 21 | F | 37.2 | Very low | 43.5 | Very low | 191 Ų | 191 | 152.7 Ų | 152.7 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | | | trans | -140 | 131.8 | 166.2 | -77.4 | -90.2 | 0 | 0 | 0 | 106.9 | I19 | I19-F21 HydrophobicContact CG2-CD2 4.41Å; I19-F21 HydrophobicContact CG2-CE2 4.11Å |
| 22 | K | 42.5 | Very low | 43 | Very low | 185 Ų | 185 | 150.4 Ų | 150.4 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | cis | 71.9 | 122.8 | 19.3 | -155.9 | -174.6 | -178.9 | 177.1 | 0 | 113.8 | | |
| 23 | D | 40.2 | Very low | 42.4 | Very low | 132 Ų | 132 | 152.5 Ų | 152.5 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | | | cis | -165.8 | 156.7 | -15.1 | -170.5 | 12.1 | 0 | 0 | 0 | 107.9 | | |
| 24 | E | 41.5 | Very low | 42.3 | Very low | 190 Ų | 190 | 156.7 Ų | 156.7 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | | | trans | 55.6 | 152.2 | -178.5 | -56.3 | -163.3 | 105.4 | 0 | 0 | 117.7 | | |
| 25 | G | 34.9 | Very low | 42.5 | Very low | 77 Ų | 77 | 155.5 Ų | 155.5 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | | | trans | 136.6 | 89 | 171.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 26 | E | 37.7 | Very low | 42.6 | Very low | 191 Ų | 191 | 153 Ų | 153 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | | | trans | -23.3 | 130 | 168.8 | -57.2 | 171.4 | 152.2 | 0 | 0 | 118.7 | | |
| 27 | Q | 37.1 | Very low | 42.5 | Very low | 192 Ų | 192 | 149.4 Ų | 149.4 | 90% | 0.897 | 78% | 0.779 | S | S | * | * | | | trans | -155.1 | 113.9 | 133.8 | -153.3 | 151 | 93.3 | 0 | 0 | 113 | | |
| 28 | E | 38.8 | Very low | 42.1 | Very low | 191 Ų | 191 | 149.1 Ų | 149.1 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | | | trans | -85.5 | 112.7 | 171.5 | -59.5 | -178.7 | 112.3 | 0 | 0 | 110.7 | | |
| 29 | E | 48.3 | Very low | 42.3 | Very low | 169 Ų | 169 | 148.4 Ų | 148.4 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | | | trans | -163.6 | 61.9 | 160 | -128.7 | -179 | -160.1 | 0 | 0 | 115.7 | | |
| 30 | K | 42.3 | Very low | 42.9 | Very low | 208 Ų | 208 | 147.4 Ų | 147.4 | 90% | 0.904 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -162.3 | 38.4 | 166.3 | -116.5 | 140.4 | -163.4 | 156.5 | 0 | 118.3 | | |
| 31 | I | 37.6 | Very low | 43.6 | Very low | 145 Ų | 145 | 148 Ų | 148 | 74% | 0.744 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -130.6 | -3.7 | 177.6 | -21 | 179.3 | 0 | 0 | 0 | 114 | E33 | I31-E33 PolarHBondContact O-N 3.41Š|
| 32 | S | 41.3 | Very low | 44.3 | Very low | 93 Ų | 93 | 143.2 Ų | 143.2 | 65% | 0.65 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -79.1 | -17.6 | -159.5 | -41.5 | 0 | 0 | 0 | 0 | 116.3 | | |
| 33 | E | 39.4 | Very low | 45.2 | Very low | 187 Ų | 187 | 139.6 Ų | 139.6 | 87% | 0.874 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -81.9 | -21.9 | -170.7 | -161.7 | 167.8 | -166.5 | 0 | 0 | 113.8 | I31 | I31-E33 PolarHBondContact O-N 3.41Š|
| 34 | N | 41.1 | Very low | 46.2 | Very low | 157 Ų | 157 | 137.9 Ų | 137.9 | 84% | 0.84 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -97 | 0.3 | -174.9 | -119 | 34.2 | 0 | 0 | 0 | 114.7 | | |
| 35 | V | 46.4 | Very low | 46.9 | Very low | 78 Ų | 78 | 134.9 Ų | 134.9 | 47% | 0.473 | 71% | 0.706 | S | S | . | * | S | Bend | trans | -105.8 | 1.6 | -171.7 | -178 | 0 | 0 | 0 | 0 | 112.8 | | |
| 36 | S | 45.5 | Very low | 47.7 | Very low | 92 Ų | 92 | 134.5 Ų | 134.5 | 64% | 0.643 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -89.5 | -16.1 | 178.5 | -59.3 | 0 | 0 | 0 | 0 | 114.3 | | |
| 37 | A | 46.9 | Very low | 48.8 | Very low | 82 Ų | 82 | 130 Ų | 130 | 68% | 0.678 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -5.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 38 | E | 47.7 | Very low | 50 | Low | 147 Ų | 147 | 127.7 Ų | 127.7 | 69% | 0.687 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -38.6 | -179.2 | -169.6 | 168.9 | -145.6 | 0 | 0 | 112.6 | D40 L41 | E38-D40 VanDerWaalsContact C-N 3.33Å; E38-D40 PolarHBondContact O-N 3.16Å; E38-L41 PolarHBondContact O-N 3.34Å |
| 39 | R | 51.6 | Low | 50.6 | Low | 172 Ų | 172 | 123.5 Ų | 123.5 | 65% | 0.649 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -35.9 | -175.3 | -71 | -176.3 | 168.9 | 97.4 | -4.7 | 114 | L41 D42 D43 | R39-L41 PolarHBondContact O-N 3.36Å; R39-L41 VanDerWaalsContact O-N 3.12Å; R39-D42 PolarHBondContact O-N 2.9Å; R39-D43 PolarHBondContact O-N 3.44Å |
| 40 | D | 60.9 | Low | 50.4 | Low | 109 Ų | 109 | 122.5 Ų | 122.5 | 58% | 0.583 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -56.5 | -28 | 179.4 | -168.8 | 55.5 | 0 | 0 | 0 | 112.9 | E38 V44 | E38-D40 VanDerWaalsContact C-N 3.33Å; E38-D40 PolarHBondContact O-N 3.16Å; D40-V44 VanDerWaalsContact O-CG2 3.29Å; D40-V44 WeakPolarHBondContact O-CG2 3.45Å; D40-V44 PolarHBondContact O-N 3.33Å |
| 41 | L | 56 | Low | 50.6 | Low | 121 Ų | 121 | 121.9 Ų | 121.9 | 63% | 0.634 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -76 | -21.3 | 178.5 | -62.7 | 178.7 | 0 | 0 | 0 | 113.9 | E38 R39 K45 | E38-L41 PolarHBondContact O-N 3.34Å; R39-L41 PolarHBondContact O-N 3.36Å; R39-L41 VanDerWaalsContact O-N 3.12Å; L41-K45 WeakPolarHBondContact O-CB 3.47Å; L41-K45 PolarHBondContact O-N 3.31Å |
| 42 | D | 52.7 | Low | 51.3 | Low | 89 Ų | 89 | 119.5 Ų | 119.5 | 48% | 0.476 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -85.3 | -36.1 | 176.3 | -83.6 | -46.7 | 0 | 0 | 0 | 112.1 | R39 K45 S46 | R39-D42 PolarHBondContact O-N 2.9Å; D42-K45 CarbonylContact O-C 3.58Å; D42-K45 PolarHBondContact O-N 2.92Å; D42-K45 VanDerWaalsContact O-N 3.13Å; D42-K45 IonicContact OD1-NZ 3.28Å; D42-K45 PolarHBondContact OD1-NZ 3.43Å; D42-S46 PolarHBondContact O-N 3.01Å; D42-S46 PolarHBondContact O-OG 3.13Å |
| 43 | D | 60.4 | Low | 51.3 | Low | 109 Ų | 109 | 124.7 Ų | 124.7 | 58% | 0.583 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -68.5 | -38.5 | 173.8 | -73 | -44.6 | 0 | 0 | 0 | 112.1 | R39 K45 S46 S47 | R39-D43 PolarHBondContact O-N 3.44Å; D43-K45 PolarHBondContact O-N 2.77Å; D43-S46 WeakPolarHBondContact CA-OG 3.4Å; D43-S46 PolarHBondContact O-N 3.49Å; D43-S46 PolarHBondContact O-OG 3.14Å; D43-S46 VanDerWaalsContact O-OG 3.05Å; D43-S47 VanDerWaalsContact O-CB 3.23Å; D43-S47 WeakPolarHBondContact O-CB 3.28Å; D43-S47 PolarHBondContact O-N 3.3Å |
| 44 | V | 62.8 | Low | 51 | Low | 96 Ų | 96 | 122.3 Ų | 122.3 | 58% | 0.582 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -64.3 | -24.4 | 170.9 | 171.3 | 0 | 0 | 0 | 0 | 112.3 | D40 | D40-V44 VanDerWaalsContact O-CG2 3.29Å; D40-V44 WeakPolarHBondContact O-CG2 3.45Å; D40-V44 PolarHBondContact O-N 3.33Å |
| 45 | K | 54.8 | Low | 51 | Low | 128 Ų | 128 | 123 Ų | 123 | 56% | 0.557 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -88 | -37.1 | 178.4 | -166.4 | -175 | 74 | -141.1 | 0 | 112.6 | L41 D42 D43 L48 | L41-K45 WeakPolarHBondContact O-CB 3.47Å; L41-K45 PolarHBondContact O-N 3.31Å; D42-K45 CarbonylContact O-C 3.58Å; D42-K45 PolarHBondContact O-N 2.92Å; D42-K45 VanDerWaalsContact O-N 3.13Å; D42-K45 IonicContact OD1-NZ 3.28Å; D42-K45 PolarHBondContact OD1-NZ 3.43Å; D43-K45 PolarHBondContact O-N 2.77Å; K45-L48 PolarHBondContact O-N 2.95Å |
| 46 | S | 53.3 | Low | 50.4 | Low | 69 Ų | 69 | 124 Ų | 124 | 48% | 0.483 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -68.1 | -39.9 | 174.4 | 65.1 | 0 | 0 | 0 | 0 | 111.2 | D42 D43 L48 V49 | D42-S46 PolarHBondContact O-N 3.01Å; D42-S46 PolarHBondContact O-OG 3.13Å; D43-S46 WeakPolarHBondContact CA-OG 3.4Å; D43-S46 PolarHBondContact O-N 3.49Å; D43-S46 PolarHBondContact O-OG 3.14Å; D43-S46 VanDerWaalsContact O-OG 3.05Å; S46-L48 PolarHBondContact O-N 3.16Å; S46-V49 PolarHBondContact O-N 3.14Å; S46-V49 VanDerWaalsContact O-N 3.14Å |
| 47 | S | 60 | Low | 49.7 | Very low | 95 Ų | 95 | 125.7 Ų | 125.7 | 66% | 0.664 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | -11 | 173.7 | -175.9 | 0 | 0 | 0 | 0 | 114.6 | D43 | D43-S47 VanDerWaalsContact O-CB 3.23Å; D43-S47 WeakPolarHBondContact O-CB 3.28Å; D43-S47 PolarHBondContact O-N 3.3Å |
| 48 | L | 61.7 | Low | 48.9 | Very low | 144 Ų | 144 | 127.5 Ų | 127.5 | 75% | 0.754 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | -6.6 | -179.5 | -166.3 | 56.7 | 0 | 0 | 0 | 113.4 | K45 S46 | K45-L48 PolarHBondContact O-N 2.95Å; S46-L48 PolarHBondContact O-N 3.16Å |
| 49 | V | 52.2 | Low | 48 | Very low | 103 Ų | 103 | 125.8 Ų | 125.8 | 62% | 0.624 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -145.6 | 65.8 | -173.1 | -73.2 | 0 | 0 | 0 | 0 | 114.4 | S46 | S46-V49 PolarHBondContact O-N 3.14Å; S46-V49 VanDerWaalsContact O-N 3.14Å |
| 50 | N | 43.6 | Very low | 46.8 | Very low | 149 Ų | 149 | 124.4 Ų | 124.4 | 80% | 0.797 | 71% | 0.708 | S | S | * | * | | | | 169.7 | 99.3 | 129.4 | -94.2 | 18.6 | 0 | 0 | 0 | 112 | | |
| 51 | E | 47.3 | Very low | 45.5 | Very low | 194 Ų | 194 | 123.5 Ų | 123.5 | 91% | 0.907 | 71% | 0.71 | S | S | * | * | | | trans | -121.5 | 24.8 | 170.3 | -63.8 | -163.6 | 124.7 | 0 | 0 | 112.4 | | |
| 52 | S | 51.6 | Low | 44.4 | Very low | 96 Ų | 96 | 125 Ų | 125 | 67% | 0.671 | 71% | 0.714 | S | S | * | * | | | trans | -143.9 | 76.8 | -174.8 | 64 | 0 | 0 | 0 | 0 | 112.8 | | |
| 53 | E | 42.3 | Very low | 43.4 | Very low | 202 Ų | 202 | 128.6 Ų | 128.6 | 94% | 0.944 | 73% | 0.728 | S | S | * | * | | | trans | 175.2 | 93 | 144.3 | -100.2 | 176.1 | 133.4 | 0 | 0 | 112 | | |
| 54 | N | 33 | Very low | 42 | Very low | 137 Ų | 137 | 128.1 Ų | 128.1 | 73% | 0.733 | 74% | 0.739 | S | S | * | * | | | | -175.4 | 113.4 | 129.1 | -177.2 | 18.3 | 0 | 0 | 0 | 110.2 | S56 | N54-S56 PolarHBondContact OD1-N 2.99Š|
| 55 | N | 39.4 | Very low | 40.8 | Very low | 170 Ų | 170 | 132.1 Ų | 132.1 | 91% | 0.909 | 75% | 0.751 | S | S | * | * | | | trans | -128.7 | 87.7 | 167.5 | -113.5 | -7.7 | 0 | 0 | 0 | 108.3 | | |
| 56 | S | 34.7 | Very low | 39.7 | Very low | 101 Ų | 101 | 136.7 Ų | 136.7 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | | | trans | -159.3 | 110.9 | 168.6 | -82.3 | 0 | 0 | 0 | 0 | 112.8 | N54 | N54-S56 PolarHBondContact OD1-N 2.99Š|
| 57 | S | 31.4 | Very low | 39 | Very low | 126 Ų | 126 | 143.5 Ų | 143.5 | 88% | 0.881 | 78% | 0.78 | S | S | * | * | | | trans | 18.9 | 120.5 | 156.5 | -54.2 | 0 | 0 | 0 | 0 | 122 | | |
| 58 | S | 28.8 | Very low | 37.7 | Very low | 120 Ų | 120 | 144.6 Ų | 144.6 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | | | | -160.9 | 161.9 | 107.6 | 64.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 59 | S | 29.4 | Very low | 36.1 | Very low | 111 Ų | 111 | 146.3 Ų | 146.3 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | | | trans | -51.3 | 160.2 | 174.6 | -45.4 | 0 | 0 | 0 | 0 | 113.4 | | |
| 60 | D | 27.6 | Very low | 35.2 | Very low | 144 Ų | 144 | 146.9 Ų | 146.9 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | | | | -164.9 | 153.7 | 53.6 | -169.3 | 28.9 | 0 | 0 | 0 | 116.5 | | |
| 61 | S | 32.6 | Very low | 34.4 | Very low | 90 Ų | 90 | 150.6 Ų | 150.6 | 63% | 0.629 | 80% | 0.796 | S | S | * | * | | | trans | 45.9 | 125.4 | 152.4 | -70.1 | 0 | 0 | 0 | 0 | 125.8 | | |
| 62 | E | 32.6 | Very low | 34.1 | Very low | 153 Ų | 153 | 146.7 Ų | 146.7 | 72% | 0.715 | 79% | 0.787 | S | S | * | * | | | trans | 83.2 | 117.7 | 134.5 | -63.4 | -100.5 | 73.1 | 0 | 0 | 123 | | |
| 63 | Q | 32.1 | Very low | 33.3 | Very low | 164 Ų | 164 | 148.5 Ų | 148.5 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | | | trans | 37.9 | 113.5 | 140.3 | -59.6 | -178.6 | 59.6 | 0 | 0 | 122 | | |
| 64 | A | 31.6 | Very low | 33 | Very low | 98 Ų | 98 | 143.1 Ų | 143.1 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | | | | -172.3 | 140.3 | 110.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 65 | E | 36.3 | Very low | 33.2 | Very low | 181 Ų | 181 | 144.1 Ų | 144.1 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | | | trans | -77.2 | 122.4 | 177.7 | 177.5 | -174 | -164.8 | 0 | 0 | 113.3 | | |
| 66 | R | 32.4 | Very low | 33.1 | Very low | 224 Ų | 224 | 140.3 Ų | 140.3 | 85% | 0.845 | 76% | 0.761 | S | S | * | * | | | trans | -169 | 135.1 | 140.6 | -116.4 | 164.4 | -75.2 | 111.9 | -0.1 | 114.8 | | |
| 67 | R | 37.9 | Very low | 33.5 | Very low | 211 Ų | 211 | 144.9 Ų | 144.9 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | | | trans | -84.5 | 141.7 | 174.8 | 174.8 | -174.8 | -175.8 | 146.8 | 1.8 | 112.1 | | |
| 68 | P | 32.9 | Very low | 34 | Very low | 119 Ų | 119 | 145.5 Ų | 145.5 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | | | trans | -113.2 | 124.3 | 150.7 | 33.3 | -24.4 | 0 | 0 | 0 | 113.2 | | |
| 69 | Q | 28.6 | Very low | 34.4 | Very low | 179 Ų | 179 | 147.7 Ų | 147.7 | 84% | 0.836 | 75% | 0.748 | S | S | * | * | | | trans | -5.7 | 128.8 | 155.5 | -160.9 | 168.3 | 9.8 | 0 | 0 | 120.1 | | |
| 70 | T | 32.3 | Very low | 35.1 | Very low | 116 Ų | 116 | 147.6 Ų | 147.6 | 71% | 0.712 | 74% | 0.743 | S | S | * | * | | | trans | -71.4 | 137.3 | 165.2 | 43.9 | 0 | 0 | 0 | 0 | 112 | | |
| 71 | R | 28.6 | Very low | 36 | Very low | 227 Ų | 227 | 150.6 Ų | 150.6 | 86% | 0.857 | 74% | 0.743 | S | S | * | * | | | trans | -91.7 | 131.3 | 170.8 | -103.6 | -172.8 | 173.5 | 171.7 | -1.2 | 111.7 | | |
| 72 | P | 40.2 | Very low | 36.4 | Very low | 111 Ų | 111 | 151.2 Ų | 151.2 | 72% | 0.721 | 74% | 0.739 | S | S | * | * | | | trans | -101.2 | 80.7 | -174.4 | 38.1 | -33.6 | 0 | 0 | 0 | 113.5 | | |
| 73 | D | 33.8 | Very low | 36.9 | Very low | 135 Ų | 135 | 153.2 Ų | 153.2 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | | | trans | -136 | -19.5 | 175.6 | -85.6 | -62.1 | 0 | 0 | 0 | 115.1 | | |
| 74 | S | 37.9 | Very low | 37.6 | Very low | 88 Ų | 88 | 153.4 Ų | 153.4 | 62% | 0.615 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -33.9 | -175 | 47.1 | 0 | 0 | 0 | 0 | 114.8 | S76 Y77 | S74-S76 PolarHBondContact O-N 3Å; S74-Y77 PolarHBondContact O-N 3.04Å |
| 75 | E | 37.2 | Very low | 38.5 | Very low | 158 Ų | 158 | 150.6 Ų | 150.6 | 74% | 0.738 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -65.8 | -12 | -168.4 | -58.9 | -173.3 | 144.2 | 0 | 0 | 114.9 | | |
| 76 | S | 36.5 | Very low | 38.9 | Very low | 91 Ų | 91 | 147.3 Ų | 147.3 | 64% | 0.636 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -74.4 | -27.5 | -177.6 | 66.4 | 0 | 0 | 0 | 0 | 114 | S74 | S74-S76 PolarHBondContact O-N 3Å |
| 77 | Y | 42.7 | Very low | 39.6 | Very low | 197 Ų | 197 | 140.1 Ų | 140.1 | 77% | 0.773 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -94.6 | -35.5 | -167.5 | -149.5 | -98.7 | 0 | 0 | 0 | 114.1 | S74 | S74-Y77 PolarHBondContact O-N 3.04Å |
| 78 | E | 41.1 | Very low | 40 | Very low | 138 Ų | 138 | 136.4 Ų | 136.4 | 65% | 0.645 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -66 | -42.5 | 179.5 | -67.7 | -175.5 | 114.3 | 0 | 0 | 111.8 | T80 R81 D82 | E78-T80 PolarHBondContact O-N 3.14Å; E78-R81 WeakPolarHBondContact O-CA 3.4Å; E78-R81 WeakPolarHBondContact O-CB 3.23Å; E78-R81 PolarHBondContact O-N 2.9Å; E78-D82 PolarHBondContact O-N 2.95Å |
| 79 | K | 38.1 | Very low | 40.5 | Very low | 167 Ų | 167 | 139.9 Ų | 139.9 | 73% | 0.726 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -57 | -21 | -178.2 | -163.5 | 166.2 | -171.8 | 166.3 | 0 | 114.9 | | |
| 80 | T | 43.6 | Very low | 41.4 | Very low | 109 Ų | 109 | 140.9 Ų | 140.9 | 67% | 0.669 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -82.7 | -26.3 | 174.3 | -58.1 | 0 | 0 | 0 | 0 | 112.5 | E78 | E78-T80 PolarHBondContact O-N 3.14Å |
| 81 | R | 46 | Very low | 42 | Very low | 206 Ų | 206 | 143 Ų | 143 | 78% | 0.777 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -82.3 | -39.9 | -177.4 | -149.6 | 170.1 | 82.3 | 153.8 | 2.2 | 112.1 | E78 F84 | E78-R81 WeakPolarHBondContact O-CA 3.4Å; E78-R81 WeakPolarHBondContact O-CB 3.23Å; E78-R81 PolarHBondContact O-N 2.9Å; R81-F84 PolarHBondContact O-N 2.97Å |
| 82 | D | 42.3 | Very low | 42.6 | Very low | 103 Ų | 103 | 139.9 Ų | 139.9 | 55% | 0.551 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -70.3 | -34.3 | -177 | -56.1 | -44.5 | 0 | 0 | 0 | 112.7 | E78 F84 G85 E86 | E78-D82 PolarHBondContact O-N 2.95Å; D82-F84 PolarHBondContact O-N 3.01Å; D82-F84 VanDerWaalsContact O-N 3.13Å; D82-G85 WeakPolarHBondContact O-CA 3.45Å; D82-G85 PolarHBondContact O-N 2.93Å; D82-E86 PolarHBondContact O-N 2.83Å |
| 83 | Y | 42.8 | Very low | 42.2 | Very low | 196 Ų | 196 | 142.7 Ų | 142.7 | 77% | 0.769 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -59.9 | -26.3 | 177.2 | -147.3 | -89.5 | 0 | 0 | 0 | 113 | | |
| 84 | F | 47.7 | Very low | 42.2 | Very low | 168 Ų | 168 | 139.7 Ų | 139.7 | 74% | 0.737 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -83.2 | -26.1 | 174.5 | -160.4 | -93.9 | 0 | 0 | 0 | 112.8 | R81 D82 | R81-F84 PolarHBondContact O-N 2.97Å; D82-F84 PolarHBondContact O-N 3.01Å; D82-F84 VanDerWaalsContact O-N 3.13Å |
| 85 | G | 49.4 | Very low | 42.3 | Very low | 39 Ų | 39 | 139 Ų | 139 | 40% | 0.402 | 70% | 0.698 | S | S | . | * | H | α-helix | trans | -75.2 | -46.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | D82 A87 L88 R89 | D82-G85 WeakPolarHBondContact O-CA 3.45Å; D82-G85 PolarHBondContact O-N 2.93Å; G85-A87 VanDerWaalsContact C-N 3.3Å; G85-A87 PolarHBondContact O-N 3.46Å; G85-L88 PolarHBondContact O-N 3.35Å; G85-L88 VanDerWaalsContact O-N 3.16Å; G85-R89 PolarHBondContact O-N 3.13Å |
| 86 | E | 44.7 | Very low | 42.7 | Very low | 112 Ų | 112 | 141.5 Ų | 141.5 | 52% | 0.523 | 71% | 0.706 | S | S | . | * | H | α-helix | trans | -56.3 | -43.8 | 178.1 | -170.8 | 70.8 | -140.1 | 0 | 0 | 111.4 | D82 L88 R89 R90 | D82-E86 PolarHBondContact O-N 2.83Å; E86-L88 VanDerWaalsContact C-N 3.31Å; E86-L88 PolarHBondContact O-N 3.39Å; E86-R89 PolarHBondContact O-N 3.43Å; E86-R90 IonicContact OE1-CZ 3.71Å; E86-R90 IonicContact OE1-NE 3.48Å; E86-R90 PolarHBondContact OE1-NE 3.05Å; E86-R90 IonicContact OE1-NH2 3.04Å; E86-R90 PolarHBondContact OE1-NH2 3.17Å |
| 87 | A | 46.8 | Very low | 42.7 | Very low | 73 Ų | 73 | 146.1 Ų | 146.1 | 60% | 0.603 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -64 | -30.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | G85 | G85-A87 VanDerWaalsContact C-N 3.3Å; G85-A87 PolarHBondContact O-N 3.46Å |
| 88 | L | 46.9 | Very low | 42.2 | Very low | 133 Ų | 133 | 144.8 Ų | 144.8 | 70% | 0.696 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -86.2 | -22.2 | -177.2 | -170.7 | 59.1 | 0 | 0 | 0 | 112.9 | G85 E86 | G85-L88 PolarHBondContact O-N 3.35Å; G85-L88 VanDerWaalsContact O-N 3.16Å; E86-L88 VanDerWaalsContact C-N 3.31Å; E86-L88 PolarHBondContact O-N 3.39Å |
| 89 | R | 43 | Very low | 41.9 | Very low | 192 Ų | 192 | 143.7 Ų | 143.7 | 73% | 0.725 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -75.7 | -26.7 | -178.9 | -72.5 | -99.6 | 64.2 | 131.1 | -5.8 | 113.6 | G85 E86 Q91 | G85-R89 PolarHBondContact O-N 3.13Å; E86-R89 PolarHBondContact O-N 3.43Å; R89-Q91 PolarHBondContact O-N 3.48Å; R89-Q91 VanDerWaalsContact O-N 3.13Å |
| 90 | R | 47.2 | Very low | 42.1 | Very low | 199 Ų | 199 | 140.7 Ų | 140.7 | 75% | 0.751 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | 20.3 | -175.4 | -63.7 | -169.9 | 179.1 | -84.1 | -11.6 | 115.5 | E86 | E86-R90 IonicContact OE1-CZ 3.71Å; E86-R90 IonicContact OE1-NE 3.48Å; E86-R90 PolarHBondContact OE1-NE 3.05Å; E86-R90 IonicContact OE1-NH2 3.04Å; E86-R90 PolarHBondContact OE1-NH2 3.17Å |
| 91 | Q | 45.8 | Very low | 41.6 | Very low | 160 Ų | 160 | 144 Ų | 144 | 75% | 0.748 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.7 | -4 | -179.2 | -112.2 | -98.9 | -118.3 | 0 | 0 | 114.3 | R89 | R89-Q91 PolarHBondContact O-N 3.48Å; R89-Q91 VanDerWaalsContact O-N 3.13Å |
| 92 | Q | 41.3 | Very low | 41.4 | Very low | 162 Ų | 162 | 144.9 Ų | 144.9 | 76% | 0.757 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -137.7 | 82.9 | 177.6 | -71.6 | -170.6 | -15.4 | 0 | 0 | 111.7 | | |
| 93 | D | 30.5 | Very low | 41.9 | Very low | 170 Ų | 170 | 145.7 Ų | 145.7 | 91% | 0.909 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -168.6 | 160.3 | 139 | -112.5 | -35.7 | 0 | 0 | 0 | 111.7 | | |
| 94 | G | 34.6 | Very low | 41.2 | Very low | 73 Ų | 73 | 139.1 Ų | 139.1 | 75% | 0.753 | 73% | 0.734 | S | S | * | * | | | trans | 47.9 | 104.6 | 156.8 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 95 | G | 41 | Very low | 40.6 | Very low | 74 Ų | 74 | 141.1 Ų | 141.1 | 76% | 0.763 | 74% | 0.738 | S | S | * | * | | | trans | -75.3 | -158.9 | 172 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 96 | F | 44.6 | Very low | 39.7 | Very low | 209 Ų | 209 | 146.3 Ų | 146.3 | 92% | 0.917 | 75% | 0.752 | S | S | * | * | | | trans | 77.2 | 93.2 | -170 | -68.2 | -96.3 | 0 | 0 | 0 | 116.5 | | |
| 97 | F | 36.2 | Very low | 39.2 | Very low | 188 Ų | 188 | 149.6 Ų | 149.6 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | | | | -153 | 156 | 109.8 | -131.8 | -105.9 | 0 | 0 | 0 | 113.3 | | |
| 98 | K | 33.3 | Very low | 39.1 | Very low | 169 Ų | 169 | 153.4 Ų | 153.4 | 74% | 0.735 | 77% | 0.774 | S | S | * | * | | | trans | -58.3 | 147.5 | -163.9 | -55.1 | 168.4 | 179.5 | -180 | 0 | 116 | | |
| 99 | S | 34.2 | Very low | 38.7 | Very low | 115 Ų | 115 | 155.2 Ų | 155.2 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | | | trans | -69.5 | 154.3 | 151.6 | -54.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 100 | P | 41.7 | Very low | 38.6 | Very low | 105 Ų | 105 | 155 Ų | 155 | 68% | 0.682 | 79% | 0.786 | S | S | * | * | | | | -141.2 | 133.7 | 128.9 | 23.6 | -3.6 | 0 | 0 | 0 | 115.5 | | |
| 101 | H | 32.7 | Very low | 38.8 | Very low | 178 Ų | 178 | 150.8 Ų | 150.8 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | | | trans | 37.4 | 114.2 | 138.2 | -44.8 | -62.6 | 0 | 0 | 0 | 122.4 | | |
| 102 | Y | 42.2 | Very low | 38 | Very low | 225 Ų | 225 | 149.7 Ų | 149.7 | 88% | 0.882 | 78% | 0.783 | S | S | * | * | | | | -83.2 | 166.7 | 121.9 | -105.7 | -116.1 | 0 | 0 | 0 | 108.5 | | |
| 103 | P | 52.6 | Low | 37.9 | Very low | 120 Ų | 120 | 148.6 Ų | 148.6 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | | | cis | -130.6 | -174.4 | -4.1 | 43.1 | -28.4 | 0 | 0 | 0 | 114.3 | | |
| 104 | G | 29 | Very low | 38.2 | Very low | 58 Ų | 58 | 146.5 Ų | 146.5 | 60% | 0.598 | 78% | 0.776 | S | S | * | * | | | trans | 146.3 | 113.2 | 144.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 105 | Y | 35.8 | Very low | 38.4 | Very low | 209 Ų | 209 | 150.7 Ų | 150.7 | 82% | 0.82 | 78% | 0.781 | S | S | * | * | | | trans | 58.9 | 165.4 | 139.8 | -64.1 | -65.9 | 0 | 0 | 0 | 120.7 | | |
| 106 | Q | 30 | Very low | 38.7 | Very low | 149 Ų | 149 | 152.4 Ų | 152.4 | 70% | 0.696 | 78% | 0.779 | S | S | * | * | | | cis | -155.3 | 136.4 | -2.5 | -135 | 143.1 | 1.8 | 0 | 0 | 113.7 | | |
| 107 | F | 34.3 | Very low | 38.3 | Very low | 180 Ų | 180 | 153 Ų | 153 | 79% | 0.789 | 78% | 0.776 | S | S | * | * | | | trans | 54.7 | 169.7 | 140.8 | -92.2 | -101.7 | 0 | 0 | 0 | 125.1 | | |
| 108 | L | 44.3 | Very low | 38.6 | Very low | 154 Ų | 154 | 151.5 Ų | 151.5 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | | | trans | 76.2 | 129.8 | -176.7 | -49.5 | 177.5 | 0 | 0 | 0 | 114.2 | | |
| 109 | M | 37.6 | Very low | 38.5 | Very low | 171 Ų | 171 | 147.5 Ų | 147.5 | 84% | 0.842 | 77% | 0.769 | S | S | * | * | | | cis | -155.3 | 158.6 | 0.1 | -140.4 | 164.3 | 63.4 | 0 | 0 | 111.4 | | |
| 110 | F | 41.3 | Very low | 38.5 | Very low | 186 Ų | 186 | 149.6 Ų | 149.6 | 82% | 0.816 | 77% | 0.772 | S | S | * | * | | | trans | -76.7 | 169.2 | 166.4 | -76.2 | -70.2 | 0 | 0 | 0 | 110.4 | | |
| 111 | P | 52.6 | Low | 38.1 | Very low | 112 Ų | 112 | 148.1 Ų | 148.1 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | | | cis | -152.8 | 172.4 | 31.9 | 46.9 | -26.4 | 0 | 0 | 0 | 121.2 | | |
| 112 | D | 28.6 | Very low | 38.4 | Very low | 136 Ų | 136 | 145.2 Ų | 145.2 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | | | trans | 78.2 | 154.7 | 138.3 | -108.9 | -25.5 | 0 | 0 | 0 | 126.3 | | |
| 113 | L | 39.3 | Very low | 38.2 | Very low | 140 Ų | 140 | 142.9 Ų | 142.9 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | | | trans | 33.9 | 113.1 | 159.2 | -98.6 | 62.1 | 0 | 0 | 0 | 117.5 | | |
| 114 | T | 36.6 | Very low | 37.4 | Very low | 126 Ų | 126 | 141.9 Ų | 141.9 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | | | cis | -158.9 | 131.7 | 46.6 | 38.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 115 | N | 38.8 | Very low | 38 | Very low | 161 Ų | 161 | 145.6 Ų | 145.6 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | | | trans | -159.9 | 100 | 167.9 | -145.1 | -14.1 | 0 | 0 | 0 | 112 | | |
| 116 | P | 46.5 | Very low | 38.1 | Very low | 110 Ų | 110 | 140.8 Ų | 140.8 | 71% | 0.714 | 78% | 0.783 | S | S | * | * | | | trans | -107.9 | 82.5 | 179.7 | 36.6 | -27.1 | 0 | 0 | 0 | 112.1 | | |
| 117 | Y | 36.2 | Very low | 38.3 | Very low | 220 Ų | 220 | 138.1 Ų | 138.1 | 86% | 0.863 | 79% | 0.787 | S | S | * | * | | | | 179.1 | 157 | 110.1 | -108.9 | -88.7 | 0 | 0 | 0 | 112.7 | | |
| 118 | L | 42.8 | Very low | 38.5 | Very low | 158 Ų | 158 | 140 Ų | 140 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | | | trans | -83.1 | 173.5 | 178.8 | -58.4 | 165.5 | 0 | 0 | 0 | 110.1 | | |
| 119 | S | 31.3 | Very low | 38.2 | Very low | 84 Ų | 84 | 139.6 Ų | 139.6 | 59% | 0.587 | 79% | 0.792 | S | S | * | * | | | cis | -163.4 | 167.1 | 22 | -157.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 120 | N | 34 | Very low | 38.2 | Very low | 160 Ų | 160 | 140.8 Ų | 140.8 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | | | trans | 24.7 | 141.7 | 153.3 | -60.2 | -15.8 | 0 | 0 | 0 | 120.9 | | |
| 121 | G | 33.2 | Very low | 38 | Very low | 74 Ų | 74 | 140.1 Ų | 140.1 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | | | cis | 170.9 | 163.6 | 6.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 122 | S | 39 | Very low | 37.3 | Very low | 116 Ų | 116 | 141.9 Ų | 141.9 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | | | trans | -88.7 | 133.6 | -167.8 | 55.4 | 0 | 0 | 0 | 0 | 114.9 | | |
| 123 | L | 38.5 | Very low | 37.8 | Very low | 176 Ų | 176 | 143.9 Ų | 143.9 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | | | trans | -144.5 | 138.1 | 158.1 | -78.1 | -176.6 | 0 | 0 | 0 | 112.7 | | |
| 124 | S | 35.2 | Very low | 37.4 | Very low | 100 Ų | 100 | 145 Ų | 145 | 70% | 0.699 | 80% | 0.798 | S | S | * | * | | | trans | -11.3 | 125.4 | 170.3 | -168.3 | 0 | 0 | 0 | 0 | 120.5 | S126 | S124-S126 PolarHBondContact O-N 3.27Å; S124-S126 VanDerWaalsContact O-N 3.14Å |
| 125 | P | 42.3 | Very low | 37.4 | Very low | 135 Ų | 135 | 150 Ų | 150 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | | | trans | -81.1 | 83.7 | 163.2 | 34.1 | -32.8 | 0 | 0 | 0 | 111.5 | | |
| 126 | S | 37.3 | Very low | 37.6 | Very low | 108 Ų | 108 | 148.2 Ų | 148.2 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | | | trans | -90 | 178.3 | 163 | -165.8 | 0 | 0 | 0 | 0 | 111.2 | S124 | S124-S126 PolarHBondContact O-N 3.27Å; S124-S126 VanDerWaalsContact O-N 3.14Å |
| 127 | A | 34.4 | Very low | 37.4 | Very low | 93 Ų | 93 | 150.7 Ų | 150.7 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | | | trans | 65.4 | 99.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 128 | R | 38.2 | Very low | 37.5 | Very low | 220 Ų | 220 | 147.9 Ų | 147.9 | 83% | 0.83 | 81% | 0.805 | S | S | * | * | | | trans | -80.1 | 127.4 | 159 | -68.8 | 173.3 | 169.8 | 175.1 | -1.7 | 110 | Y130 | R128-Y130 HydrophobicContact CB-CD2 4.15Å; R128-Y130 PolarHBondContact O-N 3.21Å |
| 129 | T | 37.7 | Very low | 37.1 | Very low | 145 Ų | 145 | 147.6 Ų | 147.6 | 89% | 0.89 | 81% | 0.805 | S | S | * | * | | | trans | -87.1 | 97 | 163.9 | 39.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 130 | Y | 37.5 | Very low | 37.4 | Very low | 196 Ų | 196 | 149.3 Ų | 149.3 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | | | trans | -101.8 | 118.4 | 170 | -101.8 | -87.4 | 0 | 0 | 0 | 110.6 | R128 Q132 | R128-Y130 HydrophobicContact CB-CD2 4.15Å; R128-Y130 PolarHBondContact O-N 3.21Å; Y130-Q132 PolarHBondContact O-N 3.05Å |
| 131 | L | 37.3 | Very low | 37.9 | Very low | 172 Ų | 172 | 148 Ų | 148 | 90% | 0.901 | 81% | 0.812 | S | S | * | * | | | trans | -65.5 | 119.4 | 168.7 | -87.8 | 153.3 | 0 | 0 | 0 | 110.1 | M133 | L131-M133 PolarHBondContact O-N 3.42Š|
| 132 | Q | 38.7 | Very low | 37.9 | Very low | 149 Ų | 149 | 148.1 Ų | 148.1 | 70% | 0.696 | 81% | 0.813 | S | S | * | * | | | trans | -77 | 102 | 174.6 | -176 | -172.6 | 66.8 | 0 | 0 | 110.3 | Y130 K134 | Y130-Q132 PolarHBondContact O-N 3.05Å; Q132-K134 HydrophobicContact CG-CB 4.23Å; Q132-K134 PolarHBondContact O-N 3.35Å |
| 133 | M | 38.4 | Very low | 37.9 | Very low | 179 Ų | 179 | 149 Ų | 149 | 88% | 0.882 | 82% | 0.819 | S | S | * | * | | | trans | -74.7 | 106.1 | 157.3 | -70.7 | -175 | 176.5 | 0 | 0 | 108.6 | L131 | L131-M133 PolarHBondContact O-N 3.42Š|
| 134 | K | 32.3 | Very low | 37.6 | Very low | 163 Ų | 163 | 145.3 Ų | 145.3 | 71% | 0.709 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -98 | 119 | 178.7 | -177.2 | 155.4 | 57.9 | -170.4 | 0 | 110.1 | Q132 | Q132-K134 HydrophobicContact CG-CB 4.23Å; Q132-K134 PolarHBondContact O-N 3.35Å |
| 135 | W | 35.1 | Very low | 37.6 | Very low | 230 Ų | 230 | 143.8 Ų | 143.8 | 87% | 0.871 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 142.6 | 170.8 | -66.9 | 96 | 0 | 0 | 0 | 110.1 | L137 | W135-L137 PolarHBondContact O-N 3.26Š|
| 136 | P | 44.8 | Very low | 37.4 | Very low | 125 Ų | 125 | 145.6 Ų | 145.6 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 123.5 | 168.9 | -16.4 | 30.6 | 0 | 0 | 0 | 109.9 | | |
| 137 | L | 40.7 | Very low | 37.2 | Very low | 162 Ų | 162 | 149.1 Ų | 149.1 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 142.2 | 162.7 | -172.8 | 62.9 | 0 | 0 | 0 | 107.9 | W135 | W135-L137 PolarHBondContact O-N 3.26Š|
| 138 | L | 38.3 | Very low | 37 | Very low | 160 Ų | 160 | 151.4 Ų | 151.4 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | | | trans | -86.6 | 114.6 | -179.3 | -161 | 76.4 | 0 | 0 | 0 | 109.2 | | |
| 139 | D | 35 | Very low | 36.7 | Very low | 152 Ų | 152 | 145.8 Ų | 145.8 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | | | trans | -86.7 | 146.5 | -179.1 | -115.2 | -45.9 | 0 | 0 | 0 | 112.3 | | |
| 140 | V | 38.5 | Very low | 36.4 | Very low | 121 Ų | 121 | 151 Ų | 151 | 73% | 0.733 | 81% | 0.813 | S | S | * | * | | | trans | -125.6 | 119.3 | 178.7 | 177.3 | 0 | 0 | 0 | 0 | 108.6 | G142 | V140-G142 PolarHBondContact O-N 2.9Å; V140-G142 VanDerWaalsContact O-N 3.1Å |
| 141 | P | 43.4 | Very low | 36.2 | Very low | 133 Ų | 133 | 146.9 Ų | 146.9 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | | | trans | -75.7 | 103.4 | -172.7 | 28.8 | -34.1 | 0 | 0 | 0 | 112.4 | | |
| 142 | G | 32.6 | Very low | 36.9 | Very low | 76 Ų | 76 | 144.6 Ų | 144.6 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | | | trans | -86.1 | 146 | 165.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V140 | V140-G142 PolarHBondContact O-N 2.9Å; V140-G142 VanDerWaalsContact O-N 3.1Å |
| 143 | S | 39.5 | Very low | 36.8 | Very low | 133 Ų | 133 | 143.7 Ų | 143.7 | 93% | 0.93 | 81% | 0.813 | S | S | * | * | | | trans | -84.8 | 125.1 | -169.3 | -173.8 | 0 | 0 | 0 | 0 | 114.9 | | |
| 144 | A | 33 | Very low | 37.3 | Very low | 99 Ų | 99 | 141.4 Ų | 141.4 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | | | trans | -160.6 | 150.2 | 153.2 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 145 | G | 34.5 | Very low | 37.3 | Very low | 69 Ų | 69 | 137.2 Ų | 137.2 | 71% | 0.711 | 82% | 0.815 | S | S | * | * | | | cis | 152.1 | 92.6 | -0.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 146 | I | 37.6 | Very low | 37 | Very low | 172 Ų | 172 | 134.2 Ų | 134.2 | 88% | 0.882 | 81% | 0.81 | S | S | * | * | | | trans | -120.9 | 134.9 | -170.1 | -48.2 | -179.7 | 0 | 0 | 0 | 110.4 | | |
| 147 | K | 33.3 | Very low | 36.6 | Very low | 183 Ų | 183 | 135.1 Ų | 135.1 | 80% | 0.796 | 81% | 0.808 | S | S | * | * | | | trans | -96.7 | 169.3 | 178.2 | -42.7 | 176.4 | 179.7 | 177.4 | 0 | 109.5 | | |
| 148 | D | 30.4 | Very low | 36.3 | Very low | 140 Ų | 140 | 132.2 Ų | 132.2 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | | | cis | -162.3 | -166.9 | 7.8 | -143.6 | -51.2 | 0 | 0 | 0 | 108.6 | | |
| 149 | S | 33 | Very low | 36 | Very low | 102 Ų | 102 | 130.3 Ų | 130.3 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | | | trans | 95.5 | 73.7 | 156.4 | -44 | 0 | 0 | 0 | 0 | 120.1 | | |
| 150 | R | 31.8 | Very low | 36 | Very low | 254 Ų | 254 | 132 Ų | 132 | 96% | 0.958 | 79% | 0.792 | S | S | * | * | | | | -176.8 | 140.8 | 113.2 | -102.1 | 175.6 | 177.3 | -175.4 | -1.2 | 112.5 | | |
| 151 | S | 32.2 | Very low | 36.3 | Very low | 110 Ų | 110 | 132.5 Ų | 132.5 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | | | trans | -117.5 | 170 | 171.1 | 68.9 | 0 | 0 | 0 | 0 | 108.9 | | |
| 152 | P | 51.9 | Low | 36.4 | Very low | 124 Ų | 124 | 131.8 Ų | 131.8 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | | | | -131.2 | 173.3 | 59.1 | 24.9 | -2.2 | 0 | 0 | 0 | 117 | | |
| 153 | T | 37.1 | Very low | 36.9 | Very low | 130 Ų | 130 | 133.8 Ų | 133.8 | 80% | 0.798 | 79% | 0.787 | S | S | * | * | | | trans | -78.4 | -172.4 | 177.6 | 21.8 | 0 | 0 | 0 | 0 | 113.8 | | |
| 154 | P | 48 | Very low | 36.9 | Very low | 131 Ų | 131 | 133.8 Ų | 133.8 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | | | cis | -131.5 | 172.4 | 1.7 | 27.3 | -4 | 0 | 0 | 0 | 117.2 | | |
| 155 | G | 32.3 | Very low | 37 | Very low | 75 Ų | 75 | 135.4 Ų | 135.4 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | | | trans | -167.1 | 59.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 156 | H | 30.5 | Very low | 36.9 | Very low | 167 Ų | 167 | 140 Ų | 140 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | | | trans | 60.5 | 107.8 | 141.3 | -152.9 | -115.6 | 0 | 0 | 0 | 122.7 | | |
| 157 | L | 35.6 | Very low | 36.6 | Very low | 145 Ų | 145 | 135.3 Ų | 135.3 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | | | trans | 67.1 | 164.5 | 150.3 | -61.2 | -167.8 | 0 | 0 | 0 | 119.9 | | |
| 158 | S | 34.6 | Very low | 36.6 | Very low | 101 Ų | 101 | 133.7 Ų | 133.7 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | | | cis | -158.7 | 174.4 | -32 | -172.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 159 | N | 31.1 | Very low | 36.8 | Very low | 120 Ų | 120 | 134.4 Ų | 134.4 | 64% | 0.642 | 76% | 0.755 | S | S | * | * | | | trans | -50.8 | 135.4 | -167.4 | -72.8 | -83.9 | 0 | 0 | 0 | 120.9 | | |
| 160 | K | 36 | Very low | 36.8 | Very low | 186 Ų | 186 | 136.1 Ų | 136.1 | 81% | 0.809 | 76% | 0.761 | S | S | * | * | | | | 63.4 | 147 | 123.5 | -58.3 | 175.1 | -172.8 | -68.3 | 0 | 122 | | |
| 161 | V | 43.5 | Very low | 37 | Very low | 133 Ų | 133 | 132.9 Ų | 132.9 | 81% | 0.806 | 76% | 0.756 | S | S | * | * | | | trans | -78.8 | 144.7 | 174.7 | -178 | 0 | 0 | 0 | 0 | 111.5 | | |
| 162 | P | 45.8 | Very low | 37.7 | Very low | 118 Ų | 118 | 133 Ų | 133 | 77% | 0.766 | 75% | 0.754 | S | S | * | * | | | trans | -82.2 | 154.2 | 176.4 | 33.2 | -36.4 | 0 | 0 | 0 | 114.6 | | |
| 163 | V | 42.6 | Very low | 37 | Very low | 117 Ų | 117 | 135.2 Ų | 135.2 | 71% | 0.709 | 76% | 0.758 | S | S | * | * | | | trans | -143.3 | 136.3 | 176.2 | 170.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 164 | V | 40.3 | Very low | 37 | Very low | 133 Ų | 133 | 135 Ų | 135 | 81% | 0.806 | 76% | 0.757 | S | S | * | * | | | trans | -158.1 | 129.9 | -179.1 | 174.5 | 0 | 0 | 0 | 0 | 106.5 | | |
| 165 | Q | 35.3 | Very low | 37 | Very low | 133 Ų | 133 | 134.1 Ų | 134.1 | 62% | 0.621 | 75% | 0.751 | S | S | * | * | | | cis | 83.3 | 128.8 | 10.8 | -62.1 | 177 | -73.6 | 0 | 0 | 116.1 | | |
| 166 | H | 31.3 | Very low | 37.4 | Very low | 165 Ų | 165 | 137.6 Ų | 137.6 | 76% | 0.764 | 75% | 0.752 | S | S | * | * | | | cis | -141.3 | -174.2 | 15.1 | -89.2 | -78.8 | 0 | 0 | 0 | 113.4 | | |
| 167 | A | 31.4 | Very low | 37.6 | Very low | 75 Ų | 75 | 136.6 Ų | 136.6 | 62% | 0.62 | 75% | 0.75 | S | S | * | * | | | trans | -44.4 | 171 | 176.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 168 | H | 33.9 | Very low | 37.4 | Very low | 149 Ų | 149 | 135.2 Ų | 135.2 | 69% | 0.69 | 75% | 0.748 | S | S | * | * | | | | -177.3 | 137.9 | 77.3 | -93.2 | -74.3 | 0 | 0 | 0 | 117.4 | | |
| 169 | H | 34.8 | Very low | 37.2 | Very low | 155 Ų | 155 | 141 Ų | 141 | 72% | 0.718 | 76% | 0.756 | S | S | * | * | | | trans | 50.4 | 160 | 139.6 | 65.6 | -149.4 | 0 | 0 | 0 | 127.3 | | |
| 170 | V | 32.8 | Very low | 37.1 | Very low | 137 Ų | 137 | 140.3 Ų | 140.3 | 83% | 0.83 | 76% | 0.76 | S | S | * | * | | | trans | 84.7 | 130.6 | 161.7 | -49.7 | 0 | 0 | 0 | 0 | 123.3 | | |
| 171 | H | 35.7 | Very low | 36.8 | Very low | 186 Ų | 186 | 137 Ų | 137 | 86% | 0.861 | 75% | 0.752 | S | S | * | * | | | trans | -99.2 | 165.5 | 164.4 | -79.4 | -87.3 | 0 | 0 | 0 | 110.4 | | |
| 172 | P | 47 | Very low | 36.2 | Very low | 113 Ų | 113 | 137.5 Ų | 137.5 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | | | | -153.2 | 145.9 | 108.4 | 35.1 | -16.1 | 0 | 0 | 0 | 119.1 | | |
| 173 | L | 38.4 | Very low | 36 | Very low | 170 Ų | 170 | 139.8 Ų | 139.8 | 89% | 0.89 | 75% | 0.745 | S | S | * | * | | | trans | 68.9 | 149.6 | 137.7 | -64.4 | 171.5 | 0 | 0 | 0 | 124.7 | | |
| 174 | T | 35.1 | Very low | 35.5 | Very low | 127 Ų | 127 | 143.5 Ų | 143.5 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | | | trans | -107.2 | 160.5 | 166 | 44.6 | 0 | 0 | 0 | 0 | 111.1 | | |
| 175 | P | 48.6 | Very low | 35.6 | Very low | 111 Ų | 111 | 142.6 Ų | 142.6 | 72% | 0.721 | 75% | 0.752 | S | S | * | * | | | | -145.5 | 134.1 | 116.1 | 30 | -10.6 | 0 | 0 | 0 | 114.4 | | |
| 176 | L | 40.9 | Very low | 36.3 | Very low | 149 Ų | 149 | 142.4 Ų | 142.4 | 78% | 0.78 | 76% | 0.762 | S | S | * | * | | | | 88.9 | 112.2 | 94 | -66.2 | 172.7 | 0 | 0 | 0 | 117.5 | | |
| 177 | I | 35.5 | Very low | 36.1 | Very low | 145 Ų | 145 | 138.1 Ų | 138.1 | 74% | 0.744 | 76% | 0.763 | S | S | * | * | | | trans | 39 | 133.2 | 135.3 | -30.4 | 176.5 | 0 | 0 | 0 | 120.5 | | |
| 178 | T | 29.6 | Very low | 36.4 | Very low | 117 Ų | 117 | 141.1 Ų | 141.1 | 72% | 0.718 | 77% | 0.774 | S | S | * | * | | | | 158.5 | 110.4 | 119.7 | -66.6 | 0 | 0 | 0 | 0 | 116.9 | | |
| 179 | Y | 30.4 | Very low | 37.7 | Very low | 223 Ų | 223 | 138.9 Ų | 138.9 | 88% | 0.875 | 77% | 0.772 | S | S | * | * | | | trans | 59.8 | 163.5 | 143.2 | -93.6 | -106.4 | 0 | 0 | 0 | 125.6 | | |
| 180 | S | 29.1 | Very low | 38.3 | Very low | 104 Ų | 104 | 137.2 Ų | 137.2 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | | | trans | 63.6 | 121 | 168 | -129.9 | 0 | 0 | 0 | 0 | 117.7 | | |
| 181 | N | 29.6 | Very low | 38.3 | Very low | 118 Ų | 118 | 135.6 Ų | 135.6 | 63% | 0.631 | 77% | 0.77 | S | S | * | * | | | cis | 86.1 | 128.3 | 21.5 | -149.5 | 37.5 | 0 | 0 | 0 | 116 | | |
| 182 | E | 32.4 | Very low | 38.1 | Very low | 142 Ų | 142 | 134.8 Ų | 134.8 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | | | trans | 72.2 | 121.3 | 162.6 | -75.5 | 142.5 | -168.1 | 0 | 0 | 122.9 | | |
| 183 | H | 42.2 | Very low | 37.5 | Very low | 167 Ų | 167 | 136.3 Ų | 136.3 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | | | trans | 42.9 | 127.8 | 146.6 | -55.8 | -64 | 0 | 0 | 0 | 122.9 | | |
| 184 | F | 31.2 | Very low | 37.3 | Very low | 195 Ų | 195 | 133.6 Ų | 133.6 | 86% | 0.855 | 76% | 0.763 | S | S | * | * | | | | -172.8 | 145 | 103.2 | -114.3 | -82.4 | 0 | 0 | 0 | 113.3 | | |
| 185 | S | 42.6 | Very low | 38 | Very low | 114 Ų | 114 | 133.2 Ų | 133.2 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | | | trans | -140.3 | 135.3 | 160.6 | -63.1 | 0 | 0 | 0 | 0 | 107.4 | | |
| 186 | P | 48.7 | Very low | 37.3 | Very low | 128 Ų | 128 | 137 Ų | 137 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | | | | -153.9 | 175.1 | 100.8 | 39.3 | -21.5 | 0 | 0 | 0 | 115.4 | | |
| 187 | G | 28.3 | Very low | 37.5 | Very low | 76 Ų | 76 | 137.1 Ų | 137.1 | 78% | 0.784 | 77% | 0.77 | S | S | * | * | | | trans | 156.3 | 104.8 | 162.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 188 | T | 37.2 | Very low | 37.7 | Very low | 138 Ų | 138 | 138 Ų | 138 | 85% | 0.847 | 78% | 0.776 | S | S | * | * | | | trans | -145.7 | 177.6 | 170.7 | 29.8 | 0 | 0 | 0 | 0 | 109 | | |
| 189 | P | 62.1 | Low | 38 | Very low | 101 Ų | 101 | 139 Ų | 139 | 66% | 0.656 | 78% | 0.776 | S | S | * | * | | | cis | -103.7 | -124.9 | -13.7 | 41.2 | -27.2 | 0 | 0 | 0 | 109.2 | | |
| 190 | P | 45.7 | Very low | 39 | Very low | 120 Ų | 120 | 133.9 Ų | 133.9 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | | | cis | -84.6 | 175.4 | -7.4 | -1.8 | 23.9 | 0 | 0 | 0 | 113.1 | | |
| 191 | S | 33.6 | Very low | 40 | Very low | 103 Ų | 103 | 137.5 Ų | 137.5 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | | | cis | 104.2 | 101.5 | -0.5 | -52.6 | 0 | 0 | 0 | 0 | 118.6 | | |
| 192 | H | 32.4 | Very low | 41.3 | Very low | 170 Ų | 170 | 138.1 Ų | 138.1 | 79% | 0.787 | 78% | 0.781 | S | S | * | * | | | trans | -150.7 | 105 | 155.8 | -164.6 | -106 | 0 | 0 | 0 | 113.1 | | |
| 193 | L | 34 | Very low | 42.2 | Very low | 144 Ų | 144 | 135.4 Ų | 135.4 | 75% | 0.754 | 79% | 0.792 | S | S | * | * | | | trans | 71.2 | 147.9 | 162.7 | -54.1 | -176.4 | 0 | 0 | 0 | 122.1 | | |
| 194 | S | 34.6 | Very low | 42.9 | Very low | 114 Ų | 114 | 134 Ų | 134 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | | | trans | 174.9 | 177.7 | -177.3 | -77.7 | 0 | 0 | 0 | 0 | 106.4 | | |
| 195 | P | 49.4 | Very low | 43.2 | Very low | 118 Ų | 118 | 130.8 Ų | 130.8 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | | | cis | -130.9 | 153.2 | -29.4 | 34.8 | -18.3 | 0 | 0 | 0 | 114.4 | | |
| 196 | E | 33.3 | Very low | 42.9 | Very low | 190 Ų | 190 | 136.9 Ų | 136.9 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | | | trans | -173.8 | 142.3 | 148.8 | -110.7 | -179.9 | 139.6 | 0 | 0 | 106.7 | | |
| 197 | I | 45.7 | Very low | 42.5 | Very low | 153 Ų | 153 | 136.9 Ų | 136.9 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | | | cis | -124.2 | 137.3 | 12.5 | -64.4 | 162.1 | 0 | 0 | 0 | 109.5 | | |
| 198 | L | 39.9 | Very low | 43.6 | Very low | 164 Ų | 164 | 139.3 Ų | 139.3 | 86% | 0.859 | 79% | 0.793 | S | S | * | * | | | trans | -146 | 109.1 | 164.1 | -167.1 | 81.2 | 0 | 0 | 0 | 109.1 | P200 | L198-P200 WeakPolarHBondContact O-CD 3.44Š|
| 199 | D | 34.9 | Very low | 43.6 | Very low | 136 Ų | 136 | 140.8 Ų | 140.8 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | | | trans | -87.2 | 114.6 | 174.9 | -179 | 10.9 | 0 | 0 | 0 | 110.2 | K201 | D199-K201 VanDerWaalsContact C-N 3.29Å; D199-K201 PolarHBondContact O-N 2.59Å |
| 200 | P | 51.8 | Low | 42.5 | Very low | 116 Ų | 116 | 141.2 Ų | 141.2 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | | | trans | -84.8 | 50 | -166.7 | 35.8 | -38.2 | 0 | 0 | 0 | 114 | L198 | L198-P200 WeakPolarHBondContact O-CD 3.44Š|
| 201 | K | 50.7 | Low | 42.2 | Very low | 180 Ų | 180 | 141.1 Ų | 141.1 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -148.7 | 50 | 177.1 | -147.1 | 157.9 | -174.2 | 172.8 | 0 | 119.3 | D199 | D199-K201 VanDerWaalsContact C-N 3.29Å; D199-K201 PolarHBondContact O-N 2.59Å |
| 202 | T | 57.2 | Low | 42.2 | Very low | 131 Ų | 131 | 144.7 Ų | 144.7 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | | | trans | -173.3 | 111.3 | 138.1 | 15.5 | 0 | 0 | 0 | 0 | 111.9 | I204 | T202-I204 PolarHBondContact O-N 3.28Š|
| 203 | G | 49.8 | Very low | 42.3 | Very low | 86 Ų | 86 | 144.7 Ų | 144.7 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | | | trans | -83.2 | 68 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 204 | I | 57.3 | Low | 42.4 | Very low | 138 Ų | 138 | 143.1 Ų | 143.1 | 71% | 0.708 | 81% | 0.806 | S | S | * | * | | | trans | -138.9 | 119.4 | 176.2 | -49.2 | 177.1 | 0 | 0 | 0 | 111.2 | T202 R206 | T202-I204 PolarHBondContact O-N 3.28Å; I204-R206 PolarHBondContact O-N 2.92Å |
| 205 | P | 38.7 | Very low | 43.2 | Very low | 126 Ų | 126 | 142.2 Ų | 142.2 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 122.2 | 170.8 | 30.2 | -32.2 | 0 | 0 | 0 | 110.9 | | |
| 206 | R | 35.7 | Very low | 42.2 | Very low | 243 Ų | 243 | 147.8 Ų | 147.8 | 92% | 0.917 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 145 | 173.3 | -103.8 | -175.8 | 170.1 | 105.9 | -5.6 | 111.4 | I204 | I204-R206 PolarHBondContact O-N 2.92Š|
| 207 | T | 41.2 | Very low | 42.2 | Very low | 128 Ų | 128 | 148.8 Ų | 148.8 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 136.3 | 169.4 | 49.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 208 | P | 50.8 | Low | 42.7 | Very low | 127 Ų | 127 | 146.3 Ų | 146.3 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 132.3 | 176.8 | 28.9 | -33.8 | 0 | 0 | 0 | 111.5 | | |
| 209 | H | 36.2 | Very low | 42.6 | Very low | 168 Ų | 168 | 146.2 Ų | 146.2 | 78% | 0.778 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 141 | 174.7 | -146.2 | -83.5 | 0 | 0 | 0 | 109.5 | | |
| 210 | P | 40.3 | Very low | 42.5 | Very low | 111 Ų | 111 | 145.1 Ų | 145.1 | 72% | 0.721 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 135.2 | 160.8 | 31.1 | -31.4 | 0 | 0 | 0 | 109 | | |
| 211 | S | 38.7 | Very low | 42.2 | Very low | 118 Ų | 118 | 145.6 Ų | 145.6 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | | | trans | -107.7 | 154 | 171.9 | -68.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 212 | E | 33.9 | Very low | 41.5 | Very low | 178 Ų | 178 | 140.5 Ų | 140.5 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | | | trans | -93 | 177.9 | -167.3 | -57.1 | -176.4 | 126.3 | 0 | 0 | 114.3 | | |
| 213 | L | 34.4 | Very low | 40.5 | Very low | 170 Ų | 170 | 139.5 Ų | 139.5 | 89% | 0.89 | 81% | 0.805 | S | S | * | * | | | trans | 97.6 | 137.8 | 157.5 | -50.7 | -175.4 | 0 | 0 | 0 | 119.5 | | |
| 214 | S | 35.4 | Very low | 40.1 | Very low | 111 Ų | 111 | 142.5 Ų | 142.5 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | | | trans | -106.9 | -159.4 | 177.5 | -148.2 | 0 | 0 | 0 | 0 | 107.1 | | |
| 215 | P | 51.6 | Low | 39.2 | Very low | 95 Ų | 95 | 139.6 Ų | 139.6 | 62% | 0.617 | 81% | 0.809 | S | S | * | * | | | cis | -138.4 | 167.1 | -8.7 | 40.8 | -23.8 | 0 | 0 | 0 | 116.3 | | |
| 216 | Y | 29.4 | Very low | 39.1 | Very low | 235 Ų | 235 | 139.1 Ų | 139.1 | 92% | 0.922 | 81% | 0.809 | S | S | * | * | | | trans | -160 | 149.4 | 141.5 | -109.6 | -78.3 | 0 | 0 | 0 | 110.4 | | |
| 217 | Y | 33.5 | Very low | 39.3 | Very low | 210 Ų | 210 | 135 Ų | 135 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | | | trans | -129.7 | -179.7 | -174.2 | -97.9 | -88.6 | 0 | 0 | 0 | 109.4 | | |
| 218 | P | 55.7 | Low | 39 | Very low | 102 Ų | 102 | 133.5 Ų | 133.5 | 66% | 0.662 | 80% | 0.804 | S | S | * | * | | | cis | -121.9 | -167.1 | -14.2 | 23.6 | 2.8 | 0 | 0 | 0 | 111.1 | | |
| 219 | L | 37.3 | Very low | 38.5 | Very low | 162 Ų | 162 | 135.3 Ų | 135.3 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | | | cis | -160.1 | 164.9 | 41.8 | -78.4 | 163.6 | 0 | 0 | 0 | 112.5 | | |
| 220 | S | 32.8 | Very low | 39 | Very low | 112 Ų | 112 | 133.4 Ų | 133.4 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | | | trans | -104.9 | -164.1 | 177.8 | -34 | 0 | 0 | 0 | 0 | 111.4 | | |
| 221 | P | 45.1 | Very low | 39.2 | Very low | 127 Ų | 127 | 136.2 Ų | 136.2 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | | | cis | -133.5 | 155.8 | -18.2 | 37.1 | -20.6 | 0 | 0 | 0 | 114.9 | | |
| 222 | G | 36.9 | Very low | 39 | Very low | 73 Ų | 73 | 135.9 Ų | 135.9 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | | | trans | 168.6 | 160.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 223 | A | 36.5 | Very low | 39.2 | Very low | 110 Ų | 110 | 138.4 Ų | 138.4 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | | | trans | 63.8 | 128.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 224 | V | 40.4 | Very low | 39.3 | Very low | 149 Ų | 149 | 139.8 Ų | 139.8 | 90% | 0.903 | 81% | 0.811 | S | S | * | * | | | trans | -110 | 134.9 | 178.9 | -171.1 | 0 | 0 | 0 | 0 | 109 | | |
| 225 | G | 39.1 | Very low | 39.2 | Very low | 76 Ų | 76 | 141.9 Ų | 141.9 | 78% | 0.784 | 81% | 0.81 | S | S | * | * | | | trans | -160.1 | 76.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 226 | S | 36.4 | Very low | 38.5 | Very low | 116 Ų | 116 | 146.1 Ų | 146.1 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 142.9 | 176.6 | 45.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 227 | I | 40.8 | Very low | 38.8 | Very low | 158 Ų | 158 | 141.5 Ų | 141.5 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 144.6 | 179.8 | -64.1 | 165.7 | 0 | 0 | 0 | 110.1 | | |
| 228 | A | 33.9 | Very low | 38.7 | Very low | 95 Ų | 95 | 140.6 Ų | 140.6 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 134.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 229 | H | 40.9 | Very low | 37.6 | Very low | 165 Ų | 165 | 139.3 Ų | 139.3 | 76% | 0.764 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -103.1 | 131.3 | 167.1 | -68.4 | -88 | 0 | 0 | 0 | 110.4 | L231 | H229-L231 VanDerWaalsContact C-N 3.29Å; H229-L231 PolarHBondContact O-N 2.95Å |
| 230 | P | 46.4 | Very low | 37.3 | Very low | 129 Ų | 129 | 140.4 Ų | 140.4 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -84 | 61.9 | -179 | 34.6 | -36.5 | 0 | 0 | 0 | 113 | | |
| 231 | L | 44 | Very low | 38.5 | Very low | 170 Ų | 170 | 140.1 Ų | 140.1 | 89% | 0.89 | 81% | 0.813 | S | S | * | * | | | trans | -133.4 | 87.1 | 164.8 | -113.3 | 98 | 0 | 0 | 0 | 109.9 | H229 | H229-L231 VanDerWaalsContact C-N 3.29Å; H229-L231 PolarHBondContact O-N 2.95Å |
| 232 | S | 35.5 | Very low | 37.8 | Very low | 110 Ų | 110 | 141.3 Ų | 141.3 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | | | trans | -141.2 | 70.1 | -173.5 | -59.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 233 | W | 37.7 | Very low | 37.8 | Very low | 232 Ų | 232 | 147.6 Ų | 147.6 | 88% | 0.879 | 81% | 0.812 | S | S | * | * | | | trans | -153.4 | 94.3 | 163.1 | -168.1 | -81.7 | 0 | 0 | 0 | 112.5 | | |
| 234 | F | 36.5 | Very low | 37.4 | Very low | 199 Ų | 199 | 147.5 Ų | 147.5 | 87% | 0.873 | 81% | 0.805 | S | S | * | * | | | trans | -176.7 | 91.8 | 148.7 | -102 | -62.1 | 0 | 0 | 0 | 110.4 | | |
| 235 | M | 33.7 | Very low | 37.3 | Very low | 155 Ų | 155 | 147.7 Ų | 147.7 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | | | trans | 167 | 122.7 | 142.3 | -97.8 | -177.8 | 68.7 | 0 | 0 | 112.4 | Q237 | M235-Q237 HydrophobicContact CE-CG 4.39Š|
| 236 | Q | 36.8 | Very low | 38 | Very low | 183 Ų | 183 | 149.7 Ų | 149.7 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | | | trans | -164.6 | 91.9 | 153.5 | -163.8 | 81.4 | 7 | 0 | 0 | 104.6 | | |
| 237 | Q | 35 | Very low | 38.6 | Very low | 139 Ų | 139 | 149.8 Ų | 149.8 | 65% | 0.65 | 80% | 0.796 | S | S | * | * | | | | 73.6 | 149.7 | 83.1 | -73.9 | -68.4 | 14.3 | 0 | 0 | 115.6 | M235 | M235-Q237 HydrophobicContact CE-CG 4.39Š|
| 238 | Q | 31.8 | Very low | 38.3 | Very low | 191 Ų | 191 | 146.3 Ų | 146.3 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | | | trans | -96.6 | 156.5 | -153.9 | -53.8 | 176.1 | 0.9 | 0 | 0 | 115.2 | | |
| 239 | G | 31.8 | Very low | 38.3 | Very low | 74 Ų | 74 | 145.2 Ų | 145.2 | 76% | 0.763 | 80% | 0.797 | S | S | * | * | | | trans | 169.5 | 145.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 240 | Q | 30.6 | Very low | 38.1 | Very low | 185 Ų | 185 | 145.9 Ų | 145.9 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | | | trans | -138.7 | 179 | 179.3 | -74.1 | -77.4 | -3.7 | 0 | 0 | 108.1 | | |
| 241 | P | 59 | Low | 37.8 | Very low | 106 Ų | 106 | 149.3 Ų | 149.3 | 69% | 0.688 | 80% | 0.795 | S | S | * | * | | | cis | -132.8 | -179.5 | -6.7 | 40.3 | -23.7 | 0 | 0 | 0 | 114.7 | | |
| 242 | M | 30.7 | Very low | 37.6 | Very low | 153 Ų | 153 | 149.1 Ų | 149.1 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | | | | 163.6 | 114.1 | 128.4 | -93 | -176.2 | 65.2 | 0 | 0 | 115.5 | | |
| 243 | Y | 35.9 | Very low | 38.5 | Very low | 204 Ų | 204 | 149.9 Ų | 149.9 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | | | trans | 53.5 | 152 | 152.9 | -56.1 | -74.8 | 0 | 0 | 0 | 121 | | |
| 244 | S | 28.6 | Very low | 38.4 | Very low | 109 Ų | 109 | 148.5 Ų | 148.5 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | | | cis | -152.2 | 175.9 | 2.2 | -133.9 | 0 | 0 | 0 | 0 | 113.8 | | |
| 245 | I | 37.5 | Very low | 39.2 | Very low | 153 Ų | 153 | 145 Ų | 145 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | | | trans | -111.2 | 145.3 | -169.1 | -65.5 | 160.7 | 0 | 0 | 0 | 109.3 | | |
| 246 | P | 55.3 | Low | 39.3 | Very low | 117 Ų | 117 | 142.9 Ų | 142.9 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | | | | -161.8 | -173.6 | 87.2 | 44.8 | -21.6 | 0 | 0 | 0 | 117.5 | | |
| 247 | P | 49 | Very low | 39.7 | Very low | 118 Ų | 118 | 142.3 Ų | 142.3 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | | | | -137.7 | 157.8 | -57.7 | 40.2 | -24.7 | 0 | 0 | 0 | 115.9 | | |
| 248 | G | 34.5 | Very low | 40.2 | Very low | 85 Ų | 85 | 139.9 Ų | 139.9 | 88% | 0.876 | 79% | 0.786 | S | S | * | * | | | trans | 85.8 | 149.8 | 156.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 249 | G | 33 | Very low | 40.4 | Very low | 73 Ų | 73 | 139.8 Ų | 139.8 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | | | cis | 178.6 | 168.4 | -7.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 250 | F | 36.4 | Very low | 40.8 | Very low | 179 Ų | 179 | 144.1 Ų | 144.1 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | | | trans | 75.8 | 94.5 | 167.2 | -92.5 | -115.1 | 0 | 0 | 0 | 122 | | |
| 251 | R | 40.1 | Very low | 40.9 | Very low | 201 Ų | 201 | 139.7 Ų | 139.7 | 76% | 0.758 | 79% | 0.789 | S | S | * | * | | | | 66.4 | 111.7 | 127.7 | -60.5 | -174.2 | -170.4 | -79.5 | -3.6 | 121.9 | | |
| 252 | H | 41.1 | Very low | 40 | Very low | 165 Ų | 165 | 139.9 Ų | 139.9 | 76% | 0.764 | 79% | 0.792 | S | S | * | * | | | trans | -80.2 | 166.1 | 137.9 | -59.1 | -77.4 | 0 | 0 | 0 | 111.4 | | |
| 253 | P | 52.9 | Low | 40.2 | Very low | 127 Ų | 127 | 140.4 Ų | 140.4 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | | | trans | -125.8 | 126.4 | 133.7 | 34.4 | -25.7 | 0 | 0 | 0 | 112.7 | | |
| 254 | Y | 36.9 | Very low | 40 | Very low | 202 Ų | 202 | 135 Ų | 135 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | | | trans | -85.1 | 165.4 | 154.3 | -77.9 | -89.1 | 0 | 0 | 0 | 108.6 | | |
| 255 | P | 53.2 | Low | 40.4 | Very low | 126 Ų | 126 | 134.8 Ų | 134.8 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | | -140.6 | 159 | 88 | 34.9 | -18.6 | 0 | 0 | 0 | 115.7 | | |
| 256 | T | 35.2 | Very low | 40.6 | Very low | 110 Ų | 110 | 134.7 Ų | 134.7 | 68% | 0.675 | 79% | 0.786 | S | S | * | * | | | trans | -70.2 | 157.8 | 163.8 | 178.3 | 0 | 0 | 0 | 0 | 112 | | |
| 257 | L | 46.2 | Very low | 39.7 | Very low | 172 Ų | 172 | 135.9 Ų | 135.9 | 90% | 0.901 | 79% | 0.79 | S | S | * | * | | | trans | -135.3 | 136.1 | 133.1 | -78.5 | -175.8 | 0 | 0 | 0 | 109.2 | | |
| 258 | A | 44.4 | Very low | 39 | Very low | 87 Ų | 87 | 136.6 Ų | 136.6 | 72% | 0.719 | 80% | 0.798 | S | S | * | * | | | trans | -116 | 138.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 259 | M | 35.3 | Very low | 39.1 | Very low | 190 Ų | 190 | 137.4 Ų | 137.4 | 94% | 0.936 | 79% | 0.79 | S | S | * | * | | | trans | -139.3 | 144.7 | 167.1 | -75.8 | -165 | 168.5 | 0 | 0 | 110.6 | | |
| 260 | N | 42.1 | Very low | 39.1 | Very low | 165 Ų | 165 | 145 Ų | 145 | 88% | 0.882 | 80% | 0.796 | S | S | * | * | | | trans | -121.4 | 117.1 | -179.1 | 167.6 | 23.1 | 0 | 0 | 0 | 108.5 | | |
| 261 | A | 32.7 | Very low | 39.1 | Very low | 92 Ų | 92 | 146.6 Ų | 146.6 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | | | trans | -162.3 | 146.8 | 157.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 262 | S | 38.8 | Very low | 38.9 | Very low | 110 Ų | 110 | 142 Ų | 142 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | | | trans | -73.5 | 132.7 | 164.6 | 175.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 263 | M | 35.5 | Very low | 39.1 | Very low | 163 Ų | 163 | 140 Ų | 140 | 80% | 0.803 | 80% | 0.803 | S | S | * | * | | | trans | -162.7 | 144.5 | 141 | -109.2 | -65.4 | 105.6 | 0 | 0 | 113.3 | | |
| 264 | S | 32 | Very low | 38.1 | Very low | 91 Ų | 91 | 142.2 Ų | 142.2 | 64% | 0.636 | 80% | 0.803 | S | S | * | * | | | trans | -18.7 | 130.8 | 168.6 | -55.6 | 0 | 0 | 0 | 0 | 120.1 | | |
| 265 | S | 37.1 | Very low | 38.1 | Very low | 104 Ų | 104 | 139.7 Ų | 139.7 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | | | | 47.1 | 151.7 | 113.3 | -154.9 | 0 | 0 | 0 | 0 | 121.9 | | |
| 266 | L | 40.7 | Very low | 37.5 | Very low | 151 Ų | 151 | 140.7 Ų | 140.7 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | | | trans | 86.6 | 153.9 | 171.4 | -48.3 | 179 | 0 | 0 | 0 | 117.3 | | |
| 267 | V | 37.6 | Very low | 37.8 | Very low | 142 Ų | 142 | 141.6 Ų | 141.6 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | | | trans | 56.2 | 53.2 | 168.2 | -59.5 | 0 | 0 | 0 | 0 | 120.2 | S269 | V267-S269 PolarHBondContact O-N 2.95Š|
| 268 | S | 33.6 | Very low | 37.8 | Very low | 134 Ų | 134 | 138.6 Ų | 138.6 | 94% | 0.937 | 80% | 0.8 | S | S | * | * | | | trans | -79.4 | 84.9 | 148.3 | -79.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 269 | S | 35.5 | Very low | 37.8 | Very low | 101 Ų | 101 | 140.3 Ų | 140.3 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | | | trans | -166.1 | 118.3 | 161.9 | -176.9 | 0 | 0 | 0 | 0 | 112 | V267 | V267-S269 PolarHBondContact O-N 2.95Š|
| 270 | R | 34.7 | Very low | 38.2 | Very low | 232 Ų | 232 | 136.5 Ų | 136.5 | 88% | 0.875 | 79% | 0.793 | S | S | * | * | | | trans | 175.8 | 88.2 | 148.7 | -90.9 | -107.3 | -107.6 | -72.7 | 2.2 | 111.4 | | |
| 271 | F | 35.8 | Very low | 37.9 | Very low | 214 Ų | 214 | 137.3 Ų | 137.3 | 94% | 0.939 | 79% | 0.791 | S | S | * | * | | | trans | -158.7 | 111.9 | 135.7 | -121.1 | -75.1 | 0 | 0 | 0 | 109.3 | | |
| 272 | S | 35.8 | Very low | 37.8 | Very low | 104 Ų | 104 | 138.2 Ų | 138.2 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | | | trans | -125.3 | 147.8 | -179.5 | -52.6 | 0 | 0 | 0 | 0 | 109.8 | | |
| 273 | P | 45.6 | Very low | 37.8 | Very low | 122 Ų | 122 | 140.3 Ų | 140.3 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | | | trans | -95.6 | 130.3 | 155.6 | 33 | -27 | 0 | 0 | 0 | 111.7 | | |
| 274 | H | 30.5 | Very low | 37.8 | Very low | 174 Ų | 174 | 140.2 Ų | 140.2 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | | | trans | 72.1 | 90.5 | 140.3 | -142 | 41.8 | 0 | 0 | 0 | 121.8 | | |
| 275 | M | 38.5 | Very low | 37.9 | Very low | 150 Ų | 150 | 143.5 Ų | 143.5 | 74% | 0.739 | 80% | 0.796 | S | S | * | * | | | | 42 | 104.9 | 124.8 | -53.3 | -86.7 | 71 | 0 | 0 | 121.4 | | |
| 276 | V | 39.5 | Very low | 38.1 | Very low | 146 Ų | 146 | 145 Ų | 145 | 89% | 0.885 | 80% | 0.801 | S | S | * | * | | | trans | -147.2 | 144.4 | 133.5 | -177.6 | 0 | 0 | 0 | 0 | 108.4 | | |
| 277 | T | 41.1 | Very low | 37.8 | Very low | 130 Ų | 130 | 141.2 Ų | 141.2 | 80% | 0.798 | 80% | 0.798 | S | S | * | * | | | trans | -109.1 | 131.2 | -176.4 | -23.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 278 | P | 46.2 | Very low | 38.1 | Very low | 108 Ų | 108 | 141.6 Ų | 141.6 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | | | trans | -105 | 155.4 | 166.3 | 36.9 | -30.6 | 0 | 0 | 0 | 113.1 | | |
| 279 | P | 45.8 | Very low | 38.5 | Very low | 123 Ų | 123 | 141 Ų | 141 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | | | trans | -84.9 | 159.4 | 177.7 | 34.6 | -35.6 | 0 | 0 | 0 | 113.7 | | |
| 280 | P | 43.9 | Very low | 38.4 | Very low | 110 Ų | 110 | 144 Ų | 144 | 71% | 0.714 | 79% | 0.789 | S | S | * | * | | | trans | -125.8 | 96.5 | -164.5 | 37.2 | -18.6 | 0 | 0 | 0 | 116.1 | | |
| 281 | H | 35.2 | Very low | 39 | Very low | 183 Ų | 183 | 138.6 Ų | 138.6 | 85% | 0.847 | 79% | 0.785 | S | S | * | * | | | trans | -148.7 | 145.3 | 164.7 | -56.4 | -74.3 | 0 | 0 | 0 | 108.5 | | |
| 282 | S | 31 | Very low | 38.8 | Very low | 111 Ų | 111 | 133 Ų | 133 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | | | cis | -159.9 | 150.5 | -8 | 48.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 283 | L | 37.6 | Very low | 38.8 | Very low | 153 Ų | 153 | 135.5 Ų | 135.5 | 80% | 0.801 | 78% | 0.781 | S | S | * | * | | | trans | 2.4 | 157.2 | 164.2 | -77.4 | 157.3 | 0 | 0 | 0 | 124.2 | | |
| 284 | H | 35.2 | Very low | 38.5 | Very low | 162 Ų | 162 | 135.6 Ų | 135.6 | 75% | 0.75 | 78% | 0.779 | S | S | * | * | | | trans | 78.6 | 154.3 | 171.4 | -56.6 | -82.6 | 0 | 0 | 0 | 118.3 | | |
| 285 | Q | 35.8 | Very low | 38.8 | Very low | 160 Ų | 160 | 132.3 Ų | 132.3 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | | | cis | -163.8 | 161 | -44.2 | -171.3 | 154.2 | -1.9 | 0 | 0 | 106.9 | G287 | Q285-G287 PolarHBondContact O-N 3.42Š|
| 286 | T | 41.1 | Very low | 39.1 | Very low | 136 Ų | 136 | 130.8 Ų | 130.8 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | | | trans | -49.6 | 130.2 | 177.2 | 50.2 | 0 | 0 | 0 | 0 | 114.6 | | |
| 287 | G | 33.9 | Very low | 38.6 | Very low | 71 Ų | 71 | 127.8 Ų | 127.8 | 73% | 0.732 | 77% | 0.767 | S | S | * | * | | | trans | -168.8 | 126.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q285 | Q285-G287 PolarHBondContact O-N 3.42Š|
| 288 | I | 44.7 | Very low | 38 | Very low | 149 Ų | 149 | 128.9 Ų | 128.9 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | | | trans | -91.9 | 122.5 | 173 | -61.2 | 164.8 | 0 | 0 | 0 | 108.2 | | |
| 289 | P | 40.3 | Very low | 37.6 | Very low | 122 Ų | 122 | 132.2 Ų | 132.2 | 79% | 0.792 | 77% | 0.77 | S | S | * | * | | | trans | -88.6 | 112.7 | 169.3 | 32.1 | -29.3 | 0 | 0 | 0 | 110.9 | | |
| 290 | H | 33.6 | Very low | 36.9 | Very low | 164 Ų | 164 | 133.7 Ų | 133.7 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | | | trans | -76.6 | 158.5 | 162.6 | -80.3 | -95 | 0 | 0 | 0 | 110.7 | | |
| 291 | P | 48 | Very low | 36.3 | Very low | 119 Ų | 119 | 135.1 Ų | 135.1 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | | | trans | -85.2 | 165.4 | -175.9 | 34.1 | -36.8 | 0 | 0 | 0 | 115 | | |
| 292 | A | 31.8 | Very low | 36.5 | Very low | 95 Ų | 95 | 132 Ų | 132 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | | | trans | 92.9 | 160.6 | 162.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 293 | I | 36.3 | Very low | 36.5 | Very low | 158 Ų | 158 | 131.3 Ų | 131.3 | 81% | 0.81 | 76% | 0.755 | S | S | * | * | | | trans | 76.4 | 93.1 | -178.6 | -48.5 | 175.7 | 0 | 0 | 0 | 113.5 | | |
| 294 | V | 38.9 | Very low | 36.1 | Very low | 124 Ų | 124 | 127.8 Ų | 127.8 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | | | | 74.6 | 87.8 | 64.9 | 177.3 | 0 | 0 | 0 | 0 | 111.5 | | |
| 295 | S | 35.8 | Very low | 36 | Very low | 104 Ų | 104 | 127.2 Ų | 127.2 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | | | | 115.6 | 169 | 87 | -84.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 296 | P | 46.4 | Very low | 35.7 | Very low | 119 Ų | 119 | 126.4 Ų | 126.4 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | | | cis | -131.9 | -172.1 | -19.4 | 34.9 | -15.2 | 0 | 0 | 0 | 114.5 | | |
| 297 | A | 27.7 | Very low | 35.4 | Very low | 82 Ų | 82 | 127 Ų | 127 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | | | trans | 101.6 | 133.4 | 139.2 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 298 | I | 29.8 | Very low | 35.2 | Very low | 154 Ų | 154 | 128.9 Ų | 128.9 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | | | trans | 83.1 | 123.1 | 140.9 | -75.8 | 165.7 | 0 | 0 | 0 | 121 | | |
| 299 | K | 36.2 | Very low | 35.4 | Very low | 178 Ų | 178 | 127 Ų | 127 | 77% | 0.774 | 75% | 0.754 | S | S | * | * | | | trans | 68.6 | 148 | 156.8 | -84.7 | 179.6 | 174.7 | -162.8 | 0 | 118.9 | | |
| 300 | Q | 31.1 | Very low | 34.9 | Very low | 153 Ų | 153 | 127.1 Ų | 127.1 | 72% | 0.715 | 76% | 0.759 | S | S | * | * | | | cis | -157 | 147.2 | -13.4 | -148.1 | 172.4 | -67.6 | 0 | 0 | 110.1 | | |
| 301 | E | 31.3 | Very low | 34.9 | Very low | 140 Ų | 140 | 126.7 Ų | 126.7 | 65% | 0.654 | 76% | 0.759 | S | S | * | * | | | trans | -65.1 | 148.8 | 160.8 | -99.8 | -75.1 | 117.4 | 0 | 0 | 110.2 | S303 | E301-S303 WeakPolarHBondContact OE2-CB 3.29Å; E301-S303 PolarHBondContact OE2-N 3.46Å; E301-S303 PolarHBondContact OE2-OG 3.22Å |
| 302 | P | 39.1 | Very low | 34.3 | Very low | 118 Ų | 118 | 130.5 Ų | 130.5 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | | | | -148.5 | 129.2 | 78.8 | 37 | -17.2 | 0 | 0 | 0 | 118.2 | | |
| 303 | S | 30.9 | Very low | 34.5 | Very low | 96 Ų | 96 | 130.3 Ų | 130.3 | 67% | 0.671 | 77% | 0.765 | S | S | * | * | | | | 8.7 | 136.2 | 124.4 | 12.7 | 0 | 0 | 0 | 0 | 119.4 | E301 | E301-S303 WeakPolarHBondContact OE2-CB 3.29Å; E301-S303 PolarHBondContact OE2-N 3.46Å; E301-S303 PolarHBondContact OE2-OG 3.22Å |
| 304 | G | 30.3 | Very low | 34.7 | Very low | 79 Ų | 79 | 132.8 Ų | 132.8 | 81% | 0.814 | 77% | 0.769 | S | S | * | * | | | trans | -176.2 | 79.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 305 | D | 33.3 | Very low | 34.5 | Very low | 150 Ų | 150 | 132.5 Ų | 132.5 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | | | trans | -69.5 | 150.5 | 167.3 | -68.9 | -76.9 | 0 | 0 | 0 | 112.5 | | |
| 306 | N | 29.6 | Very low | 34.7 | Very low | 144 Ų | 144 | 133 Ų | 133 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | | | trans | 178.4 | 113.9 | 130.1 | -100.6 | -77.8 | 0 | 0 | 0 | 113.7 | | |
| 307 | I | 33.5 | Very low | 34.1 | Very low | 147 Ų | 147 | 133.5 Ų | 133.5 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | | | trans | 26.2 | 118.3 | 143.4 | 50.1 | 166.9 | 0 | 0 | 0 | 123.3 | | |
| 308 | S | 31.5 | Very low | 35 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | | | | 63.9 | 165.9 | 111.8 | -140.7 | 0 | 0 | 0 | 0 | 121.4 | | |
| 309 | P | 48.5 | Very low | 35.1 | Very low | 109 Ų | 109 | 133.2 Ų | 133.2 | 71% | 0.708 | 78% | 0.778 | S | S | * | * | | | cis | -119.7 | 172.3 | -39 | 23.6 | -4.2 | 0 | 0 | 0 | 112.6 | | |
| 310 | S | 30.1 | Very low | 35.5 | Very low | 126 Ų | 126 | 134.1 Ų | 134.1 | 88% | 0.881 | 78% | 0.782 | S | S | * | * | | | trans | -144.7 | 143.6 | 147.5 | -169.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 311 | M | 33.5 | Very low | 36.1 | Very low | 155 Ų | 155 | 134.3 Ų | 134.3 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | | | trans | -111.4 | 135 | -163.9 | -56 | -179.7 | 75.7 | 0 | 0 | 112 | | |
| 312 | H | 35.7 | Very low | 36.7 | Very low | 198 Ų | 198 | 136.7 Ų | 136.7 | 92% | 0.917 | 79% | 0.792 | S | S | * | * | | | trans | -148.9 | 91.6 | 148.2 | -109.3 | 38.7 | 0 | 0 | 0 | 110.1 | | |
| 313 | A | 34.6 | Very low | 37.2 | Very low | 92 Ų | 92 | 137.1 Ų | 137.1 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | | | trans | -88.1 | 132.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 314 | K | 39.9 | Very low | 38.1 | Very low | 210 Ų | 210 | 137.5 Ų | 137.5 | 91% | 0.913 | 78% | 0.778 | S | S | * | * | | | trans | -130 | 128.3 | 153.3 | -69.3 | -171.4 | 178.6 | -179.6 | 0 | 107.3 | | |
| 315 | S | 35 | Very low | 39.4 | Very low | 117 Ų | 117 | 142.7 Ų | 142.7 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | trans | -99.8 | -174.3 | -162.4 | 75.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 316 | P | 40.5 | Very low | 40.6 | Very low | 115 Ų | 115 | 142.8 Ų | 142.8 | 75% | 0.747 | 77% | 0.771 | S | S | * | * | | | | -114.7 | 153.6 | -123 | 29.1 | -9.9 | 0 | 0 | 0 | 115.3 | | |
| 317 | V | 34.6 | Very low | 42.7 | Very low | 129 Ų | 129 | 140.6 Ų | 140.6 | 78% | 0.782 | 77% | 0.765 | S | S | * | * | | | trans | -104.5 | 123.7 | 165.6 | 179.8 | 0 | 0 | 0 | 0 | 108.9 | S319 | V317-S319 VanDerWaalsContact C-N 3.32Å; V317-S319 PolarHBondContact O-N 3.35Å |
| 318 | P | 45.8 | Very low | 44.8 | Very low | 122 Ų | 122 | 140 Ų | 140 | 79% | 0.792 | 76% | 0.758 | S | S | * | * | | | trans | -81.9 | 66.5 | -169 | 33.1 | -37.4 | 0 | 0 | 0 | 113.7 | K320 | P318-K320 PolarHBondContact O-N 2.56Å; P318-K320 VanDerWaalsContact O-N 3.14Å |
| 319 | S | 31.9 | Very low | 47.1 | Very low | 108 Ų | 108 | 136.2 Ų | 136.2 | 76% | 0.755 | 73% | 0.729 | S | S | * | * | | | trans | -77.9 | 91.8 | 173.5 | 61.1 | 0 | 0 | 0 | 0 | 112.2 | V317 K321 | V317-S319 VanDerWaalsContact C-N 3.32Å; V317-S319 PolarHBondContact O-N 3.35Å; S319-K321 PolarHBondContact O-N 3Å |
| 320 | K | 44.1 | Very low | 49 | Very low | 198 Ų | 198 | 138.4 Ų | 138.4 | 86% | 0.861 | 73% | 0.728 | S | S | * | * | | | trans | -54.1 | 107.6 | 168.9 | -66.3 | 179.8 | 178 | -177.7 | 0 | 111.7 | P318 | P318-K320 PolarHBondContact O-N 2.56Å; P318-K320 VanDerWaalsContact O-N 3.14Å |
| 321 | K | 43.6 | Very low | 52 | Low | 156 Ų | 156 | 136.7 Ų | 136.7 | 68% | 0.678 | 70% | 0.704 | S | S | * | * | | | trans | -179.2 | 65.8 | 153.2 | -100.5 | 150.1 | -165.3 | 163.9 | 0 | 113.6 | S319 E323 | S319-K321 PolarHBondContact O-N 3Å; K321-E323 PolarHBondContact O-N 3.23Å |
| 322 | E | 43.9 | Very low | 54.7 | Low | 191 Ų | 191 | 130.7 Ų | 130.7 | 89% | 0.893 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | 57.8 | 164 | -167.5 | 160.9 | -155.9 | 0 | 0 | 111 | | |
| 323 | E | 50.3 | Low | 57.4 | Low | 127 Ų | 127 | 124.1 Ų | 124.1 | 59% | 0.593 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.9 | -17.1 | 176.6 | -141 | -155.3 | 158.1 | 0 | 0 | 113.9 | K321 K325 K326 | K321-E323 PolarHBondContact O-N 3.23Å; E323-K325 PolarHBondContact O-N 3.12Å; E323-K326 IonicContact OE1-NZ 3.53Å; E323-K326 PolarHBondContact OE1-NZ 3.47Å |
| 324 | D | 50.9 | Low | 60.3 | Low | 104 Ų | 104 | 123.9 Ų | 123.9 | 56% | 0.556 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | 23.7 | -177.4 | -79.8 | -58.6 | 0 | 0 | 0 | 113.9 | K404 | D324-K404 VanDerWaalsContact CG-NZ 3.34Å; D324-K404 IonicContact OD1-NZ 3.94Å; D324-K404 PolarHBondContact OD1-NZ 2.91Å; D324-K404 IonicContact OD2-NZ 2.59Å; D324-K404 PolarHBondContact OD2-NZ 2.66Å |
| 325 | K | 56.1 | Low | 63 | Low | 187 Ų | 187 | 113.9 Ų | 113.9 | 81% | 0.813 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | -6 | 173.8 | -78.7 | -176 | 179.4 | 171.9 | 0 | 114.6 | E323 | E323-K325 PolarHBondContact O-N 3.12Š|
| 326 | K | 60 | Low | 65.8 | Low | 153 Ų | 153 | 111 Ų | 111 | 67% | 0.665 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -67.1 | 123.3 | 167.1 | -68.8 | 170.6 | -174.9 | 159.9 | 0 | 107.9 | E323 | E323-K326 IonicContact OE1-NZ 3.53Å; E323-K326 PolarHBondContact OE1-NZ 3.47Å |
| 327 | P | 73.4 | Confident | 68.5 | Low | 98 Ų | 98 | 109.8 Ų | 109.8 | 64% | 0.636 | 55% | 0.549 | S | S | * | . | | | trans | -61.3 | 148.5 | -176.3 | 24.6 | -33.8 | 0 | 0 | 0 | 111.1 | I329 | P327-I329 HydrophobicContact CG-CG1 4.46Å; P327-I329 PolarHBondContact O-N 3.12Å |
| 328 | H | 76.5 | Confident | 71.3 | Confident | 133 Ų | 133 | 104.9 Ų | 104.9 | 62% | 0.616 | 52% | 0.518 | S | S | * | . | | | trans | -71.6 | 79.2 | 179.8 | 178.1 | 58.1 | 0 | 0 | 0 | 111.5 | K330 N401 | H328-K330 PolarHBondContact O-N 3.39Å; H328-K330 VanDerWaalsContact O-N 3.15Å; H328-N401 PolarHBondContact CE1-OD1 3.23Å; H328-N401 PolarHBondContact ND1-OD1 2.86Å |
| 329 | I | 81 | Confident | 73.6 | Confident | 33 Ų | 33 | 99.4 Ų | 99.4 | 17% | 0.169 | 48% | 0.482 | C | S | . | . | | | trans | -66.7 | 110.1 | 174.8 | -64 | 152.4 | 0 | 0 | 0 | 107.9 | P327 H389 Y393 W396 N401 | P327-I329 HydrophobicContact CG-CG1 4.46Å; P327-I329 PolarHBondContact O-N 3.12Å; I329-H389 WeakPolarHBondContact CG2-CE1 3.39Å; I329-H389 WeakPolarHBondContact CG2-NE2 3.2Å; I329-Y393 HydrophobicContact CD1-CD1 3.45Å; I329-Y393 VanDerWaalsContact CD1-CD1 3.45Å; I329-Y393 HydrophobicContact CD1-CE1 3.89Å; I329-Y393 HydrophobicContact CD1-CG 3.9Å; I329-Y393 HydrophobicContact CG1-CD1 3.85Å; I329-Y393 HydrophobicContact CG1-CE1 3.82Å; I329-Y393 HydrophobicContact CG1-CG 4.23Å; I329-Y393 HydrophobicContact CG2-CD1 4.25Å; I329-Y393 HydrophobicContact CG2-CD2 3.5Å; I329-Y393 VanDerWaalsContact CG2-CD2 3.5Å; I329-Y393 HydrophobicContact CG2-CE1 4.44Å; I329-Y393 HydrophobicContact CG2-CE2 3.71Å; I329-Y393 HydrophobicContact CG2-CG 3.78Å; I329-W396 VanDerWaalsContact CG2-CD1 3.43Å; I329-W396 HydrophobicContact CG2-CG 4.15Å; I329-W396 PolarHBondContact O-NE1 2.96Å; I329-N401 PolarHBondContact O-ND2 3.35Å |
| 330 | K | 88.3 | Confident | 76.6 | Confident | 155 Ų | 155 | 95.5 Ų | 95.5 | 67% | 0.674 | 45% | 0.452 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 159.7 | 178.1 | -65 | 174.8 | -176.6 | 170.1 | 0 | 110.5 | H328 H389 | H328-K330 PolarHBondContact O-N 3.39Å; H328-K330 VanDerWaalsContact O-N 3.15Å; K330-H389 PolarHBondContact O-NE2 3.12Å |
| 331 | K | 91.8 | Very high | 78.9 | Confident | 90 Ų | 90 | 93.9 Ų | 93.9 | 39% | 0.391 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 142 | 174 | -66.1 | -176.9 | 156.9 | 166.1 | 0 | 110.8 | W396 Y402 | K331-W396 HydrophobicContact CB-CH2 4.2Å; K331-W396 HydrophobicContact CB-CZ2 4.38Å; K331-W396 HydrophobicContact CG-CH2 3.86Å; K331-W396 HydrophobicContact CG-CZ2 3.93Å; K331-Y402 HydrophobicContact CD-CE2 4.01Å; K331-Y402 HydrophobicContact CG-CE2 4.46Å; K331-Y402 VanDerWaalsContact NZ-CE2 3.27Å; K331-Y402 VanDerWaalsContact NZ-CZ 3.27Å; K331-Y402 PolarHBondContact NZ-OH 3Å |
| 332 | P | 91.7 | Very high | 81.2 | Confident | 28 Ų | 28 | 90.5 Ų | 90.5 | 18% | 0.182 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 146.5 | 169.5 | 24.5 | -31.8 | 0 | 0 | 0 | 110.5 | E385 R386 H389 | P332-E385 HydrophobicContact CB-CG 4.03Å; P332-R386 HydrophobicContact CG-CB 4.49Å; P332-R386 HydrophobicContact CG-CG 4.32Å; P332-H389 HydrophobicContact CB-CB 3.84Å; P332-H389 HydrophobicContact CG-CB 4.19Å |
| 333 | L | 92.4 | Very high | 83.5 | Confident | 61 Ų | 61 | 83 Ų | 83 | 32% | 0.319 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -75.3 | 130.6 | -174.1 | -84.1 | 65.7 | 0 | 0 | 0 | 111.2 | M337 L338 K341 E385 | L333-M337 HydrophobicContact CB-CB 4.07Å; L333-M337 HydrophobicContact CD2-CB 4.37Å; L333-M337 HydrophobicContact CG-CB 4.06Å; L333-L338 HydrophobicContact CB-CD2 3.65Å; L333-L338 HydrophobicContact CB-CG 3.95Å; L333-L338 HydrophobicContact CD2-CD2 3.86Å; L333-L338 HydrophobicContact CG-CD2 4.42Å; L333-K341 HydrophobicContact CD2-CD 4.4Å; L333-E385 HydrophobicContact CB-CG 4.44Å |
| 334 | N | 94.9 | Very high | 85.5 | Confident | 86 Ų | 86 | 80.4 Ų | 80.4 | 46% | 0.46 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -76 | 163.4 | 171.6 | -166.6 | 17.9 | 0 | 0 | 0 | 111.1 | F336 M337 L338 | N334-F336 PolarHBondContact O-N 3.41Å; N334-M337 HydrophobicContact CB-CG 4.23Å; N334-M337 WeakPolarHBondContact O-CA 3.44Å; N334-M337 VanDerWaalsContact O-CB 3.28Å; N334-M337 WeakPolarHBondContact O-CB 3.43Å; N334-M337 PolarHBondContact O-N 3.35Å; N334-L338 PolarHBondContact O-N 3.2Å |
| 335 | A | 95.6 | Very high | 87.3 | Confident | 1 Ų | 1 | 78.9 Ų | 78.9 | 1% | 0.008 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -49.8 | -51.6 | -176 | 0 | 0 | 0 | 0 | 0 | 113.2 | M337 L338 Y339 W367 Y378 Y379 A382 | A335-M337 VanDerWaalsContact C-N 3.28Å; A335-M337 PolarHBondContact O-N 3.45Å; A335-L338 WeakPolarHBondContact O-CB 3.27Å; A335-L338 PolarHBondContact O-N 3.05Å; A335-L338 VanDerWaalsContact O-N 3.13Å; A335-Y339 PolarHBondContact O-N 3.37Å; A335-W367 HydrophobicContact CB-CH2 3.75Å; A335-W367 HydrophobicContact CB-CZ2 4.29Å; A335-Y378 WeakPolarHBondContact CB-O 3.22Å; A335-Y379 HydrophobicContact CB-CD1 3.75Å; A335-Y379 HydrophobicContact CB-CE1 3.99Å; A335-Y379 HydrophobicContact CB-CG 4.08Å; A335-A382 HydrophobicContact CB-CB 4.17Å |
| 336 | F | 95.1 | Very high | 88.9 | Confident | 55 Ų | 55 | 74.1 Ų | 74.1 | 24% | 0.241 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.5 | -29.8 | 175.2 | 178.5 | -115.8 | 0 | 0 | 0 | 113.8 | N334 Y339 M340 W367 | N334-F336 PolarHBondContact O-N 3.41Å; F336-Y339 HydrophobicContact CD2-CD1 4.12Å; F336-Y339 HydrophobicContact CE2-CD1 4.23Å; F336-M340 HydrophobicContact CD1-CE 3.78Å; F336-M340 HydrophobicContact CD1-CG 4.47Å; F336-M340 HydrophobicContact CD1-SD 4.37Å; F336-M340 HydrophobicContact CD2-CG 4.34Å; F336-M340 HydrophobicContact CE1-CE 3.44Å; F336-M340 VanDerWaalsContact CE1-CE 3.44Å; F336-M340 HydrophobicContact CE1-CG 4.02Å; F336-M340 HydrophobicContact CE1-SD 3.58Å; F336-M340 VanDerWaalsContact CE1-SD 3.58Å; F336-M340 HydrophobicContact CE2-CG 3.88Å; F336-M340 HydrophobicContact CE2-SD 4.36Å; F336-M340 HydrophobicContact CZ-CE 4.07Å; F336-M340 HydrophobicContact CZ-CG 3.7Å; F336-M340 HydrophobicContact CZ-SD 3.57Å; F336-M340 VanDerWaalsContact CZ-SD 3.57Å; F336-M340 WeakPolarHBondContact O-CB 3.28Å; F336-M340 WeakPolarHBondContact O-CG 3.16Å; F336-M340 PolarHBondContact O-N 3.28Å; F336-W367 HydrophobicContact CB-CD2 4.3Å; F336-W367 HydrophobicContact CD2-CB 3.67Å; F336-W367 AromaticContact CD2-CD2 3.79Å; F336-W367 HydrophobicContact CD2-CD2 3.79Å; F336-W367 HydrophobicContact CD2-CE3 4.15Å; F336-W367 AromaticContact CD2-CG 3.54Å; F336-W367 HydrophobicContact CD2-CG 3.54Å; F336-W367 HydrophobicContact CE2-CB 3.72Å; F336-W367 HydrophobicContact CE2-CG 4.09Å; F336-W367 HydrophobicContact CG-CG 4.49Å |
| 337 | M | 96.1 | Very high | 90.2 | Very high | 91 Ų | 91 | 66.9 Ų | 66.9 | 45% | 0.448 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -72.2 | -34.6 | 175.1 | -58.4 | -59.6 | -54.9 | 0 | 0 | 111.8 | L333 N334 A335 M340 K341 | L333-M337 HydrophobicContact CB-CB 4.07Å; L333-M337 HydrophobicContact CD2-CB 4.37Å; L333-M337 HydrophobicContact CG-CB 4.06Å; N334-M337 HydrophobicContact CB-CG 4.23Å; N334-M337 WeakPolarHBondContact O-CA 3.44Å; N334-M337 VanDerWaalsContact O-CB 3.28Å; N334-M337 WeakPolarHBondContact O-CB 3.43Å; N334-M337 PolarHBondContact O-N 3.35Å; A335-M337 VanDerWaalsContact C-N 3.28Å; A335-M337 PolarHBondContact O-N 3.45Å; M337-M340 HydrophobicContact CE-CE 3.73Å; M337-M340 HydrophobicContact SD-CE 3.4Å; M337-M340 WeakPolarHBondContact SD-CE 3.44Å; M337-K341 WeakPolarHBondContact O-CB 3.42Å; M337-K341 PolarHBondContact O-N 3.13Å |
| 338 | L | 94.4 | Very high | 90.9 | Very high | 25 Ų | 25 | 65.9 Ų | 65.9 | 13% | 0.131 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -69 | -44.9 | 172.9 | -63.4 | 173.1 | 0 | 0 | 0 | 110.8 | L333 N334 A335 M340 K341 E342 Y378 L381 A382 | L333-L338 HydrophobicContact CB-CD2 3.65Å; L333-L338 HydrophobicContact CB-CG 3.95Å; L333-L338 HydrophobicContact CD2-CD2 3.86Å; L333-L338 HydrophobicContact CG-CD2 4.42Å; N334-L338 PolarHBondContact O-N 3.2Å; A335-L338 WeakPolarHBondContact O-CB 3.27Å; A335-L338 PolarHBondContact O-N 3.05Å; A335-L338 VanDerWaalsContact O-N 3.13Å; L338-M340 PolarHBondContact O-N 3.32Å; L338-K341 WeakPolarHBondContact O-CB 3.32Å; L338-K341 PolarHBondContact O-N 2.78Å; L338-K341 VanDerWaalsContact O-N 3.11Å; L338-E342 PolarHBondContact O-N 3.44Å; L338-Y378 HydrophobicContact CB-CD1 4.11Å; L338-L381 HydrophobicContact CD1-CB 3.69Å; L338-A382 HydrophobicContact CD1-CB 4.03Å |
| 339 | Y | 93.5 | Very high | 91.5 | Very high | 8 Ų | 8 | 63.8 Ų | 63.8 | 3% | 0.031 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.6 | -46.7 | 172.3 | 174.8 | -105.4 | 0 | 0 | 0 | 112.3 | A335 F336 K341 E342 M343 L363 R366 W367 L370 Y378 | A335-Y339 PolarHBondContact O-N 3.37Å; F336-Y339 HydrophobicContact CD2-CD1 4.12Å; F336-Y339 HydrophobicContact CE2-CD1 4.23Å; Y339-K341 VanDerWaalsContact C-N 3.32Å; Y339-K341 PolarHBondContact O-N 3.1Å; Y339-E342 PolarHBondContact O-N 3.36Å; Y339-M343 HydrophobicContact CD2-CE 4.47Å; Y339-M343 HydrophobicContact CD2-CG 3.74Å; Y339-M343 HydrophobicContact CE1-CB 4.38Å; Y339-M343 HydrophobicContact CE1-CG 4.28Å; Y339-M343 HydrophobicContact CE2-CB 4.23Å; Y339-M343 HydrophobicContact CE2-CE 4.1Å; Y339-M343 HydrophobicContact CE2-CG 3.29Å; Y339-M343 HydrophobicContact CE2-SD 4.48Å; Y339-M343 HydrophobicContact CG-CG 4.41Å; Y339-M343 PolarHBondContact O-N 3.06Å; Y339-L363 HydrophobicContact CE1-CD2 4.19Å; Y339-R366 WeakPolarHBondContact OH-CB 3.48Å; Y339-W367 HydrophobicContact CD1-CB 4.08Å; Y339-W367 AromaticContact CD1-CE3 3.78Å; Y339-W367 HydrophobicContact CD1-CE3 3.78Å; Y339-W367 HydrophobicContact CD2-CE3 4.2Å; Y339-W367 HydrophobicContact CE1-CB 3.94Å; Y339-W367 HydrophobicContact CE1-CE3 4.5Å; Y339-W367 AromaticContact CG-CE3 3.6Å; Y339-W367 HydrophobicContact CG-CE3 3.6Å; Y339-W367 HydrophobicContact CG-CZ3 4.12Å; Y339-L370 HydrophobicContact CD2-CD1 3.76Å; Y339-L370 HydrophobicContact CE2-CD1 3.59Å; Y339-L370 HydrophobicContact CE2-CD2 3.91Å; Y339-L370 HydrophobicContact CE2-CG 4.13Å; Y339-L370 HydrophobicContact CG-CD1 4.4Å; Y339-Y378 HydrophobicContact CD2-CD2 4.34Å; Y339-Y378 AromaticContact CD2-CE2 3.7Å; Y339-Y378 HydrophobicContact CD2-CE2 3.7Å; Y339-Y378 AromaticContact CD2-CZ 3.84Å |
| 340 | M | 94.1 | Very high | 91.6 | Very high | 25 Ų | 25 | 67.4 Ų | 67.4 | 12% | 0.123 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.8 | -35.2 | 174 | -77.6 | -160.3 | -65.3 | 0 | 0 | 112.9 | F336 M337 L338 E342 R344 L363 | F336-M340 HydrophobicContact CD1-CE 3.78Å; F336-M340 HydrophobicContact CD1-CG 4.47Å; F336-M340 HydrophobicContact CD1-SD 4.37Å; F336-M340 HydrophobicContact CD2-CG 4.34Å; F336-M340 HydrophobicContact CE1-CE 3.44Å; F336-M340 VanDerWaalsContact CE1-CE 3.44Å; F336-M340 HydrophobicContact CE1-CG 4.02Å; F336-M340 HydrophobicContact CE1-SD 3.58Å; F336-M340 VanDerWaalsContact CE1-SD 3.58Å; F336-M340 HydrophobicContact CE2-CG 3.88Å; F336-M340 HydrophobicContact CE2-SD 4.36Å; F336-M340 HydrophobicContact CZ-CE 4.07Å; F336-M340 HydrophobicContact CZ-CG 3.7Å; F336-M340 HydrophobicContact CZ-SD 3.57Å; F336-M340 VanDerWaalsContact CZ-SD 3.57Å; F336-M340 WeakPolarHBondContact O-CB 3.28Å; F336-M340 WeakPolarHBondContact O-CG 3.16Å; F336-M340 PolarHBondContact O-N 3.28Å; M337-M340 HydrophobicContact CE-CE 3.73Å; M337-M340 HydrophobicContact SD-CE 3.4Å; M337-M340 WeakPolarHBondContact SD-CE 3.44Å; L338-M340 PolarHBondContact O-N 3.32Å; M340-E342 PolarHBondContact O-N 3.45Å; M340-R344 WeakPolarHBondContact O-CB 3.36Å; M340-R344 PolarHBondContact O-N 2.75Å; M340-L363 HydrophobicContact CG-CB 4.24Å; M340-L363 HydrophobicContact CG-CD1 4.03Å; M340-L363 HydrophobicContact CG-CD2 4.42Å; M340-L363 HydrophobicContact CG-CG 4.47Å; M340-L363 HydrophobicContact SD-CD1 4.18Å |
| 341 | K | 93 | Very high | 91 | Very high | 165 Ų | 165 | 61.2 Ų | 61.2 | 72% | 0.717 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -59.6 | -36.4 | 176.2 | -176.5 | -173.1 | 174.3 | -171.2 | 0 | 111.4 | L333 M337 L338 Y339 | L333-K341 HydrophobicContact CD2-CD 4.4Å; M337-K341 WeakPolarHBondContact O-CB 3.42Å; M337-K341 PolarHBondContact O-N 3.13Å; L338-K341 WeakPolarHBondContact O-CB 3.32Å; L338-K341 PolarHBondContact O-N 2.78Å; L338-K341 VanDerWaalsContact O-N 3.11Å; Y339-K341 VanDerWaalsContact C-N 3.32Å; Y339-K341 PolarHBondContact O-N 3.1Å |
| 342 | E | 92.7 | Very high | 90.1 | Very high | 84 Ų | 84 | 63.5 Ų | 63.5 | 39% | 0.393 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -84.4 | -49.6 | 178.4 | -158.8 | -158.9 | 134.8 | 0 | 0 | 112.9 | L338 Y339 M340 K346 Y378 | L338-E342 PolarHBondContact O-N 3.44Å; Y339-E342 PolarHBondContact O-N 3.36Å; M340-E342 PolarHBondContact O-N 3.45Å; E342-K346 IonicContact OE1-NZ 2.66Å; E342-K346 PolarHBondContact OE1-NZ 2.8Å; E342-Y378 PolarHBondContact OE2-OH 2.94Å |
| 343 | M | 92.1 | Very high | 89 | Confident | 35 Ų | 35 | 66.5 Ų | 66.5 | 17% | 0.172 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -86.9 | -16.2 | -169.8 | -59.7 | -52.5 | 170.8 | 0 | 0 | 114.4 | Y339 A345 K346 V347 L363 | Y339-M343 HydrophobicContact CD2-CE 4.47Å; Y339-M343 HydrophobicContact CD2-CG 3.74Å; Y339-M343 HydrophobicContact CE1-CB 4.38Å; Y339-M343 HydrophobicContact CE1-CG 4.28Å; Y339-M343 HydrophobicContact CE2-CB 4.23Å; Y339-M343 HydrophobicContact CE2-CE 4.1Å; Y339-M343 HydrophobicContact CE2-CG 3.29Å; Y339-M343 HydrophobicContact CE2-SD 4.48Å; Y339-M343 HydrophobicContact CG-CG 4.41Å; Y339-M343 PolarHBondContact O-N 3.06Å; M343-A345 VanDerWaalsContact C-N 3.3Å; M343-A345 PolarHBondContact O-N 3.16Å; M343-K346 PolarHBondContact O-N 2.95Å; M343-K346 HydrophobicContact SD-CD 3.64Å; M343-K346 VanDerWaalsContact SD-CE 3.59Å; M343-K346 PolarHBondContact SD-NZ 2.98Å; M343-V347 WeakPolarHBondContact O-CG2 3.48Å; M343-V347 PolarHBondContact O-N 3.13Å; M343-L363 HydrophobicContact CB-CD2 3.71Å |
| 344 | R | 91.1 | Very high | 88.3 | Confident | 72 Ų | 72 | 73.4 Ų | 73.4 | 27% | 0.272 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.7 | -39.7 | -179.1 | -175.9 | -179.9 | -150 | 81.3 | 6.8 | 112.1 | M340 V348 S356 I359 N360 L363 | M340-R344 WeakPolarHBondContact O-CB 3.36Å; M340-R344 PolarHBondContact O-N 2.75Å; R344-V348 HydrophobicContact CG-CG2 4.25Å; R344-V348 VanDerWaalsContact O-CB 3.27Å; R344-V348 WeakPolarHBondContact O-CB 2.81Å; R344-V348 WeakPolarHBondContact O-CG2 3.32Å; R344-V348 PolarHBondContact O-N 2.91Å; R344-S356 PolarHBondContact NH2-OG 2.93Å; R344-I359 HydrophobicContact CG-CG2 4.31Å; R344-N360 VanDerWaalsContact CZ-OD1 3.26Å; R344-N360 PolarHBondContact NH1-OD1 3.44Å; R344-N360 PolarHBondContact NH2-OD1 3.22Å; R344-L363 HydrophobicContact CB-CD1 4.02Å; R344-L363 HydrophobicContact CG-CD1 4.17Å |
| 345 | A | 88.9 | Confident | 87.9 | Confident | 72 Ų | 72 | 75.3 Ų | 75.3 | 60% | 0.595 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -64.1 | -43.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | M343 V348 A349 | M343-A345 VanDerWaalsContact C-N 3.3Å; M343-A345 PolarHBondContact O-N 3.16Å; A345-V348 PolarHBondContact O-N 3.47Å; A345-A349 PolarHBondContact O-N 2.9Å |
| 346 | K | 90.9 | Very high | 87.5 | Confident | 87 Ų | 87 | 78.5 Ų | 78.5 | 38% | 0.378 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.4 | -50.6 | 178.7 | -46.3 | -174.3 | -160.7 | 170.5 | 0 | 110.7 | E342 M343 V348 A349 E350 | E342-K346 IonicContact OE1-NZ 2.66Å; E342-K346 PolarHBondContact OE1-NZ 2.8Å; M343-K346 PolarHBondContact O-N 2.95Å; M343-K346 HydrophobicContact SD-CD 3.64Å; M343-K346 VanDerWaalsContact SD-CE 3.59Å; M343-K346 PolarHBondContact SD-NZ 2.98Å; K346-V348 VanDerWaalsContact C-N 3.3Å; K346-V348 PolarHBondContact O-N 3.04Å; K346-A349 PolarHBondContact O-N 3.25Å; K346-E350 VanDerWaalsContact C-OE1 3.31Å; K346-E350 WeakPolarHBondContact CB-OE1 3.17Å; K346-E350 WeakPolarHBondContact O-CB 3.48Å; K346-E350 VanDerWaalsContact O-CG 3.26Å; K346-E350 WeakPolarHBondContact O-CG 3.31Å; K346-E350 PolarHBondContact O-N 2.66Å |
| 347 | V | 86.9 | Confident | 87.3 | Confident | 1 Ų | 1 | 78.7 Ų | 78.7 | 1% | 0.006 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -62.3 | -32.3 | 175.9 | 175 | 0 | 0 | 0 | 0 | 112.6 | M343 C351 I359 I362 L363 | M343-V347 WeakPolarHBondContact O-CG2 3.48Å; M343-V347 PolarHBondContact O-N 3.13Å; V347-C351 WeakPolarHBondContact O-CB 3.43Å; V347-C351 PolarHBondContact O-N 1.96Å; V347-I359 HydrophobicContact CG1-CG2 4.07Å; V347-I362 HydrophobicContact CG1-CB 4.14Å; V347-I362 HydrophobicContact CG1-CG2 3.77Å; V347-I362 HydrophobicContact CG2-CG2 4.44Å; V347-L363 HydrophobicContact CB-CD2 4.46Å; V347-L363 HydrophobicContact CG1-CG 4.49Å; V347-L363 HydrophobicContact CG2-CD2 3.88Å; V347-L363 HydrophobicContact CG2-CG 4.25Å |
| 348 | V | 88.7 | Confident | 87 | Confident | 76 Ų | 76 | 75.1 Ų | 75.1 | 46% | 0.461 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -71.6 | -31.2 | 174.4 | 164 | 0 | 0 | 0 | 0 | 112.5 | R344 A345 K346 I359 | R344-V348 HydrophobicContact CG-CG2 4.25Å; R344-V348 VanDerWaalsContact O-CB 3.27Å; R344-V348 WeakPolarHBondContact O-CB 2.81Å; R344-V348 WeakPolarHBondContact O-CG2 3.32Å; R344-V348 PolarHBondContact O-N 2.91Å; A345-V348 PolarHBondContact O-N 3.47Å; K346-V348 VanDerWaalsContact C-N 3.3Å; K346-V348 PolarHBondContact O-N 3.04Å; V348-I359 HydrophobicContact CG2-CD1 3.77Å; V348-I359 HydrophobicContact CG2-CG1 4.38Å; V348-I359 HydrophobicContact CG2-CG2 4.19Å |
| 349 | A | 87.9 | Confident | 86.7 | Confident | 89 Ų | 89 | 74.4 Ų | 74.4 | 74% | 0.736 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -78.2 | -39 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A345 K346 | A345-A349 PolarHBondContact O-N 2.9Å; K346-A349 PolarHBondContact O-N 3.25Å |
| 350 | E | 82.8 | Confident | 86.6 | Confident | 109 Ų | 109 | 77.3 Ų | 77.3 | 51% | 0.509 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -75 | -31.8 | 179 | -65.9 | 161 | -134.9 | 0 | 0 | 113.1 | K346 R366 | K346-E350 VanDerWaalsContact C-OE1 3.31Å; K346-E350 WeakPolarHBondContact CB-OE1 3.17Å; K346-E350 WeakPolarHBondContact O-CB 3.48Å; K346-E350 VanDerWaalsContact O-CG 3.26Å; K346-E350 WeakPolarHBondContact O-CG 3.31Å; K346-E350 PolarHBondContact O-N 2.66Å; E350-R366 IonicContact OE1-NH1 3.16Å; E350-R366 IonicContact OE2-CZ 2.92Å; E350-R366 IonicContact OE2-NH1 3.78Å; E350-R366 PolarHBondContact OE2-NH1 3.36Å; E350-R366 IonicContact OE2-NH2 2.56Å; E350-R366 PolarHBondContact OE2-NH2 3.49Å |
| 351 | C | 76.8 | Confident | 86.6 | Confident | 25 Ų | 25 | 81.6 Ų | 81.6 | 17% | 0.169 | 44% | 0.442 | C | S | . | . | | | trans | -102.5 | 111.2 | -175.7 | -162.7 | 0 | 0 | 0 | 0 | 111.4 | V347 L353 I362 | V347-C351 WeakPolarHBondContact O-CB 3.43Å; V347-C351 PolarHBondContact O-N 1.96Å; C351-L353 PolarHBondContact O-N 3.15Å; C351-L353 VanDerWaalsContact O-N 3.11Å; C351-I362 HydrophobicContact CB-CD1 4.33Å; C351-I362 VanDerWaalsContact SG-CD1 3.54Å |
| 352 | T | 72.9 | Confident | 86.6 | Confident | 138 Ų | 138 | 75.3 Ų | 75.3 | 85% | 0.847 | 42% | 0.416 | S | S | * | . | | | trans | -64.1 | -14.1 | 178.2 | 53.9 | 0 | 0 | 0 | 0 | 114.1 | K354 | T352-K354 PolarHBondContact O-N 2.98Š|
| 353 | L | 68.4 | Low | 86.7 | Confident | 91 Ų | 91 | 71.3 Ų | 71.3 | 48% | 0.476 | 40% | 0.397 | S | S | . | . | | | trans | -76.1 | 108.9 | 174.9 | -73.3 | 159.4 | 0 | 0 | 0 | 110.9 | C351 E355 | C351-L353 PolarHBondContact O-N 3.15Å; C351-L353 VanDerWaalsContact O-N 3.11Å; L353-E355 PolarHBondContact O-N 3.48Å |
| 354 | K | 77.4 | Confident | 86.8 | Confident | 206 Ų | 206 | 70.6 Ų | 70.6 | 90% | 0.896 | 40% | 0.398 | S | S | * | . | | | trans | -68 | 0.2 | 176.5 | -58.5 | 179.8 | -177.6 | 176.2 | 0 | 114 | T352 S356 | T352-K354 PolarHBondContact O-N 2.98Å; K354-S356 PolarHBondContact O-N 3.43Å |
| 355 | E | 86.8 | Confident | 87 | Confident | 126 Ų | 126 | 74.1 Ų | 74.1 | 59% | 0.589 | 41% | 0.412 | S | S | * | . | | | trans | -77.3 | 105.5 | -177.5 | -69.2 | -173.8 | -168.7 | 0 | 0 | 112.2 | L353 A357 A358 I359 | L353-E355 PolarHBondContact O-N 3.48Å; E355-A357 PolarHBondContact O-N 3.35Å; E355-A358 HydrophobicContact CB-CB 4.03Å; E355-A358 PolarHBondContact O-N 2.87Å; E355-I359 PolarHBondContact O-N 3.13Å |
| 356 | S | 86.5 | Confident | 87.3 | Confident | 68 Ų | 68 | 75.2 Ų | 75.2 | 48% | 0.476 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -52.2 | -27.8 | 175.9 | -165.9 | 0 | 0 | 0 | 0 | 113.5 | R344 K354 N360 | R344-S356 PolarHBondContact NH2-OG 2.93Å; K354-S356 PolarHBondContact O-N 3.43Å; S356-N360 WeakPolarHBondContact O-CB 3.48Å; S356-N360 PolarHBondContact O-N 2.73Å; S356-N360 PolarHBondContact O-ND2 2.88Å; S356-N360 PolarHBondContact O-OD1 3.3Å |
| 357 | A | 91.2 | Very high | 87.5 | Confident | 59 Ų | 59 | 71.8 Ų | 71.8 | 49% | 0.488 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -70.1 | -47.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E355 N360 Q361 | E355-A357 PolarHBondContact O-N 3.35Å; A357-N360 WeakPolarHBondContact O-CB 3.4Å; A357-N360 PolarHBondContact O-N 2.96Å; A357-Q361 WeakPolarHBondContact O-CG 3.35Å; A357-Q361 PolarHBondContact O-N 3.3Å |
| 358 | A | 89.8 | Confident | 87.9 | Confident | 17 Ų | 17 | 78.7 Ų | 78.7 | 14% | 0.14 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -63.2 | -43.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | E355 N360 Q361 I362 | E355-A358 HydrophobicContact CB-CB 4.03Å; E355-A358 PolarHBondContact O-N 2.87Å; A358-N360 VanDerWaalsContact C-N 3.31Å; A358-N360 PolarHBondContact O-N 3.45Å; A358-Q361 WeakPolarHBondContact O-CB 3.28Å; A358-Q361 PolarHBondContact O-N 2.82Å; A358-Q361 VanDerWaalsContact O-N 3.08Å; A358-I362 WeakPolarHBondContact O-CG1 3.39Å; A358-I362 PolarHBondContact O-N 2.91Å |
| 359 | I | 87.7 | Confident | 88.2 | Confident | 9 Ų | 9 | 79.7 Ų | 79.7 | 5% | 0.046 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -57.3 | -43 | 173.8 | -69.3 | 154.8 | 0 | 0 | 0 | 111.2 | R344 V347 V348 E355 Q361 I362 L363 | R344-I359 HydrophobicContact CG-CG2 4.31Å; V347-I359 HydrophobicContact CG1-CG2 4.07Å; V348-I359 HydrophobicContact CG2-CD1 3.77Å; V348-I359 HydrophobicContact CG2-CG1 4.38Å; V348-I359 HydrophobicContact CG2-CG2 4.19Å; E355-I359 PolarHBondContact O-N 3.13Å; I359-Q361 PolarHBondContact O-N 3.26Å; I359-I362 PolarHBondContact O-N 3.41Å; I359-L363 HydrophobicContact CG2-CD1 3.83Å; I359-L363 WeakPolarHBondContact O-CB 3.3Å; I359-L363 WeakPolarHBondContact O-CG 3.13Å; I359-L363 PolarHBondContact O-N 3.22Å |
| 360 | N | 92.8 | Very high | 88.5 | Confident | 69 Ų | 69 | 76.6 Ų | 76.6 | 37% | 0.369 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.2 | -36.7 | 175.2 | -72.5 | -12.9 | 0 | 0 | 0 | 112.8 | R344 S356 A357 A358 G364 | R344-N360 VanDerWaalsContact CZ-OD1 3.26Å; R344-N360 PolarHBondContact NH1-OD1 3.44Å; R344-N360 PolarHBondContact NH2-OD1 3.22Å; S356-N360 WeakPolarHBondContact O-CB 3.48Å; S356-N360 PolarHBondContact O-N 2.73Å; S356-N360 PolarHBondContact O-ND2 2.88Å; S356-N360 PolarHBondContact O-OD1 3.3Å; A357-N360 WeakPolarHBondContact O-CB 3.4Å; A357-N360 PolarHBondContact O-N 2.96Å; A358-N360 VanDerWaalsContact C-N 3.31Å; A358-N360 PolarHBondContact O-N 3.45Å; N360-G364 PolarHBondContact O-N 3.2Å |
| 361 | Q | 93.4 | Very high | 89.2 | Confident | 116 Ų | 116 | 73.7 Ų | 73.7 | 54% | 0.542 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -68 | -39.5 | 174.9 | -67 | 177.2 | 32.4 | 0 | 0 | 112 | A357 A358 I359 G364 R365 | A357-Q361 WeakPolarHBondContact O-CG 3.35Å; A357-Q361 PolarHBondContact O-N 3.3Å; A358-Q361 WeakPolarHBondContact O-CB 3.28Å; A358-Q361 PolarHBondContact O-N 2.82Å; A358-Q361 VanDerWaalsContact O-N 3.08Å; I359-Q361 PolarHBondContact O-N 3.26Å; Q361-G364 PolarHBondContact O-N 3.02Å; Q361-R365 PolarHBondContact O-N 3.41Å |
| 362 | I | 92.3 | Very high | 90 | Very high | 33 Ų | 33 | 82.4 Ų | 82.4 | 17% | 0.169 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -65.6 | -46.7 | 176.7 | -65.8 | 164 | 0 | 0 | 0 | 110.3 | V347 C351 A358 I359 G364 R365 R366 | V347-I362 HydrophobicContact CG1-CB 4.14Å; V347-I362 HydrophobicContact CG1-CG2 3.77Å; V347-I362 HydrophobicContact CG2-CG2 4.44Å; C351-I362 HydrophobicContact CB-CD1 4.33Å; C351-I362 VanDerWaalsContact SG-CD1 3.54Å; A358-I362 WeakPolarHBondContact O-CG1 3.39Å; A358-I362 PolarHBondContact O-N 2.91Å; I359-I362 PolarHBondContact O-N 3.41Å; I362-G364 VanDerWaalsContact C-N 3.32Å; I362-G364 PolarHBondContact O-N 3.4Å; I362-R365 PolarHBondContact O-N 2.83Å; I362-R366 HydrophobicContact CG2-CG 4.41Å; I362-R366 WeakPolarHBondContact O-CG 3.4Å; I362-R366 PolarHBondContact O-N 3.42Å |
| 363 | L | 94.6 | Very high | 91 | Very high | 0 Ų | 0 | 82 Ų | 82 | 0% | 0 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -59.5 | -41.8 | 173.2 | -75.4 | 161.7 | 0 | 0 | 0 | 111.9 | Y339 M340 M343 R344 V347 I359 W367 | Y339-L363 HydrophobicContact CE1-CD2 4.19Å; M340-L363 HydrophobicContact CG-CB 4.24Å; M340-L363 HydrophobicContact CG-CD1 4.03Å; M340-L363 HydrophobicContact CG-CD2 4.42Å; M340-L363 HydrophobicContact CG-CG 4.47Å; M340-L363 HydrophobicContact SD-CD1 4.18Å; M343-L363 HydrophobicContact CB-CD2 3.71Å; R344-L363 HydrophobicContact CB-CD1 4.02Å; R344-L363 HydrophobicContact CG-CD1 4.17Å; V347-L363 HydrophobicContact CB-CD2 4.46Å; V347-L363 HydrophobicContact CG1-CG 4.49Å; V347-L363 HydrophobicContact CG2-CD2 3.88Å; V347-L363 HydrophobicContact CG2-CG 4.25Å; I359-L363 HydrophobicContact CG2-CD1 3.83Å; I359-L363 WeakPolarHBondContact O-CB 3.3Å; I359-L363 WeakPolarHBondContact O-CG 3.13Å; I359-L363 PolarHBondContact O-N 3.22Å; L363-W367 WeakPolarHBondContact O-CB 3.48Å; L363-W367 PolarHBondContact O-N 3.08Å |
| 364 | G | 95.4 | Very high | 92.3 | Very high | 19 Ų | 19 | 82.2 Ų | 82.2 | 20% | 0.196 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -61.2 | -44.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | N360 Q361 I362 H368 | N360-G364 PolarHBondContact O-N 3.2Å; Q361-G364 PolarHBondContact O-N 3.02Å; I362-G364 VanDerWaalsContact C-N 3.32Å; I362-G364 PolarHBondContact O-N 3.4Å; G364-H368 PolarHBondContact O-ND1 3.15Å |
| 365 | R | 95.2 | Very high | 93.1 | Very high | 147 Ų | 147 | 74.2 Ų | 74.2 | 56% | 0.555 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -64 | -54 | 174 | -73.9 | -169.1 | -69.8 | -98.4 | 4.5 | 111.3 | Q361 I362 W367 H368 S369 | Q361-R365 PolarHBondContact O-N 3.41Å; I362-R365 PolarHBondContact O-N 2.83Å; R365-W367 VanDerWaalsContact C-N 3.27Å; R365-W367 PolarHBondContact O-N 3.39Å; R365-H368 PolarHBondContact O-N 2.75Å; R365-S369 PolarHBondContact O-N 3.43Å; R365-S369 VanDerWaalsContact O-N 3.14Å; R365-S369 PolarHBondContact O-OG 2.93Å; R365-S369 VanDerWaalsContact O-OG 3.1Å |
| 366 | R | 94.3 | Very high | 93.6 | Very high | 94 Ų | 94 | 70.1 Ų | 70.1 | 36% | 0.355 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -57 | -36.7 | -178.9 | -70 | -172.2 | -179.3 | -175.8 | 3 | 112.9 | Y339 E350 I362 H368 S369 L370 | Y339-R366 WeakPolarHBondContact OH-CB 3.48Å; E350-R366 IonicContact OE1-NH1 3.16Å; E350-R366 IonicContact OE2-CZ 2.92Å; E350-R366 IonicContact OE2-NH1 3.78Å; E350-R366 PolarHBondContact OE2-NH1 3.36Å; E350-R366 IonicContact OE2-NH2 2.56Å; E350-R366 PolarHBondContact OE2-NH2 3.49Å; I362-R366 HydrophobicContact CG2-CG 4.41Å; I362-R366 WeakPolarHBondContact O-CG 3.4Å; I362-R366 PolarHBondContact O-N 3.42Å; R366-H368 VanDerWaalsContact C-N 3.35Å; R366-H368 PolarHBondContact O-N 3.36Å; R366-S369 CarbonylContact O-C 3.59Å; R366-S369 WeakPolarHBondContact O-CA 3.45Å; R366-S369 WeakPolarHBondContact O-CB 3.34Å; R366-S369 PolarHBondContact O-N 3.01Å; R366-L370 PolarHBondContact O-N 2.87Å; R366-L370 VanDerWaalsContact O-N 3.11Å |
| 367 | W | 96 | Very high | 94 | Very high | 15 Ų | 15 | 73.1 Ų | 73.1 | 6% | 0.057 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -58.4 | -42.3 | 174.5 | 169.9 | -94.8 | 0 | 0 | 0 | 113.1 | A335 F336 Y339 L363 R365 S369 L370 Q375 Y378 Y379 | A335-W367 HydrophobicContact CB-CH2 3.75Å; A335-W367 HydrophobicContact CB-CZ2 4.29Å; F336-W367 HydrophobicContact CB-CD2 4.3Å; F336-W367 HydrophobicContact CD2-CB 3.67Å; F336-W367 AromaticContact CD2-CD2 3.79Å; F336-W367 HydrophobicContact CD2-CD2 3.79Å; F336-W367 HydrophobicContact CD2-CE3 4.15Å; F336-W367 AromaticContact CD2-CG 3.54Å; F336-W367 HydrophobicContact CD2-CG 3.54Å; F336-W367 HydrophobicContact CE2-CB 3.72Å; F336-W367 HydrophobicContact CE2-CG 4.09Å; F336-W367 HydrophobicContact CG-CG 4.49Å; Y339-W367 HydrophobicContact CD1-CB 4.08Å; Y339-W367 AromaticContact CD1-CE3 3.78Å; Y339-W367 HydrophobicContact CD1-CE3 3.78Å; Y339-W367 HydrophobicContact CD2-CE3 4.2Å; Y339-W367 HydrophobicContact CE1-CB 3.94Å; Y339-W367 HydrophobicContact CE1-CE3 4.5Å; Y339-W367 AromaticContact CG-CE3 3.6Å; Y339-W367 HydrophobicContact CG-CE3 3.6Å; Y339-W367 HydrophobicContact CG-CZ3 4.12Å; L363-W367 WeakPolarHBondContact O-CB 3.48Å; L363-W367 PolarHBondContact O-N 3.08Å; R365-W367 VanDerWaalsContact C-N 3.27Å; R365-W367 PolarHBondContact O-N 3.39Å; W367-S369 VanDerWaalsContact C-N 3.26Å; W367-S369 PolarHBondContact O-N 2.87Å; W367-L370 HydrophobicContact CD2-CD1 4.39Å; W367-L370 HydrophobicContact CE3-CD1 3.63Å; W367-L370 HydrophobicContact CZ3-CD1 3.95Å; W367-L370 WeakPolarHBondContact O-CB 3.22Å; W367-L370 PolarHBondContact O-N 3.27Å; W367-Q375 HydrophobicContact CH2-CB 4.11Å; W367-Q375 HydrophobicContact CH2-CG 4.07Å; W367-Q375 HydrophobicContact CZ2-CB 4.24Å; W367-Q375 HydrophobicContact CZ2-CG 4.01Å; W367-Q375 HydrophobicContact CZ3-CG 4.43Å; W367-Y378 AromaticContact CZ3-CD2 3.83Å; W367-Y378 HydrophobicContact CZ3-CD2 3.83Å; W367-Y378 HydrophobicContact CZ3-CG 4.07Å; W367-Y379 HydrophobicContact CH2-CE2 4.45Å; W367-Y379 HydrophobicContact CZ2-CE2 4.08Å |
| 368 | H | 94.6 | Very high | 94.3 | Very high | 146 Ų | 146 | 71 Ų | 71 | 68% | 0.676 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -77.6 | -13 | 176.4 | -61.4 | 91.5 | 0 | 0 | 0 | 112.8 | G364 R365 R366 | G364-H368 PolarHBondContact O-ND1 3.15Å; R365-H368 PolarHBondContact O-N 2.75Å; R366-H368 VanDerWaalsContact C-N 3.35Å; R366-H368 PolarHBondContact O-N 3.36Å |
| 369 | S | 95.8 | Very high | 94.6 | Very high | 98 Ų | 98 | 76 Ų | 76 | 69% | 0.685 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -86.9 | -12.5 | 172.1 | -48 | 0 | 0 | 0 | 0 | 113.7 | R365 R366 W367 | R365-S369 PolarHBondContact O-N 3.43Å; R365-S369 VanDerWaalsContact O-N 3.14Å; R365-S369 PolarHBondContact O-OG 2.93Å; R365-S369 VanDerWaalsContact O-OG 3.1Å; R366-S369 CarbonylContact O-C 3.59Å; R366-S369 WeakPolarHBondContact O-CA 3.45Å; R366-S369 WeakPolarHBondContact O-CB 3.34Å; R366-S369 PolarHBondContact O-N 3.01Å; W367-S369 VanDerWaalsContact C-N 3.26Å; W367-S369 PolarHBondContact O-N 2.87Å |
| 370 | L | 94.1 | Very high | 95 | Very high | 24 Ų | 24 | 80 Ų | 80 | 13% | 0.126 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -65.9 | 148.9 | 174.4 | -65.8 | -180 | 0 | 0 | 0 | 111.1 | Y339 R366 W367 E374 Q375 Y378 | Y339-L370 HydrophobicContact CD2-CD1 3.76Å; Y339-L370 HydrophobicContact CE2-CD1 3.59Å; Y339-L370 HydrophobicContact CE2-CD2 3.91Å; Y339-L370 HydrophobicContact CE2-CG 4.13Å; Y339-L370 HydrophobicContact CG-CD1 4.4Å; R366-L370 PolarHBondContact O-N 2.87Å; R366-L370 VanDerWaalsContact O-N 3.11Å; W367-L370 HydrophobicContact CD2-CD1 4.39Å; W367-L370 HydrophobicContact CE3-CD1 3.63Å; W367-L370 HydrophobicContact CZ3-CD1 3.95Å; W367-L370 WeakPolarHBondContact O-CB 3.22Å; W367-L370 PolarHBondContact O-N 3.27Å; L370-E374 WeakPolarHBondContact CA-OE2 3.47Å; L370-E374 HydrophobicContact CB-CB 4.1Å; L370-E374 WeakPolarHBondContact CD2-OE2 3.49Å; L370-Q375 HydrophobicContact CB-CG 3.8Å; L370-Q375 HydrophobicContact CD1-CG 4.2Å; L370-Q375 PolarHBondContact O-NE2 2.87Å; L370-Y378 HydrophobicContact CD1-CD2 4.4Å; L370-Y378 HydrophobicContact CD1-CE2 4.29Å |
| 371 | S | 97.1 | Very high | 95.2 | Very high | 47 Ų | 47 | 80.4 Ų | 80.4 | 33% | 0.329 | 38% | 0.38 | S | S | . | . | | | trans | -60.7 | 159.4 | 171.3 | 106.7 | 0 | 0 | 0 | 0 | 111.4 | E373 E374 Q375 | S371-E373 WeakPolarHBondContact CB-OE2 3.36Å; S371-E373 PolarHBondContact O-N 3.06Å; S371-E373 PolarHBondContact OG-N 3.49Å; S371-E373 PolarHBondContact OG-OE2 3.08Å; S371-E374 PolarHBondContact N-OE2 3.4Å; S371-E374 PolarHBondContact O-N 3.48Å; S371-E374 PolarHBondContact OG-N 2.96Å; S371-E374 VanDerWaalsContact OG-N 3.12Å; S371-Q375 WeakPolarHBondContact O-CG 3.42Å; S371-Q375 PolarHBondContact O-N 2.86Å |
| 372 | R | 94.1 | Very high | 95.3 | Very high | 209 Ų | 209 | 75.1 Ų | 75.1 | 79% | 0.789 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -65.9 | -28.6 | 179.7 | -173.5 | 176.3 | -176.4 | 169.7 | -0.2 | 111.5 | A376 | R372-A376 VanDerWaalsContact O-CB 3.27Å; R372-A376 WeakPolarHBondContact O-CB 3.46Å; R372-A376 PolarHBondContact O-N 3Å |
| 373 | E | 94.3 | Very high | 95.5 | Very high | 130 Ų | 130 | 80.8 Ų | 80.8 | 61% | 0.607 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -74.6 | -44 | 178.7 | -53.5 | 63.6 | -131.1 | 0 | 0 | 110.4 | S371 A376 K377 | S371-E373 WeakPolarHBondContact CB-OE2 3.36Å; S371-E373 PolarHBondContact O-N 3.06Å; S371-E373 PolarHBondContact OG-N 3.49Å; S371-E373 PolarHBondContact OG-OE2 3.08Å; E373-A376 WeakPolarHBondContact O-CB 3.39Å; E373-A376 PolarHBondContact O-N 3.42Å; E373-K377 PolarHBondContact O-N 3.45Å |
| 374 | E | 94.5 | Very high | 95.6 | Very high | 94 Ų | 94 | 86.4 Ų | 86.4 | 44% | 0.439 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.6 | -44.5 | 170.6 | -68.8 | -175.8 | 114.8 | 0 | 0 | 111.6 | L370 S371 K377 Y378 | L370-E374 WeakPolarHBondContact CA-OE2 3.47Å; L370-E374 HydrophobicContact CB-CB 4.1Å; L370-E374 WeakPolarHBondContact CD2-OE2 3.49Å; S371-E374 PolarHBondContact N-OE2 3.4Å; S371-E374 PolarHBondContact O-N 3.48Å; S371-E374 PolarHBondContact OG-N 2.96Å; S371-E374 VanDerWaalsContact OG-N 3.12Å; E374-K377 WeakPolarHBondContact O-CB 3.44Å; E374-K377 PolarHBondContact O-N 3.02Å; E374-Y378 WeakPolarHBondContact O-CD2 3.27Å; E374-Y378 PolarHBondContact O-N 3.26Å |
| 375 | Q | 95.1 | Very high | 95.5 | Very high | 39 Ų | 39 | 88.9 Ų | 88.9 | 18% | 0.182 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -63.2 | -42 | 174.4 | -68.8 | -179.8 | 53.2 | 0 | 0 | 111.2 | W367 L370 S371 K377 Y378 Y379 | W367-Q375 HydrophobicContact CH2-CB 4.11Å; W367-Q375 HydrophobicContact CH2-CG 4.07Å; W367-Q375 HydrophobicContact CZ2-CB 4.24Å; W367-Q375 HydrophobicContact CZ2-CG 4.01Å; W367-Q375 HydrophobicContact CZ3-CG 4.43Å; L370-Q375 HydrophobicContact CB-CG 3.8Å; L370-Q375 HydrophobicContact CD1-CG 4.2Å; L370-Q375 PolarHBondContact O-NE2 2.87Å; S371-Q375 WeakPolarHBondContact O-CG 3.42Å; S371-Q375 PolarHBondContact O-N 2.86Å; Q375-K377 PolarHBondContact O-N 3.24Å; Q375-Y378 PolarHBondContact O-N 3.37Å; Q375-Y378 VanDerWaalsContact O-N 3.08Å; Q375-Y379 HydrophobicContact CB-CD2 4.36Å; Q375-Y379 HydrophobicContact CB-CE2 4.16Å; Q375-Y379 WeakPolarHBondContact O-CD2 3.46Å; Q375-Y379 PolarHBondContact O-N 3.04Å |
| 376 | A | 96.3 | Very high | 95.5 | Very high | 40 Ų | 40 | 89.5 Ų | 89.5 | 33% | 0.331 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -58.1 | -43.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R372 E373 Y378 Y379 E380 | R372-A376 VanDerWaalsContact O-CB 3.27Å; R372-A376 WeakPolarHBondContact O-CB 3.46Å; R372-A376 PolarHBondContact O-N 3Å; E373-A376 WeakPolarHBondContact O-CB 3.39Å; E373-A376 PolarHBondContact O-N 3.42Å; A376-Y378 VanDerWaalsContact C-N 3.3Å; A376-Y378 PolarHBondContact O-N 2.93Å; A376-Y379 CarbonylContact O-C 3.57Å; A376-Y379 WeakPolarHBondContact O-CA 3.46Å; A376-Y379 WeakPolarHBondContact O-CB 3.35Å; A376-Y379 PolarHBondContact O-N 3.24Å; A376-E380 PolarHBondContact O-N 2.76Å |
| 377 | K | 96.3 | Very high | 95.5 | Very high | 130 Ų | 130 | 89.7 Ų | 89.7 | 57% | 0.565 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -52.4 | -45 | 172 | 175.5 | -175.8 | 175.8 | -175.8 | 0 | 112.1 | E373 E374 Q375 L381 | E373-K377 PolarHBondContact O-N 3.45Å; E374-K377 WeakPolarHBondContact O-CB 3.44Å; E374-K377 PolarHBondContact O-N 3.02Å; Q375-K377 PolarHBondContact O-N 3.24Å; K377-L381 HydrophobicContact CG-CD1 4.3Å; K377-L381 VanDerWaalsContact O-CG 3.28Å; K377-L381 WeakPolarHBondContact O-CG 3.45Å; K377-L381 PolarHBondContact O-N 2.88Å |
| 378 | Y | 96.1 | Very high | 95.5 | Very high | 15 Ų | 15 | 93 Ų | 93 | 6% | 0.059 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -73.4 | -29.8 | 176.3 | -67.3 | -71.3 | 0 | 0 | 0 | 113.3 | A335 L338 Y339 E342 W367 L370 E374 Q375 A376 L381 A382 | A335-Y378 WeakPolarHBondContact CB-O 3.22Å; L338-Y378 HydrophobicContact CB-CD1 4.11Å; Y339-Y378 HydrophobicContact CD2-CD2 4.34Å; Y339-Y378 AromaticContact CD2-CE2 3.7Å; Y339-Y378 HydrophobicContact CD2-CE2 3.7Å; Y339-Y378 AromaticContact CD2-CZ 3.84Å; E342-Y378 PolarHBondContact OE2-OH 2.94Å; W367-Y378 AromaticContact CZ3-CD2 3.83Å; W367-Y378 HydrophobicContact CZ3-CD2 3.83Å; W367-Y378 HydrophobicContact CZ3-CG 4.07Å; L370-Y378 HydrophobicContact CD1-CD2 4.4Å; L370-Y378 HydrophobicContact CD1-CE2 4.29Å; E374-Y378 WeakPolarHBondContact O-CD2 3.27Å; E374-Y378 PolarHBondContact O-N 3.26Å; Q375-Y378 PolarHBondContact O-N 3.37Å; Q375-Y378 VanDerWaalsContact O-N 3.08Å; A376-Y378 VanDerWaalsContact C-N 3.3Å; A376-Y378 PolarHBondContact O-N 2.93Å; Y378-L381 HydrophobicContact CD1-CD1 4.31Å; Y378-A382 VanDerWaalsContact O-CB 3.3Å; Y378-A382 WeakPolarHBondContact O-CB 3.33Å; Y378-A382 PolarHBondContact O-N 3.08Å |
| 379 | Y | 97.1 | Very high | 95.4 | Very high | 121 Ų | 121 | 87 Ų | 87 | 48% | 0.475 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -67.5 | -39.2 | 171.6 | -77.5 | -67.4 | 0 | 0 | 0 | 112.6 | A335 W367 Q375 A376 A382 R383 | A335-Y379 HydrophobicContact CB-CD1 3.75Å; A335-Y379 HydrophobicContact CB-CE1 3.99Å; A335-Y379 HydrophobicContact CB-CG 4.08Å; W367-Y379 HydrophobicContact CH2-CE2 4.45Å; W367-Y379 HydrophobicContact CZ2-CE2 4.08Å; Q375-Y379 HydrophobicContact CB-CD2 4.36Å; Q375-Y379 HydrophobicContact CB-CE2 4.16Å; Q375-Y379 WeakPolarHBondContact O-CD2 3.46Å; Q375-Y379 PolarHBondContact O-N 3.04Å; A376-Y379 CarbonylContact O-C 3.57Å; A376-Y379 WeakPolarHBondContact O-CA 3.46Å; A376-Y379 WeakPolarHBondContact O-CB 3.35Å; A376-Y379 PolarHBondContact O-N 3.24Å; Y379-A382 PolarHBondContact O-N 3.33Å; Y379-R383 WeakPolarHBondContact O-CB 3.4Å; Y379-R383 PolarHBondContact O-N 2.81Å |
| 380 | E | 96.7 | Very high | 95.3 | Very high | 93 Ų | 93 | 85.7 Ų | 85.7 | 44% | 0.435 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.3 | -45.7 | 172.7 | -74.6 | -170.6 | -167.6 | 0 | 0 | 112.3 | A376 A382 R383 K384 | A376-E380 PolarHBondContact O-N 2.76Å; E380-A382 VanDerWaalsContact C-N 3.27Å; E380-A382 PolarHBondContact O-N 3.47Å; E380-R383 WeakPolarHBondContact O-CB 3.45Å; E380-R383 PolarHBondContact O-N 2.93Å; E380-R383 VanDerWaalsContact O-N 3.08Å; E380-K384 WeakPolarHBondContact O-CG 3.28Å; E380-K384 PolarHBondContact O-N 2.85Å; E380-K384 IonicContact OE2-NZ 2.66Å |
| 381 | L | 95.3 | Very high | 95.2 | Very high | 78 Ų | 78 | 91.4 Ų | 91.4 | 41% | 0.408 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -59.7 | -40.1 | 175.2 | -70.7 | 166.5 | 0 | 0 | 0 | 111 | L338 K377 Y378 R383 K384 E385 | L338-L381 HydrophobicContact CD1-CB 3.69Å; K377-L381 HydrophobicContact CG-CD1 4.3Å; K377-L381 VanDerWaalsContact O-CG 3.28Å; K377-L381 WeakPolarHBondContact O-CG 3.45Å; K377-L381 PolarHBondContact O-N 2.88Å; Y378-L381 HydrophobicContact CD1-CD1 4.31Å; L381-R383 VanDerWaalsContact C-N 3.34Å; L381-R383 PolarHBondContact O-N 3.13Å; L381-K384 PolarHBondContact O-N 3.02Å; L381-E385 VanDerWaalsContact O-CB 3.22Å; L381-E385 WeakPolarHBondContact O-CB 3.4Å; L381-E385 PolarHBondContact O-N 2.95Å |
| 382 | A | 96.8 | Very high | 95 | Very high | 5 Ų | 5 | 94.2 Ų | 94.2 | 4% | 0.041 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -70.2 | -26 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | A335 L338 Y378 Y379 E380 R386 | A335-A382 HydrophobicContact CB-CB 4.17Å; L338-A382 HydrophobicContact CD1-CB 4.03Å; Y378-A382 VanDerWaalsContact O-CB 3.3Å; Y378-A382 WeakPolarHBondContact O-CB 3.33Å; Y378-A382 PolarHBondContact O-N 3.08Å; Y379-A382 PolarHBondContact O-N 3.33Å; E380-A382 VanDerWaalsContact C-N 3.27Å; E380-A382 PolarHBondContact O-N 3.47Å; A382-R386 VanDerWaalsContact O-CB 3.32Å; A382-R386 WeakPolarHBondContact O-CB 3.44Å; A382-R386 PolarHBondContact O-N 3.31Å; A382-R386 VanDerWaalsContact O-N 3.15Å |
| 383 | R | 96.3 | Very high | 94.7 | Very high | 152 Ų | 152 | 88.8 Ų | 88.8 | 57% | 0.574 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -71 | -49 | 171 | -170.5 | -172.7 | -67.9 | 138.8 | -3.5 | 110.2 | Y379 E380 L381 R386 Q387 | Y379-R383 WeakPolarHBondContact O-CB 3.4Å; Y379-R383 PolarHBondContact O-N 2.81Å; E380-R383 WeakPolarHBondContact O-CB 3.45Å; E380-R383 PolarHBondContact O-N 2.93Å; E380-R383 VanDerWaalsContact O-N 3.08Å; L381-R383 VanDerWaalsContact C-N 3.34Å; L381-R383 PolarHBondContact O-N 3.13Å; R383-R386 PolarHBondContact O-N 3.11Å; R383-Q387 WeakPolarHBondContact O-CG 3.47Å; R383-Q387 PolarHBondContact O-N 3.33Å; R383-Q387 PolarHBondContact O-OE1 3.06Å |
| 384 | K | 95.9 | Very high | 94.5 | Very high | 119 Ų | 119 | 87.8 Ų | 87.8 | 52% | 0.517 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.2 | -46.7 | 176.3 | -71.7 | 168.2 | 177.3 | 164 | 0 | 111.6 | E380 L381 R386 Q387 L388 | E380-K384 WeakPolarHBondContact O-CG 3.28Å; E380-K384 PolarHBondContact O-N 2.85Å; E380-K384 IonicContact OE2-NZ 2.66Å; L381-K384 PolarHBondContact O-N 3.02Å; K384-R386 VanDerWaalsContact C-N 3.33Å; K384-R386 PolarHBondContact O-N 2.96Å; K384-Q387 PolarHBondContact O-N 2.93Å; K384-L388 WeakPolarHBondContact O-CB 3.39Å; K384-L388 PolarHBondContact O-N 3.45Å |
| 385 | E | 94.8 | Very high | 94 | Very high | 71 Ų | 71 | 87.2 Ų | 87.2 | 33% | 0.332 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -57.7 | -42.6 | 173.7 | 179.9 | 75 | -168 | 0 | 0 | 111.8 | P332 L333 L381 H389 | P332-E385 HydrophobicContact CB-CG 4.03Å; L333-E385 HydrophobicContact CB-CG 4.44Å; L381-E385 VanDerWaalsContact O-CB 3.22Å; L381-E385 WeakPolarHBondContact O-CB 3.4Å; L381-E385 PolarHBondContact O-N 2.95Å; E385-H389 WeakPolarHBondContact O-CB 3.2Å; E385-H389 PolarHBondContact O-N 3.1Å |
| 386 | R | 94 | Very high | 93.6 | Very high | 160 Ų | 160 | 88.3 Ų | 88.3 | 60% | 0.604 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -67.8 | -41.7 | 176.8 | -171.5 | -171.3 | -56 | -176.1 | 3.3 | 112.3 | P332 A382 R383 K384 H389 S390 | P332-R386 HydrophobicContact CG-CB 4.49Å; P332-R386 HydrophobicContact CG-CG 4.32Å; A382-R386 VanDerWaalsContact O-CB 3.32Å; A382-R386 WeakPolarHBondContact O-CB 3.44Å; A382-R386 PolarHBondContact O-N 3.31Å; A382-R386 VanDerWaalsContact O-N 3.15Å; R383-R386 PolarHBondContact O-N 3.11Å; K384-R386 VanDerWaalsContact C-N 3.33Å; K384-R386 PolarHBondContact O-N 2.96Å; R386-H389 PolarHBondContact O-N 3.05Å; R386-S390 PolarHBondContact O-N 3.22Å; R386-S390 PolarHBondContact O-OG 3.22Å |
| 387 | Q | 95 | Very high | 93.1 | Very high | 97 Ų | 97 | 88.7 Ų | 88.7 | 45% | 0.453 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.2 | -51.4 | 177.2 | -73.9 | 167.4 | -53.1 | 0 | 0 | 110.7 | R383 K384 H389 S390 Q391 | R383-Q387 WeakPolarHBondContact O-CG 3.47Å; R383-Q387 PolarHBondContact O-N 3.33Å; R383-Q387 PolarHBondContact O-OE1 3.06Å; K384-Q387 PolarHBondContact O-N 2.93Å; Q387-H389 VanDerWaalsContact C-N 3.3Å; Q387-H389 PolarHBondContact O-N 3.14Å; Q387-S390 WeakPolarHBondContact CA-OG 3.46Å; Q387-S390 PolarHBondContact O-N 2.94Å; Q387-S390 VanDerWaalsContact O-N 3.13Å; Q387-S390 PolarHBondContact O-OG 2.87Å; Q387-Q391 WeakPolarHBondContact O-CG 3.4Å; Q387-Q391 PolarHBondContact O-N 2.86Å |
| 388 | L | 94.5 | Very high | 92.4 | Very high | 84 Ų | 84 | 84.4 Ų | 84.4 | 44% | 0.44 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -56.4 | -43.7 | 175.1 | 179.8 | 63.2 | 0 | 0 | 0 | 111.5 | K384 S390 Q391 L392 | K384-L388 WeakPolarHBondContact O-CB 3.39Å; K384-L388 PolarHBondContact O-N 3.45Å; L388-S390 PolarHBondContact O-N 3.11Å; L388-Q391 PolarHBondContact O-N 2.55Å; L388-L392 HydrophobicContact CD1-CD1 3.93Å; L388-L392 HydrophobicContact CD1-CG 4.04Å; L388-L392 HydrophobicContact CG-CD1 3.84Å; L388-L392 HydrophobicContact CG-CG 4.34Å; L388-L392 WeakPolarHBondContact O-CB 3.18Å; L388-L392 VanDerWaalsContact O-CG 3.31Å; L388-L392 WeakPolarHBondContact O-CG 3.13Å; L388-L392 PolarHBondContact O-N 3.3Å |
| 389 | H | 93.1 | Very high | 91.3 | Very high | 21 Ų | 21 | 93.4 Ų | 93.4 | 10% | 0.097 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 176.2 | -170.7 | -73.5 | 0 | 0 | 0 | 112.5 | I329 K330 P332 E385 R386 Q387 Q391 L392 Y393 W396 | I329-H389 WeakPolarHBondContact CG2-CE1 3.39Å; I329-H389 WeakPolarHBondContact CG2-NE2 3.2Å; K330-H389 PolarHBondContact O-NE2 3.12Å; P332-H389 HydrophobicContact CB-CB 3.84Å; P332-H389 HydrophobicContact CG-CB 4.19Å; E385-H389 WeakPolarHBondContact O-CB 3.2Å; E385-H389 PolarHBondContact O-N 3.1Å; R386-H389 PolarHBondContact O-N 3.05Å; Q387-H389 VanDerWaalsContact C-N 3.3Å; Q387-H389 PolarHBondContact O-N 3.14Å; H389-Q391 VanDerWaalsContact C-N 3.32Å; H389-Q391 PolarHBondContact O-N 3.22Å; H389-L392 PolarHBondContact O-N 3.12Å; H389-Y393 AromaticContact CD2-CD2 3.92Å; H389-Y393 AromaticContact CE1-CD2 3.98Å; H389-Y393 AromaticContact ND1-CD2 3.95Å; H389-Y393 WeakPolarHBondContact O-CB 3.27Å; H389-Y393 WeakPolarHBondContact O-CD2 3Å; H389-Y393 PolarHBondContact O-N 2.96Å; H389-W396 AromaticContact CE1-CD1 3.19Å; H389-W396 AromaticContact CE1-CD2 2.48Å; H389-W396 AromaticContact CE1-CE2 2.77Å; H389-W396 AromaticContact CE1-CE3 2.93Å; H389-W396 AromaticContact CE1-CG 2.81Å; H389-W396 AromaticContact CE1-CH2 3.77Å; H389-W396 AromaticContact CE1-CZ2 3.43Å; H389-W396 VanDerWaalsContact CE1-CZ2 3.43Å; H389-W396 WeakPolarHBondContact CE1-CZ2 3Å; H389-W396 AromaticContact CE1-CZ3 3.55Å; H389-W396 AromaticContact CE1-NE1 3.13Å; H389-W396 PolarHBondContact CE1-NE1 3.45Å; H389-W396 AromaticContact ND1-CE3 3.91Å |
| 390 | S | 93.1 | Very high | 90.3 | Very high | 71 Ų | 71 | 92.5 Ų | 92.5 | 50% | 0.497 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -68 | -27.2 | 175.4 | 57.5 | 0 | 0 | 0 | 0 | 114.2 | R386 Q387 L388 | R386-S390 PolarHBondContact O-N 3.22Å; R386-S390 PolarHBondContact O-OG 3.22Å; Q387-S390 WeakPolarHBondContact CA-OG 3.46Å; Q387-S390 PolarHBondContact O-N 2.94Å; Q387-S390 VanDerWaalsContact O-N 3.13Å; Q387-S390 PolarHBondContact O-OG 2.87Å; L388-S390 PolarHBondContact O-N 3.11Å |
| 391 | Q | 93.2 | Very high | 89.1 | Confident | 144 Ų | 144 | 90.6 Ų | 90.6 | 67% | 0.673 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -77 | -41.4 | 174.9 | -70 | 165.5 | 1.2 | 0 | 0 | 112 | Q387 L388 H389 | Q387-Q391 WeakPolarHBondContact O-CG 3.4Å; Q387-Q391 PolarHBondContact O-N 2.86Å; L388-Q391 PolarHBondContact O-N 2.55Å; H389-Q391 VanDerWaalsContact C-N 3.32Å; H389-Q391 PolarHBondContact O-N 3.22Å |
| 392 | L | 92.1 | Very high | 87.6 | Confident | 106 Ų | 106 | 92 Ų | 92 | 56% | 0.555 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -74.1 | -28 | 177.6 | -68.6 | 174.8 | 0 | 0 | 0 | 112.9 | L388 H389 P394 | L388-L392 HydrophobicContact CD1-CD1 3.93Å; L388-L392 HydrophobicContact CD1-CG 4.04Å; L388-L392 HydrophobicContact CG-CD1 3.84Å; L388-L392 HydrophobicContact CG-CG 4.34Å; L388-L392 WeakPolarHBondContact O-CB 3.18Å; L388-L392 VanDerWaalsContact O-CG 3.31Å; L388-L392 WeakPolarHBondContact O-CG 3.13Å; L388-L392 PolarHBondContact O-N 3.3Å; H389-L392 PolarHBondContact O-N 3.12Å; L392-P394 VanDerWaalsContact C-CD 3.49Å |
| 393 | Y | 88.4 | Confident | 86 | Confident | 95 Ų | 95 | 95 Ų | 95 | 37% | 0.373 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -130.5 | 64.1 | -176.4 | -52.5 | -62 | 0 | 0 | 0 | 111.9 | I329 H389 G395 W396 | I329-Y393 HydrophobicContact CD1-CD1 3.45Å; I329-Y393 VanDerWaalsContact CD1-CD1 3.45Å; I329-Y393 HydrophobicContact CD1-CE1 3.89Å; I329-Y393 HydrophobicContact CD1-CG 3.9Å; I329-Y393 HydrophobicContact CG1-CD1 3.85Å; I329-Y393 HydrophobicContact CG1-CE1 3.82Å; I329-Y393 HydrophobicContact CG1-CG 4.23Å; I329-Y393 HydrophobicContact CG2-CD1 4.25Å; I329-Y393 HydrophobicContact CG2-CD2 3.5Å; I329-Y393 VanDerWaalsContact CG2-CD2 3.5Å; I329-Y393 HydrophobicContact CG2-CE1 4.44Å; I329-Y393 HydrophobicContact CG2-CE2 3.71Å; I329-Y393 HydrophobicContact CG2-CG 3.78Å; H389-Y393 AromaticContact CD2-CD2 3.92Å; H389-Y393 AromaticContact CE1-CD2 3.98Å; H389-Y393 AromaticContact ND1-CD2 3.95Å; H389-Y393 WeakPolarHBondContact O-CB 3.27Å; H389-Y393 WeakPolarHBondContact O-CD2 3Å; H389-Y393 PolarHBondContact O-N 2.96Å; Y393-G395 PolarHBondContact O-N 3.34Å; Y393-W396 VanDerWaalsContact O-CB 3.28Å; Y393-W396 WeakPolarHBondContact O-CB 3.5Å; Y393-W396 PolarHBondContact O-N 3.01Å |
| 394 | P | 89.4 | Confident | 84.3 | Confident | 108 Ų | 108 | 94.9 Ų | 94.9 | 70% | 0.701 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 133.5 | 175.2 | 25.7 | -34.5 | 0 | 0 | 0 | 110.3 | L392 W396 | L392-P394 VanDerWaalsContact C-CD 3.49Å; P394-W396 VanDerWaalsContact C-N 3.32Å; P394-W396 PolarHBondContact O-N 2.93Å |
| 395 | G | 83.9 | Confident | 82.4 | Confident | 82 Ų | 82 | 97.6 Ų | 97.6 | 85% | 0.845 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | 1 | -176 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y393 S397 | Y393-G395 PolarHBondContact O-N 3.34Å; G395-S397 PolarHBondContact O-N 3.34Å |
| 396 | W | 88.4 | Confident | 80.7 | Confident | 62 Ų | 62 | 103.8 Ų | 103.8 | 24% | 0.235 | 53% | 0.526 | C | S | . | . | | | trans | -66.2 | 130.4 | 171.7 | 174.9 | 94.7 | 0 | 0 | 0 | 111.5 | I329 K331 H389 Y393 P394 A398 N401 | I329-W396 VanDerWaalsContact CG2-CD1 3.43Å; I329-W396 HydrophobicContact CG2-CG 4.15Å; I329-W396 PolarHBondContact O-NE1 2.96Å; K331-W396 HydrophobicContact CB-CH2 4.2Å; K331-W396 HydrophobicContact CB-CZ2 4.38Å; K331-W396 HydrophobicContact CG-CH2 3.86Å; K331-W396 HydrophobicContact CG-CZ2 3.93Å; H389-W396 AromaticContact CE1-CD1 3.19Å; H389-W396 AromaticContact CE1-CD2 2.48Å; H389-W396 AromaticContact CE1-CE2 2.77Å; H389-W396 AromaticContact CE1-CE3 2.93Å; H389-W396 AromaticContact CE1-CG 2.81Å; H389-W396 AromaticContact CE1-CH2 3.77Å; H389-W396 AromaticContact CE1-CZ2 3.43Å; H389-W396 VanDerWaalsContact CE1-CZ2 3.43Å; H389-W396 WeakPolarHBondContact CE1-CZ2 3Å; H389-W396 AromaticContact CE1-CZ3 3.55Å; H389-W396 AromaticContact CE1-NE1 3.13Å; H389-W396 PolarHBondContact CE1-NE1 3.45Å; H389-W396 AromaticContact ND1-CE3 3.91Å; Y393-W396 VanDerWaalsContact O-CB 3.28Å; Y393-W396 WeakPolarHBondContact O-CB 3.5Å; Y393-W396 PolarHBondContact O-N 3.01Å; P394-W396 VanDerWaalsContact C-N 3.32Å; P394-W396 PolarHBondContact O-N 2.93Å; W396-A398 HydrophobicContact CH2-CB 3.81Å; W396-A398 HydrophobicContact CZ2-CB 4.49Å; W396-A398 HydrophobicContact CZ3-CB 4.11Å; W396-N401 PolarHBondContact NE1-ND2 3.35Å; W396-N401 VanDerWaalsContact NE1-ND2 3.16Å |
| 397 | S | 84.1 | Confident | 79 | Confident | 48 Ų | 48 | 105.2 Ų | 105.2 | 34% | 0.336 | 54% | 0.536 | S | S | . | . | | | trans | -115.4 | 139.4 | 169 | -169.8 | 0 | 0 | 0 | 0 | 113.1 | G395 R399 D400 | G395-S397 PolarHBondContact O-N 3.34Å; S397-R399 PolarHBondContact O-N 3.02Å; S397-R399 VanDerWaalsContact O-N 3.12Å; S397-R399 WeakPolarHBondContact OG-CB 3.37Å; S397-R399 PolarHBondContact OG-N 2.91Å; S397-D400 VanDerWaalsContact CB-OD2 3.27Å; S397-D400 WeakPolarHBondContact CB-OD2 3.4Å; S397-D400 PolarHBondContact N-OD2 3.2Å; S397-D400 PolarHBondContact O-N 2.9Å |
| 398 | A | 81.5 | Confident | 77.4 | Confident | 41 Ų | 41 | 111 Ų | 111 | 34% | 0.339 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.9 | -15.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | W396 Y402 | W396-A398 HydrophobicContact CH2-CB 3.81Å; W396-A398 HydrophobicContact CZ2-CB 4.49Å; W396-A398 HydrophobicContact CZ3-CB 4.11Å; A398-Y402 WeakPolarHBondContact O-CD2 3.48Å |
| 399 | R | 74.8 | Confident | 75.1 | Confident | 203 Ų | 203 | 116.2 Ų | 116.2 | 77% | 0.766 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -42.5 | 179.9 | -169.7 | 173 | -177.1 | 159.6 | -1.9 | 112.2 | S397 N401 Y402 G403 | S397-R399 PolarHBondContact O-N 3.02Å; S397-R399 VanDerWaalsContact O-N 3.12Å; S397-R399 WeakPolarHBondContact OG-CB 3.37Å; S397-R399 PolarHBondContact OG-N 2.91Å; R399-N401 VanDerWaalsContact C-N 3.34Å; R399-N401 PolarHBondContact O-N 2.99Å; R399-Y402 PolarHBondContact O-N 3.22Å; R399-G403 PolarHBondContact O-N 3.11Å |
| 400 | D | 75.2 | Confident | 72.9 | Confident | 103 Ų | 103 | 125.7 Ų | 125.7 | 55% | 0.551 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -63.9 | -43.3 | -170.6 | -43.1 | -29.6 | 0 | 0 | 0 | 110.8 | S397 Y402 | S397-D400 VanDerWaalsContact CB-OD2 3.27Å; S397-D400 WeakPolarHBondContact CB-OD2 3.4Å; S397-D400 PolarHBondContact N-OD2 3.2Å; S397-D400 PolarHBondContact O-N 2.9Å; D400-Y402 PolarHBondContact O-N 3.41Å; D400-Y402 VanDerWaalsContact O-N 3.12Å |
| 401 | N | 71.3 | Confident | 70.2 | Confident | 52 Ų | 52 | 129.4 Ų | 129.4 | 28% | 0.278 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -61.4 | -15 | 173.7 | -84.3 | -57.6 | 0 | 0 | 0 | 115 | H328 I329 W396 R399 | H328-N401 PolarHBondContact CE1-OD1 3.23Å; H328-N401 PolarHBondContact ND1-OD1 2.86Å; I329-N401 PolarHBondContact O-ND2 3.35Å; W396-N401 PolarHBondContact NE1-ND2 3.35Å; W396-N401 VanDerWaalsContact NE1-ND2 3.16Å; R399-N401 VanDerWaalsContact C-N 3.34Å; R399-N401 PolarHBondContact O-N 2.99Å |
| 402 | Y | 64.8 | Low | 67.7 | Low | 109 Ų | 109 | 128.2 Ų | 128.2 | 43% | 0.427 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -121.9 | -20 | -172.2 | -75.7 | -105.5 | 0 | 0 | 0 | 113.8 | K331 A398 R399 D400 K404 R405 | K331-Y402 HydrophobicContact CD-CE2 4.01Å; K331-Y402 HydrophobicContact CG-CE2 4.46Å; K331-Y402 VanDerWaalsContact NZ-CE2 3.27Å; K331-Y402 VanDerWaalsContact NZ-CZ 3.27Å; K331-Y402 PolarHBondContact NZ-OH 3Å; A398-Y402 WeakPolarHBondContact O-CD2 3.48Å; R399-Y402 PolarHBondContact O-N 3.22Å; D400-Y402 PolarHBondContact O-N 3.41Å; D400-Y402 VanDerWaalsContact O-N 3.12Å; Y402-K404 VanDerWaalsContact C-N 3.27Å; Y402-K404 PolarHBondContact O-N 2.75Å; Y402-R405 PolarHBondContact O-N 2.74Å |
| 403 | G | 62.1 | Low | 65 | Low | 66 Ų | 66 | 130.3 Ų | 130.3 | 68% | 0.68 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -61.4 | -27 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | R399 R405 | R399-G403 PolarHBondContact O-N 3.11Å; G403-R405 VanDerWaalsContact C-N 3.27Å; G403-R405 PolarHBondContact O-N 3.04Å |
| 404 | K | 61.8 | Low | 62.8 | Low | 150 Ų | 150 | 130.9 Ų | 130.9 | 65% | 0.652 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -5.2 | -178.1 | -61.8 | -173.8 | -177.7 | -175.4 | 0 | 114.6 | D324 Y402 K406 | D324-K404 VanDerWaalsContact CG-NZ 3.34Å; D324-K404 IonicContact OD1-NZ 3.94Å; D324-K404 PolarHBondContact OD1-NZ 2.91Å; D324-K404 IonicContact OD2-NZ 2.59Å; D324-K404 PolarHBondContact OD2-NZ 2.66Å; Y402-K404 VanDerWaalsContact C-N 3.27Å; Y402-K404 PolarHBondContact O-N 2.75Å; K404-K406 PolarHBondContact O-N 3.06Å |
| 405 | R | 56 | Low | 60.1 | Low | 177 Ų | 177 | 132.4 Ų | 132.4 | 67% | 0.668 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -88.3 | 105.5 | -177.7 | -61.7 | -152.9 | -56.2 | -173.1 | 1.1 | 113.1 | Y402 G403 K407 | Y402-R405 PolarHBondContact O-N 2.74Å; G403-R405 VanDerWaalsContact C-N 3.27Å; G403-R405 PolarHBondContact O-N 3.04Å; R405-K407 PolarHBondContact O-N 3.31Å |
| 406 | K | 59.1 | Low | 57.8 | Low | 201 Ų | 201 | 132.8 Ų | 132.8 | 87% | 0.874 | 63% | 0.628 | S | S | * | * | | | trans | -37.8 | 117.1 | 169.6 | -177.6 | 175.6 | -178.5 | 175.9 | 0 | 111.4 | K404 R408 | K404-K406 PolarHBondContact O-N 3.06Å; K406-R408 PolarHBondContact O-N 3.29Å |
| 407 | K | 57.9 | Low | 55.3 | Low | 189 Ų | 189 | 138.9 Ų | 138.9 | 82% | 0.822 | 66% | 0.656 | S | S | * | * | | | trans | -51.9 | 114.7 | 178 | -179.6 | 176.8 | -179.9 | 177.5 | 0 | 108.9 | R405 K409 | R405-K407 PolarHBondContact O-N 3.31Å; K407-K409 PolarHBondContact O-N 2.9Å |
| 408 | R | 60.1 | Low | 53.3 | Low | 220 Ų | 220 | 141 Ų | 141 | 83% | 0.83 | 67% | 0.668 | S | S | * | * | | | trans | -58.5 | 107.5 | 168.4 | -60.9 | 174.8 | -175 | 162.9 | -3.9 | 106.2 | K406 R410 | K406-R408 PolarHBondContact O-N 3.29Å; R408-R410 VanDerWaalsContact C-N 3.33Å; R408-R410 PolarHBondContact O-N 3.24Å |
| 409 | K | 47.1 | Very low | 50.9 | Low | 192 Ų | 192 | 147 Ų | 147 | 84% | 0.835 | 69% | 0.69 | S | S | * | * | | | trans | -70 | 98.2 | 173.1 | -174.2 | 170.8 | 179.7 | -179.2 | 0 | 106.1 | K407 E411 | K407-K409 PolarHBondContact O-N 2.9Å; K409-E411 PolarHBondContact O-N 2.69Å |
| 410 | R | 47.2 | Very low | 48.8 | Very low | 220 Ų | 220 | 143.7 Ų | 143.7 | 83% | 0.83 | 69% | 0.687 | S | S | * | * | | | trans | -61.3 | 107.1 | 162.7 | -171.9 | -177.2 | -166 | -176.5 | 3.4 | 105.1 | R408 N412 | R408-R410 VanDerWaalsContact C-N 3.33Å; R408-R410 PolarHBondContact O-N 3.24Å; R410-N412 PolarHBondContact O-N 3.24Å |
| 411 | E | 36.9 | Very low | 46.6 | Very low | 149 Ų | 149 | 148.6 Ų | 148.6 | 70% | 0.696 | 70% | 0.704 | S | S | * | * | | | trans | -72.7 | 86 | 170.9 | -169.7 | 178.4 | 153.5 | 0 | 0 | 107.2 | K409 K413 | K409-E411 PolarHBondContact O-N 2.69Å; E411-K413 PolarHBondContact O-N 3.47Å |
| 412 | N | 40.5 | Very low | 44.7 | Very low | 119 Ų | 119 | 151 Ų | 151 | 64% | 0.636 | 73% | 0.725 | S | S | * | * | | | trans | -61.6 | 117.8 | 145.8 | -74.9 | 24 | 0 | 0 | 0 | 105 | R410 P414 | R410-N412 PolarHBondContact O-N 3.24Å; N412-P414 VanDerWaalsContact O-CD 3.28Å; N412-P414 WeakPolarHBondContact O-CD 3.26Å |
| 413 | K | 35.2 | Very low | 43.2 | Very low | 150 Ų | 150 | 152.7 Ų | 152.7 | 65% | 0.652 | 74% | 0.74 | S | S | * | * | | | trans | -73.2 | 120.6 | 156.5 | -81.3 | -174.3 | 159.2 | -154.5 | 0 | 107.9 | E411 D415 | E411-K413 PolarHBondContact O-N 3.47Å; K413-D415 IonicContact NZ-OD2 2.69Å |
| 414 | P | 41.7 | Very low | 41.7 | Very low | 107 Ų | 107 | 161 Ų | 161 | 70% | 0.695 | 75% | 0.75 | S | S | * | * | | | trans | -92.8 | 88.6 | 154.8 | 34 | -22.2 | 0 | 0 | 0 | 107.1 | N412 S416 | N412-P414 VanDerWaalsContact O-CD 3.28Å; N412-P414 WeakPolarHBondContact O-CD 3.26Å; P414-S416 PolarHBondContact O-N 3.13Å; P414-S416 VanDerWaalsContact O-N 3.16Å; P414-S416 PolarHBondContact O-OG 3.12Å |
| 415 | D | 32.8 | Very low | 40.3 | Very low | 141 Ų | 141 | 158.2 Ų | 158.2 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | | | trans | -64 | 117.3 | 159.2 | -86.8 | -62.7 | 0 | 0 | 0 | 106.4 | K413 | K413-D415 IonicContact NZ-OD2 2.69Š|
| 416 | S | 35.5 | Very low | 39.3 | Very low | 90 Ų | 90 | 159 Ų | 159 | 63% | 0.629 | 76% | 0.758 | S | S | * | * | | | trans | -120.2 | 147 | -172.1 | 40.6 | 0 | 0 | 0 | 0 | 108.1 | P414 | P414-S416 PolarHBondContact O-N 3.13Å; P414-S416 VanDerWaalsContact O-N 3.16Å; P414-S416 PolarHBondContact O-OG 3.12Å |
| 417 | K | 35.7 | Very low | 38.2 | Very low | 189 Ų | 189 | 159 Ų | 159 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | | | | 171.4 | 167.4 | 96.4 | -89.7 | 178.3 | -176.9 | -176.1 | 0 | 108.8 | | |
| 418 | P | 42.2 | Very low | 36.8 | Very low | 92 Ų | 92 | 158.4 Ų | 158.4 | 60% | 0.597 | 76% | 0.759 | S | S | * | * | | | cis | -142 | 172.2 | -31.6 | 39.6 | -23.2 | 0 | 0 | 0 | 114.4 | | |
| 419 | E | 30.7 | Very low | 35.3 | Very low | 168 Ų | 168 | 153.5 Ų | 153.5 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | | | trans | 58.9 | 152.6 | 165.2 | -39.6 | -39.1 | 141.8 | 0 | 0 | 118.3 | | |
| 420 | D | 30.9 | Very low | 34.6 | Very low | 133 Ų | 133 | 149.7 Ų | 149.7 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | | | cis | -141.5 | -169.7 | -0.9 | -153.6 | -23.6 | 0 | 0 | 0 | 110.2 | | |
| 421 | F | 29 | Very low | 33.8 | Very low | 207 Ų | 207 | 146.6 Ų | 146.6 | 91% | 0.908 | 74% | 0.744 | S | S | * | * | | | trans | 83.6 | 96 | -176.1 | -63.8 | -74.7 | 0 | 0 | 0 | 116.2 | | |
| 422 | S | 31.2 | Very low | 33.5 | Very low | 103 Ų | 103 | 149.9 Ų | 149.9 | 72% | 0.72 | 75% | 0.752 | S | S | * | * | | | trans | -116.8 | 172.9 | 165.2 | -175.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 423 | I | 33.2 | Very low | 33.2 | Very low | 144 Ų | 144 | 150.1 Ų | 150.1 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | | | trans | 75 | 131.2 | 174 | -47.3 | 174.2 | 0 | 0 | 0 | 111.9 | | |
| 424 | R | 30.9 | Very low | 32.9 | Very low | 239 Ų | 239 | 149.1 Ų | 149.1 | 90% | 0.902 | 76% | 0.761 | S | S | * | * | | | cis | -140.6 | -175.8 | 22.9 | -140.7 | 152.7 | -139.8 | -168.5 | 5.2 | 113.8 | | |
| 425 | S | 31.8 | Very low | 32.4 | Very low | 92 Ų | 92 | 149.1 Ų | 149.1 | 64% | 0.643 | 76% | 0.764 | S | S | * | * | | | trans | -118.8 | 163.5 | -165.8 | 58.8 | 0 | 0 | 0 | 0 | 115.3 | | |
| 426 | K | 36.7 | Very low | 32.2 | Very low | 194 Ų | 194 | 148.7 Ų | 148.7 | 84% | 0.843 | 76% | 0.757 | S | S | * | * | | | trans | 73.3 | 133.4 | 174.2 | -45.7 | 171.4 | -176.8 | 179.4 | 0 | 113.1 | | |
| 427 | K | 35.9 | Very low | 32 | Very low | 200 Ų | 200 | 151.6 Ų | 151.6 | 87% | 0.87 | 76% | 0.758 | S | S | * | * | | | | -165.7 | 159 | 59 | -77.3 | 175.3 | 178.5 | 176.7 | 0 | 113.5 | | |
| 428 | Q | 28 | Very low | 31.6 | Very low | 178 Ų | 178 | 150.3 Ų | 150.3 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | | | trans | -14.6 | 126.7 | 145.9 | 177.8 | -177.9 | 4.4 | 0 | 0 | 119.2 | V430 | Q428-V430 HydrophobicContact CG-CG2 4.47Š|
| 429 | C | 28.6 | Very low | 30.9 | Very low | 117 Ų | 117 | 151.5 Ų | 151.5 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | | | trans | -162.7 | 120 | 150.4 | -153.9 | 0 | 0 | 0 | 0 | 105.4 | | |
| 430 | V | 31.2 | Very low | 30.8 | Very low | 112 Ų | 112 | 150.9 Ų | 150.9 | 68% | 0.679 | 77% | 0.769 | S | S | * | * | | | | 72.3 | 110.7 | 53.5 | -174.9 | 0 | 0 | 0 | 0 | 113.5 | Q428 | Q428-V430 HydrophobicContact CG-CG2 4.47Š|
| 431 | Q | 31.6 | Very low | 31 | Very low | 155 Ų | 155 | 150 Ų | 150 | 72% | 0.724 | 77% | 0.773 | S | S | * | * | | | trans | 1.2 | 115.1 | 153.4 | -161.3 | 84 | 0.2 | 0 | 0 | 118.4 | | |
| 432 | Y | 29.4 | Very low | 31.9 | Very low | 217 Ų | 217 | 145.8 Ų | 145.8 | 85% | 0.851 | 77% | 0.767 | S | S | * | * | | | | -160.4 | 154.9 | 124 | -140 | -111.6 | 0 | 0 | 0 | 113.4 | | |
| 433 | L | 34.3 | Very low | 31.7 | Very low | 125 Ų | 125 | 145.6 Ų | 145.6 | 65% | 0.654 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 134.4 | 169.2 | -77.9 | 70.7 | 0 | 0 | 0 | 109.2 | S435 | L433-S435 PolarHBondContact O-N 3.37Š|
| 434 | P | 29.7 | Very low | 31.6 | Very low | 129 Ų | 129 | 144.4 Ų | 144.4 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 121.9 | 155.2 | -15.3 | 31.2 | 0 | 0 | 0 | 109.2 | E436 | P434-E436 PolarHBondContact O-N 3.11Š|
| 435 | S | 30.3 | Very low | 31.6 | Very low | 107 Ų | 107 | 138.5 Ų | 138.5 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 120.4 | 173.1 | -175 | 0 | 0 | 0 | 0 | 110.6 | L433 | L433-S435 PolarHBondContact O-N 3.37Š|
| 436 | E | 28.3 | Very low | 31.7 | Very low | 131 Ų | 131 | 142.9 Ų | 142.9 | 61% | 0.612 | 78% | 0.781 | S | S | * | * | | | | 17.3 | 111.8 | 124 | -62.2 | -99.6 | 71.4 | 0 | 0 | 116.7 | P434 | P434-E436 PolarHBondContact O-N 3.11Š|
| 437 | K | 31.3 | Very low | 31.5 | Very low | 151 Ų | 151 | 137.2 Ų | 137.2 | 66% | 0.657 | 78% | 0.777 | S | S | * | * | | | trans | 40 | 141.1 | 134.4 | 49.8 | 162.7 | -179.1 | -92 | 0 | 120.1 | | |
| 438 | M | 27.5 | Very low | 31.5 | Very low | 162 Ų | 162 | 132.7 Ų | 132.7 | 80% | 0.798 | 77% | 0.771 | S | S | * | * | | | cis | -167.1 | -175.5 | 13.4 | -151 | 114 | 74.9 | 0 | 0 | 112.2 | | |
| 439 | C | 28.9 | Very low | 31.9 | Very low | 118 Ų | 118 | 132.1 Ų | 132.1 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | | | trans | 83.8 | 114.7 | 153.3 | -64.6 | 0 | 0 | 0 | 0 | 120.3 | | |
| 440 | D | 27.2 | Very low | 32.3 | Very low | 154 Ų | 154 | 133.8 Ų | 133.8 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | | | trans | -90.3 | 154.3 | 162 | -76.9 | -84.5 | 0 | 0 | 0 | 112.6 | | |
| 441 | S | 35.6 | Very low | 32.3 | Very low | 114 Ų | 114 | 135.4 Ų | 135.4 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | | | trans | 69.7 | 164.7 | 154.6 | -71.1 | 0 | 0 | 0 | 0 | 117.4 | | |
| 442 | P | 49.3 | Very low | 32.4 | Very low | 120 Ų | 120 | 132.8 Ų | 132.8 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | | | cis | -137.9 | -168.7 | 17 | 43.7 | -25.4 | 0 | 0 | 0 | 117.6 | | |
| 443 | A | 26.9 | Very low | 33.7 | Very low | 98 Ų | 98 | 128.4 Ų | 128.4 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | | | trans | 90 | 142.4 | 154.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 444 | S | 30.8 | Very low | 33.6 | Very low | 120 Ų | 120 | 127 Ų | 127 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | | | cis | -162.5 | -178.4 | -6.7 | -161 | 0 | 0 | 0 | 0 | 111.8 | | |
| 445 | S | 31.3 | Very low | 33.9 | Very low | 114 Ų | 114 | 127 Ų | 127 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | | | trans | 94.4 | 140.2 | 160.3 | -163.4 | 0 | 0 | 0 | 0 | 118.1 | | |
| 446 | H | 32.9 | Very low | 34.8 | Very low | 185 Ų | 185 | 128.1 Ų | 128.1 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | | | cis | -168.4 | 140.7 | -28.8 | -175.7 | -97.1 | 0 | 0 | 0 | 108.3 | | |
| 447 | G | 33.1 | Very low | 35.1 | Very low | 74 Ų | 74 | 127.4 Ų | 127.4 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | | | trans | 165.5 | 117.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 448 | S | 36.4 | Very low | 35.2 | Very low | 106 Ų | 106 | 124.7 Ų | 124.7 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | | | trans | -118.6 | 146.8 | -171.1 | 175.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 449 | M | 34.8 | Very low | 35.4 | Very low | 166 Ų | 166 | 120.7 Ų | 120.7 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | -149.9 | 130.3 | 139.9 | -74.6 | -148.9 | -55.6 | 0 | 0 | 110.9 | | |
| 450 | L | 37.8 | Very low | 35.6 | Very low | 152 Ų | 152 | 123.2 Ų | 123.2 | 80% | 0.796 | 79% | 0.794 | S | S | * | * | | | trans | 34.5 | 140.7 | 134.2 | -40 | 179.2 | 0 | 0 | 0 | 119.1 | | |
| 451 | D | 30 | Very low | 35.8 | Very low | 146 Ų | 146 | 120.5 Ų | 120.5 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | | | cis | -156.6 | 179.1 | 17 | -172.4 | 34.1 | 0 | 0 | 0 | 111.5 | | |
| 452 | S | 35.7 | Very low | 35.5 | Very low | 100 Ų | 100 | 120.5 Ų | 120.5 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | | | trans | -160.6 | 150.3 | 175.6 | -78.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 453 | P | 55.9 | Low | 35.8 | Very low | 125 Ų | 125 | 120.6 Ų | 120.6 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | | | cis | -152.8 | -170.6 | 47.7 | 43.5 | -23.1 | 0 | 0 | 0 | 116.2 | | |
| 454 | A | 31.3 | Very low | 35.9 | Very low | 96 Ų | 96 | 120.9 Ų | 120.9 | 79% | 0.793 | 80% | 0.795 | S | S | * | * | | | | 168.8 | 146.3 | 120.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 455 | T | 35.8 | Very low | 36 | Very low | 127 Ų | 127 | 119.6 Ų | 119.6 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | | | trans | -94.5 | 177.3 | 169.4 | 54.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 456 | P | 49.8 | Very low | 36.6 | Very low | 131 Ų | 131 | 120.4 Ų | 120.4 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | | | | -131.2 | 176.3 | 96.1 | 37.7 | -29.6 | 0 | 0 | 0 | 114.5 | | |
| 457 | S | 34.1 | Very low | 36.6 | Very low | 117 Ų | 117 | 115.9 Ų | 115.9 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | -137.9 | -166.8 | -175.9 | -173.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 458 | A | 34.2 | Very low | 37.4 | Very low | 93 Ų | 93 | 118 Ų | 118 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | | | trans | 76.5 | 156.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 459 | A | 31.5 | Very low | 37.1 | Very low | 79 Ų | 79 | 119.3 Ų | 119.3 | 65% | 0.653 | 79% | 0.793 | S | S | * | * | | | cis | -155.9 | 135 | -5.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 460 | L | 34.4 | Very low | 36.9 | Very low | 171 Ų | 171 | 119.1 Ų | 119.1 | 90% | 0.895 | 79% | 0.79 | S | S | * | * | | | | 88.6 | 145.7 | 87.5 | -71 | 178.1 | 0 | 0 | 0 | 117.1 | | |
| 461 | A | 30.6 | Very low | 36.7 | Very low | 97 Ų | 97 | 115.9 Ų | 115.9 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | | | trans | 80.5 | 113.4 | 152 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 462 | S | 29.1 | Very low | 36.8 | Very low | 114 Ų | 114 | 115.2 Ų | 115.2 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | | | trans | -73.3 | -177.3 | 145.1 | -39.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 463 | P | 55.5 | Low | 36.7 | Very low | 122 Ų | 122 | 118.5 Ų | 118.5 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | | | cis | -151.5 | -163.7 | 23.2 | 45.2 | -22.6 | 0 | 0 | 0 | 118.1 | | |
| 464 | A | 28.8 | Very low | 35.7 | Very low | 103 Ų | 103 | 116.5 Ų | 116.5 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | | | trans | 85.4 | 157.3 | 151.3 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 465 | A | 32.3 | Very low | 35.8 | Very low | 93 Ų | 93 | 119.1 Ų | 119.1 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | | | trans | -135.2 | 166.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 466 | P | 45.6 | Very low | 36.7 | Very low | 132 Ų | 132 | 118.3 Ų | 118.3 | 86% | 0.857 | 76% | 0.764 | S | S | * | * | | | trans | -145.6 | 177.1 | 130.2 | 37.6 | -21.9 | 0 | 0 | 0 | 115.3 | | |
| 467 | A | 31.6 | Very low | 36.3 | Very low | 90 Ų | 90 | 118.8 Ų | 118.8 | 74% | 0.744 | 76% | 0.758 | S | S | * | * | | | trans | -114.9 | -159.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 468 | P | 50.7 | Low | 36.3 | Very low | 117 Ų | 117 | 117.6 Ų | 117.6 | 76% | 0.76 | 75% | 0.75 | S | S | * | * | | | cis | -137.7 | -177.8 | -13.4 | 43.5 | -26.9 | 0 | 0 | 0 | 115.2 | | |
| 469 | T | 29.6 | Very low | 36.1 | Very low | 135 Ų | 135 | 120.7 Ų | 120.7 | 83% | 0.828 | 75% | 0.753 | S | S | * | * | | | trans | 179.7 | 126.3 | 145.4 | 40.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 470 | H | 31.6 | Very low | 36.1 | Very low | 162 Ų | 162 | 123 Ų | 123 | 75% | 0.75 | 76% | 0.759 | S | S | * | * | | | | 61.1 | 130.9 | 91.9 | -136 | -88.8 | 0 | 0 | 0 | 114.3 | E472 | H470-E472 IonicContact CE1-OE2 2.74Š|
| 471 | S | 32.5 | Very low | 36.2 | Very low | 84 Ų | 84 | 120.9 Ų | 120.9 | 59% | 0.587 | 75% | 0.753 | S | S | * | * | | | cis | -132.7 | 148.6 | 28 | -106.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 472 | E | 32.3 | Very low | 36.3 | Very low | 132 Ų | 132 | 124 Ų | 124 | 62% | 0.617 | 75% | 0.749 | S | S | * | * | | | | 72.2 | 139.2 | 69.4 | -164.1 | -162.8 | 163.9 | 0 | 0 | 113 | H470 | H470-E472 IonicContact CE1-OE2 2.74Š|
| 473 | Q | 33.7 | Very low | 37.4 | Very low | 169 Ų | 169 | 124.1 Ų | 124.1 | 79% | 0.79 | 75% | 0.747 | S | S | * | * | | | cis | -121.5 | -143.2 | 4.9 | -135.9 | 174.6 | 85.5 | 0 | 0 | 109.8 | | |
| 474 | A | 34.5 | Very low | 36.1 | Very low | 83 Ų | 83 | 125.6 Ų | 125.6 | 69% | 0.686 | 74% | 0.743 | S | S | * | * | | | cis | -150.1 | -178.9 | 5.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 475 | Q | 33.9 | Very low | 36.2 | Very low | 150 Ų | 150 | 124 Ų | 124 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | | | trans | -157 | 160.5 | -176.7 | -102.7 | -89 | -20.3 | 0 | 0 | 109.3 | | |
| 476 | P | 55.3 | Low | 36.2 | Very low | 111 Ų | 111 | 130 Ų | 130 | 72% | 0.721 | 74% | 0.74 | S | S | * | * | | | | -152.5 | 143.4 | 78.6 | 38.3 | -17.3 | 0 | 0 | 0 | 119.3 | | |
| 477 | L | 39.8 | Very low | 35.4 | Very low | 140 Ų | 140 | 129.6 Ų | 129.6 | 73% | 0.733 | 73% | 0.728 | S | S | * | * | | | | 40.1 | 143.4 | 119.2 | -48.3 | 178.7 | 0 | 0 | 0 | 119.8 | | |
| 478 | S | 34.8 | Very low | 35.4 | Very low | 92 Ų | 92 | 132.1 Ų | 132.1 | 64% | 0.643 | 72% | 0.724 | S | S | * | * | | | cis | -166.9 | 169.1 | -2.3 | -98.2 | 0 | 0 | 0 | 0 | 107.8 | | |
| 479 | L | 30.8 | Very low | 34.4 | Very low | 158 Ų | 158 | 134.3 Ų | 134.3 | 83% | 0.827 | 72% | 0.724 | S | S | * | * | | | | 176 | 144.2 | 81.2 | -83.2 | 168.2 | 0 | 0 | 0 | 111.3 | | |
| 480 | T | 31.3 | Very low | 34.4 | Very low | 127 Ų | 127 | 134.8 Ų | 134.8 | 78% | 0.779 | 72% | 0.716 | S | S | * | * | | | trans | 47 | 137.2 | 141.7 | -143.8 | 0 | 0 | 0 | 0 | 121 | | |
| 481 | T | 35.5 | Very low | 34.3 | Very low | 127 Ų | 127 | 135.6 Ų | 135.6 | 78% | 0.779 | 72% | 0.718 | S | S | * | * | | | cis | -135.6 | 172.1 | 24.5 | 50.8 | 0 | 0 | 0 | 0 | 114.7 | | |
| 482 | K | 32.4 | Very low | 34.1 | Very low | 164 Ų | 164 | 136.6 Ų | 136.6 | 71% | 0.713 | 73% | 0.725 | S | S | * | * | | | trans | -139.2 | -163 | 164.6 | -123.5 | -159.6 | 177.7 | -155.6 | 0 | 106.4 | E484 | K482-E484 IonicContact NZ-OE2 3.57Å; K482-E484 PolarHBondContact NZ-OE2 2.66Å |
| 483 | P | 52.8 | Low | 34.3 | Very low | 116 Ų | 116 | 136.1 Ų | 136.1 | 75% | 0.753 | 73% | 0.731 | S | S | * | * | | | cis | -120.4 | -162 | -15.1 | 8.8 | 20.1 | 0 | 0 | 0 | 110.6 | | |
| 484 | E | 27.8 | Very low | 35 | Very low | 152 Ų | 152 | 134.1 Ų | 134.1 | 71% | 0.71 | 73% | 0.733 | S | S | * | * | | | cis | 162 | 138.7 | -20.1 | -175.8 | 86 | -130.3 | 0 | 0 | 108 | K482 | K482-E484 IonicContact NZ-OE2 3.57Å; K482-E484 PolarHBondContact NZ-OE2 2.66Å |
| 485 | G | 31.4 | Very low | 34.8 | Very low | 71 Ų | 71 | 133.4 Ų | 133.4 | 73% | 0.732 | 73% | 0.733 | S | S | * | * | | | trans | 81.2 | 175.4 | 158.8 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 486 | R | 32.5 | Very low | 34.7 | Very low | 217 Ų | 217 | 136.5 Ų | 136.5 | 82% | 0.819 | 74% | 0.744 | S | S | * | * | | | cis | -170.7 | 114.2 | -21.4 | -177.9 | -178.3 | 173.8 | 169.6 | -0.2 | 114.1 | | |
| 487 | M | 29.3 | Very low | 33.5 | Very low | 125 Ų | 125 | 135.6 Ų | 135.6 | 62% | 0.616 | 75% | 0.746 | S | S | * | * | | | trans | 51.7 | 150.7 | 149.3 | -50.2 | -156.2 | -65.8 | 0 | 0 | 126 | | |
| 488 | H | 30.3 | Very low | 33.1 | Very low | 142 Ų | 142 | 134.9 Ų | 134.9 | 66% | 0.657 | 75% | 0.752 | S | S | * | * | | | trans | 83 | 113 | 148.4 | -59.7 | -52.4 | 0 | 0 | 0 | 125.6 | | |
| 489 | H | 30.6 | Very low | 32.8 | Very low | 163 Ų | 163 | 133.5 Ų | 133.5 | 76% | 0.755 | 75% | 0.753 | S | S | * | * | | | | 54.9 | 148.1 | 128.4 | -59.8 | -63.8 | 0 | 0 | 0 | 127.9 | | |
| 490 | H | 29.8 | Very low | 32.9 | Very low | 146 Ų | 146 | 131.8 Ų | 131.8 | 68% | 0.676 | 76% | 0.755 | S | S | * | * | | | trans | 78.9 | 145.6 | 150.9 | -108.8 | -112.1 | 0 | 0 | 0 | 118.3 | | |
| 491 | F | 29.4 | Very low | 32.9 | Very low | 179 Ų | 179 | 129.7 Ų | 129.7 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | | | cis | -108 | -161 | 11 | -93.5 | -99.3 | 0 | 0 | 0 | 112.6 | | |
| 492 | S | 28.7 | Very low | 32.6 | Very low | 104 Ų | 104 | 128.8 Ų | 128.8 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | | | cis | -156.3 | -172.2 | 14.6 | -153.2 | 0 | 0 | 0 | 0 | 115.2 | | |
| 493 | V | 35.2 | Very low | 32.6 | Very low | 123 Ų | 123 | 125.7 Ų | 125.7 | 75% | 0.745 | 75% | 0.748 | S | S | * | * | | | trans | -150 | 163 | -167.8 | 159.8 | 0 | 0 | 0 | 0 | 107.8 | | |
| 494 | P | 49.9 | Very low | 31.6 | Very low | 127 Ų | 127 | 124.7 Ų | 124.7 | 83% | 0.825 | 74% | 0.744 | S | S | * | * | | | cis | -124.9 | -176.7 | 11.1 | 22.7 | 3 | 0 | 0 | 0 | 115.5 | | |
| 495 | G | 28.8 | Very low | 31.7 | Very low | 67 Ų | 67 | 122.7 Ų | 122.7 | 69% | 0.691 | 75% | 0.746 | S | S | * | * | | | cis | 151 | 161.8 | -10 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 496 | K | 33.4 | Very low | 31.6 | Very low | 215 Ų | 215 | 124 Ų | 124 | 94% | 0.935 | 75% | 0.745 | S | S | * | * | | | trans | 70.3 | 144.2 | 175.2 | -76.7 | 163.7 | 62.1 | 178.2 | 0 | 116.7 | | |
| 497 | A | 29.8 | Very low | 31.5 | Very low | 92 Ų | 92 | 118.1 Ų | 118.1 | 76% | 0.76 | 74% | 0.736 | S | S | * | * | | | cis | -152.7 | 176 | -2.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 498 | S | 30.6 | Very low | 31.6 | Very low | 125 Ų | 125 | 117.2 Ų | 117.2 | 87% | 0.874 | 74% | 0.742 | S | S | * | * | | | trans | -55.8 | 167.6 | 178.4 | -38.7 | 0 | 0 | 0 | 0 | 116 | | |
| 499 | G | 29.5 | Very low | 31.7 | Very low | 64 Ų | 64 | 115.5 Ų | 115.5 | 66% | 0.66 | 75% | 0.746 | S | S | * | * | | | cis | 161.7 | -170.8 | -0.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 500 | S | 32.6 | Very low | 31.8 | Very low | 122 Ų | 122 | 113 Ų | 113 | 85% | 0.853 | 75% | 0.747 | S | S | * | * | | | trans | 19.3 | 144.2 | 153.1 | 56.2 | 0 | 0 | 0 | 0 | 121.9 | | |
| 501 | A | 30.3 | Very low | 32 | Very low | 82 Ų | 82 | 110.7 Ų | 110.7 | 68% | 0.678 | 75% | 0.747 | S | S | * | * | | | cis | -176.5 | -174.6 | -5.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 502 | S | 30 | Very low | 32.1 | Very low | 109 Ų | 109 | 107.1 Ų | 107.1 | 76% | 0.762 | 75% | 0.745 | S | S | * | * | | | trans | 39.2 | 144.7 | 144.3 | 57.2 | 0 | 0 | 0 | 0 | 122.5 | | |
| 503 | S | 32 | Very low | 32.3 | Very low | 99 Ų | 99 | 106.8 Ų | 106.8 | 69% | 0.692 | 74% | 0.743 | S | S | * | * | | | cis | -179.7 | 174.3 | -5.6 | 52.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 504 | S | 30.9 | Very low | 32.1 | Very low | 95 Ų | 95 | 106.1 Ų | 106.1 | 66% | 0.664 | 74% | 0.743 | S | S | * | * | | | trans | 64.1 | 143.3 | 143.2 | 55.1 | 0 | 0 | 0 | 0 | 123.2 | | |
| 505 | S | 29.9 | Very low | 31.3 | Very low | 109 Ų | 109 | 105.1 Ų | 105.1 | 76% | 0.762 | 74% | 0.739 | S | S | * | * | | | trans | 66.5 | 148.6 | 153.5 | 43.4 | 0 | 0 | 0 | 0 | 119.8 | | |
| 506 | S | 30.1 | Very low | 31.5 | Very low | 100 Ų | 100 | 106.7 Ų | 106.7 | 70% | 0.699 | 74% | 0.739 | S | S | * | * | | | cis | -168.8 | 170.3 | -16.9 | 53.9 | 0 | 0 | 0 | 0 | 113.4 | | |
| 507 | S | 31.1 | Very low | 31.5 | Very low | 92 Ų | 92 | 101.7 Ų | 101.7 | 64% | 0.643 | 73% | 0.732 | S | S | * | * | | | trans | 75.4 | 108.8 | 135.3 | 59.5 | 0 | 0 | 0 | 0 | 124.1 | | |
| 508 | S | 31.1 | Very low | 31.7 | Very low | 106 Ų | 106 | 102.6 Ų | 102.6 | 74% | 0.741 | 73% | 0.733 | S | S | * | * | | | | 84 | 170.4 | 117.8 | 77 | 0 | 0 | 0 | 0 | 122.2 | | |
| 509 | S | 32.6 | Very low | 31.8 | Very low | 106 Ų | 106 | 105.3 Ų | 105.3 | 74% | 0.741 | 73% | 0.732 | S | S | * | * | | | trans | 70.7 | 116.4 | 179.8 | 60.8 | 0 | 0 | 0 | 0 | 115.7 | | |
| 510 | S | 32.7 | Very low | 32.8 | Very low | 110 Ų | 110 | 107.3 Ų | 107.3 | 77% | 0.769 | 73% | 0.733 | S | S | * | * | | | | 86.9 | 140.5 | 51.9 | 74.7 | 0 | 0 | 0 | 0 | 113 | | |
| 511 | S | 33.3 | Very low | 32.7 | Very low | 98 Ų | 98 | 106 Ų | 106 | 69% | 0.685 | 72% | 0.724 | S | S | * | * | | | cis | -171.7 | 178 | 2.9 | 43.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 512 | S | 32.2 | Very low | 32.9 | Very low | 105 Ų | 105 | 110.1 Ų | 110.1 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | | | trans | 66.8 | 150.8 | 150.4 | 38.7 | 0 | 0 | 0 | 0 | 119.2 | | |
| 513 | S | 31.8 | Very low | 32.8 | Very low | 97 Ų | 97 | 109.3 Ų | 109.3 | 68% | 0.678 | 73% | 0.733 | S | S | * | * | | | cis | -174.9 | 160.9 | -11 | 48.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 514 | S | 32 | Very low | 33.1 | Very low | 109 Ų | 109 | 112.1 Ų | 112.1 | 76% | 0.762 | 74% | 0.738 | S | S | * | * | | | trans | 61.8 | 163.3 | 149.9 | 53.5 | 0 | 0 | 0 | 0 | 118.8 | | |
| 515 | S | 32.9 | Very low | 33.9 | Very low | 105 Ų | 105 | 113.3 Ų | 113.3 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | | | cis | -179.5 | 160.1 | -13.5 | 47.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 516 | S | 33.9 | Very low | 34 | Very low | 100 Ų | 100 | 114.7 Ų | 114.7 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | | | cis | -178 | 166.9 | -16.8 | 53 | 0 | 0 | 0 | 0 | 109.5 | | |
| 517 | S | 33.3 | Very low | 34 | Very low | 111 Ų | 111 | 113.1 Ų | 113.1 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | | | trans | 64.7 | 159.1 | 170.7 | 57.3 | 0 | 0 | 0 | 0 | 116.3 | | |
| 518 | S | 32.9 | Very low | 34 | Very low | 111 Ų | 111 | 114.6 Ų | 114.6 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | | | cis | -153.5 | 168.5 | 29.8 | -57.5 | 0 | 0 | 0 | 0 | 115 | | |
| 519 | Q | 33.3 | Very low | 34 | Very low | 182 Ų | 182 | 117.9 Ų | 117.9 | 85% | 0.85 | 76% | 0.761 | S | S | * | * | | | trans | -107.1 | -174.4 | 161 | -94.4 | -154.6 | 14 | 0 | 0 | 109.3 | | |
| 520 | P | 49.8 | Very low | 33.9 | Very low | 106 Ų | 106 | 116 Ų | 116 | 69% | 0.688 | 76% | 0.758 | S | S | * | * | | | cis | -151.7 | -170.4 | 21.2 | 45.9 | -23.9 | 0 | 0 | 0 | 119.7 | | |
| 521 | S | 31.5 | Very low | 33.9 | Very low | 94 Ų | 94 | 116 Ų | 116 | 66% | 0.657 | 76% | 0.758 | S | S | * | * | | | trans | 88.5 | 107.9 | 140 | -68.6 | 0 | 0 | 0 | 0 | 125.5 | | |
| 522 | I | 33.1 | Very low | 33.9 | Very low | 168 Ų | 168 | 118.6 Ų | 118.6 | 86% | 0.862 | 76% | 0.759 | S | S | * | * | | | | 54.6 | 125.4 | 116.7 | -59.3 | 164.3 | 0 | 0 | 0 | 121.9 | | |
| 523 | A | 29.5 | Very low | 33.9 | Very low | 93 Ų | 93 | 118.1 Ų | 118.1 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | | | | -176.1 | 152.4 | 128.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 524 | I | 36.3 | Very low | 33.9 | Very low | 157 Ų | 157 | 119.2 Ų | 119.2 | 81% | 0.805 | 76% | 0.763 | S | S | * | * | | | trans | -145 | 140.1 | 169.7 | -48.4 | 174.8 | 0 | 0 | 0 | 109.6 | | |
| 525 | P | 48.2 | Very low | 34.2 | Very low | 121 Ų | 121 | 119.8 Ų | 119.8 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | | | | -134.5 | 138.1 | 126 | 14.9 | 6.4 | 0 | 0 | 0 | 111.6 | | |
| 526 | V | 33.4 | Very low | 34.8 | Very low | 137 Ų | 137 | 120.4 Ų | 120.4 | 83% | 0.83 | 76% | 0.764 | S | S | * | * | | | | 86.4 | 105.6 | 56.9 | 172.9 | 0 | 0 | 0 | 0 | 114.9 | | |
| 527 | G | 29.9 | Very low | 34.7 | Very low | 68 Ų | 68 | 122.4 Ų | 122.4 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | | | trans | 81.8 | 169.4 | 151.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 528 | T | 31.2 | Very low | 34.7 | Very low | 123 Ų | 123 | 124.5 Ų | 124.5 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | | | cis | -171.9 | 148.5 | -17.5 | -88.5 | 0 | 0 | 0 | 0 | 109 | | |
| 529 | L | 31.1 | Very low | 34.7 | Very low | 175 Ų | 175 | 126.1 Ų | 126.1 | 92% | 0.916 | 77% | 0.773 | S | S | * | * | | | trans | 64.3 | 157.1 | 177.9 | -100.2 | 66.6 | 0 | 0 | 0 | 116.1 | | |
| 530 | G | 30.1 | Very low | 34.9 | Very low | 66 Ų | 66 | 128.2 Ų | 128.2 | 68% | 0.68 | 77% | 0.773 | S | S | * | * | | | cis | 165.5 | 132.6 | -14.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 531 | S | 31.5 | Very low | 34.9 | Very low | 109 Ų | 109 | 128.7 Ų | 128.7 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | | | trans | 61.3 | 161.9 | 150.1 | -132.1 | 0 | 0 | 0 | 0 | 122.9 | | |
| 532 | Q | 33.7 | Very low | 35.2 | Very low | 154 Ų | 154 | 130.8 Ų | 130.8 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | | | trans | 74.5 | 92.8 | 163.6 | -46.3 | -47.6 | 74.5 | 0 | 0 | 121.1 | | |
| 533 | S | 31.6 | Very low | 36.1 | Very low | 95 Ų | 95 | 128.2 Ų | 128.2 | 66% | 0.664 | 77% | 0.772 | S | S | * | * | | | | 24.9 | 145.3 | 120.9 | 62.5 | 0 | 0 | 0 | 0 | 123.6 | | |
| 534 | S | 32.4 | Very low | 36.3 | Very low | 120 Ų | 120 | 132.8 Ų | 132.8 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | | | trans | 101.9 | 157.9 | 145.2 | 80 | 0 | 0 | 0 | 0 | 119.6 | | |
| 535 | T | 37.7 | Very low | 36 | Very low | 120 Ų | 120 | 131.4 Ų | 131.4 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | | | trans | -113 | 155.7 | -161.5 | 52.6 | 0 | 0 | 0 | 0 | 113.7 | | |
| 536 | P | 46.1 | Very low | 35.3 | Very low | 119 Ų | 119 | 130.5 Ų | 130.5 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | | | | -136.7 | 148.6 | 113.4 | 33.3 | -20 | 0 | 0 | 0 | 111.9 | | |
| 537 | I | 31.8 | Very low | 35.3 | Very low | 141 Ų | 141 | 131.9 Ų | 131.9 | 72% | 0.723 | 77% | 0.773 | S | S | * | * | | | cis | 85 | 109 | 46.6 | -64.7 | 178.6 | 0 | 0 | 0 | 114.3 | | |
| 538 | L | 34.4 | Very low | 35.6 | Very low | 156 Ų | 156 | 136.3 Ų | 136.3 | 82% | 0.817 | 78% | 0.775 | S | S | * | * | | | trans | 54.7 | 121.4 | 155.7 | -71.9 | 168 | 0 | 0 | 0 | 122.1 | | |
| 539 | T | 32.8 | Very low | 36.4 | Very low | 145 Ų | 145 | 135.5 Ų | 135.5 | 89% | 0.89 | 77% | 0.771 | S | S | * | * | | | | -163.5 | 157.9 | 112.8 | 10.1 | 0 | 0 | 0 | 0 | 114.3 | | |
| 540 | R | 36.2 | Very low | 36.4 | Very low | 226 Ų | 226 | 131 Ų | 131 | 85% | 0.853 | 76% | 0.755 | S | S | * | * | | | trans | -141.8 | 170.4 | 171.7 | -119.2 | -175.6 | 169.4 | 175.9 | -3.5 | 105.7 | | |
| 541 | P | 50.2 | Low | 36.5 | Very low | 116 Ų | 116 | 135.5 Ų | 135.5 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | | | cis | -145.8 | -172 | 35.1 | 36.6 | -11.6 | 0 | 0 | 0 | 118 | | |
| 542 | I | 38.7 | Very low | 36.6 | Very low | 137 Ų | 137 | 137.2 Ų | 137.2 | 70% | 0.703 | 76% | 0.76 | S | S | * | * | | | trans | -47.5 | 160.5 | 177.1 | -10.7 | 176.1 | 0 | 0 | 0 | 116.9 | | |
| 543 | P | 51.6 | Low | 36.7 | Very low | 114 Ų | 114 | 134.9 Ų | 134.9 | 74% | 0.74 | 76% | 0.761 | S | S | * | * | | | | -142.8 | 178.4 | 92.9 | 33.5 | -14.3 | 0 | 0 | 0 | 117.9 | | |
| 544 | F | 32.7 | Very low | 37.7 | Very low | 189 Ų | 189 | 135.6 Ų | 135.6 | 83% | 0.829 | 76% | 0.763 | S | S | * | * | | | trans | -51.2 | 172.5 | -177.7 | -52.2 | -98.4 | 0 | 0 | 0 | 116.8 | | |
| 545 | T | 31.3 | Very low | 38.5 | Very low | 129 Ų | 129 | 135.4 Ų | 135.4 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | | | cis | -159.8 | 147 | 37 | 51.7 | 0 | 0 | 0 | 0 | 117.2 | | |
| 546 | S | 32.1 | Very low | 38.4 | Very low | 102 Ų | 102 | 134.8 Ų | 134.8 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | | | trans | 48.6 | 123.4 | 130.8 | -157.1 | 0 | 0 | 0 | 0 | 123.9 | | |
| 547 | L | 34.4 | Very low | 38.6 | Very low | 166 Ų | 166 | 135.3 Ų | 135.3 | 87% | 0.869 | 76% | 0.763 | S | S | * | * | | | | -174.4 | 164.1 | 100.5 | -97.7 | 173.9 | 0 | 0 | 0 | 114 | | |
| 548 | H | 35.1 | Very low | 39.1 | Very low | 161 Ų | 161 | 138 Ų | 138 | 75% | 0.745 | 77% | 0.77 | S | S | * | * | | | trans | -118.4 | 177.5 | 176.1 | -137.4 | -129.5 | 0 | 0 | 0 | 107.8 | | |
| 549 | P | 48 | Very low | 39.3 | Very low | 105 Ų | 105 | 137.9 Ų | 137.9 | 68% | 0.682 | 77% | 0.765 | S | S | * | * | | | cis | -142.9 | 173.2 | 17.3 | 44.1 | -24.8 | 0 | 0 | 0 | 118.8 | | |
| 550 | S | 31.5 | Very low | 39.6 | Very low | 82 Ų | 82 | 138.1 Ų | 138.1 | 57% | 0.573 | 76% | 0.756 | S | S | * | * | | | trans | 30.7 | 126.6 | 142.8 | -54.5 | 0 | 0 | 0 | 0 | 122 | | |
| 551 | M | 32 | Very low | 39.6 | Very low | 160 Ų | 160 | 131.8 Ų | 131.8 | 79% | 0.788 | 75% | 0.752 | S | S | * | * | | | | -176.7 | 157.2 | 111 | -100.9 | -63.8 | 110.7 | 0 | 0 | 114.5 | | |
| 552 | L | 35 | Very low | 38.7 | Very low | 144 Ų | 144 | 130.9 Ų | 130.9 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | | | trans | 54.6 | 101.8 | 153.6 | -66.8 | 161.7 | 0 | 0 | 0 | 120.9 | | |
| 553 | S | 35.4 | Very low | 38.6 | Very low | 106 Ų | 106 | 131.1 Ų | 131.1 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | | | | -72.8 | 164 | 121.6 | 58.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 554 | P | 52.1 | Low | 37.7 | Very low | 109 Ų | 109 | 133.6 Ų | 133.6 | 71% | 0.708 | 76% | 0.757 | S | S | * | * | | | | -149 | -143.2 | 97.5 | 45 | -25 | 0 | 0 | 0 | 111.9 | | |
| 555 | P | 49.6 | Very low | 37.5 | Very low | 116 Ų | 116 | 128.9 Ų | 128.9 | 75% | 0.753 | 75% | 0.748 | S | S | * | * | | | | -131.4 | -174.5 | -126.8 | 35 | -9.6 | 0 | 0 | 0 | 116.1 | | |
| 556 | S | 36 | Very low | 37.7 | Very low | 107 Ų | 107 | 130.3 Ų | 130.3 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | | | trans | -70.1 | 145.1 | 163.3 | 52.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 557 | P | 49.3 | Very low | 37.9 | Very low | 130 Ų | 130 | 133.7 Ų | 133.7 | 84% | 0.844 | 75% | 0.749 | S | S | * | * | | | trans | -80 | 141.4 | -174.3 | 31.4 | -35.4 | 0 | 0 | 0 | 114.4 | | |
| 558 | F | 43.1 | Very low | 37.8 | Very low | 198 Ų | 198 | 129.9 Ų | 129.9 | 87% | 0.868 | 74% | 0.736 | S | S | * | * | | | trans | -112.1 | 170.4 | 156.7 | -115.2 | -85.7 | 0 | 0 | 0 | 108.1 | | |
| 559 | H | 39.2 | Very low | 37.8 | Very low | 153 Ų | 153 | 129.3 Ų | 129.3 | 71% | 0.708 | 74% | 0.738 | S | S | * | * | | | trans | 148.8 | 156.5 | 144 | -87.2 | -141.2 | 0 | 0 | 0 | 111 | | |
| 560 | Q | 39 | Very low | 37.1 | Very low | 151 Ų | 151 | 132.4 Ų | 132.4 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | | | cis | -163.5 | 142 | -26.8 | -106 | 179.4 | -7.3 | 0 | 0 | 105.2 | | |
| 561 | A | 35.6 | Very low | 37.4 | Very low | 93 Ų | 93 | 136.5 Ų | 136.5 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | | | | 79 | 119.3 | 64.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 562 | A | 31.4 | Very low | 37.4 | Very low | 96 Ų | 96 | 134.7 Ų | 134.7 | 79% | 0.793 | 75% | 0.754 | S | S | * | * | | | trans | 176.9 | 158.8 | 159.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 563 | L | 35.6 | Very low | 37.5 | Very low | 143 Ų | 143 | 136.7 Ų | 136.7 | 75% | 0.749 | 76% | 0.76 | S | S | * | * | | | cis | 175.5 | 156.8 | -36.9 | -103.9 | 175.9 | 0 | 0 | 0 | 106.3 | | |
| 564 | H | 32.9 | Very low | 39 | Very low | 166 Ų | 166 | 136.3 Ų | 136.3 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | | | trans | 84.9 | 99.6 | 166 | -48.2 | 115.5 | 0 | 0 | 0 | 122.5 | | |
| 565 | S | 29.2 | Very low | 38.2 | Very low | 90 Ų | 90 | 138.5 Ų | 138.5 | 63% | 0.629 | 76% | 0.76 | S | S | * | * | | | | 69 | 142.3 | 110.3 | -153.6 | 0 | 0 | 0 | 0 | 124.8 | | |
| 566 | H | 36.3 | Very low | 37.6 | Very low | 158 Ų | 158 | 137.6 Ų | 137.6 | 73% | 0.731 | 76% | 0.756 | S | S | * | * | | | trans | 103.1 | 139.2 | 153.4 | -58.4 | -73.7 | 0 | 0 | 0 | 122.3 | | |
| 567 | H | 35.6 | Very low | 37.8 | Very low | 173 Ų | 173 | 140.1 Ų | 140.1 | 80% | 0.801 | 76% | 0.76 | S | S | * | * | | | trans | 67.4 | 161.7 | 160.4 | -68.2 | -65.4 | 0 | 0 | 0 | 121.6 | | |
| 568 | S | 32 | Very low | 37.3 | Very low | 86 Ų | 86 | 139.8 Ų | 139.8 | 60% | 0.601 | 76% | 0.755 | S | S | * | * | | | | -174.4 | 128.5 | -72.7 | 50.5 | 0 | 0 | 0 | 0 | 114.3 | | |
| 569 | L | 35.9 | Very low | 37.3 | Very low | 149 Ų | 149 | 136.5 Ų | 136.5 | 78% | 0.78 | 75% | 0.752 | S | S | * | * | | | trans | 63 | 161.3 | 153.3 | -71.1 | 169.2 | 0 | 0 | 0 | 121.8 | | |
| 570 | F | 33.1 | Very low | 37.6 | Very low | 170 Ų | 170 | 138.4 Ų | 138.4 | 75% | 0.746 | 76% | 0.758 | S | S | * | * | | | trans | 66.6 | 131.1 | 175.6 | -54.7 | -76.6 | 0 | 0 | 0 | 116.9 | | |
| 571 | Q | 37.1 | Very low | 38.5 | Very low | 169 Ų | 169 | 136.6 Ų | 136.6 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | | | cis | 82.2 | 99.3 | 23.2 | -164.9 | -165 | 6.9 | 0 | 0 | 115.9 | | |
| 572 | S | 33.3 | Very low | 38.9 | Very low | 121 Ų | 121 | 138.7 Ų | 138.7 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | | | trans | -169.7 | 167.2 | 140.7 | 45.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 573 | Q | 35.8 | Very low | 39.6 | Very low | 187 Ų | 187 | 146.7 Ų | 146.7 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | | | trans | -124.1 | -174.7 | 178.2 | -120.8 | -151 | 20.4 | 0 | 0 | 109.7 | | |
| 574 | P | 67.1 | Low | 39.8 | Very low | 97 Ų | 97 | 146.9 Ų | 146.9 | 63% | 0.63 | 79% | 0.786 | S | S | * | * | | | trans | -94.4 | 176.7 | -147.8 | 40.4 | -39.6 | 0 | 0 | 0 | 115 | | |
| 575 | L | 34.6 | Very low | 40.2 | Very low | 156 Ų | 156 | 145.9 Ų | 145.9 | 82% | 0.817 | 79% | 0.786 | S | S | * | * | | | | 172.8 | 131 | 127.5 | -91.7 | 159.9 | 0 | 0 | 0 | 114.5 | | |
| 576 | S | 36.9 | Very low | 40.8 | Very low | 96 Ų | 96 | 149 Ų | 149 | 67% | 0.671 | 80% | 0.795 | S | S | * | * | | | trans | 62.1 | 162.8 | 134.7 | -61.7 | 0 | 0 | 0 | 0 | 125 | | |
| 577 | L | 40.2 | Very low | 41.1 | Very low | 161 Ų | 161 | 148.5 Ų | 148.5 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | | | trans | 80.5 | 122.2 | 173.9 | -53.1 | 173.1 | 0 | 0 | 0 | 115.7 | | |
| 578 | V | 40.5 | Very low | 41.4 | Very low | 122 Ų | 122 | 146.9 Ų | 146.9 | 74% | 0.739 | 80% | 0.799 | S | S | * | * | | | cis | 95.1 | 140.4 | 15.7 | -170.9 | 0 | 0 | 0 | 0 | 115.6 | | |
| 579 | T | 42.2 | Very low | 42.1 | Very low | 129 Ų | 129 | 151 Ų | 151 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | | | trans | 80 | 148.5 | -173.5 | 78.3 | 0 | 0 | 0 | 0 | 114.9 | | |
| 580 | K | 45.1 | Very low | 42.5 | Very low | 194 Ų | 194 | 151.1 Ų | 151.1 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | | | cis | -134.8 | 160.4 | 7.9 | -67.1 | 179.7 | 174.9 | -173.4 | 0 | 113 | | |
| 581 | P | 57.7 | Low | 43.2 | Very low | 113 Ų | 113 | 149.7 Ų | 149.7 | 73% | 0.734 | 82% | 0.819 | S | S | * | * | | | trans | -96.1 | 168.6 | 151.7 | 38.9 | -31.8 | 0 | 0 | 0 | 112.7 | | |
| 582 | T | 44.5 | Very low | 43.7 | Very low | 137 Ų | 137 | 148.1 Ų | 148.1 | 84% | 0.84 | 82% | 0.822 | S | S | * | * | | | trans | 34.2 | 107.1 | 153.1 | -44.2 | 0 | 0 | 0 | 0 | 119.7 | | |
| 583 | E | 47.2 | Very low | 44.7 | Very low | 264 Ų | 264 | 150.5 Ų | 150.5 | 100% | 1.234 | 82% | 0.82 | S | S | * | * | | | | -143.1 | 0 | 94.7 | -162.9 | 171 | 141.1 | 0 | 0 | 109.1 | | |