| 1 | M | 41.2 | Very low | 58.8 | Low | 236 Ų | 236 | 176.3 Ų | 176.3 | 100% | 1.163 | 82% | 0.822 | S | S | * | * | | | | 0 | 89.2 | 0 | -66.4 | 179.6 | -157.6 | 0 | 0 | 105.5 | | |
| 2 | E | 48.6 | Very low | 58.9 | Low | 154 Ų | 154 | 172.5 Ų | 172.5 | 72% | 0.72 | 82% | 0.824 | S | S | * | * | | | | 104.8 | 94.3 | 96.5 | -84.1 | -160.2 | 131.3 | 0 | 0 | 109.7 | R4 | E2-R4 IonicContact OE1-CZ 2.86Å; E2-R4 IonicContact OE1-NH2 3.68Å; E2-R4 PolarHBondContact OE1-NH2 3.3Å |
| 3 | E | 54.5 | Low | 58.9 | Low | 184 Ų | 184 | 170.2 Ų | 170.2 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | | | trans | -53 | 140.2 | 150.5 | -60.2 | 172.8 | 144.1 | 0 | 0 | 109.8 | | |
| 4 | R | 68.3 | Low | 58.9 | Low | 202 Ų | 202 | 163.5 Ų | 163.5 | 76% | 0.762 | 82% | 0.815 | S | S | * | * | | | trans | 161.6 | 126.5 | 161.7 | -96.4 | 176.5 | -102 | -154.2 | 7.6 | 106 | E2 | E2-R4 IonicContact OE1-CZ 2.86Å; E2-R4 IonicContact OE1-NH2 3.68Å; E2-R4 PolarHBondContact OE1-NH2 3.3Å |
| 5 | M | 59.7 | Low | 59.2 | Low | 162 Ų | 162 | 166.9 Ų | 166.9 | 80% | 0.798 | 82% | 0.823 | S | S | * | * | | | cis | -159.4 | 136.6 | 28.2 | -64.7 | -158.1 | -80.4 | 0 | 0 | 110.8 | | |
| 6 | L | 59.4 | Low | 59.6 | Low | 175 Ų | 175 | 163 Ų | 163 | 92% | 0.916 | 83% | 0.825 | S | S | * | * | | | trans | -80.3 | 130.1 | 151.4 | -85.5 | 144.8 | 0 | 0 | 0 | 108.3 | | |
| 7 | K | 65.8 | Low | 60.4 | Low | 185 Ų | 185 | 165.9 Ų | 165.9 | 80% | 0.804 | 83% | 0.831 | S | S | * | * | | | trans | -170.6 | 153.5 | 159.7 | -109 | 160.6 | -174.2 | -177 | 0 | 111.8 | | |
| 8 | E | 61.2 | Low | 60.7 | Low | 177 Ų | 177 | 168.1 Ų | 168.1 | 83% | 0.827 | 84% | 0.835 | S | S | * | * | | | trans | 83.2 | 96.3 | -173.5 | -58.1 | -171.1 | 156.8 | 0 | 0 | 112.7 | | |
| 9 | F | 56.8 | Low | 61.3 | Low | 181 Ų | 181 | 170 Ų | 170 | 79% | 0.794 | 84% | 0.837 | S | S | * | * | | | cis | 59.6 | 81.3 | 34.6 | -130 | -79.7 | 0 | 0 | 0 | 114.2 | E11 | F9-E11 HydrophobicContact CE1-CG 3.91Š|
| 10 | I | 64.8 | Low | 61.7 | Low | 157 Ų | 157 | 172 Ų | 172 | 81% | 0.805 | 84% | 0.841 | S | S | * | * | | | trans | -134.8 | 105.3 | 157.9 | -58.3 | -180 | 0 | 0 | 0 | 107.7 | | |
| 11 | E | 66.3 | Low | 61.9 | Low | 126 Ų | 126 | 169.5 Ų | 169.5 | 59% | 0.589 | 84% | 0.839 | S | S | * | * | | | trans | -68.4 | 148.1 | 172 | -76.2 | 178.8 | 139.2 | 0 | 0 | 111.9 | F9 I13 | F9-E11 HydrophobicContact CE1-CG 3.91Å; E11-I13 HydrophobicContact CB-CG1 4.42Å |
| 12 | P | 60.5 | Low | 62.9 | Low | 131 Ų | 131 | 169 Ų | 169 | 85% | 0.851 | 83% | 0.825 | S | S | * | * | | | trans | -96.7 | 109.4 | 163.9 | 33.4 | -24.6 | 0 | 0 | 0 | 110.5 | | |
| 13 | I | 58.8 | Low | 63.9 | Low | 142 Ų | 142 | 167.9 Ų | 167.9 | 73% | 0.728 | 83% | 0.829 | S | S | * | * | | | trans | -121.5 | 109.6 | 170.1 | -56.3 | 176.3 | 0 | 0 | 0 | 109.2 | E11 | E11-I13 HydrophobicContact CB-CG1 4.42Š|
| 14 | G | 58.6 | Low | 64.7 | Low | 77 Ų | 77 | 166.1 Ų | 166.1 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | | | trans | -161.6 | 89 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 15 | K | 63.5 | Low | 64.8 | Low | 215 Ų | 215 | 162.1 Ų | 162.1 | 94% | 0.935 | 82% | 0.82 | S | S | * | * | | | trans | -88.5 | 126.7 | 169.2 | -59.7 | -147.7 | 179.5 | -171.2 | 0 | 109.6 | | |
| 16 | A | 66.3 | Low | 65 | Low | 104 Ų | 104 | 162.7 Ų | 162.7 | 86% | 0.86 | 83% | 0.826 | S | S | * | * | | | trans | -136.1 | 140.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 17 | K | 72.8 | Confident | 64.9 | Low | 213 Ų | 213 | 162.2 Ų | 162.2 | 93% | 0.926 | 83% | 0.825 | S | S | * | * | | | trans | -86.1 | 154.1 | -158.3 | -66.1 | -176.9 | 173.4 | 178 | 0 | 114.3 | | |
| 18 | K | 64.8 | Low | 64.6 | Low | 205 Ų | 205 | 156.5 Ų | 156.5 | 89% | 0.891 | 82% | 0.818 | S | S | * | * | | | trans | -55.2 | 138.5 | 170.4 | -66.1 | -179.4 | 174.4 | 178.8 | 0 | 112.9 | | |
| 19 | K | 73.6 | Confident | 64.3 | Low | 204 Ų | 204 | 155.9 Ų | 155.9 | 89% | 0.887 | 82% | 0.82 | S | S | * | * | | | trans | -117.8 | 127.9 | 152.9 | -76.8 | -169 | 176 | -179.7 | 0 | 109.5 | | |
| 20 | K | 68.6 | Low | 64.3 | Low | 209 Ų | 209 | 152 Ų | 152 | 91% | 0.909 | 82% | 0.821 | S | S | * | * | | | trans | -85.1 | 127.1 | 170.4 | -71.9 | 178 | 176.1 | 178.9 | 0 | 108.1 | | |
| 21 | C | 65.1 | Low | 64.1 | Low | 120 Ų | 120 | 152.9 Ų | 152.9 | 81% | 0.811 | 83% | 0.827 | S | S | * | * | | | trans | -119.6 | 113 | 160.4 | -71.1 | 0 | 0 | 0 | 0 | 108.3 | | |
| 22 | R | 64 | Low | 63.8 | Low | 225 Ų | 225 | 154.2 Ų | 154.2 | 85% | 0.849 | 83% | 0.833 | S | S | * | * | | | trans | -96.4 | 114.7 | 171.3 | 176 | -177.3 | -174.8 | 173.5 | 1.4 | 105.9 | | |
| 23 | T | 68 | Low | 63.7 | Low | 131 Ų | 131 | 151.2 Ų | 151.2 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | | | trans | -121.5 | 122 | 170.9 | -44.9 | 0 | 0 | 0 | 0 | 107.6 | | |
| 24 | Q | 72.5 | Confident | 64.2 | Low | 147 Ų | 147 | 152.3 Ų | 152.3 | 69% | 0.687 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 152.2 | 179.7 | -63.9 | -167.1 | -6.2 | 0 | 0 | 111.1 | | |
| 25 | P | 69.2 | Low | 64.6 | Low | 118 Ų | 118 | 160.3 Ų | 160.3 | 77% | 0.766 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 127.1 | 164.2 | 29.9 | -29.6 | 0 | 0 | 0 | 109.7 | | |
| 26 | L | 64.4 | Low | 64.9 | Low | 174 Ų | 174 | 156 Ų | 156 | 91% | 0.911 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 135.1 | 170.1 | -80.9 | 160.7 | 0 | 0 | 0 | 109.5 | | |
| 27 | N | 58.2 | Low | 65 | Low | 166 Ų | 166 | 161 Ų | 161 | 89% | 0.888 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 163.9 | -177.9 | -57.3 | -55.7 | 0 | 0 | 0 | 113.7 | | |
| 28 | G | 57.8 | Low | 64.9 | Low | 64 Ų | 64 | 156.4 Ų | 156.4 | 66% | 0.66 | 82% | 0.816 | S | S | * | * | | | trans | 130.6 | 126.1 | 162 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 29 | D | 55.3 | Low | 65.2 | Low | 165 Ų | 165 | 156.5 Ų | 156.5 | 88% | 0.882 | 82% | 0.816 | S | S | * | * | | | cis | -152.6 | 147.5 | 9 | -85.8 | -44 | 0 | 0 | 0 | 108.9 | | |
| 30 | A | 56.8 | Low | 65.1 | Low | 99 Ų | 99 | 156 Ų | 156 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | | | trans | -75.3 | 127.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 31 | L | 61.8 | Low | 65.2 | Low | 175 Ų | 175 | 156.2 Ų | 156.2 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | | | trans | -134.8 | 100.8 | 158.4 | -135.9 | 108.4 | 0 | 0 | 0 | 110.4 | G33 | L31-G33 PolarHBondContact O-N 2.86Š|
| 32 | E | 58.3 | Low | 65.4 | Low | 154 Ų | 154 | 160 Ų | 160 | 72% | 0.72 | 82% | 0.818 | S | S | * | * | | | trans | -77.5 | 96.3 | 176.7 | -160 | -173.9 | 179.8 | 0 | 0 | 109.3 | K34 | E32-K34 PolarHBondContact O-N 3.24Å; E32-K34 WeakPolarHBondContact OE1-CE 2.93Å; E32-K34 IonicContact OE1-NZ 2.75Å; E32-K34 PolarHBondContact OE1-NZ 3.09Å |
| 33 | G | 59.2 | Low | 65.8 | Low | 68 Ų | 68 | 158.6 Ų | 158.6 | 70% | 0.701 | 82% | 0.818 | S | S | * | * | | | trans | -88.4 | 81.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | L31 R35 | L31-G33 PolarHBondContact O-N 2.86Å; G33-R35 PolarHBondContact O-N 3.36Å; G33-R35 VanDerWaalsContact O-N 3.09Å |
| 34 | K | 70 | Confident | 65.7 | Low | 166 Ų | 166 | 159.9 Ų | 159.9 | 72% | 0.722 | 82% | 0.818 | S | S | * | * | | | trans | -64.9 | 104.6 | 167.4 | -58.8 | -88.7 | 177.6 | -170.2 | 0 | 108.8 | E32 | E32-K34 PolarHBondContact O-N 3.24Å; E32-K34 WeakPolarHBondContact OE1-CE 2.93Å; E32-K34 IonicContact OE1-NZ 2.75Å; E32-K34 PolarHBondContact OE1-NZ 3.09Å |
| 35 | R | 66 | Low | 65.3 | Low | 244 Ų | 244 | 158.2 Ų | 158.2 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | | | trans | -103.4 | 116.9 | 166.6 | -71.1 | -177.8 | 93.6 | 176.5 | 6.3 | 110.4 | G33 | G33-R35 PolarHBondContact O-N 3.36Å; G33-R35 VanDerWaalsContact O-N 3.09Å |
| 36 | T | 71.3 | Confident | 64.7 | Low | 125 Ų | 125 | 156.8 Ų | 156.8 | 77% | 0.767 | 82% | 0.816 | S | S | * | * | | | trans | -63 | 139.1 | -179.3 | 48.1 | 0 | 0 | 0 | 0 | 112.8 | T38 | T36-T38 PolarHBondContact O-N 3.22Š|
| 37 | K | 67 | Low | 64.5 | Low | 208 Ų | 208 | 156.2 Ų | 156.2 | 90% | 0.904 | 81% | 0.813 | S | S | * | * | | | trans | -71.4 | 111.4 | 174.4 | -65.5 | 178.3 | 178.5 | 177.3 | 0 | 110.8 | | |
| 38 | T | 70.5 | Confident | 64.2 | Low | 118 Ų | 118 | 152.4 Ų | 152.4 | 72% | 0.724 | 80% | 0.8 | S | S | * | * | | | trans | -94.9 | 112.3 | 161.4 | 53.5 | 0 | 0 | 0 | 0 | 109.7 | T36 K40 | T36-T38 PolarHBondContact O-N 3.22Å; T38-K40 PolarHBondContact O-N 3.23Å |
| 39 | K | 70.8 | Confident | 63.8 | Low | 206 Ų | 206 | 155.3 Ų | 155.3 | 90% | 0.896 | 81% | 0.807 | S | S | * | * | | | trans | -71.8 | 104.3 | 169.3 | -66.3 | -176.9 | 179.2 | 179.4 | 0 | 108.6 | | |
| 40 | K | 72.7 | Confident | 63.4 | Low | 194 Ų | 194 | 154.4 Ų | 154.4 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | | | trans | -100.3 | 111.2 | 162.5 | -74.6 | -171.3 | 177.8 | -179.1 | 0 | 108.7 | T38 K42 | T38-K40 PolarHBondContact O-N 3.23Å; K40-K42 PolarHBondContact O-N 3.2Å |
| 41 | K | 71.4 | Confident | 62.5 | Low | 214 Ų | 214 | 156 Ų | 156 | 93% | 0.93 | 81% | 0.806 | S | S | * | * | | | trans | -66.4 | 107.5 | 167 | -74 | 177.6 | 174.3 | 178.3 | 0 | 107.6 | | |
| 42 | K | 69 | Low | 61.5 | Low | 199 Ų | 199 | 150.8 Ų | 150.8 | 87% | 0.865 | 79% | 0.794 | S | S | * | * | | | trans | -96.7 | 116.3 | 165.6 | -156 | 173.9 | -175.3 | -178.4 | 0 | 107.3 | K40 I44 | K40-K42 PolarHBondContact O-N 3.2Å; K42-I44 PolarHBondContact O-N 3.3Å |
| 43 | K | 72.1 | Confident | 60.9 | Low | 196 Ų | 196 | 148.1 Ų | 148.1 | 85% | 0.852 | 80% | 0.798 | S | S | * | * | | | trans | -61.7 | 110.8 | 176.4 | -164.4 | 176.5 | -177 | -176.9 | 0 | 107.4 | V45 | K43-V45 PolarHBondContact O-N 3.25Š|
| 44 | I | 66.2 | Low | 60.6 | Low | 157 Ų | 157 | 153.6 Ų | 153.6 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | | | trans | -73.6 | 111.9 | 169.5 | -62 | 171.5 | 0 | 0 | 0 | 105.2 | K42 A46 | K42-I44 PolarHBondContact O-N 3.3Å; I44-A46 PolarHBondContact O-N 2.94Å |
| 45 | V | 63.7 | Low | 59.8 | Low | 112 Ų | 112 | 156.2 Ų | 156.2 | 68% | 0.679 | 81% | 0.811 | S | S | * | * | | | trans | -66 | 113.8 | 160.8 | 162.1 | 0 | 0 | 0 | 0 | 105.3 | K43 L47 | K43-V45 PolarHBondContact O-N 3.25Å; V45-L47 PolarHBondContact O-N 3.17Å; V45-L47 VanDerWaalsContact O-N 3.17Å |
| 46 | A | 57.3 | Low | 59.3 | Low | 89 Ų | 89 | 150.8 Ų | 150.8 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | | | trans | -62.1 | 111.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | I44 | I44-A46 PolarHBondContact O-N 2.94Š|
| 47 | L | 58.2 | Low | 58.8 | Low | 162 Ų | 162 | 152.2 Ų | 152.2 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | | | trans | -90.5 | 117.7 | 161.4 | -73.1 | 168.8 | 0 | 0 | 0 | 106.3 | V45 | V45-L47 PolarHBondContact O-N 3.17Å; V45-L47 VanDerWaalsContact O-N 3.17Å |
| 48 | S | 53.6 | Low | 58.6 | Low | 86 Ų | 86 | 148.3 Ų | 148.3 | 60% | 0.601 | 80% | 0.8 | S | S | * | * | | | trans | -50.9 | 148 | 178.7 | -59.7 | 0 | 0 | 0 | 0 | 112.3 | D50 | S48-D50 PolarHBondContact O-N 2.88Š|
| 49 | P | 48.4 | Very low | 58 | Low | 125 Ų | 125 | 150.6 Ų | 150.6 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | | | trans | -80.5 | 70.7 | 167.1 | 35.7 | -30.1 | 0 | 0 | 0 | 108 | C51 | P49-C51 PolarHBondContact O-N 3.4Å; P49-C51 VanDerWaalsContact O-N 3.16Å |
| 50 | D | 47.5 | Very low | 57.1 | Low | 145 Ų | 145 | 144.4 Ų | 144.4 | 78% | 0.775 | 80% | 0.797 | S | S | * | * | | | trans | -81.6 | 98.6 | 169.8 | -85.5 | -35.7 | 0 | 0 | 0 | 108.8 | S48 G52 | S48-D50 PolarHBondContact O-N 2.88Å; D50-G52 PolarHBondContact O-N 3.4Å; D50-G52 VanDerWaalsContact O-N 3.14Å |
| 51 | C | 36.6 | Very low | 56.3 | Low | 134 Ų | 134 | 143.2 Ų | 143.2 | 91% | 0.905 | 79% | 0.794 | S | S | * | * | | | trans | -32.2 | 110.7 | 155.7 | -73.6 | 0 | 0 | 0 | 0 | 111.5 | P49 | P49-C51 PolarHBondContact O-N 3.4Å; P49-C51 VanDerWaalsContact O-N 3.16Å |
| 52 | G | 42.6 | Very low | 55.7 | Low | 64 Ų | 64 | 142.4 Ų | 142.4 | 66% | 0.66 | 79% | 0.791 | S | S | * | * | | | trans | -145.7 | 101.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | D50 E54 | D50-G52 PolarHBondContact O-N 3.4Å; D50-G52 VanDerWaalsContact O-N 3.14Å; G52-E54 PolarHBondContact O-N 2.99Å |
| 53 | A | 45.8 | Very low | 55.2 | Low | 99 Ų | 99 | 141 Ų | 141 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | -65.8 | 75.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | R55 | A53-R55 PolarHBondContact O-N 2.99Š|
| 54 | E | 52.2 | Low | 54.5 | Low | 182 Ų | 182 | 137.7 Ų | 137.7 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | | | trans | -91.7 | 92.3 | 176.1 | -118.1 | 173.5 | -178.1 | 0 | 0 | 109.5 | G52 V56 | G52-E54 PolarHBondContact O-N 2.99Å; E54-V56 PolarHBondContact O-N 3.16Å; E54-V56 VanDerWaalsContact O-N 3.08Å |
| 55 | R | 52.6 | Low | 54.1 | Low | 221 Ų | 221 | 135.5 Ų | 135.5 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | | | trans | -52.7 | 106.6 | 168.3 | -62.7 | 164.9 | -175.4 | -99.4 | -1.1 | 108.1 | A53 L57 | A53-R55 PolarHBondContact O-N 2.99Å; R55-L57 PolarHBondContact O-N 2.95Å |
| 56 | V | 56 | Low | 53.7 | Low | 130 Ų | 130 | 138.3 Ų | 138.3 | 79% | 0.788 | 79% | 0.792 | S | S | * | * | | | trans | -69.6 | 91.4 | 164.6 | -177 | 0 | 0 | 0 | 0 | 106.7 | E54 V58 | E54-V56 PolarHBondContact O-N 3.16Å; E54-V56 VanDerWaalsContact O-N 3.08Å; V56-V58 VanDerWaalsContact C-N 3.28Å; V56-V58 HydrophobicContact CG1-CG2 3.89Å; V56-V58 PolarHBondContact O-N 3.14Å |
| 57 | L | 61.5 | Low | 53.6 | Low | 156 Ų | 156 | 144.6 Ų | 144.6 | 82% | 0.817 | 80% | 0.797 | S | S | * | * | | | trans | -68.4 | 92 | 163.1 | -75.3 | 165.2 | 0 | 0 | 0 | 106.6 | R55 E59 | R55-L57 PolarHBondContact O-N 2.95Å; L57-E59 PolarHBondContact O-N 3.48Å |
| 58 | V | 61.1 | Low | 53.7 | Low | 125 Ų | 125 | 142.3 Ų | 142.3 | 76% | 0.758 | 79% | 0.789 | S | S | * | * | | | trans | -69.3 | 108.4 | 163.2 | 179 | 0 | 0 | 0 | 0 | 105.9 | V56 G60 | V56-V58 VanDerWaalsContact C-N 3.28Å; V56-V58 HydrophobicContact CG1-CG2 3.89Å; V56-V58 PolarHBondContact O-N 3.14Å; V58-G60 PolarHBondContact O-N 3.36Å |
| 59 | E | 59.1 | Low | 53.9 | Low | 167 Ų | 167 | 144.6 Ų | 144.6 | 78% | 0.78 | 80% | 0.795 | S | S | * | * | | | trans | -52.3 | 111.5 | 170.5 | -79.7 | -172.4 | 136.9 | 0 | 0 | 108.9 | L57 E61 | L57-E59 PolarHBondContact O-N 3.48Å; E59-E61 PolarHBondContact O-N 3.08Å |
| 60 | G | 50.9 | Low | 54.3 | Low | 75 Ų | 75 | 149.7 Ų | 149.7 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | | | trans | -70 | 83.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | V58 K62 | V58-G60 PolarHBondContact O-N 3.36Å; G60-K62 PolarHBondContact O-N 2.78Å |
| 61 | E | 56 | Low | 54.8 | Low | 169 Ų | 169 | 150.9 Ų | 150.9 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | | | trans | -60.5 | 122.5 | 169.6 | -73.7 | -165.8 | 135.7 | 0 | 0 | 109.2 | E59 L63 | E59-E61 PolarHBondContact O-N 3.08Å; E61-L63 PolarHBondContact O-N 3.16Å |
| 62 | K | 58.6 | Low | 55.8 | Low | 198 Ų | 198 | 151.9 Ų | 151.9 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | | | trans | -59.1 | 98.1 | -177 | -69.7 | 169.8 | 174.6 | 177.7 | 0 | 110.7 | G60 V64 | G60-K62 PolarHBondContact O-N 2.78Å; K62-V64 PolarHBondContact O-N 3.47Å; K62-V64 VanDerWaalsContact O-N 3.07Å |
| 63 | L | 59.4 | Low | 56.5 | Low | 168 Ų | 168 | 157.6 Ų | 157.6 | 88% | 0.88 | 80% | 0.804 | S | S | * | * | | | trans | -74.8 | 97.1 | 158.7 | -74.2 | 171.7 | 0 | 0 | 0 | 108.3 | E61 S65 | E61-L63 PolarHBondContact O-N 3.16Å; L63-S65 PolarHBondContact O-N 3.37Å; L63-S65 VanDerWaalsContact O-N 3.16Å |
| 64 | V | 57.7 | Low | 56.8 | Low | 127 Ų | 127 | 155.2 Ų | 155.2 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | | | trans | -55.7 | 112.3 | 165.6 | 170.6 | 0 | 0 | 0 | 0 | 107.5 | K62 Q66 | K62-V64 PolarHBondContact O-N 3.47Å; K62-V64 VanDerWaalsContact O-N 3.07Å; V64-Q66 VanDerWaalsContact C-N 3.34Å; V64-Q66 PolarHBondContact O-N 3.27Å |
| 65 | S | 57.4 | Low | 57.4 | Low | 111 Ų | 111 | 152.2 Ų | 152.2 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | | | trans | -57.6 | 96.9 | 171.1 | -58.3 | 0 | 0 | 0 | 0 | 109.4 | L63 R67 | L63-S65 PolarHBondContact O-N 3.37Å; L63-S65 VanDerWaalsContact O-N 3.16Å; S65-R67 PolarHBondContact O-N 3.35Å; S65-R67 VanDerWaalsContact O-N 3.14Å |
| 66 | Q | 55 | Low | 57.8 | Low | 172 Ų | 172 | 148.3 Ų | 148.3 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | trans | -68 | 108.7 | 167 | -168.4 | 170.2 | 55.2 | 0 | 0 | 106.7 | V64 V68 | V64-Q66 VanDerWaalsContact C-N 3.34Å; V64-Q66 PolarHBondContact O-N 3.27Å; Q66-V68 PolarHBondContact O-N 3.12Å; Q66-V68 VanDerWaalsContact O-N 3.1Å |
| 67 | R | 55.3 | Low | 58.2 | Low | 220 Ų | 220 | 146.9 Ų | 146.9 | 83% | 0.83 | 77% | 0.77 | S | S | * | * | | | trans | -61.6 | 111.1 | 172.9 | -65 | 179.9 | -179.5 | -151.8 | -0.8 | 107.1 | S65 D69 | S65-R67 PolarHBondContact O-N 3.35Å; S65-R67 VanDerWaalsContact O-N 3.14Å; R67-D69 PolarHBondContact O-N 2.82Å |
| 68 | V | 60.8 | Low | 58.4 | Low | 114 Ų | 114 | 146.2 Ų | 146.2 | 69% | 0.691 | 77% | 0.767 | S | S | * | * | | | trans | -81.8 | 95.5 | 166.7 | 178.7 | 0 | 0 | 0 | 0 | 105.4 | Q66 R70 | Q66-V68 PolarHBondContact O-N 3.12Å; Q66-V68 VanDerWaalsContact O-N 3.1Å; V68-R70 VanDerWaalsContact C-N 3.28Å; V68-R70 HydrophobicContact CG1-CG 4.24Å; V68-R70 PolarHBondContact O-N 3.18Å |
| 69 | D | 58.2 | Low | 58.6 | Low | 134 Ų | 134 | 147.2 Ų | 147.2 | 72% | 0.717 | 77% | 0.767 | S | S | * | * | | | trans | -61.2 | 96.7 | 164.2 | -69.8 | -36.6 | 0 | 0 | 0 | 106.8 | R67 E71 | R67-D69 PolarHBondContact O-N 2.82Å; D69-E71 PolarHBondContact O-N 2.87Å |
| 70 | R | 55.4 | Low | 58.8 | Low | 232 Ų | 232 | 144.9 Ų | 144.9 | 88% | 0.875 | 77% | 0.767 | S | S | * | * | | | trans | -73.4 | 81.8 | 165.6 | -75.4 | -171.2 | -175.5 | -172.7 | 1.9 | 106.4 | V68 D72 | V68-R70 VanDerWaalsContact C-N 3.28Å; V68-R70 HydrophobicContact CG1-CG 4.24Å; V68-R70 PolarHBondContact O-N 3.18Å; R70-D72 PolarHBondContact O-N 3.31Å |
| 71 | E | 57.7 | Low | 59 | Low | 171 Ų | 171 | 150.1 Ų | 150.1 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | | | trans | -57.5 | 91.1 | 159.6 | -79.9 | 175.7 | 150.4 | 0 | 0 | 107.9 | D69 Q73 | D69-E71 PolarHBondContact O-N 2.87Å; E71-Q73 VanDerWaalsContact C-N 3.33Å; E71-Q73 PolarHBondContact O-N 3.46Å |
| 72 | D | 59.4 | Low | 58.7 | Low | 155 Ų | 155 | 150.4 Ų | 150.4 | 83% | 0.829 | 77% | 0.772 | S | S | * | * | | | trans | 22.8 | 65.2 | 132.9 | -141.5 | 8.3 | 0 | 0 | 0 | 115.3 | R70 G74 | R70-D72 PolarHBondContact O-N 3.31Å; D72-G74 PolarHBondContact O-N 3.39Å |
| 73 | Q | 55.6 | Low | 58.6 | Low | 183 Ų | 183 | 147.3 Ų | 147.3 | 86% | 0.855 | 77% | 0.765 | S | S | * | * | | | trans | -78.9 | 62.5 | 160.1 | -67.2 | -155.9 | 26.7 | 0 | 0 | 108.9 | E71 V75 | E71-Q73 VanDerWaalsContact C-N 3.33Å; E71-Q73 PolarHBondContact O-N 3.46Å; Q73-V75 VanDerWaalsContact C-N 3.32Å; Q73-V75 PolarHBondContact O-N 2.76Å |
| 74 | G | 53 | Low | 58.3 | Low | 50 Ų | 50 | 148.8 Ų | 148.8 | 52% | 0.515 | 76% | 0.764 | S | S | . | * | | | trans | -63.1 | 98 | 160.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | D72 I76 | D72-G74 PolarHBondContact O-N 3.39Å; G74-I76 PolarHBondContact O-N 3.44Å |
| 75 | V | 65.4 | Low | 58.4 | Low | 119 Ų | 119 | 146.1 Ų | 146.1 | 72% | 0.721 | 76% | 0.763 | S | S | * | * | | | trans | -58.1 | 101.4 | 173.7 | -178.4 | 0 | 0 | 0 | 0 | 107.5 | Q73 T77 | Q73-V75 VanDerWaalsContact C-N 3.32Å; Q73-V75 PolarHBondContact O-N 2.76Å; V75-T77 VanDerWaalsContact C-N 3.25Å; V75-T77 HydrophobicContact CG1-CG2 3.76Å; V75-T77 PolarHBondContact O-N 3.04Å |
| 76 | I | 60.8 | Low | 58.7 | Low | 138 Ų | 138 | 152.5 Ų | 152.5 | 71% | 0.708 | 77% | 0.77 | S | S | * | * | | | trans | -70.6 | 88.1 | 171.6 | -58.2 | 174.4 | 0 | 0 | 0 | 106.8 | G74 N78 | G74-I76 PolarHBondContact O-N 3.44Å; I76-N78 PolarHBondContact O-N 2.89Å |
| 77 | T | 63.8 | Low | 58.8 | Low | 100 Ų | 100 | 154.1 Ų | 154.1 | 61% | 0.613 | 78% | 0.775 | S | S | * | * | | | trans | -76.5 | 82.1 | 168.3 | 53.3 | 0 | 0 | 0 | 0 | 108.9 | V75 L79 | V75-T77 VanDerWaalsContact C-N 3.25Å; V75-T77 HydrophobicContact CG1-CG2 3.76Å; V75-T77 PolarHBondContact O-N 3.04Å; T77-L79 PolarHBondContact O-N 3.29Å |
| 78 | N | 65.2 | Low | 59.2 | Low | 143 Ų | 143 | 155.2 Ų | 155.2 | 77% | 0.765 | 78% | 0.779 | S | S | * | * | | | trans | -70.8 | 79.6 | 160.3 | -74.3 | -35.1 | 0 | 0 | 0 | 108 | I76 P80 | I76-N78 PolarHBondContact O-N 2.89Å; N78-P80 WeakPolarHBondContact O-CD 3.41Å |
| 79 | L | 66.6 | Low | 59.3 | Low | 146 Ų | 146 | 158.8 Ų | 158.8 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | | | trans | -81.8 | 117.9 | 169.6 | -84.2 | 145.9 | 0 | 0 | 0 | 108 | T77 E81 | T77-L79 PolarHBondContact O-N 3.29Å; L79-E81 PolarHBondContact O-N 3.34Å |
| 80 | P | 61.6 | Low | 59.4 | Low | 118 Ų | 118 | 156.8 Ų | 156.8 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | | | trans | -64.6 | 133.3 | 173.6 | 25.1 | -30.8 | 0 | 0 | 0 | 110.1 | N78 | N78-P80 WeakPolarHBondContact O-CD 3.41Š|
| 81 | E | 56.3 | Low | 59.4 | Low | 185 Ų | 185 | 150 Ų | 150 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | | | trans | -43.8 | 133.5 | 169.2 | -94.1 | 169.4 | 148 | 0 | 0 | 112.2 | L79 | L79-E81 PolarHBondContact O-N 3.34Š|
| 82 | E | 49 | Very low | 59.7 | Low | 174 Ų | 174 | 145.9 Ų | 145.9 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | | | trans | 28.2 | 112.4 | 149.3 | -64.6 | -170.5 | 137.1 | 0 | 0 | 119.2 | | |
| 83 | N | 57.6 | Low | 59.6 | Low | 134 Ų | 134 | 143.9 Ų | 143.9 | 72% | 0.717 | 77% | 0.772 | S | S | * | * | | | | -171.9 | 114.3 | 117.7 | -114.3 | -60.2 | 0 | 0 | 0 | 113.7 | | |
| 84 | K | 53.6 | Low | 59.7 | Low | 198 Ų | 198 | 143.1 Ų | 143.1 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | | | trans | 39.2 | 98 | 136.4 | -59.2 | 178.5 | -168.9 | 174.8 | 0 | 117.2 | | |
| 85 | G | 58.7 | Low | 60 | Low | 72 Ų | 72 | 148.7 Ų | 148.7 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | | | trans | -164.2 | 91.7 | 171 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 86 | R | 63.4 | Low | 59.5 | Low | 244 Ų | 244 | 149.5 Ų | 149.5 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | | | trans | 70.2 | 107.9 | 150.7 | -76.8 | 179.5 | -94.1 | -164.5 | -6.4 | 119.5 | R88 | R86-R88 PolarHBondContact O-N 3.33Š|
| 87 | K | 57.2 | Low | 59.2 | Low | 207 Ų | 207 | 146.1 Ų | 146.1 | 90% | 0.9 | 79% | 0.786 | S | S | * | * | | | trans | -24.6 | 114.3 | 146.5 | -88.6 | 177.3 | 164.8 | -175.4 | 0 | 112.6 | | |
| 88 | R | 64.9 | Low | 58.7 | Low | 243 Ų | 243 | 146.4 Ų | 146.4 | 92% | 0.917 | 79% | 0.788 | S | S | * | * | | | trans | -118.2 | 102.8 | 147.1 | -83.3 | -173.7 | 174.2 | 176.3 | -1.1 | 106.9 | R86 A90 | R86-R88 PolarHBondContact O-N 3.33Å; R88-A90 PolarHBondContact O-N 3.48Å |
| 89 | E | 61.1 | Low | 58.2 | Low | 188 Ų | 188 | 141.9 Ų | 141.9 | 88% | 0.879 | 77% | 0.77 | S | S | * | * | | | trans | -67.8 | 104.3 | 168.2 | -173.1 | 171.6 | -174.3 | 0 | 0 | 107 | A91 | E89-A91 PolarHBondContact O-N 3.12Š|
| 90 | A | 62.2 | Low | 57.7 | Low | 93 Ų | 93 | 138 Ų | 138 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | | | trans | -82.1 | 100.3 | 171 | 0 | 0 | 0 | 0 | 0 | 107.3 | R88 A92 | R88-A90 PolarHBondContact O-N 3.48Å; A90-A92 VanDerWaalsContact C-N 3.3Å; A90-A92 PolarHBondContact O-N 2.8Å |
| 91 | A | 55.2 | Low | 57.5 | Low | 88 Ų | 88 | 135 Ų | 135 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | | | trans | -66.3 | 95 | 162.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | E89 T93 | E89-A91 PolarHBondContact O-N 3.12Å; A91-T93 VanDerWaalsContact C-N 3.33Å; A91-T93 PolarHBondContact O-N 3.28Å; A91-T93 VanDerWaalsContact O-N 3.1Å |
| 92 | A | 63.3 | Low | 57.6 | Low | 85 Ų | 85 | 133.1 Ų | 133.1 | 70% | 0.702 | 74% | 0.736 | S | S | * | * | | | trans | -72.6 | 95.2 | 164.7 | 0 | 0 | 0 | 0 | 0 | 106.8 | A90 D94 | A90-A92 VanDerWaalsContact C-N 3.3Å; A90-A92 PolarHBondContact O-N 2.8Å; A92-D94 PolarHBondContact O-N 3.18Å |
| 93 | T | 57 | Low | 58.2 | Low | 114 Ų | 114 | 130.6 Ų | 130.6 | 70% | 0.699 | 73% | 0.728 | S | S | * | * | | | trans | -66.7 | 116.8 | 167.7 | 44.1 | 0 | 0 | 0 | 0 | 108.2 | A91 E95 | A91-T93 VanDerWaalsContact C-N 3.33Å; A91-T93 PolarHBondContact O-N 3.28Å; A91-T93 VanDerWaalsContact O-N 3.1Å; T93-E95 VanDerWaalsContact C-N 3.25Å; T93-E95 PolarHBondContact O-N 2.91Å |
| 94 | D | 58.2 | Low | 58.3 | Low | 166 Ų | 166 | 129.5 Ų | 129.5 | 89% | 0.888 | 72% | 0.721 | S | S | * | * | | | trans | -62.6 | 78 | 174.8 | -68.4 | -45 | 0 | 0 | 0 | 111.3 | A92 | A92-D94 PolarHBondContact O-N 3.18Š|
| 95 | E | 57.9 | Low | 58.5 | Low | 167 Ų | 167 | 123.5 Ų | 123.5 | 78% | 0.78 | 70% | 0.703 | S | S | * | * | | | trans | -107.7 | 11.9 | 171.2 | -68.5 | -151.3 | 164.7 | 0 | 0 | 113.4 | T93 | T93-E95 VanDerWaalsContact C-N 3.25Å; T93-E95 PolarHBondContact O-N 2.91Å |
| 96 | N | 54.8 | Low | 58.5 | Low | 136 Ų | 136 | 125.6 Ų | 125.6 | 73% | 0.727 | 70% | 0.697 | S | S | * | * | | | trans | -102.1 | 10.8 | -178 | -153.9 | 32.9 | 0 | 0 | 0 | 114.8 | | |
| 97 | G | 55 | Low | 58.2 | Low | 68 Ų | 68 | 124 Ų | 124 | 70% | 0.701 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -77.1 | -17.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 98 | T | 54.2 | Low | 58.4 | Low | 105 Ų | 105 | 121.9 Ų | 121.9 | 64% | 0.644 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -90.1 | -26.3 | -174.6 | 36.1 | 0 | 0 | 0 | 0 | 113.8 | A100 A101 | T98-A100 VanDerWaalsContact C-N 3.3Å; T98-A100 PolarHBondContact O-N 2.94Å; T98-A101 PolarHBondContact O-N 2.92Å |
| 99 | A | 54.1 | Low | 58 | Low | 48 Ų | 48 | 120.6 Ų | 120.6 | 40% | 0.397 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -67.5 | -27.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 100 | A | 56.5 | Low | 57.7 | Low | 64 Ų | 64 | 116 Ų | 116 | 53% | 0.529 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -73.2 | -28 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | T98 | T98-A100 VanDerWaalsContact C-N 3.3Å; T98-A100 PolarHBondContact O-N 2.94Å |
| 101 | A | 58.3 | Low | 57.3 | Low | 57 Ų | 57 | 116.6 Ų | 116.6 | 47% | 0.471 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -80.2 | -30.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | T98 L103 I104 S105 | T98-A101 PolarHBondContact O-N 2.92Å; A101-L103 VanDerWaalsContact C-N 3.35Å; A101-I104 PolarHBondContact O-N 3.03Å; A101-S105 PolarHBondContact O-N 3.41Å; A101-S105 PolarHBondContact O-OG 2.98Å |
| 102 | E | 58.2 | Low | 57.3 | Low | 144 Ų | 144 | 121.1 Ų | 121.1 | 67% | 0.673 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -68.7 | -33.7 | 176.4 | -74.9 | -174 | 160.7 | 0 | 0 | 112.1 | I104 S105 L106 | E102-I104 PolarHBondContact O-N 2.83Å; E102-S105 PolarHBondContact O-N 2.77Å; E102-L106 PolarHBondContact O-N 3.25Å; E102-L106 VanDerWaalsContact O-N 3.16Å |
| 103 | L | 61.2 | Low | 56.8 | Low | 122 Ų | 122 | 120.9 Ų | 120.9 | 64% | 0.639 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -68.9 | -32.3 | 177.7 | -66.6 | 174.8 | 0 | 0 | 0 | 113.2 | A101 S105 L106 R107 | A101-L103 VanDerWaalsContact C-N 3.35Å; L103-S105 VanDerWaalsContact C-N 3.33Å; L103-L106 HydrophobicContact CD2-CD1 4.43Å; L103-R107 PolarHBondContact O-N 3.06Å |
| 104 | I | 59.1 | Low | 56.5 | Low | 111 Ų | 111 | 123.4 Ų | 123.4 | 57% | 0.569 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -71.7 | -32.2 | 175.7 | -61.6 | 171 | 0 | 0 | 0 | 110.9 | A101 E102 | A101-I104 PolarHBondContact O-N 3.03Å; E102-I104 PolarHBondContact O-N 2.83Å |
| 105 | S | 58.4 | Low | 56 | Low | 71 Ų | 71 | 122.1 Ų | 122.1 | 50% | 0.497 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -72.4 | -37.2 | 179.1 | -59.1 | 0 | 0 | 0 | 0 | 112.1 | A101 E102 L103 R107 K108 | A101-S105 PolarHBondContact O-N 3.41Å; A101-S105 PolarHBondContact O-OG 2.98Å; E102-S105 PolarHBondContact O-N 2.77Å; L103-S105 VanDerWaalsContact C-N 3.33Å; S105-R107 VanDerWaalsContact C-N 3.34Å; S105-R107 PolarHBondContact O-N 2.93Å; S105-K108 PolarHBondContact O-N 3.1Å |
| 106 | L | 58.2 | Low | 55.4 | Low | 117 Ų | 117 | 117.6 Ų | 117.6 | 61% | 0.613 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -64.3 | -35.7 | 175.2 | -77.1 | 157.2 | 0 | 0 | 0 | 112.8 | E102 L103 K108 W109 | E102-L106 PolarHBondContact O-N 3.25Å; E102-L106 VanDerWaalsContact O-N 3.16Å; L103-L106 HydrophobicContact CD2-CD1 4.43Å; L106-K108 VanDerWaalsContact C-N 3.29Å; L106-K108 PolarHBondContact O-N 3.29Å; L106-W109 PolarHBondContact O-N 3.1Å |
| 107 | R | 58 | Low | 55.2 | Low | 210 Ų | 210 | 118.7 Ų | 118.7 | 79% | 0.792 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -68.5 | -23.7 | 178.2 | -172.8 | 176.5 | -112.6 | -134 | 0 | 113.5 | L103 S105 S110 | L103-R107 PolarHBondContact O-N 3.06Å; S105-R107 VanDerWaalsContact C-N 3.34Å; S105-R107 PolarHBondContact O-N 2.93Å; R107-S110 PolarHBondContact O-OG 2.84Å |
| 108 | K | 60.1 | Low | 54.8 | Low | 163 Ų | 163 | 120 Ų | 120 | 71% | 0.709 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -85.8 | -17.3 | 177.9 | -72.5 | -175.4 | 176.2 | -177.5 | 0 | 113.5 | S105 L106 | S105-K108 PolarHBondContact O-N 3.1Å; L106-K108 VanDerWaalsContact C-N 3.29Å; L106-K108 PolarHBondContact O-N 3.29Å |
| 109 | W | 55.9 | Low | 54.5 | Low | 216 Ų | 216 | 124.3 Ų | 124.3 | 82% | 0.818 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -91.4 | -9.6 | -177.3 | -78.1 | 24.1 | 0 | 0 | 0 | 114 | L106 S111 | L106-W109 PolarHBondContact O-N 3.1Å; W109-S111 VanDerWaalsContact C-N 3.32Å; W109-S111 PolarHBondContact O-N 3.48Å |
| 110 | S | 55.1 | Low | 54.4 | Low | 91 Ų | 91 | 127.1 Ų | 127.1 | 64% | 0.636 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | 5.1 | 178.1 | 58.3 | 0 | 0 | 0 | 0 | 114.6 | R107 | R107-S110 PolarHBondContact O-OG 2.84Š|
| 111 | S | 55.3 | Low | 54.5 | Low | 105 Ų | 105 | 128.2 Ų | 128.2 | 73% | 0.734 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.3 | 2.7 | -177.6 | -64.3 | 0 | 0 | 0 | 0 | 114.9 | W109 | W109-S111 VanDerWaalsContact C-N 3.32Å; W109-S111 PolarHBondContact O-N 3.48Å |
| 112 | E | 55 | Low | 54.6 | Low | 184 Ų | 184 | 131.1 Ų | 131.1 | 86% | 0.86 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -134.5 | 16.4 | -174.8 | -155 | 142.1 | 179.1 | 0 | 0 | 114.5 | | |
| 113 | A | 51.4 | Low | 54.6 | Low | 79 Ų | 79 | 131.6 Ų | 131.6 | 65% | 0.653 | 73% | 0.734 | S | S | * | * | | | trans | -116.9 | 7.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | V115 | A113-V115 PolarHBondContact O-N 3.07Š|
| 114 | D | 52.4 | Low | 54.7 | Low | 167 Ų | 167 | 130.8 Ų | 130.8 | 89% | 0.893 | 73% | 0.734 | S | S | * | * | | | trans | -81.5 | 54.5 | 174.7 | -98.1 | -12 | 0 | 0 | 0 | 112.2 | | |
| 115 | V | 47.8 | Very low | 54.8 | Low | 140 Ų | 140 | 131.6 Ų | 131.6 | 85% | 0.848 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -123.2 | 83.8 | 164.4 | -178.1 | 0 | 0 | 0 | 0 | 107.6 | A113 | A113-V115 PolarHBondContact O-N 3.07Š|
| 116 | G | 45.5 | Very low | 55.2 | Low | 72 Ų | 72 | 134 Ų | 134 | 74% | 0.742 | 75% | 0.746 | S | S | * | * | S | Bend | trans | 94.5 | 54.1 | 156 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 117 | I | 49.2 | Very low | 55.8 | Low | 159 Ų | 159 | 132.5 Ų | 132.5 | 82% | 0.815 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -136.6 | 136.2 | 153.9 | -56.4 | 179.5 | 0 | 0 | 0 | 107.9 | Q119 | I117-Q119 PolarHBondContact O-N 3.16Š|
| 118 | A | 47.3 | Very low | 56.1 | Low | 96 Ų | 96 | 131 Ų | 131 | 79% | 0.793 | 75% | 0.751 | S | S | * | * | | | trans | -46.4 | 128 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | S120 | A118-S120 PolarHBondContact O-N 2.99Š|
| 119 | Q | 47.6 | Very low | 56 | Low | 195 Ų | 195 | 129.9 Ų | 129.9 | 91% | 0.911 | 75% | 0.753 | S | S | * | * | | | trans | -63.1 | 85.1 | 177.6 | -64 | 169.6 | -30.1 | 0 | 0 | 111 | I117 A121 | I117-Q119 PolarHBondContact O-N 3.16Å; Q119-A121 VanDerWaalsContact C-N 3.3Å; Q119-A121 PolarHBondContact O-N 3.34Å |
| 120 | S | 51.7 | Low | 56.2 | Low | 107 Ų | 107 | 125 Ų | 125 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | | | trans | -87.2 | 84.2 | 152.1 | -178.1 | 0 | 0 | 0 | 0 | 106.3 | A118 V122 | A118-S120 PolarHBondContact O-N 2.99Å; S120-V122 PolarHBondContact O-N 3.48Å |
| 121 | A | 58.3 | Low | 56.6 | Low | 86 Ų | 86 | 124 Ų | 124 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | | | trans | -64.8 | 101.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 106.9 | Q119 E123 | Q119-A121 VanDerWaalsContact C-N 3.3Å; Q119-A121 PolarHBondContact O-N 3.34Å; A121-E123 PolarHBondContact O-N 2.75Å |
| 122 | V | 60.5 | Low | 56.8 | Low | 119 Ų | 119 | 123.9 Ų | 123.9 | 72% | 0.721 | 74% | 0.737 | S | S | * | * | | | trans | -67.9 | 94.8 | 158.2 | -179.4 | 0 | 0 | 0 | 0 | 104.6 | S120 V124 | S120-V122 PolarHBondContact O-N 3.48Å; V122-V124 HydrophobicContact CG1-CG2 4.14Å; V122-V124 PolarHBondContact O-N 3.14Å |
| 123 | E | 57.9 | Low | 57.1 | Low | 154 Ų | 154 | 125.7 Ų | 125.7 | 72% | 0.72 | 74% | 0.736 | S | S | * | * | | | trans | -66.6 | 85.9 | 173.5 | -166.4 | 169.7 | -154.6 | 0 | 0 | 107.2 | A121 N125 | A121-E123 PolarHBondContact O-N 2.75Å; E123-N125 PolarHBondContact O-N 3.1Å; E123-N125 PolarHBondContact O-ND2 2.93Å; E123-N125 VanDerWaalsContact O-ND2 3.12Å |
| 124 | V | 65.2 | Low | 57.9 | Low | 105 Ų | 105 | 128.5 Ų | 128.5 | 64% | 0.636 | 74% | 0.739 | S | S | * | * | | | trans | -68.4 | 91 | 168.6 | -169.7 | 0 | 0 | 0 | 0 | 105.3 | V122 L126 | V122-V124 HydrophobicContact CG1-CG2 4.14Å; V122-V124 PolarHBondContact O-N 3.14Å; V124-L126 HydrophobicContact CG1-CD1 3.49Å; V124-L126 VanDerWaalsContact CG1-CD1 3.49Å; V124-L126 PolarHBondContact O-N 3.21Å |
| 125 | N | 60.6 | Low | 58.5 | Low | 127 Ų | 127 | 125.7 Ų | 125.7 | 68% | 0.679 | 73% | 0.727 | S | S | * | * | | | trans | -64.8 | 76.1 | 172.9 | -77.3 | -87.1 | 0 | 0 | 0 | 108.5 | E123 P127 | E123-N125 PolarHBondContact O-N 3.1Å; E123-N125 PolarHBondContact O-ND2 2.93Å; E123-N125 VanDerWaalsContact O-ND2 3.12Å; N125-P127 WeakPolarHBondContact O-CD 3.42Å |
| 126 | L | 66.7 | Low | 59.2 | Low | 121 Ų | 121 | 125.9 Ų | 125.9 | 63% | 0.634 | 72% | 0.724 | S | S | * | * | | | trans | -70.8 | 121.6 | 161.6 | -106.2 | 76.2 | 0 | 0 | 0 | 106.2 | V124 D128 | V124-L126 HydrophobicContact CG1-CD1 3.49Å; V124-L126 VanDerWaalsContact CG1-CD1 3.49Å; V124-L126 PolarHBondContact O-N 3.21Å; L126-D128 PolarHBondContact O-N 3.25Å; L126-D128 VanDerWaalsContact O-N 3.12Å |
| 127 | P | 69.7 | Low | 59.6 | Low | 86 Ų | 86 | 130.2 Ų | 130.2 | 56% | 0.558 | 73% | 0.725 | S | S | * | * | | | trans | -61.6 | 120.7 | 170.8 | 21.6 | -26.7 | 0 | 0 | 0 | 108.3 | N125 N129 I130 | N125-P127 WeakPolarHBondContact O-CD 3.42Å; P127-N129 PolarHBondContact O-N 3.27Å; P127-I130 HydrophobicContact CG-CD1 4Å; P127-I130 HydrophobicContact CG-CG1 3.88Å; P127-I130 PolarHBondContact O-N 2.92Å |
| 128 | D | 64.5 | Low | 60 | Low | 179 Ų | 179 | 129.8 Ų | 129.8 | 96% | 0.957 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | -1.6 | 175.9 | -76.7 | -32.8 | 0 | 0 | 0 | 113.8 | L126 | L126-D128 PolarHBondContact O-N 3.25Å; L126-D128 VanDerWaalsContact O-N 3.12Å |
| 129 | N | 58.6 | Low | 60.3 | Low | 139 Ų | 139 | 133.4 Ų | 133.4 | 74% | 0.743 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.5 | 21.1 | -176.2 | -157.4 | -0.5 | 0 | 0 | 0 | 114 | P127 A131 | P127-N129 PolarHBondContact O-N 3.27Å; N129-A131 PolarHBondContact O-N 2.88Å |
| 130 | I | 59.5 | Low | 60.7 | Low | 115 Ų | 115 | 133.5 Ų | 133.5 | 59% | 0.59 | 73% | 0.725 | S | S | * | * | | | trans | -80 | 65.2 | 162.8 | -41.8 | 174.8 | 0 | 0 | 0 | 108 | P127 C132 | P127-I130 HydrophobicContact CG-CD1 4Å; P127-I130 HydrophobicContact CG-CG1 3.88Å; P127-I130 PolarHBondContact O-N 2.92Å; I130-C132 VanDerWaalsContact C-N 3.27Å; I130-C132 PolarHBondContact O-N 2.99Å |
| 131 | A | 63.5 | Low | 60.8 | Low | 70 Ų | 70 | 141.4 Ų | 141.4 | 58% | 0.579 | 75% | 0.75 | S | S | * | * | | | trans | -63.3 | 97.6 | 160.4 | 0 | 0 | 0 | 0 | 0 | 106.6 | N129 R133 | N129-A131 PolarHBondContact O-N 2.88Å; A131-R133 PolarHBondContact O-N 2.89Å |
| 132 | C | 60.6 | Low | 60.9 | Low | 101 Ų | 101 | 144.2 Ų | 144.2 | 68% | 0.682 | 75% | 0.752 | S | S | * | * | | | trans | -58.4 | 88.8 | 166 | -78.9 | 0 | 0 | 0 | 0 | 108.4 | I130 I134 | I130-C132 VanDerWaalsContact C-N 3.27Å; I130-C132 PolarHBondContact O-N 2.99Å; C132-I134 HydrophobicContact CB-CG1 4.18Å; C132-I134 PolarHBondContact O-N 2.96Å |
| 133 | R | 61.8 | Low | 61 | Low | 222 Ų | 222 | 145.5 Ų | 145.5 | 84% | 0.838 | 75% | 0.753 | S | S | * | * | | | trans | -72.4 | 81.8 | 164.3 | -68.7 | -171.2 | -175.2 | -171.6 | 1.8 | 107.3 | A131 T135 | A131-R133 PolarHBondContact O-N 2.89Å; R133-T135 HydrophobicContact CB-CG2 4.49Å; R133-T135 PolarHBondContact O-N 2.82Å; R133-T135 VanDerWaalsContact O-N 3.1Å |
| 134 | I | 67.8 | Low | 61.1 | Low | 139 Ų | 139 | 145 Ų | 145 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | | | trans | -80 | 82.7 | 165.4 | -49.3 | 174.3 | 0 | 0 | 0 | 105.4 | C132 N136 | C132-I134 HydrophobicContact CB-CG1 4.18Å; C132-I134 PolarHBondContact O-N 2.96Å; I134-N136 PolarHBondContact O-N 2.87Å |
| 135 | T | 64.1 | Low | 60.9 | Low | 107 Ų | 107 | 147.4 Ų | 147.4 | 66% | 0.656 | 76% | 0.762 | S | S | * | * | | | trans | -83.8 | 101.8 | 170.6 | 50.7 | 0 | 0 | 0 | 0 | 107.4 | R133 H137 | R133-T135 HydrophobicContact CB-CG2 4.49Å; R133-T135 PolarHBondContact O-N 2.82Å; R133-T135 VanDerWaalsContact O-N 3.1Å; T135-H137 PolarHBondContact O-N 2.94Å |
| 136 | N | 62.6 | Low | 60.9 | Low | 144 Ų | 144 | 148.6 Ų | 148.6 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | | | trans | -67 | 101.2 | 164.7 | -63.3 | -30.4 | 0 | 0 | 0 | 107 | I134 D138 | I134-N136 PolarHBondContact O-N 2.87Å; N136-D138 VanDerWaalsContact C-N 3.34Å; N136-D138 PolarHBondContact O-N 2.99Å |
| 137 | H | 54.6 | Low | 60.5 | Low | 164 Ų | 164 | 150.5 Ų | 150.5 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | | | trans | -98.9 | 64.3 | 173.9 | -139.2 | -53.5 | 0 | 0 | 0 | 108.5 | T135 E139 | T135-H137 PolarHBondContact O-N 2.94Å; H137-E139 PolarHBondContact O-N 3.45Å |
| 138 | D | 57.7 | Low | 59.9 | Low | 149 Ų | 149 | 155.1 Ų | 155.1 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | | | trans | -88.2 | 85.1 | 164.1 | -87.9 | -32.9 | 0 | 0 | 0 | 107.1 | N136 | N136-D138 VanDerWaalsContact C-N 3.34Å; N136-D138 PolarHBondContact O-N 2.99Å |
| 139 | E | 53.1 | Low | 59.5 | Low | 172 Ų | 172 | 153.2 Ų | 153.2 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | trans | -171.5 | 95.9 | 154.4 | -71.7 | -153 | 157.7 | 0 | 0 | 107.8 | H137 | H137-E139 PolarHBondContact O-N 3.45Š|
| 140 | Q | 55.2 | Low | 59.6 | Low | 198 Ų | 198 | 154.4 Ų | 154.4 | 93% | 0.925 | 78% | 0.782 | S | S | * | * | | | trans | -167.3 | 95.4 | 147.1 | -78 | -134.1 | 1.2 | 0 | 0 | 109.8 | | |
| 141 | E | 54.6 | Low | 59.6 | Low | 272 Ų | 272 | 158 Ų | 158 | 100% | 1.271 | 80% | 0.799 | S | S | * | * | | | | -158.9 | 0 | 128.1 | -155.8 | 173.6 | -172.6 | 0 | 0 | 109.5 | | |