| 1 | M | 41.7 | Very low | 50.6 | Low | 236 Ų | 236 | 156.9 Ų | 156.9 | 100% | 1.163 | 86% | 0.861 | S | S | * | * | | | | 0 | 138 | 0 | -70.3 | -61.9 | 165.6 | 0 | 0 | 108.1 | | |
| 2 | P | 48.6 | Very low | 50.7 | Low | 127 Ų | 127 | 152.7 Ų | 152.7 | 83% | 0.825 | 85% | 0.851 | S | S | * | * | | | cis | -125.5 | 160.6 | -8.5 | 33.8 | -15.3 | 0 | 0 | 0 | 114.4 | | |
| 3 | R | 41.4 | Very low | 50.9 | Low | 239 Ų | 239 | 150 Ų | 150 | 90% | 0.902 | 85% | 0.849 | S | S | * | * | | | trans | -113.4 | 135.3 | 170.2 | -162.9 | -176.2 | -160.8 | 160.3 | 4 | 105.9 | | |
| 4 | A | 48.1 | Very low | 51.3 | Low | 103 Ų | 103 | 144.9 Ų | 144.9 | 85% | 0.851 | 83% | 0.834 | S | S | * | * | | | trans | -158.6 | 115.4 | 162.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 5 | L | 49.9 | Very low | 51.4 | Low | 154 Ų | 154 | 148.6 Ų | 148.6 | 81% | 0.806 | 83% | 0.831 | S | S | * | * | | | trans | -65 | 147.3 | 164.2 | -87.3 | 78.3 | 0 | 0 | 0 | 110.4 | | |
| 6 | S | 45.4 | Very low | 51.4 | Low | 101 Ų | 101 | 147.1 Ų | 147.1 | 71% | 0.706 | 83% | 0.833 | S | S | * | * | | | trans | -163.5 | 104.7 | 148.8 | -168.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 7 | H | 54 | Low | 51.9 | Low | 174 Ų | 174 | 150.1 Ų | 150.1 | 81% | 0.806 | 83% | 0.828 | S | S | * | * | | | trans | 48.7 | 112.1 | 135.1 | -49.3 | -58.8 | 0 | 0 | 0 | 122.3 | | |
| 8 | S | 54.2 | Low | 51.8 | Low | 123 Ų | 123 | 148.4 Ų | 148.4 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | | | trans | -156.2 | 143.7 | 140.4 | 76.6 | 0 | 0 | 0 | 0 | 107.9 | | |
| 9 | K | 57.6 | Low | 52.4 | Low | 202 Ų | 202 | 150.4 Ų | 150.4 | 88% | 0.878 | 83% | 0.828 | S | S | * | * | | | cis | -162.4 | 148.3 | -12.8 | -166.7 | 166.5 | -178.9 | 176.3 | 0 | 104.6 | | |
| 10 | A | 57.3 | Low | 52.5 | Low | 96 Ų | 96 | 148.6 Ų | 148.6 | 79% | 0.793 | 83% | 0.826 | S | S | * | * | | | trans | -53 | 139.8 | -166.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 11 | I | 58.2 | Low | 52.5 | Low | 171 Ų | 171 | 153.4 Ų | 153.4 | 88% | 0.877 | 83% | 0.832 | S | S | * | * | | | trans | -91.8 | 107.7 | 159.4 | -60.7 | 172.1 | 0 | 0 | 0 | 106.9 | S13 | I11-S13 PolarHBondContact O-N 2.95Š|
| 12 | S | 51.9 | Low | 53.4 | Low | 106 Ų | 106 | 147.3 Ų | 147.3 | 74% | 0.741 | 81% | 0.812 | S | S | * | * | | | trans | -82.3 | 101.9 | 177.1 | 177.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 13 | S | 53.6 | Low | 53.6 | Low | 118 Ų | 118 | 147.8 Ų | 147.8 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | | | trans | -80.4 | 106.6 | 162.2 | 168.3 | 0 | 0 | 0 | 0 | 108.6 | I11 | I11-S13 PolarHBondContact O-N 2.95Š|
| 14 | A | 56.5 | Low | 54.4 | Low | 78 Ų | 78 | 139.6 Ų | 139.6 | 65% | 0.645 | 81% | 0.806 | S | S | * | * | | | trans | -129.1 | 87.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 15 | Y | 52.6 | Low | 54.8 | Low | 201 Ų | 201 | 140 Ų | 140 | 79% | 0.788 | 80% | 0.802 | S | S | * | * | | | trans | 7 | 112.2 | 136.9 | -166.3 | -102.4 | 0 | 0 | 0 | 116.2 | R17 | Y15-R17 HydrophobicContact CE1-CG 4.06Š|
| 16 | S | 52 | Low | 54.9 | Low | 124 Ų | 124 | 144.5 Ų | 144.5 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | | | trans | -129.7 | 107.6 | 160.5 | -91.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 17 | R | 58.8 | Low | 55.5 | Low | 198 Ų | 198 | 145.1 Ų | 145.1 | 75% | 0.747 | 81% | 0.813 | S | S | * | * | | | trans | -21.4 | 119.9 | 173.1 | -76.4 | 160.6 | 79.1 | 165.8 | 5.4 | 115.9 | Y15 K19 | Y15-R17 HydrophobicContact CE1-CG 4.06Å; R17-K19 PolarHBondContact O-N 3.18Å |
| 18 | S | 50.6 | Low | 55.8 | Low | 120 Ų | 120 | 142.1 Ų | 142.1 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | | | trans | -58.7 | 122 | 147.2 | 41.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 19 | K | 62.3 | Low | 56.5 | Low | 187 Ų | 187 | 141.2 Ų | 141.2 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | | | trans | -108 | 102.1 | 169.7 | -142.6 | 174.5 | -173.8 | 177.8 | 0 | 107 | R17 R21 | R17-K19 PolarHBondContact O-N 3.18Å; K19-R21 PolarHBondContact O-N 3.23Å |
| 20 | S | 54.9 | Low | 56.7 | Low | 113 Ų | 113 | 136.8 Ų | 136.8 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | | | trans | -55.9 | 129.8 | 169.4 | 45.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 21 | R | 53.8 | Low | 56.4 | Low | 251 Ų | 251 | 139.8 Ų | 139.8 | 95% | 0.947 | 79% | 0.792 | S | S | * | * | | | trans | -116.3 | 109.4 | 162.1 | -111.5 | -179.5 | 165.2 | -170.6 | -4.8 | 106.6 | K19 | K19-R21 PolarHBondContact O-N 3.23Š|
| 22 | S | 60.3 | Low | 56.2 | Low | 107 Ų | 107 | 138.3 Ų | 138.3 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | | | trans | -54.2 | 152.6 | -179.8 | -59.5 | 0 | 0 | 0 | 0 | 113 | G24 | S22-G24 PolarHBondContact O-N 3.23Š|
| 23 | P | 52.3 | Low | 56 | Low | 138 Ų | 138 | 138.3 Ų | 138.3 | 90% | 0.896 | 78% | 0.78 | S | S | * | * | | | trans | -76.2 | 106.9 | 178 | 30.2 | -30.1 | 0 | 0 | 0 | 109.6 | | |
| 24 | G | 57.2 | Low | 55.5 | Low | 67 Ų | 67 | 138 Ų | 138 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | | | trans | -115 | 105.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S22 | S22-G24 PolarHBondContact O-N 3.23Š|
| 25 | S | 57.7 | Low | 55.1 | Low | 112 Ų | 112 | 141.5 Ų | 141.5 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | | | trans | 43.5 | 97.9 | 149.7 | 62.6 | 0 | 0 | 0 | 0 | 119.5 | S27 | S25-S27 PolarHBondContact O-N 3.17Š|
| 26 | R | 52.7 | Low | 55 | Low | 247 Ų | 247 | 142.5 Ų | 142.5 | 93% | 0.932 | 79% | 0.787 | S | S | * | * | | | trans | 21.2 | 97.1 | 131.3 | -155.9 | -179.4 | -151 | -175.6 | 5.9 | 116.4 | | |
| 27 | S | 56.8 | Low | 54.8 | Low | 114 Ų | 114 | 143.2 Ų | 143.2 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | | | trans | -116.6 | 100.1 | 158.2 | 48.9 | 0 | 0 | 0 | 0 | 108.7 | S25 | S25-S27 PolarHBondContact O-N 3.17Š|
| 28 | T | 61.4 | Low | 54.1 | Low | 111 Ų | 111 | 139.6 Ų | 139.6 | 68% | 0.681 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 128.4 | 168.8 | -46.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 29 | P | 68.3 | Low | 53.7 | Low | 105 Ų | 105 | 138.4 Ų | 138.4 | 68% | 0.682 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 135.4 | 170.9 | 27.3 | -30.4 | 0 | 0 | 0 | 108.1 | L31 | P29-L31 PolarHBondContact O-N 3.07Š|
| 30 | P | 61.2 | Low | 53 | Low | 108 Ų | 108 | 140.6 Ų | 140.6 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 130.8 | 174.4 | 25.1 | -30.5 | 0 | 0 | 0 | 108.6 | L32 | P30-L32 VanDerWaalsContact C-N 3.27Å; P30-L32 PolarHBondContact O-N 3.28Å |
| 31 | L | 51.6 | Low | 52.6 | Low | 159 Ų | 159 | 143 Ų | 143 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | | | trans | -58.7 | 93.2 | 164 | -107.1 | 114.5 | 0 | 0 | 0 | 107.7 | P29 T33 | P29-L31 PolarHBondContact O-N 3.07Å; L31-T33 PolarHBondContact O-N 2.84Å |
| 32 | L | 52.9 | Low | 52.1 | Low | 141 Ų | 141 | 136.3 Ų | 136.3 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | | | trans | -75.9 | 81.4 | 169.5 | -86.3 | 164.5 | 0 | 0 | 0 | 108.5 | P30 I35 | P30-L32 VanDerWaalsContact C-N 3.27Å; P30-L32 PolarHBondContact O-N 3.28Å; L32-I35 HydrophobicContact CD2-CD1 4.43Å |
| 33 | T | 48.3 | Very low | 51.2 | Low | 105 Ų | 105 | 135.7 Ų | 135.7 | 64% | 0.644 | 77% | 0.769 | S | S | * | * | | | trans | -75.4 | 139.1 | 155.6 | 43.8 | 0 | 0 | 0 | 0 | 108.3 | L31 | L31-T33 PolarHBondContact O-N 2.84Š|
| 34 | S | 44.1 | Very low | 51 | Low | 112 Ų | 112 | 138.4 Ų | 138.4 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | | | trans | 72.1 | 74.4 | 167.3 | 66.9 | 0 | 0 | 0 | 0 | 119.3 | | |
| 35 | I | 47.1 | Very low | 50.6 | Low | 151 Ų | 151 | 138.6 Ų | 138.6 | 77% | 0.774 | 77% | 0.767 | S | S | * | * | | | trans | -134.3 | 87.6 | 150.2 | -54.2 | -179.6 | 0 | 0 | 0 | 110.7 | L32 | L32-I35 HydrophobicContact CD2-CD1 4.43Š|
| 36 | R | 51.4 | Low | 50.1 | Low | 222 Ų | 222 | 143 Ų | 143 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | | | trans | 48.5 | 97.5 | 142.6 | -145.2 | 173.7 | -152.9 | 171 | 5.4 | 117.9 | V38 | R36-V38 PolarHBondContact O-N 3.04Š|
| 37 | T | 47.4 | Very low | 50.2 | Low | 140 Ų | 140 | 140.4 Ų | 140.4 | 86% | 0.859 | 78% | 0.775 | S | S | * | * | | | trans | -52.1 | 106.8 | 153.4 | 44.1 | 0 | 0 | 0 | 0 | 110.2 | S39 | T37-S39 VanDerWaalsContact C-N 3.28Å; T37-S39 PolarHBondContact O-N 3.24Å |
| 38 | V | 44 | Very low | 49.5 | Very low | 122 Ų | 122 | 144.1 Ų | 144.1 | 74% | 0.739 | 78% | 0.777 | S | S | * | * | | | trans | -84.5 | 81.1 | 164.7 | -170.8 | 0 | 0 | 0 | 0 | 106.9 | R36 R40 | R36-V38 PolarHBondContact O-N 3.04Å; V38-R40 PolarHBondContact O-N 3.06Å; V38-R40 VanDerWaalsContact O-N 3.14Å |
| 39 | S | 41.2 | Very low | 49 | Very low | 94 Ų | 94 | 144.2 Ų | 144.2 | 66% | 0.657 | 78% | 0.783 | S | S | * | * | | | trans | -75.6 | 95.5 | 166.8 | -174.3 | 0 | 0 | 0 | 0 | 107.8 | T37 M41 | T37-S39 VanDerWaalsContact C-N 3.28Å; T37-S39 PolarHBondContact O-N 3.24Å; S39-M41 VanDerWaalsContact C-N 3.29Å; S39-M41 PolarHBondContact O-N 3.14Å |
| 40 | R | 49.3 | Very low | 47.8 | Very low | 234 Ų | 234 | 146.6 Ų | 146.6 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | | | trans | -86.3 | 78.1 | 168.3 | -121 | 178.1 | 170.1 | 155.5 | -3.2 | 107.8 | V38 S42 | V38-R40 PolarHBondContact O-N 3.06Å; V38-R40 VanDerWaalsContact O-N 3.14Å; R40-S42 PolarHBondContact O-N 3.23Å |
| 41 | M | 45.2 | Very low | 46.7 | Very low | 163 Ų | 163 | 144.7 Ų | 144.7 | 80% | 0.803 | 79% | 0.789 | S | S | * | * | | | trans | -66.6 | 94.9 | 163.2 | -85.4 | 162.9 | 53.3 | 0 | 0 | 108.5 | S39 S43 | S39-M41 VanDerWaalsContact C-N 3.29Å; S39-M41 PolarHBondContact O-N 3.14Å; M41-S43 PolarHBondContact O-N 3.45Å |
| 42 | S | 44.8 | Very low | 46.4 | Very low | 110 Ų | 110 | 146.7 Ų | 146.7 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | | | trans | -82.1 | 87.8 | 161.5 | 58.4 | 0 | 0 | 0 | 0 | 108.2 | R40 M44 | R40-S42 PolarHBondContact O-N 3.23Å; S42-M44 PolarHBondContact O-N 2.93Å; S42-M44 VanDerWaalsContact O-N 3.17Å |
| 43 | S | 39.6 | Very low | 45.8 | Very low | 95 Ų | 95 | 148.9 Ų | 148.9 | 66% | 0.664 | 81% | 0.805 | S | S | * | * | | | trans | -67.6 | 106.1 | 168.2 | 178.4 | 0 | 0 | 0 | 0 | 108.8 | M41 A45 | M41-S43 PolarHBondContact O-N 3.45Å; S43-A45 PolarHBondContact O-N 3.46Å; S43-A45 VanDerWaalsContact O-N 3.07Å |
| 44 | M | 49.9 | Very low | 45.8 | Very low | 195 Ų | 195 | 146.9 Ų | 146.9 | 96% | 0.961 | 81% | 0.806 | S | S | * | * | | | trans | -75.5 | 76.2 | 162.6 | -71.4 | -175.5 | -50.1 | 0 | 0 | 108.4 | S42 | S42-M44 PolarHBondContact O-N 2.93Å; S42-M44 VanDerWaalsContact O-N 3.17Å |
| 45 | A | 46.9 | Very low | 45.9 | Very low | 71 Ų | 71 | 150 Ų | 150 | 59% | 0.587 | 81% | 0.807 | S | S | * | * | | | trans | -140.3 | 121.9 | 172 | 0 | 0 | 0 | 0 | 0 | 109.6 | S43 | S43-A45 PolarHBondContact O-N 3.46Å; S43-A45 VanDerWaalsContact O-N 3.07Å |
| 46 | K | 47.8 | Very low | 45.7 | Very low | 205 Ų | 205 | 148.8 Ų | 148.8 | 89% | 0.891 | 81% | 0.81 | S | S | * | * | | | trans | 83.5 | 66.5 | 177.4 | -58.8 | 179.3 | 172.1 | 177.4 | 0 | 117 | | |
| 47 | L | 54.2 | Low | 45.3 | Very low | 191 Ų | 191 | 142.3 Ų | 142.3 | 100% | 1 | 80% | 0.797 | S | S | * | * | | | trans | -88.2 | 90.4 | 143.6 | -101.5 | 154.4 | 0 | 0 | 0 | 107.5 | | |
| 48 | K | 42.5 | Very low | 45.1 | Very low | 193 Ų | 193 | 143.5 Ų | 143.5 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | | | trans | -142.2 | 86.2 | 169.8 | -149.6 | 177.8 | -172.6 | -177.2 | 0 | 107.3 | | |
| 49 | S | 50.7 | Low | 45 | Very low | 113 Ų | 113 | 143.2 Ų | 143.2 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | | | trans | -141.1 | 106.4 | 165.4 | -174.8 | 0 | 0 | 0 | 0 | 107.5 | | |
| 50 | N | 43 | Very low | 45.2 | Very low | 155 Ų | 155 | 144.2 Ų | 144.2 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | | | trans | -73.9 | 134.7 | 170.5 | -62.8 | -37.9 | 0 | 0 | 0 | 108.2 | | |
| 51 | G | 38.4 | Very low | 45 | Very low | 67 Ų | 67 | 141.2 Ų | 141.2 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | | | trans | 101.4 | 89.5 | 161.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 52 | E | 45.5 | Very low | 44.7 | Very low | 202 Ų | 202 | 141.2 Ų | 141.2 | 94% | 0.944 | 80% | 0.803 | S | S | * | * | | | | -164.8 | 112.4 | 121.6 | -105.1 | 174.7 | 172.2 | 0 | 0 | 108.8 | G54 | E52-G54 PolarHBondContact O-N 2.9Š|
| 53 | I | 39.8 | Very low | 44.5 | Very low | 186 Ų | 186 | 144.8 Ų | 144.8 | 95% | 0.954 | 81% | 0.808 | S | S | * | * | | | trans | -75.3 | 101.1 | 177.8 | -69.8 | 161 | 0 | 0 | 0 | 106.5 | | |
| 54 | G | 48.2 | Very low | 44.4 | Very low | 64 Ų | 64 | 146.2 Ų | 146.2 | 66% | 0.66 | 80% | 0.799 | S | S | * | * | | | trans | -135.9 | 113.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | E52 | E52-G54 PolarHBondContact O-N 2.9Š|
| 55 | Q | 47.3 | Very low | 44.2 | Very low | 176 Ų | 176 | 143.6 Ų | 143.6 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | | | trans | -49.1 | 133.9 | -175.7 | -74.3 | 178.6 | -52.1 | 0 | 0 | 113.5 | | |
| 56 | P | 42.1 | Very low | 43.8 | Very low | 127 Ų | 127 | 150.1 Ų | 150.1 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | | | trans | -96.8 | 87 | 164.6 | 34.7 | -24.3 | 0 | 0 | 0 | 108.9 | | |
| 57 | C | 43.2 | Very low | 43.7 | Very low | 85 Ų | 85 | 143.4 Ų | 143.4 | 57% | 0.574 | 79% | 0.792 | S | S | * | * | | | trans | -143.5 | 134.7 | 177.7 | -48.2 | 0 | 0 | 0 | 0 | 113 | | |
| 58 | L | 44.3 | Very low | 43.5 | Very low | 165 Ų | 165 | 140.5 Ų | 140.5 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | | | trans | 81.6 | 107.7 | 161.4 | -44.8 | 171.5 | 0 | 0 | 0 | 114.1 | | |
| 59 | T | 42 | Very low | 43.8 | Very low | 116 Ų | 116 | 141 Ų | 141 | 71% | 0.712 | 77% | 0.77 | S | S | * | * | | | cis | 180 | 132.6 | 45.6 | -46.6 | 0 | 0 | 0 | 0 | 108.8 | | |
| 60 | P | 44.1 | Very low | 43.7 | Very low | 115 Ų | 115 | 146.7 Ų | 146.7 | 75% | 0.747 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -106.3 | 119.8 | 148.1 | 14.5 | 3 | 0 | 0 | 0 | 108.6 | L62 | P60-L62 PolarHBondContact O-N 3.26Š|
| 61 | L | 46.2 | Very low | 44 | Very low | 172 Ų | 172 | 143 Ų | 143 | 90% | 0.901 | 75% | 0.754 | S | S | * | * | | | trans | -39.1 | 127.1 | -174.4 | -131.9 | 85.3 | 0 | 0 | 0 | 114.2 | E63 | L61-E63 PolarHBondContact O-N 3.31Š|
| 62 | L | 38.2 | Very low | 44.4 | Very low | 162 Ų | 162 | 148.8 Ų | 148.8 | 85% | 0.848 | 76% | 0.757 | S | S | * | * | | | trans | -69.9 | 93.5 | 179.5 | -176.6 | 78.6 | 0 | 0 | 0 | 111.7 | P60 | P60-L62 PolarHBondContact O-N 3.26Š|
| 63 | E | 39.9 | Very low | 44.7 | Very low | 185 Ų | 185 | 143.5 Ų | 143.5 | 86% | 0.864 | 75% | 0.748 | S | S | * | * | | | trans | -132.6 | 78.7 | 156.7 | -157.2 | 163.8 | -163.4 | 0 | 0 | 109.3 | L61 N65 | L61-E63 PolarHBondContact O-N 3.31Å; E63-N65 PolarHBondContact O-N 3.28Å |
| 64 | W | 39.1 | Very low | 45.3 | Very low | 126 Ų | 126 | 137.6 Ų | 137.6 | 48% | 0.477 | 72% | 0.718 | S | S | . | * | | | trans | -82.2 | 91.8 | -172.7 | -176.4 | -86.2 | 0 | 0 | 0 | 110.6 | K66 R69 Y72 | W64-K66 PolarHBondContact O-N 2.74Å; W64-R69 HydrophobicContact CH2-CG 4.12Å; W64-R69 HydrophobicContact CZ2-CB 4.31Å; W64-R69 HydrophobicContact CZ2-CG 3.38Å; W64-Y72 HydrophobicContact CH2-CD2 4.48Å; W64-Y72 HydrophobicContact CZ3-CD2 4.3Å; W64-Y72 HydrophobicContact CZ3-CE2 4.08Å |
| 65 | N | 44.9 | Very low | 46 | Very low | 139 Ų | 139 | 138.5 Ų | 138.5 | 74% | 0.743 | 71% | 0.71 | S | S | * | * | | | trans | -66.6 | 125.3 | 168.1 | -100.1 | -43.7 | 0 | 0 | 0 | 109.9 | E63 G67 | E63-N65 PolarHBondContact O-N 3.28Å; N65-G67 PolarHBondContact O-N 3.33Å |
| 66 | K | 38.2 | Very low | 46.7 | Very low | 209 Ų | 209 | 137.9 Ų | 137.9 | 91% | 0.909 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.3 | 95.4 | -178.9 | -68.8 | 173.7 | 177.1 | 174.8 | 0 | 111.5 | W64 | W64-K66 PolarHBondContact O-N 2.74Š|
| 67 | G | 46.5 | Very low | 48 | Very low | 63 Ų | 63 | 135.8 Ų | 135.8 | 65% | 0.649 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 165.4 | -21 | 169.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | N65 R69 | N65-G67 PolarHBondContact O-N 3.33Å; G67-R69 PolarHBondContact O-N 2.79Å |
| 68 | E | 48.5 | Very low | 49.1 | Very low | 130 Ų | 130 | 135.9 Ų | 135.9 | 61% | 0.607 | 69% | 0.691 | S | S | * | * | | | trans | -96.6 | 27.9 | -166.4 | -58.8 | -169.1 | 162.5 | 0 | 0 | 115.3 | W70 | E68-W70 PolarHBondContact O-N 2.77Š|
| 69 | R | 49.8 | Very low | 50.2 | Low | 203 Ų | 203 | 131.3 Ų | 131.3 | 77% | 0.766 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -6 | -175 | -82.5 | -165.5 | 171.3 | -179.8 | -2.5 | 116.3 | W64 G67 | W64-R69 HydrophobicContact CH2-CG 4.12Å; W64-R69 HydrophobicContact CZ2-CB 4.31Å; W64-R69 HydrophobicContact CZ2-CG 3.38Å; G67-R69 PolarHBondContact O-N 2.79Å |
| 70 | W | 48.5 | Very low | 51.9 | Low | 234 Ų | 234 | 133.2 Ų | 133.2 | 89% | 0.886 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | -8.7 | -173.6 | -69.3 | 97.2 | 0 | 0 | 0 | 115.2 | E68 | E68-W70 PolarHBondContact O-N 2.77Š|
| 71 | L | 48.3 | Very low | 53.5 | Low | 76 Ų | 76 | 131.2 Ų | 131.2 | 40% | 0.398 | 65% | 0.653 | S | S | . | * | G | 310 helix | trans | -88.8 | -6.1 | -173.9 | -71.7 | 171.8 | 0 | 0 | 0 | 114.8 | L74 | L71-L74 HydrophobicContact CD2-CD1 4.08Š|
| 72 | Y | 47.2 | Very low | 54.9 | Low | 190 Ų | 190 | 128.3 Ų | 128.3 | 75% | 0.745 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -90.5 | -0.8 | -171.2 | -100.7 | -83.6 | 0 | 0 | 0 | 116 | W64 | W64-Y72 HydrophobicContact CH2-CD2 4.48Å; W64-Y72 HydrophobicContact CZ3-CD2 4.3Å; W64-Y72 HydrophobicContact CZ3-CE2 4.08Å |
| 73 | A | 52.1 | Low | 56.9 | Low | 91 Ų | 91 | 128.8 Ų | 128.8 | 75% | 0.752 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -94 | -1.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | T75 | A73-T75 PolarHBondContact O-N 3.24Š|
| 74 | L | 52.7 | Low | 58.6 | Low | 61 Ų | 61 | 122 Ų | 122 | 32% | 0.319 | 60% | 0.597 | S | S | . | * | | | trans | -74.9 | 114.5 | -177.6 | -68.2 | 177.6 | 0 | 0 | 0 | 109.5 | L71 E78 V79 | L71-L74 HydrophobicContact CD2-CD1 4.08Å; L74-E78 WeakPolarHBondContact CA-OE2 3.37Å; L74-E78 HydrophobicContact CB-CB 3.65Å; L74-E78 HydrophobicContact CD1-CB 4.44Å; L74-E78 HydrophobicContact CD2-CB 3.74Å; L74-E78 HydrophobicContact CD2-CG 4.13Å; L74-E78 HydrophobicContact CG-CB 4.1Å; L74-V79 HydrophobicContact CB-CG2 3.95Å |
| 75 | T | 62.1 | Low | 60.3 | Low | 83 Ų | 83 | 121.8 Ų | 121.8 | 51% | 0.509 | 60% | 0.6 | S | S | . | * | | | trans | -51.9 | 147.2 | 171.4 | 53.5 | 0 | 0 | 0 | 0 | 109.5 | A73 P77 E78 V79 | A73-T75 PolarHBondContact O-N 3.24Å; T75-P77 CarbonylContact O-C 3.58Å; T75-P77 WeakPolarHBondContact O-CD 3.25Å; T75-E78 PolarHBondContact N-OE2 3.33Å; T75-E78 WeakPolarHBondContact O-CA 3.39Å; T75-E78 WeakPolarHBondContact O-CB 3.39Å; T75-E78 PolarHBondContact O-N 3.36Å; T75-E78 VanDerWaalsContact OG1-CD 3.32Å; T75-E78 PolarHBondContact OG1-OE2 3Å; T75-V79 PolarHBondContact O-N 3.28Å |
| 76 | L | 61.8 | Low | 61.8 | Low | 163 Ų | 163 | 120.8 Ų | 120.8 | 85% | 0.853 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -34.8 | -43.8 | 178.1 | -85.4 | 157.3 | 0 | 0 | 0 | 115.8 | F80 | L76-F80 PolarHBondContact O-N 3.34Å |
| 77 | P | 70.4 | Confident | 63.6 | Low | 84 Ų | 84 | 116.3 Ų | 116.3 | 55% | 0.545 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63 | -38.3 | 174.9 | 22.3 | -34.4 | 0 | 0 | 0 | 114.1 | T75 F80 V81 | T75-P77 CarbonylContact O-C 3.58Å; T75-P77 WeakPolarHBondContact O-CD 3.25Å; P77-F80 WeakPolarHBondContact O-CB 3.46Å; P77-F80 PolarHBondContact O-N 2.94Å; P77-V81 VanDerWaalsContact O-CG2 3.25Å; P77-V81 WeakPolarHBondContact O-CG2 3.5Å; P77-V81 PolarHBondContact O-N 3.18Å |
| 78 | E | 65.3 | Low | 64.9 | Low | 87 Ų | 87 | 118.5 Ų | 118.5 | 41% | 0.407 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -69.9 | -35.3 | -178.6 | -71.4 | 167.1 | 142.8 | 0 | 0 | 112.2 | L74 T75 F80 V81 Y82 | L74-E78 WeakPolarHBondContact CA-OE2 3.37Å; L74-E78 HydrophobicContact CB-CB 3.65Å; L74-E78 HydrophobicContact CD1-CB 4.44Å; L74-E78 HydrophobicContact CD2-CB 3.74Å; L74-E78 HydrophobicContact CD2-CG 4.13Å; L74-E78 HydrophobicContact CG-CB 4.1Å; T75-E78 PolarHBondContact N-OE2 3.33Å; T75-E78 WeakPolarHBondContact O-CA 3.39Å; T75-E78 WeakPolarHBondContact O-CB 3.39Å; T75-E78 PolarHBondContact O-N 3.36Å; T75-E78 VanDerWaalsContact OG1-CD 3.32Å; T75-E78 PolarHBondContact OG1-OE2 3Å; E78-F80 VanDerWaalsContact C-N 3.33Å; E78-V81 PolarHBondContact O-N 3.32Å; E78-Y82 VanDerWaalsContact O-CB 3.27Å; E78-Y82 WeakPolarHBondContact O-CB 3.43Å; E78-Y82 PolarHBondContact O-N 2.94Å |
| 79 | V | 68.9 | Low | 65.8 | Low | 69 Ų | 69 | 115 Ų | 115 | 42% | 0.418 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65 | -40.1 | 172.5 | -179.1 | 0 | 0 | 0 | 0 | 110.7 | L74 T75 Y82 R83 | L74-V79 HydrophobicContact CB-CG2 3.95Å; T75-V79 PolarHBondContact O-N 3.28Å; V79-Y82 PolarHBondContact O-N 2.9Å; V79-R83 WeakPolarHBondContact O-CB 3.44Å; V79-R83 PolarHBondContact O-N 2.86Å |
| 80 | F | 77.2 | Confident | 66.5 | Low | 155 Ų | 155 | 111 Ų | 111 | 68% | 0.68 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.9 | -46.1 | 176.9 | -173.4 | -94.7 | 0 | 0 | 0 | 111.7 | L76 P77 E78 R83 A84 | L76-F80 PolarHBondContact O-N 3.34Å; P77-F80 WeakPolarHBondContact O-CB 3.46Å; P77-F80 PolarHBondContact O-N 2.94Å; E78-F80 VanDerWaalsContact C-N 3.33Å; F80-R83 PolarHBondContact O-N 3.2Å; F80-A84 WeakPolarHBondContact O-CB 3.47Å; F80-A84 PolarHBondContact O-N 2.86Å |
| 81 | V | 76.8 | Confident | 67.2 | Low | 73 Ų | 73 | 109 Ų | 109 | 44% | 0.442 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -58.9 | -51 | 175.4 | 171.7 | 0 | 0 | 0 | 0 | 109.8 | P77 E78 R83 A84 F85 | P77-V81 VanDerWaalsContact O-CG2 3.25Å; P77-V81 WeakPolarHBondContact O-CG2 3.5Å; P77-V81 PolarHBondContact O-N 3.18Å; E78-V81 PolarHBondContact O-N 3.32Å; V81-R83 VanDerWaalsContact C-N 3.32Å; V81-R83 PolarHBondContact O-N 3.22Å; V81-A84 PolarHBondContact O-N 3.31Å; V81-F85 HydrophobicContact CG1-CD2 3.51Å; V81-F85 HydrophobicContact CG1-CE2 3.6Å; V81-F85 WeakPolarHBondContact O-CB 3.36Å; V81-F85 VanDerWaalsContact O-CD2 3.28Å; V81-F85 WeakPolarHBondContact O-CD2 3.18Å; V81-F85 PolarHBondContact O-N 3.19Å |
| 82 | Y | 77.1 | Confident | 67.8 | Low | 112 Ų | 112 | 108.4 Ų | 108.4 | 44% | 0.439 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -56.7 | -44 | 178 | 178.8 | -99.6 | 0 | 0 | 0 | 112.5 | E78 V79 K86 | E78-Y82 VanDerWaalsContact O-CB 3.27Å; E78-Y82 WeakPolarHBondContact O-CB 3.43Å; E78-Y82 PolarHBondContact O-N 2.94Å; V79-Y82 PolarHBondContact O-N 2.9Å; Y82-K86 HydrophobicContact CE1-CD 4.39Å; Y82-K86 WeakPolarHBondContact O-CB 3.44Å; Y82-K86 PolarHBondContact O-N 3.48Å |
| 83 | R | 78.6 | Confident | 68.5 | Low | 172 Ų | 172 | 102.4 Ų | 102.4 | 65% | 0.649 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.8 | -44.9 | 176.7 | -120.8 | 179.3 | -178.7 | -103.8 | 3.1 | 112.2 | V79 F80 V81 K86 M87 | V79-R83 WeakPolarHBondContact O-CB 3.44Å; V79-R83 PolarHBondContact O-N 2.86Å; F80-R83 PolarHBondContact O-N 3.2Å; V81-R83 VanDerWaalsContact C-N 3.32Å; V81-R83 PolarHBondContact O-N 3.22Å; R83-K86 PolarHBondContact O-N 3.1Å; R83-M87 WeakPolarHBondContact O-CG 3.27Å; R83-M87 PolarHBondContact O-N 3.49Å |
| 84 | A | 76.4 | Confident | 68.8 | Low | 41 Ų | 41 | 101.5 Ų | 101.5 | 34% | 0.339 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.2 | -44.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | F80 V81 M87 L88 | F80-A84 WeakPolarHBondContact O-CB 3.47Å; F80-A84 PolarHBondContact O-N 2.86Å; V81-A84 PolarHBondContact O-N 3.31Å; A84-M87 PolarHBondContact O-N 2.87Å; A84-L88 WeakPolarHBondContact O-CB 3.28Å; A84-L88 PolarHBondContact O-N 3.47Å |
| 85 | F | 74.9 | Confident | 69.1 | Low | 123 Ų | 123 | 104.1 Ų | 104.1 | 54% | 0.539 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.1 | -45.4 | 174.3 | -89.6 | -82 | 0 | 0 | 0 | 111.4 | V81 M87 L88 M89 | V81-F85 HydrophobicContact CG1-CD2 3.51Å; V81-F85 HydrophobicContact CG1-CE2 3.6Å; V81-F85 WeakPolarHBondContact O-CB 3.36Å; V81-F85 VanDerWaalsContact O-CD2 3.28Å; V81-F85 WeakPolarHBondContact O-CD2 3.18Å; V81-F85 PolarHBondContact O-N 3.19Å; F85-M87 VanDerWaalsContact C-N 3.32Å; F85-M87 PolarHBondContact O-N 3.45Å; F85-L88 PolarHBondContact O-N 3.11Å; F85-M89 WeakPolarHBondContact O-CG 3.44Å; F85-M89 PolarHBondContact O-N 3.46Å |
| 86 | K | 76.3 | Confident | 68.8 | Low | 117 Ų | 117 | 102.7 Ų | 102.7 | 51% | 0.509 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.5 | -41.9 | 177.6 | -169.8 | 174.2 | -176.9 | 176.8 | 0 | 112.3 | Y82 R83 N90 | Y82-K86 HydrophobicContact CE1-CD 4.39Å; Y82-K86 WeakPolarHBondContact O-CB 3.44Å; Y82-K86 PolarHBondContact O-N 3.48Å; R83-K86 PolarHBondContact O-N 3.1Å; K86-N90 PolarHBondContact O-N 3.32Å; K86-N90 PolarHBondContact O-ND2 3.42Å |
| 87 | M | 76.7 | Confident | 68.5 | Low | 115 Ų | 115 | 102.4 Ų | 102.4 | 57% | 0.567 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.9 | -42.6 | 175.7 | -70.9 | -170.9 | -64.5 | 0 | 0 | 112.3 | R83 A84 F85 M89 N90 F91 | R83-M87 WeakPolarHBondContact O-CG 3.27Å; R83-M87 PolarHBondContact O-N 3.49Å; A84-M87 PolarHBondContact O-N 2.87Å; F85-M87 VanDerWaalsContact C-N 3.32Å; F85-M87 PolarHBondContact O-N 3.45Å; M87-M89 VanDerWaalsContact C-N 3.31Å; M87-M89 PolarHBondContact O-N 3.24Å; M87-N90 PolarHBondContact O-N 3.06Å; M87-F91 PolarHBondContact O-N 3.36Å; M87-F91 VanDerWaalsContact O-N 3.11Å |
| 88 | L | 72.7 | Confident | 67.6 | Low | 109 Ų | 109 | 102.5 Ų | 102.5 | 57% | 0.571 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.6 | -40.9 | 177.4 | -176.7 | 64.4 | 0 | 0 | 0 | 112 | A84 F85 F91 S92 | A84-L88 WeakPolarHBondContact O-CB 3.28Å; A84-L88 PolarHBondContact O-N 3.47Å; F85-L88 PolarHBondContact O-N 3.11Å; L88-F91 WeakPolarHBondContact O-CB 3.46Å; L88-F91 PolarHBondContact O-N 3.03Å; L88-S92 PolarHBondContact O-N 3.3Å |
| 89 | M | 66.9 | Low | 67.1 | Low | 56 Ų | 56 | 110.1 Ų | 110.1 | 28% | 0.276 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -74 | -32.5 | 179.7 | -60 | -57.9 | -79.9 | 0 | 0 | 112.6 | F85 M87 F91 S92 G93 F96 | F85-M89 WeakPolarHBondContact O-CG 3.44Å; F85-M89 PolarHBondContact O-N 3.46Å; M87-M89 VanDerWaalsContact C-N 3.31Å; M87-M89 PolarHBondContact O-N 3.24Å; M89-F91 VanDerWaalsContact C-N 3.26Å; M89-F91 PolarHBondContact O-N 2.86Å; M89-S92 PolarHBondContact O-N 3.32Å; M89-S92 PolarHBondContact O-OG 2.97Å; M89-G93 PolarHBondContact O-N 3.33Å; M89-F96 HydrophobicContact CE-CB 3.67Å; M89-F96 HydrophobicContact CE-CD2 3.49Å; M89-F96 VanDerWaalsContact CE-CD2 3.49Å; M89-F96 HydrophobicContact CE-CE2 4.12Å; M89-F96 HydrophobicContact CE-CG 3.89Å |
| 90 | N | 65 | Low | 66.4 | Low | 120 Ų | 120 | 115.3 Ų | 115.3 | 64% | 0.642 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.6 | -32 | 171.9 | -72 | -18 | 0 | 0 | 0 | 111.8 | K86 M87 | K86-N90 PolarHBondContact O-N 3.32Å; K86-N90 PolarHBondContact O-ND2 3.42Å; M87-N90 PolarHBondContact O-N 3.06Å |
| 91 | F | 63.1 | Low | 65 | Low | 193 Ų | 193 | 110 Ų | 110 | 85% | 0.846 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -70.5 | -30.6 | 175.8 | -165.4 | -96.1 | 0 | 0 | 0 | 112.6 | M87 L88 M89 | M87-F91 PolarHBondContact O-N 3.36Å; M87-F91 VanDerWaalsContact O-N 3.11Å; L88-F91 WeakPolarHBondContact O-CB 3.46Å; L88-F91 PolarHBondContact O-N 3.03Å; M89-F91 VanDerWaalsContact C-N 3.26Å; M89-F91 PolarHBondContact O-N 2.86Å |
| 92 | S | 61.7 | Low | 64 | Low | 62 Ų | 62 | 116.7 Ų | 116.7 | 43% | 0.434 | 58% | 0.577 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.1 | -3.7 | 178.7 | 63.6 | 0 | 0 | 0 | 0 | 114.5 | L88 M89 T94 | L88-S92 PolarHBondContact O-N 3.3Å; M89-S92 PolarHBondContact O-N 3.32Å; M89-S92 PolarHBondContact O-OG 2.97Å; S92-T94 PolarHBondContact O-N 3.39Å; S92-T94 PolarHBondContact OG-OG1 3.32Å |
| 93 | G | 62.2 | Low | 62.5 | Low | 65 Ų | 65 | 121.2 Ų | 121.2 | 67% | 0.67 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64 | 9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | M89 P95 | M89-G93 PolarHBondContact O-N 3.33Å; G93-P95 WeakPolarHBondContact O-CD 3.22Å |
| 94 | T | 58.5 | Low | 61.2 | Low | 72 Ų | 72 | 119 Ų | 119 | 44% | 0.442 | 60% | 0.599 | S | S | . | * | | | trans | -109.3 | 103.5 | -172.4 | 41.8 | 0 | 0 | 0 | 0 | 111.2 | S92 F96 | S92-T94 PolarHBondContact O-N 3.39Å; S92-T94 PolarHBondContact OG-OG1 3.32Å; T94-F96 PolarHBondContact O-N 3.07Å; T94-F96 VanDerWaalsContact O-N 3.13Å |
| 95 | P | 58.3 | Low | 60.1 | Low | 115 Ų | 115 | 121.5 Ų | 121.5 | 75% | 0.747 | 61% | 0.61 | S | S | * | * | | | trans | -72.9 | 105.5 | 173.2 | 27.9 | -31.2 | 0 | 0 | 0 | 109.8 | G93 | G93-P95 WeakPolarHBondContact O-CD 3.22Š|
| 96 | F | 56.6 | Low | 59.4 | Low | 54 Ų | 54 | 118.6 Ų | 118.6 | 24% | 0.237 | 60% | 0.6 | C | S | . | * | | | trans | -79.4 | -20.2 | -177.6 | -149.2 | -94.6 | 0 | 0 | 0 | 114 | M89 T94 L106 S110 | M89-F96 HydrophobicContact CE-CB 3.67Å; M89-F96 HydrophobicContact CE-CD2 3.49Å; M89-F96 VanDerWaalsContact CE-CD2 3.49Å; M89-F96 HydrophobicContact CE-CE2 4.12Å; M89-F96 HydrophobicContact CE-CG 3.89Å; T94-F96 PolarHBondContact O-N 3.07Å; T94-F96 VanDerWaalsContact O-N 3.13Å; F96-L106 HydrophobicContact CD1-CD2 4.49Å; F96-L106 HydrophobicContact CE1-CD2 3.21Å; F96-L106 HydrophobicContact CE1-CG 3.74Å; F96-L106 HydrophobicContact CE2-CD2 4.43Å; F96-L106 HydrophobicContact CZ-CD2 3.2Å; F96-L106 HydrophobicContact CZ-CG 4.23Å; F96-S110 WeakPolarHBondContact CD2-OG 3.29Å; F96-S110 WeakPolarHBondContact CE2-OG 3.48Å; F96-S110 WeakPolarHBondContact CZ-OG 3Å |
| 97 | F | 53.9 | Low | 58.6 | Low | 157 Ų | 157 | 118.6 Ų | 118.6 | 69% | 0.689 | 60% | 0.6 | S | S | * | * | | | trans | -102.1 | 109.1 | -176.6 | -67.8 | -78.5 | 0 | 0 | 0 | 109.7 | R99 T104 | F97-R99 PolarHBondContact O-N 3.37Å; F97-T104 HydrophobicContact CE1-CG2 4.31Å |
| 98 | N | 51.7 | Low | 58.1 | Low | 86 Ų | 86 | 119.3 Ų | 119.3 | 46% | 0.46 | 61% | 0.606 | S | S | . | * | | | trans | -66.5 | 102.8 | 160.8 | -176.5 | -4.7 | 0 | 0 | 0 | 107.8 | Q100 S101 | N98-Q100 PolarHBondContact O-N 3.06Å; N98-Q100 WeakPolarHBondContact OD1-CB 3.22Å; N98-Q100 PolarHBondContact OD1-N 2.9Å; N98-Q100 VanDerWaalsContact OD1-N 3.11Å; N98-S101 PolarHBondContact O-N 3.42Å |
| 99 | R | 55.7 | Low | 57.4 | Low | 246 Ų | 246 | 121.5 Ų | 121.5 | 93% | 0.928 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | -13.4 | -178.8 | -160.2 | 177.6 | -176.1 | -171.8 | 1.5 | 113.3 | F97 | F97-R99 PolarHBondContact O-N 3.37Š|
| 100 | Q | 53.6 | Low | 57.1 | Low | 179 Ų | 179 | 119.6 Ų | 119.6 | 84% | 0.836 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -12.6 | 174.7 | -80.5 | -179 | -22.3 | 0 | 0 | 114.9 | N98 | N98-Q100 PolarHBondContact O-N 3.06Å; N98-Q100 WeakPolarHBondContact OD1-CB 3.22Å; N98-Q100 PolarHBondContact OD1-N 2.9Å; N98-Q100 VanDerWaalsContact OD1-N 3.11Å |
| 101 | S | 48.4 | Very low | 57 | Low | 44 Ų | 44 | 118.6 Ų | 118.6 | 31% | 0.308 | 60% | 0.595 | S | S | . | * | | | trans | -100.4 | 107.7 | -178.1 | -177.4 | 0 | 0 | 0 | 0 | 110.4 | N98 R103 | N98-S101 PolarHBondContact O-N 3.42Å; S101-R103 WeakPolarHBondContact CB-O 3.44Å; S101-R103 PolarHBondContact O-N 3.41Å; S101-R103 PolarHBondContact OG-N 2.91Å; S101-R103 PolarHBondContact OG-O 3.43Å |
| 102 | Q | 55 | Low | 57 | Low | 212 Ų | 212 | 112.1 Ų | 112.1 | 99% | 0.991 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -61.9 | -2.3 | 167.1 | -77.5 | -177.1 | -15.1 | 0 | 0 | 113.2 | | |
| 103 | R | 46.7 | Very low | 57 | Low | 207 Ų | 207 | 111.7 Ų | 111.7 | 78% | 0.781 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -107.5 | 134 | 169.2 | -89 | 179.4 | 168.5 | 169.2 | -3 | 110.6 | S101 V105 | S101-R103 WeakPolarHBondContact CB-O 3.44Å; S101-R103 PolarHBondContact O-N 3.41Å; S101-R103 PolarHBondContact OG-N 2.91Å; S101-R103 PolarHBondContact OG-O 3.43Å; R103-V105 HydrophobicContact CB-CG2 4.13Å; R103-V105 PolarHBondContact O-N 3.26Å |
| 104 | T | 50.3 | Low | 57 | Low | 126 Ų | 126 | 113 Ų | 113 | 77% | 0.773 | 57% | 0.569 | S | S | * | * | | | trans | -61.8 | 76.5 | 170.2 | -20.8 | 0 | 0 | 0 | 0 | 110.2 | F97 L106 | F97-T104 HydrophobicContact CE1-CG2 4.31Å; T104-L106 PolarHBondContact O-N 3.05Å |
| 105 | V | 54 | Low | 57 | Low | 93 Ų | 93 | 114.8 Ų | 114.8 | 56% | 0.564 | 58% | 0.575 | S | S | * | * | | | trans | -91.6 | 98.7 | 174 | -177.1 | 0 | 0 | 0 | 0 | 107.1 | R103 F107 | R103-V105 HydrophobicContact CB-CG2 4.13Å; R103-V105 PolarHBondContact O-N 3.26Å; V105-F107 PolarHBondContact O-N 3.13Å |
| 106 | L | 60 | Low | 57 | Low | 63 Ų | 63 | 113.2 Ų | 113.2 | 33% | 0.33 | 57% | 0.567 | S | S | . | * | | | trans | -52.4 | 122.5 | 162.2 | -92.6 | 140.7 | 0 | 0 | 0 | 109.1 | F96 T104 K111 L114 | F96-L106 HydrophobicContact CD1-CD2 4.49Å; F96-L106 HydrophobicContact CE1-CD2 3.21Å; F96-L106 HydrophobicContact CE1-CG 3.74Å; F96-L106 HydrophobicContact CE2-CD2 4.43Å; F96-L106 HydrophobicContact CZ-CD2 3.2Å; F96-L106 HydrophobicContact CZ-CG 4.23Å; T104-L106 PolarHBondContact O-N 3.05Å; L106-K111 HydrophobicContact CB-CD 4.39Å; L106-K111 HydrophobicContact CB-CG 3.87Å; L106-K111 HydrophobicContact CD2-CG 4.23Å; L106-L114 HydrophobicContact CD2-CD1 4Å |
| 107 | F | 60 | Low | 57 | Low | 116 Ų | 116 | 120.2 Ų | 120.2 | 51% | 0.509 | 59% | 0.591 | S | S | . | * | | | trans | -57 | 148.1 | 169.5 | -107.5 | -93.7 | 0 | 0 | 0 | 110 | V105 E109 S110 K111 | V105-F107 PolarHBondContact O-N 3.13Å; F107-E109 PolarHBondContact O-N 2.95Å; F107-S110 VanDerWaalsContact CB-OG 3.27Å; F107-S110 WeakPolarHBondContact CB-OG 3.17Å; F107-S110 WeakPolarHBondContact O-CB 3.33Å; F107-S110 PolarHBondContact O-N 3.38Å; F107-S110 VanDerWaalsContact O-N 3.12Å; F107-S110 PolarHBondContact O-OG 3.23Å; F107-K111 PolarHBondContact O-N 3.42Å; F107-K111 VanDerWaalsContact O-N 3.14Å |
| 108 | N | 65 | Low | 57.1 | Low | 130 Ų | 130 | 118 Ų | 118 | 70% | 0.695 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -60.9 | -35.6 | -179.2 | -75.5 | -22.8 | 0 | 0 | 0 | 112.3 | S110 K111 A112 | N108-S110 VanDerWaalsContact C-N 3.32Å; N108-S110 PolarHBondContact O-N 3.14Å; N108-K111 PolarHBondContact O-N 3.12Å; N108-A112 PolarHBondContact O-N 3.47Å; N108-A112 VanDerWaalsContact O-N 3.1Å |
| 109 | E | 59.7 | Low | 57.2 | Low | 156 Ų | 156 | 118.7 Ų | 118.7 | 73% | 0.729 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64.3 | -37.9 | 176.6 | -165.5 | 171.2 | -171.2 | 0 | 0 | 112.1 | F107 A112 A113 | F107-E109 PolarHBondContact O-N 2.95Å; E109-A112 PolarHBondContact O-N 3.37Å; E109-A113 PolarHBondContact O-N 3.27Å |
| 110 | S | 60.5 | Low | 56.9 | Low | 15 Ų | 15 | 112.2 Ų | 112.2 | 11% | 0.105 | 58% | 0.582 | C | S | . | * | H | α-helix | trans | -60.8 | -43.2 | 172.1 | -52.7 | 0 | 0 | 0 | 0 | 114.1 | F96 F107 N108 A112 A113 L114 | F96-S110 WeakPolarHBondContact CD2-OG 3.29Å; F96-S110 WeakPolarHBondContact CE2-OG 3.48Å; F96-S110 WeakPolarHBondContact CZ-OG 3Å; F107-S110 VanDerWaalsContact CB-OG 3.27Å; F107-S110 WeakPolarHBondContact CB-OG 3.17Å; F107-S110 WeakPolarHBondContact O-CB 3.33Å; F107-S110 PolarHBondContact O-N 3.38Å; F107-S110 VanDerWaalsContact O-N 3.12Å; F107-S110 PolarHBondContact O-OG 3.23Å; N108-S110 VanDerWaalsContact C-N 3.32Å; N108-S110 PolarHBondContact O-N 3.14Å; S110-A112 VanDerWaalsContact C-N 3.34Å; S110-A113 PolarHBondContact O-N 3.42Å; S110-L114 PolarHBondContact O-N 3.38Å |
| 111 | K | 63.4 | Low | 56.9 | Low | 99 Ų | 99 | 110.7 Ų | 110.7 | 43% | 0.43 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.5 | -41.5 | 178.9 | -68.5 | -177.1 | -179.9 | 176.8 | 0 | 110.4 | L106 F107 N108 L114 I115 | L106-K111 HydrophobicContact CB-CD 4.39Å; L106-K111 HydrophobicContact CB-CG 3.87Å; L106-K111 HydrophobicContact CD2-CG 4.23Å; F107-K111 PolarHBondContact O-N 3.42Å; F107-K111 VanDerWaalsContact O-N 3.14Å; N108-K111 PolarHBondContact O-N 3.12Å; K111-L114 PolarHBondContact O-N 2.87Å; K111-I115 WeakPolarHBondContact O-CB 3.44Å; K111-I115 WeakPolarHBondContact O-CD1 3.07Å; K111-I115 VanDerWaalsContact O-CG1 3.22Å; K111-I115 WeakPolarHBondContact O-CG1 3.27Å; K111-I115 PolarHBondContact O-N 3.02Å |
| 112 | A | 61.1 | Low | 57.2 | Low | 58 Ų | 58 | 115.2 Ų | 115.2 | 48% | 0.479 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -62.5 | -42 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | N108 E109 S110 I115 S116 | N108-A112 PolarHBondContact O-N 3.47Å; N108-A112 VanDerWaalsContact O-N 3.1Å; E109-A112 PolarHBondContact O-N 3.37Å; S110-A112 VanDerWaalsContact C-N 3.34Å; A112-I115 PolarHBondContact O-N 3Å; A112-S116 VanDerWaalsContact O-CB 3.29Å; A112-S116 WeakPolarHBondContact O-CB 3.45Å; A112-S116 PolarHBondContact O-N 2.98Å |
| 113 | A | 61.9 | Low | 56.8 | Low | 52 Ų | 52 | 108.2 Ų | 108.2 | 43% | 0.43 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.8 | -36.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | E109 S110 R117 | E109-A113 PolarHBondContact O-N 3.27Å; S110-A113 PolarHBondContact O-N 3.42Å; A113-R117 WeakPolarHBondContact O-CG 3.46Å; A113-R117 PolarHBondContact O-N 3.1Å |
| 114 | L | 62.3 | Low | 56.7 | Low | 92 Ų | 92 | 109.9 Ų | 109.9 | 48% | 0.482 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -69.2 | -42.5 | 174.5 | -103.2 | 154.8 | 0 | 0 | 0 | 112.3 | L106 S110 K111 R117 N118 | L106-L114 HydrophobicContact CD2-CD1 4Å; S110-L114 PolarHBondContact O-N 3.38Å; K111-L114 PolarHBondContact O-N 2.87Å; L114-R117 PolarHBondContact O-N 3.31Å; L114-N118 PolarHBondContact O-N 2.72Å |
| 115 | I | 60.1 | Low | 57.1 | Low | 110 Ų | 110 | 109.1 Ų | 109.1 | 56% | 0.564 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -67 | -47.1 | 178.6 | -68.4 | 165.4 | 0 | 0 | 0 | 110.2 | K111 A112 R117 N118 T119 | K111-I115 WeakPolarHBondContact O-CB 3.44Å; K111-I115 WeakPolarHBondContact O-CD1 3.07Å; K111-I115 VanDerWaalsContact O-CG1 3.22Å; K111-I115 WeakPolarHBondContact O-CG1 3.27Å; K111-I115 PolarHBondContact O-N 3.02Å; A112-I115 PolarHBondContact O-N 3Å; I115-R117 PolarHBondContact O-N 2.75Å; I115-N118 PolarHBondContact O-N 3.3Å; I115-N118 VanDerWaalsContact O-N 3.1Å; I115-T119 PolarHBondContact O-N 3.11Å; I115-T119 PolarHBondContact O-OG1 2.96Å |
| 116 | S | 56.6 | Low | 57.2 | Low | 83 Ų | 83 | 109.9 Ų | 109.9 | 58% | 0.58 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -57.5 | -34 | 178.9 | 169.2 | 0 | 0 | 0 | 0 | 113.2 | A112 | A112-S116 VanDerWaalsContact O-CB 3.29Å; A112-S116 WeakPolarHBondContact O-CB 3.45Å; A112-S116 PolarHBondContact O-N 2.98Å |
| 117 | R | 57.4 | Low | 57.1 | Low | 201 Ų | 201 | 112.6 Ų | 112.6 | 76% | 0.758 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -79.2 | -26.5 | 178.9 | -74.4 | -179.1 | 176.1 | 169 | 0.5 | 113.9 | A113 L114 I115 | A113-R117 WeakPolarHBondContact O-CG 3.46Å; A113-R117 PolarHBondContact O-N 3.1Å; L114-R117 PolarHBondContact O-N 3.31Å; I115-R117 PolarHBondContact O-N 2.75Å |
| 118 | N | 56.6 | Low | 56.9 | Low | 109 Ų | 109 | 112.4 Ų | 112.4 | 58% | 0.583 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -86.3 | -22.1 | -179.9 | -78.9 | -23.5 | 0 | 0 | 0 | 113.8 | L114 I115 T120 | L114-N118 PolarHBondContact O-N 2.72Å; I115-N118 PolarHBondContact O-N 3.3Å; I115-N118 VanDerWaalsContact O-N 3.1Å; N118-T120 PolarHBondContact O-N 3.34Å |
| 119 | T | 52.4 | Low | 56.4 | Low | 102 Ų | 102 | 111.3 Ų | 111.3 | 63% | 0.626 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -4.5 | -179.6 | -30.9 | 0 | 0 | 0 | 0 | 114.2 | I115 | I115-T119 PolarHBondContact O-N 3.11Å; I115-T119 PolarHBondContact O-OG1 2.96Å |
| 120 | T | 50.8 | Low | 56.2 | Low | 110 Ų | 110 | 108.3 Ų | 108.3 | 68% | 0.675 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -8.6 | -178.4 | -50.2 | 0 | 0 | 0 | 0 | 113.2 | N118 | N118-T120 PolarHBondContact O-N 3.34Š|
| 121 | I | 52.9 | Low | 55.9 | Low | 146 Ų | 146 | 114.9 Ų | 114.9 | 75% | 0.749 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -99.9 | -4.7 | -173.4 | -61 | 177.4 | 0 | 0 | 0 | 113.3 | | |
| 122 | V | 53.8 | Low | 55.3 | Low | 139 Ų | 139 | 116.2 Ų | 116.2 | 84% | 0.842 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -118 | 19.2 | -177.7 | -165.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 123 | G | 48.1 | Very low | 54.8 | Low | 65 Ų | 65 | 121 Ų | 121 | 67% | 0.67 | 69% | 0.686 | S | S | * | * | | | trans | -129.8 | 20.8 | -169.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 124 | L | 44.7 | Very low | 54.2 | Low | 243 Ų | 243 | 127.3 Ų | 127.3 | 100% | 1.272 | 71% | 0.709 | S | S | * | * | | | trans | -134.8 | 0 | 172.3 | -90.2 | 163.9 | 0 | 0 | 0 | 110.4 | | |