| 1 | M | 35.7 | Very low | 41.7 | Very low | 234 Ų | 234 | 158.6 Ų | 158.6 | 100% | 1.153 | 83% | 0.826 | S | S | * | * | | | | 0 | 107.6 | 0 | -73.7 | -166.1 | 173.9 | 0 | 0 | 108.1 | T3 | M1-T3 PolarHBondContact O-N 3.1Š|
| 2 | N | 39.4 | Very low | 41.7 | Very low | 162 Ų | 162 | 161.5 Ų | 161.5 | 87% | 0.866 | 83% | 0.828 | S | S | * | * | | | trans | -94.7 | 90.3 | -176.9 | -80.3 | -9.4 | 0 | 0 | 0 | 109.8 | N4 | N2-N4 PolarHBondContact O-N 2.92Å; N2-N4 VanDerWaalsContact O-N 3.16Å |
| 3 | T | 47.2 | Very low | 41.1 | Very low | 119 Ų | 119 | 155.5 Ų | 155.5 | 73% | 0.73 | 83% | 0.83 | S | S | * | * | | | trans | -82 | 92.2 | 170.6 | 44.1 | 0 | 0 | 0 | 0 | 108.7 | M1 T5 | M1-T3 PolarHBondContact O-N 3.1Å; T3-T5 PolarHBondContact O-N 2.79Å |
| 4 | N | 42.5 | Very low | 41 | Very low | 148 Ų | 148 | 156.3 Ų | 156.3 | 79% | 0.791 | 83% | 0.827 | S | S | * | * | | | trans | -49.8 | 91.9 | 159.4 | -81.5 | -37.3 | 0 | 0 | 0 | 108.6 | N2 I6 | N2-N4 PolarHBondContact O-N 2.92Å; N2-N4 VanDerWaalsContact O-N 3.16Å; N4-I6 VanDerWaalsContact C-N 3.26Å; N4-I6 PolarHBondContact O-N 2.72Å |
| 5 | T | 42.7 | Very low | 41.1 | Very low | 127 Ų | 127 | 157.3 Ų | 157.3 | 78% | 0.779 | 83% | 0.825 | S | S | * | * | | | trans | -72.2 | 94.2 | 170.2 | 32.7 | 0 | 0 | 0 | 0 | 106.5 | T3 K7 | T3-T5 PolarHBondContact O-N 2.79Å; T5-K7 PolarHBondContact O-N 2.96Å |
| 6 | I | 41.4 | Very low | 41.5 | Very low | 145 Ų | 145 | 156.6 Ų | 156.6 | 74% | 0.744 | 82% | 0.822 | S | S | * | * | | | trans | -40.8 | 110.6 | 170 | -69.2 | 158.1 | 0 | 0 | 0 | 108.1 | N4 K8 | N4-I6 VanDerWaalsContact C-N 3.26Å; N4-I6 PolarHBondContact O-N 2.72Å; I6-K8 VanDerWaalsContact C-N 3.26Å; I6-K8 PolarHBondContact O-N 3.33Å |
| 7 | K | 42.3 | Very low | 42 | Very low | 198 Ų | 198 | 155.6 Ų | 155.6 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | | | trans | -55.9 | 89.1 | 171 | -65 | 177.9 | 178.4 | 179.4 | 0 | 108.2 | T5 K9 | T5-K7 PolarHBondContact O-N 2.96Å; K7-K9 VanDerWaalsContact C-N 3.26Å; K7-K9 PolarHBondContact O-N 3.03Å |
| 8 | K | 42.3 | Very low | 42.3 | Very low | 180 Ų | 180 | 155.8 Ų | 155.8 | 78% | 0.783 | 82% | 0.819 | S | S | * | * | | | trans | -68 | 93.5 | 165.8 | -78.9 | -174.1 | 177.4 | 179.2 | 0 | 107 | I6 N10 | I6-K8 VanDerWaalsContact C-N 3.26Å; I6-K8 PolarHBondContact O-N 3.33Å; K8-N10 PolarHBondContact O-N 2.8Å |
| 9 | K | 39.4 | Very low | 42.9 | Very low | 200 Ų | 200 | 154.7 Ų | 154.7 | 87% | 0.87 | 81% | 0.812 | S | S | * | * | | | trans | -58.9 | 85.2 | 163 | -73.2 | 176.7 | 173.7 | 178.9 | 0 | 107.6 | K7 A11 | K7-K9 VanDerWaalsContact C-N 3.26Å; K7-K9 PolarHBondContact O-N 3.03Å; K9-A11 PolarHBondContact O-N 2.94Å |
| 10 | N | 43.3 | Very low | 43.4 | Very low | 138 Ų | 138 | 152.3 Ų | 152.3 | 74% | 0.738 | 80% | 0.8 | S | S | * | * | | | trans | -71.7 | 112.6 | 166.4 | -79.7 | -7.4 | 0 | 0 | 0 | 107.2 | K8 F12 | K8-N10 PolarHBondContact O-N 2.8Å; N10-F12 PolarHBondContact O-N 3.3Å |
| 11 | A | 42.6 | Very low | 44 | Very low | 94 Ų | 94 | 151.9 Ų | 151.9 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | | | trans | -73.6 | 34.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114 | K9 | K9-A11 PolarHBondContact O-N 2.94Š|
| 12 | F | 41.1 | Very low | 44.9 | Very low | 193 Ų | 193 | 145.9 Ų | 145.9 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | | | trans | -114 | 82.6 | 173.2 | -75.9 | -79.5 | 0 | 0 | 0 | 108.7 | N10 Q14 | N10-F12 PolarHBondContact O-N 3.3Å; F12-Q14 PolarHBondContact O-N 2.86Å |
| 13 | G | 34.3 | Very low | 45.4 | Very low | 83 Ų | 83 | 144.3 Ų | 144.3 | 86% | 0.856 | 77% | 0.766 | S | S | * | * | | | trans | -72.2 | 57.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 14 | Q | 40 | Very low | 45.2 | Very low | 167 Ų | 167 | 142.9 Ų | 142.9 | 78% | 0.78 | 76% | 0.761 | S | S | * | * | | | trans | -114.1 | 88.8 | 155.5 | -83 | -172.2 | -15.4 | 0 | 0 | 106 | F12 D16 | F12-Q14 PolarHBondContact O-N 2.86Å; Q14-D16 PolarHBondContact O-N 2.99Å; Q14-D16 VanDerWaalsContact O-N 3.13Å |
| 15 | Q | 42.5 | Very low | 45.3 | Very low | 172 Ų | 172 | 141.7 Ų | 141.7 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | | | trans | -63.3 | 109.8 | 157.9 | -70.3 | -167.6 | -29.4 | 0 | 0 | 105 | D17 | Q15-D17 PolarHBondContact O-N 3.06Š|
| 16 | D | 47.6 | Very low | 45.5 | Very low | 146 Ų | 146 | 139 Ų | 139 | 78% | 0.781 | 75% | 0.752 | S | S | * | * | | | trans | -58.4 | 97.7 | 160.5 | -71 | -46.4 | 0 | 0 | 0 | 105.3 | Q14 L18 | Q14-D16 PolarHBondContact O-N 2.99Å; Q14-D16 VanDerWaalsContact O-N 3.13Å; D16-L18 PolarHBondContact O-N 3.33Å |
| 17 | D | 49 | Very low | 45.4 | Very low | 139 Ų | 139 | 137.8 Ų | 137.8 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | | | trans | -60.8 | 76.8 | 165.5 | -75.3 | -27.6 | 0 | 0 | 0 | 106.6 | Q15 I19 | Q15-D17 PolarHBondContact O-N 3.06Å; D17-I19 PolarHBondContact O-N 2.81Å |
| 18 | L | 47.3 | Very low | 45.6 | Very low | 159 Ų | 159 | 135.6 Ų | 135.6 | 83% | 0.832 | 75% | 0.752 | S | S | * | * | | | trans | -66 | 93.6 | 169 | -164.3 | 78.8 | 0 | 0 | 0 | 104.4 | D16 D20 | D16-L18 PolarHBondContact O-N 3.33Å; L18-D20 PolarHBondContact O-N 2.92Å |
| 19 | I | 53.5 | Low | 45.7 | Very low | 136 Ų | 136 | 132.3 Ų | 132.3 | 70% | 0.697 | 75% | 0.749 | S | S | * | * | | | trans | -54 | 108.9 | 178.1 | -60 | 172.2 | 0 | 0 | 0 | 106.6 | D17 L21 | D17-I19 PolarHBondContact O-N 2.81Å; I19-L21 VanDerWaalsContact C-N 3.28Å; I19-L21 HydrophobicContact CG2-CD2 3.86Å; I19-L21 HydrophobicContact CG2-CG 4.29Å; I19-L21 PolarHBondContact O-N 3.08Å |
| 20 | D | 54.8 | Low | 45.8 | Very low | 105 Ų | 105 | 128.7 Ų | 128.7 | 56% | 0.561 | 75% | 0.747 | S | S | * | * | | | trans | -72.2 | 87.9 | 179.9 | -157.5 | -7.6 | 0 | 0 | 0 | 108 | L18 T22 | L18-D20 PolarHBondContact O-N 2.92Å; D20-T22 PolarHBondContact O-N 2.9Å; D20-T22 PolarHBondContact OD1-OG1 2.91Å |
| 21 | L | 54.6 | Low | 45.8 | Very low | 145 Ų | 145 | 129.9 Ų | 129.9 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -69.3 | 0.6 | -176.3 | -69.8 | 173.5 | 0 | 0 | 0 | 113 | I19 N23 | I19-L21 VanDerWaalsContact C-N 3.28Å; I19-L21 HydrophobicContact CG2-CD2 3.86Å; I19-L21 HydrophobicContact CG2-CG 4.29Å; I19-L21 PolarHBondContact O-N 3.08Å; L21-N23 VanDerWaalsContact C-N 3.33Å |
| 22 | T | 55.3 | Low | 45.7 | Very low | 108 Ų | 108 | 129 Ų | 129 | 66% | 0.663 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -76.7 | -20.6 | -179.7 | 59.9 | 0 | 0 | 0 | 0 | 112.9 | D20 | D20-T22 PolarHBondContact O-N 2.9Å; D20-T22 PolarHBondContact OD1-OG1 2.91Å |
| 23 | N | 49.2 | Very low | 45.8 | Very low | 129 Ų | 129 | 125.4 Ų | 125.4 | 69% | 0.69 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -108.7 | 25.9 | -173.3 | -66.7 | -37.9 | 0 | 0 | 0 | 114.6 | L21 P25 | L21-N23 VanDerWaalsContact C-N 3.33Å; N23-P25 WeakPolarHBondContact O-CD 3.13Å |
| 24 | S | 43 | Very low | 46 | Very low | 88 Ų | 88 | 126.4 Ų | 126.4 | 62% | 0.615 | 74% | 0.738 | S | S | * | * | | | trans | -94.4 | 103 | 173.9 | -171.4 | 0 | 0 | 0 | 0 | 111.2 | A26 | S24-A26 PolarHBondContact O-N 2.73Š|
| 25 | P | 44.9 | Very low | 46 | Very low | 123 Ų | 123 | 124.6 Ų | 124.6 | 80% | 0.799 | 74% | 0.738 | S | S | * | * | | | trans | -80.7 | 57.6 | 172.6 | 37.1 | -36 | 0 | 0 | 0 | 109.2 | N23 C27 | N23-P25 WeakPolarHBondContact O-CD 3.13Å; P25-C27 VanDerWaalsContact C-N 3.3Å; P25-C27 PolarHBondContact O-N 2.67Å |
| 26 | A | 46.3 | Very low | 46 | Very low | 71 Ų | 71 | 122.3 Ų | 122.3 | 59% | 0.587 | 74% | 0.739 | S | S | * | * | | | trans | -91.3 | 79.3 | 163.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | S24 L28 | S24-A26 PolarHBondContact O-N 2.73Å; A26-L28 VanDerWaalsContact C-N 3.31Å; A26-L28 PolarHBondContact O-N 2.96Å |
| 27 | C | 39.7 | Very low | 45.7 | Very low | 120 Ų | 120 | 119.6 Ų | 119.6 | 81% | 0.811 | 74% | 0.737 | S | S | * | * | | | trans | -50 | 101.3 | 165.8 | -71.6 | 0 | 0 | 0 | 0 | 107.7 | P25 | P25-C27 VanDerWaalsContact C-N 3.3Å; P25-C27 PolarHBondContact O-N 2.67Å |
| 28 | L | 47.9 | Very low | 45.4 | Very low | 152 Ų | 152 | 118.4 Ų | 118.4 | 80% | 0.796 | 74% | 0.739 | S | S | * | * | | | trans | -57.8 | 127.7 | 165.6 | -68.2 | 174.4 | 0 | 0 | 0 | 105.6 | A26 C30 | A26-L28 VanDerWaalsContact C-N 3.31Å; A26-L28 PolarHBondContact O-N 2.96Å; L28-C30 PolarHBondContact O-N 2.74Å |
| 29 | P | 44.2 | Very low | 45.3 | Very low | 110 Ų | 110 | 118.1 Ų | 118.1 | 71% | 0.714 | 74% | 0.738 | S | S | * | * | | | trans | -54.5 | 118.1 | 176.9 | 20 | -29.5 | 0 | 0 | 0 | 107.1 | L31 | P29-L31 VanDerWaalsContact C-N 3.28Å; P29-L31 PolarHBondContact O-N 2.96Å |
| 30 | C | 41.3 | Very low | 44.9 | Very low | 124 Ų | 124 | 117.1 Ų | 117.1 | 84% | 0.838 | 74% | 0.74 | S | S | * | * | | | trans | -51.7 | 103.6 | 165.7 | -84.6 | 0 | 0 | 0 | 0 | 105.6 | L28 A32 | L28-C30 PolarHBondContact O-N 2.74Å; C30-A32 PolarHBondContact O-N 2.75Å |
| 31 | L | 43.7 | Very low | 44.5 | Very low | 164 Ų | 164 | 121.8 Ų | 121.8 | 86% | 0.859 | 76% | 0.755 | S | S | * | * | | | trans | -67.4 | 78.2 | 165.1 | -75.4 | 166.2 | 0 | 0 | 0 | 105.1 | P29 S33 | P29-L31 VanDerWaalsContact C-N 3.28Å; P29-L31 PolarHBondContact O-N 2.96Å; L31-S33 PolarHBondContact O-N 3.47Å |
| 32 | A | 40.7 | Very low | 44 | Very low | 75 Ų | 75 | 125.4 Ų | 125.4 | 62% | 0.62 | 76% | 0.759 | S | S | * | * | | | trans | -54.9 | 107.4 | 166 | 0 | 0 | 0 | 0 | 0 | 105.6 | C30 S34 | C30-A32 PolarHBondContact O-N 2.75Å; A32-S34 VanDerWaalsContact C-N 3.3Å; A32-S34 PolarHBondContact O-N 3.13Å |
| 33 | S | 42.3 | Very low | 43.6 | Very low | 117 Ų | 117 | 125.3 Ų | 125.3 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | | | trans | 16.2 | 69.8 | 147 | 58.9 | 0 | 0 | 0 | 0 | 114.4 | L31 | L31-S33 PolarHBondContact O-N 3.47Š|
| 34 | S | 38.5 | Very low | 43.3 | Very low | 104 Ų | 104 | 125.9 Ų | 125.9 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | | | trans | -89.6 | 122.2 | 162.3 | 46.3 | 0 | 0 | 0 | 0 | 106.4 | A32 | A32-S34 VanDerWaalsContact C-N 3.3Å; A32-S34 PolarHBondContact O-N 3.13Å |
| 35 | T | 40.4 | Very low | 43.5 | Very low | 129 Ų | 129 | 128.3 Ų | 128.3 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | | | trans | -36.5 | 135 | -177.2 | -22.2 | 0 | 0 | 0 | 0 | 111.7 | A37 | T35-A37 PolarHBondContact O-N 3.47Š|
| 36 | P | 42.8 | Very low | 43.5 | Very low | 125 Ų | 125 | 127.3 Ų | 127.3 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | | | trans | -54.5 | 111 | -176.3 | 21 | -32.8 | 0 | 0 | 0 | 110.2 | S38 | P36-S38 PolarHBondContact O-N 2.7Å; P36-S38 VanDerWaalsContact O-N 3.1Å |
| 37 | A | 41.3 | Very low | 43.5 | Very low | 89 Ų | 89 | 130.4 Ų | 130.4 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 119.6 | 171 | 0 | 0 | 0 | 0 | 0 | 107.6 | T35 L39 | T35-A37 PolarHBondContact O-N 3.47Å; A37-L39 PolarHBondContact O-N 3.11Å |
| 38 | S | 41.7 | Very low | 43.6 | Very low | 113 Ų | 113 | 130 Ų | 130 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 116.9 | -179.6 | 64.4 | 0 | 0 | 0 | 0 | 108.9 | P36 | P36-S38 PolarHBondContact O-N 2.7Å; P36-S38 VanDerWaalsContact O-N 3.1Å |
| 39 | L | 45.3 | Very low | 43.7 | Very low | 154 Ų | 154 | 129 Ų | 129 | 81% | 0.806 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 129.6 | -179.6 | -71.6 | 165.6 | 0 | 0 | 0 | 109 | A37 K41 | A37-L39 PolarHBondContact O-N 3.11Å; L39-K41 PolarHBondContact O-N 3.14Å |
| 40 | P | 45 | Very low | 43.7 | Very low | 115 Ų | 115 | 132.7 Ų | 132.7 | 75% | 0.747 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 133.3 | 176.5 | 23.4 | -31 | 0 | 0 | 0 | 108.9 | R42 | P40-R42 PolarHBondContact O-N 3.47Š|
| 41 | K | 46.5 | Very low | 43.9 | Very low | 203 Ų | 203 | 134.8 Ų | 134.8 | 88% | 0.883 | 75% | 0.747 | S | S | * | * | | | trans | -38.6 | 115.9 | 176.9 | -78.4 | 172.3 | 175.6 | 174.3 | 0 | 109.6 | L39 T43 | L39-K41 PolarHBondContact O-N 3.14Å; K41-T43 PolarHBondContact O-N 2.78Å |
| 42 | R | 44.8 | Very low | 43.7 | Very low | 221 Ų | 221 | 130.7 Ų | 130.7 | 83% | 0.834 | 73% | 0.732 | S | S | * | * | | | trans | -46.4 | 111 | 178.7 | -71.8 | 176.5 | 166.9 | 148 | -3.3 | 109.2 | P40 | P40-R42 PolarHBondContact O-N 3.47Š|
| 43 | T | 45.3 | Very low | 43.8 | Very low | 105 Ų | 105 | 132.9 Ų | 132.9 | 64% | 0.644 | 74% | 0.739 | S | S | * | * | | | trans | -63.1 | 139.3 | 168.9 | 46 | 0 | 0 | 0 | 0 | 108.4 | K41 L45 D46 | K41-T43 PolarHBondContact O-N 2.78Å; T43-L45 PolarHBondContact O-N 3.22Å; T43-D46 PolarHBondContact O-N 3.32Å |
| 44 | L | 44.3 | Very low | 43.9 | Very low | 142 Ų | 142 | 135.3 Ų | 135.3 | 74% | 0.743 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -42.2 | -8.8 | -177.7 | -93.6 | 154.4 | 0 | 0 | 0 | 118 | D46 | L44-D46 VanDerWaalsContact C-N 3.34Å; L44-D46 PolarHBondContact O-N 3.43Å |
| 45 | L | 47.6 | Very low | 44.1 | Very low | 138 Ų | 138 | 137.7 Ų | 137.7 | 72% | 0.723 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -76.2 | -15.3 | -177.6 | -70.9 | 171.6 | 0 | 0 | 0 | 114.5 | T43 | T43-L45 PolarHBondContact O-N 3.22Š|
| 46 | D | 44.8 | Very low | 44.3 | Very low | 103 Ų | 103 | 138 Ų | 138 | 55% | 0.551 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -87.1 | -11.8 | -179.9 | -80.1 | -11.4 | 0 | 0 | 0 | 114.2 | T43 L44 | T43-D46 PolarHBondContact O-N 3.32Å; L44-D46 VanDerWaalsContact C-N 3.34Å; L44-D46 PolarHBondContact O-N 3.43Å |
| 47 | Q | 45.4 | Very low | 44.2 | Very low | 135 Ų | 135 | 138.4 Ų | 138.4 | 63% | 0.631 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -20.9 | -177.6 | -77.5 | -178.2 | -20.2 | 0 | 0 | 113.7 | I49 | Q47-I49 PolarHBondContact O-N 3.31Š|
| 48 | T | 41.9 | Very low | 44.1 | Very low | 112 Ų | 112 | 140.8 Ų | 140.8 | 69% | 0.687 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -10.5 | -174.9 | 57 | 0 | 0 | 0 | 0 | 114.5 | | |
| 49 | I | 49 | Very low | 44 | Very low | 130 Ų | 130 | 139.2 Ų | 139.2 | 67% | 0.667 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -21.2 | -176.9 | -56.5 | 179 | 0 | 0 | 0 | 112 | Q47 | Q47-I49 PolarHBondContact O-N 3.31Š|
| 50 | F | 45 | Very low | 44 | Very low | 189 Ų | 189 | 143.5 Ų | 143.5 | 83% | 0.829 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | -11.8 | -173 | -97.4 | -82.6 | 0 | 0 | 0 | 116.1 | | |
| 51 | E | 46 | Very low | 44 | Very low | 168 Ų | 168 | 146.7 Ų | 146.7 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -102.7 | 11 | -173.5 | -72.5 | -170.2 | 173.3 | 0 | 0 | 115.8 | P53 | E51-P53 VanDerWaalsContact C-CD 3.47Å; E51-P53 WeakPolarHBondContact O-CD 2.96Å |
| 52 | S | 39.4 | Very low | 43.9 | Very low | 77 Ų | 77 | 146.2 Ų | 146.2 | 54% | 0.538 | 72% | 0.724 | S | S | . | * | | | trans | -99.3 | 91.8 | 167.7 | 68.5 | 0 | 0 | 0 | 0 | 110.8 | Q54 | S52-Q54 PolarHBondContact O-N 3.45Š|
| 53 | P | 43.6 | Very low | 44 | Very low | 121 Ų | 121 | 141.5 Ų | 141.5 | 79% | 0.786 | 72% | 0.719 | S | S | * | * | | | trans | -69.7 | 10.6 | 168.6 | 30.5 | -34.5 | 0 | 0 | 0 | 112.6 | E51 L55 | E51-P53 VanDerWaalsContact C-CD 3.47Å; E51-P53 WeakPolarHBondContact O-CD 2.96Å; P53-L55 PolarHBondContact O-N 3.27Å |
| 54 | Q | 43.9 | Very low | 43.9 | Very low | 168 Ų | 168 | 142.2 Ų | 142.2 | 79% | 0.785 | 72% | 0.719 | S | S | * | * | | | trans | -71.9 | 54.2 | 158.9 | -61.8 | -177.3 | 3 | 0 | 0 | 109.8 | S52 I56 | S52-Q54 PolarHBondContact O-N 3.45Å; Q54-I56 PolarHBondContact O-N 3.06Å |
| 55 | L | 43 | Very low | 44 | Very low | 154 Ų | 154 | 142.4 Ų | 142.4 | 81% | 0.806 | 72% | 0.718 | S | S | * | * | | | trans | -60 | 96.9 | 151.5 | -79.6 | 168.7 | 0 | 0 | 0 | 104.7 | P53 T57 | P53-L55 PolarHBondContact O-N 3.27Å; L55-T57 PolarHBondContact O-N 2.9Å |
| 56 | I | 43.4 | Very low | 44.3 | Very low | 136 Ų | 136 | 139.8 Ų | 139.8 | 70% | 0.697 | 71% | 0.711 | S | S | * | * | | | trans | -43.6 | 104.4 | 172.8 | -63.7 | 164.5 | 0 | 0 | 0 | 106 | Q54 M58 | Q54-I56 PolarHBondContact O-N 3.06Å; I56-M58 HydrophobicContact CG2-SD 4.2Å; I56-M58 PolarHBondContact O-N 2.87Å |
| 57 | T | 41.5 | Very low | 44.4 | Very low | 133 Ų | 133 | 140.2 Ų | 140.2 | 82% | 0.816 | 71% | 0.714 | S | S | * | * | | | trans | -58.7 | 96.5 | 169.8 | -58.5 | 0 | 0 | 0 | 0 | 105.5 | L55 P59 | L55-T57 PolarHBondContact O-N 2.9Å; T57-P59 WeakPolarHBondContact O-CD 3.42Å; T57-P59 VanDerWaalsContact O-N 3.12Å |
| 58 | M | 38.2 | Very low | 44.6 | Very low | 140 Ų | 140 | 139 Ų | 139 | 69% | 0.69 | 71% | 0.711 | S | S | * | * | | | trans | -58.2 | 119.1 | -179 | -67.5 | -66.9 | -72.2 | 0 | 0 | 107 | I56 R60 | I56-M58 HydrophobicContact CG2-SD 4.2Å; I56-M58 PolarHBondContact O-N 2.87Å; M58-R60 PolarHBondContact O-N 2.77Å; M58-R60 VanDerWaalsContact O-N 3.12Å |
| 59 | P | 40.8 | Very low | 45 | Very low | 80 Ų | 80 | 140.8 Ų | 140.8 | 52% | 0.519 | 72% | 0.717 | S | S | . | * | | | trans | -59.4 | 123.7 | 178.9 | 21 | -29.3 | 0 | 0 | 0 | 108.5 | T57 K61 | T57-P59 WeakPolarHBondContact O-CD 3.42Å; T57-P59 VanDerWaalsContact O-N 3.12Å; P59-K61 PolarHBondContact O-N 3.43Å |
| 60 | R | 44.5 | Very low | 44.8 | Very low | 243 Ų | 243 | 142 Ų | 142 | 92% | 0.917 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -63.3 | 34.4 | 178.5 | -82.3 | -179.3 | 168.5 | 168.7 | -3 | 114.1 | M58 | M58-R60 PolarHBondContact O-N 2.77Å; M58-R60 VanDerWaalsContact O-N 3.12Å |
| 61 | K | 46 | Very low | 45.1 | Very low | 183 Ų | 183 | 135.9 Ų | 135.9 | 80% | 0.796 | 70% | 0.697 | S | S | * | * | | | trans | -101.5 | 8.2 | -174.1 | -69.9 | -159.8 | 174.8 | -170.9 | 0 | 115.1 | P59 | P59-K61 PolarHBondContact O-N 3.43Š|
| 62 | Y | 44.5 | Very low | 45.2 | Very low | 193 Ų | 193 | 135.2 Ų | 135.2 | 76% | 0.757 | 70% | 0.699 | S | S | * | * | | | trans | -108.3 | 33.1 | 179.3 | -58.8 | -70.4 | 0 | 0 | 0 | 113.8 | D64 | Y62-D64 VanDerWaalsContact C-N 3.33Š|
| 63 | T | 46 | Very low | 45.6 | Very low | 121 Ų | 121 | 139.7 Ų | 139.7 | 74% | 0.742 | 71% | 0.712 | S | S | * | * | | | trans | -82.3 | -12.3 | 173.5 | -42.9 | 0 | 0 | 0 | 0 | 112.5 | M65 | T63-M65 PolarHBondContact O-N 3.5Š|
| 64 | D | 42.9 | Very low | 46.1 | Very low | 120 Ų | 120 | 141.8 Ų | 141.8 | 64% | 0.642 | 71% | 0.711 | S | S | * | * | | | trans | -90.1 | 91.2 | 175.4 | -76.8 | -26.9 | 0 | 0 | 0 | 111 | Y62 S66 | Y62-D64 VanDerWaalsContact C-N 3.33Å; D64-S66 PolarHBondContact O-N 3.31Å; D64-S66 VanDerWaalsContact O-N 3.14Å |
| 65 | M | 47.3 | Very low | 46.6 | Very low | 146 Ų | 146 | 137.1 Ų | 137.1 | 72% | 0.719 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -67.2 | -0.6 | 170.9 | -67 | -77.1 | -82.5 | 0 | 0 | 112.8 | T63 D67 L68 | T63-M65 PolarHBondContact O-N 3.5Å; M65-D67 VanDerWaalsContact C-N 3.32Å; M65-L68 HydrophobicContact CE-CD1 4.04Å; M65-L68 HydrophobicContact SD-CD1 3.77Å |
| 66 | S | 54.1 | Low | 47.3 | Very low | 83 Ų | 83 | 136.8 Ų | 136.8 | 58% | 0.58 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -74 | -18.2 | 178 | 46.9 | 0 | 0 | 0 | 0 | 114 | D64 | D64-S66 PolarHBondContact O-N 3.31Å; D64-S66 VanDerWaalsContact O-N 3.14Å |
| 67 | D | 47.1 | Very low | 48 | Very low | 112 Ų | 112 | 136.1 Ų | 136.1 | 60% | 0.599 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -86.3 | -7.3 | -179.3 | -70.6 | -23.5 | 0 | 0 | 0 | 113.9 | M65 D69 K70 | M65-D67 VanDerWaalsContact C-N 3.32Å; D67-D69 PolarHBondContact O-N 3.15Å; D67-K70 PolarHBondContact O-N 3.47Å |
| 68 | L | 49.5 | Very low | 48.9 | Very low | 109 Ų | 109 | 132.2 Ų | 132.2 | 57% | 0.571 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -66.4 | -23.4 | 178.6 | -89.9 | 155.6 | 0 | 0 | 0 | 113.3 | M65 K70 S71 | M65-L68 HydrophobicContact CE-CD1 4.04Å; M65-L68 HydrophobicContact SD-CD1 3.77Å; L68-K70 PolarHBondContact O-N 2.94Å; L68-S71 PolarHBondContact O-N 3.46Å; L68-S71 PolarHBondContact O-OG 3.36Å |
| 69 | D | 50.1 | Low | 50 | Low | 151 Ų | 151 | 131.7 Ų | 131.7 | 81% | 0.807 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -79.5 | -2.8 | -177.3 | -148.8 | 25.5 | 0 | 0 | 0 | 113.7 | D67 | D67-D69 PolarHBondContact O-N 3.15Š|
| 70 | K | 45.3 | Very low | 51 | Low | 156 Ų | 156 | 130.8 Ų | 130.8 | 68% | 0.678 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -100.4 | -5.9 | 173.9 | -66.4 | -172.6 | -178.1 | 175.2 | 0 | 114.2 | D67 L68 D72 Q73 | D67-K70 PolarHBondContact O-N 3.47Å; L68-K70 PolarHBondContact O-N 2.94Å; K70-D72 VanDerWaalsContact C-N 3.25Å; K70-D72 PolarHBondContact O-N 2.84Å; K70-Q73 PolarHBondContact O-N 3.37Å |
| 71 | S | 49.5 | Very low | 51.8 | Low | 59 Ų | 59 | 122.1 Ų | 122.1 | 41% | 0.413 | 65% | 0.654 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.6 | -16.3 | -173.7 | 61.9 | 0 | 0 | 0 | 0 | 114.7 | L68 Q73 E74 | L68-S71 PolarHBondContact O-N 3.46Å; L68-S71 PolarHBondContact O-OG 3.36Å; S71-Q73 PolarHBondContact O-N 2.84Å; S71-E74 PolarHBondContact O-N 3.01Å |
| 72 | D | 49.3 | Very low | 52.2 | Low | 154 Ų | 154 | 120.7 Ų | 120.7 | 82% | 0.824 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -14.2 | 178.4 | -82.1 | -5.6 | 0 | 0 | 0 | 113.7 | K70 | K70-D72 VanDerWaalsContact C-N 3.25Å; K70-D72 PolarHBondContact O-N 2.84Å |
| 73 | Q | 48.3 | Very low | 52.9 | Low | 172 Ų | 172 | 118 Ų | 118 | 80% | 0.804 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | -16.3 | 172.8 | -75.8 | -158.8 | -7.6 | 0 | 0 | 114.8 | K70 S71 G75 | K70-Q73 PolarHBondContact O-N 3.37Å; S71-Q73 PolarHBondContact O-N 2.84Å; Q73-G75 VanDerWaalsContact C-N 3.31Å; Q73-G75 PolarHBondContact O-N 2.97Å |
| 74 | E | 53.6 | Low | 53.6 | Low | 164 Ų | 164 | 121.2 Ų | 121.2 | 77% | 0.766 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -6.5 | -178.7 | -64 | -171.1 | 174.2 | 0 | 0 | 113.4 | S71 L76 | S71-E74 PolarHBondContact O-N 3.01Å; E74-L76 PolarHBondContact O-N 2.84Å |
| 75 | G | 54.2 | Low | 54.2 | Low | 71 Ų | 71 | 120.1 Ų | 120.1 | 73% | 0.732 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -5.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115 | Q73 | Q73-G75 VanDerWaalsContact C-N 3.31Å; Q73-G75 PolarHBondContact O-N 2.97Å |
| 76 | L | 58.1 | Low | 54.7 | Low | 146 Ų | 146 | 116.2 Ų | 116.2 | 76% | 0.764 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -91.9 | 115 | 174.2 | -62.6 | 177.3 | 0 | 0 | 0 | 108.7 | E74 S78 | E74-L76 PolarHBondContact O-N 2.84Å; L76-S78 PolarHBondContact O-N 3.36Å; L76-S78 VanDerWaalsContact O-N 3.15Å |
| 77 | L | 57.5 | Low | 54.7 | Low | 123 Ų | 123 | 118.8 Ų | 118.8 | 64% | 0.644 | 63% | 0.629 | S | S | * | * | | | trans | -45.1 | 123.2 | 169 | -78.4 | 161.8 | 0 | 0 | 0 | 108.7 | D81 | L77-D81 HydrophobicContact CB-CB 4.42Å; L77-D81 HydrophobicContact CD2-CB 3.8Å |
| 78 | S | 60.4 | Low | 55 | Low | 50 Ų | 50 | 119.8 Ų | 119.8 | 35% | 0.35 | 63% | 0.633 | S | S | . | * | | | trans | -63.9 | 153.7 | 177.4 | 70.7 | 0 | 0 | 0 | 0 | 109 | L76 S80 D81 F82 | L76-S78 PolarHBondContact O-N 3.36Å; L76-S78 VanDerWaalsContact O-N 3.15Å; S78-S80 PolarHBondContact O-N 3.49Å; S78-S80 VanDerWaalsContact O-N 3.12Å; S78-S80 PolarHBondContact OG-OG 3.26Å; S78-D81 PolarHBondContact N-OD2 3.45Å; S78-D81 VanDerWaalsContact N-OD2 3.09Å; S78-D81 WeakPolarHBondContact O-CB 3.39Å; S78-D81 PolarHBondContact O-N 3.36Å; S78-D81 PolarHBondContact OG-N 2.91Å; S78-D81 PolarHBondContact OG-OD2 3.19Å; S78-F82 PolarHBondContact O-N 3.11Å |
| 79 | T | 60.3 | Low | 54.9 | Low | 130 Ų | 130 | 117.9 Ų | 117.9 | 80% | 0.798 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -58.2 | -27.1 | 178.4 | 49.1 | 0 | 0 | 0 | 0 | 112.2 | F82 E83 | T79-F82 WeakPolarHBondContact O-CB 3.5Å; T79-F82 PolarHBondContact O-N 3.24Å; T79-E83 PolarHBondContact O-N 3.26Å |
| 80 | S | 61.8 | Low | 54.9 | Low | 60 Ų | 60 | 117.3 Ų | 117.3 | 42% | 0.42 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -74.3 | -30 | 175.1 | 62 | 0 | 0 | 0 | 0 | 113.2 | S78 F82 E83 R84 | S78-S80 PolarHBondContact O-N 3.49Å; S78-S80 VanDerWaalsContact O-N 3.12Å; S78-S80 PolarHBondContact OG-OG 3.26Å; S80-F82 VanDerWaalsContact C-N 3.27Å; S80-F82 PolarHBondContact O-N 3.32Å; S80-E83 PolarHBondContact O-N 3.37Å; S80-R84 WeakPolarHBondContact O-CG 3.29Å; S80-R84 PolarHBondContact O-N 3.28Å |
| 81 | D | 61.5 | Low | 54.9 | Low | 61 Ų | 61 | 114.7 Ų | 114.7 | 33% | 0.326 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -65.6 | -35.3 | 170.9 | -63.1 | -47.6 | 0 | 0 | 0 | 110.9 | L77 S78 R84 L85 | L77-D81 HydrophobicContact CB-CB 4.42Å; L77-D81 HydrophobicContact CD2-CB 3.8Å; S78-D81 PolarHBondContact N-OD2 3.45Å; S78-D81 VanDerWaalsContact N-OD2 3.09Å; S78-D81 WeakPolarHBondContact O-CB 3.39Å; S78-D81 PolarHBondContact O-N 3.36Å; S78-D81 PolarHBondContact OG-N 2.91Å; S78-D81 PolarHBondContact OG-OD2 3.19Å; D81-R84 PolarHBondContact O-N 2.85Å; D81-L85 WeakPolarHBondContact O-CB 3.32Å; D81-L85 VanDerWaalsContact O-CG 3.3Å; D81-L85 WeakPolarHBondContact O-CG 3.11Å; D81-L85 PolarHBondContact O-N 2.69Å |
| 82 | F | 54.9 | Low | 54.7 | Low | 153 Ų | 153 | 118.5 Ų | 118.5 | 67% | 0.671 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -64.7 | -42 | 175.9 | -158.2 | -89 | 0 | 0 | 0 | 112 | S78 T79 S80 L85 S86 | S78-F82 PolarHBondContact O-N 3.11Å; T79-F82 WeakPolarHBondContact O-CB 3.5Å; T79-F82 PolarHBondContact O-N 3.24Å; S80-F82 VanDerWaalsContact C-N 3.27Å; S80-F82 PolarHBondContact O-N 3.32Å; F82-L85 PolarHBondContact O-N 3.13Å; F82-S86 PolarHBondContact O-N 2.77Å |
| 83 | E | 59.4 | Low | 54.5 | Low | 137 Ų | 137 | 116.9 Ų | 116.9 | 64% | 0.64 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -66.1 | -38.6 | 173.5 | -77 | -175.6 | 164.9 | 0 | 0 | 112.5 | T79 S80 L85 S86 N87 | T79-E83 PolarHBondContact O-N 3.26Å; S80-E83 PolarHBondContact O-N 3.37Å; E83-L85 VanDerWaalsContact C-N 3.32Å; E83-L85 PolarHBondContact O-N 3.42Å; E83-S86 WeakPolarHBondContact CA-OG 3.44Å; E83-S86 PolarHBondContact O-N 2.79Å; E83-S86 PolarHBondContact O-OG 2.94Å; E83-N87 PolarHBondContact O-N 2.91Å |
| 84 | R | 60.1 | Low | 54.4 | Low | 188 Ų | 188 | 113.6 Ų | 113.6 | 71% | 0.709 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -62.9 | -40.1 | 174.7 | -76.1 | 179.6 | 172.3 | -144 | -1.8 | 112 | S80 D81 | S80-R84 WeakPolarHBondContact O-CG 3.29Å; S80-R84 PolarHBondContact O-N 3.28Å; D81-R84 PolarHBondContact O-N 2.85Å |
| 85 | L | 56.1 | Low | 54.1 | Low | 97 Ų | 97 | 113.7 Ų | 113.7 | 51% | 0.508 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -75.8 | -27.8 | 178.7 | -68.5 | 176.2 | 0 | 0 | 0 | 112.8 | D81 F82 E83 N87 I88 | D81-L85 WeakPolarHBondContact O-CB 3.32Å; D81-L85 VanDerWaalsContact O-CG 3.3Å; D81-L85 WeakPolarHBondContact O-CG 3.11Å; D81-L85 PolarHBondContact O-N 2.69Å; F82-L85 PolarHBondContact O-N 3.13Å; E83-L85 VanDerWaalsContact C-N 3.32Å; E83-L85 PolarHBondContact O-N 3.42Å; L85-N87 PolarHBondContact O-N 2.96Å; L85-I88 HydrophobicContact CD2-CD1 3.91Å; L85-I88 PolarHBondContact O-N 2.71Å |
| 86 | S | 57.6 | Low | 53.6 | Low | 65 Ų | 65 | 115.5 Ų | 115.5 | 46% | 0.455 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -66 | -28.3 | 175.9 | 64.6 | 0 | 0 | 0 | 0 | 112.6 | F82 E83 I88 | F82-S86 PolarHBondContact O-N 2.77Å; E83-S86 WeakPolarHBondContact CA-OG 3.44Å; E83-S86 PolarHBondContact O-N 2.79Å; E83-S86 PolarHBondContact O-OG 2.94Å; S86-I88 VanDerWaalsContact C-N 3.31Å; S86-I88 PolarHBondContact O-N 2.83Å |
| 87 | N | 54 | Low | 53.1 | Low | 137 Ų | 137 | 113.8 Ų | 113.8 | 73% | 0.733 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -5.4 | 177.4 | -77.4 | 1.6 | 0 | 0 | 0 | 114.3 | E83 L85 | E83-N87 PolarHBondContact O-N 2.91Å; L85-N87 PolarHBondContact O-N 2.96Å |
| 88 | I | 53.4 | Low | 52.4 | Low | 132 Ų | 132 | 115.3 Ų | 115.3 | 68% | 0.677 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -16.2 | 175.5 | -57.4 | 176 | 0 | 0 | 0 | 111 | L85 S86 L90 | L85-I88 HydrophobicContact CD2-CD1 3.91Å; L85-I88 PolarHBondContact O-N 2.71Å; S86-I88 VanDerWaalsContact C-N 3.31Å; S86-I88 PolarHBondContact O-N 2.83Å; I88-L90 PolarHBondContact O-N 2.77Å |
| 89 | A | 48.4 | Very low | 51.6 | Low | 70 Ų | 70 | 120.9 Ų | 120.9 | 58% | 0.579 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | 114 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 90 | L | 49.5 | Very low | 50.7 | Low | 139 Ų | 139 | 117.2 Ų | 117.2 | 73% | 0.728 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 84.7 | 50.5 | 168.5 | -44.1 | 170.1 | 0 | 0 | 0 | 116.4 | I88 D92 | I88-L90 PolarHBondContact O-N 2.77Å; L90-D92 PolarHBondContact O-N 3.16Å |
| 91 | C | 44.8 | Very low | 49.9 | Very low | 101 Ų | 101 | 121.8 Ų | 121.8 | 68% | 0.682 | 67% | 0.674 | S | S | * | * | | | trans | -71 | 78.3 | 134 | -86.9 | 0 | 0 | 0 | 0 | 107.2 | D93 | C91-D93 PolarHBondContact O-N 3.21Å; C91-D93 PolarHBondContact SG-OD2 3.25Å; C91-D93 VanDerWaalsContact SG-OD2 3.35Å |
| 92 | D | 45.2 | Very low | 49 | Very low | 138 Ų | 138 | 125.1 Ų | 125.1 | 74% | 0.738 | 70% | 0.696 | S | S | * | * | | | trans | -71.5 | 37.6 | 160.3 | -83 | -29.9 | 0 | 0 | 0 | 109.9 | L90 S94 | L90-D92 PolarHBondContact O-N 3.16Å; D92-S94 PolarHBondContact O-N 3.02Å |
| 93 | D | 46.3 | Very low | 48.7 | Very low | 120 Ų | 120 | 122.5 Ų | 122.5 | 64% | 0.642 | 70% | 0.695 | S | S | * | * | | | trans | -77 | 113.8 | 177.5 | -71.9 | -38.9 | 0 | 0 | 0 | 107.6 | C91 | C91-D93 PolarHBondContact O-N 3.21Å; C91-D93 PolarHBondContact SG-OD2 3.25Å; C91-D93 VanDerWaalsContact SG-OD2 3.35Å |
| 94 | S | 45.8 | Very low | 48.1 | Very low | 104 Ų | 104 | 121 Ų | 121 | 73% | 0.727 | 70% | 0.697 | S | S | * | * | | | trans | 71.5 | 53.5 | 153.2 | 68.2 | 0 | 0 | 0 | 0 | 116.9 | D92 P96 | D92-S94 PolarHBondContact O-N 3.02Å; S94-P96 VanDerWaalsContact O-CD 3.29Å; S94-P96 WeakPolarHBondContact O-CD 3.35Å |
| 95 | L | 46.8 | Very low | 47.7 | Very low | 166 Ų | 166 | 117.6 Ų | 117.6 | 87% | 0.869 | 70% | 0.699 | S | S | * | * | | | trans | -67 | 116 | 138.6 | -72.7 | 179 | 0 | 0 | 0 | 106.5 | S97 | L95-S97 PolarHBondContact O-N 3.48Š|
| 96 | P | 43.9 | Very low | 47.5 | Very low | 109 Ų | 109 | 118.3 Ų | 118.3 | 71% | 0.708 | 71% | 0.71 | S | S | * | * | | | trans | -56.7 | 120.4 | -179.8 | 22.5 | -31.6 | 0 | 0 | 0 | 107.4 | S94 N98 | S94-P96 VanDerWaalsContact O-CD 3.29Å; S94-P96 WeakPolarHBondContact O-CD 3.35Å; P96-N98 PolarHBondContact O-N 3.38Å |
| 97 | S | 47 | Very low | 47 | Very low | 109 Ų | 109 | 120 Ų | 120 | 76% | 0.762 | 72% | 0.719 | S | S | * | * | | | trans | -66.1 | 61.3 | 172.3 | 48.3 | 0 | 0 | 0 | 0 | 109.8 | L95 M99 | L95-S97 PolarHBondContact O-N 3.48Å; S97-M99 PolarHBondContact O-N 3.45Å |
| 98 | N | 42.6 | Very low | 46.4 | Very low | 156 Ų | 156 | 119.9 Ų | 119.9 | 83% | 0.834 | 73% | 0.726 | S | S | * | * | | | trans | -75.2 | 46.5 | 154.5 | -114.8 | -16.1 | 0 | 0 | 0 | 108.2 | P96 G100 | P96-N98 PolarHBondContact O-N 3.38Å; N98-G100 PolarHBondContact O-N 3.48Å |
| 99 | M | 44.9 | Very low | 45.9 | Very low | 166 Ų | 166 | 119.7 Ų | 119.7 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | | | trans | -69.6 | 86.3 | 150.6 | -70.3 | -137 | -61.1 | 0 | 0 | 103.9 | S97 I101 | S97-M99 PolarHBondContact O-N 3.45Å; M99-I101 PolarHBondContact O-N 3.1Å |
| 100 | G | 39.8 | Very low | 45.4 | Very low | 54 Ų | 54 | 122.1 Ų | 122.1 | 56% | 0.557 | 74% | 0.738 | S | S | * | * | | | trans | -45 | 116.4 | 166 | 0 | 0 | 0 | 0 | 0 | 106.1 | N98 V102 | N98-G100 PolarHBondContact O-N 3.48Å; G100-V102 VanDerWaalsContact C-N 3.28Å; G100-V102 PolarHBondContact O-N 3.01Å |
| 101 | I | 45.3 | Very low | 44.8 | Very low | 156 Ų | 156 | 121.7 Ų | 121.7 | 80% | 0.8 | 74% | 0.741 | S | S | * | * | | | trans | -51.2 | 103.8 | 172 | -64.7 | 165.3 | 0 | 0 | 0 | 104.1 | M99 P103 | M99-I101 PolarHBondContact O-N 3.1Å; I101-P103 WeakPolarHBondContact O-CD 3.47Å |
| 102 | V | 43.4 | Very low | 44.5 | Very low | 130 Ų | 130 | 123.1 Ų | 123.1 | 79% | 0.788 | 75% | 0.746 | S | S | * | * | | | trans | -64.2 | 110.3 | 170.4 | 177.5 | 0 | 0 | 0 | 0 | 103 | G100 | G100-V102 VanDerWaalsContact C-N 3.28Å; G100-V102 PolarHBondContact O-N 3.01Å |
| 103 | P | 48.1 | Very low | 44 | Very low | 98 Ų | 98 | 122.2 Ų | 122.2 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -58 | 134.8 | -179.6 | 23.1 | -30.7 | 0 | 0 | 0 | 107.2 | I101 | I101-P103 WeakPolarHBondContact O-CD 3.47Š|
| 104 | P | 48 | Very low | 43.7 | Very low | 106 Ų | 106 | 120 Ų | 120 | 69% | 0.688 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 144 | 177.3 | 22.4 | -31.9 | 0 | 0 | 0 | 109 | | |
| 105 | P | 51.2 | Low | 43.4 | Very low | 117 Ų | 117 | 123.3 Ų | 123.3 | 76% | 0.76 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 129.9 | -177.3 | 22.8 | -32.5 | 0 | 0 | 0 | 108.8 | | |
| 106 | P | 50.6 | Low | 43 | Very low | 111 Ų | 111 | 125.7 Ų | 125.7 | 72% | 0.721 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 145.9 | 177.7 | 23.3 | -31.6 | 0 | 0 | 0 | 109.4 | | |
| 107 | P | 47.9 | Very low | 42.8 | Very low | 102 Ų | 102 | 132 Ų | 132 | 66% | 0.662 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 150.3 | 177.2 | 24.1 | -33 | 0 | 0 | 0 | 110 | V109 | P107-V109 VanDerWaalsContact C-N 3.31Å; P107-V109 WeakPolarHBondContact O-CG2 3.32Å; P107-V109 PolarHBondContact O-N 3.07Å |
| 108 | P | 42.5 | Very low | 42.9 | Very low | 134 Ų | 134 | 136 Ų | 136 | 87% | 0.87 | 77% | 0.768 | S | S | * | * | | | trans | -66.3 | 90.1 | -178.1 | 27.5 | -33.8 | 0 | 0 | 0 | 109.6 | T110 | P108-T110 PolarHBondContact O-N 3.2Š|
| 109 | V | 41.1 | Very low | 43.1 | Very low | 128 Ų | 128 | 134.1 Ų | 134.1 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | | | trans | -83.8 | 112.3 | 169.4 | -122.1 | 0 | 0 | 0 | 0 | 107.7 | P107 V111 | P107-V109 VanDerWaalsContact C-N 3.31Å; P107-V109 WeakPolarHBondContact O-CG2 3.32Å; P107-V109 PolarHBondContact O-N 3.07Å; V109-V111 PolarHBondContact O-N 2.91Å |
| 110 | T | 38.1 | Very low | 43.1 | Very low | 120 Ų | 120 | 133 Ų | 133 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | | | trans | -45 | 119.6 | 170 | 25 | 0 | 0 | 0 | 0 | 112.2 | P108 | P108-T110 PolarHBondContact O-N 3.2Š|
| 111 | V | 37.4 | Very low | 43.4 | Very low | 130 Ų | 130 | 141.7 Ų | 141.7 | 79% | 0.788 | 78% | 0.783 | S | S | * | * | | | trans | 40.1 | 94.6 | 145.9 | -127.5 | 0 | 0 | 0 | 0 | 117.1 | V109 | V109-V111 PolarHBondContact O-N 2.91Š|
| 112 | V | 38.9 | Very low | 43.2 | Very low | 131 Ų | 131 | 137.1 Ų | 137.1 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | | | trans | -134.6 | 91.1 | 142.7 | -172.4 | 0 | 0 | 0 | 0 | 108.2 | S114 | V112-S114 PolarHBondContact O-N 3Å; V112-S114 VanDerWaalsContact O-N 3.11Å |
| 113 | S | 34.7 | Very low | 43.4 | Very low | 120 Ų | 120 | 139.1 Ų | 139.1 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | | | trans | -72 | 91.7 | 167.3 | 176 | 0 | 0 | 0 | 0 | 108.4 | | |
| 114 | S | 40.6 | Very low | 43.5 | Very low | 74 Ų | 74 | 143.2 Ų | 143.2 | 52% | 0.517 | 78% | 0.782 | S | S | . | * | | | trans | -172.1 | 129.3 | 150.4 | 45.4 | 0 | 0 | 0 | 0 | 111.4 | V112 | V112-S114 PolarHBondContact O-N 3Å; V112-S114 VanDerWaalsContact O-N 3.11Å |
| 115 | M | 38.4 | Very low | 43.5 | Very low | 173 Ų | 173 | 147 Ų | 147 | 85% | 0.852 | 79% | 0.788 | S | S | * | * | | | trans | 66.5 | 69.8 | 150.9 | -61 | -168.9 | -96.9 | 0 | 0 | 118.3 | | |
| 116 | F | 38.3 | Very low | 43.4 | Very low | 216 Ų | 216 | 152 Ų | 152 | 95% | 0.947 | 79% | 0.792 | S | S | * | * | | | trans | -111.7 | 113.8 | 151.5 | -94 | -89.6 | 0 | 0 | 0 | 111.6 | | |
| 117 | R | 41.1 | Very low | 43.2 | Very low | 240 Ų | 240 | 156 Ų | 156 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | | | trans | -51.8 | 139.8 | -177.9 | -71.2 | 176.7 | 168.7 | -172.4 | -3.5 | 111.9 | | |
| 118 | K | 48.3 | Very low | 43.1 | Very low | 194 Ų | 194 | 156.2 Ų | 156.2 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | | | trans | -52.1 | 127.5 | 169.4 | -77.5 | 177.4 | 178.2 | 174.1 | 0 | 109.4 | V120 | K118-V120 PolarHBondContact O-N 3.16Å; K118-V120 VanDerWaalsContact O-N 3.08Å |
| 119 | P | 47.1 | Very low | 43.5 | Very low | 117 Ų | 117 | 157.9 Ų | 157.9 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | | | trans | -66.6 | 112.8 | 174.9 | 24.9 | -30.4 | 0 | 0 | 0 | 109 | R121 | P119-R121 VanDerWaalsContact C-N 3.26Å; P119-R121 PolarHBondContact O-N 2.77Å |
| 120 | V | 44 | Very low | 43.6 | Very low | 143 Ų | 143 | 154.6 Ų | 154.6 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | | | trans | -65.6 | 91 | 166.1 | 180 | 0 | 0 | 0 | 0 | 106.4 | K118 G122 | K118-V120 PolarHBondContact O-N 3.16Å; K118-V120 VanDerWaalsContact O-N 3.08Å; V120-G122 VanDerWaalsContact C-N 3.31Å; V120-G122 PolarHBondContact O-N 3.49Å |
| 121 | R | 46.5 | Very low | 44.2 | Very low | 236 Ų | 236 | 156.3 Ų | 156.3 | 89% | 0.891 | 80% | 0.798 | S | S | * | * | | | trans | -67.9 | 97.4 | 171.5 | -95.7 | -174.2 | 174.1 | -179.4 | -0.1 | 107.1 | P119 E123 | P119-R121 VanDerWaalsContact C-N 3.26Å; P119-R121 PolarHBondContact O-N 2.77Å; R121-E123 PolarHBondContact O-N 3.23Å |
| 122 | G | 41.7 | Very low | 44.9 | Very low | 59 Ų | 59 | 154.3 Ų | 154.3 | 61% | 0.608 | 79% | 0.788 | S | S | * | * | | | trans | -49.5 | 128.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110 | V120 K124 | V120-G122 VanDerWaalsContact C-N 3.31Å; V120-G122 PolarHBondContact O-N 3.49Å; G122-K124 PolarHBondContact O-N 3Å |
| 123 | E | 48.2 | Very low | 45.8 | Very low | 173 Ų | 173 | 159.2 Ų | 159.2 | 81% | 0.808 | 79% | 0.792 | S | S | * | * | | | trans | -62.1 | 76.6 | 173.9 | -64.5 | -175.2 | 165.1 | 0 | 0 | 109.9 | R121 K125 | R121-E123 PolarHBondContact O-N 3.23Å; E123-K125 PolarHBondContact O-N 3.12Å |
| 124 | K | 49.7 | Very low | 46.8 | Very low | 183 Ų | 183 | 158 Ų | 158 | 80% | 0.796 | 78% | 0.779 | S | S | * | * | | | trans | -70.7 | 93.6 | 163.8 | -76.8 | -175.9 | 176.1 | 178 | 0 | 105.9 | G122 R126 | G122-K124 PolarHBondContact O-N 3Å; K124-R126 PolarHBondContact O-N 2.99Å |
| 125 | K | 46.8 | Very low | 47.5 | Very low | 185 Ų | 185 | 161.1 Ų | 161.1 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | trans | -52.9 | 70.1 | 162.2 | -68 | -178.5 | 179.3 | 177.3 | 0 | 109.3 | E123 K127 | E123-K125 PolarHBondContact O-N 3.12Å; K125-K127 PolarHBondContact O-N 3.15Å |
| 126 | R | 49.3 | Very low | 48.3 | Very low | 222 Ų | 222 | 156 Ų | 156 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | | | trans | -70.1 | 97.2 | 161.8 | -75.6 | -173.4 | 168 | -180 | -3.2 | 104 | K124 S128 | K124-R126 PolarHBondContact O-N 2.99Å; R126-S128 PolarHBondContact O-N 3.37Å |
| 127 | K | 45.9 | Very low | 49.1 | Very low | 196 Ų | 196 | 154.2 Ų | 154.2 | 85% | 0.852 | 77% | 0.767 | S | S | * | * | | | trans | -55.6 | 86.5 | 159.1 | -65.4 | 177.2 | -178.9 | 178.4 | 0 | 105.3 | K125 L129 | K125-K127 PolarHBondContact O-N 3.15Å; K127-L129 VanDerWaalsContact C-N 3.33Å; K127-L129 PolarHBondContact O-N 3.13Å |
| 128 | S | 47.3 | Very low | 49.7 | Very low | 106 Ų | 106 | 151 Ų | 151 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | | | trans | -60.5 | 108.4 | 165.7 | 54.7 | 0 | 0 | 0 | 0 | 103.9 | R126 G130 | R126-S128 PolarHBondContact O-N 3.37Å; S128-G130 PolarHBondContact O-N 2.81Å |
| 129 | L | 50.5 | Low | 50.1 | Low | 169 Ų | 169 | 149.2 Ų | 149.2 | 89% | 0.885 | 75% | 0.751 | S | S | * | * | | | trans | -54.9 | 96.9 | 166 | -72.4 | 162.3 | 0 | 0 | 0 | 105 | K127 I131 | K127-L129 VanDerWaalsContact C-N 3.33Å; K127-L129 PolarHBondContact O-N 3.13Å; L129-I131 PolarHBondContact O-N 3.26Å; L129-I131 VanDerWaalsContact O-N 3.14Å |
| 130 | G | 43.3 | Very low | 50.7 | Low | 60 Ų | 60 | 149 Ų | 149 | 62% | 0.619 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 122.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 106.5 | S128 | S128-G130 PolarHBondContact O-N 2.81Š|
| 131 | I | 50.9 | Low | 51.3 | Low | 155 Ų | 155 | 145.7 Ų | 145.7 | 80% | 0.795 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 121.8 | 170.9 | -63.9 | 168.2 | 0 | 0 | 0 | 105.9 | L129 R133 | L129-I131 PolarHBondContact O-N 3.26Å; L129-I131 VanDerWaalsContact O-N 3.14Å; I131-R133 PolarHBondContact O-N 2.77Å; I131-R133 VanDerWaalsContact O-N 3.13Å |
| 132 | P | 51.3 | Low | 51.9 | Low | 89 Ų | 89 | 140.5 Ų | 140.5 | 58% | 0.578 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 125.7 | -173.7 | 19.2 | -30.2 | 0 | 0 | 0 | 108.6 | T134 | P132-T134 HydrophobicContact CB-CG2 4.26Å; P132-T134 PolarHBondContact O-N 3.37Å |
| 133 | R | 57.5 | Low | 53 | Low | 234 Ų | 234 | 142.1 Ų | 142.1 | 88% | 0.883 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -63.9 | 15.7 | 178.7 | -70.8 | -179.1 | 172.5 | 164.4 | -2.8 | 113.4 | I131 L135 | I131-R133 PolarHBondContact O-N 2.77Å; I131-R133 VanDerWaalsContact O-N 3.13Å; R133-L135 PolarHBondContact O-N 3.16Å |
| 134 | T | 56.8 | Low | 54.1 | Low | 94 Ų | 94 | 143.9 Ų | 143.9 | 58% | 0.577 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -76.5 | -18.6 | -170.2 | 51.1 | 0 | 0 | 0 | 0 | 113.5 | P132 | P132-T134 HydrophobicContact CB-CG2 4.26Å; P132-T134 PolarHBondContact O-N 3.37Å |
| 135 | L | 54.1 | Low | 54.9 | Low | 140 Ų | 140 | 143.5 Ų | 143.5 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -84.4 | -17.3 | 178.1 | -63.6 | -179.8 | 0 | 0 | 0 | 114.4 | R133 K137 Y138 | R133-L135 PolarHBondContact O-N 3.16Å; L135-K137 VanDerWaalsContact C-N 3.26Å; L135-K137 PolarHBondContact O-N 2.92Å; L135-Y138 PolarHBondContact O-N 3.21Å |
| 136 | A | 55.5 | Low | 56.1 | Low | 66 Ų | 66 | 140 Ų | 140 | 55% | 0.545 | 73% | 0.728 | S | S | . | * | H | α-helix | trans | -66.2 | -28.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y138 Q139 | A136-Y138 PolarHBondContact O-N 2.87Å; A136-Q139 PolarHBondContact O-N 3.2Å |
| 137 | K | 55.3 | Low | 57.2 | Low | 177 Ų | 177 | 139.1 Ų | 139.1 | 77% | 0.77 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -65.5 | -20.9 | 179.8 | -79.7 | -171.7 | 176.8 | -176.6 | 0 | 113.8 | L135 S140 | L135-K137 VanDerWaalsContact C-N 3.26Å; L135-K137 PolarHBondContact O-N 2.92Å; K137-S140 PolarHBondContact O-OG 2.79Å |
| 138 | Y | 54 | Low | 58.2 | Low | 173 Ų | 173 | 137.2 Ų | 137.2 | 68% | 0.678 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -92.6 | -12 | -179.8 | -63.7 | -74.6 | 0 | 0 | 0 | 113.5 | L135 A136 S140 A141 | L135-Y138 PolarHBondContact O-N 3.21Å; A136-Y138 PolarHBondContact O-N 2.87Å; Y138-S140 VanDerWaalsContact C-N 3.35Å; Y138-S140 PolarHBondContact O-N 2.9Å; Y138-A141 PolarHBondContact O-N 2.91Å |
| 139 | Q | 57 | Low | 59.4 | Low | 157 Ų | 157 | 141.7 Ų | 141.7 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | H | α-helix | trans | -73.8 | -28.5 | -178.7 | -158.2 | 159.4 | 13.9 | 0 | 0 | 112.4 | A136 A141 | A136-Q139 PolarHBondContact O-N 3.2Å; Q139-A141 VanDerWaalsContact C-N 3.27Å; Q139-A141 PolarHBondContact O-N 2.96Å |
| 140 | S | 59.4 | Low | 59.7 | Low | 111 Ų | 111 | 141.9 Ų | 141.9 | 78% | 0.776 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -9.5 | 174.7 | 53.9 | 0 | 0 | 0 | 0 | 114.2 | K137 Y138 | K137-S140 PolarHBondContact O-OG 2.79Å; Y138-S140 VanDerWaalsContact C-N 3.35Å; Y138-S140 PolarHBondContact O-N 2.9Å |
| 141 | A | 56.9 | Low | 60.8 | Low | 74 Ų | 74 | 147.4 Ų | 147.4 | 61% | 0.612 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | 2.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y138 Q139 P143 | Y138-A141 PolarHBondContact O-N 2.91Å; Q139-A141 VanDerWaalsContact C-N 3.27Å; Q139-A141 PolarHBondContact O-N 2.96Å; A141-P143 WeakPolarHBondContact O-CD 3.48Å |
| 142 | L | 59.2 | Low | 61.2 | Low | 128 Ų | 128 | 145.6 Ų | 145.6 | 67% | 0.67 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -71.2 | 125.2 | 175.8 | -77.4 | 167.6 | 0 | 0 | 0 | 109.9 | K144 | L142-K144 PolarHBondContact O-N 3.04Å; L142-K144 VanDerWaalsContact O-N 3.15Å |
| 143 | P | 64 | Low | 61.8 | Low | 92 Ų | 92 | 147.9 Ų | 147.9 | 60% | 0.597 | 75% | 0.753 | S | S | * | * | | | trans | -54.7 | 122.8 | 175.1 | -22.3 | 31.4 | 0 | 0 | 0 | 109.9 | A141 F145 | A141-P143 WeakPolarHBondContact O-CD 3.48Å; P143-F145 WeakPolarHBondContact O-CD2 3.4Å; P143-F145 PolarHBondContact O-N 3.35Å |
| 144 | K | 70.6 | Confident | 61.7 | Low | 211 Ų | 211 | 144 Ų | 144 | 92% | 0.917 | 75% | 0.749 | S | S | * | * | | | trans | -67.2 | 100.8 | 171.4 | -70.2 | 178 | -177.4 | 174.4 | 0 | 107.6 | L142 | L142-K144 PolarHBondContact O-N 3.04Å; L142-K144 VanDerWaalsContact O-N 3.15Å |
| 145 | F | 67.5 | Low | 61.7 | Low | 175 Ų | 175 | 145 Ų | 145 | 77% | 0.768 | 76% | 0.757 | S | S | * | * | | | trans | -65.1 | 132.9 | 174.1 | -70.8 | -80.8 | 0 | 0 | 0 | 109.5 | P143 K147 | P143-F145 WeakPolarHBondContact O-CD2 3.4Å; P143-F145 PolarHBondContact O-N 3.35Å; F145-K147 PolarHBondContact O-N 3.44Å |
| 146 | P | 72.6 | Confident | 61.7 | Low | 112 Ų | 112 | 144.6 Ų | 144.6 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | | | trans | -60.6 | 128.3 | 173.1 | 23.9 | -30.9 | 0 | 0 | 0 | 108.8 | L148 | P146-L148 PolarHBondContact O-N 3.04Å; P146-L148 VanDerWaalsContact O-N 3.07Å |
| 147 | K | 72.7 | Confident | 61.4 | Low | 203 Ų | 203 | 145.4 Ų | 145.4 | 88% | 0.883 | 76% | 0.755 | S | S | * | * | | | trans | -60.4 | 114.2 | 176.4 | -68.6 | 179.8 | -179.3 | 178.2 | 0 | 108.1 | F145 K149 | F145-K147 PolarHBondContact O-N 3.44Å; K147-K149 PolarHBondContact O-N 2.75Å |
| 148 | L | 66.6 | Low | 61.5 | Low | 156 Ų | 156 | 142.8 Ų | 142.8 | 82% | 0.817 | 75% | 0.749 | S | S | * | * | | | trans | -64.2 | 118.4 | 171.8 | -65.5 | 174.3 | 0 | 0 | 0 | 107.7 | P146 M150 | P146-L148 PolarHBondContact O-N 3.04Å; P146-L148 VanDerWaalsContact O-N 3.07Å; L148-M150 PolarHBondContact O-N 2.88Å; L148-M150 VanDerWaalsContact O-N 3.16Å |
| 149 | K | 70.7 | Confident | 61.5 | Low | 200 Ų | 200 | 142 Ų | 142 | 87% | 0.87 | 75% | 0.752 | S | S | * | * | | | trans | -64 | 115.7 | 168.6 | -69.4 | -177.5 | 179.3 | -179.5 | 0 | 106.8 | K147 Q151 | K147-K149 PolarHBondContact O-N 2.75Å; K149-Q151 PolarHBondContact O-N 2.77Å |
| 150 | M | 58.3 | Low | 61.1 | Low | 173 Ų | 173 | 139.1 Ų | 139.1 | 85% | 0.852 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 118.6 | 170.6 | -65.9 | -97.7 | 72.8 | 0 | 0 | 106.8 | L148 | L148-M150 PolarHBondContact O-N 2.88Å; L148-M150 VanDerWaalsContact O-N 3.16Å |
| 151 | Q | 66.2 | Low | 60.6 | Low | 175 Ų | 175 | 137.8 Ų | 137.8 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 139.6 | 167.4 | -72.9 | -160.9 | 2.9 | 0 | 0 | 108.2 | K149 V153 | K149-Q151 PolarHBondContact O-N 2.77Å; Q151-V153 PolarHBondContact O-N 3.22Å |
| 152 | P | 60 | Low | 60.1 | Low | 117 Ų | 117 | 143.4 Ų | 143.4 | 76% | 0.76 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 127.3 | 172.2 | 23.7 | -31.2 | 0 | 0 | 0 | 108.4 | L154 | P152-L154 PolarHBondContact O-N 2.78Š|
| 153 | V | 62.3 | Low | 59.6 | Low | 138 Ų | 138 | 141.5 Ų | 141.5 | 84% | 0.836 | 73% | 0.727 | S | S | * | * | | | trans | -62.6 | 111.7 | 171.2 | 177.9 | 0 | 0 | 0 | 0 | 106 | Q151 | Q151-V153 PolarHBondContact O-N 3.22Š|
| 154 | L | 56.8 | Low | 58.8 | Low | 151 Ų | 151 | 142.6 Ų | 142.6 | 79% | 0.791 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 130.3 | 172.4 | -80.8 | 161.4 | 0 | 0 | 0 | 108.1 | P152 L156 | P152-L154 PolarHBondContact O-N 2.78Å; L154-L156 PolarHBondContact O-N 3.22Å |
| 155 | P | 56.8 | Low | 57.6 | Low | 115 Ų | 115 | 139.7 Ų | 139.7 | 75% | 0.747 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 129.9 | 174.7 | 21.3 | -29.6 | 0 | 0 | 0 | 108.8 | | |
| 156 | L | 53.9 | Low | 56.6 | Low | 133 Ų | 133 | 135.8 Ų | 135.8 | 70% | 0.696 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -57 | 138.2 | 175.9 | -82.7 | 142.1 | 0 | 0 | 0 | 108.9 | L154 D158 I160 | L154-L156 PolarHBondContact O-N 3.22Å; L156-D158 PolarHBondContact O-N 3.48Å; L156-I160 HydrophobicContact CD2-CD1 4.31Å |
| 157 | P | 48.2 | Very low | 55.2 | Low | 82 Ų | 82 | 139.7 Ų | 139.7 | 53% | 0.532 | 71% | 0.708 | S | S | . | * | P | Polyproline II helix | trans | -58.2 | 131.1 | -178.8 | 20.9 | -30.6 | 0 | 0 | 0 | 111.1 | E159 I160 | P157-E159 PolarHBondContact O-N 3.37Å; P157-I160 PolarHBondContact O-N 3.46Å |
| 158 | D | 57.2 | Low | 53.9 | Low | 123 Ų | 123 | 133.2 Ų | 133.2 | 66% | 0.658 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.9 | -13.1 | -174.2 | -66.6 | -28.2 | 0 | 0 | 0 | 114.9 | L156 I160 T161 R162 | L156-D158 PolarHBondContact O-N 3.48Å; D158-I160 VanDerWaalsContact C-N 3.28Å; D158-I160 PolarHBondContact O-N 3.36Å; D158-T161 WeakPolarHBondContact CA-OG1 3.33Å; D158-T161 PolarHBondContact O-N 3.46Å; D158-T161 PolarHBondContact O-OG1 3.38Å; D158-R162 PolarHBondContact O-N 2.94Å |
| 159 | E | 53.9 | Low | 52.7 | Low | 155 Ų | 155 | 131.5 Ų | 131.5 | 72% | 0.724 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -61.7 | -35.2 | 177.7 | -68.6 | -177.6 | 169 | 0 | 0 | 112.4 | P157 R162 | P157-E159 PolarHBondContact O-N 3.37Å; E159-R162 PolarHBondContact O-N 3.43Å |
| 160 | I | 48.6 | Very low | 51.4 | Low | 98 Ų | 98 | 127.7 Ų | 127.7 | 50% | 0.503 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -69.1 | -39.7 | 178.6 | -59.6 | 175 | 0 | 0 | 0 | 110.1 | L156 P157 D158 R162 T163 | L156-I160 HydrophobicContact CD2-CD1 4.31Å; P157-I160 PolarHBondContact O-N 3.46Å; D158-I160 VanDerWaalsContact C-N 3.28Å; D158-I160 PolarHBondContact O-N 3.36Å; I160-R162 VanDerWaalsContact C-N 3.33Å; I160-R162 PolarHBondContact O-N 3.4Å; I160-T163 PolarHBondContact O-N 2.7Å; I160-T163 PolarHBondContact O-OG1 2.94Å |
| 161 | T | 49.4 | Very low | 50.8 | Low | 82 Ų | 82 | 130.5 Ų | 130.5 | 50% | 0.503 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -63.8 | -34.6 | 179.5 | 25.8 | 0 | 0 | 0 | 0 | 113.2 | D158 T163 I164 | D158-T161 WeakPolarHBondContact CA-OG1 3.33Å; D158-T161 PolarHBondContact O-N 3.46Å; D158-T161 PolarHBondContact O-OG1 3.38Å; T161-T163 VanDerWaalsContact C-N 3.29Å; T161-T163 PolarHBondContact O-N 3.25Å; T161-I164 PolarHBondContact O-N 3.14Å |
| 162 | R | 46.6 | Very low | 49.6 | Very low | 193 Ų | 193 | 132.7 Ų | 132.7 | 73% | 0.728 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -63.3 | -33.8 | 177.6 | -70.5 | -174.3 | -177.9 | 179.3 | 2 | 113.1 | D158 E159 I160 I164 E165 | D158-R162 PolarHBondContact O-N 2.94Å; E159-R162 PolarHBondContact O-N 3.43Å; I160-R162 VanDerWaalsContact C-N 3.33Å; I160-R162 PolarHBondContact O-N 3.4Å; R162-I164 VanDerWaalsContact C-N 3.26Å; R162-I164 PolarHBondContact O-N 2.69Å; R162-E165 PolarHBondContact O-N 2.88Å |
| 163 | T | 48.7 | Very low | 48.8 | Very low | 87 Ų | 87 | 133.2 Ų | 133.2 | 53% | 0.534 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -70 | -23.4 | 179.6 | 59 | 0 | 0 | 0 | 0 | 113.4 | I160 T161 Y167 | I160-T163 PolarHBondContact O-N 2.7Å; I160-T163 PolarHBondContact O-OG1 2.94Å; T161-T163 VanDerWaalsContact C-N 3.29Å; T161-T163 PolarHBondContact O-N 3.25Å; T163-Y167 WeakPolarHBondContact O-CD2 3.47Å |
| 164 | I | 48.1 | Very low | 47.7 | Very low | 115 Ų | 115 | 130 Ų | 130 | 59% | 0.59 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -74.7 | -32.5 | -178.4 | -58.8 | 173.8 | 0 | 0 | 0 | 111 | T161 R162 | T161-I164 PolarHBondContact O-N 3.14Å; R162-I164 VanDerWaalsContact C-N 3.26Å; R162-I164 PolarHBondContact O-N 2.69Å |
| 165 | E | 44.1 | Very low | 46.8 | Very low | 151 Ų | 151 | 131.9 Ų | 131.9 | 71% | 0.706 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -74.8 | -31.1 | -174.9 | -67.6 | -168.7 | 161.4 | 0 | 0 | 113.9 | R162 Y167 A168 L169 | R162-E165 PolarHBondContact O-N 2.88Å; E165-Y167 VanDerWaalsContact C-N 3.33Å; E165-Y167 PolarHBondContact O-N 3.06Å; E165-A168 PolarHBondContact O-N 2.92Å; E165-L169 PolarHBondContact O-N 2.95Å |
| 166 | V | 46.2 | Very low | 46 | Very low | 92 Ų | 92 | 137.3 Ų | 137.3 | 56% | 0.558 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -66.9 | -34.6 | -177.6 | -173.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 167 | Y | 44.2 | Very low | 45.2 | Very low | 194 Ų | 194 | 138.8 Ų | 138.8 | 76% | 0.761 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -75 | -24.9 | 179.8 | -75.9 | -79.1 | 0 | 0 | 0 | 113.5 | T163 E165 | T163-Y167 WeakPolarHBondContact O-CD2 3.47Å; E165-Y167 VanDerWaalsContact C-N 3.33Å; E165-Y167 PolarHBondContact O-N 3.06Å |
| 168 | A | 46 | Very low | 44.6 | Very low | 68 Ų | 68 | 138.1 Ų | 138.1 | 56% | 0.562 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -77 | -36.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E165 R171 | E165-A168 PolarHBondContact O-N 2.92Å; A168-R171 PolarHBondContact O-N 3.19Å |
| 169 | L | 41.7 | Very low | 43.5 | Very low | 119 Ų | 119 | 143.3 Ų | 143.3 | 62% | 0.623 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -70.6 | -36.2 | -176.9 | -148.3 | 80.9 | 0 | 0 | 0 | 112.5 | E165 R171 R172 | E165-L169 PolarHBondContact O-N 2.95Å; L169-R171 PolarHBondContact O-N 2.84Å; L169-R171 VanDerWaalsContact O-N 3.14Å; L169-R172 PolarHBondContact O-N 3.3Å; L169-R172 VanDerWaalsContact O-N 3.12Å |
| 170 | N | 42.5 | Very low | 42.8 | Very low | 121 Ų | 121 | 141.8 Ų | 141.8 | 65% | 0.647 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -13.2 | -178.8 | -83.1 | -19.6 | 0 | 0 | 0 | 114.5 | | |
| 171 | R | 44.9 | Very low | 42.4 | Very low | 231 Ų | 231 | 144.7 Ų | 144.7 | 87% | 0.872 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -18.8 | 172.4 | -92.7 | -171 | 175.6 | -176.5 | 1.3 | 114.4 | A168 L169 | A168-R171 PolarHBondContact O-N 3.19Å; L169-R171 PolarHBondContact O-N 2.84Å; L169-R171 VanDerWaalsContact O-N 3.14Å |
| 172 | R | 42.4 | Very low | 41.9 | Very low | 221 Ų | 221 | 148 Ų | 148 | 83% | 0.834 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | -17.7 | -178.9 | -72.8 | -171.3 | 178 | -177.6 | 0.9 | 114.2 | L169 | L169-R172 PolarHBondContact O-N 3.3Å; L169-R172 VanDerWaalsContact O-N 3.12Å |
| 173 | I | 43.1 | Very low | 41.6 | Very low | 129 Ų | 129 | 144.1 Ų | 144.1 | 66% | 0.662 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -93.4 | -3.3 | -176.7 | -58.9 | 173.7 | 0 | 0 | 0 | 112.5 | K175 | I173-K175 PolarHBondContact O-N 3.34Š|
| 174 | G | 37.8 | Very low | 41 | Very low | 69 Ų | 69 | 145.6 Ų | 145.6 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | | | trans | -79.6 | 38.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | R176 | G174-R176 PolarHBondContact O-N 3.39Š|
| 175 | K | 38.1 | Very low | 40.7 | Very low | 192 Ų | 192 | 149.9 Ų | 149.9 | 84% | 0.835 | 75% | 0.749 | S | S | * | * | | | trans | -95.1 | 73.2 | 165.1 | -76 | -172.5 | 179.3 | -178.5 | 0 | 108.8 | I173 | I173-K175 PolarHBondContact O-N 3.34Š|
| 176 | R | 39.8 | Very low | 40.5 | Very low | 229 Ų | 229 | 153.3 Ų | 153.3 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -129.4 | 96.4 | 164.3 | -77.4 | -170.5 | 178.2 | 171.8 | 0.4 | 108.8 | G174 G178 | G174-R176 PolarHBondContact O-N 3.39Å; R176-G178 VanDerWaalsContact C-N 3.32Å; R176-G178 PolarHBondContact O-N 3Å |
| 177 | N | 38.4 | Very low | 40.1 | Very low | 163 Ų | 163 | 153.3 Ų | 153.3 | 87% | 0.872 | 77% | 0.765 | S | S | * | * | | | trans | 30.2 | 58 | 141.7 | -54.6 | -8.5 | 0 | 0 | 0 | 115.8 | R179 | N177-R179 PolarHBondContact O-N 2.98Š|
| 178 | G | 34.9 | Very low | 39.7 | Very low | 69 Ų | 69 | 153 Ų | 153 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | | | trans | -73.7 | 102.9 | 163.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | R176 V180 | R176-G178 VanDerWaalsContact C-N 3.32Å; R176-G178 PolarHBondContact O-N 3Å; G178-V180 PolarHBondContact O-N 3.34Å |
| 179 | R | 34.4 | Very low | 39.4 | Very low | 231 Ų | 231 | 154.5 Ų | 154.5 | 87% | 0.872 | 77% | 0.772 | S | S | * | * | | | trans | -38.1 | 122.7 | 168.5 | -83.4 | 177.3 | 170.4 | -178.3 | -3.1 | 109.3 | N177 E181 | N177-R179 PolarHBondContact O-N 2.98Å; R179-E181 PolarHBondContact O-N 2.95Å |
| 180 | V | 38.9 | Very low | 39.3 | Very low | 123 Ų | 123 | 157.2 Ų | 157.2 | 75% | 0.745 | 78% | 0.779 | S | S | * | * | | | trans | -66.7 | 90.7 | 168.2 | 178.9 | 0 | 0 | 0 | 0 | 106.2 | G178 N182 | G178-V180 PolarHBondContact O-N 3.34Å; V180-N182 VanDerWaalsContact C-N 3.34Å; V180-N182 PolarHBondContact O-N 3.49Å |
| 181 | E | 39.8 | Very low | 38.9 | Very low | 159 Ų | 159 | 159.8 Ų | 159.8 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | | | trans | -68.3 | 101.7 | 163.4 | -75.2 | -171.3 | 170.8 | 0 | 0 | 106.9 | R179 T183 | R179-E181 PolarHBondContact O-N 2.95Å; E181-T183 PolarHBondContact O-N 3.28Å |
| 182 | N | 38.5 | Very low | 38.4 | Very low | 151 Ų | 151 | 156.1 Ų | 156.1 | 81% | 0.807 | 79% | 0.789 | S | S | * | * | | | trans | -59.8 | 80.5 | 169.4 | -73.3 | -31.6 | 0 | 0 | 0 | 109 | V180 | V180-N182 VanDerWaalsContact C-N 3.34Å; V180-N182 PolarHBondContact O-N 3.49Å |
| 183 | T | 40.3 | Very low | 38.2 | Very low | 112 Ų | 112 | 156.6 Ų | 156.6 | 69% | 0.687 | 79% | 0.791 | S | S | * | * | | | trans | -79.1 | 127.1 | 167.3 | 43.5 | 0 | 0 | 0 | 0 | 108.2 | E181 K185 | E181-T183 PolarHBondContact O-N 3.28Å; T183-K185 PolarHBondContact O-N 2.7Å |
| 184 | P | 37.8 | Very low | 38 | Very low | 119 Ų | 119 | 158.3 Ų | 158.3 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | | | trans | -64.3 | 128.7 | -172.5 | 23.6 | -31.8 | 0 | 0 | 0 | 110.1 | R186 | P184-R186 PolarHBondContact O-N 3.09Š|
| 185 | K | 41.6 | Very low | 38 | Very low | 205 Ų | 205 | 161.4 Ų | 161.4 | 89% | 0.891 | 79% | 0.794 | S | S | * | * | | | trans | -51.2 | 94.8 | 173.3 | -66.7 | 171.3 | 179.3 | 174.2 | 0 | 109.3 | T183 A187 | T183-K185 PolarHBondContact O-N 2.7Å; K185-A187 VanDerWaalsContact C-N 3.34Å; K185-A187 PolarHBondContact O-N 3.15Å |
| 186 | R | 39.7 | Very low | 38 | Very low | 223 Ų | 223 | 158.2 Ų | 158.2 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | | | trans | -65.8 | 101.8 | 160.1 | -92.6 | -175.9 | 173.6 | 171.6 | -1.2 | 106.5 | P184 F188 | P184-R186 PolarHBondContact O-N 3.09Å; R186-F188 WeakPolarHBondContact O-CD2 3.42Å; R186-F188 PolarHBondContact O-N 3.27Å |
| 187 | A | 37 | Very low | 37.9 | Very low | 91 Ų | 91 | 155.8 Ų | 155.8 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | | | trans | -55.5 | 107.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | K185 P189 | K185-A187 VanDerWaalsContact C-N 3.34Å; K185-A187 PolarHBondContact O-N 3.15Å; A187-P189 WeakPolarHBondContact O-CD 3.3Å |
| 188 | F | 36.6 | Very low | 37.9 | Very low | 188 Ų | 188 | 155 Ų | 155 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | | | trans | -83.4 | 112.9 | 162.1 | -76.9 | -84.8 | 0 | 0 | 0 | 106.8 | R186 F190 | R186-F188 WeakPolarHBondContact O-CD2 3.42Å; R186-F188 PolarHBondContact O-N 3.27Å; F188-F190 PolarHBondContact O-N 2.73Å; F188-F190 VanDerWaalsContact O-N 3.16Å |
| 189 | P | 38.9 | Very low | 38 | Very low | 99 Ų | 99 | 157 Ų | 157 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | | | trans | -82.8 | 15.9 | -170.1 | 31.6 | -31.2 | 0 | 0 | 0 | 114 | A187 | A187-P189 WeakPolarHBondContact O-CD 3.3Š|
| 190 | F | 39.1 | Very low | 38.1 | Very low | 177 Ų | 177 | 150 Ų | 150 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | | | trans | -129.1 | 77.8 | -174 | -61 | -74.5 | 0 | 0 | 0 | 111.6 | F188 | F188-F190 PolarHBondContact O-N 2.73Å; F188-F190 VanDerWaalsContact O-N 3.16Å |
| 191 | L | 34.6 | Very low | 38.2 | Very low | 175 Ų | 175 | 148.5 Ų | 148.5 | 92% | 0.916 | 77% | 0.768 | S | S | * | * | | | trans | -173.9 | 54.6 | 153.4 | -100 | 144 | 0 | 0 | 0 | 109.5 | | |
| 192 | N | 35.8 | Very low | 38 | Very low | 153 Ų | 153 | 148 Ų | 148 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | trans | -107.8 | 59 | 169.4 | -139.2 | 4.1 | 0 | 0 | 0 | 108.2 | | |
| 193 | R | 36.9 | Very low | 37.5 | Very low | 231 Ų | 231 | 144.4 Ų | 144.4 | 87% | 0.872 | 77% | 0.77 | S | S | * | * | | | trans | -101.9 | 94 | 167.5 | -81.9 | -170.8 | -175.9 | 172.6 | 2.1 | 108.3 | N195 | R193-N195 PolarHBondContact O-N 2.98Š|
| 194 | K | 39.2 | Very low | 37.2 | Very low | 165 Ų | 165 | 148.8 Ų | 148.8 | 72% | 0.717 | 78% | 0.779 | S | S | * | * | | | trans | -47.5 | 100.3 | 159.8 | -61.5 | 173.8 | 176.8 | -178.6 | 0 | 108.9 | | |
| 195 | N | 38.7 | Very low | 36.8 | Very low | 135 Ų | 135 | 147.2 Ų | 147.2 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | | | trans | -112.2 | 74.3 | 157.3 | -81.3 | -3 | 0 | 0 | 0 | 106.3 | R193 F197 | R193-N195 PolarHBondContact O-N 2.98Å; N195-F197 PolarHBondContact O-N 3.47Å |
| 196 | D | 37.6 | Very low | 36.7 | Very low | 125 Ų | 125 | 141.5 Ų | 141.5 | 67% | 0.668 | 78% | 0.776 | S | S | * | * | | | trans | -69.9 | 69 | 165.2 | -63.1 | -47.2 | 0 | 0 | 0 | 108.6 | N198 | D196-N198 PolarHBondContact O-N 3.31Š|
| 197 | F | 37.4 | Very low | 36.4 | Very low | 177 Ų | 177 | 142.2 Ų | 142.2 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | | | trans | -87.7 | 69 | 162.5 | -94.4 | -85.2 | 0 | 0 | 0 | 108.6 | N195 V199 | N195-F197 PolarHBondContact O-N 3.47Å; F197-V199 HydrophobicContact CD1-CG2 3.95Å; F197-V199 PolarHBondContact O-N 3.26Å |
| 198 | N | 38.3 | Very low | 36.4 | Very low | 148 Ų | 148 | 147.6 Ų | 147.6 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | | | trans | -74.1 | 73.6 | 160.8 | -81.9 | -30.9 | 0 | 0 | 0 | 108.3 | D196 A200 | D196-N198 PolarHBondContact O-N 3.31Å; N198-A200 VanDerWaalsContact C-N 3.25Å; N198-A200 PolarHBondContact O-N 3.4Å |
| 199 | V | 38 | Very low | 36.8 | Very low | 111 Ų | 111 | 144.2 Ų | 144.2 | 67% | 0.673 | 78% | 0.782 | S | S | * | * | | | trans | -78.4 | 89.8 | 162.8 | -179.2 | 0 | 0 | 0 | 0 | 106.5 | F197 A201 | F197-V199 HydrophobicContact CD1-CG2 3.95Å; F197-V199 PolarHBondContact O-N 3.26Å; V199-A201 PolarHBondContact O-N 3.24Å |
| 200 | A | 36.4 | Very low | 36.7 | Very low | 83 Ų | 83 | 148.4 Ų | 148.4 | 69% | 0.686 | 79% | 0.79 | S | S | * | * | | | trans | -61.1 | 88.1 | 161.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | N198 N202 | N198-A200 VanDerWaalsContact C-N 3.25Å; N198-A200 PolarHBondContact O-N 3.4Å; A200-N202 VanDerWaalsContact C-N 3.31Å; A200-N202 PolarHBondContact O-N 2.86Å |
| 201 | A | 40.9 | Very low | 36.7 | Very low | 91 Ų | 91 | 148.4 Ų | 148.4 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | | | trans | -69.3 | 96.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | V199 | V199-A201 PolarHBondContact O-N 3.24Š|
| 202 | N | 34.6 | Very low | 36.9 | Very low | 148 Ų | 148 | 148.3 Ų | 148.3 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | | | trans | -46.1 | 136.7 | 171.6 | -77.6 | -27.3 | 0 | 0 | 0 | 111.2 | A200 F204 | A200-N202 VanDerWaalsContact C-N 3.31Å; A200-N202 PolarHBondContact O-N 2.86Å; N202-F204 PolarHBondContact O-N 3.43Å |
| 203 | G | 29.1 | Very low | 37.2 | Very low | 77 Ų | 77 | 145.7 Ų | 145.7 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | | | trans | -52.5 | 118 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 204 | F | 33.8 | Very low | 37.5 | Very low | 203 Ų | 203 | 142 Ų | 142 | 89% | 0.89 | 78% | 0.779 | S | S | * | * | | | trans | -106.1 | 112.2 | 148.8 | -104.9 | -96 | 0 | 0 | 0 | 107.4 | N202 A206 | N202-F204 PolarHBondContact O-N 3.43Å; F204-A206 PolarHBondContact O-N 3.38Å |
| 205 | G | 29.5 | Very low | 37.6 | Very low | 87 Ų | 87 | 143.1 Ų | 143.1 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | | | trans | -62 | 81.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 206 | A | 38.7 | Very low | 37.7 | Very low | 84 Ų | 84 | 141.7 Ų | 141.7 | 69% | 0.694 | 78% | 0.78 | S | S | * | * | | | trans | -104.1 | 97.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | F204 | F204-A206 PolarHBondContact O-N 3.38Š|
| 207 | R | 34.4 | Very low | 37.9 | Very low | 238 Ų | 238 | 141.4 Ų | 141.4 | 90% | 0.898 | 79% | 0.785 | S | S | * | * | | | trans | 12.1 | 112.7 | 156.2 | -64.7 | 178.4 | 175 | -174 | -2.8 | 115.3 | P209 | R207-P209 WeakPolarHBondContact O-CD 3.47Š|
| 208 | K | 36.7 | Very low | 38.4 | Very low | 205 Ų | 205 | 140.1 Ų | 140.1 | 89% | 0.891 | 79% | 0.785 | S | S | * | * | | | trans | -23.9 | 102.2 | 166.6 | -66.4 | 175.7 | -179.9 | 177.2 | 0 | 111.5 | F210 | K208-F210 PolarHBondContact O-N 3.32Š|
| 209 | P | 43.9 | Very low | 38.5 | Very low | 117 Ų | 117 | 136.1 Ų | 136.1 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | | | trans | -66.6 | 135.1 | 168.3 | 27.1 | -29.4 | 0 | 0 | 0 | 106.9 | R207 L211 | R207-P209 WeakPolarHBondContact O-CD 3.47Å; P209-L211 PolarHBondContact O-N 3.25Å |
| 210 | F | 37.3 | Very low | 38.8 | Very low | 186 Ų | 186 | 136.5 Ų | 136.5 | 82% | 0.816 | 78% | 0.781 | S | S | * | * | | | trans | -40.3 | 134.7 | 173.4 | -90.6 | -107.8 | 0 | 0 | 0 | 110.5 | K208 F212 | K208-F210 PolarHBondContact O-N 3.32Å; F210-F212 HydrophobicContact CB-CE2 4.36Å; F210-F212 PolarHBondContact O-N 3.27Å |
| 211 | L | 39.1 | Very low | 39.4 | Very low | 177 Ų | 177 | 141.9 Ų | 141.9 | 93% | 0.927 | 79% | 0.789 | S | S | * | * | | | trans | -54.9 | 82.7 | 169.2 | -83.6 | 118 | 0 | 0 | 0 | 109.5 | P209 | P209-L211 PolarHBondContact O-N 3.25Š|
| 212 | F | 38.6 | Very low | 39.5 | Very low | 173 Ų | 173 | 145.4 Ų | 145.4 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | | | trans | -75 | 122.9 | 149.9 | -71.3 | -75.1 | 0 | 0 | 0 | 105.2 | F210 N214 | F210-F212 HydrophobicContact CB-CE2 4.36Å; F210-F212 PolarHBondContact O-N 3.27Å; F212-N214 PolarHBondContact O-N 3.45Å |
| 213 | P | 42.7 | Very low | 40 | Very low | 98 Ų | 98 | 147.4 Ų | 147.4 | 64% | 0.636 | 79% | 0.794 | S | S | * | * | | | trans | -54.7 | 118.9 | 172 | 22.7 | -30.5 | 0 | 0 | 0 | 106.2 | F215 | P213-F215 PolarHBondContact O-N 2.82Š|
| 214 | N | 41.9 | Very low | 40.8 | Very low | 153 Ų | 153 | 151.2 Ų | 151.2 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | | | trans | -53.7 | 98.1 | 168.2 | -82.6 | -27.9 | 0 | 0 | 0 | 106.1 | F212 T216 | F212-N214 PolarHBondContact O-N 3.45Å; N214-T216 PolarHBondContact O-N 3.12Å |
| 215 | F | 42 | Very low | 41.4 | Very low | 190 Ų | 190 | 147.3 Ų | 147.3 | 83% | 0.833 | 79% | 0.787 | S | S | * | * | | | trans | -63.5 | 86.3 | 157.6 | -86.3 | -87 | 0 | 0 | 0 | 104.3 | P213 P217 | P213-F215 PolarHBondContact O-N 2.82Å; F215-P217 WeakPolarHBondContact O-CD 3.43Å; F215-P217 VanDerWaalsContact O-N 3.09Å |
| 216 | T | 39.9 | Very low | 42.3 | Very low | 104 Ų | 104 | 151.7 Ų | 151.7 | 64% | 0.638 | 78% | 0.781 | S | S | * | * | | | trans | -57.6 | 114 | 158 | 41 | 0 | 0 | 0 | 0 | 104 | N214 I218 | N214-T216 PolarHBondContact O-N 3.12Å; T216-I218 VanDerWaalsContact C-N 3.34Å; T216-I218 PolarHBondContact O-N 2.88Å |
| 217 | P | 43.8 | Very low | 42.7 | Very low | 119 Ų | 119 | 153.3 Ų | 153.3 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | | | trans | -58 | 111.6 | 171.9 | 24 | -30.3 | 0 | 0 | 0 | 104.4 | F215 G219 | F215-P217 WeakPolarHBondContact O-CD 3.43Å; F215-P217 VanDerWaalsContact O-N 3.09Å; P217-G219 PolarHBondContact O-N 3.05Å |
| 218 | I | 46.5 | Very low | 43.1 | Very low | 150 Ų | 150 | 148.1 Ų | 148.1 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | | | trans | -59.3 | 98.2 | 171.4 | -67.3 | 169.1 | 0 | 0 | 0 | 103 | T216 V220 | T216-I218 VanDerWaalsContact C-N 3.34Å; T216-I218 PolarHBondContact O-N 2.88Å; I218-V220 HydrophobicContact CG2-CG2 4.47Å; I218-V220 PolarHBondContact O-N 3.12Å |
| 219 | G | 41 | Very low | 43.5 | Very low | 64 Ų | 64 | 149.9 Ų | 149.9 | 66% | 0.66 | 78% | 0.781 | S | S | * | * | | | trans | -63 | 90.5 | 177 | 0 | 0 | 0 | 0 | 0 | 106 | P217 K221 | P217-G219 PolarHBondContact O-N 3.05Å; G219-K221 PolarHBondContact O-N 3.38Å |
| 220 | V | 44.2 | Very low | 43.7 | Very low | 119 Ų | 119 | 148.9 Ų | 148.9 | 72% | 0.721 | 78% | 0.782 | S | S | * | * | | | trans | -65.4 | 92.4 | 168.3 | -176.5 | 0 | 0 | 0 | 0 | 104.1 | I218 M222 | I218-V220 HydrophobicContact CG2-CG2 4.47Å; I218-V220 PolarHBondContact O-N 3.12Å; V220-M222 PolarHBondContact O-N 2.78Å |
| 221 | K | 48.7 | Very low | 44.2 | Very low | 196 Ų | 196 | 147.5 Ų | 147.5 | 85% | 0.852 | 78% | 0.782 | S | S | * | * | | | trans | -61.9 | 93.4 | 168 | -74.3 | -173 | 176.5 | -176.5 | 0 | 105.9 | G219 K223 | G219-K221 PolarHBondContact O-N 3.38Å; K221-K223 VanDerWaalsContact C-N 3.35Å; K221-K223 PolarHBondContact O-N 3.35Å |
| 222 | M | 43.2 | Very low | 44.4 | Very low | 166 Ų | 166 | 144.7 Ų | 144.7 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | trans | -60.5 | 103.1 | 167.8 | -75 | -176.6 | 71.9 | 0 | 0 | 106.3 | V220 I224 | V220-M222 PolarHBondContact O-N 2.78Å; M222-I224 PolarHBondContact O-N 2.99Å |
| 223 | K | 44.7 | Very low | 44.7 | Very low | 190 Ų | 190 | 141.2 Ų | 141.2 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | | | trans | -64.2 | 106.8 | 165.5 | -76.3 | -173.2 | 177.2 | -176.3 | 0 | 105.5 | K221 V225 | K221-K223 VanDerWaalsContact C-N 3.35Å; K221-K223 PolarHBondContact O-N 3.35Å; K223-V225 PolarHBondContact O-N 3Å |
| 224 | I | 47.3 | Very low | 44.8 | Very low | 157 Ų | 157 | 143.2 Ų | 143.2 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | | | trans | -64.3 | 93.6 | 166.8 | -59.9 | 168 | 0 | 0 | 0 | 105.1 | M222 K226 | M222-I224 PolarHBondContact O-N 2.99Å; I224-K226 PolarHBondContact O-N 3.21Å |
| 225 | V | 46.3 | Very low | 44.8 | Very low | 121 Ų | 121 | 140.9 Ų | 140.9 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | | | trans | -66.3 | 106.6 | 171.9 | 177.9 | 0 | 0 | 0 | 0 | 105 | K223 | K223-V225 PolarHBondContact O-N 3Š|
| 226 | K | 48.3 | Very low | 44.8 | Very low | 178 Ų | 178 | 137.5 Ų | 137.5 | 77% | 0.774 | 78% | 0.779 | S | S | * | * | | | trans | -56.5 | 125.5 | 170.9 | -69.2 | -177.2 | 178.9 | -178.5 | 0 | 106.4 | I224 T228 | I224-K226 PolarHBondContact O-N 3.21Å; K226-T228 PolarHBondContact O-N 2.82Å |
| 227 | P | 45.8 | Very low | 45 | Very low | 118 Ų | 118 | 138.1 Ų | 138.1 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | | | trans | -59.8 | 110.2 | 175.9 | 23.8 | -31.2 | 0 | 0 | 0 | 107 | R229 | P227-R229 PolarHBondContact O-N 2.73Å; P227-R229 VanDerWaalsContact O-N 3.09Å |
| 228 | T | 44.3 | Very low | 45 | Very low | 130 Ų | 130 | 139.3 Ų | 139.3 | 80% | 0.798 | 78% | 0.782 | S | S | * | * | | | trans | -54.6 | 119.7 | 166.5 | -42 | 0 | 0 | 0 | 0 | 105.1 | K226 A230 | K226-T228 PolarHBondContact O-N 2.82Å; T228-A230 PolarHBondContact O-N 2.74Å |
| 229 | R | 43.7 | Very low | 44.8 | Very low | 242 Ų | 242 | 139.7 Ų | 139.7 | 91% | 0.913 | 79% | 0.786 | S | S | * | * | | | trans | -56.8 | 90.4 | 176.3 | -79.1 | 179.5 | 170.8 | 178.9 | -4 | 107.6 | P227 L231 | P227-R229 PolarHBondContact O-N 2.73Å; P227-R229 VanDerWaalsContact O-N 3.09Å; R229-L231 PolarHBondContact O-N 2.71Å |
| 230 | A | 49 | Very low | 45 | Very low | 95 Ų | 95 | 145.6 Ų | 145.6 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 124.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 105.8 | T228 | T228-A230 PolarHBondContact O-N 2.74Š|
| 231 | L | 46.8 | Very low | 44.9 | Very low | 158 Ų | 158 | 144.6 Ų | 144.6 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 154.6 | 179.1 | -74 | 162.5 | 0 | 0 | 0 | 111.2 | R229 | R229-L231 PolarHBondContact O-N 2.71Š|
| 232 | P | 44.1 | Very low | 44.6 | Very low | 118 Ų | 118 | 138 Ų | 138 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -62 | 139.4 | -169.2 | 16.2 | -20.5 | 0 | 0 | 0 | 112.3 | T234 | P232-T234 PolarHBondContact O-N 3.28Š|
| 233 | A | 44.1 | Very low | 44.6 | Very low | 100 Ų | 100 | 139.5 Ų | 139.5 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | | | trans | -40.2 | 116 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 234 | T | 44.9 | Very low | 44.7 | Very low | 140 Ų | 140 | 134.9 Ų | 134.9 | 86% | 0.859 | 78% | 0.78 | S | S | * | * | | | trans | -83.3 | 120.4 | 154.3 | 51.3 | 0 | 0 | 0 | 0 | 108.5 | P232 T236 | P232-T234 PolarHBondContact O-N 3.28Å; T234-T236 PolarHBondContact O-N 3.39Å |
| 235 | S | 42 | Very low | 44.7 | Very low | 104 Ų | 104 | 137.3 Ų | 137.3 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -44 | 122.5 | 176.4 | 51.5 | 0 | 0 | 0 | 0 | 114.5 | | |
| 236 | T | 41.7 | Very low | 44.5 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 73% | 0.73 | 78% | 0.776 | S | S | * | * | | | | -175.8 | 117.5 | 113.7 | 28 | 0 | 0 | 0 | 0 | 106.7 | T234 M238 | T234-T236 PolarHBondContact O-N 3.39Å; T236-M238 PolarHBondContact O-N 3.23Å |
| 237 | P | 45.7 | Very low | 44.7 | Very low | 117 Ų | 117 | 131.8 Ų | 131.8 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | | | trans | -65.8 | 102.4 | 167.2 | 27.2 | -28.7 | 0 | 0 | 0 | 106.3 | D239 | P237-D239 PolarHBondContact O-N 2.87Å; P237-D239 VanDerWaalsContact O-N 3.14Å |
| 238 | M | 42.4 | Very low | 44.8 | Very low | 144 Ų | 144 | 130.5 Ų | 130.5 | 71% | 0.709 | 77% | 0.773 | S | S | * | * | | | trans | -62.8 | 118.1 | 160.3 | -86.8 | -164.2 | -66.5 | 0 | 0 | 106 | T236 Y240 | T236-M238 PolarHBondContact O-N 3.23Å; M238-Y240 HydrophobicContact CB-CD2 3.98Å; M238-Y240 HydrophobicContact CB-CE2 4.43Å; M238-Y240 HydrophobicContact CE-CD2 4.22Å; M238-Y240 HydrophobicContact CE-CE2 3.69Å; M238-Y240 PolarHBondContact O-N 2.81Å; M238-Y240 HydrophobicContact SD-CD2 4.45Å; M238-Y240 HydrophobicContact SD-CE2 3.97Å |
| 239 | D | 43 | Very low | 45.3 | Very low | 158 Ų | 158 | 134.6 Ų | 134.6 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | | | trans | -60.4 | 71.9 | 164.3 | -71.8 | -41.2 | 0 | 0 | 0 | 108.8 | P237 A241 | P237-D239 PolarHBondContact O-N 2.87Å; P237-D239 VanDerWaalsContact O-N 3.14Å; D239-A241 PolarHBondContact O-N 2.89Å |
| 240 | Y | 44.7 | Very low | 45.5 | Very low | 188 Ų | 188 | 128.1 Ų | 128.1 | 74% | 0.737 | 77% | 0.767 | S | S | * | * | | | trans | -68.9 | 95.4 | 160.7 | -101.1 | -90.6 | 0 | 0 | 0 | 105.1 | M238 G242 | M238-Y240 HydrophobicContact CB-CD2 3.98Å; M238-Y240 HydrophobicContact CB-CE2 4.43Å; M238-Y240 HydrophobicContact CE-CD2 4.22Å; M238-Y240 HydrophobicContact CE-CE2 3.69Å; M238-Y240 PolarHBondContact O-N 2.81Å; M238-Y240 HydrophobicContact SD-CD2 4.45Å; M238-Y240 HydrophobicContact SD-CE2 3.97Å; Y240-G242 PolarHBondContact O-N 2.92Å |
| 241 | A | 41.9 | Very low | 45.4 | Very low | 98 Ų | 98 | 127 Ų | 127 | 81% | 0.81 | 76% | 0.758 | S | S | * | * | | | trans | -60.8 | 53.5 | 153.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | D239 K243 | D239-A241 PolarHBondContact O-N 2.89Å; A241-K243 VanDerWaalsContact C-N 3.33Å; A241-K243 PolarHBondContact O-N 3.04Å |
| 242 | G | 42.5 | Very low | 45.6 | Very low | 56 Ų | 56 | 125.1 Ų | 125.1 | 58% | 0.577 | 76% | 0.755 | S | S | * | * | | | trans | -66.4 | 101.7 | 164.9 | 0 | 0 | 0 | 0 | 0 | 104.9 | Y240 A244 | Y240-G242 PolarHBondContact O-N 2.92Å; G242-A244 VanDerWaalsContact C-N 3.32Å; G242-A244 PolarHBondContact O-N 2.8Å |
| 243 | K | 43.7 | Very low | 46 | Very low | 199 Ų | 199 | 130.7 Ų | 130.7 | 87% | 0.865 | 76% | 0.761 | S | S | * | * | | | trans | -40.8 | 100.2 | 174.3 | -67.9 | -162.4 | 177.6 | -173.1 | 0 | 108.5 | A241 K245 | A241-K243 VanDerWaalsContact C-N 3.33Å; A241-K243 PolarHBondContact O-N 3.04Å; K243-K245 PolarHBondContact O-N 2.8Å |
| 244 | A | 47.1 | Very low | 46.6 | Very low | 93 Ų | 93 | 135.9 Ų | 135.9 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | | | trans | -58.2 | 111 | 172.4 | 0 | 0 | 0 | 0 | 0 | 104.4 | G242 G246 | G242-A244 VanDerWaalsContact C-N 3.32Å; G242-A244 PolarHBondContact O-N 2.8Å; A244-G246 VanDerWaalsContact C-N 3.29Å; A244-G246 PolarHBondContact O-N 3.5Å |
| 245 | K | 47.8 | Very low | 47.2 | Very low | 208 Ų | 208 | 140.7 Ų | 140.7 | 90% | 0.904 | 76% | 0.763 | S | S | * | * | | | trans | -51.2 | 107.9 | 166.1 | -75.7 | -177.5 | 175.9 | 179.2 | 0 | 104.2 | K243 | K243-K245 PolarHBondContact O-N 2.8Š|
| 246 | G | 41.8 | Very low | 48.3 | Very low | 54 Ų | 54 | 139.8 Ų | 139.8 | 56% | 0.557 | 75% | 0.747 | S | S | * | * | | | trans | -51.2 | 151.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | A244 S248 | A244-G246 VanDerWaalsContact C-N 3.29Å; A244-G246 PolarHBondContact O-N 3.5Å; G246-S248 PolarHBondContact O-N 3.37Å |
| 247 | P | 51.7 | Low | 49.5 | Very low | 128 Ų | 128 | 139.4 Ų | 139.4 | 83% | 0.831 | 74% | 0.741 | S | S | * | * | | | trans | -48 | 121.4 | -179.7 | 21.7 | -32.9 | 0 | 0 | 0 | 108.1 | K249 | P247-K249 PolarHBondContact O-N 3.2Å; P247-K249 VanDerWaalsContact O-N 3.12Å |
| 248 | S | 48.3 | Very low | 50.6 | Low | 91 Ų | 91 | 142.4 Ų | 142.4 | 64% | 0.636 | 74% | 0.742 | S | S | * | * | | | trans | -42.7 | 124.1 | 175 | 168.3 | 0 | 0 | 0 | 0 | 108.3 | G246 V250 | G246-S248 PolarHBondContact O-N 3.37Å; S248-V250 PolarHBondContact O-N 3.26Å; S248-V250 WeakPolarHBondContact OG-CG2 3.49Å; S248-V250 PolarHBondContact OG-N 3.38Å |
| 249 | K | 54.3 | Low | 52 | Low | 216 Ų | 216 | 137.4 Ų | 137.4 | 94% | 0.939 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -59.7 | 0.2 | 178.6 | -70.5 | -173.6 | 178.3 | -178 | 0 | 113.5 | P247 A251 | P247-K249 PolarHBondContact O-N 3.2Å; P247-K249 VanDerWaalsContact O-N 3.12Å; K249-A251 PolarHBondContact O-N 3.32Å |
| 250 | V | 47.6 | Very low | 53.1 | Low | 107 Ų | 107 | 131.9 Ų | 131.9 | 65% | 0.648 | 70% | 0.697 | S | S | * | * | | | trans | -75.4 | 84.6 | 168.9 | -171 | 0 | 0 | 0 | 0 | 107.2 | S248 | S248-V250 PolarHBondContact O-N 3.26Å; S248-V250 WeakPolarHBondContact OG-CG2 3.49Å; S248-V250 PolarHBondContact OG-N 3.38Å |
| 251 | A | 48.5 | Very low | 54.2 | Low | 71 Ų | 71 | 126.6 Ų | 126.6 | 59% | 0.587 | 68% | 0.681 | S | S | * | * | | | trans | -44.1 | 128.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | K249 R253 | K249-A251 PolarHBondContact O-N 3.32Å; A251-R253 PolarHBondContact O-N 3.48Å |
| 252 | P | 49.2 | Very low | 55.6 | Low | 119 Ų | 119 | 127.6 Ų | 127.6 | 77% | 0.773 | 67% | 0.672 | S | S | * | * | | | trans | -52.1 | 115.3 | 175.4 | 19.9 | -29.8 | 0 | 0 | 0 | 106.2 | Y254 | P252-Y254 PolarHBondContact O-N 3.32Š|
| 253 | R | 53.2 | Low | 56.9 | Low | 235 Ų | 235 | 133.5 Ų | 133.5 | 89% | 0.887 | 68% | 0.677 | S | S | * | * | | | trans | -64.5 | 89.6 | 175.1 | -74.1 | -172.1 | 177.2 | -174.8 | 0.1 | 105.4 | A251 R255 | A251-R253 PolarHBondContact O-N 3.48Å; R253-R255 PolarHBondContact O-N 2.78Å |
| 254 | Y | 56.7 | Low | 58 | Low | 209 Ų | 209 | 129.7 Ų | 129.7 | 82% | 0.82 | 66% | 0.661 | S | S | * | * | | | trans | -57.1 | 108.6 | 177.5 | -155.4 | -94.4 | 0 | 0 | 0 | 105 | P252 E256 | P252-Y254 PolarHBondContact O-N 3.32Å; Y254-E256 HydrophobicContact CD1-CG 4.31Å; Y254-E256 PolarHBondContact O-N 2.73Å |
| 255 | R | 58.7 | Low | 58.9 | Low | 241 Ų | 241 | 131.8 Ų | 131.8 | 91% | 0.909 | 65% | 0.652 | S | S | * | * | | | trans | -73.9 | 80.7 | -179.1 | -168.3 | 178.2 | -172.9 | 171.9 | 1 | 105.2 | R253 N257 | R253-R255 PolarHBondContact O-N 2.78Å; R255-N257 PolarHBondContact O-N 2.98Å |
| 256 | E | 63.8 | Low | 59.5 | Low | 85 Ų | 85 | 124.8 Ų | 124.8 | 40% | 0.397 | 63% | 0.633 | S | S | . | * | | | trans | -52.7 | 120.6 | 177 | -86.6 | -165.4 | 147.1 | 0 | 0 | 107.6 | Y254 K258 L261 K264 | Y254-E256 HydrophobicContact CD1-CG 4.31Å; Y254-E256 PolarHBondContact O-N 2.73Å; E256-K258 PolarHBondContact O-N 2.92Å; E256-L261 WeakPolarHBondContact OE2-CD1 3.49Å; E256-K264 IonicContact OE1-NZ 2.77Å; E256-K264 PolarHBondContact OE1-NZ 2.95Å |
| 257 | N | 68.1 | Low | 60.3 | Low | 111 Ų | 111 | 127.2 Ų | 127.2 | 59% | 0.594 | 63% | 0.633 | S | S | * | * | | | trans | -56.8 | 127.4 | 173.7 | -176.3 | -18.2 | 0 | 0 | 0 | 107.8 | R255 A259 S260 L261 | R255-N257 PolarHBondContact O-N 2.98Å; N257-A259 PolarHBondContact O-N 3.43Å; N257-A259 PolarHBondContact OD1-N 3.29Å; N257-A259 VanDerWaalsContact OD1-N 3.15Å; N257-S260 WeakPolarHBondContact O-CA 3.45Å; N257-S260 VanDerWaalsContact O-CB 3.32Å; N257-S260 WeakPolarHBondContact O-CB 3.15Å; N257-S260 PolarHBondContact O-N 3.37Å; N257-L261 PolarHBondContact O-N 3Å |
| 258 | K | 68.2 | Low | 60.5 | Low | 179 Ų | 179 | 129.1 Ų | 129.1 | 78% | 0.778 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -50.4 | -32 | 179.7 | -76.2 | -178 | 176.7 | 178.8 | 0 | 112.2 | E256 L261 L262 | E256-K258 PolarHBondContact O-N 2.92Å; K258-L261 PolarHBondContact O-N 2.84Å; K258-L262 WeakPolarHBondContact O-CG 3.39Å; K258-L262 PolarHBondContact O-N 3.49Å; K258-L262 VanDerWaalsContact O-N 3.13Å |
| 259 | A | 70.4 | Confident | 60.8 | Low | 39 Ų | 39 | 132.1 Ų | 132.1 | 32% | 0.322 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -64.7 | -35.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | N257 R263 | N257-A259 PolarHBondContact O-N 3.43Å; N257-A259 PolarHBondContact OD1-N 3.29Å; N257-A259 VanDerWaalsContact OD1-N 3.15Å; A259-R263 WeakPolarHBondContact O-CG 3.38Å; A259-R263 PolarHBondContact O-N 3.05Å; A259-R263 VanDerWaalsContact O-N 3.16Å |
| 260 | S | 67.9 | Low | 60.7 | Low | 43 Ų | 43 | 128.7 Ų | 128.7 | 30% | 0.301 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -66.6 | -43.7 | 174.9 | 175 | 0 | 0 | 0 | 0 | 111.1 | N257 L262 R263 K264 | N257-S260 WeakPolarHBondContact O-CA 3.45Å; N257-S260 VanDerWaalsContact O-CB 3.32Å; N257-S260 WeakPolarHBondContact O-CB 3.15Å; N257-S260 PolarHBondContact O-N 3.37Å; S260-L262 VanDerWaalsContact C-N 3.32Å; S260-L262 PolarHBondContact O-N 2.89Å; S260-R263 PolarHBondContact O-N 3.12Å; S260-K264 PolarHBondContact O-N 3.14Å |
| 261 | L | 67.1 | Low | 61 | Low | 77 Ų | 77 | 127.7 Ų | 127.7 | 40% | 0.403 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -61.4 | -40.2 | 178.1 | -161.4 | 84.1 | 0 | 0 | 0 | 112 | E256 N257 K258 K264 K265 | E256-L261 WeakPolarHBondContact OE2-CD1 3.49Å; N257-L261 PolarHBondContact O-N 3Å; K258-L261 PolarHBondContact O-N 2.84Å; L261-K264 PolarHBondContact O-N 2.71Å; L261-K265 PolarHBondContact O-N 2.68Å |
| 262 | L | 70.1 | Confident | 61.1 | Low | 118 Ų | 118 | 132.9 Ų | 132.9 | 62% | 0.618 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66.2 | -40.7 | 176.4 | -70.7 | 173.9 | 0 | 0 | 0 | 112.2 | K258 S260 K265 A266 | K258-L262 WeakPolarHBondContact O-CG 3.39Å; K258-L262 PolarHBondContact O-N 3.49Å; K258-L262 VanDerWaalsContact O-N 3.13Å; S260-L262 VanDerWaalsContact C-N 3.32Å; S260-L262 PolarHBondContact O-N 2.89Å; L262-K265 PolarHBondContact O-N 3.14Å; L262-A266 WeakPolarHBondContact O-CB 3.49Å; L262-A266 PolarHBondContact O-N 3.5Å |
| 263 | R | 70.7 | Confident | 61.2 | Low | 181 Ų | 181 | 132 Ų | 132 | 68% | 0.683 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -61.5 | -43.4 | 174.6 | -75.7 | -173.4 | -103.1 | -152.4 | -0.3 | 112.1 | A259 S260 K265 A266 N267 | A259-R263 WeakPolarHBondContact O-CG 3.38Å; A259-R263 PolarHBondContact O-N 3.05Å; A259-R263 VanDerWaalsContact O-N 3.16Å; S260-R263 PolarHBondContact O-N 3.12Å; R263-K265 PolarHBondContact O-N 3.16Å; R263-A266 PolarHBondContact O-N 2.91Å; R263-N267 PolarHBondContact O-N 3.09Å; R263-N267 VanDerWaalsContact O-N 3.1Å |
| 264 | K | 66.5 | Low | 60.9 | Low | 119 Ų | 119 | 125.6 Ų | 125.6 | 52% | 0.517 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -62 | -41.3 | 174.5 | -72.7 | -179.5 | -178 | 174.5 | 0 | 112.1 | E256 S260 L261 N267 K268 | E256-K264 IonicContact OE1-NZ 2.77Å; E256-K264 PolarHBondContact OE1-NZ 2.95Å; S260-K264 PolarHBondContact O-N 3.14Å; L261-K264 PolarHBondContact O-N 2.71Å; K264-N267 PolarHBondContact O-N 2.7Å; K264-K268 PolarHBondContact O-N 3.05Å |
| 265 | K | 66.5 | Low | 60.3 | Low | 136 Ų | 136 | 126.1 Ų | 126.1 | 59% | 0.591 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.9 | -41.5 | 176.3 | -79 | -172.2 | 177.6 | -174.3 | 0 | 112.6 | L261 L262 R263 N267 K268 | L261-K265 PolarHBondContact O-N 2.68Å; L262-K265 PolarHBondContact O-N 3.14Å; R263-K265 PolarHBondContact O-N 3.16Å; K265-N267 VanDerWaalsContact C-N 3.33Å; K265-N267 PolarHBondContact O-N 3.03Å; K265-K268 PolarHBondContact O-N 2.99Å |
| 266 | A | 61.2 | Low | 59.6 | Low | 61 Ų | 61 | 125.6 Ų | 125.6 | 50% | 0.504 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -62.3 | -40.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L262 R263 K268 H269 | L262-A266 WeakPolarHBondContact O-CB 3.49Å; L262-A266 PolarHBondContact O-N 3.5Å; R263-A266 PolarHBondContact O-N 2.91Å; A266-K268 PolarHBondContact O-N 2.89Å; A266-H269 PolarHBondContact O-N 3.3Å |
| 267 | N | 57.3 | Low | 58.7 | Low | 105 Ų | 105 | 132.8 Ų | 132.8 | 56% | 0.561 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -69.2 | -31 | 178.1 | -97 | -8.9 | 0 | 0 | 0 | 113.8 | R263 K264 K265 H269 K270 V271 | R263-N267 PolarHBondContact O-N 3.09Å; R263-N267 VanDerWaalsContact O-N 3.1Å; K264-N267 PolarHBondContact O-N 2.7Å; K265-N267 VanDerWaalsContact C-N 3.33Å; K265-N267 PolarHBondContact O-N 3.03Å; N267-H269 PolarHBondContact O-N 3.29Å; N267-K270 PolarHBondContact O-N 3.5Å; N267-K270 VanDerWaalsContact O-N 3.11Å; N267-V271 PolarHBondContact O-N 2.77Å |
| 268 | K | 56.2 | Low | 57.5 | Low | 168 Ų | 168 | 140.9 Ų | 140.9 | 73% | 0.73 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -59 | -32.4 | 175.2 | -87.6 | -172.2 | 174.9 | -175.5 | 0 | 113 | K264 K265 A266 | K264-K268 PolarHBondContact O-N 3.05Å; K265-K268 PolarHBondContact O-N 2.99Å; A266-K268 PolarHBondContact O-N 2.89Å |
| 269 | H | 54.9 | Low | 57 | Low | 154 Ų | 154 | 139 Ų | 139 | 71% | 0.713 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -72.5 | -35.3 | 176.3 | -82.5 | -71.8 | 0 | 0 | 0 | 112.8 | A266 N267 | A266-H269 PolarHBondContact O-N 3.3Å; N267-H269 PolarHBondContact O-N 3.29Å |
| 270 | K | 52.5 | Low | 56.3 | Low | 144 Ų | 144 | 144.3 Ų | 144.3 | 63% | 0.626 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -68.2 | -36.3 | 177 | -75.6 | -169.8 | 176.7 | -175.7 | 0 | 112.9 | N267 K272 T273 | N267-K270 PolarHBondContact O-N 3.5Å; N267-K270 VanDerWaalsContact O-N 3.11Å; K270-K272 VanDerWaalsContact C-N 3.31Å; K270-K272 PolarHBondContact O-N 2.82Å; K270-T273 PolarHBondContact O-N 3.3Å; K270-T273 PolarHBondContact O-OG1 2.88Å |
| 271 | V | 52.9 | Low | 55.6 | Low | 87 Ų | 87 | 149.9 Ų | 149.9 | 53% | 0.527 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -64.7 | -35.7 | -179.1 | -179.8 | 0 | 0 | 0 | 0 | 111.5 | N267 T273 C274 W275 | N267-V271 PolarHBondContact O-N 2.77Å; V271-T273 VanDerWaalsContact C-N 3.31Å; V271-T273 PolarHBondContact O-N 3.03Å; V271-C274 PolarHBondContact O-N 3.17Å; V271-W275 VanDerWaalsContact O-CD1 3.3Å |
| 272 | K | 50.8 | Low | 55 | Low | 180 Ų | 180 | 154.2 Ų | 154.2 | 78% | 0.783 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -69 | -24.9 | 178.7 | -86.9 | -169.9 | 174 | -173.8 | 0 | 114.2 | K270 | K270-K272 VanDerWaalsContact C-N 3.31Å; K270-K272 PolarHBondContact O-N 2.82Å |
| 273 | T | 52 | Low | 54 | Low | 101 Ų | 101 | 156.4 Ų | 156.4 | 62% | 0.62 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -84.2 | -20.1 | -179.9 | 45.8 | 0 | 0 | 0 | 0 | 113.8 | K270 V271 W275 | K270-T273 PolarHBondContact O-N 3.3Å; K270-T273 PolarHBondContact O-OG1 2.88Å; V271-T273 VanDerWaalsContact C-N 3.31Å; V271-T273 PolarHBondContact O-N 3.03Å; T273-W275 VanDerWaalsContact C-N 3.33Å; T273-W275 PolarHBondContact O-N 3.2Å |
| 274 | C | 46 | Very low | 52.9 | Low | 99 Ų | 99 | 154.8 Ų | 154.8 | 67% | 0.669 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -74.6 | -20.1 | -179.9 | -69.7 | 0 | 0 | 0 | 0 | 113.9 | V271 | V271-C274 PolarHBondContact O-N 3.17Å |
| 275 | W | 44 | Very low | 51.9 | Low | 220 Ų | 220 | 157.4 Ų | 157.4 | 83% | 0.833 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | 0.4 | -179.6 | -67.7 | 92.5 | 0 | 0 | 0 | 114.6 | V271 T273 | V271-W275 VanDerWaalsContact O-CD1 3.3Å; T273-W275 VanDerWaalsContact C-N 3.33Å; T273-W275 PolarHBondContact O-N 3.2Å |
| 276 | R | 45.1 | Very low | 50.8 | Low | 231 Ų | 231 | 159 Ų | 159 | 87% | 0.872 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | 17.5 | 177.5 | -87.4 | -165.6 | 175.7 | -158.2 | -0.7 | 114.7 | | |
| 277 | R | 45 | Very low | 50 | Low | 235 Ų | 235 | 167.2 Ų | 167.2 | 89% | 0.887 | 75% | 0.754 | S | S | * | * | | | trans | -130.9 | 78.1 | 170 | -69.6 | -173.2 | -173.6 | 170.2 | 1 | 110.1 | | |
| 278 | K | 42.7 | Very low | 49.3 | Very low | 282 Ų | 282 | 172.8 Ų | 172.8 | 100% | 1.226 | 77% | 0.771 | S | S | * | * | | | trans | -147.3 | 0 | 153.4 | -87 | -164.7 | 177 | -178.2 | 0 | 107.9 | | |