| 1 | M | 38.9 | Very low | 38.8 | Very low | 245 Ų | 245 | 148.1 Ų | 148.1 | 100% | 1.207 | 85% | 0.852 | S | S | * | * | | | | 0 | 128.2 | 0 | -75.5 | 170 | 170.9 | 0 | 0 | 108.3 | | |
| 2 | M | 41.3 | Very low | 38.5 | Very low | 191 Ų | 191 | 142.1 Ų | 142.1 | 94% | 0.941 | 85% | 0.847 | S | S | * | * | | | trans | -66.6 | 136.4 | -165.4 | -70 | 170.1 | 170 | 0 | 0 | 112.6 | T4 | M2-T4 PolarHBondContact O-N 2.91Š|
| 3 | K | 39.6 | Very low | 38 | Very low | 206 Ų | 206 | 150.1 Ų | 150.1 | 90% | 0.896 | 85% | 0.853 | S | S | * | * | | | trans | -77.4 | 110 | 170.4 | -81.9 | 175.1 | 173.3 | 172 | 0 | 108.8 | V5 | K3-V5 PolarHBondContact O-N 2.9Š|
| 4 | T | 38.7 | Very low | 38.1 | Very low | 130 Ų | 130 | 147.4 Ų | 147.4 | 80% | 0.798 | 85% | 0.848 | S | S | * | * | | | trans | -73.6 | 114.3 | 171.1 | -48.8 | 0 | 0 | 0 | 0 | 109.3 | M2 | M2-T4 PolarHBondContact O-N 2.91Š|
| 5 | V | 43.8 | Very low | 37.9 | Very low | 127 Ų | 127 | 150.5 Ų | 150.5 | 77% | 0.77 | 85% | 0.848 | S | S | * | * | | | trans | -79.8 | 112.6 | 171 | 177.3 | 0 | 0 | 0 | 0 | 107.7 | K3 C7 | K3-V5 PolarHBondContact O-N 2.9Å; V5-C7 PolarHBondContact O-N 3.31Å |
| 6 | L | 36.9 | Very low | 37.9 | Very low | 156 Ų | 156 | 147.5 Ų | 147.5 | 82% | 0.817 | 84% | 0.84 | S | S | * | * | | | trans | -83.3 | 97.3 | 173.2 | -161.8 | 74.6 | 0 | 0 | 0 | 108.7 | C8 | L6-C8 PolarHBondContact O-N 2.81Š|
| 7 | C | 33.3 | Very low | 37.5 | Very low | 99 Ų | 99 | 147.8 Ų | 147.8 | 67% | 0.669 | 84% | 0.838 | S | S | * | * | | | trans | -84.4 | 99.8 | 175.8 | -164.3 | 0 | 0 | 0 | 0 | 108.9 | V5 L9 | V5-C7 PolarHBondContact O-N 3.31Å; C7-L9 PolarHBondContact O-N 2.97Å; C7-L9 VanDerWaalsContact O-N 3.1Å |
| 8 | C | 38.6 | Very low | 37.6 | Very low | 115 Ų | 115 | 146.4 Ų | 146.4 | 78% | 0.777 | 83% | 0.834 | S | S | * | * | | | trans | -78.8 | 88.7 | 169.2 | -70.6 | 0 | 0 | 0 | 0 | 109.5 | L6 A10 | L6-C8 PolarHBondContact O-N 2.81Å; C8-A10 PolarHBondContact O-N 2.68Å |
| 9 | L | 36.5 | Very low | 37.4 | Very low | 156 Ų | 156 | 145.3 Ų | 145.3 | 82% | 0.817 | 83% | 0.83 | S | S | * | * | | | trans | -69.4 | 106.4 | 154.1 | -105.2 | 88.7 | 0 | 0 | 0 | 108 | C7 | C7-L9 PolarHBondContact O-N 2.97Å; C7-L9 VanDerWaalsContact O-N 3.1Å |
| 10 | A | 41.3 | Very low | 37.2 | Very low | 100 Ų | 100 | 144.4 Ų | 144.4 | 83% | 0.826 | 83% | 0.833 | S | S | * | * | | | trans | -110.2 | 100 | 156.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | C8 | C8-A10 PolarHBondContact O-N 2.68Š|
| 11 | A | 38.4 | Very low | 37.4 | Very low | 104 Ų | 104 | 146 Ų | 146 | 86% | 0.86 | 83% | 0.833 | S | S | * | * | | | trans | -61.1 | 145.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 12 | G | 34.7 | Very low | 37.2 | Very low | 76 Ų | 76 | 143.4 Ų | 143.4 | 78% | 0.784 | 82% | 0.815 | S | S | * | * | | | trans | 169.5 | 51.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | S14 | G12-S14 PolarHBondContact O-N 2.7Š|
| 13 | R | 31.5 | Very low | 37 | Very low | 246 Ų | 246 | 140 Ų | 140 | 93% | 0.928 | 81% | 0.805 | S | S | * | * | | | trans | -71.1 | 114.2 | 161.9 | -71.3 | 173 | 105.7 | -178.5 | 6.3 | 107.2 | | |
| 14 | S | 39.3 | Very low | 37.4 | Very low | 112 Ų | 112 | 136 Ų | 136 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | | | trans | -126.4 | 101.2 | 158.5 | -164.9 | 0 | 0 | 0 | 0 | 108 | G12 | G12-S14 PolarHBondContact O-N 2.7Š|
| 15 | K | 35.7 | Very low | 37.3 | Very low | 194 Ų | 194 | 138.3 Ų | 138.3 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | | | trans | -84.4 | 120 | 163.3 | -82.3 | -177.5 | 167.3 | -171.2 | 0 | 106.3 | | |
| 16 | S | 38.8 | Very low | 37 | Very low | 103 Ų | 103 | 141 Ų | 141 | 72% | 0.72 | 81% | 0.805 | S | S | * | * | | | trans | -127.7 | 105.4 | 161.1 | 54 | 0 | 0 | 0 | 0 | 108.1 | | |
| 17 | D | 30.5 | Very low | 37.1 | Very low | 152 Ų | 152 | 144.7 Ų | 144.7 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | | | trans | -62.1 | 126 | 160.7 | -71.5 | -59.1 | 0 | 0 | 0 | 109.3 | | |
| 18 | T | 39.8 | Very low | 37.6 | Very low | 124 Ų | 124 | 145.8 Ų | 145.8 | 76% | 0.761 | 81% | 0.814 | S | S | * | * | | | trans | -162.1 | 103.1 | 149 | 36 | 0 | 0 | 0 | 0 | 110.2 | | |
| 19 | T | 34 | Very low | 37.6 | Very low | 125 Ų | 125 | 145.3 Ų | 145.3 | 77% | 0.767 | 81% | 0.812 | S | S | * | * | | | | 58.6 | 98.1 | 127.5 | -29.3 | 0 | 0 | 0 | 0 | 118.7 | E21 | T19-E21 PolarHBondContact O-N 2.82Š|
| 20 | S | 33.5 | Very low | 37.9 | Very low | 126 Ų | 126 | 144.9 Ų | 144.9 | 88% | 0.881 | 81% | 0.81 | S | S | * | * | | | trans | -66.3 | 103.8 | 155 | 177.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 21 | E | 39.6 | Very low | 38 | Very low | 179 Ų | 179 | 149 Ų | 149 | 84% | 0.836 | 81% | 0.812 | S | S | * | * | | | trans | -111.3 | 126.6 | 161.1 | -149.9 | -177.7 | 153.1 | 0 | 0 | 109.1 | T19 V23 | T19-E21 PolarHBondContact O-N 2.82Å; E21-V23 PolarHBondContact O-N 2.99Å |
| 22 | K | 35 | Very low | 38.2 | Very low | 191 Ų | 191 | 152 Ų | 152 | 83% | 0.83 | 81% | 0.806 | S | S | * | * | | | trans | -82.4 | 115.4 | -164 | -161.5 | 174.2 | -175.5 | -174.6 | 0 | 108.9 | P24 | K22-P24 VanDerWaalsContact O-CD 3.32Å; K22-P24 WeakPolarHBondContact O-CD 3.12Å |
| 23 | V | 37.6 | Very low | 38.3 | Very low | 119 Ų | 119 | 154.6 Ų | 154.6 | 72% | 0.721 | 81% | 0.807 | S | S | * | * | | | trans | -60 | 127.1 | 173 | 174.9 | 0 | 0 | 0 | 0 | 111.3 | E21 | E21-V23 PolarHBondContact O-N 2.99Š|
| 24 | P | 47.7 | Very low | 38.9 | Very low | 121 Ų | 121 | 146.8 Ų | 146.8 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | | | trans | -91.4 | 116.7 | 151.9 | -3.3 | 24.1 | 0 | 0 | 0 | 108.6 | K22 E26 | K22-P24 VanDerWaalsContact O-CD 3.32Å; K22-P24 WeakPolarHBondContact O-CD 3.12Å; P24-E26 PolarHBondContact O-N 3.49Å; P24-E26 VanDerWaalsContact O-N 3.17Å |
| 25 | H | 37.4 | Very low | 39.1 | Very low | 179 Ų | 179 | 149.3 Ų | 149.3 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | | | trans | -61.2 | 106.6 | 170.8 | -100.8 | -64.1 | 0 | 0 | 0 | 110.4 | | |
| 26 | E | 37.6 | Very low | 39.4 | Very low | 185 Ų | 185 | 147.7 Ų | 147.7 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | | | trans | -105.3 | 117.3 | 159 | -151.7 | 177.4 | 176.2 | 0 | 0 | 108.5 | P24 | P24-E26 PolarHBondContact O-N 3.49Å; P24-E26 VanDerWaalsContact O-N 3.17Å |
| 27 | R | 39 | Very low | 39.7 | Very low | 232 Ų | 232 | 147.3 Ų | 147.3 | 88% | 0.875 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 126.9 | -176.4 | -74.4 | 177.3 | 173.9 | 179.6 | -1.7 | 109.1 | S29 | R27-S29 PolarHBondContact O-N 2.77Š|
| 28 | P | 42.7 | Very low | 40.6 | Very low | 122 Ų | 122 | 147 Ų | 147 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 117.8 | 171.8 | 24.5 | -29.4 | 0 | 0 | 0 | 109.6 | L30 | P28-L30 PolarHBondContact O-N 3Š|
| 29 | S | 39.2 | Very low | 40.7 | Very low | 106 Ų | 106 | 148 Ų | 148 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 116.9 | 171.6 | 59.2 | 0 | 0 | 0 | 0 | 109.1 | R27 E31 | R27-S29 PolarHBondContact O-N 2.77Å; S29-E31 VanDerWaalsContact C-N 3.28Å; S29-E31 PolarHBondContact O-N 2.79Å |
| 30 | L | 43 | Very low | 41.2 | Very low | 147 Ų | 147 | 149.3 Ų | 149.3 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | | | trans | -85.9 | 67.9 | 176.4 | -109.4 | 168.2 | 0 | 0 | 0 | 108.9 | P28 K32 | P28-L30 PolarHBondContact O-N 3Å; L30-K32 HydrophobicContact CD2-CG 4.23Å; L30-K32 PolarHBondContact O-N 3.08Å |
| 31 | E | 42.8 | Very low | 41.6 | Very low | 185 Ų | 185 | 152 Ų | 152 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | | | trans | -84.3 | 90.8 | 164.1 | -90.4 | 164.5 | 160.1 | 0 | 0 | 109 | S29 | S29-E31 VanDerWaalsContact C-N 3.28Å; S29-E31 PolarHBondContact O-N 2.79Å |
| 32 | K | 43.4 | Very low | 41.7 | Very low | 167 Ų | 167 | 151 Ų | 151 | 73% | 0.726 | 79% | 0.788 | S | S | * | * | | | trans | -61.4 | 130.3 | 174.8 | -84.9 | 170.3 | 169.7 | 173.5 | 0 | 111.7 | L30 | L30-K32 HydrophobicContact CD2-CG 4.23Å; L30-K32 PolarHBondContact O-N 3.08Å |
| 33 | T | 36.4 | Very low | 42.1 | Very low | 132 Ų | 132 | 150 Ų | 150 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | | | | 62 | 96.7 | 122.7 | -46.6 | 0 | 0 | 0 | 0 | 117.1 | | |
| 34 | A | 45.1 | Very low | 42.4 | Very low | 81 Ų | 81 | 151.1 Ų | 151.1 | 67% | 0.669 | 79% | 0.789 | S | S | * | * | | | trans | -145.1 | 115.6 | 159 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 35 | Q | 42.4 | Very low | 42.1 | Very low | 165 Ų | 165 | 152.7 Ų | 152.7 | 77% | 0.771 | 79% | 0.791 | S | S | * | * | | | trans | 51.1 | 99.4 | 159.1 | -70.5 | 87.2 | 3.7 | 0 | 0 | 117.6 | | |
| 36 | N | 41.5 | Very low | 42.4 | Very low | 160 Ų | 160 | 153.2 Ų | 153.2 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | | | | 22.9 | 82.1 | 68.8 | -80.1 | -32 | 0 | 0 | 0 | 115.4 | | |
| 37 | A | 46.5 | Very low | 42.6 | Very low | 96 Ų | 96 | 151.3 Ų | 151.3 | 79% | 0.793 | 80% | 0.795 | S | S | * | * | | | trans | -132.4 | 97.1 | 152.1 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 38 | I | 49.5 | Very low | 42.9 | Very low | 145 Ų | 145 | 144.7 Ų | 144.7 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | | | trans | -113.7 | 101.2 | 170.7 | -53.5 | 174.5 | 0 | 0 | 0 | 105.3 | L40 | I38-L40 PolarHBondContact O-N 2.71Š|
| 39 | D | 42 | Very low | 42.9 | Very low | 146 Ų | 146 | 148 Ų | 148 | 78% | 0.781 | 79% | 0.794 | S | S | * | * | | | trans | -72.2 | 106.8 | 179.8 | -168 | 19.5 | 0 | 0 | 0 | 108.8 | | |
| 40 | L | 42.9 | Very low | 43.2 | Very low | 151 Ų | 151 | 147.8 Ų | 147.8 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | | | trans | -100.7 | 94.2 | -178.4 | -151.5 | 85.8 | 0 | 0 | 0 | 108.3 | I38 Q42 | I38-L40 PolarHBondContact O-N 2.71Å; L40-Q42 PolarHBondContact O-N 2.95Å |
| 41 | K | 42.9 | Very low | 43.4 | Very low | 184 Ų | 184 | 146.3 Ų | 146.3 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | | | trans | -65.9 | 116.5 | 173.2 | -75.5 | -151.9 | 172.3 | -164.1 | 0 | 110.5 | D43 | K41-D43 PolarHBondContact O-N 3.02Š|
| 42 | Q | 42.3 | Very low | 43.3 | Very low | 156 Ų | 156 | 144.3 Ų | 144.3 | 73% | 0.729 | 79% | 0.792 | S | S | * | * | | | trans | -69.6 | 112 | 164.8 | -82.2 | 168.6 | -90.7 | 0 | 0 | 108.9 | L40 E44 | L40-Q42 PolarHBondContact O-N 2.95Å; Q42-E44 VanDerWaalsContact C-N 3.35Å; Q42-E44 PolarHBondContact NE2-OE2 2.79Å; Q42-E44 PolarHBondContact O-N 2.83Å |
| 43 | D | 41.6 | Very low | 43.2 | Very low | 172 Ų | 172 | 144.7 Ų | 144.7 | 92% | 0.92 | 80% | 0.796 | S | S | * | * | | | trans | -94.1 | 75.6 | 165 | -148.3 | 60.5 | 0 | 0 | 0 | 106.3 | K41 | K41-D43 PolarHBondContact O-N 3.02Š|
| 44 | E | 44.1 | Very low | 43.5 | Very low | 141 Ų | 141 | 144.5 Ų | 144.5 | 66% | 0.659 | 80% | 0.798 | S | S | * | * | | | trans | -91 | 114.6 | 165.8 | -97.8 | 174.4 | 91.1 | 0 | 0 | 106.4 | Q42 | Q42-E44 VanDerWaalsContact C-N 3.35Å; Q42-E44 PolarHBondContact NE2-OE2 2.79Å; Q42-E44 PolarHBondContact O-N 2.83Å |
| 45 | D | 42 | Very low | 43.4 | Very low | 154 Ų | 154 | 151 Ų | 151 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | | | trans | 162.4 | 116.8 | 145.8 | -86.1 | -34.4 | 0 | 0 | 0 | 107.7 | | |
| 46 | Q | 42.9 | Very low | 43.3 | Very low | 190 Ų | 190 | 153.1 Ų | 153.1 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | | | trans | 162.9 | 59.1 | 148.5 | -73.4 | -130.7 | 65.6 | 0 | 0 | 108.7 | | |
| 47 | V | 43 | Very low | 43.1 | Very low | 146 Ų | 146 | 153.5 Ų | 153.5 | 89% | 0.885 | 81% | 0.808 | S | S | * | * | | | trans | -94.4 | 90.9 | 161.9 | -179.4 | 0 | 0 | 0 | 0 | 106.6 | E49 | V47-E49 PolarHBondContact O-N 3.3Š|
| 48 | A | 45.6 | Very low | 42.7 | Very low | 93 Ų | 93 | 155.8 Ų | 155.8 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | | | trans | -66.9 | 109.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | S50 | A48-S50 PolarHBondContact O-N 3.06Š|
| 49 | E | 42.6 | Very low | 42.5 | Very low | 190 Ų | 190 | 159.1 Ų | 159.1 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | | | trans | -71.9 | 98 | 172.5 | -170.9 | -178.9 | 167.8 | 0 | 0 | 109.2 | V47 | V47-E49 PolarHBondContact O-N 3.3Š|
| 50 | S | 44.6 | Very low | 42.2 | Very low | 103 Ų | 103 | 155.8 Ų | 155.8 | 72% | 0.72 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 123.9 | 173.7 | -177.3 | 0 | 0 | 0 | 0 | 110.3 | A48 | A48-S50 PolarHBondContact O-N 3.06Š|
| 51 | P | 46.8 | Very low | 42.1 | Very low | 116 Ų | 116 | 155.5 Ų | 155.5 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 130.9 | -174.6 | 25.2 | -32.1 | 0 | 0 | 0 | 113 | Q53 | P51-Q53 PolarHBondContact O-N 2.88Š|
| 52 | V | 40.6 | Very low | 42 | Very low | 142 Ų | 142 | 152.4 Ų | 152.4 | 86% | 0.861 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 119.8 | -179.9 | 176.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 53 | Q | 41.7 | Very low | 42.2 | Very low | 175 Ų | 175 | 153 Ų | 153 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 144.9 | 171 | -82.3 | -173.5 | -30.5 | 0 | 0 | 111.8 | P51 | P51-Q53 PolarHBondContact O-N 2.88Š|
| 54 | P | 43.1 | Very low | 42.4 | Very low | 129 Ų | 129 | 149.3 Ų | 149.3 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 143.7 | -173.4 | 26.2 | -32.1 | 0 | 0 | 0 | 114.4 | | |
| 55 | R | 42.6 | Very low | 42.4 | Very low | 216 Ų | 216 | 150.2 Ų | 150.2 | 82% | 0.815 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 128.4 | -175.5 | -148 | 176.6 | -171.6 | 122.9 | -1.5 | 112.5 | | |
| 56 | K | 40.3 | Very low | 42.7 | Very low | 210 Ų | 210 | 150.5 Ų | 150.5 | 91% | 0.913 | 82% | 0.818 | S | S | * | * | | | trans | -87.7 | 114.3 | 158.2 | -86.3 | -175.2 | 176.3 | 179.8 | 0 | 108.3 | | |
| 57 | E | 37.7 | Very low | 42.8 | Very low | 168 Ų | 168 | 149.1 Ų | 149.1 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | | | trans | -87.5 | 112 | 171 | -63.4 | 172.5 | 168.7 | 0 | 0 | 108.2 | | |
| 58 | N | 37.3 | Very low | 43.1 | Very low | 145 Ų | 145 | 147 Ų | 147 | 78% | 0.775 | 80% | 0.801 | S | S | * | * | | | trans | -165.5 | 157 | 148.1 | -132.4 | -20 | 0 | 0 | 0 | 111.1 | | |
| 59 | Y | 45.2 | Very low | 43.4 | Very low | 214 Ų | 214 | 151.3 Ų | 151.3 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | | | trans | 88.6 | 95.1 | -178.7 | -59.4 | -80.1 | 0 | 0 | 0 | 115.2 | D61 | Y59-D61 PolarHBondContact O-N 3.22Š|
| 60 | G | 36.4 | Very low | 44 | Very low | 77 Ų | 77 | 150.9 Ų | 150.9 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | | | trans | -61.3 | 126.7 | 155.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 61 | D | 40.2 | Very low | 44.3 | Very low | 145 Ų | 145 | 150.9 Ų | 150.9 | 78% | 0.775 | 80% | 0.796 | S | S | * | * | | | trans | -150.4 | 129.7 | 130.7 | -110.3 | -29.1 | 0 | 0 | 0 | 106.3 | Y59 H63 | Y59-D61 PolarHBondContact O-N 3.22Å; D61-H63 PolarHBondContact O-N 2.78Å |
| 62 | S | 42.2 | Very low | 44.8 | Very low | 119 Ų | 119 | 153.1 Ų | 153.1 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | | | trans | -70.6 | 68.6 | -174.6 | 47.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 63 | H | 45.2 | Very low | 45.2 | Very low | 168 Ų | 168 | 151.5 Ų | 151.5 | 78% | 0.778 | 79% | 0.79 | S | S | * | * | | | trans | -100.5 | 94.4 | 153.1 | -73.4 | -74.5 | 0 | 0 | 0 | 105.9 | D61 L65 | D61-H63 PolarHBondContact O-N 2.78Å; H63-L65 PolarHBondContact O-N 3.09Å |
| 64 | A | 46.4 | Very low | 46 | Very low | 95 Ų | 95 | 147.1 Ų | 147.1 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | | | trans | -60.6 | 85.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108 | L66 | A64-L66 VanDerWaalsContact C-N 3.3Å; A64-L66 PolarHBondContact O-N 3.46Å |
| 65 | L | 43.2 | Very low | 46.4 | Very low | 159 Ų | 159 | 146.9 Ų | 146.9 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | | | trans | -64.9 | 97.2 | 168.7 | -171.5 | 74 | 0 | 0 | 0 | 105.4 | H63 E67 | H63-L65 PolarHBondContact O-N 3.09Å; L65-E67 PolarHBondContact O-N 3.46Å |
| 66 | L | 48.1 | Very low | 47.1 | Very low | 160 Ų | 160 | 147.7 Ų | 147.7 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | | | trans | -54.3 | 112.5 | 175.4 | -71.2 | 163.7 | 0 | 0 | 0 | 107.9 | A64 | A64-L66 VanDerWaalsContact C-N 3.3Å; A64-L66 PolarHBondContact O-N 3.46Å |
| 67 | E | 45.2 | Very low | 47.9 | Very low | 161 Ų | 161 | 143.2 Ų | 143.2 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | | | trans | -47.7 | 129.5 | 176.1 | -87.7 | -74.2 | 138.3 | 0 | 0 | 110.4 | L65 K69 | L65-E67 PolarHBondContact O-N 3.46Å; E67-K69 VanDerWaalsContact C-N 3.26Å; E67-K69 PolarHBondContact O-N 2.82Å |
| 68 | P | 50.1 | Low | 48.6 | Very low | 102 Ų | 102 | 140.5 Ų | 140.5 | 66% | 0.662 | 77% | 0.771 | S | S | * | * | | | trans | -70.6 | 85.3 | 179 | 28.2 | -32.1 | 0 | 0 | 0 | 109.2 | Q70 | P68-Q70 VanDerWaalsContact C-N 3.31Å; P68-Q70 PolarHBondContact O-N 2.85Å |
| 69 | K | 51.5 | Low | 49.6 | Very low | 184 Ų | 184 | 142.1 Ų | 142.1 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | | | trans | -66.4 | 94 | 172.1 | -164.7 | 170.5 | -175.8 | 173.7 | 0 | 108.1 | E67 T71 | E67-K69 VanDerWaalsContact C-N 3.26Å; E67-K69 PolarHBondContact O-N 2.82Å; K69-T71 VanDerWaalsContact C-N 3.29Å; K69-T71 PolarHBondContact O-N 2.95Å; K69-T71 PolarHBondContact O-OG1 3.37Å |
| 70 | Q | 55.7 | Low | 50.1 | Low | 181 Ų | 181 | 139.3 Ų | 139.3 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | | | trans | -57.4 | 92.1 | 175.1 | -65.6 | -178 | 16.3 | 0 | 0 | 108.9 | P68 | P68-Q70 VanDerWaalsContact C-N 3.31Å; P68-Q70 PolarHBondContact O-N 2.85Å |
| 71 | T | 51.7 | Low | 51.3 | Low | 103 Ų | 103 | 140.3 Ų | 140.3 | 63% | 0.632 | 77% | 0.767 | S | S | * | * | | | trans | -91.7 | 105.2 | 174.5 | -56.8 | 0 | 0 | 0 | 0 | 106.3 | K69 V73 | K69-T71 VanDerWaalsContact C-N 3.29Å; K69-T71 PolarHBondContact O-N 2.95Å; K69-T71 PolarHBondContact O-OG1 3.37Å; T71-V73 VanDerWaalsContact C-N 3.33Å; T71-V73 HydrophobicContact CG2-CG2 4.26Å; T71-V73 PolarHBondContact O-N 3.39Å |
| 72 | I | 56 | Low | 51.9 | Low | 162 Ų | 162 | 144.2 Ų | 144.2 | 83% | 0.831 | 77% | 0.771 | S | S | * | * | | | trans | -67.8 | 95.8 | 171.8 | -59.4 | 170.4 | 0 | 0 | 0 | 106.7 | A74 | I72-A74 PolarHBondContact O-N 3.29Å; I72-A74 VanDerWaalsContact O-N 3.15Å |
| 73 | V | 49.8 | Very low | 52 | Low | 108 Ų | 108 | 143.9 Ų | 143.9 | 66% | 0.655 | 77% | 0.767 | S | S | * | * | | | trans | -76.9 | 101.2 | 174.2 | 179.7 | 0 | 0 | 0 | 0 | 107.4 | T71 V75 | T71-V73 VanDerWaalsContact C-N 3.33Å; T71-V73 HydrophobicContact CG2-CG2 4.26Å; T71-V73 PolarHBondContact O-N 3.39Å; V73-V75 HydrophobicContact CG1-CG2 4.45Å; V73-V75 PolarHBondContact O-N 3.1Å |
| 74 | A | 58.9 | Low | 52.2 | Low | 83 Ų | 83 | 143.8 Ų | 143.8 | 69% | 0.686 | 77% | 0.767 | S | S | * | * | | | trans | -65.6 | 101.1 | 168 | 0 | 0 | 0 | 0 | 0 | 108.7 | I72 R76 | I72-A74 PolarHBondContact O-N 3.29Å; I72-A74 VanDerWaalsContact O-N 3.15Å; A74-R76 VanDerWaalsContact C-N 3.35Å; A74-R76 PolarHBondContact O-N 3.31Å |
| 75 | V | 51.7 | Low | 52.4 | Low | 125 Ų | 125 | 144.1 Ų | 144.1 | 76% | 0.758 | 77% | 0.77 | S | S | * | * | | | trans | -72 | 91.8 | 175.2 | -176.6 | 0 | 0 | 0 | 0 | 107.9 | V73 T77 | V73-V75 HydrophobicContact CG1-CG2 4.45Å; V73-V75 PolarHBondContact O-N 3.1Å; V75-T77 PolarHBondContact O-N 3.36Å |
| 76 | R | 56.8 | Low | 52.3 | Low | 232 Ų | 232 | 140.8 Ų | 140.8 | 88% | 0.875 | 76% | 0.759 | S | S | * | * | | | trans | -70.3 | 109.7 | 166.8 | -76.6 | -168.6 | 166.5 | 130 | -0.4 | 108.1 | A74 | A74-R76 VanDerWaalsContact C-N 3.35Å; A74-R76 PolarHBondContact O-N 3.31Å |
| 77 | T | 57.2 | Low | 52.2 | Low | 116 Ų | 116 | 141 Ų | 141 | 71% | 0.712 | 76% | 0.756 | S | S | * | * | | | trans | -56.9 | 124.3 | 168.3 | 31.3 | 0 | 0 | 0 | 0 | 109.2 | V75 Q79 | V75-T77 PolarHBondContact O-N 3.36Å; T77-Q79 PolarHBondContact O-N 3.25Å; T77-Q79 VanDerWaalsContact O-N 3.08Å |
| 78 | P | 51.7 | Low | 52.1 | Low | 112 Ų | 112 | 142.6 Ų | 142.6 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | | | trans | -65.1 | 112.9 | 178.3 | 24.7 | -31.3 | 0 | 0 | 0 | 109.1 | L80 | P78-L80 PolarHBondContact O-N 3.47Å; P78-L80 VanDerWaalsContact O-N 3.08Å |
| 79 | Q | 57.9 | Low | 51.9 | Low | 178 Ų | 178 | 146.3 Ų | 146.3 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | | | trans | -65.7 | 105.6 | 166.6 | -84.2 | -77 | -22.8 | 0 | 0 | 107.5 | T77 S81 | T77-Q79 PolarHBondContact O-N 3.25Å; T77-Q79 VanDerWaalsContact O-N 3.08Å; Q79-S81 VanDerWaalsContact C-N 3.27Å; Q79-S81 PolarHBondContact O-N 3.1Å |
| 80 | L | 57.3 | Low | 51.7 | Low | 156 Ų | 156 | 142.9 Ų | 142.9 | 82% | 0.817 | 77% | 0.769 | S | S | * | * | | | trans | -71.3 | 87 | 172 | -64.9 | 175.2 | 0 | 0 | 0 | 108.1 | P78 R82 | P78-L80 PolarHBondContact O-N 3.47Å; P78-L80 VanDerWaalsContact O-N 3.08Å; L80-R82 PolarHBondContact O-N 2.76Å |
| 81 | S | 61.6 | Low | 51.1 | Low | 97 Ų | 97 | 137 Ų | 137 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | | | trans | -57.4 | 126.8 | 164.2 | 52.8 | 0 | 0 | 0 | 0 | 108 | Q79 C83 | Q79-S81 VanDerWaalsContact C-N 3.27Å; Q79-S81 PolarHBondContact O-N 3.1Å; S81-C83 VanDerWaalsContact C-N 3.34Å; S81-C83 PolarHBondContact O-N 2.85Å |
| 82 | R | 51 | Low | 50.9 | Low | 228 Ų | 228 | 138.1 Ų | 138.1 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | | | trans | -61.5 | 95.1 | 175.3 | -71.7 | 178.5 | -178.7 | 164.3 | 0.5 | 108.7 | L80 H84 | L80-R82 PolarHBondContact O-N 2.76Å; R82-H84 PolarHBondContact O-N 3.48Å; R82-H84 VanDerWaalsContact O-N 3.11Å |
| 83 | C | 45.2 | Very low | 50.2 | Low | 112 Ų | 112 | 133.8 Ų | 133.8 | 76% | 0.757 | 76% | 0.759 | S | S | * | * | | | trans | -66.3 | 110.1 | 166.5 | -78.6 | 0 | 0 | 0 | 0 | 107.6 | S81 A85 | S81-C83 VanDerWaalsContact C-N 3.34Å; S81-C83 PolarHBondContact O-N 2.85Å; C83-A85 PolarHBondContact O-N 3.31Å |
| 84 | H | 49.1 | Very low | 49.9 | Very low | 166 Ų | 166 | 139.1 Ų | 139.1 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | | | trans | -68.1 | 81.4 | 166.4 | -71.1 | -82 | 0 | 0 | 0 | 108.1 | R82 S86 | R82-H84 PolarHBondContact O-N 3.48Å; R82-H84 VanDerWaalsContact O-N 3.11Å; H84-S86 PolarHBondContact O-N 2.9Å |
| 85 | A | 50.1 | Low | 49.7 | Very low | 102 Ų | 102 | 141.2 Ų | 141.2 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | | | trans | -76.1 | 70.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | C83 | C83-A85 PolarHBondContact O-N 3.31Š|
| 86 | S | 42.9 | Very low | 49.6 | Very low | 88 Ų | 88 | 143 Ų | 143 | 62% | 0.615 | 78% | 0.78 | S | S | * | * | | | trans | -150.6 | 74.3 | 174.9 | 49.9 | 0 | 0 | 0 | 0 | 107.2 | H84 | H84-S86 PolarHBondContact O-N 2.9Š|
| 87 | Q | 45 | Very low | 49.7 | Very low | 165 Ų | 165 | 136.5 Ų | 136.5 | 77% | 0.771 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -167 | 107 | 160.4 | -100 | 177.9 | 15.1 | 0 | 0 | 109.2 | | |
| 88 | Y | 43.2 | Very low | 49.5 | Very low | 194 Ų | 194 | 137.5 Ų | 137.5 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | | | trans | 61.6 | 85.4 | 152.8 | -46.4 | -70.6 | 0 | 0 | 0 | 119.6 | S90 | Y88-S90 VanDerWaalsContact C-N 3.27Å; Y88-S90 PolarHBondContact O-N 3.48Å |
| 89 | L | 46.2 | Very low | 49.7 | Very low | 180 Ų | 180 | 138.8 Ų | 138.8 | 94% | 0.942 | 79% | 0.788 | S | S | * | * | | | trans | -90.8 | 68.1 | 143 | -80.2 | 162.4 | 0 | 0 | 0 | 108.7 | G91 | L89-G91 PolarHBondContact O-N 3.26Š|
| 90 | S | 47 | Very low | 49.4 | Very low | 113 Ų | 113 | 135.8 Ų | 135.8 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | | | trans | -82.5 | 61.5 | 153 | -80.5 | 0 | 0 | 0 | 0 | 107.4 | Y88 | Y88-S90 VanDerWaalsContact C-N 3.27Å; Y88-S90 PolarHBondContact O-N 3.48Å |
| 91 | G | 42.2 | Very low | 48.8 | Very low | 57 Ų | 57 | 136.2 Ų | 136.2 | 59% | 0.588 | 78% | 0.784 | S | S | * | * | | | trans | -88.1 | 105.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | L89 G93 | L89-G91 PolarHBondContact O-N 3.26Å; G91-G93 PolarHBondContact O-N 2.78Å; G91-G93 VanDerWaalsContact O-N 3.14Å |
| 92 | T | 47.9 | Very low | 48.3 | Very low | 127 Ų | 127 | 135.4 Ų | 135.4 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | | | trans | -28.2 | 111 | 169.1 | 47.3 | 0 | 0 | 0 | 0 | 112.4 | Y94 | T92-Y94 PolarHBondContact O-N 2.97Š|
| 93 | G | 42.7 | Very low | 48.3 | Very low | 71 Ų | 71 | 130.6 Ų | 130.6 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 129.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | G91 | G91-G93 PolarHBondContact O-N 2.78Å; G91-G93 VanDerWaalsContact O-N 3.14Å |
| 94 | Y | 42.9 | Very low | 48.6 | Very low | 220 Ų | 220 | 133.2 Ų | 133.2 | 86% | 0.863 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 133.5 | 175.7 | -65.9 | -90 | 0 | 0 | 0 | 109.7 | T92 L96 | T92-Y94 PolarHBondContact O-N 2.97Å; Y94-L96 PolarHBondContact O-N 3.49Å |
| 95 | P | 54.1 | Low | 48.6 | Very low | 126 Ų | 126 | 130.4 Ų | 130.4 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 122.6 | 174.3 | 26 | -31.4 | 0 | 0 | 0 | 109 | A97 | P95-A97 PolarHBondContact O-N 3.44Š|
| 96 | L | 51 | Low | 48.5 | Very low | 163 Ų | 163 | 131.1 Ų | 131.1 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 126.9 | 171.4 | -68.9 | 169.6 | 0 | 0 | 0 | 108.1 | Y94 T98 | Y94-L96 PolarHBondContact O-N 3.49Å; L96-T98 PolarHBondContact O-N 3.46Å; L96-T98 VanDerWaalsContact O-N 3.1Å |
| 97 | A | 58.1 | Low | 48.4 | Very low | 96 Ų | 96 | 130.2 Ų | 130.2 | 79% | 0.793 | 79% | 0.792 | S | S | * | * | | | trans | -60.2 | 113.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109 | P95 V99 | P95-A97 PolarHBondContact O-N 3.44Å; A97-V99 PolarHBondContact O-N 3.43Å |
| 98 | T | 53.3 | Low | 48.4 | Very low | 136 Ų | 136 | 130.8 Ų | 130.8 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | | | trans | -69 | 117.1 | 174.1 | 47.6 | 0 | 0 | 0 | 0 | 108.5 | L96 S100 | L96-T98 PolarHBondContact O-N 3.46Å; L96-T98 VanDerWaalsContact O-N 3.1Å; T98-S100 PolarHBondContact O-N 3.37Å |
| 99 | V | 56.2 | Low | 48.5 | Very low | 140 Ų | 140 | 127.6 Ų | 127.6 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | | | trans | -73.8 | 113.5 | 171 | -162.2 | 0 | 0 | 0 | 0 | 106.3 | A97 E101 | A97-V99 PolarHBondContact O-N 3.43Å; V99-E101 PolarHBondContact O-N 3.45Å |
| 100 | S | 50.6 | Low | 48.3 | Very low | 114 Ų | 114 | 127.9 Ų | 127.9 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 118 | 173.8 | -168.9 | 0 | 0 | 0 | 0 | 108 | T98 A102 | T98-S100 PolarHBondContact O-N 3.37Å; S100-A102 PolarHBondContact O-N 3.24Å |
| 101 | E | 44.6 | Very low | 48.3 | Very low | 166 Ų | 166 | 128.4 Ų | 128.4 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 125.3 | 172.7 | -165.4 | 171.8 | 169.8 | 0 | 0 | 108.8 | V99 | V99-E101 PolarHBondContact O-N 3.45Š|
| 102 | A | 51.1 | Low | 48.4 | Very low | 79 Ų | 79 | 133.8 Ų | 133.8 | 65% | 0.653 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -74 | 139.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | S100 E104 | S100-A102 PolarHBondContact O-N 3.24Å; A102-E104 PolarHBondContact O-N 2.93Å |
| 103 | P | 51.1 | Low | 48.1 | Very low | 127 Ų | 127 | 138.2 Ų | 138.2 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 129.2 | -175.8 | 23.8 | -32.5 | 0 | 0 | 0 | 110.6 | A105 | P103-A105 PolarHBondContact O-N 3.2Š|
| 104 | E | 51.6 | Low | 48 | Very low | 168 Ų | 168 | 140 Ų | 140 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | | | trans | -58.5 | 112.3 | 175.5 | -59.1 | -139.7 | 133.6 | 0 | 0 | 109.3 | A102 S106 | A102-E104 PolarHBondContact O-N 2.93Å; E104-S106 PolarHBondContact O-N 3.48Å; E104-S106 PolarHBondContact O-OG 3.42Å |
| 105 | A | 49.7 | Very low | 48 | Very low | 107 Ų | 107 | 135.9 Ų | 135.9 | 88% | 0.884 | 80% | 0.797 | S | S | * | * | | | trans | -61.5 | 100.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | P103 | P103-A105 PolarHBondContact O-N 3.2Š|
| 106 | S | 47.7 | Very low | 47.5 | Very low | 117 Ų | 117 | 135.9 Ų | 135.9 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | trans | -80.9 | 135.8 | 176.8 | -4.7 | 0 | 0 | 0 | 0 | 108.5 | E104 | E104-S106 PolarHBondContact O-N 3.48Å; E104-S106 PolarHBondContact O-OG 3.42Å |
| 107 | G | 40.9 | Very low | 47.3 | Very low | 69 Ų | 69 | 131.7 Ų | 131.7 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | | | trans | 95.8 | 92.4 | 157.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | D109 | G107-D109 PolarHBondContact O-N 3.38Å; G107-D109 VanDerWaalsContact O-N 3.08Å |
| 108 | L | 44.4 | Very low | 46.2 | Very low | 176 Ų | 176 | 130.7 Ų | 130.7 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | | | trans | -69.6 | 86.4 | 148.9 | -67.9 | 167 | 0 | 0 | 0 | 106.7 | | |
| 109 | D | 44.4 | Very low | 45.8 | Very low | 128 Ų | 128 | 129.1 Ų | 129.1 | 68% | 0.684 | 77% | 0.768 | S | S | * | * | | | trans | -101.6 | 91 | 166.4 | -158.7 | 59.8 | 0 | 0 | 0 | 106.4 | G107 D111 | G107-D109 PolarHBondContact O-N 3.38Å; G107-D109 VanDerWaalsContact O-N 3.08Å; D109-D111 PolarHBondContact O-N 3.24Å |
| 110 | E | 42.9 | Very low | 45.3 | Very low | 186 Ų | 186 | 130.3 Ų | 130.3 | 87% | 0.869 | 77% | 0.77 | S | S | * | * | | | trans | -76.2 | 65.6 | 171.3 | -63.9 | -164.3 | 111 | 0 | 0 | 108.6 | | |
| 111 | D | 46.7 | Very low | 45 | Very low | 123 Ų | 123 | 132.3 Ų | 132.3 | 66% | 0.658 | 77% | 0.766 | S | S | * | * | | | trans | -106.2 | 112.2 | 169.6 | -92.9 | -50.6 | 0 | 0 | 0 | 110.5 | D109 | D109-D111 PolarHBondContact O-N 3.24Š|
| 112 | E | 43.9 | Very low | 45 | Very low | 171 Ų | 171 | 131.7 Ų | 131.7 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | | | trans | -28.5 | 146.5 | 169.3 | -58.7 | -178.7 | 73.8 | 0 | 0 | 115.9 | | |
| 113 | R | 41.5 | Very low | 44.7 | Very low | 219 Ų | 219 | 136 Ų | 136 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | | | trans | 104.6 | 93.4 | 134.6 | -150.1 | 158.1 | -176.6 | 175.4 | -0.4 | 117.5 | | |
| 114 | S | 40.8 | Very low | 44.7 | Very low | 108 Ų | 108 | 135.3 Ų | 135.3 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | | | | 59.3 | 91.3 | 129 | -53.3 | 0 | 0 | 0 | 0 | 118.2 | | |
| 115 | V | 43.9 | Very low | 44.6 | Very low | 135 Ų | 135 | 130.9 Ų | 130.9 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | | | trans | -130.5 | 102.4 | 145.3 | -169.2 | 0 | 0 | 0 | 0 | 108.9 | S117 | V115-S117 PolarHBondContact O-N 3.1Š|
| 116 | S | 42.9 | Very low | 44.8 | Very low | 125 Ų | 125 | 129.7 Ų | 129.7 | 87% | 0.874 | 75% | 0.751 | S | S | * | * | | | trans | -55.8 | 97.9 | 161.2 | 162.5 | 0 | 0 | 0 | 0 | 108.9 | | |
| 117 | S | 46.9 | Very low | 45 | Very low | 76 Ų | 76 | 132.9 Ų | 132.9 | 53% | 0.531 | 75% | 0.753 | S | S | . | * | | | trans | -115.6 | 86.9 | 167.8 | 158.6 | 0 | 0 | 0 | 0 | 107.1 | V115 I119 | V115-S117 PolarHBondContact O-N 3.1Å; S117-I119 PolarHBondContact O-N 3.23Å; S117-I119 VanDerWaalsContact OG-CD1 3.28Å; S117-I119 WeakPolarHBondContact OG-CD1 3.45Å; S117-I119 WeakPolarHBondContact OG-CG1 3.28Å |
| 118 | G | 35.8 | Very low | 45.3 | Very low | 74 Ų | 74 | 135.5 Ų | 135.5 | 76% | 0.763 | 76% | 0.755 | S | S | * | * | | | trans | -63.2 | 91.7 | 160.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 119 | I | 44.9 | Very low | 45.9 | Very low | 104 Ų | 104 | 131.9 Ų | 131.9 | 53% | 0.533 | 74% | 0.742 | S | S | . | * | | | trans | -120.1 | 98.4 | 169.1 | -79.8 | 174.4 | 0 | 0 | 0 | 104.6 | S117 Q121 | S117-I119 PolarHBondContact O-N 3.23Å; S117-I119 VanDerWaalsContact OG-CD1 3.28Å; S117-I119 WeakPolarHBondContact OG-CD1 3.45Å; S117-I119 WeakPolarHBondContact OG-CG1 3.28Å; I119-Q121 HydrophobicContact CG2-CB 4.02Å; I119-Q121 HydrophobicContact CG2-CG 3.53Å; I119-Q121 PolarHBondContact O-N 3.15Å |
| 120 | D | 44.5 | Very low | 46.5 | Very low | 165 Ų | 165 | 130.8 Ų | 130.8 | 88% | 0.882 | 74% | 0.742 | S | S | * | * | | | trans | -53.3 | 84.1 | 160.9 | -66.4 | -62.5 | 0 | 0 | 0 | 108.9 | | |
| 121 | Q | 45.2 | Very low | 47.1 | Very low | 155 Ų | 155 | 127.4 Ų | 127.4 | 72% | 0.724 | 74% | 0.736 | S | S | * | * | | | trans | -116.6 | 88.8 | 168.6 | -88.7 | -175 | 56.6 | 0 | 0 | 108.5 | I119 E123 | I119-Q121 HydrophobicContact CG2-CB 4.02Å; I119-Q121 HydrophobicContact CG2-CG 3.53Å; I119-Q121 PolarHBondContact O-N 3.15Å; Q121-E123 PolarHBondContact O-N 3.36Å |
| 122 | I | 44.5 | Very low | 47.7 | Very low | 153 Ų | 153 | 127.2 Ų | 127.2 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | | | | 31.4 | 89 | 129.5 | -53.9 | 157.1 | 0 | 0 | 0 | 111.6 | P124 | I122-P124 WeakPolarHBondContact O-CD 3.23Å; I122-P124 VanDerWaalsContact O-N 3.08Å |
| 123 | E | 45.1 | Very low | 48.3 | Very low | 171 Ų | 171 | 127.3 Ų | 127.3 | 80% | 0.799 | 74% | 0.739 | S | S | * | * | | | trans | -56.4 | 113.5 | 166.3 | -172.2 | -174.7 | 156.7 | 0 | 0 | 107.7 | Q121 A125 | Q121-E123 PolarHBondContact O-N 3.36Å; E123-A125 VanDerWaalsContact C-N 3.25Å; E123-A125 PolarHBondContact O-N 3.14Å |
| 124 | P | 49.5 | Very low | 49.1 | Very low | 111 Ų | 111 | 121.6 Ų | 121.6 | 72% | 0.721 | 73% | 0.725 | S | S | * | * | | | trans | -71.5 | 96.8 | 168 | 28.7 | -26 | 0 | 0 | 0 | 105 | I122 A126 | I122-P124 WeakPolarHBondContact O-CD 3.23Å; I122-P124 VanDerWaalsContact O-N 3.08Å; P124-A126 PolarHBondContact O-N 3.18Å |
| 125 | A | 50.6 | Low | 50.3 | Low | 76 Ų | 76 | 120.5 Ų | 120.5 | 63% | 0.628 | 71% | 0.714 | S | S | * | * | | | trans | -63.5 | 76.6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | E123 Q127 | E123-A125 VanDerWaalsContact C-N 3.25Å; E123-A125 PolarHBondContact O-N 3.14Å; A125-Q127 PolarHBondContact O-N 3.48Å |
| 126 | A | 53.6 | Low | 51.1 | Low | 81 Ų | 81 | 121.8 Ų | 121.8 | 67% | 0.669 | 71% | 0.711 | S | S | * | * | | | trans | -58.3 | 97 | 159.6 | 0 | 0 | 0 | 0 | 0 | 103.8 | P124 V128 | P124-A126 PolarHBondContact O-N 3.18Å; A126-V128 PolarHBondContact O-N 3.29Å |
| 127 | Q | 52.6 | Low | 51.9 | Low | 184 Ų | 184 | 124.2 Ų | 124.2 | 86% | 0.86 | 71% | 0.706 | S | S | * | * | | | trans | -59.2 | 88 | 172 | -72.5 | -179.9 | 4.9 | 0 | 0 | 106.3 | A125 P129 | A125-Q127 PolarHBondContact O-N 3.48Å; Q127-P129 VanDerWaalsContact O-CD 3.23Å; Q127-P129 WeakPolarHBondContact O-CD 3.39Å; Q127-P129 VanDerWaalsContact O-N 3.14Å |
| 128 | V | 47.5 | Very low | 52.7 | Low | 124 Ų | 124 | 125.5 Ų | 125.5 | 75% | 0.752 | 70% | 0.703 | S | S | * | * | | | trans | -61.7 | 115.2 | 166.6 | 178.4 | 0 | 0 | 0 | 0 | 104 | A126 | A126-V128 PolarHBondContact O-N 3.29Š|
| 129 | P | 56.9 | Low | 53.9 | Low | 101 Ų | 101 | 126.5 Ų | 126.5 | 66% | 0.656 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 136 | 177.3 | 20.9 | -29.3 | 0 | 0 | 0 | 107.7 | Q127 | Q127-P129 VanDerWaalsContact O-CD 3.23Å; Q127-P129 WeakPolarHBondContact O-CD 3.39Å; Q127-P129 VanDerWaalsContact O-N 3.14Å |
| 130 | P | 56.3 | Low | 54.6 | Low | 105 Ų | 105 | 129 Ų | 129 | 68% | 0.682 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 142 | -178.5 | 22.5 | -32.4 | 0 | 0 | 0 | 108.9 | V132 | P130-V132 PolarHBondContact O-N 3.07Š|
| 131 | P | 55.1 | Low | 55.5 | Low | 114 Ų | 114 | 128.1 Ų | 128.1 | 74% | 0.74 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -52 | 120.3 | 175.7 | 22 | -31.7 | 0 | 0 | 0 | 107.7 | E133 | P131-E133 PolarHBondContact O-N 3.32Š|
| 132 | V | 59.5 | Low | 56.2 | Low | 119 Ų | 119 | 130.7 Ų | 130.7 | 72% | 0.721 | 69% | 0.691 | S | S | * | * | | | trans | -68.9 | 90.9 | 175.6 | -177.4 | 0 | 0 | 0 | 0 | 105.7 | P130 L134 | P130-V132 PolarHBondContact O-N 3.07Å; V132-L134 HydrophobicContact CG1-CD2 3.62Å; V132-L134 HydrophobicContact CG1-CG 3.84Å; V132-L134 PolarHBondContact O-N 3.41Å |
| 133 | E | 57.2 | Low | 57 | Low | 173 Ų | 173 | 127.7 Ų | 127.7 | 81% | 0.808 | 68% | 0.676 | S | S | * | * | | | trans | -65.2 | 85 | 164.4 | -72.6 | -170.8 | 168.7 | 0 | 0 | 106.9 | P131 T135 | P131-E133 PolarHBondContact O-N 3.32Å; E133-T135 VanDerWaalsContact C-N 3.25Å; E133-T135 PolarHBondContact O-N 3.38Å |
| 134 | L | 58 | Low | 57.6 | Low | 100 Ų | 100 | 123 Ų | 123 | 52% | 0.524 | 66% | 0.662 | S | S | . | * | | | trans | -62.6 | 97.3 | 167.7 | -69.4 | 175.5 | 0 | 0 | 0 | 106.3 | V132 E136 | V132-L134 HydrophobicContact CG1-CD2 3.62Å; V132-L134 HydrophobicContact CG1-CG 3.84Å; V132-L134 PolarHBondContact O-N 3.41Å; L134-E136 PolarHBondContact O-N 3.25Å |
| 135 | T | 65.3 | Low | 57.9 | Low | 84 Ų | 84 | 119.6 Ų | 119.6 | 52% | 0.515 | 65% | 0.647 | S | S | . | * | | | trans | -48.5 | 137.8 | 173.6 | 55.8 | 0 | 0 | 0 | 0 | 109.1 | E133 K137 Q138 | E133-T135 VanDerWaalsContact C-N 3.25Å; E133-T135 PolarHBondContact O-N 3.38Å; T135-K137 PolarHBondContact O-N 2.98Å; T135-Q138 PolarHBondContact O-N 3.18Å |
| 136 | E | 62.2 | Low | 58.2 | Low | 163 Ų | 163 | 121.2 Ų | 121.2 | 76% | 0.762 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -49.1 | -25.3 | -177 | -61.9 | -178.5 | 165.3 | 0 | 0 | 113.4 | L134 L139 K140 | L134-E136 PolarHBondContact O-N 3.25Å; E136-L139 PolarHBondContact O-N 3.26Å; E136-K140 PolarHBondContact O-N 2.74Å |
| 137 | K | 58.8 | Low | 58.3 | Low | 176 Ų | 176 | 122.8 Ų | 122.8 | 77% | 0.765 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -60.5 | -46.8 | 174.3 | -64.5 | -175.2 | 178.6 | 179.4 | 0 | 112.8 | T135 L139 K140 E141 | T135-K137 PolarHBondContact O-N 2.98Å; K137-L139 VanDerWaalsContact C-N 3.29Å; K137-L139 PolarHBondContact O-N 3.31Å; K137-K140 PolarHBondContact O-N 3.07Å; K137-E141 PolarHBondContact O-N 2.94Å; K137-E141 VanDerWaalsContact O-N 3.09Å |
| 138 | Q | 62.9 | Low | 58.5 | Low | 103 Ų | 103 | 119 Ų | 119 | 48% | 0.481 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -67.4 | -34.1 | 177.9 | -69 | -167.1 | -34.2 | 0 | 0 | 111.9 | T135 E141 R142 | T135-Q138 PolarHBondContact O-N 3.18Å; Q138-E141 PolarHBondContact O-N 3.26Å; Q138-R142 PolarHBondContact O-N 3.48Å; Q138-R142 VanDerWaalsContact O-N 3.1Å |
| 139 | L | 61.3 | Low | 58.7 | Low | 94 Ų | 94 | 118.3 Ų | 118.3 | 49% | 0.492 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -69.6 | -43.4 | 179.2 | -148.9 | 143.8 | 0 | 0 | 0 | 110.9 | E136 K137 R142 L143 | E136-L139 PolarHBondContact O-N 3.26Å; K137-L139 VanDerWaalsContact C-N 3.29Å; K137-L139 PolarHBondContact O-N 3.31Å; L139-R142 PolarHBondContact O-N 3.08Å; L139-L143 HydrophobicContact CD2-CD1 3.59Å; L139-L143 HydrophobicContact CD2-CG 4.17Å; L139-L143 WeakPolarHBondContact O-CB 3.33Å; L139-L143 WeakPolarHBondContact O-CG 3.47Å; L139-L143 PolarHBondContact O-N 3.37Å |
| 140 | K | 60.5 | Low | 58.5 | Low | 156 Ų | 156 | 115.8 Ų | 115.8 | 68% | 0.678 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -60.4 | -44.3 | 172.4 | -87.3 | -175.5 | 178.3 | 173.7 | 0 | 112.7 | E136 K137 R142 L143 S144 | E136-K140 PolarHBondContact O-N 2.74Å; K137-K140 PolarHBondContact O-N 3.07Å; K140-R142 PolarHBondContact O-N 3.21Å; K140-L143 PolarHBondContact O-N 3.28Å; K140-S144 WeakPolarHBondContact O-CB 3.47Å; K140-S144 PolarHBondContact O-N 3.12Å |
| 141 | E | 64 | Low | 58.3 | Low | 147 Ų | 147 | 116.5 Ų | 116.5 | 69% | 0.687 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -62.5 | -44.5 | -178.9 | -158 | 169.6 | -155.5 | 0 | 0 | 111 | K137 Q138 S144 G145 | K137-E141 PolarHBondContact O-N 2.94Å; K137-E141 VanDerWaalsContact O-N 3.09Å; Q138-E141 PolarHBondContact O-N 3.26Å; E141-S144 PolarHBondContact O-N 3.42Å; E141-S144 PolarHBondContact O-OG 3.08Å; E141-G145 PolarHBondContact O-N 3.41Å |
| 142 | R | 58.1 | Low | 58.1 | Low | 209 Ų | 209 | 119.5 Ų | 119.5 | 79% | 0.789 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.5 | -43.3 | 173.8 | -75.2 | -136.3 | 179.2 | -173.3 | 1.7 | 113.6 | Q138 L139 K140 S144 G145 | Q138-R142 PolarHBondContact O-N 3.48Å; Q138-R142 VanDerWaalsContact O-N 3.1Å; L139-R142 PolarHBondContact O-N 3.08Å; K140-R142 PolarHBondContact O-N 3.21Å; R142-S144 VanDerWaalsContact C-N 3.34Å; R142-S144 PolarHBondContact O-N 2.83Å; R142-G145 PolarHBondContact O-N 3.02Å |
| 143 | L | 61.3 | Low | 57.7 | Low | 90 Ų | 90 | 119.7 Ų | 119.7 | 47% | 0.471 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -67.3 | -35.2 | 179.6 | -72.5 | 178.4 | 0 | 0 | 0 | 112.4 | L139 K140 G145 I146 L147 | L139-L143 HydrophobicContact CD2-CD1 3.59Å; L139-L143 HydrophobicContact CD2-CG 4.17Å; L139-L143 WeakPolarHBondContact O-CB 3.33Å; L139-L143 WeakPolarHBondContact O-CG 3.47Å; L139-L143 PolarHBondContact O-N 3.37Å; K140-L143 PolarHBondContact O-N 3.28Å; L143-G145 VanDerWaalsContact C-N 3.3Å; L143-G145 PolarHBondContact O-N 3.08Å; L143-I146 PolarHBondContact O-N 2.85Å; L143-L147 PolarHBondContact O-N 2.91Å; L143-L147 VanDerWaalsContact O-N 3.1Å |
| 144 | S | 58 | Low | 57.4 | Low | 73 Ų | 73 | 120.5 Ų | 120.5 | 51% | 0.51 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.6 | -38.1 | 178.6 | 75.4 | 0 | 0 | 0 | 0 | 112.4 | K140 E141 R142 N148 | K140-S144 WeakPolarHBondContact O-CB 3.47Å; K140-S144 PolarHBondContact O-N 3.12Å; E141-S144 PolarHBondContact O-N 3.42Å; E141-S144 PolarHBondContact O-OG 3.08Å; R142-S144 VanDerWaalsContact C-N 3.34Å; R142-S144 PolarHBondContact O-N 2.83Å; S144-N148 PolarHBondContact O-N 3.45Å |
| 145 | G | 55.9 | Low | 57.2 | Low | 39 Ų | 39 | 126 Ų | 126 | 40% | 0.402 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -64.4 | -40.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | E141 R142 L143 N148 L149 | E141-G145 PolarHBondContact O-N 3.41Å; R142-G145 PolarHBondContact O-N 3.02Å; L143-G145 VanDerWaalsContact C-N 3.3Å; L143-G145 PolarHBondContact O-N 3.08Å; G145-N148 PolarHBondContact O-N 2.93Å; G145-L149 PolarHBondContact O-N 2.83Å |
| 146 | I | 57.3 | Low | 56.5 | Low | 110 Ų | 110 | 126.2 Ų | 126.2 | 56% | 0.564 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -67.8 | -43.6 | 179.8 | -61.8 | 169.9 | 0 | 0 | 0 | 110.9 | L143 N148 L149 S150 | L143-I146 PolarHBondContact O-N 2.85Å; I146-N148 VanDerWaalsContact C-N 3.3Å; I146-N148 PolarHBondContact O-N 3.05Å; I146-L149 PolarHBondContact O-N 3.06Å; I146-S150 PolarHBondContact O-N 3.11Å |
| 147 | L | 56.5 | Low | 55.6 | Low | 114 Ų | 114 | 119.4 Ų | 119.4 | 60% | 0.597 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -63.9 | -36 | 180 | -70.3 | 172.4 | 0 | 0 | 0 | 111.9 | L143 L149 S150 Q151 | L143-L147 PolarHBondContact O-N 2.91Å; L143-L147 VanDerWaalsContact O-N 3.1Å; L147-L149 PolarHBondContact O-N 3.04Å; L147-S150 PolarHBondContact O-N 3.46Å; L147-S150 PolarHBondContact O-OG 2.78Å; L147-Q151 PolarHBondContact O-N 3.45Å |
| 148 | N | 56.5 | Low | 55.5 | Low | 105 Ų | 105 | 117.1 Ų | 117.1 | 56% | 0.561 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63.6 | -40.3 | 177.6 | -166.9 | -1.8 | 0 | 0 | 0 | 112.3 | S144 G145 I146 S150 Q151 R152 | S144-N148 PolarHBondContact O-N 3.45Å; G145-N148 PolarHBondContact O-N 2.93Å; I146-N148 VanDerWaalsContact C-N 3.3Å; I146-N148 PolarHBondContact O-N 3.05Å; N148-S150 VanDerWaalsContact C-N 3.33Å; N148-S150 PolarHBondContact O-N 2.84Å; N148-Q151 PolarHBondContact O-N 3.03Å; N148-R152 PolarHBondContact O-N 3.15Å |
| 149 | L | 51 | Low | 54.8 | Low | 110 Ų | 110 | 121.1 Ų | 121.1 | 58% | 0.576 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63 | -39.7 | 175.9 | -65.7 | 175.2 | 0 | 0 | 0 | 112.1 | G145 I146 L147 Q151 R152 L153 | G145-L149 PolarHBondContact O-N 2.83Å; I146-L149 PolarHBondContact O-N 3.06Å; L147-L149 PolarHBondContact O-N 3.04Å; L149-Q151 VanDerWaalsContact C-N 3.32Å; L149-Q151 PolarHBondContact O-N 3.42Å; L149-R152 PolarHBondContact O-N 2.82Å; L149-L153 WeakPolarHBondContact O-CG 3.5Å; L149-L153 PolarHBondContact O-N 3.28Å |
| 150 | S | 53.2 | Low | 54.2 | Low | 47 Ų | 47 | 118.2 Ų | 118.2 | 33% | 0.329 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.8 | -35.3 | 179.5 | 79.4 | 0 | 0 | 0 | 0 | 112.7 | I146 L147 N148 R154 | I146-S150 PolarHBondContact O-N 3.11Å; L147-S150 PolarHBondContact O-N 3.46Å; L147-S150 PolarHBondContact O-OG 2.78Å; N148-S150 VanDerWaalsContact C-N 3.33Å; N148-S150 PolarHBondContact O-N 2.84Å; S150-R154 PolarHBondContact O-N 2.87Å |
| 151 | Q | 52.8 | Low | 53.5 | Low | 121 Ų | 121 | 115.2 Ų | 115.2 | 57% | 0.565 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -72.7 | -39.6 | 175.5 | -72.5 | -174.5 | 3.9 | 0 | 0 | 111.9 | L147 N148 L149 L153 R154 R155 | L147-Q151 PolarHBondContact O-N 3.45Å; N148-Q151 PolarHBondContact O-N 3.03Å; L149-Q151 VanDerWaalsContact C-N 3.32Å; L149-Q151 PolarHBondContact O-N 3.42Å; Q151-L153 VanDerWaalsContact C-N 3.31Å; Q151-L153 PolarHBondContact O-N 2.64Å; Q151-R154 WeakPolarHBondContact O-CB 3.46Å; Q151-R154 PolarHBondContact O-N 3.25Å; Q151-R154 VanDerWaalsContact O-N 3.12Å; Q151-R155 PolarHBondContact O-N 2.85Å |
| 152 | R | 51 | Low | 52.6 | Low | 177 Ų | 177 | 114 Ų | 114 | 67% | 0.668 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -62.9 | -39.8 | 179.4 | -155.7 | 171 | 170 | -171.6 | -3.9 | 111.3 | N148 L149 R154 R155 S156 | N148-R152 PolarHBondContact O-N 3.15Å; L149-R152 PolarHBondContact O-N 2.82Å; R152-R154 VanDerWaalsContact C-N 3.31Å; R152-R154 PolarHBondContact O-N 2.76Å; R152-R155 CarbonylContact O-C 3.56Å; R152-R155 PolarHBondContact O-N 2.98Å; R152-S156 PolarHBondContact O-N 2.95Å; R152-S156 PolarHBondContact O-OG 3.15Å; R152-S156 VanDerWaalsContact O-OG 3.08Å |
| 153 | L | 50 | Low | 52.2 | Low | 123 Ų | 123 | 111 Ų | 111 | 64% | 0.644 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -63.5 | -32.5 | 174.1 | -70.3 | 173 | 0 | 0 | 0 | 113.5 | L149 Q151 R155 G157 | L149-L153 WeakPolarHBondContact O-CG 3.5Å; L149-L153 PolarHBondContact O-N 3.28Å; Q151-L153 VanDerWaalsContact C-N 3.31Å; Q151-L153 PolarHBondContact O-N 2.64Å; L153-R155 VanDerWaalsContact C-N 3.28Å; L153-R155 PolarHBondContact O-N 3.09Å; L153-G157 WeakPolarHBondContact O-CA 3.06Å; L153-G157 PolarHBondContact O-N 3Å |
| 154 | R | 52.1 | Low | 51.6 | Low | 189 Ų | 189 | 110.7 Ų | 110.7 | 71% | 0.713 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -68.2 | -27.7 | 173.1 | -64.9 | -176.6 | -156.3 | 179.5 | 5.1 | 112.7 | S150 Q151 R152 A160 | S150-R154 PolarHBondContact O-N 2.87Å; Q151-R154 WeakPolarHBondContact O-CB 3.46Å; Q151-R154 PolarHBondContact O-N 3.25Å; Q151-R154 VanDerWaalsContact O-N 3.12Å; R152-R154 VanDerWaalsContact C-N 3.31Å; R152-R154 PolarHBondContact O-N 2.76Å; R154-A160 WeakPolarHBondContact O-CB 3.38Å |
| 155 | R | 51.7 | Low | 50.9 | Low | 215 Ų | 215 | 110.4 Ų | 110.4 | 81% | 0.811 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -98.3 | -18.7 | -179.2 | -77.5 | -166.4 | 161.6 | 141.4 | -2.1 | 115.2 | Q151 R152 L153 A160 | Q151-R155 PolarHBondContact O-N 2.85Å; R152-R155 CarbonylContact O-C 3.56Å; R152-R155 PolarHBondContact O-N 2.98Å; L153-R155 VanDerWaalsContact C-N 3.28Å; L153-R155 PolarHBondContact O-N 3.09Å; R155-A160 WeakPolarHBondContact O-CB 3.16Å |
| 156 | S | 51.7 | Low | 50.4 | Low | 89 Ų | 89 | 118.3 Ų | 118.3 | 62% | 0.622 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -122 | 13.3 | 178.2 | 71.7 | 0 | 0 | 0 | 0 | 114 | R152 | R152-S156 PolarHBondContact O-N 2.95Å; R152-S156 PolarHBondContact O-OG 3.15Å; R152-S156 VanDerWaalsContact O-OG 3.08Å |
| 157 | G | 43.6 | Very low | 50 | Low | 20 Ų | 20 | 124.9 Ų | 124.9 | 21% | 0.206 | 64% | 0.638 | C | S | . | * | S | Bend | trans | -82 | 164.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L153 F159 A160 | L153-G157 WeakPolarHBondContact O-CA 3.06Å; L153-G157 PolarHBondContact O-N 3Å; G157-F159 PolarHBondContact O-N 3.15Å; G157-A160 WeakPolarHBondContact O-CB 3.48Å; G157-A160 PolarHBondContact O-N 3.36Å |
| 158 | P | 55.9 | Low | 49.8 | Very low | 129 Ų | 129 | 127.5 Ų | 127.5 | 84% | 0.838 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | -12.9 | 172.9 | 26.1 | -34.4 | 0 | 0 | 0 | 113.6 | | |
| 159 | F | 48.2 | Very low | 49.5 | Very low | 186 Ų | 186 | 127.4 Ų | 127.4 | 82% | 0.816 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | 2.2 | 172.3 | -56 | -74.1 | 0 | 0 | 0 | 113.7 | G157 S161 | G157-F159 PolarHBondContact O-N 3.15Å; F159-S161 PolarHBondContact O-N 3.28Å |
| 160 | A | 48.5 | Very low | 49.4 | Very low | 34 Ų | 34 | 130.4 Ų | 130.4 | 28% | 0.281 | 66% | 0.661 | S | S | . | * | | | trans | -71.5 | 68.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | R154 R155 G157 D162 | R154-A160 WeakPolarHBondContact O-CB 3.38Å; R155-A160 WeakPolarHBondContact O-CB 3.16Å; G157-A160 WeakPolarHBondContact O-CB 3.48Å; G157-A160 PolarHBondContact O-N 3.36Å; A160-D162 PolarHBondContact O-N 2.9Å |
| 161 | S | 45.9 | Very low | 49.2 | Very low | 92 Ų | 92 | 133.5 Ų | 133.5 | 64% | 0.643 | 68% | 0.683 | S | S | * | * | | | trans | -59.5 | 97.9 | 169.7 | -60.3 | 0 | 0 | 0 | 0 | 105.5 | F159 T163 | F159-S161 PolarHBondContact O-N 3.28Å; S161-T163 PolarHBondContact O-N 3Å |
| 162 | D | 45.8 | Very low | 49 | Very low | 123 Ų | 123 | 132.6 Ų | 132.6 | 66% | 0.658 | 69% | 0.687 | S | S | * | * | | | trans | -50.8 | 100.8 | 157 | -165 | -13 | 0 | 0 | 0 | 105.8 | A160 S164 | A160-D162 PolarHBondContact O-N 2.9Å; D162-S164 PolarHBondContact O-N 2.79Å; D162-S164 VanDerWaalsContact O-N 3.15Å; D162-S164 WeakPolarHBondContact OD1-CB 3.35Å; D162-S164 PolarHBondContact OD1-N 2.83Å; D162-S164 VanDerWaalsContact OD1-N 3.15Å; D162-S164 PolarHBondContact OD1-OG 3.11Å |
| 163 | T | 49.5 | Very low | 48.8 | Very low | 145 Ų | 145 | 129.9 Ų | 129.9 | 89% | 0.89 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -70.1 | -1.8 | 177.7 | 47.7 | 0 | 0 | 0 | 0 | 110.7 | S161 | S161-T163 PolarHBondContact O-N 3Š|
| 164 | S | 49 | Very low | 48.8 | Very low | 83 Ų | 83 | 130.5 Ų | 130.5 | 58% | 0.58 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -102.8 | 99.3 | 173.7 | 76.7 | 0 | 0 | 0 | 0 | 111.1 | D162 | D162-S164 PolarHBondContact O-N 2.79Å; D162-S164 VanDerWaalsContact O-N 3.15Å; D162-S164 WeakPolarHBondContact OD1-CB 3.35Å; D162-S164 PolarHBondContact OD1-N 2.83Å; D162-S164 VanDerWaalsContact OD1-N 3.15Å; D162-S164 PolarHBondContact OD1-OG 3.11Å |
| 165 | G | 42.3 | Very low | 48.4 | Very low | 67 Ų | 67 | 124.9 Ų | 124.9 | 69% | 0.691 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 82.3 | 72.6 | 149.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 166 | R | 45.5 | Very low | 48.4 | Very low | 205 Ų | 205 | 121.9 Ų | 121.9 | 77% | 0.774 | 70% | 0.699 | S | S | * | * | | | | -161 | 106.3 | 129 | -108.1 | 165 | -157.7 | -128.3 | 4.8 | 108.7 | F168 | R166-F168 HydrophobicContact CB-CD2 4.09Å; R166-F168 HydrophobicContact CB-CE2 3.75Å; R166-F168 HydrophobicContact CB-CZ 4.01Å; R166-F168 VanDerWaalsContact O-CD2 3.26Å; R166-F168 WeakPolarHBondContact O-CD2 3.26Å; R166-F168 PolarHBondContact O-N 3.01Å |
| 167 | R | 50.1 | Low | 48 | Very low | 248 Ų | 248 | 128.4 Ų | 128.4 | 94% | 0.936 | 71% | 0.709 | S | S | * | * | | | trans | -59.8 | 87.4 | 161.7 | -67.6 | -179.7 | 178.3 | -177.6 | -0.2 | 106.9 | S169 | R167-S169 PolarHBondContact O-N 2.74Š|
| 168 | F | 51.7 | Low | 48 | Very low | 169 Ų | 169 | 135 Ų | 135 | 74% | 0.741 | 74% | 0.739 | S | S | * | * | | | trans | -67.8 | 88.3 | 169.8 | -72.3 | -78.6 | 0 | 0 | 0 | 107.1 | R166 K170 | R166-F168 HydrophobicContact CB-CD2 4.09Å; R166-F168 HydrophobicContact CB-CE2 3.75Å; R166-F168 HydrophobicContact CB-CZ 4.01Å; R166-F168 VanDerWaalsContact O-CD2 3.26Å; R166-F168 WeakPolarHBondContact O-CD2 3.26Å; R166-F168 PolarHBondContact O-N 3.01Å; F168-K170 PolarHBondContact O-N 2.78Å; F168-K170 VanDerWaalsContact O-N 3.11Å |
| 169 | S | 49.6 | Very low | 47.5 | Very low | 104 Ų | 104 | 134 Ų | 134 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | | | trans | -74.6 | 15 | 176.1 | 56.1 | 0 | 0 | 0 | 0 | 113.3 | R167 | R167-S169 PolarHBondContact O-N 2.74Š|
| 170 | K | 49.4 | Very low | 47.1 | Very low | 173 Ų | 173 | 130.6 Ų | 130.6 | 75% | 0.752 | 73% | 0.734 | S | S | * | * | | | trans | -135.3 | 90.6 | 177 | -73.2 | 117.8 | 178.1 | -169.3 | 0 | 108 | F168 P172 | F168-K170 PolarHBondContact O-N 2.78Å; F168-K170 VanDerWaalsContact O-N 3.11Å; K170-P172 WeakPolarHBondContact O-CD 3.43Å |
| 171 | S | 49.7 | Very low | 46.9 | Very low | 111 Ų | 111 | 132.8 Ų | 132.8 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | | | trans | -56.9 | 120.3 | 161.5 | -55.9 | 0 | 0 | 0 | 0 | 106.9 | S173 | S171-S173 PolarHBondContact O-N 3.02Š|
| 172 | P | 48.1 | Very low | 46.6 | Very low | 103 Ų | 103 | 133.6 Ų | 133.6 | 67% | 0.669 | 75% | 0.753 | S | S | * | * | | | trans | -63.1 | 116.5 | 174.3 | 25.7 | -29.2 | 0 | 0 | 0 | 106.3 | K170 L174 | K170-P172 WeakPolarHBondContact O-CD 3.43Å; P172-L174 HydrophobicContact CB-CG 4.39Å; P172-L174 PolarHBondContact O-N 3.49Å |
| 173 | S | 45.7 | Very low | 46.5 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | | | trans | -67.1 | 73.5 | 165.6 | 59.4 | 0 | 0 | 0 | 0 | 107.3 | S171 G175 | S171-S173 PolarHBondContact O-N 3.02Å; S173-G175 PolarHBondContact O-N 2.67Å |
| 174 | L | 50.1 | Low | 46.3 | Very low | 137 Ų | 137 | 132.8 Ų | 132.8 | 72% | 0.717 | 75% | 0.754 | S | S | * | * | | | trans | -61.5 | 109.6 | 163.7 | -70.4 | 173.9 | 0 | 0 | 0 | 104.3 | P172 L176 | P172-L174 HydrophobicContact CB-CG 4.39Å; P172-L174 PolarHBondContact O-N 3.49Å; L174-L176 PolarHBondContact O-N 2.7Å |
| 175 | G | 45 | Very low | 45.9 | Very low | 70 Ų | 70 | 132.1 Ų | 132.1 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | | | trans | -61.7 | 78.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | S173 R177 | S173-G175 PolarHBondContact O-N 2.67Å; G175-R177 PolarHBondContact O-N 3.07Å |
| 176 | L | 50.3 | Low | 45.8 | Very low | 153 Ų | 153 | 132.8 Ų | 132.8 | 80% | 0.801 | 76% | 0.755 | S | S | * | * | | | trans | -65.2 | 80.3 | 158.6 | -62.5 | 178.9 | 0 | 0 | 0 | 105.1 | L174 L178 | L174-L176 PolarHBondContact O-N 2.7Å; L176-L178 PolarHBondContact O-N 2.97Å; L176-L178 VanDerWaalsContact O-N 3.07Å |
| 177 | R | 44.2 | Very low | 45.9 | Very low | 225 Ų | 225 | 128.4 Ų | 128.4 | 85% | 0.849 | 75% | 0.753 | S | S | * | * | | | trans | -48.9 | 120.1 | 154.4 | -65.6 | -172.9 | -167.8 | 167.2 | 3.8 | 104.2 | G175 C179 | G175-R177 PolarHBondContact O-N 3.07Å; R177-C179 PolarHBondContact O-N 2.84Å |
| 178 | L | 43.5 | Very low | 45.7 | Very low | 158 Ų | 158 | 127.2 Ų | 127.2 | 83% | 0.827 | 75% | 0.748 | S | S | * | * | | | trans | -58.2 | 89.4 | 177.9 | -74.2 | 88 | 0 | 0 | 0 | 107.9 | L176 S180 | L176-L178 PolarHBondContact O-N 2.97Å; L176-L178 VanDerWaalsContact O-N 3.07Å; L178-S180 PolarHBondContact O-N 3.25Å |
| 179 | C | 45.1 | Very low | 45.2 | Very low | 109 Ų | 109 | 121.8 Ų | 121.8 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | | | trans | -74 | 84.9 | 158.5 | -74.3 | 0 | 0 | 0 | 0 | 105.1 | R177 S181 | R177-C179 PolarHBondContact O-N 2.84Å; C179-S181 PolarHBondContact O-N 3.44Å |
| 180 | S | 40.9 | Very low | 45 | Very low | 115 Ų | 115 | 126.3 Ų | 126.3 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | | | trans | -62.7 | 79.3 | 161.6 | -64.3 | 0 | 0 | 0 | 0 | 107.9 | L178 | L178-S180 PolarHBondContact O-N 3.25Š|
| 181 | S | 43.3 | Very low | 44.7 | Very low | 80 Ų | 80 | 128.5 Ų | 128.5 | 56% | 0.559 | 75% | 0.75 | S | S | * | * | | | trans | -141 | 102.5 | 167.9 | 68 | 0 | 0 | 0 | 0 | 108.5 | C179 T183 | C179-S181 PolarHBondContact O-N 3.44Å; S181-T183 PolarHBondContact O-N 3.36Å |
| 182 | S | 40.9 | Very low | 44.5 | Very low | 109 Ų | 109 | 128.7 Ų | 128.7 | 76% | 0.762 | 75% | 0.746 | S | S | * | * | | | trans | 25.8 | 99.6 | 146.7 | 56.1 | 0 | 0 | 0 | 0 | 115.1 | | |
| 183 | T | 43.6 | Very low | 44.1 | Very low | 133 Ų | 133 | 130 Ų | 130 | 82% | 0.816 | 75% | 0.747 | S | S | * | * | | | trans | 9.1 | 96.1 | 156.1 | -36 | 0 | 0 | 0 | 0 | 114.3 | S181 G185 | S181-T183 PolarHBondContact O-N 3.36Å; T183-G185 PolarHBondContact O-N 3.19Å |
| 184 | P | 44.9 | Very low | 44.1 | Very low | 117 Ų | 117 | 133.1 Ų | 133.1 | 76% | 0.76 | 75% | 0.746 | S | S | * | * | | | trans | -58.9 | 116.7 | 164.5 | 24.2 | -30.2 | 0 | 0 | 0 | 106.1 | S186 | P184-S186 PolarHBondContact O-N 3.41Š|
| 185 | G | 40.3 | Very low | 43.5 | Very low | 69 Ų | 69 | 133.4 Ų | 133.4 | 71% | 0.711 | 75% | 0.747 | S | S | * | * | | | trans | -48.5 | 111.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | T183 P187 | T183-G185 PolarHBondContact O-N 3.19Å; G185-P187 WeakPolarHBondContact O-CD 3.32Å |
| 186 | S | 40.9 | Very low | 43.3 | Very low | 82 Ų | 82 | 135.4 Ų | 135.4 | 57% | 0.573 | 75% | 0.75 | S | S | * | * | | | trans | -60.7 | 122.1 | 177.6 | 175.3 | 0 | 0 | 0 | 0 | 107.6 | P184 W188 G189 | P184-S186 PolarHBondContact O-N 3.41Å; S186-W188 PolarHBondContact O-N 3.35Å; S186-G189 PolarHBondContact O-N 3.1Å |
| 187 | P | 45.9 | Very low | 42.8 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | -0.9 | -178.6 | 21.8 | -26 | 0 | 0 | 0 | 113 | G185 | G185-P187 WeakPolarHBondContact O-CD 3.32Š|
| 188 | W | 46.4 | Very low | 42.5 | Very low | 223 Ų | 223 | 133.4 Ų | 133.4 | 85% | 0.845 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.1 | 2.7 | -176.8 | -61 | 78 | 0 | 0 | 0 | 113.5 | S186 | S186-W188 PolarHBondContact O-N 3.35Š|
| 189 | G | 42.2 | Very low | 42.1 | Very low | 54 Ų | 54 | 133.4 Ų | 133.4 | 56% | 0.557 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -90.3 | 2.8 | -169.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | S186 | S186-G189 PolarHBondContact O-N 3.1Š|
| 190 | K | 44.7 | Very low | 41.8 | Very low | 200 Ų | 200 | 134.7 Ų | 134.7 | 87% | 0.87 | 78% | 0.775 | S | S | * | * | | | trans | -127.8 | 20.9 | -171.3 | -69.4 | -169.3 | 179.6 | -179.3 | 0 | 116.4 | | |
| 191 | W | 43 | Very low | 41.8 | Very low | 219 Ų | 219 | 135.7 Ų | 135.7 | 83% | 0.83 | 77% | 0.774 | S | S | * | * | | | trans | -105.4 | 36.2 | 170.1 | -64.8 | 96.8 | 0 | 0 | 0 | 112.8 | L193 | W191-L193 PolarHBondContact O-N 3.18Š|
| 192 | T | 46 | Very low | 41.7 | Very low | 114 Ų | 114 | 138.6 Ų | 138.6 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | | | trans | -79.4 | 63.1 | 158.7 | -35.1 | 0 | 0 | 0 | 0 | 108.2 | F194 | T192-F194 HydrophobicContact CG2-CD2 4.02Å; T192-F194 HydrophobicContact CG2-CE2 4Å; T192-F194 PolarHBondContact O-N 3.36Å; T192-F194 VanDerWaalsContact O-N 3.09Å |
| 193 | L | 39.7 | Very low | 41.8 | Very low | 132 Ų | 132 | 140.3 Ų | 140.3 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | | | trans | -74.6 | 98.5 | 168 | -150.3 | 100.8 | 0 | 0 | 0 | 105.9 | W191 L195 | W191-L193 PolarHBondContact O-N 3.18Å; L193-L195 VanDerWaalsContact C-N 3.28Å; L193-L195 PolarHBondContact O-N 3.26Å |
| 194 | F | 44.3 | Very low | 41.7 | Very low | 184 Ų | 184 | 140.7 Ų | 140.7 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | | | trans | -60.1 | 93.4 | 167.8 | -98.9 | -100.7 | 0 | 0 | 0 | 108 | T192 S196 | T192-F194 HydrophobicContact CG2-CD2 4.02Å; T192-F194 HydrophobicContact CG2-CE2 4Å; T192-F194 PolarHBondContact O-N 3.36Å; T192-F194 VanDerWaalsContact O-N 3.09Å; F194-S196 PolarHBondContact O-N 3.22Å |
| 195 | L | 38.1 | Very low | 41.5 | Very low | 142 Ų | 142 | 142.2 Ų | 142.2 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | | | trans | -73.2 | 88.4 | 166.1 | -161.8 | 77.9 | 0 | 0 | 0 | 107 | L193 V197 | L193-L195 VanDerWaalsContact C-N 3.28Å; L193-L195 PolarHBondContact O-N 3.26Å; L195-V197 HydrophobicContact CD2-CG2 4.48Å; L195-V197 PolarHBondContact O-N 3.17Å |
| 196 | S | 40.7 | Very low | 41.5 | Very low | 112 Ų | 112 | 147.1 Ų | 147.1 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | | | trans | -72.2 | 95.7 | 172.4 | -153.7 | 0 | 0 | 0 | 0 | 107.7 | F194 R198 | F194-S196 PolarHBondContact O-N 3.22Å; S196-R198 PolarHBondContact O-N 3.47Å; S196-R198 VanDerWaalsContact O-N 3.15Å |
| 197 | V | 39.2 | Very low | 41.6 | Very low | 105 Ų | 105 | 151.7 Ų | 151.7 | 64% | 0.636 | 81% | 0.806 | S | S | * | * | | | trans | -69 | 107.7 | 170.9 | 173.3 | 0 | 0 | 0 | 0 | 107.3 | L195 I199 | L195-V197 HydrophobicContact CD2-CG2 4.48Å; L195-V197 PolarHBondContact O-N 3.17Å; V197-I199 VanDerWaalsContact C-N 3.34Å; V197-I199 HydrophobicContact CG1-CD1 3.92Å; V197-I199 PolarHBondContact O-N 3.31Å |
| 198 | R | 39.1 | Very low | 41.2 | Very low | 231 Ų | 231 | 154.7 Ų | 154.7 | 87% | 0.872 | 81% | 0.812 | S | S | * | * | | | trans | -74 | 90.2 | 171.3 | -159.2 | 176.1 | -167.6 | 134.5 | -0.8 | 107.7 | S196 | S196-R198 PolarHBondContact O-N 3.47Å; S196-R198 VanDerWaalsContact O-N 3.15Å |
| 199 | I | 35.7 | Very low | 40.8 | Very low | 158 Ų | 158 | 149 Ų | 149 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | | | trans | -88.9 | 119.2 | 159.8 | -125 | 84.2 | 0 | 0 | 0 | 105.2 | V197 | V197-I199 VanDerWaalsContact C-N 3.34Å; V197-I199 HydrophobicContact CG1-CD1 3.92Å; V197-I199 PolarHBondContact O-N 3.31Å |
| 200 | G | 36.8 | Very low | 40.7 | Very low | 137 Ų | 137 | 157.6 Ų | 157.6 | 100% | 1.412 | 83% | 0.832 | S | S | * | * | | | trans | 120.2 | 0 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |