| 1 | M | 58.5 | Low | 65.6 | Low | 237 Ų | 237 | 166.8 Ų | 166.8 | 100% | 1.167 | 83% | 0.832 | S | S | * | * | | | | 0 | 118.2 | 0 | -149.2 | 84.2 | 84.3 | 0 | 0 | 107.6 | | |
| 2 | T | 75.7 | Confident | 64.8 | Low | 131 Ų | 131 | 165.8 Ų | 165.8 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | | | trans | -76.5 | 129.3 | -172.8 | 47.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 3 | H | 67.6 | Low | 64 | Low | 189 Ų | 189 | 161.4 Ų | 161.4 | 88% | 0.875 | 82% | 0.824 | S | S | * | * | | | trans | -129.3 | 110.8 | 153 | -86.6 | -68.9 | 0 | 0 | 0 | 109.8 | | |
| 4 | T | 66.1 | Low | 62.9 | Low | 130 Ų | 130 | 158.1 Ų | 158.1 | 80% | 0.798 | 82% | 0.823 | S | S | * | * | | | trans | -79.4 | 172.1 | 160.4 | 53.2 | 0 | 0 | 0 | 0 | 109.1 | | |
| 5 | R | 66.3 | Low | 62.3 | Low | 205 Ų | 205 | 151.9 Ų | 151.9 | 77% | 0.774 | 81% | 0.813 | S | S | * | * | | | trans | 100.2 | 119.4 | 169.4 | -151.5 | 175.7 | -173.3 | -94 | 1.3 | 112 | | |
| 6 | R | 69.4 | Low | 61.6 | Low | 194 Ų | 194 | 149.8 Ų | 149.8 | 73% | 0.732 | 81% | 0.81 | S | S | * | * | | | cis | -158 | 149.5 | 16.1 | -120.7 | 159.5 | 90.2 | -154.3 | 8.1 | 109.5 | S8 | R6-S8 PolarHBondContact O-N 2.91Š|
| 7 | K | 66 | Low | 60.2 | Low | 207 Ų | 207 | 149.4 Ų | 149.4 | 90% | 0.9 | 81% | 0.814 | S | S | * | * | | | trans | -64.1 | 120.3 | 166.1 | -62.2 | 180 | 174.4 | -177.7 | 0 | 109.4 | | |
| 8 | S | 70.4 | Confident | 59 | Low | 113 Ų | 113 | 145.5 Ų | 145.5 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | | | trans | -116 | 127 | 149 | 52.5 | 0 | 0 | 0 | 0 | 106.7 | R6 | R6-S8 PolarHBondContact O-N 2.91Š|
| 9 | L | 66.3 | Low | 58.3 | Low | 161 Ų | 161 | 147.8 Ų | 147.8 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | | | trans | -65.4 | 145.7 | 178.6 | -70.1 | 169.6 | 0 | 0 | 0 | 110.2 | | |
| 10 | P | 62 | Low | 57.4 | Low | 94 Ų | 94 | 143.8 Ų | 143.8 | 61% | 0.61 | 80% | 0.804 | S | S | * | * | | | trans | -66.3 | 135.5 | 178.6 | 27.7 | -33.4 | 0 | 0 | 0 | 110.2 | L12 | P10-L12 HydrophobicContact CG-CD2 4.38Å; P10-L12 PolarHBondContact O-N 2.97Å |
| 11 | M | 53.7 | Low | 56.7 | Low | 174 Ų | 174 | 140.9 Ų | 140.9 | 86% | 0.857 | 78% | 0.784 | S | S | * | * | | | trans | -62.2 | 103.3 | 156.8 | -71 | -88.6 | 71.1 | 0 | 0 | 106.4 | S13 | M11-S13 PolarHBondContact O-N 2.86Š|
| 12 | L | 56 | Low | 56.1 | Low | 155 Ų | 155 | 135.1 Ų | 135.1 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | | | trans | -71.9 | 87.2 | 169.5 | -68.2 | 175.6 | 0 | 0 | 0 | 107.6 | P10 S14 | P10-L12 HydrophobicContact CG-CD2 4.38Å; P10-L12 PolarHBondContact O-N 2.97Å; L12-S14 PolarHBondContact O-N 3.49Å |
| 13 | S | 53.5 | Low | 54.5 | Low | 108 Ų | 108 | 135.6 Ų | 135.6 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | | | trans | -54.6 | 122.2 | 147.3 | 55.8 | 0 | 0 | 0 | 0 | 109 | M11 | M11-S13 PolarHBondContact O-N 2.86Š|
| 14 | S | 49.6 | Very low | 53.5 | Low | 115 Ų | 115 | 134.5 Ų | 134.5 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | | | trans | -131.5 | 92 | 148 | 53.9 | 0 | 0 | 0 | 0 | 107.4 | L12 | L12-S14 PolarHBondContact O-N 3.49Š|
| 15 | G | 52.6 | Low | 52.4 | Low | 65 Ų | 65 | 136.1 Ų | 136.1 | 67% | 0.67 | 76% | 0.757 | S | S | * | * | | | trans | -69.3 | 166.3 | 146 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 16 | P | 51.7 | Low | 51.4 | Low | 119 Ų | 119 | 134.7 Ų | 134.7 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | | | | -124.6 | 140.8 | 73.9 | 12.1 | 9.6 | 0 | 0 | 0 | 111.7 | | |
| 17 | T | 37.9 | Very low | 50 | Low | 142 Ų | 142 | 132.9 Ų | 132.9 | 87% | 0.871 | 76% | 0.764 | S | S | * | * | | | | 62.3 | 98.7 | 81.8 | -47.7 | 0 | 0 | 0 | 0 | 112.1 | | |
| 18 | G | 38 | Very low | 49.1 | Very low | 80 Ų | 80 | 127.9 Ų | 127.9 | 83% | 0.825 | 76% | 0.755 | S | S | * | * | | | trans | -159.8 | 47.9 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 19 | R | 45.5 | Very low | 48.3 | Very low | 189 Ų | 189 | 129.7 Ų | 129.7 | 71% | 0.713 | 76% | 0.756 | S | S | * | * | | | trans | -78.8 | 114.9 | 163.4 | -178.5 | -177.9 | -174.8 | -86.8 | -7.9 | 107.1 | E21 | R19-E21 IonicContact CZ-OE1 2.77Å; R19-E21 VanDerWaalsContact NH1-CD 3.31Å; R19-E21 VanDerWaalsContact NH1-CG 3.26Å; R19-E21 IonicContact NH1-OE1 2.7Å; R19-E21 PolarHBondContact NH1-OE1 2.85Å; R19-E21 IonicContact NH2-OE1 2.68Å; R19-E21 PolarHBondContact NH2-OE1 3.13Å |
| 20 | G | 40.8 | Very low | 47.3 | Very low | 68 Ų | 68 | 130.2 Ų | 130.2 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | | | trans | -127.7 | 88.1 | 148.4 | 0 | 0 | 0 | 0 | 0 | 105.4 | | |
| 21 | E | 43.2 | Very low | 46.7 | Very low | 82 Ų | 82 | 133.9 Ų | 133.9 | 38% | 0.383 | 77% | 0.765 | S | S | . | * | | | | 53.6 | 100.2 | 103.7 | -77.4 | -100.5 | 123.2 | 0 | 0 | 111.8 | R19 L23 | R19-E21 IonicContact CZ-OE1 2.77Å; R19-E21 VanDerWaalsContact NH1-CD 3.31Å; R19-E21 VanDerWaalsContact NH1-CG 3.26Å; R19-E21 IonicContact NH1-OE1 2.7Å; R19-E21 PolarHBondContact NH1-OE1 2.85Å; R19-E21 IonicContact NH2-OE1 2.68Å; R19-E21 PolarHBondContact NH2-OE1 3.13Å; E21-L23 PolarHBondContact O-N 2.94Å |
| 22 | P | 46.1 | Very low | 46.1 | Very low | 116 Ų | 116 | 135.2 Ų | 135.2 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | | | | -63.5 | 113 | 127.8 | 29.2 | -24.7 | 0 | 0 | 0 | 105.3 | Q24 | P22-Q24 PolarHBondContact O-N 3.42Š|
| 23 | L | 41.2 | Very low | 45.3 | Very low | 142 Ų | 142 | 131.3 Ų | 131.3 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | | | trans | -46.1 | 111.3 | 169.8 | -70.4 | 163.4 | 0 | 0 | 0 | 107.3 | E21 M25 | E21-L23 PolarHBondContact O-N 2.94Å; L23-M25 PolarHBondContact O-N 2.77Å |
| 24 | Q | 46.5 | Very low | 44.8 | Very low | 165 Ų | 165 | 132.4 Ų | 132.4 | 77% | 0.771 | 77% | 0.769 | S | S | * | * | | | trans | -63 | 95.5 | 155.1 | -72.3 | -176.4 | -10.3 | 0 | 0 | 103.8 | P22 E26 | P22-Q24 PolarHBondContact O-N 3.42Å; Q24-E26 PolarHBondContact O-N 2.68Å; Q24-E26 VanDerWaalsContact O-N 3.13Å |
| 25 | M | 43.8 | Very low | 44.5 | Very low | 164 Ų | 164 | 135.7 Ų | 135.7 | 81% | 0.808 | 77% | 0.771 | S | S | * | * | | | trans | -64.8 | 116.8 | 164.8 | -151.9 | 122.9 | -152.6 | 0 | 0 | 104.4 | L23 D27 | L23-M25 PolarHBondContact O-N 2.77Å; M25-D27 VanDerWaalsContact C-N 3.27Å; M25-D27 PolarHBondContact O-N 2.92Å |
| 26 | E | 44.2 | Very low | 44.1 | Very low | 176 Ų | 176 | 139.9 Ų | 139.9 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | | | trans | -57.6 | 96.1 | 171.7 | -62.3 | 175.9 | 107.7 | 0 | 0 | 106.9 | Q24 S28 | Q24-E26 PolarHBondContact O-N 2.68Å; Q24-E26 VanDerWaalsContact O-N 3.13Å; E26-S28 PolarHBondContact O-N 3.37Å; E26-S28 PolarHBondContact O-OG 3.27Å |
| 27 | D | 41.2 | Very low | 43.9 | Very low | 155 Ų | 155 | 140 Ų | 140 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | | | trans | -65.2 | 97.7 | 162.7 | -74.7 | -37.8 | 0 | 0 | 0 | 105.4 | M25 N29 | M25-D27 VanDerWaalsContact C-N 3.27Å; M25-D27 PolarHBondContact O-N 2.92Å; D27-N29 PolarHBondContact O-N 2.84Å |
| 28 | S | 46.9 | Very low | 44.4 | Very low | 103 Ų | 103 | 140.8 Ų | 140.8 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | | | trans | -57.1 | 111.3 | 176.3 | -16.4 | 0 | 0 | 0 | 0 | 105.9 | E26 M30 | E26-S28 PolarHBondContact O-N 3.37Å; E26-S28 PolarHBondContact O-OG 3.27Å; S28-M30 PolarHBondContact O-N 3.24Å |
| 29 | N | 53.6 | Low | 45.2 | Very low | 150 Ų | 150 | 142.4 Ų | 142.4 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | | | trans | -40.5 | 102 | 161.2 | -176.9 | -47.1 | 0 | 0 | 0 | 108.9 | D27 | D27-N29 PolarHBondContact O-N 2.84Š|
| 30 | M | 45.8 | Very low | 45 | Very low | 173 Ų | 173 | 136.6 Ų | 136.6 | 85% | 0.852 | 77% | 0.765 | S | S | * | * | | | trans | -121.7 | 100.1 | 165.4 | -110.8 | 165.2 | 63.3 | 0 | 0 | 106.4 | S28 | S28-M30 PolarHBondContact O-N 3.24Š|
| 31 | E | 48.4 | Very low | 45.7 | Very low | 171 Ų | 171 | 142 Ų | 142 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | | | trans | -3 | 119.2 | 151.3 | -50.7 | -167.9 | 101.9 | 0 | 0 | 115.9 | | |
| 32 | Q | 41.7 | Very low | 46.2 | Very low | 201 Ų | 201 | 144 Ų | 144 | 94% | 0.939 | 79% | 0.794 | S | S | * | * | | | trans | 173 | 109.5 | 143.6 | -95.3 | 158.1 | 32 | 0 | 0 | 104.7 | | |
| 33 | G | 39.3 | Very low | 46.2 | Very low | 74 Ų | 74 | 147.1 Ų | 147.1 | 76% | 0.763 | 80% | 0.799 | S | S | * | * | | | | 120.8 | 130.1 | 74 | 0 | 0 | 0 | 0 | 0 | 105.9 | | |
| 34 | T | 42.8 | Very low | 47 | Very low | 130 Ų | 130 | 145.7 Ų | 145.7 | 80% | 0.798 | 80% | 0.801 | S | S | * | * | | | trans | -33.7 | 161.3 | 173 | 16.7 | 0 | 0 | 0 | 0 | 117.3 | | |
| 35 | E | 43.3 | Very low | 47.4 | Very low | 185 Ų | 185 | 144.2 Ų | 144.2 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | | | trans | 97.7 | 101 | 162.9 | 86.6 | -147.8 | 104.7 | 0 | 0 | 116.1 | | |
| 36 | D | 44.4 | Very low | 48 | Very low | 152 Ų | 152 | 139.7 Ų | 139.7 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | | | | 69.4 | 121.5 | 75.8 | -155.7 | 48.8 | 0 | 0 | 0 | 114.1 | | |
| 37 | V | 48 | Very low | 48.8 | Very low | 121 Ų | 121 | 139.2 Ų | 139.2 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | | | trans | 72.2 | 128.6 | 170.1 | -177.7 | 0 | 0 | 0 | 0 | 114.9 | | |
| 38 | E | 48.3 | Very low | 49.6 | Very low | 159 Ų | 159 | 140 Ų | 140 | 74% | 0.743 | 80% | 0.802 | S | S | * | * | | | cis | -176.2 | 166 | 40.8 | -141.1 | -105.1 | 150.2 | 0 | 0 | 108.8 | | |
| 39 | P | 54 | Low | 50.1 | Low | 114 Ų | 114 | 142 Ų | 142 | 74% | 0.74 | 81% | 0.81 | S | S | * | * | | | trans | -94.6 | 107.3 | 173 | 26.7 | -10.6 | 0 | 0 | 0 | 112.7 | | |
| 40 | G | 40.8 | Very low | 50.2 | Low | 67 Ų | 67 | 137.5 Ų | 137.5 | 69% | 0.691 | 80% | 0.799 | S | S | * | * | | | trans | -130.3 | 109.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 41 | M | 56 | Low | 51.1 | Low | 183 Ų | 183 | 140.4 Ų | 140.4 | 90% | 0.901 | 80% | 0.801 | S | S | * | * | | | trans | 35.4 | 128.8 | 153.9 | -72.7 | -66.9 | -164.4 | 0 | 0 | 122.4 | E43 | M41-E43 PolarHBondContact O-N 3.01Š|
| 42 | P | 53.9 | Low | 52.2 | Low | 122 Ų | 122 | 142.4 Ų | 142.4 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | | | trans | -78.1 | 111.4 | 167.9 | 31.6 | -31.4 | 0 | 0 | 0 | 112.5 | | |
| 43 | E | 46.9 | Very low | 54 | Low | 182 Ų | 182 | 140.6 Ų | 140.6 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | | | trans | 24.3 | 116.6 | 132.6 | -134.4 | 167.4 | 162.5 | 0 | 0 | 119.3 | M41 P45 | M41-E43 PolarHBondContact O-N 3.01Å; E43-P45 WeakPolarHBondContact O-CD 3.46Å |
| 44 | S | 57.6 | Low | 55.6 | Low | 113 Ų | 113 | 144.1 Ų | 144.1 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | | | trans | -69.4 | 125.1 | 172 | 178.2 | 0 | 0 | 0 | 0 | 112.3 | G46 | S44-G46 PolarHBondContact O-N 3.49Š|
| 45 | P | 55.3 | Low | 57.2 | Low | 133 Ų | 133 | 146.6 Ų | 146.6 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | | | trans | -92.4 | 81 | 171.8 | 0.2 | 19.5 | 0 | 0 | 0 | 111 | E43 | E43-P45 WeakPolarHBondContact O-CD 3.46Š|
| 46 | G | 55.6 | Low | 58.7 | Low | 70 Ų | 70 | 143.6 Ų | 143.6 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | | | trans | -95.9 | 55.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S44 | S44-G46 PolarHBondContact O-N 3.49Š|
| 47 | H | 60.8 | Low | 60 | Low | 165 Ų | 165 | 143.9 Ų | 143.9 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | | | trans | -161.3 | 62.9 | 176.1 | -159.6 | -72.8 | 0 | 0 | 0 | 115.5 | | |
| 48 | L | 57.6 | Low | 61.3 | Low | 171 Ų | 171 | 149.3 Ų | 149.3 | 90% | 0.895 | 79% | 0.791 | S | S | * | * | | | trans | -153.4 | 50.4 | 153.5 | -73.4 | -173.3 | 0 | 0 | 0 | 111 | G50 | L48-G50 PolarHBondContact O-N 2.86Š|
| 49 | T | 58.2 | Low | 62.1 | Low | 147 Ų | 147 | 151.5 Ų | 151.5 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | | | trans | -76.9 | 65.1 | 166.6 | 57.6 | 0 | 0 | 0 | 0 | 109.5 | R51 | T49-R51 PolarHBondContact O-N 3.02Š|
| 50 | G | 56.6 | Low | 62.6 | Low | 55 Ų | 55 | 157.3 Ų | 157.3 | 57% | 0.567 | 81% | 0.806 | S | S | * | * | | | trans | -63.6 | 102.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | L48 R52 | L48-G50 PolarHBondContact O-N 2.86Å; G50-R52 VanDerWaalsContact C-N 3.34Å; G50-R52 WeakPolarHBondContact O-CG 3.41Å; G50-R52 PolarHBondContact O-N 2.85Å |
| 51 | R | 64.4 | Low | 63.7 | Low | 234 Ų | 234 | 158.7 Ų | 158.7 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | | | trans | 32.8 | 51.5 | 141.5 | -158.5 | 173.8 | 129.5 | -109.6 | 0.6 | 117.2 | T49 | T49-R51 PolarHBondContact O-N 3.02Š|
| 52 | R | 71.2 | Confident | 63.9 | Low | 213 Ų | 213 | 158.2 Ų | 158.2 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | | | trans | -100.9 | 112.8 | 166.6 | -64.3 | -179.5 | 93 | -149.4 | 5.3 | 108.6 | G50 N54 | G50-R52 VanDerWaalsContact C-N 3.34Å; G50-R52 WeakPolarHBondContact O-CG 3.41Å; G50-R52 PolarHBondContact O-N 2.85Å; R52-N54 PolarHBondContact O-N 3.25Å |
| 53 | K | 78.9 | Confident | 64.3 | Low | 163 Ų | 163 | 157.5 Ų | 157.5 | 71% | 0.709 | 80% | 0.798 | S | S | * | * | | | trans | -74.1 | 110.1 | 172.3 | -63.4 | -62.6 | -176.5 | 179.4 | 0 | 107.7 | Y55 | K53-Y55 HydrophobicContact CB-CD2 4.44Å; K53-Y55 HydrophobicContact CB-CE2 3.87Å; K53-Y55 PolarHBondContact O-N 2.84Å |
| 54 | N | 72.4 | Confident | 65 | Low | 147 Ų | 147 | 154.4 Ų | 154.4 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | | | trans | -85.1 | 92.9 | 172.3 | -69.2 | -57.4 | 0 | 0 | 0 | 108.4 | R52 | R52-N54 PolarHBondContact O-N 3.25Š|
| 55 | Y | 76.6 | Confident | 65.5 | Low | 183 Ų | 183 | 155.5 Ų | 155.5 | 72% | 0.718 | 79% | 0.787 | S | S | * | * | | | trans | -67.2 | 142.7 | 170.8 | -64.8 | -80.6 | 0 | 0 | 0 | 109.5 | K53 L57 | K53-Y55 HydrophobicContact CB-CD2 4.44Å; K53-Y55 HydrophobicContact CB-CE2 3.87Å; K53-Y55 PolarHBondContact O-N 2.84Å; Y55-L57 PolarHBondContact O-N 3.29Å |
| 56 | P | 74.5 | Confident | 66.2 | Low | 121 Ų | 121 | 158 Ų | 158 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | | | trans | -57.4 | 114 | 176 | -20.6 | 30.9 | 0 | 0 | 0 | 109 | R58 | P56-R58 PolarHBondContact O-N 3.46Š|
| 57 | L | 72 | Confident | 67.1 | Low | 158 Ų | 158 | 160.6 Ų | 160.6 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | | | trans | -62.2 | 110.6 | 169.5 | -81.2 | 95.6 | 0 | 0 | 0 | 106.4 | Y55 K59 | Y55-L57 PolarHBondContact O-N 3.29Å; L57-K59 PolarHBondContact O-N 2.96Å |
| 58 | R | 76.3 | Confident | 67.7 | Low | 235 Ų | 235 | 160.7 Ų | 160.7 | 89% | 0.887 | 79% | 0.786 | S | S | * | * | | | trans | -47.5 | 120.8 | 171.8 | -70 | 178.2 | -175.3 | 163.2 | 1.2 | 106.8 | P56 R60 | P56-R58 PolarHBondContact O-N 3.46Å; R58-R60 PolarHBondContact O-N 2.97Å |
| 59 | K | 64.7 | Low | 68.7 | Low | 206 Ų | 206 | 156.9 Ų | 156.9 | 90% | 0.896 | 78% | 0.779 | S | S | * | * | | | trans | -51.5 | 99.9 | -178.8 | -61.2 | -74.1 | -175.9 | 175.2 | 0 | 107.6 | L57 S61 | L57-K59 PolarHBondContact O-N 2.96Å; K59-S61 PolarHBondContact O-N 2.94Å; K59-S61 VanDerWaalsContact O-N 3.17Å |
| 60 | R | 64.6 | Low | 69.5 | Low | 236 Ų | 236 | 155.5 Ų | 155.5 | 89% | 0.891 | 77% | 0.774 | S | S | * | * | | | trans | -66 | 113.7 | 160.4 | -72.6 | -178 | 171.3 | 144.4 | -1.8 | 103.5 | R58 L62 | R58-R60 PolarHBondContact O-N 2.97Å; R60-L62 PolarHBondContact O-N 3.04Å |
| 61 | S | 63.9 | Low | 70.7 | Confident | 95 Ų | 95 | 162.3 Ų | 162.3 | 66% | 0.664 | 79% | 0.788 | S | S | * | * | | | trans | -52.5 | 116.8 | 174.8 | 47.2 | 0 | 0 | 0 | 0 | 107.1 | K59 V63 | K59-S61 PolarHBondContact O-N 2.94Å; K59-S61 VanDerWaalsContact O-N 3.17Å; S61-V63 PolarHBondContact O-N 3.04Å |
| 62 | L | 60.2 | Low | 71.7 | Confident | 174 Ų | 174 | 156.9 Ų | 156.9 | 91% | 0.911 | 78% | 0.781 | S | S | * | * | | | trans | -76.1 | 51.4 | 170 | -163 | 75.4 | 0 | 0 | 0 | 107.8 | R60 P64 | R60-L62 PolarHBondContact O-N 3.04Å; L62-P64 WeakPolarHBondContact O-CD 3.45Å |
| 63 | V | 61.7 | Low | 72.4 | Confident | 107 Ų | 107 | 154.5 Ų | 154.5 | 65% | 0.648 | 78% | 0.783 | S | S | * | * | | | trans | -91.1 | 114.1 | 170.7 | 174 | 0 | 0 | 0 | 0 | 104.4 | S61 E65 | S61-V63 PolarHBondContact O-N 3.04Å; V63-E65 VanDerWaalsContact C-N 3.31Å; V63-E65 PolarHBondContact O-N 2.78Å |
| 64 | P | 62.3 | Low | 72.7 | Confident | 117 Ų | 117 | 154.1 Ų | 154.1 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | | | trans | -63.3 | 100.3 | 169.3 | 25.2 | -29.6 | 0 | 0 | 0 | 107 | L62 K66 | L62-P64 WeakPolarHBondContact O-CD 3.45Å; P64-K66 PolarHBondContact O-N 3.19Å; P64-K66 VanDerWaalsContact O-N 3.15Å |
| 65 | E | 67.9 | Low | 73.3 | Confident | 136 Ų | 136 | 153.1 Ų | 153.1 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 117.9 | 167.6 | -166.3 | -162.9 | 179.4 | 0 | 0 | 106.3 | V63 K68 | V63-E65 VanDerWaalsContact C-N 3.31Å; V63-E65 PolarHBondContact O-N 2.78Å; E65-K68 VanDerWaalsContact OE1-CE 3.28Å; E65-K68 WeakPolarHBondContact OE1-CE 3.47Å; E65-K68 IonicContact OE1-NZ 3.87Å; E65-K68 PolarHBondContact OE1-NZ 3.05Å |
| 66 | K | 69.6 | Low | 73.6 | Confident | 184 Ų | 184 | 152.9 Ų | 152.9 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -56 | 129.3 | 177.5 | -61.2 | 178.4 | -177.5 | 178.4 | 0 | 107.7 | P64 K68 | P64-K66 PolarHBondContact O-N 3.19Å; P64-K66 VanDerWaalsContact O-N 3.15Å; K66-K68 PolarHBondContact O-N 3.4Å |
| 67 | P | 74.1 | Confident | 73.6 | Confident | 125 Ų | 125 | 153.6 Ų | 153.6 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 116.5 | -177.9 | 23.7 | -32.1 | 0 | 0 | 0 | 109 | A69 | P67-A69 PolarHBondContact O-N 3.09Š|
| 68 | K | 73.9 | Confident | 73.7 | Confident | 168 Ų | 168 | 152.2 Ų | 152.2 | 73% | 0.73 | 77% | 0.771 | S | S | * | * | | | trans | -68.4 | 97.7 | 173 | -70.1 | 169.1 | 176.8 | 145.8 | 0 | 107.6 | E65 K66 C70 | E65-K68 VanDerWaalsContact OE1-CE 3.28Å; E65-K68 WeakPolarHBondContact OE1-CE 3.47Å; E65-K68 IonicContact OE1-NZ 3.87Å; E65-K68 PolarHBondContact OE1-NZ 3.05Å; K66-K68 PolarHBondContact O-N 3.4Å; K68-C70 PolarHBondContact O-N 3.43Å |
| 69 | A | 79.1 | Confident | 73.2 | Confident | 91 Ų | 91 | 147.2 Ų | 147.2 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | | | trans | -79.6 | 104.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | P67 | P67-A69 PolarHBondContact O-N 3.09Š|
| 70 | C | 75.4 | Confident | 73.2 | Confident | 117 Ų | 117 | 142.9 Ų | 142.9 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 121.9 | 171.8 | -65.6 | 0 | 0 | 0 | 0 | 109.3 | K68 | K68-C70 PolarHBondContact O-N 3.43Š|
| 71 | K | 80.4 | Confident | 73.2 | Confident | 199 Ų | 199 | 134.8 Ų | 134.8 | 87% | 0.865 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 120.7 | 173 | -64.1 | -178.9 | -177.7 | 179.1 | 0 | 108.6 | | |
| 72 | V | 86.8 | Confident | 73.2 | Confident | 120 Ų | 120 | 132.7 Ų | 132.7 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 122.2 | 171.7 | -179.4 | 0 | 0 | 0 | 0 | 107.4 | L74 | V72-L74 HydrophobicContact CG1-CD2 4Å; V72-L74 HydrophobicContact CG1-CG 4.32Å |
| 73 | L | 85.4 | Confident | 73.1 | Confident | 162 Ų | 162 | 130.8 Ų | 130.8 | 85% | 0.848 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -97 | 120.6 | 172.5 | -62 | 176.4 | 0 | 0 | 0 | 107.9 | | |
| 74 | L | 85.8 | Confident | 72.9 | Confident | 156 Ų | 156 | 136.7 Ų | 136.7 | 82% | 0.817 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -103.2 | 123 | 174.6 | -63.3 | 176.9 | 0 | 0 | 0 | 108.9 | V72 | V72-L74 HydrophobicContact CG1-CD2 4Å; V72-L74 HydrophobicContact CG1-CG 4.32Å |
| 75 | T | 83.4 | Confident | 72.4 | Confident | 126 Ų | 126 | 136.3 Ų | 136.3 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 130.4 | 173.3 | -48.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 76 | R | 83.2 | Confident | 71.9 | Confident | 178 Ų | 178 | 135 Ų | 135 | 67% | 0.672 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 132.6 | 174.6 | -65.4 | -176.7 | 174.9 | -170 | -2.4 | 109.5 | E78 | R76-E78 HydrophobicContact CB-CG 3.85Å; R76-E78 WeakPolarHBondContact CD-OE1 2.91Å; R76-E78 IonicContact NH1-OE1 3.14Å; R76-E78 PolarHBondContact O-N 3.03Å |
| 77 | L | 74.3 | Confident | 71.2 | Confident | 135 Ų | 135 | 133 Ų | 133 | 71% | 0.707 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -77.8 | -0.1 | -178.2 | -70.1 | 172.6 | 0 | 0 | 0 | 113.8 | N79 V80 A81 | L77-N79 PolarHBondContact O-N 3.15Å; L77-N79 VanDerWaalsContact O-N 3.12Å; L77-V80 HydrophobicContact CD2-CB 4.35Å; L77-V80 HydrophobicContact CD2-CG2 3.86Å; L77-V80 PolarHBondContact O-N 2.61Å; L77-A81 PolarHBondContact O-N 2.64Å |
| 78 | E | 75.1 | Confident | 70.4 | Confident | 130 Ų | 130 | 136.1 Ų | 136.1 | 61% | 0.607 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -60 | -17.4 | 173.4 | 64.6 | -157.4 | -162.2 | 0 | 0 | 113.2 | R76 | R76-E78 HydrophobicContact CB-CG 3.85Å; R76-E78 WeakPolarHBondContact CD-OE1 2.91Å; R76-E78 IonicContact NH1-OE1 3.14Å; R76-E78 PolarHBondContact O-N 3.03Å |
| 79 | N | 65.4 | Low | 69.2 | Low | 130 Ų | 130 | 132.7 Ų | 132.7 | 70% | 0.695 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -94.2 | -7.3 | 175.6 | -55.2 | 97.5 | 0 | 0 | 0 | 114.3 | L77 | L77-N79 PolarHBondContact O-N 3.15Å; L77-N79 VanDerWaalsContact O-N 3.12Å |
| 80 | V | 65 | Low | 68.4 | Low | 115 Ų | 115 | 135.8 Ų | 135.8 | 70% | 0.697 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | -32.5 | -179.4 | -179 | 0 | 0 | 0 | 0 | 111.3 | L77 G82 | L77-V80 HydrophobicContact CD2-CB 4.35Å; L77-V80 HydrophobicContact CD2-CG2 3.86Å; L77-V80 PolarHBondContact O-N 2.61Å; V80-G82 PolarHBondContact O-N 3.11Å |
| 81 | A | 64.3 | Low | 67.5 | Low | 65 Ų | 65 | 139.1 Ų | 139.1 | 54% | 0.537 | 76% | 0.763 | S | S | . | * | S | Bend | trans | -85.1 | 103.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108 | L77 | L77-A81 PolarHBondContact O-N 2.64Š|
| 82 | G | 63.1 | Low | 66.5 | Low | 51 Ų | 51 | 137.4 Ų | 137.4 | 53% | 0.526 | 76% | 0.763 | S | S | . | * | | | trans | -50.5 | 160.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112 | V80 R84 | V80-G82 PolarHBondContact O-N 3.11Å; G82-R84 PolarHBondContact O-N 2.78Å |
| 83 | P | 58.6 | Low | 65.5 | Low | 135 Ų | 135 | 137.1 Ų | 137.1 | 88% | 0.877 | 76% | 0.764 | S | S | * | * | | | trans | -55.9 | 113.1 | -167.1 | 24.5 | -33.5 | 0 | 0 | 0 | 110.4 | S85 | P83-S85 PolarHBondContact O-N 3Š|
| 84 | R | 58.9 | Low | 64.5 | Low | 230 Ų | 230 | 135.2 Ų | 135.2 | 87% | 0.868 | 76% | 0.761 | S | S | * | * | | | trans | -74.8 | 111.6 | 165.2 | -79 | -175.9 | 164.8 | 162.1 | -3.8 | 106.5 | G82 A86 | G82-R84 PolarHBondContact O-N 2.78Å; R84-A86 PolarHBondContact O-N 3.17Å |
| 85 | S | 50.1 | Low | 63.2 | Low | 109 Ų | 109 | 135.5 Ų | 135.5 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | | | trans | -48.9 | 119.1 | 173.3 | 43.9 | 0 | 0 | 0 | 0 | 109.7 | P83 D87 | P83-S85 PolarHBondContact O-N 3Å; S85-D87 PolarHBondContact O-N 2.89Å; S85-D87 VanDerWaalsContact O-N 3.12Å |
| 86 | A | 57.3 | Low | 62.4 | Low | 110 Ų | 110 | 137.2 Ų | 137.2 | 91% | 0.909 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -83.7 | 48.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111 | R84 | R84-A86 PolarHBondContact O-N 3.17Š|
| 87 | D | 55.4 | Low | 61.4 | Low | 142 Ų | 142 | 134.3 Ų | 134.3 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | | | trans | -148.6 | 91 | -178.4 | -163.4 | 35.3 | 0 | 0 | 0 | 109 | S85 | S85-D87 PolarHBondContact O-N 2.89Å; S85-D87 VanDerWaalsContact O-N 3.12Å |
| 88 | E | 57.3 | Low | 60.9 | Low | 190 Ų | 190 | 136.9 Ų | 136.9 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 149.1 | 87.8 | 165.3 | -88.2 | -98.3 | 109.1 | 0 | 0 | 108.6 | | |
| 89 | A | 48.9 | Very low | 60.3 | Low | 96 Ų | 96 | 135.6 Ų | 135.6 | 79% | 0.793 | 78% | 0.779 | S | S | * | * | | | trans | 170.8 | 60.8 | 142.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | E91 | A89-E91 VanDerWaalsContact C-N 3.28Å; A89-E91 PolarHBondContact O-N 2.75Å |
| 90 | D | 63.1 | Low | 59.9 | Low | 156 Ų | 156 | 135.1 Ų | 135.1 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | | | trans | -72.5 | 90.6 | 149 | -177 | 28.1 | 0 | 0 | 0 | 106.7 | | |
| 91 | E | 55.3 | Low | 59.2 | Low | 186 Ų | 186 | 133.7 Ų | 133.7 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | | | trans | -162.1 | 91.5 | 150.7 | -82.3 | -136.3 | 152.8 | 0 | 0 | 108 | A89 | A89-E91 VanDerWaalsContact C-N 3.28Å; A89-E91 PolarHBondContact O-N 2.75Å |
| 92 | L | 60.1 | Low | 58.7 | Low | 164 Ų | 164 | 136.3 Ų | 136.3 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 126.8 | 168 | -68.5 | 170 | 0 | 0 | 0 | 109.7 | | |
| 93 | P | 65.8 | Low | 57.7 | Low | 114 Ų | 114 | 139.5 Ų | 139.5 | 74% | 0.74 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 145.1 | 150.4 | 30.4 | -28.7 | 0 | 0 | 0 | 110.1 | | |
| 94 | P | 65.2 | Low | 57.1 | Low | 122 Ų | 122 | 138.1 Ų | 138.1 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 145.1 | -171.6 | 32.2 | -34 | 0 | 0 | 0 | 113.3 | | |
| 95 | D | 58.4 | Low | 56.6 | Low | 161 Ų | 161 | 131.5 Ų | 131.5 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | | | trans | 38.1 | 92.1 | 156 | -92.1 | -22.6 | 0 | 0 | 0 | 118.7 | | |
| 96 | L | 65.5 | Low | 56.7 | Low | 163 Ų | 163 | 131.4 Ų | 131.4 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | | | trans | -90.8 | 129.5 | 148.8 | -71.2 | 171.6 | 0 | 0 | 0 | 108.7 | K98 | L96-K98 PolarHBondContact O-N 3.21Š|
| 97 | P | 62.9 | Low | 56.4 | Low | 116 Ų | 116 | 134 Ų | 134 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | | | trans | -60.6 | 133.1 | -179.6 | 25 | -32.7 | 0 | 0 | 0 | 109.9 | | |
| 98 | K | 64.3 | Low | 56.5 | Low | 190 Ų | 190 | 134.1 Ų | 134.1 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | | | trans | -44.2 | 123.1 | 173.1 | -163.6 | 86.4 | 175.6 | -175.1 | 0 | 108.7 | L96 | L96-K98 PolarHBondContact O-N 3.21Š|
| 99 | P | 62.3 | Low | 56.4 | Low | 103 Ų | 103 | 127.4 Ų | 127.4 | 67% | 0.669 | 75% | 0.753 | S | S | * | * | | | trans | -56.7 | 132.4 | 166.1 | 24.7 | -31.4 | 0 | 0 | 0 | 106.4 | S101 | P99-S101 PolarHBondContact O-N 3.27Š|
| 100 | P | 56.9 | Low | 56.8 | Low | 119 Ų | 119 | 124.6 Ų | 124.6 | 77% | 0.773 | 73% | 0.732 | S | S | * | * | | | trans | -53.1 | 125.3 | 170 | 24.4 | -31.5 | 0 | 0 | 0 | 105.5 | | |
| 101 | S | 50.3 | Low | 56.4 | Low | 86 Ų | 86 | 125.4 Ų | 125.4 | 60% | 0.601 | 74% | 0.736 | S | S | * | * | | | trans | -37.7 | 135.3 | 167.2 | 45.3 | 0 | 0 | 0 | 0 | 107.9 | P99 T103 | P99-S101 PolarHBondContact O-N 3.27Å; S101-T103 PolarHBondContact O-N 3.42Å |
| 102 | P | 53.5 | Low | 57 | Low | 119 Ų | 119 | 122.3 Ų | 122.3 | 77% | 0.773 | 73% | 0.729 | S | S | * | * | | | trans | -59 | 97.5 | 159.6 | 27 | -30.5 | 0 | 0 | 0 | 104.3 | S104 | P102-S104 PolarHBondContact O-N 2.87Š|
| 103 | T | 42.3 | Very low | 57.6 | Low | 118 Ų | 118 | 117.1 Ų | 117.1 | 72% | 0.724 | 70% | 0.701 | S | S | * | * | | | trans | -49.9 | 100 | 149.6 | 36.4 | 0 | 0 | 0 | 0 | 102.4 | S101 S105 | S101-T103 PolarHBondContact O-N 3.42Å; T103-S105 PolarHBondContact O-N 3.11Å |
| 104 | S | 46.3 | Very low | 58.8 | Low | 107 Ų | 107 | 115.7 Ų | 115.7 | 75% | 0.748 | 69% | 0.691 | S | S | * | * | | | trans | -63.7 | 74.3 | 161.9 | 33.5 | 0 | 0 | 0 | 0 | 104.9 | P102 S106 | P102-S104 PolarHBondContact O-N 2.87Å; S104-S106 PolarHBondContact O-N 2.78Å |
| 105 | S | 48.3 | Very low | 60.1 | Low | 91 Ų | 91 | 119.6 Ų | 119.6 | 64% | 0.636 | 69% | 0.69 | S | S | * | * | | | trans | -70.6 | 52.6 | 158.4 | 179.8 | 0 | 0 | 0 | 0 | 107.4 | T103 | T103-S105 PolarHBondContact O-N 3.11Š|
| 106 | S | 52.1 | Low | 61.8 | Low | 107 Ų | 107 | 120.7 Ų | 120.7 | 75% | 0.748 | 69% | 0.688 | S | S | * | * | | | trans | -102.5 | 67 | 153.5 | 177.1 | 0 | 0 | 0 | 0 | 103 | S104 D108 | S104-S106 PolarHBondContact O-N 2.78Å; S106-D108 PolarHBondContact O-N 3.36Å; S106-D108 VanDerWaalsContact O-N 3.15Å |
| 107 | E | 51.3 | Low | 63 | Low | 163 Ų | 163 | 120 Ų | 120 | 76% | 0.762 | 67% | 0.674 | S | S | * | * | | | trans | -58 | 119.9 | 172.9 | -67.4 | 178.1 | 115.2 | 0 | 0 | 107.4 | | |
| 108 | D | 55.8 | Low | 64.6 | Low | 145 Ų | 145 | 120.3 Ų | 120.3 | 78% | 0.775 | 66% | 0.66 | S | S | * | * | S | Bend | | 64.8 | 58.9 | 128.9 | -156 | 43 | 0 | 0 | 0 | 117.6 | S106 | S106-D108 PolarHBondContact O-N 3.36Å; S106-D108 VanDerWaalsContact O-N 3.15Å |
| 109 | A | 55.3 | Low | 66 | Low | 50 Ų | 50 | 115.5 Ų | 115.5 | 41% | 0.413 | 64% | 0.642 | S | S | . | * | | | trans | -146.7 | -11.6 | 156.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L111 | A109-L111 VanDerWaalsContact C-N 3.27Å; A109-L111 PolarHBondContact O-N 3.17Å |
| 110 | G | 58 | Low | 67.5 | Low | 36 Ų | 36 | 113.3 Ų | 113.3 | 37% | 0.371 | 63% | 0.633 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.9 | -20.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | R118 | G110-R118 WeakPolarHBondContact O-CD 3.33Å; G110-R118 VanDerWaalsContact O-CZ 3.26Å; G110-R118 PolarHBondContact O-NE 2.64Å; G110-R118 PolarHBondContact O-NH1 2.99Å |
| 111 | L | 55.3 | Low | 69.3 | Low | 174 Ų | 174 | 110.1 Ų | 110.1 | 91% | 0.911 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.4 | -19.1 | -177.8 | -58.1 | -177.8 | 0 | 0 | 0 | 113.7 | A109 | A109-L111 VanDerWaalsContact C-N 3.27Å; A109-L111 PolarHBondContact O-N 3.17Å |
| 112 | V | 67.8 | Low | 71.5 | Confident | 120 Ų | 120 | 111 Ų | 111 | 73% | 0.727 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -28.6 | -175.9 | -177.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 113 | Q | 73.3 | Confident | 73.4 | Confident | 56 Ų | 56 | 110.3 Ų | 110.3 | 26% | 0.262 | 60% | 0.601 | S | S | . | * | S | Bend | trans | -85.8 | 134.2 | -177.5 | -67.3 | -165.3 | 11.2 | 0 | 0 | 112.8 | R115 R118 | Q113-R115 PolarHBondContact O-N 3.09Å; Q113-R118 HydrophobicContact CB-CG 3.86Å; Q113-R118 WeakPolarHBondContact O-CD 3.43Å |
| 114 | P | 90.3 | Very high | 75.9 | Confident | 83 Ų | 83 | 106.8 Ų | 106.8 | 54% | 0.539 | 58% | 0.584 | S | S | . | * | | | trans | -58.3 | 138.9 | 178 | 19.6 | -27.9 | 0 | 0 | 0 | 110.4 | K116 R117 R118 | P114-K116 PolarHBondContact O-N 3.42Å; P114-R117 HydrophobicContact CG-CB 3.84Å; P114-R117 WeakPolarHBondContact O-CA 3.33Å; P114-R117 WeakPolarHBondContact O-CB 3.4Å; P114-R117 PolarHBondContact O-N 2.79Å; P114-R118 PolarHBondContact O-N 3.07Å; P114-R118 VanDerWaalsContact O-N 3.09Å |
| 115 | R | 91.4 | Very high | 78.2 | Confident | 205 Ų | 205 | 106.4 Ų | 106.4 | 77% | 0.774 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -49.6 | -36.5 | -174.6 | -173.3 | 176.1 | 178.9 | 165.6 | 1.1 | 113.7 | Q113 R118 L119 | Q113-R115 PolarHBondContact O-N 3.09Å; R115-R118 PolarHBondContact O-N 2.96Å; R115-L119 PolarHBondContact O-N 3.46Å; R115-L119 VanDerWaalsContact O-N 3.07Å |
| 116 | K | 93.9 | Very high | 80.4 | Confident | 184 Ų | 184 | 104.4 Ų | 104.4 | 80% | 0.8 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.4 | -40.1 | 175.9 | -65.4 | -173.1 | 179 | -179.6 | 0 | 112.7 | P114 A120 | P114-K116 PolarHBondContact O-N 3.42Å; K116-A120 WeakPolarHBondContact O-CB 3.39Å; K116-A120 PolarHBondContact O-N 2.93Å |
| 117 | R | 92.5 | Very high | 82.4 | Confident | 149 Ų | 149 | 104.5 Ų | 104.5 | 56% | 0.562 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66 | -41.1 | 175 | -178.8 | -178.7 | 174.4 | -172.7 | -1.8 | 111.1 | P114 A120 S121 | P114-R117 HydrophobicContact CG-CB 3.84Å; P114-R117 WeakPolarHBondContact O-CA 3.33Å; P114-R117 WeakPolarHBondContact O-CB 3.4Å; P114-R117 PolarHBondContact O-N 2.79Å; R117-A120 PolarHBondContact O-N 3.26Å; R117-S121 PolarHBondContact O-N 3.03Å |
| 118 | R | 94.7 | Very high | 84.4 | Confident | 121 Ų | 121 | 100.7 Ų | 100.7 | 46% | 0.457 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.6 | -47.7 | 175.7 | -68.9 | 177.6 | 58 | -167.2 | -4.8 | 112.1 | G110 Q113 P114 R115 A120 S121 L122 | G110-R118 WeakPolarHBondContact O-CD 3.33Å; G110-R118 VanDerWaalsContact O-CZ 3.26Å; G110-R118 PolarHBondContact O-NE 2.64Å; G110-R118 PolarHBondContact O-NH1 2.99Å; Q113-R118 HydrophobicContact CB-CG 3.86Å; Q113-R118 WeakPolarHBondContact O-CD 3.43Å; P114-R118 PolarHBondContact O-N 3.07Å; P114-R118 VanDerWaalsContact O-N 3.09Å; R115-R118 PolarHBondContact O-N 2.96Å; R118-A120 VanDerWaalsContact C-N 3.33Å; R118-A120 PolarHBondContact O-N 3.32Å; R118-S121 PolarHBondContact O-N 3.48Å; R118-L122 WeakPolarHBondContact O-CB 3.48Å; R118-L122 PolarHBondContact O-N 2.99Å |
| 119 | L | 94.2 | Very high | 86.2 | Confident | 89 Ų | 89 | 97.9 Ų | 97.9 | 47% | 0.466 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.1 | -38.3 | 176.8 | -74 | 169.4 | 0 | 0 | 0 | 112.2 | R115 L122 N123 | R115-L119 PolarHBondContact O-N 3.46Å; R115-L119 VanDerWaalsContact O-N 3.07Å; L119-L122 PolarHBondContact O-N 3.45Å; L119-N123 VanDerWaalsContact O-CB 3.31Å; L119-N123 WeakPolarHBondContact O-CB 3.48Å; L119-N123 PolarHBondContact O-N 2.84Å; L119-N123 PolarHBondContact O-ND2 3.09Å; L119-N123 PolarHBondContact O-OD1 3.09Å |
| 120 | A | 94.9 | Very high | 87.9 | Confident | 57 Ų | 57 | 100.7 Ų | 100.7 | 47% | 0.471 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.8 | -42.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | K116 R117 R118 N123 A124 | K116-A120 WeakPolarHBondContact O-CB 3.39Å; K116-A120 PolarHBondContact O-N 2.93Å; R117-A120 PolarHBondContact O-N 3.26Å; R118-A120 VanDerWaalsContact C-N 3.33Å; R118-A120 PolarHBondContact O-N 3.32Å; A120-N123 PolarHBondContact O-N 2.9Å; A120-A124 WeakPolarHBondContact O-CB 3.49Å; A120-A124 PolarHBondContact O-N 3.38Å |
| 121 | S | 93.9 | Very high | 89.5 | Confident | 53 Ų | 53 | 103.1 Ų | 103.1 | 37% | 0.371 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.6 | -49.2 | 174.5 | -162.9 | 0 | 0 | 0 | 0 | 111.2 | R117 R118 N123 A124 E125 | R117-S121 PolarHBondContact O-N 3.03Å; R118-S121 PolarHBondContact O-N 3.48Å; S121-N123 VanDerWaalsContact C-N 3.3Å; S121-N123 PolarHBondContact O-N 2.85Å; S121-A124 WeakPolarHBondContact O-CB 3.39Å; S121-A124 PolarHBondContact O-N 3.33Å; S121-A124 VanDerWaalsContact O-N 3.09Å; S121-E125 WeakPolarHBondContact O-CG 2.92Å; S121-E125 PolarHBondContact O-N 3.44Å; S121-E125 PolarHBondContact OG-OE1 3.27Å |
| 122 | L | 95.9 | Very high | 90.9 | Very high | 105 Ų | 105 | 99.1 Ų | 99.1 | 55% | 0.55 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57.1 | -43.2 | 176.7 | -112.4 | 168.2 | 0 | 0 | 0 | 112.1 | R118 L119 E125 A126 | R118-L122 WeakPolarHBondContact O-CB 3.48Å; R118-L122 PolarHBondContact O-N 2.99Å; L119-L122 PolarHBondContact O-N 3.45Å; L122-E125 PolarHBondContact O-N 2.94Å; L122-A126 PolarHBondContact O-N 2.9Å |
| 123 | N | 95.1 | Very high | 91.8 | Very high | 103 Ų | 103 | 98.7 Ų | 98.7 | 55% | 0.551 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67 | -38.4 | 177.4 | -70.8 | -7.6 | 0 | 0 | 0 | 111.9 | L119 A120 S121 L127 | L119-N123 VanDerWaalsContact O-CB 3.31Å; L119-N123 WeakPolarHBondContact O-CB 3.48Å; L119-N123 PolarHBondContact O-N 2.84Å; L119-N123 PolarHBondContact O-ND2 3.09Å; L119-N123 PolarHBondContact O-OD1 3.09Å; A120-N123 PolarHBondContact O-N 2.9Å; S121-N123 VanDerWaalsContact C-N 3.3Å; S121-N123 PolarHBondContact O-N 2.85Å; N123-L127 WeakPolarHBondContact O-CG 3.33Å; N123-L127 PolarHBondContact O-N 3.35Å; N123-L127 VanDerWaalsContact O-N 3.09Å |
| 124 | A | 94.8 | Very high | 92.4 | Very high | 45 Ų | 45 | 104.3 Ų | 104.3 | 37% | 0.372 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.1 | -42.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | A120 S121 L127 N128 | A120-A124 WeakPolarHBondContact O-CB 3.49Å; A120-A124 PolarHBondContact O-N 3.38Å; S121-A124 WeakPolarHBondContact O-CB 3.39Å; S121-A124 PolarHBondContact O-N 3.33Å; S121-A124 VanDerWaalsContact O-N 3.09Å; A124-L127 PolarHBondContact O-N 2.88Å; A124-N128 WeakPolarHBondContact O-CB 3.45Å; A124-N128 PolarHBondContact O-N 3.5Å; A124-N128 PolarHBondContact O-ND2 3.37Å; A124-N128 PolarHBondContact O-OD1 2.78Å |
| 125 | E | 93.4 | Very high | 92.2 | Very high | 98 Ų | 98 | 104.5 Ų | 104.5 | 46% | 0.458 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.5 | -45.4 | 175.3 | -72.5 | 161.6 | -141.7 | 0 | 0 | 111.6 | S121 L122 L127 N128 N129 | S121-E125 WeakPolarHBondContact O-CG 2.92Å; S121-E125 PolarHBondContact O-N 3.44Å; S121-E125 PolarHBondContact OG-OE1 3.27Å; L122-E125 PolarHBondContact O-N 2.94Å; E125-L127 PolarHBondContact O-N 3.43Å; E125-N128 PolarHBondContact O-N 2.82Å; E125-N129 VanDerWaalsContact O-CG 3.26Å; E125-N129 PolarHBondContact O-N 2.71Å; E125-N129 PolarHBondContact O-OD1 3.24Å |
| 126 | A | 95 | Very high | 91.5 | Very high | 49 Ų | 49 | 101.3 Ų | 101.3 | 41% | 0.405 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.2 | -44.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L122 N129 L130 | L122-A126 PolarHBondContact O-N 2.9Å; A126-N129 PolarHBondContact O-N 2.9Å; A126-L130 WeakPolarHBondContact O-CD1 2.88Å; A126-L130 PolarHBondContact O-N 3.29Å |
| 127 | L | 94.4 | Very high | 90.4 | Very high | 109 Ų | 109 | 96.8 Ų | 96.8 | 57% | 0.571 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.9 | -39.3 | 176.9 | -71.8 | 176.7 | 0 | 0 | 0 | 112.4 | N123 A124 E125 N129 L130 L131 | N123-L127 WeakPolarHBondContact O-CG 3.33Å; N123-L127 PolarHBondContact O-N 3.35Å; N123-L127 VanDerWaalsContact O-N 3.09Å; A124-L127 PolarHBondContact O-N 2.88Å; E125-L127 PolarHBondContact O-N 3.43Å; L127-N129 VanDerWaalsContact C-N 3.33Å; L127-N129 PolarHBondContact O-N 3.4Å; L127-L130 PolarHBondContact O-N 3.19Å; L127-L131 WeakPolarHBondContact O-CB 3.31Å; L127-L131 WeakPolarHBondContact O-CG 3.45Å; L127-L131 PolarHBondContact O-N 3.38Å |
| 128 | N | 93.6 | Very high | 89.3 | Confident | 84 Ų | 84 | 91.5 Ų | 91.5 | 45% | 0.449 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.7 | -41.4 | 176.7 | -72.4 | -13.4 | 0 | 0 | 0 | 111 | A124 E125 L130 L131 L132 | A124-N128 WeakPolarHBondContact O-CB 3.45Å; A124-N128 PolarHBondContact O-N 3.5Å; A124-N128 PolarHBondContact O-ND2 3.37Å; A124-N128 PolarHBondContact O-OD1 2.78Å; E125-N128 PolarHBondContact O-N 2.82Å; N128-L130 PolarHBondContact O-N 3.07Å; N128-L131 PolarHBondContact O-N 2.7Å; N128-L132 VanDerWaalsContact O-CB 3.31Å; N128-L132 WeakPolarHBondContact O-CB 3.5Å; N128-L132 WeakPolarHBondContact O-CG 3.39Å; N128-L132 PolarHBondContact O-N 2.85Å |
| 129 | N | 93.4 | Very high | 87.8 | Confident | 85 Ų | 85 | 89.9 Ų | 89.9 | 46% | 0.455 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.3 | -44.9 | 175.6 | -65.8 | -14.3 | 0 | 0 | 0 | 111.2 | E125 A126 L127 L131 L132 E133 | E125-N129 VanDerWaalsContact O-CG 3.26Å; E125-N129 PolarHBondContact O-N 2.71Å; E125-N129 PolarHBondContact O-OD1 3.24Å; A126-N129 PolarHBondContact O-N 2.9Å; L127-N129 VanDerWaalsContact C-N 3.33Å; L127-N129 PolarHBondContact O-N 3.4Å; N129-L131 VanDerWaalsContact C-N 3.31Å; N129-L131 PolarHBondContact O-N 3.18Å; N129-L132 PolarHBondContact O-N 3.33Å; N129-E133 VanDerWaalsContact O-CB 3.23Å; N129-E133 WeakPolarHBondContact O-CB 3.35Å; N129-E133 WeakPolarHBondContact O-CG 3.36Å; N129-E133 PolarHBondContact O-N 2.86Å |
| 130 | L | 90.9 | Very high | 86.1 | Confident | 110 Ų | 110 | 92.9 Ų | 92.9 | 58% | 0.576 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.2 | -36.6 | 176.4 | -92.1 | 71 | 0 | 0 | 0 | 112.8 | A126 L127 N128 R134 | A126-L130 WeakPolarHBondContact O-CD1 2.88Å; A126-L130 PolarHBondContact O-N 3.29Å; L127-L130 PolarHBondContact O-N 3.19Å; N128-L130 PolarHBondContact O-N 3.07Å; L130-R134 WeakPolarHBondContact O-CB 3.17Å; L130-R134 PolarHBondContact O-N 3.47Å; L130-R134 VanDerWaalsContact O-N 3.07Å |
| 131 | L | 91.1 | Very high | 84.4 | Confident | 86 Ų | 86 | 92.3 Ų | 92.3 | 45% | 0.45 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.2 | -54.7 | 174.7 | -73.5 | 172 | 0 | 0 | 0 | 109.7 | L127 N128 N129 E133 R134 E135 | L127-L131 WeakPolarHBondContact O-CB 3.31Å; L127-L131 WeakPolarHBondContact O-CG 3.45Å; L127-L131 PolarHBondContact O-N 3.38Å; N128-L131 PolarHBondContact O-N 2.7Å; N129-L131 VanDerWaalsContact C-N 3.31Å; N129-L131 PolarHBondContact O-N 3.18Å; L131-E133 PolarHBondContact O-N 2.85Å; L131-R134 CarbonylContact O-C 3.57Å; L131-R134 VanDerWaalsContact O-CA 3.27Å; L131-R134 WeakPolarHBondContact O-CA 3.25Å; L131-R134 VanDerWaalsContact O-CB 3.26Å; L131-R134 WeakPolarHBondContact O-CB 3.29Å; L131-R134 PolarHBondContact O-N 2.71Å; L131-E135 PolarHBondContact O-N 2.99Å |
| 132 | L | 85.3 | Confident | 82.6 | Confident | 90 Ų | 90 | 90.4 Ų | 90.4 | 47% | 0.471 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.3 | -46.5 | -179.1 | -68.6 | 170 | 0 | 0 | 0 | 111.9 | N128 N129 R134 E135 E136 | N128-L132 VanDerWaalsContact O-CB 3.31Å; N128-L132 WeakPolarHBondContact O-CB 3.5Å; N128-L132 WeakPolarHBondContact O-CG 3.39Å; N128-L132 PolarHBondContact O-N 2.85Å; N129-L132 PolarHBondContact O-N 3.33Å; L132-R134 VanDerWaalsContact C-N 3.27Å; L132-R134 PolarHBondContact O-N 3.46Å; L132-E135 VanDerWaalsContact CA-OE2 3.25Å; L132-E135 WeakPolarHBondContact CA-OE2 3.43Å; L132-E135 PolarHBondContact N-OE2 3.15Å; L132-E135 VanDerWaalsContact N-OE2 3.15Å; L132-E135 CarbonylContact O-C 3.34Å; L132-E135 PolarHBondContact O-N 2.86Å; L132-E135 VanDerWaalsContact O-N 3.11Å; L132-E136 WeakPolarHBondContact O-CB 3.23Å; L132-E136 VanDerWaalsContact O-CG 3.29Å; L132-E136 WeakPolarHBondContact O-CG 3.37Å; L132-E136 PolarHBondContact O-N 2.98Å |
| 133 | E | 85.7 | Confident | 80.6 | Confident | 112 Ų | 112 | 89.5 Ų | 89.5 | 52% | 0.523 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.5 | -37.7 | 173.3 | -71.3 | 169.3 | -156.4 | 0 | 0 | 111.3 | N129 L131 T137 | N129-E133 VanDerWaalsContact O-CB 3.23Å; N129-E133 WeakPolarHBondContact O-CB 3.35Å; N129-E133 WeakPolarHBondContact O-CG 3.36Å; N129-E133 PolarHBondContact O-N 2.86Å; L131-E133 PolarHBondContact O-N 2.85Å; E133-T137 WeakPolarHBondContact O-CB 3.19Å; E133-T137 WeakPolarHBondContact O-CG2 3.26Å; E133-T137 PolarHBondContact O-N 2.86Å; E133-T137 PolarHBondContact O-OG1 3.15Å |
| 134 | R | 86.1 | Confident | 78.8 | Confident | 174 Ų | 174 | 96 Ų | 96 | 66% | 0.657 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -69.8 | -36.9 | 173.7 | -174.3 | -176.5 | -174.6 | 90.9 | -0.8 | 111.6 | L130 L131 L132 T137 S138 | L130-R134 WeakPolarHBondContact O-CB 3.17Å; L130-R134 PolarHBondContact O-N 3.47Å; L130-R134 VanDerWaalsContact O-N 3.07Å; L131-R134 CarbonylContact O-C 3.57Å; L131-R134 VanDerWaalsContact O-CA 3.27Å; L131-R134 WeakPolarHBondContact O-CA 3.25Å; L131-R134 VanDerWaalsContact O-CB 3.26Å; L131-R134 WeakPolarHBondContact O-CB 3.29Å; L131-R134 PolarHBondContact O-N 2.71Å; L132-R134 VanDerWaalsContact C-N 3.27Å; L132-R134 PolarHBondContact O-N 3.46Å; R134-T137 WeakPolarHBondContact CA-OG1 3.27Å; R134-T137 PolarHBondContact O-OG1 2.81Å; R134-S138 VanDerWaalsContact O-CA 3.28Å; R134-S138 WeakPolarHBondContact O-CA 3.13Å; R134-S138 WeakPolarHBondContact O-CB 3.33Å; R134-S138 PolarHBondContact O-N 3.47Å; R134-S138 PolarHBondContact O-OG 2.97Å |
| 135 | E | 85.1 | Confident | 77 | Confident | 87 Ų | 87 | 101.5 Ų | 101.5 | 41% | 0.407 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -72.5 | -35.8 | 175.4 | -73.6 | 105.3 | -145.9 | 0 | 0 | 111.9 | L131 L132 S138 S139 | L131-E135 PolarHBondContact O-N 2.99Å; L132-E135 VanDerWaalsContact CA-OE2 3.25Å; L132-E135 WeakPolarHBondContact CA-OE2 3.43Å; L132-E135 PolarHBondContact N-OE2 3.15Å; L132-E135 VanDerWaalsContact N-OE2 3.15Å; L132-E135 CarbonylContact O-C 3.34Å; L132-E135 PolarHBondContact O-N 2.86Å; L132-E135 VanDerWaalsContact O-N 3.11Å; E135-S138 WeakPolarHBondContact CA-OG 3.16Å; E135-S138 CarbonylContact O-C 3.57Å; E135-S139 WeakPolarHBondContact O-CA 3.31Å; E135-S139 WeakPolarHBondContact O-CB 3.42Å; E135-S139 PolarHBondContact O-N 3.45Å |
| 136 | E | 77.9 | Confident | 75.1 | Confident | 138 Ų | 138 | 102.2 Ų | 102.2 | 65% | 0.645 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66.6 | -46.1 | 174.5 | -72.3 | 171.8 | -168.2 | 0 | 0 | 110.6 | L132 L140 | L132-E136 WeakPolarHBondContact O-CB 3.23Å; L132-E136 VanDerWaalsContact O-CG 3.29Å; L132-E136 WeakPolarHBondContact O-CG 3.37Å; L132-E136 PolarHBondContact O-N 2.98Å; E136-L140 WeakPolarHBondContact O-CB 3.28Å; E136-L140 PolarHBondContact O-N 2.7Å; E136-L140 VanDerWaalsContact O-N 3.17Å |
| 137 | T | 70.1 | Confident | 73.3 | Confident | 89 Ų | 89 | 111.7 Ų | 111.7 | 55% | 0.546 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -73.1 | -32.9 | 176.2 | 57.7 | 0 | 0 | 0 | 0 | 112.7 | E133 R134 A141 | E133-T137 WeakPolarHBondContact O-CB 3.19Å; E133-T137 WeakPolarHBondContact O-CG2 3.26Å; E133-T137 PolarHBondContact O-N 2.86Å; E133-T137 PolarHBondContact O-OG1 3.15Å; R134-T137 WeakPolarHBondContact CA-OG1 3.27Å; R134-T137 PolarHBondContact O-OG1 2.81Å; T137-A141 WeakPolarHBondContact O-CB 3.19Å; T137-A141 PolarHBondContact O-N 2.85Å |
| 138 | S | 69.8 | Low | 71.4 | Confident | 38 Ų | 38 | 110.1 Ų | 110.1 | 27% | 0.266 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -87.9 | -14.7 | 177.3 | 74.8 | 0 | 0 | 0 | 0 | 114 | R134 E135 G142 | R134-S138 VanDerWaalsContact O-CA 3.28Å; R134-S138 WeakPolarHBondContact O-CA 3.13Å; R134-S138 WeakPolarHBondContact O-CB 3.33Å; R134-S138 PolarHBondContact O-N 3.47Å; R134-S138 PolarHBondContact O-OG 2.97Å; E135-S138 WeakPolarHBondContact CA-OG 3.16Å; E135-S138 CarbonylContact O-C 3.57Å; S138-G142 WeakPolarHBondContact O-CA 3.08Å; S138-G142 PolarHBondContact O-N 2.7Å |
| 139 | S | 62.4 | Low | 69 | Low | 87 Ų | 87 | 109.5 Ų | 109.5 | 61% | 0.608 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -76.4 | -42.4 | 166.9 | -172.9 | 0 | 0 | 0 | 0 | 108.3 | E135 A143 | E135-S139 WeakPolarHBondContact O-CA 3.31Å; E135-S139 WeakPolarHBondContact O-CB 3.42Å; E135-S139 PolarHBondContact O-N 3.45Å; S139-A143 WeakPolarHBondContact O-CB 3.44Å; S139-A143 PolarHBondContact O-N 3.01Å; S139-A143 VanDerWaalsContact O-N 3.09Å |
| 140 | L | 59.1 | Low | 67.1 | Low | 151 Ų | 151 | 112.1 Ų | 112.1 | 79% | 0.791 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66.7 | -39 | 171.9 | -157.6 | 71.7 | 0 | 0 | 0 | 112.7 | E136 | E136-L140 WeakPolarHBondContact O-CB 3.28Å; E136-L140 PolarHBondContact O-N 2.7Å; E136-L140 VanDerWaalsContact O-N 3.17Å |
| 141 | A | 59.3 | Low | 65.4 | Low | 46 Ų | 46 | 112.9 Ų | 112.9 | 38% | 0.38 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -87.5 | -20.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | T137 R145 | T137-A141 WeakPolarHBondContact O-CB 3.19Å; T137-A141 PolarHBondContact O-N 2.85Å; A141-R145 VanDerWaalsContact CB-NH1 3.33Å; A141-R145 PolarHBondContact O-NH1 3.16Å |
| 142 | G | 56.6 | Low | 63.5 | Low | 12 Ų | 12 | 115.6 Ų | 115.6 | 12% | 0.124 | 63% | 0.625 | C | S | . | * | H | α-helix | trans | -94 | -20.9 | -174 | 0 | 0 | 0 | 0 | 0 | 113.7 | S138 R144 R145 S146 | S138-G142 WeakPolarHBondContact O-CA 3.08Å; S138-G142 PolarHBondContact O-N 2.7Å; G142-R144 PolarHBondContact O-N 2.77Å; G142-R144 VanDerWaalsContact O-N 3.11Å; G142-R145 PolarHBondContact O-N 2.66Å; G142-S146 WeakPolarHBondContact O-CB 3.28Å; G142-S146 PolarHBondContact O-N 3.3Å |
| 143 | A | 53.6 | Low | 61.9 | Low | 87 Ų | 87 | 121.7 Ų | 121.7 | 72% | 0.719 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | -22.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S139 | S139-A143 WeakPolarHBondContact O-CB 3.44Å; S139-A143 PolarHBondContact O-N 3.01Å; S139-A143 VanDerWaalsContact O-N 3.09Å |
| 144 | R | 56.3 | Low | 60.4 | Low | 238 Ų | 238 | 121.3 Ų | 121.3 | 90% | 0.898 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -6.7 | 176.2 | -71.6 | -175.6 | 166.1 | -94 | -0.8 | 115.3 | G142 | G142-R144 PolarHBondContact O-N 2.77Å; G142-R144 VanDerWaalsContact O-N 3.11Å |
| 145 | R | 58.6 | Low | 58.9 | Low | 162 Ų | 162 | 124.6 Ų | 124.6 | 61% | 0.611 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.7 | -4.1 | -176.7 | 55.3 | 179.8 | -164.7 | -99 | 1.5 | 115 | A141 G142 R147 | A141-R145 VanDerWaalsContact CB-NH1 3.33Å; A141-R145 PolarHBondContact O-NH1 3.16Å; G142-R145 PolarHBondContact O-N 2.66Å; R145-R147 PolarHBondContact O-N 3.02Å |
| 146 | S | 53.6 | Low | 57.2 | Low | 112 Ų | 112 | 127.2 Ų | 127.2 | 78% | 0.783 | 68% | 0.68 | S | S | * | * | | | trans | -83.6 | 56.1 | 172.8 | -163.7 | 0 | 0 | 0 | 0 | 112.3 | G142 | G142-S146 WeakPolarHBondContact O-CB 3.28Å; G142-S146 PolarHBondContact O-N 3.3Å |
| 147 | R | 57 | Low | 56.2 | Low | 248 Ų | 248 | 132.1 Ų | 132.1 | 94% | 0.936 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -142.6 | 81.5 | 158.7 | -168.8 | -179.6 | -86.4 | -115.8 | 3.6 | 107.7 | R145 | R145-R147 PolarHBondContact O-N 3.02Š|
| 148 | G | 52.9 | Low | 55.3 | Low | 76 Ų | 76 | 132 Ų | 132 | 78% | 0.784 | 70% | 0.701 | S | S | * | * | S | Bend | trans | 134.9 | 117.7 | 168 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 149 | G | 45.2 | Very low | 54.4 | Low | 72 Ų | 72 | 136.3 Ų | 136.3 | 74% | 0.742 | 73% | 0.726 | S | S | * | * | | | trans | 125.7 | 81.7 | 159.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | P151 | G149-P151 WeakPolarHBondContact O-CD 3.39Š|
| 150 | D | 52.5 | Low | 54 | Low | 140 Ų | 140 | 136.2 Ų | 136.2 | 75% | 0.749 | 74% | 0.739 | S | S | * | * | | | trans | -52.8 | 128.1 | 149.5 | 177.9 | 5.4 | 0 | 0 | 0 | 109.8 | H152 | D150-H152 PolarHBondContact OD1-N 3.32Š|
| 151 | P | 55.5 | Low | 53.5 | Low | 125 Ų | 125 | 132.5 Ų | 132.5 | 81% | 0.812 | 73% | 0.725 | S | S | * | * | | | trans | -112.3 | 47.1 | 169.4 | 40.2 | -27.6 | 0 | 0 | 0 | 111.2 | G149 R153 | G149-P151 WeakPolarHBondContact O-CD 3.39Å; P151-R153 PolarHBondContact O-N 3.3Å |
| 152 | H | 51.6 | Low | 53.2 | Low | 144 Ų | 144 | 142.1 Ų | 142.1 | 67% | 0.667 | 75% | 0.752 | S | S | * | * | | | trans | -89.2 | 84 | 151.2 | -164.7 | -81.3 | 0 | 0 | 0 | 109.4 | D150 | D150-H152 PolarHBondContact OD1-N 3.32Š|
| 153 | R | 51.3 | Low | 52.8 | Low | 218 Ų | 218 | 146.3 Ų | 146.3 | 82% | 0.823 | 78% | 0.779 | S | S | * | * | S | Bend | trans | 179.5 | 131 | 140.4 | -86.1 | -108.5 | 176.2 | -137.3 | -3.8 | 111 | P151 | P151-R153 PolarHBondContact O-N 3.3Š|
| 154 | S | 53.8 | Low | 52.3 | Low | 103 Ų | 103 | 149.5 Ų | 149.5 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | | | trans | 68.4 | 94.3 | 135.9 | 177.9 | 0 | 0 | 0 | 0 | 117.7 | | |
| 155 | R | 54 | Low | 52.1 | Low | 244 Ų | 244 | 143.1 Ų | 143.1 | 92% | 0.921 | 77% | 0.769 | S | S | * | * | | | | -145.7 | 125.3 | 124.3 | -147 | 172 | -170 | 177.7 | 2.4 | 111.5 | | |
| 156 | D | 50.8 | Low | 51.6 | Low | 141 Ų | 141 | 142.6 Ų | 142.6 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | | | trans | -49.8 | 144.7 | 170.2 | -65.3 | -67.4 | 0 | 0 | 0 | 113.1 | | |
| 157 | R | 56.8 | Low | 51.6 | Low | 241 Ų | 241 | 146.2 Ų | 146.2 | 91% | 0.909 | 77% | 0.773 | S | S | * | * | S | Bend | trans | 18.5 | 130.6 | 138.4 | -169.9 | 173.5 | -73.4 | -163.6 | -2.2 | 117.5 | | |
| 158 | A | 51.2 | Low | 51.6 | Low | 87 Ų | 87 | 143.4 Ų | 143.4 | 72% | 0.719 | 76% | 0.762 | S | S | * | * | | | trans | 86.6 | 101.6 | 164.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 159 | T | 50.5 | Low | 51.4 | Low | 129 Ų | 129 | 145.4 Ų | 145.4 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | | | | -166.3 | 76.5 | 117.4 | -57.6 | 0 | 0 | 0 | 0 | 107.6 | S161 | T159-S161 VanDerWaalsContact CG2-CB 3.49Å; T159-S161 PolarHBondContact O-N 3.01Å |
| 160 | G | 53.3 | Low | 52 | Low | 85 Ų | 85 | 151.6 Ų | 151.6 | 88% | 0.876 | 76% | 0.762 | S | S | * | * | | | trans | -75.3 | 38.6 | 161.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | W162 | G160-W162 PolarHBondContact O-N 3.48Š|
| 161 | S | 48.6 | Very low | 51.6 | Low | 73 Ų | 73 | 151.9 Ų | 151.9 | 51% | 0.51 | 76% | 0.763 | S | S | . | * | | | trans | -86.5 | 86 | 176.8 | -172.7 | 0 | 0 | 0 | 0 | 107.8 | T159 S163 | T159-S161 VanDerWaalsContact CG2-CB 3.49Å; T159-S161 PolarHBondContact O-N 3.01Å; S161-S163 PolarHBondContact O-N 3.4Å; S161-S163 PolarHBondContact OG-OG 2.98Å |
| 162 | W | 53.7 | Low | 51.5 | Low | 248 Ų | 248 | 149.7 Ų | 149.7 | 94% | 0.939 | 76% | 0.763 | S | S | * | * | | | trans | -64.3 | 92.2 | 151 | -73.3 | 5.5 | 0 | 0 | 0 | 106.3 | G160 F164 | G160-W162 PolarHBondContact O-N 3.48Å; W162-F164 PolarHBondContact O-N 3.12Å |
| 163 | S | 47.4 | Very low | 51.3 | Low | 99 Ų | 99 | 149.6 Ų | 149.6 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | | | trans | -66.3 | 80 | 170.6 | -56.5 | 0 | 0 | 0 | 0 | 107.7 | S161 S165 | S161-S163 PolarHBondContact O-N 3.4Å; S161-S163 PolarHBondContact OG-OG 2.98Å; S163-S165 PolarHBondContact O-N 3.26Å |
| 164 | F | 44.7 | Very low | 51.1 | Low | 155 Ų | 155 | 146.9 Ų | 146.9 | 68% | 0.68 | 77% | 0.768 | S | S | * | * | | | trans | -68.3 | 83.1 | 164.6 | -173.4 | -105.3 | 0 | 0 | 0 | 107 | W162 K166 | W162-F164 PolarHBondContact O-N 3.12Å; F164-K166 HydrophobicContact CD1-CB 3.85Å; F164-K166 HydrophobicContact CD1-CD 4.29Å; F164-K166 HydrophobicContact CD1-CG 3.85Å; F164-K166 HydrophobicContact CE1-CB 3.6Å; F164-K166 HydrophobicContact CE1-CD 3.28Å; F164-K166 HydrophobicContact CE1-CG 3.32Å; F164-K166 HydrophobicContact CE2-CD 4.12Å; F164-K166 HydrophobicContact CE2-CG 4.12Å; F164-K166 HydrophobicContact CG-CG 4.5Å; F164-K166 HydrophobicContact CZ-CB 4.31Å; F164-K166 HydrophobicContact CZ-CD 3.21Å; F164-K166 HydrophobicContact CZ-CG 3.52Å; F164-K166 PolarHBondContact O-N 3.12Å |
| 165 | S | 50.3 | Low | 50.3 | Low | 104 Ų | 104 | 144.6 Ų | 144.6 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | | | trans | -70.2 | 77.4 | 167.3 | -174.7 | 0 | 0 | 0 | 0 | 108.3 | S163 | S163-S165 PolarHBondContact O-N 3.26Š|
| 166 | K | 49.5 | Very low | 49.8 | Very low | 150 Ų | 150 | 142.6 Ų | 142.6 | 65% | 0.652 | 76% | 0.762 | S | S | * | * | | | trans | -99 | 86.8 | 152.9 | -79.2 | -162.6 | -174 | 168.9 | 0 | 107.2 | F164 R168 | F164-K166 HydrophobicContact CD1-CB 3.85Å; F164-K166 HydrophobicContact CD1-CD 4.29Å; F164-K166 HydrophobicContact CD1-CG 3.85Å; F164-K166 HydrophobicContact CE1-CB 3.6Å; F164-K166 HydrophobicContact CE1-CD 3.28Å; F164-K166 HydrophobicContact CE1-CG 3.32Å; F164-K166 HydrophobicContact CE2-CD 4.12Å; F164-K166 HydrophobicContact CE2-CG 4.12Å; F164-K166 HydrophobicContact CG-CG 4.5Å; F164-K166 HydrophobicContact CZ-CB 4.31Å; F164-K166 HydrophobicContact CZ-CD 3.21Å; F164-K166 HydrophobicContact CZ-CG 3.52Å; F164-K166 PolarHBondContact O-N 3.12Å; K166-R168 VanDerWaalsContact C-N 3.33Å; K166-R168 PolarHBondContact O-N 3.2Å |
| 167 | K | 52.3 | Low | 49.4 | Very low | 189 Ų | 189 | 139.7 Ų | 139.7 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | | | trans | -51.6 | 107 | 147.9 | -71.1 | -85.4 | -175.8 | 174.8 | 0 | 106.1 | P169 | K167-P169 WeakPolarHBondContact O-CD 3.33Š|
| 168 | R | 57.4 | Low | 48.9 | Very low | 189 Ų | 189 | 133.5 Ų | 133.5 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | | | trans | -61.5 | 126.2 | 164.3 | -96.4 | 177.4 | 163 | 170.4 | -1.1 | 107.6 | K166 | K166-R168 VanDerWaalsContact C-N 3.33Å; K166-R168 PolarHBondContact O-N 3.2Å |
| 169 | P | 48.6 | Very low | 48.8 | Very low | 118 Ų | 118 | 139.9 Ų | 139.9 | 77% | 0.766 | 77% | 0.765 | S | S | * | * | | | trans | -80.3 | 107.1 | 142.8 | 10.3 | 8.8 | 0 | 0 | 0 | 106.2 | K167 L171 | K167-P169 WeakPolarHBondContact O-CD 3.33Å; P169-L171 PolarHBondContact O-N 3.3Å; P169-L171 VanDerWaalsContact O-N 3.16Å |
| 170 | R | 57.5 | Low | 48.8 | Very low | 202 Ų | 202 | 140.3 Ų | 140.3 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | | | trans | -74.5 | 86.4 | 154 | -74.1 | -86 | -170.5 | 102.1 | -0.9 | 104.8 | | |
| 171 | L | 44.6 | Very low | 48.6 | Very low | 146 Ų | 146 | 144.1 Ų | 144.1 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | | | trans | -102.7 | 86.8 | 168.5 | -169.1 | 65.6 | 0 | 0 | 0 | 107.2 | P169 | P169-L171 PolarHBondContact O-N 3.3Å; P169-L171 VanDerWaalsContact O-N 3.16Å |
| 172 | G | 52.7 | Low | 48.6 | Very low | 78 Ų | 78 | 146.1 Ų | 146.1 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | | | trans | -148.2 | 63 | 171 | 0 | 0 | 0 | 0 | 0 | 105.8 | | |
| 173 | D | 48.8 | Very low | 48.8 | Very low | 142 Ų | 142 | 140.4 Ų | 140.4 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | | | trans | -174.7 | 94.2 | 161.2 | -169.3 | 25.5 | 0 | 0 | 0 | 108.4 | | |
| 174 | L | 45.8 | Very low | 48.7 | Very low | 162 Ų | 162 | 143.5 Ų | 143.5 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | | | trans | -146.5 | 86.8 | 154.1 | -85.1 | 178.3 | 0 | 0 | 0 | 105.6 | | |
| 175 | G | 38.2 | Very low | 48.7 | Very low | 55 Ų | 55 | 143.5 Ų | 143.5 | 57% | 0.567 | 78% | 0.78 | S | S | * | * | | | trans | -60.9 | 157.6 | 149.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 176 | E | 43.2 | Very low | 48.9 | Very low | 202 Ų | 202 | 142.7 Ų | 142.7 | 94% | 0.944 | 78% | 0.78 | S | S | * | * | | | trans | 55.1 | 117.6 | 157.3 | -83.4 | 176.5 | 98.5 | 0 | 0 | 120.6 | | |
| 177 | G | 41.5 | Very low | 49.3 | Very low | 80 Ų | 80 | 141.6 Ų | 141.6 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | | | | 98.4 | 95 | 121.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 178 | S | 46.4 | Very low | 49.3 | Very low | 111 Ų | 111 | 140.5 Ų | 140.5 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | | | trans | -177.5 | 97.8 | 133.9 | -136.7 | 0 | 0 | 0 | 0 | 107.7 | | |
| 179 | R | 51 | Low | 49.1 | Very low | 221 Ų | 221 | 140.3 Ų | 140.3 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | | | | 62.9 | 118.9 | 97.1 | -66.2 | -168.4 | -172.4 | -156.1 | 1.9 | 114.4 | | |
| 180 | D | 49.5 | Very low | 49.3 | Very low | 137 Ų | 137 | 138.4 Ų | 138.4 | 73% | 0.733 | 80% | 0.8 | S | S | * | * | | | trans | 65.7 | 122.3 | 151.3 | -54.1 | -31.9 | 0 | 0 | 0 | 115.4 | | |
| 181 | L | 48.3 | Very low | 48.9 | Very low | 165 Ų | 165 | 133.2 Ų | 133.2 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | | | | -154.9 | 124.2 | 60.7 | -70.6 | 160.8 | 0 | 0 | 0 | 111 | | |
| 182 | S | 50.1 | Low | 49 | Very low | 116 Ų | 116 | 141.7 Ų | 141.7 | 81% | 0.811 | 82% | 0.822 | S | S | * | * | | | trans | -63.5 | 149.7 | 152.8 | -63.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 183 | P | 56.3 | Low | 48.8 | Very low | 127 Ų | 127 | 144.9 Ų | 144.9 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | | | | -121.7 | 127.9 | 126.1 | 25.4 | -12.5 | 0 | 0 | 0 | 110.9 | | |
| 184 | E | 45.8 | Very low | 48.8 | Very low | 164 Ų | 164 | 145 Ų | 145 | 77% | 0.766 | 83% | 0.826 | S | S | * | * | | | trans | -56.8 | 167.5 | 164.1 | -170.1 | -156 | 133.1 | 0 | 0 | 112.4 | | |
| 185 | L | 45.8 | Very low | 48.9 | Very low | 155 Ų | 155 | 144.1 Ų | 144.1 | 81% | 0.812 | 83% | 0.825 | S | S | * | * | | | trans | 105.1 | 118.7 | 169.7 | -54.6 | 175 | 0 | 0 | 0 | 112.6 | | |
| 186 | A | 54.3 | Low | 49.6 | Very low | 88 Ų | 88 | 149.3 Ų | 149.3 | 73% | 0.727 | 84% | 0.84 | S | S | * | * | | | cis | -157.7 | 170 | 19.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 187 | P | 57.5 | Low | 50 | Low | 127 Ų | 127 | 146 Ų | 146 | 83% | 0.825 | 83% | 0.833 | S | S | * | * | | | trans | -82.9 | 137.8 | 176.8 | 33.9 | -28.3 | 0 | 0 | 0 | 110 | | |
| 188 | D | 51.2 | Low | 50.5 | Low | 165 Ų | 165 | 150.4 Ų | 150.4 | 88% | 0.882 | 83% | 0.834 | S | S | * | * | | | trans | -128.2 | 123.1 | 158.6 | -165.1 | 31.7 | 0 | 0 | 0 | 109 | | |
| 189 | E | 54.5 | Low | 50.8 | Low | 186 Ų | 186 | 153.2 Ų | 153.2 | 87% | 0.869 | 84% | 0.838 | S | S | * | * | | | trans | -71.4 | 146.9 | -177.3 | -62.9 | -166.9 | 115.3 | 0 | 0 | 110.4 | | |
| 190 | G | 51.6 | Low | 50.8 | Low | 78 Ų | 78 | 148 Ų | 148 | 80% | 0.804 | 84% | 0.839 | S | S | * | * | | | trans | 139.4 | 80.3 | 158 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 191 | A | 50.1 | Low | 50.9 | Low | 92 Ų | 92 | 148.9 Ų | 148.9 | 76% | 0.76 | 85% | 0.847 | S | S | * | * | | | | -176.4 | 115.4 | 129.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 192 | R | 45.8 | Very low | 51.2 | Low | 324 Ų | 324 | 147.5 Ų | 147.5 | 100% | 1.223 | 85% | 0.846 | S | S | * | * | | | trans | 92.1 | 0 | 160.9 | -56.8 | -177.2 | 179.1 | -164.4 | -0.7 | 117.4 | | |