| 1 | M | 53.5 | Low | 50 | Low | 247 Ų | 247 | 174.3 Ų | 174.3 | 100% | 1.217 | 91% | 0.906 | S | S | * | * | | | | 0 | 132.3 | 0 | -69.9 | 172.4 | 175.2 | 0 | 0 | 107.9 | | |
| 2 | C | 39 | Very low | 51.4 | Low | 126 Ų | 126 | 169.3 Ų | 169.3 | 85% | 0.851 | 89% | 0.893 | S | S | * | * | | | trans | -111.7 | 133.5 | 177.6 | -61.2 | 0 | 0 | 0 | 0 | 109 | | |
| 3 | F | 46.1 | Very low | 51.8 | Low | 213 Ų | 213 | 164.9 Ų | 164.9 | 93% | 0.934 | 88% | 0.88 | S | S | * | * | | | trans | -140.3 | 115.1 | 166.3 | -115.4 | -87 | 0 | 0 | 0 | 110.4 | | |
| 4 | C | 44.4 | Very low | 51.9 | Low | 133 Ų | 133 | 160.3 Ų | 160.3 | 90% | 0.899 | 88% | 0.876 | S | S | * | * | | | trans | -85.3 | 135.2 | 165.7 | -73.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 5 | G | 49.7 | Very low | 52.2 | Low | 76 Ų | 76 | 155.1 Ų | 155.1 | 78% | 0.784 | 86% | 0.864 | S | S | * | * | | | trans | -144.7 | 105.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 6 | R | 45.9 | Very low | 52.2 | Low | 248 Ų | 248 | 152.4 Ų | 152.4 | 94% | 0.936 | 86% | 0.858 | S | S | * | * | | | trans | -124.2 | 122.8 | 167 | -77.1 | -171.7 | 179.4 | -165.9 | 0.2 | 109.1 | | |
| 7 | T | 56.7 | Low | 52.2 | Low | 139 Ų | 139 | 151.3 Ų | 151.3 | 85% | 0.853 | 86% | 0.861 | S | S | * | * | | | trans | -132.1 | 112.6 | 164.4 | 49 | 0 | 0 | 0 | 0 | 106.4 | | |
| 8 | A | 48.9 | Very low | 51.8 | Low | 98 Ų | 98 | 147 Ų | 147 | 81% | 0.81 | 86% | 0.855 | S | S | * | * | | | | 73.2 | 89.1 | 65.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 9 | R | 57.5 | Low | 51.3 | Low | 241 Ų | 241 | 150 Ų | 150 | 91% | 0.909 | 86% | 0.857 | S | S | * | * | | | trans | -142.6 | 109.9 | 157.7 | -63 | -170.5 | -179.3 | -139.3 | 0.3 | 106.4 | | |
| 10 | K | 59.5 | Low | 51.6 | Low | 210 Ų | 210 | 148.5 Ų | 148.5 | 91% | 0.913 | 85% | 0.851 | S | S | * | * | | | | 66.8 | 104.3 | 83.2 | -80 | -166.9 | 171.8 | -174.3 | 0 | 114.5 | | |
| 11 | H | 49.2 | Very low | 51.5 | Low | 186 Ų | 186 | 147.3 Ų | 147.3 | 86% | 0.861 | 85% | 0.849 | S | S | * | * | | | trans | -80.9 | -162.6 | 165.2 | -72.3 | -82.8 | 0 | 0 | 0 | 111.6 | | |
| 12 | P | 65.9 | Low | 51.5 | Low | 115 Ų | 115 | 139.1 Ų | 139.1 | 75% | 0.747 | 83% | 0.828 | S | S | * | * | | | | -119 | -133.1 | -53.6 | 31.9 | -10.2 | 0 | 0 | 0 | 108.2 | | |
| 13 | P | 57 | Low | 52.3 | Low | 112 Ų | 112 | 141.5 Ų | 141.5 | 73% | 0.727 | 83% | 0.827 | S | S | * | * | | | cis | -135.1 | -175.4 | -24.3 | 37.4 | -17 | 0 | 0 | 0 | 116.8 | | |
| 14 | A | 53.5 | Low | 52.8 | Low | 100 Ų | 100 | 136 Ų | 136 | 83% | 0.826 | 81% | 0.813 | S | S | * | * | | | trans | 77.4 | 151.3 | 156.4 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 15 | A | 55.7 | Low | 53.4 | Low | 83 Ų | 83 | 138.5 Ų | 138.5 | 69% | 0.686 | 81% | 0.808 | S | S | * | * | | | cis | -148.1 | 170.2 | 7.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 16 | S | 52.5 | Low | 53.7 | Low | 111 Ų | 111 | 146.5 Ų | 146.5 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | | | trans | 13.7 | 138.8 | 151.4 | 58.6 | 0 | 0 | 0 | 0 | 119.8 | | |
| 17 | C | 52.3 | Low | 54 | Low | 134 Ų | 134 | 138.6 Ų | 138.6 | 91% | 0.905 | 81% | 0.811 | S | S | * | * | | | cis | -164.9 | 171.5 | 41.8 | 46.5 | 0 | 0 | 0 | 0 | 108.9 | | |
| 18 | G | 45 | Very low | 53.8 | Low | 74 Ų | 74 | 134.9 Ų | 134.9 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | | | cis | 139.7 | 76.8 | 6.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 19 | F | 42.5 | Very low | 54.3 | Low | 204 Ų | 204 | 139.1 Ų | 139.1 | 90% | 0.895 | 80% | 0.802 | S | S | * | * | | | trans | -148 | 140.5 | 173.4 | -146.8 | -95.9 | 0 | 0 | 0 | 111.6 | | |
| 20 | T | 56.4 | Low | 54.2 | Low | 119 Ų | 119 | 139.6 Ų | 139.6 | 73% | 0.73 | 80% | 0.804 | S | S | * | * | | | trans | -133.3 | -174.9 | -172.3 | 68.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 21 | P | 49.9 | Very low | 54.2 | Low | 125 Ų | 125 | 140.9 Ų | 140.9 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | | | | -114.6 | 158.5 | -115.8 | 15.6 | 8.9 | 0 | 0 | 0 | 114.9 | | |
| 22 | G | 53.9 | Low | 54.6 | Low | 75 Ų | 75 | 138 Ų | 138 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | | | trans | -126.8 | 111.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 23 | Q | 56.4 | Low | 54.2 | Low | 176 Ų | 176 | 137.7 Ų | 137.7 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | | | trans | -131.4 | 170.4 | 169.2 | -76.9 | -76 | -16 | 0 | 0 | 107 | | |
| 24 | P | 55.7 | Low | 54.5 | Low | 98 Ų | 98 | 138.1 Ų | 138.1 | 64% | 0.636 | 80% | 0.804 | S | S | * | * | | | cis | -129 | -173.7 | -21.5 | 34.3 | -15.9 | 0 | 0 | 0 | 111.7 | | |
| 25 | K | 57.1 | Low | 54.5 | Low | 185 Ų | 185 | 145 Ų | 145 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | | | | 174.9 | 117.4 | 126 | -96.5 | 167.4 | -172.7 | 178.7 | 0 | 115.8 | | |
| 26 | R | 55.6 | Low | 54.2 | Low | 243 Ų | 243 | 147 Ų | 147 | 92% | 0.917 | 82% | 0.816 | S | S | * | * | | | | 43.6 | 126.9 | 127.5 | -59.3 | -179.6 | -178.4 | -121.9 | -0.8 | 121.3 | | |
| 27 | G | 53.7 | Low | 54.3 | Low | 83 Ų | 83 | 146.2 Ų | 146.2 | 86% | 0.856 | 82% | 0.817 | S | S | * | * | | | trans | 119.4 | 129.7 | 157.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 28 | G | 52.5 | Low | 54.3 | Low | 61 Ų | 61 | 149.2 Ų | 149.2 | 63% | 0.629 | 82% | 0.818 | S | S | * | * | | | cis | -174.4 | -167.4 | -1.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 29 | H | 58.6 | Low | 54.4 | Low | 186 Ų | 186 | 149.3 Ų | 149.3 | 86% | 0.861 | 82% | 0.819 | S | S | * | * | | | trans | 70.3 | 89.7 | 167.4 | -49.2 | -70.2 | 0 | 0 | 0 | 118.3 | | |
| 30 | R | 55.4 | Low | 54.8 | Low | 252 Ų | 252 | 151 Ų | 151 | 95% | 0.951 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 131.3 | 153.2 | -62.4 | 179.1 | 179.3 | -169.5 | -0.8 | 109.2 | | |
| 31 | R | 60.3 | Low | 54.9 | Low | 237 Ų | 237 | 153 Ų | 153 | 89% | 0.894 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 135.8 | 158.1 | -73.6 | -172.8 | 174.2 | -137.9 | 0.3 | 108.9 | | |
| 32 | P | 57.5 | Low | 55.1 | Low | 126 Ų | 126 | 152.4 Ų | 152.4 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 136.9 | 174.7 | 30.8 | -32.7 | 0 | 0 | 0 | 110.7 | | |
| 33 | S | 56.8 | Low | 54.7 | Low | 108 Ų | 108 | 156.9 Ų | 156.9 | 76% | 0.755 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 144.2 | 172.1 | -50 | 0 | 0 | 0 | 0 | 110.9 | R35 | S33-R35 PolarHBondContact O-N 3.21Š|
| 34 | P | 62.5 | Low | 54.4 | Low | 120 Ų | 120 | 151.6 Ų | 151.6 | 78% | 0.779 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 125.9 | 170.1 | 28.5 | -32.6 | 0 | 0 | 0 | 109.5 | C36 | P34-C36 PolarHBondContact O-N 3.24Š|
| 35 | R | 53.8 | Low | 54.6 | Low | 244 Ų | 244 | 154.7 Ų | 154.7 | 92% | 0.921 | 83% | 0.83 | S | S | * | * | | | trans | -73.1 | 113.3 | 164.3 | -74.1 | -176.1 | 174.2 | -171.8 | -2.5 | 107.7 | S33 A37 | S33-R35 PolarHBondContact O-N 3.21Å; R35-A37 PolarHBondContact O-N 3.13Å |
| 36 | C | 50 | Low | 54.6 | Low | 125 Ų | 125 | 153.4 Ų | 153.4 | 85% | 0.845 | 83% | 0.826 | S | S | * | * | | | trans | -67.4 | 115.7 | 162.3 | -63.4 | 0 | 0 | 0 | 0 | 107.8 | P34 | P34-C36 PolarHBondContact O-N 3.24Š|
| 37 | A | 55.4 | Low | 54.4 | Low | 95 Ų | 95 | 153.4 Ų | 153.4 | 79% | 0.785 | 83% | 0.826 | S | S | * | * | | | trans | -69.7 | 147 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | R35 G39 | R35-A37 PolarHBondContact O-N 3.13Å; A37-G39 PolarHBondContact O-N 3.07Å; A37-G39 VanDerWaalsContact O-N 3.07Å |
| 38 | E | 51.3 | Low | 54.6 | Low | 198 Ų | 198 | 157.1 Ų | 157.1 | 93% | 0.925 | 83% | 0.826 | S | S | * | * | | | trans | -68.8 | 101.2 | 178.4 | -72.3 | 158.5 | 83.2 | 0 | 0 | 111.3 | R40 | E38-R40 PolarHBondContact O-N 3.25Š|
| 39 | G | 47.6 | Very low | 55.2 | Low | 76 Ų | 76 | 161.8 Ų | 161.8 | 78% | 0.784 | 84% | 0.836 | S | S | * | * | | | trans | -81.2 | 84.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A37 L41 | A37-G39 PolarHBondContact O-N 3.07Å; A37-G39 VanDerWaalsContact O-N 3.07Å; G39-L41 PolarHBondContact O-N 3.35Å |
| 40 | R | 50.9 | Low | 54.9 | Low | 238 Ų | 238 | 159.6 Ų | 159.6 | 90% | 0.898 | 84% | 0.838 | S | S | * | * | | | trans | -72 | 104.1 | 170.7 | 178.8 | -173.3 | -112.6 | -118.6 | -0.8 | 109.8 | E38 | E38-R40 PolarHBondContact O-N 3.25Š|
| 41 | L | 58.1 | Low | 54.5 | Low | 162 Ų | 162 | 150.6 Ų | 150.6 | 85% | 0.848 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 146.1 | 164 | -81.2 | 167.4 | 0 | 0 | 0 | 110.3 | G39 | G39-L41 PolarHBondContact O-N 3.35Š|
| 42 | P | 54.3 | Low | 54.4 | Low | 113 Ų | 113 | 144.8 Ų | 144.8 | 73% | 0.734 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 153.3 | -165.8 | 33 | -36.2 | 0 | 0 | 0 | 114.1 | | |
| 43 | D | 45.3 | Very low | 53.9 | Low | 169 Ų | 169 | 144.9 Ų | 144.9 | 90% | 0.904 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 130.2 | 166.2 | -60.7 | -78.8 | 0 | 0 | 0 | 111.3 | | |
| 44 | G | 51.2 | Low | 53.6 | Low | 64 Ų | 64 | 142.6 Ų | 142.6 | 66% | 0.66 | 81% | 0.814 | S | S | * | * | | | trans | 154.8 | 86.8 | 170 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 45 | L | 59 | Low | 53.3 | Low | 163 Ų | 163 | 143 Ų | 143 | 85% | 0.853 | 82% | 0.815 | S | S | * | * | | | | -178.3 | 142.5 | 107.8 | -116.3 | 75.1 | 0 | 0 | 0 | 111.4 | | |
| 46 | E | 57.4 | Low | 53.3 | Low | 158 Ų | 158 | 141.1 Ų | 141.1 | 74% | 0.738 | 81% | 0.813 | S | S | * | * | | | trans | 55.8 | 112.3 | 145.9 | -60.5 | -68.6 | 76.4 | 0 | 0 | 120.6 | L48 | E46-L48 PolarHBondContact O-N 3.34Å; E46-L48 VanDerWaalsContact O-N 3.13Å |
| 47 | R | 51.5 | Low | 53.4 | Low | 243 Ų | 243 | 139 Ų | 139 | 92% | 0.917 | 81% | 0.805 | S | S | * | * | | | trans | -68.2 | 99.7 | 164.1 | -63.6 | 169.1 | 170 | -155.4 | -2.8 | 110.1 | | |
| 48 | L | 57.7 | Low | 53 | Low | 161 Ų | 161 | 142 Ų | 142 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | | | trans | -91.7 | 139.6 | 164.9 | -70.4 | 174.3 | 0 | 0 | 0 | 111.5 | E46 | E46-L48 PolarHBondContact O-N 3.34Å; E46-L48 VanDerWaalsContact O-N 3.13Å |
| 49 | L | 63.9 | Low | 52.8 | Low | 160 Ų | 160 | 137.2 Ų | 137.2 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | | | trans | -72.3 | 148.2 | -161.9 | -61.5 | 160.6 | 0 | 0 | 0 | 113.2 | G51 | L49-G51 PolarHBondContact O-N 3.45Š|
| 50 | P | 52.5 | Low | 53 | Low | 140 Ų | 140 | 138.1 Ų | 138.1 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | | | trans | -78.8 | 86.4 | 168 | 33 | -31.4 | 0 | 0 | 0 | 109.2 | | |
| 51 | G | 47.7 | Very low | 53.3 | Low | 62 Ų | 62 | 131.3 Ų | 131.3 | 64% | 0.639 | 80% | 0.797 | S | S | * | * | | | trans | -161.5 | 61.5 | -165 | 0 | 0 | 0 | 0 | 0 | 117.2 | L49 | L49-G51 PolarHBondContact O-N 3.45Š|
| 52 | S | 57.4 | Low | 53.1 | Low | 116 Ų | 116 | 128.6 Ų | 128.6 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | | | | -178.8 | 137.7 | 129.9 | 40.6 | 0 | 0 | 0 | 0 | 110.9 | G54 | S52-G54 VanDerWaalsContact C-N 3.3Å; S52-G54 PolarHBondContact O-N 2.89Å |
| 53 | C | 48.9 | Very low | 53.1 | Low | 128 Ų | 128 | 128.8 Ų | 128.8 | 87% | 0.865 | 79% | 0.793 | S | S | * | * | | | trans | -71.2 | 96.5 | 158.4 | 177.8 | 0 | 0 | 0 | 0 | 106.2 | T55 | C53-T55 PolarHBondContact O-N 2.85Å; C53-T55 VanDerWaalsContact O-N 3.07Å |
| 54 | G | 48.9 | Very low | 53.6 | Low | 59 Ų | 59 | 124.9 Ų | 124.9 | 61% | 0.608 | 78% | 0.779 | S | S | * | * | | | trans | -56.8 | 115.9 | 165.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | S52 K56 | S52-G54 VanDerWaalsContact C-N 3.3Å; S52-G54 PolarHBondContact O-N 2.89Å; G54-K56 PolarHBondContact O-N 3.1Å |
| 55 | T | 57 | Low | 54.1 | Low | 128 Ų | 128 | 124 Ų | 124 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | | | trans | -43.2 | 142.6 | 154.7 | 40.3 | 0 | 0 | 0 | 0 | 107.6 | C53 A57 | C53-T55 PolarHBondContact O-N 2.85Å; C53-T55 VanDerWaalsContact O-N 3.07Å; T55-A57 PolarHBondContact O-N 2.9Å |
| 56 | K | 54.3 | Low | 54.3 | Low | 205 Ų | 205 | 118.4 Ų | 118.4 | 89% | 0.891 | 74% | 0.742 | S | S | * | * | | | trans | -59.9 | 95.7 | 167 | -78.3 | -176.1 | 174.7 | -176.8 | 0 | 106.6 | G54 D58 | G54-K56 PolarHBondContact O-N 3.1Å; K56-D58 PolarHBondContact O-N 3.24Å |
| 57 | A | 50.9 | Low | 54.9 | Low | 82 Ų | 82 | 116.5 Ų | 116.5 | 68% | 0.678 | 73% | 0.729 | S | S | * | * | | | trans | -53.1 | 128.5 | 154.1 | 0 | 0 | 0 | 0 | 0 | 104.9 | T55 A59 | T55-A57 PolarHBondContact O-N 2.9Å; A57-A59 PolarHBondContact O-N 3.42Å |
| 58 | D | 46.8 | Very low | 56.2 | Low | 156 Ų | 156 | 111.9 Ų | 111.9 | 83% | 0.834 | 72% | 0.718 | S | S | * | * | | | trans | -46.3 | 119.9 | 173.8 | -62.3 | -76.3 | 0 | 0 | 0 | 107.2 | K56 A60 | K56-D58 PolarHBondContact O-N 3.24Å; D58-A60 PolarHBondContact O-N 3.04Å |
| 59 | A | 48.2 | Very low | 57.5 | Low | 99 Ų | 99 | 106 Ų | 106 | 82% | 0.818 | 70% | 0.696 | S | S | * | * | | | trans | -70.1 | 85.4 | -175 | 0 | 0 | 0 | 0 | 0 | 106.5 | A57 A61 | A57-A59 PolarHBondContact O-N 3.42Å; A59-A61 PolarHBondContact O-N 2.84Å |
| 60 | A | 51.4 | Low | 58.7 | Low | 94 Ų | 94 | 103.1 Ų | 103.1 | 78% | 0.777 | 69% | 0.685 | S | S | * | * | | | trans | -46 | 112 | 175.1 | 0 | 0 | 0 | 0 | 0 | 105.8 | D58 S62 | D58-A60 PolarHBondContact O-N 3.04Å; A60-S62 PolarHBondContact O-N 3.13Å |
| 61 | A | 56.6 | Low | 60.6 | Low | 95 Ų | 95 | 100.1 Ų | 100.1 | 79% | 0.785 | 66% | 0.664 | S | S | * | * | | | trans | -57.6 | 108.3 | -169.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | A59 | A59-A61 PolarHBondContact O-N 2.84Š|
| 62 | S | 54 | Low | 62.9 | Low | 105 Ų | 105 | 101 Ų | 101 | 73% | 0.734 | 66% | 0.657 | S | S | * | * | | | trans | -51.5 | 121.9 | 177.1 | 177 | 0 | 0 | 0 | 0 | 105.8 | A60 S64 | A60-S62 PolarHBondContact O-N 3.13Å; S62-S64 PolarHBondContact O-N 3.04Å |
| 63 | P | 54.5 | Low | 64.6 | Low | 118 Ų | 118 | 96.3 Ų | 96.3 | 77% | 0.766 | 63% | 0.627 | S | S | * | * | | | trans | -53.6 | 120.5 | -171.9 | 19.6 | -31.6 | 0 | 0 | 0 | 107.6 | G65 | P63-G65 PolarHBondContact O-N 3.37Š|
| 64 | S | 56.4 | Low | 66.7 | Low | 87 Ų | 87 | 95 Ų | 95 | 61% | 0.608 | 62% | 0.615 | S | S | * | * | | | trans | -74.4 | 59.3 | -177.2 | 45.4 | 0 | 0 | 0 | 0 | 109.7 | S62 V66 Q98 | S62-S64 PolarHBondContact O-N 3.04Å; S64-V66 PolarHBondContact O-N 2.74Å; S64-Q98 PolarHBondContact OG-OE1 2.9Å |
| 65 | G | 61.6 | Low | 68.8 | Low | 45 Ų | 45 | 95.6 Ų | 95.6 | 46% | 0.464 | 61% | 0.608 | S | S | . | * | | | trans | -56.7 | 121 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | P63 Y67 | P63-G65 PolarHBondContact O-N 3.37Å; G65-Y67 PolarHBondContact O-N 2.77Å |
| 66 | V | 62.7 | Low | 70.5 | Confident | 46 Ų | 46 | 92.2 Ų | 92.2 | 28% | 0.279 | 59% | 0.59 | S | S | . | * | | | trans | -63.2 | 124.1 | 165.9 | -173.3 | 0 | 0 | 0 | 0 | 106.3 | S64 R95 E99 | S64-V66 PolarHBondContact O-N 2.74Å; V66-R95 WeakPolarHBondContact CG2-O 3.46Å; V66-E99 WeakPolarHBondContact CB-OE2 3.42Å; V66-E99 VanDerWaalsContact CG1-OE2 3.23Å; V66-E99 WeakPolarHBondContact CG1-OE2 3.47Å; V66-E99 HydrophobicContact CG2-CB 4.15Å; V66-E99 HydrophobicContact CG2-CG 4.3Å |
| 67 | Y | 69.6 | Low | 72.4 | Confident | 118 Ų | 118 | 92.6 Ų | 92.6 | 46% | 0.463 | 59% | 0.586 | S | S | . | * | | | trans | -98.3 | 103.6 | 176.7 | -179.8 | -94.3 | 0 | 0 | 0 | 107.1 | G65 I82 D83 | G65-Y67 PolarHBondContact O-N 2.77Å; Y67-I82 HydrophobicContact CE1-CG2 4.43Å; Y67-D83 VanDerWaalsContact CE1-OD2 3.31Å; Y67-D83 WeakPolarHBondContact CE1-OD2 3.31Å; Y67-D83 PolarHBondContact OH-OD2 3.3Å; Y67-D83 VanDerWaalsContact OH-OD2 3.1Å |
| 68 | Q | 78.4 | Confident | 74.4 | Confident | 146 Ų | 146 | 93.3 Ų | 93.3 | 68% | 0.682 | 58% | 0.575 | S | S | * | * | | | trans | -70.2 | 136.4 | 165.8 | -58.8 | -177.1 | 11.8 | 0 | 0 | 108.3 | E99 | Q68-E99 PolarHBondContact NE2-OE1 3.24Š|
| 69 | G | 85.1 | Confident | 76.6 | Confident | 36 Ų | 36 | 87 Ų | 87 | 37% | 0.371 | 54% | 0.544 | S | S | . | . | | | trans | -159.7 | 151.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | D83 | G69-D83 WeakPolarHBondContact CA-OD2 3.34Š|
| 70 | T | 90.2 | Very high | 78.8 | Confident | 100 Ų | 100 | 84 Ų | 84 | 61% | 0.613 | 51% | 0.514 | S | S | * | . | | | trans | -92.8 | 133.4 | -173.2 | -57 | 0 | 0 | 0 | 0 | 110.3 | T72 I82 D83 | T70-T72 PolarHBondContact O-N 2.86Å; T70-T72 VanDerWaalsContact O-N 3.13Å; T70-I82 CarbonylContact O-C 3.6Å; T70-I82 WeakPolarHBondContact O-CA 3.27Å; T70-D83 PolarHBondContact N-OD1 2.91Å; T70-D83 PolarHBondContact O-N 3.29Å |
| 71 | V | 91.9 | Very high | 80.8 | Confident | 78 Ų | 78 | 82.4 Ų | 82.4 | 47% | 0.473 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 109.2 | 174.5 | -179.2 | 0 | 0 | 0 | 0 | 109.2 | L80 E81 I82 | V71-L80 HydrophobicContact CG1-CD2 4.38Å; V71-E81 CarbonylContact C-O 3.6Å; V71-E81 VanDerWaalsContact CA-O 3.3Å; V71-E81 WeakPolarHBondContact CA-O 3.33Å; V71-I82 HydrophobicContact CG2-CG1 4.46Å |
| 72 | T | 95.6 | Very high | 82.5 | Confident | 79 Ų | 79 | 78.7 Ų | 78.7 | 49% | 0.485 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | -18.1 | 179.8 | 56.1 | 0 | 0 | 0 | 0 | 113 | T70 E81 G84 | T70-T72 PolarHBondContact O-N 2.86Å; T70-T72 VanDerWaalsContact O-N 3.13Å; T72-E81 PolarHBondContact N-O 3.17Å; T72-E81 WeakPolarHBondContact OG1-CB 3.47Å; T72-E81 PolarHBondContact OG1-O 3.34Å; T72-G84 WeakPolarHBondContact OG1-CA 3.3Å; T72-G84 PolarHBondContact OG1-N 3.42Å |
| 73 | G | 92.9 | Very high | 84.3 | Confident | 18 Ų | 18 | 76.9 Ų | 76.9 | 19% | 0.186 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.3 | 164.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | E81 | G73-E81 PolarHBondContact O-N 3Å |
| 74 | V | 94.6 | Very high | 86.1 | Confident | 102 Ų | 102 | 73.6 Ų | 73.6 | 62% | 0.618 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 78.5 | 178.1 | -173.4 | 0 | 0 | 0 | 0 | 109.2 | S76 L80 | V74-S76 PolarHBondContact O-N 3.05Å; V74-L80 HydrophobicContact CB-CD2 4.15Å; V74-L80 HydrophobicContact CG1-CD2 3.87Å; V74-L80 HydrophobicContact CG2-CD2 3.67Å |
| 75 | P | 91.8 | Very high | 87.7 | Confident | 71 Ų | 71 | 73.9 Ų | 73.9 | 46% | 0.461 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | -21 | -178 | 25.2 | -36.1 | 0 | 0 | 0 | 113.9 | A79 E81 | P75-A79 VanDerWaalsContact CD-O 3.27Å; P75-A79 WeakPolarHBondContact CD-O 3.14Å; P75-A79 HydrophobicContact CG-CB 4.07Å; P75-E81 HydrophobicContact CG-CG 4.04Å |
| 76 | S | 92.6 | Very high | 89.2 | Confident | 57 Ų | 57 | 76 Ų | 76 | 40% | 0.399 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.3 | 162.7 | 177.3 | -173.8 | 0 | 0 | 0 | 0 | 112.4 | V74 H78 A79 | V74-S76 PolarHBondContact O-N 3.05Å; S76-H78 PolarHBondContact O-N 3.07Å; S76-A79 PolarHBondContact N-O 2.71Å; S76-A79 PolarHBondContact O-N 3.5Å |
| 77 | R | 93.8 | Very high | 90.5 | Very high | 213 Ų | 213 | 77.5 Ų | 77.5 | 80% | 0.804 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -12.6 | 174.2 | 67.6 | 174.4 | -174 | -103.1 | 3 | 115.5 | | |
| 78 | H | 94.3 | Very high | 91.7 | Very high | 96 Ų | 96 | 75.4 Ų | 75.4 | 44% | 0.444 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.2 | 1.3 | 177.1 | -50.7 | 137.9 | 0 | 0 | 0 | 113.6 | S76 H88 V89 | S76-H78 PolarHBondContact O-N 3.07Å; H78-H88 WeakPolarHBondContact O-CA 3.38Å; H78-H88 PolarHBondContact O-CD2 3.46Å; H78-V89 PolarHBondContact O-N 3.25Å |
| 79 | A | 93 | Very high | 92.2 | Very high | 23 Ų | 23 | 70.8 Ų | 70.8 | 19% | 0.19 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 133.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | P75 S76 R87 | P75-A79 VanDerWaalsContact CD-O 3.27Å; P75-A79 WeakPolarHBondContact CD-O 3.14Å; P75-A79 HydrophobicContact CG-CB 4.07Å; S76-A79 PolarHBondContact N-O 2.71Å; S76-A79 PolarHBondContact O-N 3.5Å; A79-R87 CarbonylContact C-O 3.49Å; A79-R87 WeakPolarHBondContact CA-O 3.4Å |
| 80 | L | 93.5 | Very high | 92.4 | Very high | 36 Ų | 36 | 77.6 Ų | 77.6 | 19% | 0.188 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 138.6 | 179.3 | -64.7 | 173.3 | 0 | 0 | 0 | 108.4 | V71 V74 R87 V89 L92 | V71-L80 HydrophobicContact CG1-CD2 4.38Å; V74-L80 HydrophobicContact CB-CD2 4.15Å; V74-L80 HydrophobicContact CG1-CD2 3.87Å; V74-L80 HydrophobicContact CG2-CD2 3.67Å; L80-R87 PolarHBondContact N-O 3.39Å; L80-R87 PolarHBondContact O-N 2.98Å; L80-V89 HydrophobicContact CD1-CG2 3.98Å; L80-V89 HydrophobicContact CG-CG2 3.95Å; L80-L92 HydrophobicContact CD1-CD1 3.65Å |
| 81 | E | 93.9 | Very high | 92.2 | Very high | 61 Ų | 61 | 77 Ų | 77 | 29% | 0.285 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 123.9 | 168.4 | -74.5 | 162.3 | -162.2 | 0 | 0 | 108.6 | V71 T72 G73 P75 I85 P86 | V71-E81 CarbonylContact C-O 3.6Å; V71-E81 VanDerWaalsContact CA-O 3.3Å; V71-E81 WeakPolarHBondContact CA-O 3.33Å; T72-E81 PolarHBondContact N-O 3.17Å; T72-E81 WeakPolarHBondContact OG1-CB 3.47Å; T72-E81 PolarHBondContact OG1-O 3.34Å; G73-E81 PolarHBondContact O-N 3Å; P75-E81 HydrophobicContact CG-CG 4.04Å; E81-I85 WeakPolarHBondContact CA-O 3.17Å; E81-P86 HydrophobicContact CG-CB 4.36Å; E81-P86 HydrophobicContact CG-CG 3.94Å |
| 82 | I | 92.2 | Very high | 91.7 | Very high | 17 Ų | 17 | 75.9 Ų | 75.9 | 9% | 0.087 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 118.7 | 175.4 | -60.2 | -167.6 | 0 | 0 | 0 | 107.1 | Y67 T70 V71 G84 I85 L92 | Y67-I82 HydrophobicContact CE1-CG2 4.43Å; T70-I82 CarbonylContact O-C 3.6Å; T70-I82 WeakPolarHBondContact O-CA 3.27Å; V71-I82 HydrophobicContact CG2-CG1 4.46Å; I82-G84 PolarHBondContact O-N 2.68Å; I82-I85 PolarHBondContact N-O 3.1Å; I82-I85 WeakPolarHBondContact O-CB 3.23Å; I82-I85 PolarHBondContact O-N 2.93Å; I82-L92 HydrophobicContact CD1-CD1 3.99Å; I82-L92 HydrophobicContact CD1-CD2 3.45Å; I82-L92 VanDerWaalsContact CD1-CD2 3.45Å; I82-L92 HydrophobicContact CD1-CG 4.39Å |
| 83 | D | 91.6 | Very high | 90.6 | Very high | 67 Ų | 67 | 81.2 Ų | 81.2 | 36% | 0.358 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 37.8 | -174.1 | -46.4 | -53.8 | 0 | 0 | 0 | 112.7 | Y67 G69 T70 I85 | Y67-D83 VanDerWaalsContact CE1-OD2 3.31Å; Y67-D83 WeakPolarHBondContact CE1-OD2 3.31Å; Y67-D83 PolarHBondContact OH-OD2 3.3Å; Y67-D83 VanDerWaalsContact OH-OD2 3.1Å; G69-D83 WeakPolarHBondContact CA-OD2 3.34Å; T70-D83 PolarHBondContact N-OD1 2.91Å; T70-D83 PolarHBondContact O-N 3.29Å; D83-I85 VanDerWaalsContact C-N 3.3Å; D83-I85 PolarHBondContact O-N 2.82Å |
| 84 | G | 92.3 | Very high | 89.1 | Confident | 49 Ų | 49 | 88 Ų | 88 | 51% | 0.505 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | -0.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | T72 I82 | T72-G84 WeakPolarHBondContact OG1-CA 3.3Å; T72-G84 PolarHBondContact OG1-N 3.42Å; I82-G84 PolarHBondContact O-N 2.68Å |
| 85 | I | 90.8 | Very high | 87.2 | Confident | 94 Ų | 94 | 88.7 Ų | 88.7 | 48% | 0.482 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 117 | -179.1 | -55.2 | 176.9 | 0 | 0 | 0 | 110.2 | E81 I82 D83 R87 | E81-I85 WeakPolarHBondContact CA-O 3.17Å; I82-I85 PolarHBondContact N-O 3.1Å; I82-I85 WeakPolarHBondContact O-CB 3.23Å; I82-I85 PolarHBondContact O-N 2.93Å; D83-I85 VanDerWaalsContact C-N 3.3Å; D83-I85 PolarHBondContact O-N 2.82Å; I85-R87 PolarHBondContact O-N 2.9Å |
| 86 | P | 92.8 | Very high | 85.3 | Confident | 88 Ų | 88 | 92.2 Ų | 92.2 | 57% | 0.571 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 127.4 | 173.7 | -22.8 | 32.8 | 0 | 0 | 0 | 112.8 | E81 | E81-P86 HydrophobicContact CG-CB 4.36Å; E81-P86 HydrophobicContact CG-CG 3.94Å |
| 87 | R | 90.9 | Very high | 83.4 | Confident | 79 Ų | 79 | 98.1 Ų | 98.1 | 30% | 0.298 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 150.9 | 175.9 | -65.7 | 178.6 | -177.2 | -101.8 | 5.4 | 110.1 | A79 L80 I85 L92 | A79-R87 CarbonylContact C-O 3.49Å; A79-R87 WeakPolarHBondContact CA-O 3.4Å; L80-R87 PolarHBondContact N-O 3.39Å; L80-R87 PolarHBondContact O-N 2.98Å; I85-R87 PolarHBondContact O-N 2.9Å; R87-L92 HydrophobicContact CB-CD2 4.28Å |
| 88 | H | 93.3 | Very high | 81.4 | Confident | 74 Ų | 74 | 94.3 Ų | 94.3 | 34% | 0.343 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 142.6 | 179.3 | -175 | -103.7 | 0 | 0 | 0 | 110.9 | H78 R90 D91 | H78-H88 WeakPolarHBondContact O-CA 3.38Å; H78-H88 PolarHBondContact O-CD2 3.46Å; H88-R90 PolarHBondContact ND1-N 2.98Å; H88-R90 PolarHBondContact O-N 2.91Å; H88-R90 VanDerWaalsContact O-N 3.1Å; H88-D91 WeakPolarHBondContact CB-OD2 3.33Å; H88-D91 PolarHBondContact N-OD2 3.45Å; H88-D91 IonicContact ND1-OD1 3.98Å; H88-D91 WeakPolarHBondContact O-CB 3.45Å; H88-D91 PolarHBondContact O-N 3.27Å |
| 89 | V | 90.1 | Very high | 79.3 | Confident | 48 Ų | 48 | 95.2 Ų | 95.2 | 29% | 0.291 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -59.5 | -28.3 | -173 | 169.9 | 0 | 0 | 0 | 0 | 113.2 | H78 L80 D91 | H78-V89 PolarHBondContact O-N 3.25Å; L80-V89 HydrophobicContact CD1-CG2 3.98Å; L80-V89 HydrophobicContact CG-CG2 3.95Å; V89-D91 VanDerWaalsContact C-N 3.33Å |
| 90 | R | 89.6 | Confident | 76.8 | Confident | 179 Ų | 179 | 103.9 Ų | 103.9 | 68% | 0.675 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.8 | -36.5 | 174.7 | -67.4 | -175.3 | 179.7 | -171 | -4 | 112.3 | H88 L92 R93 H94 | H88-R90 PolarHBondContact ND1-N 2.98Å; H88-R90 PolarHBondContact O-N 2.91Å; H88-R90 VanDerWaalsContact O-N 3.1Å; R90-L92 PolarHBondContact O-N 3.49Å; R90-R93 PolarHBondContact O-N 3.01Å; R90-H94 PolarHBondContact O-CD2 3.35Å |
| 91 | D | 84.8 | Confident | 74.5 | Confident | 89 Ų | 89 | 107 Ų | 107 | 48% | 0.476 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -70.1 | -22 | -173 | -46.2 | -14.2 | 0 | 0 | 0 | 111.6 | H88 V89 | H88-D91 WeakPolarHBondContact CB-OD2 3.33Å; H88-D91 PolarHBondContact N-OD2 3.45Å; H88-D91 IonicContact ND1-OD1 3.98Å; H88-D91 WeakPolarHBondContact O-CB 3.45Å; H88-D91 PolarHBondContact O-N 3.27Å; V89-D91 VanDerWaalsContact C-N 3.33Å |
| 92 | L | 82.3 | Confident | 72 | Confident | 53 Ų | 53 | 115.3 Ų | 115.3 | 28% | 0.277 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -74.3 | -35.4 | 176.9 | -51.1 | -173.1 | 0 | 0 | 0 | 112.4 | L80 I82 R87 R90 H94 R95 | L80-L92 HydrophobicContact CD1-CD1 3.65Å; I82-L92 HydrophobicContact CD1-CD1 3.99Å; I82-L92 HydrophobicContact CD1-CD2 3.45Å; I82-L92 VanDerWaalsContact CD1-CD2 3.45Å; I82-L92 HydrophobicContact CD1-CG 4.39Å; R87-L92 HydrophobicContact CB-CD2 4.28Å; R90-L92 PolarHBondContact O-N 3.49Å; L92-H94 VanDerWaalsContact C-N 3.25Å; L92-H94 PolarHBondContact O-N 3.17Å; L92-R95 PolarHBondContact O-N 2.91Å |
| 93 | R | 71.4 | Confident | 69.5 | Low | 191 Ų | 191 | 123.1 Ų | 123.1 | 72% | 0.721 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -67.9 | -26.9 | -178.4 | -64.5 | -172.7 | 178.2 | -159.3 | -3.6 | 112.5 | R90 R95 | R90-R93 PolarHBondContact O-N 3.01Å; R93-R95 PolarHBondContact O-N 3.21Å |
| 94 | H | 61.6 | Low | 67.1 | Low | 161 Ų | 161 | 129.1 Ų | 129.1 | 75% | 0.745 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | 9.2 | -177.9 | -65.4 | -61.8 | 0 | 0 | 0 | 114.7 | R90 L92 | R90-H94 PolarHBondContact O-CD2 3.35Å; L92-H94 VanDerWaalsContact C-N 3.25Å; L92-H94 PolarHBondContact O-N 3.17Å |
| 95 | R | 55.8 | Low | 64.6 | Low | 116 Ų | 116 | 131.6 Ų | 131.6 | 44% | 0.438 | 63% | 0.63 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -123.5 | -1.8 | 179.3 | -84.9 | -173.6 | 162.9 | -171.8 | -10.7 | 115.6 | V66 L92 R93 | V66-R95 WeakPolarHBondContact CG2-O 3.46Å; L92-R95 PolarHBondContact O-N 2.91Å; R93-R95 PolarHBondContact O-N 3.21Å |
| 96 | L | 51.2 | Low | 62.5 | Low | 145 Ų | 145 | 134 Ų | 134 | 76% | 0.759 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -95.7 | 2.9 | -166.5 | -117.9 | 163.2 | 0 | 0 | 0 | 115.4 | | |
| 97 | E | 52.3 | Low | 60.4 | Low | 182 Ų | 182 | 136.2 Ų | 136.2 | 85% | 0.85 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -110.4 | 19 | -169.5 | -63.2 | -171.9 | 162.1 | 0 | 0 | 115.1 | | |
| 98 | Q | 52.8 | Low | 57.9 | Low | 132 Ų | 132 | 139.3 Ų | 139.3 | 62% | 0.617 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -138.4 | 6 | -173.2 | -87.7 | -166.2 | -37.4 | 0 | 0 | 118.4 | S64 | S64-Q98 PolarHBondContact OG-OE1 2.9Š|
| 99 | E | 48.7 | Very low | 55.8 | Low | 116 Ų | 116 | 143.3 Ų | 143.3 | 54% | 0.542 | 70% | 0.695 | S | S | . | * | S | Bend | trans | -99.4 | -11 | -173.4 | -143.8 | 176.6 | 156 | 0 | 0 | 116 | V66 Q68 | V66-E99 WeakPolarHBondContact CB-OE2 3.42Å; V66-E99 VanDerWaalsContact CG1-OE2 3.23Å; V66-E99 WeakPolarHBondContact CG1-OE2 3.47Å; V66-E99 HydrophobicContact CG2-CB 4.15Å; V66-E99 HydrophobicContact CG2-CG 4.3Å; Q68-E99 PolarHBondContact NE2-OE1 3.24Å |
| 100 | E | 41.9 | Very low | 53.9 | Low | 204 Ų | 204 | 147.6 Ų | 147.6 | 95% | 0.953 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -110.5 | 8.8 | -173 | -89.1 | -175 | 130.7 | 0 | 0 | 116 | | |
| 101 | S | 43.8 | Very low | 52.4 | Low | 102 Ų | 102 | 143.5 Ų | 143.5 | 71% | 0.713 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -130.3 | 19 | -171.4 | 55.2 | 0 | 0 | 0 | 0 | 115.7 | | |
| 102 | R | 42.8 | Very low | 51.3 | Low | 236 Ų | 236 | 147.1 Ų | 147.1 | 89% | 0.891 | 73% | 0.734 | S | S | * | * | | | trans | -105.2 | 15.5 | -174.6 | -141 | 178 | -175.9 | 177.3 | 1.5 | 115.9 | | |
| 103 | E | 39.1 | Very low | 50.5 | Low | 181 Ų | 181 | 151 Ų | 151 | 85% | 0.846 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -129.2 | 59.1 | 179.9 | -64.9 | -168.7 | 148 | 0 | 0 | 112.9 | | |
| 104 | Q | 40 | Very low | 50.4 | Low | 192 Ų | 192 | 150 Ų | 150 | 90% | 0.897 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -174.1 | 145.7 | 149.7 | -105.8 | 151.7 | 43.8 | 0 | 0 | 114.4 | | |
| 105 | A | 41.6 | Very low | 50.9 | Low | 101 Ų | 101 | 150.2 Ų | 150.2 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | | | trans | 68 | 139.9 | 159.7 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 106 | Q | 46 | Very low | 52 | Low | 146 Ų | 146 | 148.4 Ų | 148.4 | 68% | 0.682 | 77% | 0.767 | S | S | * | * | | | trans | -72.7 | 150.6 | 175.7 | -67.7 | 156.4 | -112.6 | 0 | 0 | 111.5 | E108 | Q106-E108 HydrophobicContact CB-CG 3.91Å; Q106-E108 PolarHBondContact NE2-OE1 3.18Å; Q106-E108 PolarHBondContact O-N 2.74Å |
| 107 | P | 47.7 | Very low | 53.4 | Low | 134 Ų | 134 | 148 Ų | 148 | 87% | 0.87 | 76% | 0.764 | S | S | * | * | | | trans | -82.2 | 84.6 | 162.7 | 34.3 | -29.9 | 0 | 0 | 0 | 109.4 | | |
| 108 | E | 38.5 | Very low | 54.7 | Low | 144 Ų | 144 | 147.3 Ų | 147.3 | 67% | 0.673 | 76% | 0.761 | S | S | * | * | | | trans | -104.3 | 151.6 | 161.1 | -41 | -81 | 135.3 | 0 | 0 | 107.2 | Q106 | Q106-E108 HydrophobicContact CB-CG 3.91Å; Q106-E108 PolarHBondContact NE2-OE1 3.18Å; Q106-E108 PolarHBondContact O-N 2.74Å |
| 109 | D | 49.8 | Very low | 56 | Low | 157 Ų | 157 | 149.5 Ų | 149.5 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | | | trans | 84.4 | 80.6 | 177.2 | -136.4 | 33.3 | 0 | 0 | 0 | 117.7 | | |
| 110 | D | 50.3 | Low | 57.4 | Low | 138 Ų | 138 | 148.6 Ų | 148.6 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | | | | 16 | 104.9 | 124.7 | -163 | 8 | 0 | 0 | 0 | 118.5 | | |
| 111 | S | 57.5 | Low | 58.3 | Low | 93 Ų | 93 | 146.8 Ų | 146.8 | 65% | 0.65 | 77% | 0.772 | S | S | * | * | | | trans | -160.9 | 106.1 | 154 | -79.1 | 0 | 0 | 0 | 0 | 110.9 | D113 | S111-D113 PolarHBondContact O-N 3.46Š|
| 112 | D | 61.7 | Low | 59.4 | Low | 165 Ų | 165 | 146.9 Ų | 146.9 | 88% | 0.882 | 77% | 0.771 | S | S | * | * | | | trans | -71.6 | 65.7 | 168.7 | -83.4 | -41 | 0 | 0 | 0 | 111.3 | E114 | D112-E114 PolarHBondContact O-N 3.44Š|
| 113 | D | 65.2 | Low | 60 | Low | 134 Ų | 134 | 144.3 Ų | 144.3 | 72% | 0.717 | 77% | 0.766 | S | S | * | * | | | trans | -71 | 98.3 | 173 | -85.1 | -38.5 | 0 | 0 | 0 | 110.7 | S111 L115 | S111-D113 PolarHBondContact O-N 3.46Å; D113-L115 PolarHBondContact O-N 3.25Å |
| 114 | E | 69.7 | Low | 60.8 | Low | 170 Ų | 170 | 140.8 Ų | 140.8 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | | | trans | -56.5 | 110.5 | 177.2 | -170.7 | -176.6 | 164.3 | 0 | 0 | 111.1 | D112 V116 | D112-E114 PolarHBondContact O-N 3.44Å; E114-V116 VanDerWaalsContact C-N 3.27Å; E114-V116 HydrophobicContact CB-CG2 4.41Å; E114-V116 HydrophobicContact CG-CG2 3.91Å; E114-V116 PolarHBondContact O-N 3.4Å |
| 115 | L | 73.6 | Confident | 61.4 | Low | 166 Ų | 166 | 139.8 Ų | 139.8 | 87% | 0.869 | 76% | 0.763 | S | S | * | * | | | trans | -73.2 | 73.1 | -178.6 | -63.7 | -179.5 | 0 | 0 | 0 | 112.5 | D113 L117 | D113-L115 PolarHBondContact O-N 3.25Å; L115-L117 PolarHBondContact O-N 3.13Å; L115-L117 VanDerWaalsContact O-N 3.13Å |
| 116 | V | 78.8 | Confident | 61.7 | Low | 79 Ų | 79 | 140.2 Ų | 140.2 | 48% | 0.479 | 76% | 0.76 | S | S | . | * | | | trans | -74.1 | 101.8 | 178.9 | -173.8 | 0 | 0 | 0 | 0 | 111.2 | E114 H118 | E114-V116 VanDerWaalsContact C-N 3.27Å; E114-V116 HydrophobicContact CB-CG2 4.41Å; E114-V116 HydrophobicContact CG-CG2 3.91Å; E114-V116 PolarHBondContact O-N 3.4Å; V116-H118 WeakPolarHBondContact CG1-NE2 3.13Å; V116-H118 PolarHBondContact O-N 3.42Å |
| 117 | L | 78.9 | Confident | 61.8 | Low | 136 Ų | 136 | 140.3 Ų | 140.3 | 71% | 0.712 | 76% | 0.762 | S | S | * | * | | | trans | -84.4 | 93.5 | -179.9 | -144.7 | 75.1 | 0 | 0 | 0 | 112 | L115 F119 | L115-L117 PolarHBondContact O-N 3.13Å; L115-L117 VanDerWaalsContact O-N 3.13Å; L117-F119 HydrophobicContact CD2-CE1 4.49Å; L117-F119 HydrophobicContact CD2-CE2 4.16Å; L117-F119 HydrophobicContact CD2-CZ 3.76Å; L117-F119 PolarHBondContact O-N 3.06Å |
| 118 | H | 80.5 | Confident | 62 | Low | 168 Ų | 168 | 139.2 Ų | 139.2 | 78% | 0.778 | 76% | 0.755 | S | S | * | * | | | trans | -78.2 | 105.7 | 178.4 | -70.8 | -69.3 | 0 | 0 | 0 | 113.1 | V116 A120 | V116-H118 WeakPolarHBondContact CG1-NE2 3.13Å; V116-H118 PolarHBondContact O-N 3.42Å; H118-A120 PolarHBondContact O-N 2.05Å |
| 119 | F | 79.8 | Confident | 62.4 | Low | 177 Ų | 177 | 142.9 Ų | 142.9 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | | | trans | -79.4 | 112.7 | 166.5 | -64.6 | -77 | 0 | 0 | 0 | 110.9 | L117 H121 | L117-F119 HydrophobicContact CD2-CE1 4.49Å; L117-F119 HydrophobicContact CD2-CE2 4.16Å; L117-F119 HydrophobicContact CD2-CZ 3.76Å; L117-F119 PolarHBondContact O-N 3.06Å; F119-H121 PolarHBondContact O-N 2.78Å |
| 120 | A | 77.3 | Confident | 62.1 | Low | 98 Ų | 98 | 143.8 Ų | 143.8 | 81% | 0.81 | 76% | 0.762 | S | S | * | * | | | trans | -63.5 | 108.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | H118 P122 | H118-A120 PolarHBondContact O-N 2.05Å; A120-P122 WeakPolarHBondContact O-CD 3.13Å |
| 121 | H | 61.5 | Low | 62 | Low | 166 Ų | 166 | 145.6 Ų | 145.6 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | | | trans | -59 | 122.5 | 173.1 | -167.9 | -60.9 | 0 | 0 | 0 | 108.1 | F119 K123 | F119-H121 PolarHBondContact O-N 2.78Å; H121-K123 PolarHBondContact O-N 3.14Å |
| 122 | P | 67.4 | Low | 61.9 | Low | 104 Ų | 104 | 149.5 Ų | 149.5 | 68% | 0.675 | 77% | 0.774 | S | S | * | * | | | trans | -60.1 | 115 | 174.9 | 23.8 | -31.5 | 0 | 0 | 0 | 107.3 | A120 A124 | A120-P122 WeakPolarHBondContact O-CD 3.13Å; P122-A124 PolarHBondContact O-N 3.17Å |
| 123 | K | 54.7 | Low | 61.1 | Low | 181 Ų | 181 | 147.3 Ų | 147.3 | 79% | 0.787 | 77% | 0.769 | S | S | * | * | | | trans | -57.5 | 131.9 | 168.6 | -79.8 | -178.7 | 176.6 | 175.3 | 0 | 106.2 | H121 Q125 | H121-K123 PolarHBondContact O-N 3.14Å; K123-Q125 PolarHBondContact O-N 3.29Å |
| 124 | A | 57.2 | Low | 60.3 | Low | 108 Ų | 108 | 147.9 Ų | 147.9 | 89% | 0.893 | 77% | 0.771 | S | S | * | * | | | trans | -69 | 72 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | P122 S126 | P122-A124 PolarHBondContact O-N 3.17Å; A124-S126 PolarHBondContact O-N 3.23Å |
| 125 | Q | 51.7 | Low | 59 | Low | 170 Ų | 170 | 145.5 Ų | 145.5 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 117.1 | 163.4 | -68.9 | -170.1 | -6.7 | 0 | 0 | 106.1 | K123 M127 | K123-Q125 PolarHBondContact O-N 3.29Å; Q125-M127 PolarHBondContact O-N 3.37Å |
| 126 | S | 48.4 | Very low | 57.4 | Low | 110 Ų | 110 | 143.5 Ų | 143.5 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 124.9 | 177.5 | 48.4 | 0 | 0 | 0 | 0 | 109.7 | A124 P128 | A124-S126 PolarHBondContact O-N 3.23Å; S126-P128 VanDerWaalsContact O-N 3.17Å |
| 127 | M | 48.7 | Very low | 55.5 | Low | 149 Ų | 149 | 145.2 Ų | 145.2 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -47.3 | 123.6 | 171.4 | -75 | -66.3 | -62.9 | 0 | 0 | 109.1 | Q125 R129 | Q125-M127 PolarHBondContact O-N 3.37Å; M127-R129 PolarHBondContact O-N 2.74Å |
| 128 | P | 50.2 | Low | 53.7 | Low | 110 Ų | 110 | 147.5 Ų | 147.5 | 71% | 0.714 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -59 | 137.9 | 167.2 | 26.5 | -31.8 | 0 | 0 | 0 | 107.5 | S126 E130 | S126-P128 VanDerWaalsContact O-N 3.17Å; P128-E130 PolarHBondContact O-N 3.1Å |
| 129 | R | 47.9 | Very low | 52.1 | Low | 221 Ų | 221 | 147 Ų | 147 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 134.7 | -170.9 | -157.1 | 179 | -169.7 | -169.7 | 2.5 | 109.1 | M127 E131 | M127-R129 PolarHBondContact O-N 2.74Å; R129-E131 PolarHBondContact O-N 3.04Å |
| 130 | E | 43.8 | Very low | 50.6 | Low | 177 Ų | 177 | 141.6 Ų | 141.6 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | | | trans | -58.8 | 109.3 | 177.4 | -51.9 | -92.4 | 153.1 | 0 | 0 | 109.6 | P128 | P128-E130 PolarHBondContact O-N 3.1Š|
| 131 | E | 48.6 | Very low | 48.9 | Very low | 175 Ų | 175 | 146.2 Ų | 146.2 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | -126.6 | 110.9 | 173.5 | 50.5 | -166 | 94.5 | 0 | 0 | 112.8 | R129 | R129-E131 PolarHBondContact O-N 3.04Š|
| 132 | E | 54.5 | Low | 48.3 | Very low | 175 Ų | 175 | 147.3 Ų | 147.3 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | trans | 52.5 | 132.9 | 172.8 | -88.4 | -167.8 | 89.1 | 0 | 0 | 123.4 | | |
| 133 | P | 45.9 | Very low | 47.3 | Very low | 120 Ų | 120 | 151.6 Ų | 151.6 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | | | trans | -93.1 | 110.4 | 178.6 | 36 | -29.7 | 0 | 0 | 0 | 111.9 | | |
| 134 | L | 47.3 | Very low | 47.3 | Very low | 145 Ų | 145 | 146 Ų | 146 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | | | trans | -104.6 | 113.7 | 175.4 | -71.4 | 176.8 | 0 | 0 | 0 | 113.5 | | |
| 135 | T | 43.2 | Very low | 47.5 | Very low | 120 Ų | 120 | 148 Ų | 148 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | | | trans | 67.4 | 116.9 | 146.4 | 38.9 | 0 | 0 | 0 | 0 | 121 | | |
| 136 | T | 40.1 | Very low | 47.8 | Very low | 124 Ų | 124 | 145.1 Ų | 145.1 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | | | | 78.3 | 94.6 | 128.9 | -50.4 | 0 | 0 | 0 | 0 | 118.4 | | |
| 137 | C | 38.4 | Very low | 48.5 | Very low | 115 Ų | 115 | 144.1 Ų | 144.1 | 78% | 0.777 | 78% | 0.781 | S | S | * | * | | | trans | -151.9 | 113.5 | 130.2 | -98.5 | 0 | 0 | 0 | 0 | 109.6 | I139 | C137-I139 PolarHBondContact O-N 2.7Å; C137-I139 VanDerWaalsContact O-N 3.14Å |
| 138 | L | 40.9 | Very low | 49.4 | Very low | 185 Ų | 185 | 147.5 Ų | 147.5 | 97% | 0.969 | 79% | 0.786 | S | S | * | * | | | trans | -74.7 | 99.7 | 173.2 | -71.8 | 170.9 | 0 | 0 | 0 | 109 | | |
| 139 | I | 47.2 | Very low | 50.6 | Low | 157 Ų | 157 | 150.4 Ų | 150.4 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | | | trans | -96.5 | 114.5 | 171.1 | -64 | 171.8 | 0 | 0 | 0 | 107.3 | C137 | C137-I139 PolarHBondContact O-N 2.7Å; C137-I139 VanDerWaalsContact O-N 3.14Å |
| 140 | G | 47 | Very low | 52 | Low | 64 Ų | 64 | 149.6 Ų | 149.6 | 66% | 0.66 | 80% | 0.797 | S | S | * | * | | | trans | -60.6 | 157.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | F142 | G140-F142 PolarHBondContact O-N 2.73Å; G140-F142 VanDerWaalsContact O-N 3.14Å |
| 141 | E | 41.7 | Very low | 53.8 | Low | 194 Ų | 194 | 152.6 Ų | 152.6 | 91% | 0.907 | 80% | 0.8 | S | S | * | * | | | trans | -50.6 | 114.1 | -174.2 | -64.9 | 159.3 | 122.1 | 0 | 0 | 112.7 | | |
| 142 | F | 49.1 | Very low | 55.4 | Low | 189 Ų | 189 | 148 Ų | 148 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | | | trans | -125.8 | 82.2 | 154.8 | -146.4 | -95.7 | 0 | 0 | 0 | 108.5 | G140 A144 | G140-F142 PolarHBondContact O-N 2.73Å; G140-F142 VanDerWaalsContact O-N 3.14Å; F142-A144 HydrophobicContact CD1-CB 3.72Å; F142-A144 HydrophobicContact CE1-CB 3.89Å; F142-A144 PolarHBondContact O-N 3.14Å |
| 143 | E | 46 | Very low | 56.8 | Low | 194 Ų | 194 | 145.5 Ų | 145.5 | 91% | 0.907 | 79% | 0.79 | S | S | * | * | | | trans | -72.5 | 57.5 | 178.1 | -159.5 | -174.6 | -151.7 | 0 | 0 | 111.3 | | |
| 144 | A | 55.5 | Low | 58.7 | Low | 65 Ų | 65 | 149.9 Ų | 149.9 | 54% | 0.537 | 79% | 0.791 | S | S | . | * | | | trans | -95.2 | 94 | 165.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | F142 | F142-A144 HydrophobicContact CD1-CB 3.72Å; F142-A144 HydrophobicContact CE1-CB 3.89Å; F142-A144 PolarHBondContact O-N 3.14Å |
| 145 | L | 61.1 | Low | 60.5 | Low | 149 Ų | 149 | 149.6 Ų | 149.6 | 78% | 0.78 | 80% | 0.795 | S | S | * | * | | | trans | -38.6 | 136.1 | 168.8 | -75.3 | 165.3 | 0 | 0 | 0 | 110 | A147 | L145-A147 VanDerWaalsContact C-N 3.31Å; L145-A147 PolarHBondContact O-N 3.07Å |
| 146 | P | 58.5 | Low | 62.4 | Low | 109 Ų | 109 | 154 Ų | 154 | 71% | 0.708 | 80% | 0.798 | S | S | * | * | | | trans | -63.3 | 99.8 | 175.1 | 26.7 | -33.1 | 0 | 0 | 0 | 107.7 | R148 | P146-R148 PolarHBondContact O-N 2.9Š|
| 147 | A | 63.9 | Low | 64.5 | Low | 90 Ų | 90 | 157.3 Ų | 157.3 | 74% | 0.744 | 80% | 0.802 | S | S | * | * | | | trans | -68.2 | 75 | 174.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | L145 L149 | L145-A147 VanDerWaalsContact C-N 3.31Å; L145-A147 PolarHBondContact O-N 3.07Å; A147-L149 PolarHBondContact O-N 3.13Å |
| 148 | R | 66.6 | Low | 66.7 | Low | 220 Ų | 220 | 155.9 Ų | 155.9 | 83% | 0.83 | 80% | 0.798 | S | S | * | * | | | trans | -47.4 | 117.5 | -178.3 | -72.5 | -174 | 170.1 | -154.2 | -3.7 | 107.3 | P146 K150 | P146-R148 PolarHBondContact O-N 2.9Å; R148-K150 VanDerWaalsContact C-N 3.33Å; R148-K150 PolarHBondContact O-N 3.04Å |
| 149 | L | 74.7 | Confident | 68.7 | Low | 171 Ų | 171 | 158.8 Ų | 158.8 | 90% | 0.895 | 80% | 0.796 | S | S | * | * | | | trans | -51.7 | 98.6 | -176.9 | -102.9 | 67.9 | 0 | 0 | 0 | 109.3 | A147 R151 | A147-L149 PolarHBondContact O-N 3.13Å; L149-R151 PolarHBondContact O-N 2.8Å; L149-R151 VanDerWaalsContact O-N 3.1Å |
| 150 | K | 78.5 | Confident | 70.3 | Confident | 204 Ų | 204 | 158 Ų | 158 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | | | trans | -76.8 | 107.6 | -169.7 | -139.7 | 175.3 | -175.2 | 178.8 | 0 | 106.3 | R148 S152 | R148-K150 VanDerWaalsContact C-N 3.33Å; R148-K150 PolarHBondContact O-N 3.04Å; K150-S152 PolarHBondContact O-N 3.29Å |
| 151 | R | 80.6 | Confident | 71.6 | Confident | 239 Ų | 239 | 158.2 Ų | 158.2 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | | | trans | -52.8 | 134.9 | 176.3 | -68.7 | -179.6 | 176.5 | 166.2 | -1.7 | 108.7 | L149 S153 | L149-R151 PolarHBondContact O-N 2.8Å; L149-R151 VanDerWaalsContact O-N 3.1Å; R151-S153 PolarHBondContact O-N 3.22Å |
| 152 | S | 83.5 | Confident | 73.2 | Confident | 78 Ų | 78 | 153.6 Ų | 153.6 | 55% | 0.545 | 79% | 0.785 | S | S | . | * | | | trans | -63.1 | 124.5 | -176.3 | 71.9 | 0 | 0 | 0 | 0 | 110.3 | K150 R154 | K150-S152 PolarHBondContact O-N 3.29Å; S152-R154 PolarHBondContact O-N 3.41Å |
| 153 | S | 82.8 | Confident | 74.7 | Confident | 124 Ų | 124 | 148.7 Ų | 148.7 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | | | trans | -73.7 | -4.5 | 173.8 | 52.8 | 0 | 0 | 0 | 0 | 113.7 | R151 V155 | R151-S153 PolarHBondContact O-N 3.22Å; S153-V155 PolarHBondContact O-N 3.04Å; S153-V155 VanDerWaalsContact O-N 3.17Å |
| 154 | R | 85.8 | Confident | 76 | Confident | 212 Ų | 212 | 144 Ų | 144 | 80% | 0.8 | 76% | 0.76 | S | S | * | * | | | trans | -67.5 | 112.9 | -178.1 | -165.2 | 175.3 | -169.4 | 175.2 | 3.4 | 110.1 | S152 R156 | S152-R154 PolarHBondContact O-N 3.41Å; R154-R156 PolarHBondContact O-N 2.95Å; R154-R156 VanDerWaalsContact O-N 3.13Å |
| 155 | V | 84.4 | Confident | 76.6 | Confident | 139 Ų | 139 | 147.6 Ų | 147.6 | 84% | 0.842 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 117.8 | 170.9 | -179.6 | 0 | 0 | 0 | 0 | 108.5 | S153 | S153-V155 PolarHBondContact O-N 3.04Å; S153-V155 VanDerWaalsContact O-N 3.17Å |
| 156 | R | 84.1 | Confident | 76.2 | Confident | 212 Ų | 212 | 150 Ų | 150 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 120.4 | 174.9 | -65 | -175.5 | 178.8 | -164.9 | -2.1 | 107.8 | R154 A158 | R154-R156 PolarHBondContact O-N 2.95Å; R154-R156 VanDerWaalsContact O-N 3.13Å; R156-A158 PolarHBondContact O-N 3.31Å |
| 157 | K | 85 | Confident | 77 | Confident | 194 Ų | 194 | 152.1 Ų | 152.1 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 132.6 | 168.8 | -172.9 | 175.2 | 179.2 | 178.7 | 0 | 108 | R159 | K157-R159 PolarHBondContact O-N 3.23Š|
| 158 | A | 84 | Confident | 77.7 | Confident | 85 Ų | 85 | 155.4 Ų | 155.4 | 70% | 0.702 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -57 | 136.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | R156 T160 | R156-A158 PolarHBondContact O-N 3.31Å; A158-T160 PolarHBondContact O-N 3.41Å |
| 159 | R | 82.7 | Confident | 78.4 | Confident | 245 Ų | 245 | 151.8 Ų | 151.8 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 122.7 | 168.2 | -68 | -179.2 | 177 | 176.9 | -3 | 106.9 | K157 C161 | K157-R159 PolarHBondContact O-N 3.23Å; R159-C161 PolarHBondContact O-N 3.28Å |
| 160 | T | 80.4 | Confident | 78.6 | Confident | 141 Ų | 141 | 150.6 Ų | 150.6 | 87% | 0.865 | 79% | 0.791 | S | S | * | * | | | trans | -64 | 115.4 | 167.1 | 44.7 | 0 | 0 | 0 | 0 | 107.9 | A158 | A158-T160 PolarHBondContact O-N 3.41Š|
| 161 | C | 74.6 | Confident | 78.6 | Confident | 68 Ų | 68 | 147.3 Ų | 147.3 | 46% | 0.459 | 79% | 0.785 | S | S | . | * | | | trans | -81.5 | 118.8 | 168.3 | -155.9 | 0 | 0 | 0 | 0 | 108.2 | R159 C163 C164 | R159-C161 PolarHBondContact O-N 3.28Å; C161-C163 HydrophobicContact CB-CB 4.31Å; C161-C163 WeakPolarHBondContact CB-SG 3.42Å; C161-C163 PolarHBondContact O-N 3.05Å; C161-C163 WeakPolarHBondContact SG-CB 3.43Å; C161-C163 CovalentContact SG-SG 2.05Å; C161-C163 PolarHBondContact SG-SG 3.47Å; C161-C164 PolarHBondContact O-N 2.71Å |
| 162 | A | 75.7 | Confident | 78.4 | Confident | 98 Ų | 98 | 141.2 Ų | 141.2 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | 3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 163 | C | 79.9 | Confident | 78.1 | Confident | 85 Ų | 85 | 145.7 Ų | 145.7 | 57% | 0.574 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -6.6 | 178.8 | 69.1 | 0 | 0 | 0 | 0 | 114.2 | C161 | C161-C163 HydrophobicContact CB-CB 4.31Å; C161-C163 WeakPolarHBondContact CB-SG 3.42Å; C161-C163 PolarHBondContact O-N 3.05Å; C161-C163 WeakPolarHBondContact SG-CB 3.43Å; C161-C163 CovalentContact SG-SG 2.05Å; C161-C163 PolarHBondContact SG-SG 3.47Å |
| 164 | C | 72.8 | Confident | 77.7 | Confident | 95 Ų | 95 | 147.4 Ų | 147.4 | 64% | 0.642 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -102.6 | 7.3 | -174.5 | -62.3 | 0 | 0 | 0 | 0 | 113.6 | C161 | C161-C164 PolarHBondContact O-N 2.71Š|
| 165 | D | 68.5 | Low | 77 | Confident | 142 Ų | 142 | 142 Ų | 142 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | | | trans | -105.9 | 57.3 | 178.3 | -60.1 | -41.2 | 0 | 0 | 0 | 110.4 | | |
| 166 | T | 52.4 | Low | 76.4 | Confident | 200 Ų | 200 | 142.3 Ų | 142.3 | 100% | 1.227 | 78% | 0.782 | S | S | * | * | | | trans | -145.7 | 0 | 170.6 | 57.7 | 0 | 0 | 0 | 0 | 110.5 | | |