| 1 | M | 44.5 | Very low | 41.6 | Very low | 243 Ų | 243 | 155.8 Ų | 155.8 | 100% | 1.197 | 85% | 0.846 | S | S | * | * | | | | 0 | 128.7 | 0 | -74.7 | 159.9 | 166.1 | 0 | 0 | 107.2 | | |
| 2 | K | 43.5 | Very low | 41.8 | Very low | 214 Ų | 214 | 155.6 Ų | 155.6 | 93% | 0.93 | 84% | 0.843 | S | S | * | * | | | trans | -89.8 | 119.1 | -175.1 | -75.5 | -179.9 | 177.2 | -179.4 | 0 | 109.1 | | |
| 3 | E | 40.6 | Very low | 41.7 | Very low | 195 Ų | 195 | 152.5 Ų | 152.5 | 91% | 0.911 | 84% | 0.84 | S | S | * | * | | | trans | -118.4 | 100 | 160.4 | -67.5 | -176.7 | -165.8 | 0 | 0 | 106.4 | | |
| 4 | S | 44.1 | Very low | 41.9 | Very low | 117 Ų | 117 | 156.3 Ų | 156.3 | 82% | 0.818 | 84% | 0.835 | S | S | * | * | | | trans | -141.3 | 110.8 | 168.2 | -163.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 5 | A | 46.4 | Very low | 41.9 | Very low | 90 Ų | 90 | 153.3 Ų | 153.3 | 74% | 0.744 | 83% | 0.825 | S | S | * | * | | | trans | 54.5 | 79.1 | 156.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | S7 | A5-S7 PolarHBondContact O-N 2.76Š|
| 6 | H | 34.7 | Very low | 41.8 | Very low | 202 Ų | 202 | 153.8 Ų | 153.8 | 94% | 0.935 | 83% | 0.827 | S | S | * | * | | | trans | -63.2 | 105.6 | 131.7 | -78.5 | 39.9 | 0 | 0 | 0 | 107.7 | | |
| 7 | S | 41 | Very low | 41.6 | Very low | 87 Ų | 87 | 155.3 Ų | 155.3 | 61% | 0.608 | 82% | 0.82 | S | S | * | * | | | trans | -174.4 | 109.5 | 147.4 | -179.9 | 0 | 0 | 0 | 0 | 111 | A5 | A5-S7 PolarHBondContact O-N 2.76Š|
| 8 | K | 42.3 | Very low | 41.7 | Very low | 180 Ų | 180 | 152.4 Ų | 152.4 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | | | trans | 60.7 | 99.7 | 139 | -56.9 | 176.9 | -168.8 | -174 | 0 | 115.8 | | |
| 9 | D | 43.6 | Very low | 41.6 | Very low | 162 Ų | 162 | 151.7 Ų | 151.7 | 87% | 0.866 | 81% | 0.806 | S | S | * | * | | | trans | -162.7 | 71.7 | 130.2 | -86 | -28.1 | 0 | 0 | 0 | 109.4 | | |
| 10 | S | 35 | Very low | 41.6 | Very low | 123 Ų | 123 | 155.3 Ų | 155.3 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | | | trans | -96 | 102.7 | 150.3 | -79 | 0 | 0 | 0 | 0 | 106.3 | | |
| 11 | P | 42 | Very low | 41.8 | Very low | 101 Ų | 101 | 154.9 Ų | 154.9 | 66% | 0.656 | 81% | 0.805 | S | S | * | * | | | | -150.1 | 58.6 | 122 | 39.4 | -21.3 | 0 | 0 | 0 | 111.4 | S13 | P11-S13 PolarHBondContact O-N 2.95Å; P11-S13 VanDerWaalsContact O-N 3.12Å |
| 12 | L | 44.2 | Very low | 41.8 | Very low | 153 Ų | 153 | 148.7 Ų | 148.7 | 80% | 0.801 | 78% | 0.781 | S | S | * | * | | | trans | -84.4 | 61.7 | 149.1 | -68.3 | 178.4 | 0 | 0 | 0 | 108.5 | R14 | L12-R14 PolarHBondContact O-N 3.38Š|
| 13 | S | 40.4 | Very low | 41.9 | Very low | 115 Ų | 115 | 142 Ų | 142 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | | | trans | -63.4 | 70.3 | 147.7 | -179.9 | 0 | 0 | 0 | 0 | 107.2 | P11 | P11-S13 PolarHBondContact O-N 2.95Å; P11-S13 VanDerWaalsContact O-N 3.12Å |
| 14 | R | 44 | Very low | 41.9 | Very low | 206 Ų | 206 | 135.8 Ų | 135.8 | 78% | 0.777 | 75% | 0.754 | S | S | * | * | | | trans | -117.5 | 84.4 | 166.5 | -80.7 | -170.1 | 165.7 | -174.8 | -3.9 | 105.8 | L12 | L12-R14 PolarHBondContact O-N 3.38Š|
| 15 | T | 41.5 | Very low | 41.8 | Very low | 112 Ų | 112 | 136.2 Ų | 136.2 | 69% | 0.687 | 75% | 0.751 | S | S | * | * | | | trans | 50.1 | 114.3 | 141 | 18.7 | 0 | 0 | 0 | 0 | 114.4 | Y17 | T15-Y17 PolarHBondContact O-N 2.84Š|
| 16 | N | 40.6 | Very low | 41.6 | Very low | 161 Ų | 161 | 141.5 Ų | 141.5 | 86% | 0.861 | 76% | 0.758 | S | S | * | * | | | trans | -47.1 | 76.1 | 155.4 | -64.8 | -59.8 | 0 | 0 | 0 | 110.7 | S18 | N16-S18 PolarHBondContact O-N 2.59Š|
| 17 | Y | 38.1 | Very low | 42 | Very low | 179 Ų | 179 | 138 Ų | 138 | 70% | 0.702 | 75% | 0.75 | S | S | * | * | | | trans | -70.9 | 77.4 | 148.9 | -100.7 | -84.9 | 0 | 0 | 0 | 104.4 | T15 H19 | T15-Y17 PolarHBondContact O-N 2.84Å; Y17-H19 AromaticContact CD1-CE1 3.47Å; Y17-H19 VanDerWaalsContact CD1-CE1 3.47Å; Y17-H19 WeakPolarHBondContact CD1-CE1 3.26Å; Y17-H19 AromaticContact CD1-ND1 3.9Å; Y17-H19 PolarHBondContact O-N 2.97Å |
| 18 | S | 43.8 | Very low | 41.6 | Very low | 103 Ų | 103 | 136 Ų | 136 | 72% | 0.72 | 74% | 0.743 | S | S | * | * | | | trans | -59.4 | 81.2 | 149 | -71.8 | 0 | 0 | 0 | 0 | 105 | N16 R20 | N16-S18 PolarHBondContact O-N 2.59Å; S18-R20 PolarHBondContact O-N 2.66Å |
| 19 | H | 39.6 | Very low | 41.6 | Very low | 140 Ų | 140 | 132.7 Ų | 132.7 | 65% | 0.648 | 74% | 0.74 | S | S | * | * | | | trans | -56.7 | 98.1 | 153.6 | -63.3 | -65.2 | 0 | 0 | 0 | 103.2 | Y17 I21 | Y17-H19 AromaticContact CD1-CE1 3.47Å; Y17-H19 VanDerWaalsContact CD1-CE1 3.47Å; Y17-H19 WeakPolarHBondContact CD1-CE1 3.26Å; Y17-H19 AromaticContact CD1-ND1 3.9Å; Y17-H19 PolarHBondContact O-N 2.97Å; H19-I21 HydrophobicContact CB-CG1 4.43Å; H19-I21 PolarHBondContact O-N 2.69Å |
| 20 | R | 42.7 | Very low | 41.5 | Very low | 222 Ų | 222 | 134.4 Ų | 134.4 | 84% | 0.838 | 74% | 0.736 | S | S | * | * | | | trans | -63.6 | 90.9 | 162.4 | -152.8 | -179.4 | -161 | -168.4 | 5.2 | 102.7 | S18 T22 | S18-R20 PolarHBondContact O-N 2.66Å; R20-T22 PolarHBondContact O-N 2.73Å |
| 21 | I | 44.5 | Very low | 41.8 | Very low | 148 Ų | 148 | 135.9 Ų | 135.9 | 76% | 0.759 | 73% | 0.734 | S | S | * | * | | | trans | -65.6 | 76.4 | 164.3 | -51.7 | 170.6 | 0 | 0 | 0 | 102.9 | H19 A23 | H19-I21 HydrophobicContact CB-CG1 4.43Å; H19-I21 PolarHBondContact O-N 2.69Å; I21-A23 PolarHBondContact O-N 3.02Å |
| 22 | T | 45.9 | Very low | 41.8 | Very low | 113 Ų | 113 | 137.8 Ų | 137.8 | 69% | 0.693 | 74% | 0.739 | S | S | * | * | | | trans | -59.9 | 100.6 | 150.6 | -54.7 | 0 | 0 | 0 | 0 | 101 | R20 G24 | R20-T22 PolarHBondContact O-N 2.73Å; T22-G24 PolarHBondContact O-N 2.81Å |
| 23 | A | 45.6 | Very low | 41.2 | Very low | 72 Ų | 72 | 132.5 Ų | 132.5 | 60% | 0.595 | 72% | 0.721 | S | S | * | * | | | trans | -45.9 | 104.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 104.3 | I21 V25 | I21-A23 PolarHBondContact O-N 3.02Å; A23-V25 PolarHBondContact O-N 3.03Å |
| 24 | G | 39.5 | Very low | 41.2 | Very low | 66 Ų | 66 | 133.4 Ų | 133.4 | 68% | 0.68 | 72% | 0.724 | S | S | * | * | | | trans | -56.1 | 107.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 101.5 | T22 K26 | T22-G24 PolarHBondContact O-N 2.81Å; G24-K26 VanDerWaalsContact C-N 3.26Å; G24-K26 PolarHBondContact O-N 2.7Å |
| 25 | V | 42.3 | Very low | 41.2 | Very low | 125 Ų | 125 | 131.6 Ų | 131.6 | 76% | 0.758 | 72% | 0.722 | S | S | * | * | | | trans | -50.1 | 108.1 | 177.2 | 171.2 | 0 | 0 | 0 | 0 | 102.6 | A23 V27 | A23-V25 PolarHBondContact O-N 3.03Å; V25-V27 WeakPolarHBondContact O-CG2 3.26Å; V25-V27 PolarHBondContact O-N 3.01Å |
| 26 | K | 41.8 | Very low | 41 | Very low | 202 Ų | 202 | 136 Ų | 136 | 88% | 0.878 | 73% | 0.727 | S | S | * | * | | | trans | -64.3 | 98 | 177.8 | -146.4 | -177 | -170.4 | -174.4 | 0 | 101.3 | G24 G28 | G24-K26 VanDerWaalsContact C-N 3.26Å; G24-K26 PolarHBondContact O-N 2.7Å; K26-G28 PolarHBondContact O-N 2.69Å |
| 27 | V | 43.6 | Very low | 40.9 | Very low | 128 Ų | 128 | 137.2 Ų | 137.2 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | | | trans | -69.9 | 74.5 | 168.3 | -165 | 0 | 0 | 0 | 0 | 103.1 | V25 | V25-V27 WeakPolarHBondContact O-CG2 3.26Å; V25-V27 PolarHBondContact O-N 3.01Å |
| 28 | G | 32.7 | Very low | 41.2 | Very low | 44 Ų | 44 | 132.9 Ų | 132.9 | 45% | 0.454 | 73% | 0.729 | S | S | . | * | | | trans | -58.3 | 143 | 173.7 | 0 | 0 | 0 | 0 | 0 | 106.8 | K26 Y30 | K26-G28 PolarHBondContact O-N 2.69Å; G28-Y30 PolarHBondContact O-N 2.8Å |
| 29 | P | 41.9 | Very low | 41 | Very low | 112 Ų | 112 | 134.7 Ų | 134.7 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | | | trans | -59 | 117.8 | 177.3 | 26.5 | -32.5 | 0 | 0 | 0 | 107.4 | N31 | P29-N31 VanDerWaalsContact C-N 3.34Å; P29-N31 PolarHBondContact O-N 2.73Å |
| 30 | Y | 41.4 | Very low | 41 | Very low | 198 Ų | 198 | 137.7 Ų | 137.7 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | | | trans | 10.7 | 73.1 | 154 | -54 | -86.8 | 0 | 0 | 0 | 115.1 | G28 N32 | G28-Y30 PolarHBondContact O-N 2.8Å; Y30-N32 PolarHBondContact O-N 2.71Å |
| 31 | N | 41.7 | Very low | 41 | Very low | 153 Ų | 153 | 133 Ų | 133 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | | | trans | -78.9 | 87.6 | 152.5 | -88.8 | -16.4 | 0 | 0 | 0 | 105.3 | P29 G33 | P29-N31 VanDerWaalsContact C-N 3.34Å; P29-N31 PolarHBondContact O-N 2.73Å; N31-G33 PolarHBondContact O-N 2.74Å |
| 32 | N | 41.7 | Very low | 40.6 | Very low | 142 Ų | 142 | 134.2 Ų | 134.2 | 76% | 0.759 | 74% | 0.74 | S | S | * | * | | | trans | -57.4 | 65.8 | 159.1 | -69.5 | -34.6 | 0 | 0 | 0 | 108.9 | Y30 | Y30-N32 PolarHBondContact O-N 2.71Š|
| 33 | G | 32.4 | Very low | 40.2 | Very low | 41 Ų | 41 | 136.9 Ų | 136.9 | 42% | 0.423 | 75% | 0.745 | S | S | . | * | | | trans | -68.1 | 138 | 149 | 0 | 0 | 0 | 0 | 0 | 106.1 | N31 F35 | N31-G33 PolarHBondContact O-N 2.74Å; G33-F35 VanDerWaalsContact O-CD2 3.26Å; G33-F35 WeakPolarHBondContact O-CD2 3.43Å; G33-F35 PolarHBondContact O-N 2.76Å |
| 34 | P | 40.9 | Very low | 40 | Very low | 135 Ų | 135 | 139 Ų | 139 | 88% | 0.877 | 75% | 0.753 | S | S | * | * | | | trans | -63.1 | 91.9 | 177.2 | 27.3 | -32.6 | 0 | 0 | 0 | 107.5 | Y36 | P34-Y36 PolarHBondContact O-N 2.88Š|
| 35 | F | 42.4 | Very low | 40.3 | Very low | 168 Ų | 168 | 140.2 Ų | 140.2 | 74% | 0.737 | 76% | 0.756 | S | S | * | * | | | trans | -55.4 | 113.1 | 170.3 | -83.2 | -90.6 | 0 | 0 | 0 | 105.5 | G33 Q37 | G33-F35 VanDerWaalsContact O-CD2 3.26Å; G33-F35 WeakPolarHBondContact O-CD2 3.43Å; G33-F35 PolarHBondContact O-N 2.76Å; F35-Q37 PolarHBondContact O-N 2.77Å |
| 36 | Y | 38.4 | Very low | 40.3 | Very low | 203 Ų | 203 | 146.2 Ų | 146.2 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | | | trans | 20.4 | 103.8 | 145.9 | -61.3 | -86.9 | 0 | 0 | 0 | 111.4 | P34 A38 | P34-Y36 PolarHBondContact O-N 2.88Å; Y36-A38 PolarHBondContact O-N 2.86Å |
| 37 | Q | 38.8 | Very low | 40.5 | Very low | 187 Ų | 187 | 141.6 Ų | 141.6 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | | | trans | -45.7 | 99.5 | 156.4 | -68.6 | 178.4 | 3.3 | 0 | 0 | 105.4 | F35 N39 | F35-Q37 PolarHBondContact O-N 2.77Å; Q37-N39 PolarHBondContact O-N 2.68Å |
| 38 | A | 43.3 | Very low | 40.2 | Very low | 88 Ų | 88 | 139 Ų | 139 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | | | trans | -59.6 | 105.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 102 | Y36 K40 | Y36-A38 PolarHBondContact O-N 2.86Å; A38-K40 PolarHBondContact O-N 2.77Å |
| 39 | N | 41 | Very low | 40.6 | Very low | 141 Ų | 141 | 148.1 Ų | 148.1 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | | | trans | -39.8 | 121.6 | 174.7 | -93.1 | -29.1 | 0 | 0 | 0 | 104.8 | Q37 V41 | Q37-N39 PolarHBondContact O-N 2.68Å; N39-V41 HydrophobicContact CB-CG2 4.45Å; N39-V41 PolarHBondContact O-N 3.08Å |
| 40 | K | 39.5 | Very low | 40.7 | Very low | 203 Ų | 203 | 146.8 Ų | 146.8 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | | | trans | -60.2 | 75.1 | 174.7 | -68.4 | 176.6 | 179.4 | -177.8 | 0 | 106.4 | A38 Q42 | A38-K40 PolarHBondContact O-N 2.77Å; K40-Q42 PolarHBondContact O-N 2.99Å |
| 41 | V | 41.3 | Very low | 40.6 | Very low | 123 Ų | 123 | 140.1 Ų | 140.1 | 75% | 0.745 | 77% | 0.768 | S | S | * | * | | | trans | -73 | 87.8 | 161.1 | -174.6 | 0 | 0 | 0 | 0 | 101.2 | N39 Q43 | N39-V41 HydrophobicContact CB-CG2 4.45Å; N39-V41 PolarHBondContact O-N 3.08Å; V41-Q43 PolarHBondContact O-N 2.91Å |
| 42 | Q | 36.5 | Very low | 40.8 | Very low | 175 Ų | 175 | 139.1 Ų | 139.1 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | | | trans | -53.3 | 81.7 | 176.2 | -170.1 | 166 | 12.9 | 0 | 0 | 106.4 | K40 P44 | K40-Q42 PolarHBondContact O-N 2.99Å; Q42-P44 VanDerWaalsContact O-CD 3.26Å; Q42-P44 WeakPolarHBondContact O-CD 3.14Å; Q42-P44 VanDerWaalsContact O-N 3.12Å |
| 43 | Q | 36.6 | Very low | 40.6 | Very low | 169 Ų | 169 | 140.8 Ų | 140.8 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | | | trans | -60.7 | 119.6 | 167 | -73.4 | -157.3 | -13.8 | 0 | 0 | 104.2 | V41 A45 | V41-Q43 PolarHBondContact O-N 2.91Å; Q43-A45 PolarHBondContact O-N 3.07Å |
| 44 | P | 42 | Very low | 41.1 | Very low | 116 Ų | 116 | 147 Ų | 147 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | | | trans | -52 | 123.5 | 177.3 | -22.3 | 31.6 | 0 | 0 | 0 | 106.5 | Q42 R46 | Q42-P44 VanDerWaalsContact O-CD 3.26Å; Q42-P44 WeakPolarHBondContact O-CD 3.14Å; Q42-P44 VanDerWaalsContact O-N 3.12Å; P44-R46 PolarHBondContact O-N 3.1Å |
| 45 | A | 46.2 | Very low | 41.2 | Very low | 92 Ų | 92 | 144.8 Ų | 144.8 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | | | trans | -46.9 | 110.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 105.7 | Q43 S47 | Q43-A45 PolarHBondContact O-N 3.07Å; A45-S47 PolarHBondContact O-N 3.4Å |
| 46 | R | 42.9 | Very low | 41 | Very low | 251 Ų | 251 | 145.7 Ų | 145.7 | 95% | 0.947 | 79% | 0.789 | S | S | * | * | | | trans | -70.6 | 81.6 | 175.3 | -152.5 | 176.8 | -168.4 | 177.5 | 2.8 | 103.5 | P44 G48 | P44-R46 PolarHBondContact O-N 3.1Å; R46-G48 PolarHBondContact O-N 2.68Å |
| 47 | S | 44.3 | Very low | 41.3 | Very low | 104 Ų | 104 | 141.5 Ų | 141.5 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | | | trans | -57.7 | 107.1 | -179.6 | 56.9 | 0 | 0 | 0 | 0 | 104.7 | A45 R49 | A45-S47 PolarHBondContact O-N 3.4Å; S47-R49 PolarHBondContact O-N 2.75Å |
| 48 | G | 38 | Very low | 41.6 | Very low | 75 Ų | 75 | 143.3 Ų | 143.3 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | | | trans | -57.6 | 95.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 106.7 | R46 A50 | R46-G48 PolarHBondContact O-N 2.68Å; G48-A50 PolarHBondContact O-N 2.75Å |
| 49 | R | 41.5 | Very low | 41.4 | Very low | 235 Ų | 235 | 142.7 Ų | 142.7 | 89% | 0.887 | 78% | 0.778 | S | S | * | * | | | trans | -73.8 | 91.3 | 156.2 | -166.2 | 168.9 | -175.8 | 163.5 | -0.1 | 103.4 | S47 G51 | S47-R49 PolarHBondContact O-N 2.75Å; R49-G51 PolarHBondContact O-N 3.31Å |
| 50 | A | 44 | Very low | 41.2 | Very low | 84 Ų | 84 | 138.9 Ų | 138.9 | 69% | 0.694 | 77% | 0.772 | S | S | * | * | | | trans | -54.2 | 90 | 160.4 | 0 | 0 | 0 | 0 | 0 | 105.6 | G48 N52 | G48-A50 PolarHBondContact O-N 2.75Å; A50-N52 PolarHBondContact O-N 2.78Å; A50-N52 VanDerWaalsContact O-N 3.08Å |
| 51 | G | 39 | Very low | 41.4 | Very low | 57 Ų | 57 | 137 Ų | 137 | 59% | 0.588 | 77% | 0.771 | S | S | * | * | | | trans | -63.8 | 111.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 106 | R49 N53 | R49-G51 PolarHBondContact O-N 3.31Å; G51-N53 PolarHBondContact O-N 3.43Å |
| 52 | N | 45.1 | Very low | 41.7 | Very low | 133 Ų | 133 | 136.4 Ų | 136.4 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | | | trans | -35.7 | 132.3 | 173.9 | -47 | -33.8 | 0 | 0 | 0 | 110.2 | A50 E54 | A50-N52 PolarHBondContact O-N 2.78Å; A50-N52 VanDerWaalsContact O-N 3.08Å; N52-E54 PolarHBondContact O-N 2.7Å |
| 53 | N | 38.1 | Very low | 42.2 | Very low | 176 Ų | 176 | 132.1 Ų | 132.1 | 94% | 0.941 | 76% | 0.761 | S | S | * | * | | | trans | -63.7 | 66.8 | -178.4 | -64.5 | -41.3 | 0 | 0 | 0 | 111.9 | G51 S55 | G51-N53 PolarHBondContact O-N 3.43Å; N53-S55 PolarHBondContact O-N 3.17Å; N53-S55 VanDerWaalsContact O-N 3.14Å |
| 54 | E | 43.6 | Very low | 42.4 | Very low | 172 Ų | 172 | 130.7 Ų | 130.7 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | | | trans | -81.2 | 97.8 | 173.9 | -74.9 | -175.2 | -178.1 | 0 | 0 | 108.9 | N52 | N52-E54 PolarHBondContact O-N 2.7Š|
| 55 | S | 41.6 | Very low | 42.4 | Very low | 89 Ų | 89 | 131.4 Ų | 131.4 | 62% | 0.622 | 76% | 0.762 | S | S | * | * | | | trans | 55.6 | 96.9 | 151.1 | -80.7 | 0 | 0 | 0 | 0 | 117.5 | N53 E57 | N53-S55 PolarHBondContact O-N 3.17Å; N53-S55 VanDerWaalsContact O-N 3.14Å; S55-E57 PolarHBondContact O-N 3.29Å |
| 56 | L | 38.7 | Very low | 42.3 | Very low | 186 Ų | 186 | 131.1 Ų | 131.1 | 97% | 0.974 | 76% | 0.759 | S | S | * | * | | | trans | -49.1 | 74.4 | 140.4 | -71.8 | 151.6 | 0 | 0 | 0 | 110.7 | | |
| 57 | E | 45.1 | Very low | 42.2 | Very low | 116 Ų | 116 | 125.6 Ų | 125.6 | 54% | 0.542 | 75% | 0.753 | S | S | . | * | | | trans | -117.2 | 90.1 | 168.2 | -72.9 | -152.7 | -134.7 | 0 | 0 | 110.8 | S55 G59 | S55-E57 PolarHBondContact O-N 3.29Å; E57-G59 PolarHBondContact O-N 3.49Å |
| 58 | R | 45.8 | Very low | 42.2 | Very low | 224 Ų | 224 | 125 Ų | 125 | 85% | 0.845 | 76% | 0.755 | S | S | * | * | S | Bend | trans | 75.7 | 19.6 | 136.8 | -48.6 | -177 | -153.2 | -144.7 | 0.2 | 119.1 | G60 | R58-G60 VanDerWaalsContact C-N 3.27Å; R58-G60 PolarHBondContact O-N 2.93Å |
| 59 | G | 38.9 | Very low | 42.3 | Very low | 75 Ų | 75 | 126.8 Ų | 126.8 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | | | trans | -92.1 | 59 | 157.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | E57 L61 | E57-G59 PolarHBondContact O-N 3.49Å; G59-L61 PolarHBondContact O-N 2.97Å; G59-L61 VanDerWaalsContact O-N 3.14Å |
| 60 | G | 35.9 | Very low | 42 | Very low | 61 Ų | 61 | 118.4 Ų | 118.4 | 63% | 0.629 | 74% | 0.741 | S | S | * | * | | | trans | -50.3 | 123 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | R58 V62 | R58-G60 VanDerWaalsContact C-N 3.27Å; R58-G60 PolarHBondContact O-N 2.93Å; G60-V62 VanDerWaalsContact C-N 3.32Å; G60-V62 PolarHBondContact O-N 3.36Å |
| 61 | L | 44.7 | Very low | 42.2 | Very low | 165 Ų | 165 | 120.2 Ų | 120.2 | 86% | 0.864 | 75% | 0.745 | S | S | * | * | | | trans | -52.7 | 101 | 173.4 | -131.6 | 102.7 | 0 | 0 | 0 | 106.8 | G59 A63 | G59-L61 PolarHBondContact O-N 2.97Å; G59-L61 VanDerWaalsContact O-N 3.14Å; L61-A63 PolarHBondContact O-N 2.88Å |
| 62 | V | 47.3 | Very low | 42.5 | Very low | 110 Ų | 110 | 123.4 Ų | 123.4 | 67% | 0.667 | 75% | 0.754 | S | S | * | * | | | trans | -72 | 89.8 | 165.3 | -179.7 | 0 | 0 | 0 | 0 | 104 | G60 D64 | G60-V62 VanDerWaalsContact C-N 3.32Å; G60-V62 PolarHBondContact O-N 3.36Å; V62-D64 HydrophobicContact CG1-CB 3.79Å; V62-D64 WeakPolarHBondContact CG1-OD1 3.49Å; V62-D64 WeakPolarHBondContact CG1-OD2 3.06Å; V62-D64 PolarHBondContact O-N 2.73Å |
| 63 | A | 47.5 | Very low | 42.4 | Very low | 84 Ų | 84 | 128 Ų | 128 | 69% | 0.694 | 76% | 0.761 | S | S | * | * | | | trans | -72.1 | 60.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | L61 T65 | L61-A63 PolarHBondContact O-N 2.88Å; A63-T65 PolarHBondContact O-N 2.89Å |
| 64 | D | 40.1 | Very low | 42.6 | Very low | 140 Ų | 140 | 125.1 Ų | 125.1 | 75% | 0.749 | 75% | 0.75 | S | S | * | * | | | trans | -78.4 | 70.7 | 166.8 | -81.3 | -10.2 | 0 | 0 | 0 | 107.3 | V62 | V62-D64 HydrophobicContact CG1-CB 3.79Å; V62-D64 WeakPolarHBondContact CG1-OD1 3.49Å; V62-D64 WeakPolarHBondContact CG1-OD2 3.06Å; V62-D64 PolarHBondContact O-N 2.73Å |
| 65 | T | 41.1 | Very low | 42.5 | Very low | 131 Ų | 131 | 125.5 Ų | 125.5 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | | | trans | -147.1 | 89.5 | 160.4 | -51.6 | 0 | 0 | 0 | 0 | 108.7 | A63 | A63-T65 PolarHBondContact O-N 2.89Š|
| 66 | A | 45.2 | Very low | 42.5 | Very low | 86 Ų | 86 | 125 Ų | 125 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | | | trans | 4 | 124.8 | 154.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | A68 | A66-A68 PolarHBondContact O-N 3.43Š|
| 67 | T | 40.1 | Very low | 42.8 | Very low | 134 Ų | 134 | 121.8 Ų | 121.8 | 82% | 0.822 | 74% | 0.743 | S | S | * | * | | | trans | -48.5 | 84.3 | 157.7 | -49.9 | 0 | 0 | 0 | 0 | 110.7 | C69 | T67-C69 PolarHBondContact O-N 2.86Š|
| 68 | A | 46 | Very low | 42.6 | Very low | 93 Ų | 93 | 126.5 Ų | 126.5 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | | | trans | -86.2 | 95.6 | 160 | 0 | 0 | 0 | 0 | 0 | 105.7 | A66 G70 | A66-A68 PolarHBondContact O-N 3.43Å; A68-G70 PolarHBondContact O-N 2.68Å |
| 69 | C | 39.8 | Very low | 42.5 | Very low | 112 Ų | 112 | 120.7 Ų | 120.7 | 76% | 0.757 | 75% | 0.751 | S | S | * | * | | | trans | -39.3 | 130.9 | 171.9 | -55 | 0 | 0 | 0 | 0 | 109.8 | T67 | T67-C69 PolarHBondContact O-N 2.86Š|
| 70 | G | 33.7 | Very low | 42.8 | Very low | 58 Ų | 58 | 124.1 Ų | 124.1 | 60% | 0.598 | 75% | 0.752 | S | S | * | * | | | trans | -51.5 | 160.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A68 T72 | A68-G70 PolarHBondContact O-N 2.68Å; G70-T72 PolarHBondContact O-N 2.96Å |
| 71 | P | 48 | Very low | 43.3 | Very low | 122 Ų | 122 | 129.1 Ų | 129.1 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | | | trans | -51.6 | 119.4 | -174 | 22.4 | -33.4 | 0 | 0 | 0 | 109.5 | R73 | P71-R73 VanDerWaalsContact C-N 3.35Å; P71-R73 PolarHBondContact O-N 2.91Å |
| 72 | T | 46.5 | Very low | 43.1 | Very low | 125 Ų | 125 | 124.8 Ų | 124.8 | 77% | 0.767 | 75% | 0.754 | S | S | * | * | | | trans | -54.9 | 106.5 | 163.6 | 30.2 | 0 | 0 | 0 | 0 | 105.9 | G70 T74 | G70-T72 PolarHBondContact O-N 2.96Å; T72-T74 PolarHBondContact O-N 2.74Å |
| 73 | R | 43.2 | Very low | 42.9 | Very low | 230 Ų | 230 | 123.4 Ų | 123.4 | 87% | 0.868 | 75% | 0.754 | S | S | * | * | | | trans | -68.7 | 70.5 | 166.3 | -76.4 | -179.1 | 154.3 | -164.9 | -5.2 | 107 | P71 H75 | P71-R73 VanDerWaalsContact C-N 3.35Å; P71-R73 PolarHBondContact O-N 2.91Å; R73-H75 PolarHBondContact O-N 2.61Å; R73-H75 VanDerWaalsContact O-N 3.07Å |
| 74 | T | 42.6 | Very low | 42.7 | Very low | 114 Ų | 114 | 127 Ų | 127 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | | | trans | -66.4 | 108 | 164.7 | -46.1 | 0 | 0 | 0 | 0 | 104.4 | T72 A76 | T72-T74 PolarHBondContact O-N 2.74Å; T74-A76 PolarHBondContact O-N 2.88Å |
| 75 | H | 40.1 | Very low | 43.2 | Very low | 180 Ų | 180 | 125.9 Ų | 125.9 | 83% | 0.833 | 76% | 0.758 | S | S | * | * | | | trans | -59.5 | 84.9 | 171.3 | -72.2 | -97.2 | 0 | 0 | 0 | 108.1 | R73 P77 | R73-H75 PolarHBondContact O-N 2.61Å; R73-H75 VanDerWaalsContact O-N 3.07Å; H75-P77 WeakPolarHBondContact O-CD 3.14Å |
| 76 | A | 41.5 | Very low | 43.6 | Very low | 78 Ų | 78 | 129.1 Ų | 129.1 | 65% | 0.645 | 76% | 0.76 | S | S | * | * | | | trans | -73 | 120.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 106.3 | T74 Y78 | T74-A76 PolarHBondContact O-N 2.88Å; A76-Y78 PolarHBondContact O-N 2.86Å |
| 77 | P | 44.9 | Very low | 43.9 | Very low | 120 Ų | 120 | 130.7 Ų | 130.7 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | | | trans | -59.2 | 129.1 | 177 | 24.4 | -31.4 | 0 | 0 | 0 | 107.9 | H75 S79 | H75-P77 WeakPolarHBondContact O-CD 3.14Å; P77-S79 PolarHBondContact O-N 3.45Å |
| 78 | Y | 42.2 | Very low | 44.6 | Very low | 215 Ų | 215 | 129.8 Ų | 129.8 | 84% | 0.843 | 76% | 0.757 | S | S | * | * | | | trans | -46 | 103.5 | 175.6 | -65.8 | -93.4 | 0 | 0 | 0 | 109.1 | A76 | A76-Y78 PolarHBondContact O-N 2.86Š|
| 79 | S | 43.3 | Very low | 45.2 | Very low | 102 Ų | 102 | 131.1 Ų | 131.1 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | | | trans | -87 | 105.5 | 163.3 | 178.1 | 0 | 0 | 0 | 0 | 104.7 | P77 E81 | P77-S79 PolarHBondContact O-N 3.45Å; S79-E81 PolarHBondContact O-N 3.35Å |
| 80 | D | 44.5 | Very low | 45.9 | Very low | 147 Ų | 147 | 129.7 Ų | 129.7 | 79% | 0.786 | 76% | 0.758 | S | S | * | * | | | trans | -71.1 | 17 | -171.5 | -64.7 | -35.4 | 0 | 0 | 0 | 114.2 | G82 | D80-G82 PolarHBondContact O-N 3.16Š|
| 81 | E | 46.7 | Very low | 46.8 | Very low | 166 Ų | 166 | 134.3 Ų | 134.3 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -91 | 104.4 | 165.8 | -65.3 | -164.3 | 176.4 | 0 | 0 | 107.2 | S79 A83 | S79-E81 PolarHBondContact O-N 3.35Å; E81-A83 PolarHBondContact O-N 3.2Å |
| 82 | G | 40.7 | Very low | 46.9 | Very low | 73 Ų | 73 | 133.6 Ų | 133.6 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | | | trans | -56.9 | 77.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | D80 I84 | D80-G82 PolarHBondContact O-N 3.16Å; G82-I84 PolarHBondContact O-N 3.12Å |
| 83 | A | 43 | Very low | 47.3 | Very low | 81 Ų | 81 | 133.4 Ų | 133.4 | 67% | 0.669 | 77% | 0.766 | S | S | * | * | | | trans | -60.7 | 95.3 | 154.9 | 0 | 0 | 0 | 0 | 0 | 104.1 | E81 V85 | E81-A83 PolarHBondContact O-N 3.2Å; A83-V85 PolarHBondContact O-N 3.16Å |
| 84 | I | 44.2 | Very low | 47.9 | Very low | 161 Ų | 161 | 125.9 Ų | 125.9 | 83% | 0.826 | 75% | 0.753 | S | S | * | * | | | trans | -58.7 | 93.4 | 163.1 | -61.1 | 170.5 | 0 | 0 | 0 | 103.7 | G82 K86 | G82-I84 PolarHBondContact O-N 3.12Å; I84-K86 VanDerWaalsContact C-N 3.29Å; I84-K86 PolarHBondContact O-N 3.1Å |
| 85 | V | 49.1 | Very low | 48.2 | Very low | 116 Ų | 116 | 127.9 Ų | 127.9 | 70% | 0.703 | 76% | 0.759 | S | S | * | * | | | trans | -59.6 | 104 | 174.5 | 179.5 | 0 | 0 | 0 | 0 | 103.9 | A83 V87 | A83-V85 PolarHBondContact O-N 3.16Å; V85-V87 PolarHBondContact O-N 3.14Å |
| 86 | K | 50.3 | Low | 48.8 | Very low | 198 Ų | 198 | 126.6 Ų | 126.6 | 86% | 0.861 | 76% | 0.758 | S | S | * | * | | | trans | -62.6 | 94.5 | 178.6 | -155.9 | 177.6 | -169.2 | -178.8 | 0 | 105.3 | I84 P88 | I84-K86 VanDerWaalsContact C-N 3.29Å; I84-K86 PolarHBondContact O-N 3.1Å; K86-P88 VanDerWaalsContact O-CD 3.24Å; K86-P88 WeakPolarHBondContact O-CD 3.44Å; K86-P88 VanDerWaalsContact O-N 3.08Å |
| 87 | V | 52.3 | Low | 49.4 | Very low | 119 Ų | 119 | 126.7 Ų | 126.7 | 72% | 0.721 | 75% | 0.748 | S | S | * | * | | | trans | -57.1 | 117.5 | 178.8 | -179.4 | 0 | 0 | 0 | 0 | 105.9 | V85 S89 | V85-V87 PolarHBondContact O-N 3.14Å; V87-S89 PolarHBondContact O-N 2.65Å |
| 88 | P | 54.8 | Low | 49.9 | Very low | 115 Ų | 115 | 126.1 Ų | 126.1 | 75% | 0.747 | 74% | 0.744 | S | S | * | * | | | trans | -63.1 | 107.2 | 177.9 | 22.4 | -29.3 | 0 | 0 | 0 | 107.7 | K86 A90 | K86-P88 VanDerWaalsContact O-CD 3.24Å; K86-P88 WeakPolarHBondContact O-CD 3.44Å; K86-P88 VanDerWaalsContact O-N 3.08Å; P88-A90 PolarHBondContact O-N 3.22Å |
| 89 | S | 57.2 | Low | 50.7 | Low | 122 Ų | 122 | 120.9 Ų | 120.9 | 85% | 0.853 | 74% | 0.739 | S | S | * | * | | | trans | -77.7 | 9.8 | -177.9 | 54.5 | 0 | 0 | 0 | 0 | 113.4 | V87 I91 | V87-S89 PolarHBondContact O-N 2.65Å; S89-I91 PolarHBondContact O-N 3.23Å |
| 90 | A | 55.7 | Low | 51.2 | Low | 82 Ų | 82 | 120 Ų | 120 | 68% | 0.678 | 73% | 0.732 | S | S | * | * | | | trans | -91.9 | 78.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | P88 P92 | P88-A90 PolarHBondContact O-N 3.22Å; A90-P92 WeakPolarHBondContact O-CD 3.47Å |
| 91 | I | 51.9 | Low | 51.8 | Low | 154 Ų | 154 | 116.6 Ų | 116.6 | 79% | 0.79 | 73% | 0.725 | S | S | * | * | | | trans | -66.6 | 113.6 | 144.7 | -57.1 | 175.1 | 0 | 0 | 0 | 103.1 | S89 S93 | S89-I91 PolarHBondContact O-N 3.23Å; I91-S93 PolarHBondContact O-N 3.18Å |
| 92 | P | 50 | Low | 52.5 | Low | 108 Ų | 108 | 119.6 Ų | 119.6 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | | | trans | -55.1 | 119.6 | 172.1 | 21.2 | -28.5 | 0 | 0 | 0 | 105.6 | A90 A94 | A90-P92 WeakPolarHBondContact O-CD 3.47Å; P92-A94 PolarHBondContact O-N 2.91Å |
| 93 | S | 55.3 | Low | 53.7 | Low | 120 Ų | 120 | 125 Ų | 125 | 84% | 0.839 | 73% | 0.732 | S | S | * | * | | | trans | -60.2 | 85.5 | 168.3 | -59.8 | 0 | 0 | 0 | 0 | 105.6 | I91 N95 | I91-S93 PolarHBondContact O-N 3.18Å; S93-N95 VanDerWaalsContact C-N 3.34Å; S93-N95 PolarHBondContact O-N 2.78Å |
| 94 | A | 55.7 | Low | 54.6 | Low | 73 Ų | 73 | 128.6 Ų | 128.6 | 60% | 0.603 | 74% | 0.739 | S | S | * | * | | | trans | -55.6 | 112.1 | 167 | 0 | 0 | 0 | 0 | 0 | 103 | P92 L96 | P92-A94 PolarHBondContact O-N 2.91Å; A94-L96 HydrophobicContact CB-CG 4.38Å; A94-L96 PolarHBondContact O-N 2.83Å |
| 95 | N | 47.9 | Very low | 55.3 | Low | 155 Ų | 155 | 126.1 Ų | 126.1 | 83% | 0.829 | 73% | 0.732 | S | S | * | * | | | trans | -65.7 | 78 | 173 | -165.4 | -8.4 | 0 | 0 | 0 | 105.4 | S93 D97 | S93-N95 VanDerWaalsContact C-N 3.34Å; S93-N95 PolarHBondContact O-N 2.78Å; N95-D97 PolarHBondContact O-N 2.86Å |
| 96 | L | 53.7 | Low | 56 | Low | 153 Ų | 153 | 127.3 Ų | 127.3 | 80% | 0.801 | 73% | 0.733 | S | S | * | * | | | trans | -70.8 | 82.1 | 171 | -78.2 | 157.9 | 0 | 0 | 0 | 103.6 | A94 P98 | A94-L96 HydrophobicContact CB-CG 4.38Å; A94-L96 PolarHBondContact O-N 2.83Å; L96-P98 WeakPolarHBondContact O-CD 3.42Å |
| 97 | D | 54.1 | Low | 56.5 | Low | 81 Ų | 81 | 125.6 Ų | 125.6 | 43% | 0.433 | 73% | 0.728 | S | S | . | * | | | trans | -51.7 | 110.7 | 170.4 | 177.2 | 6.3 | 0 | 0 | 0 | 106.6 | N95 S99 S100 | N95-D97 PolarHBondContact O-N 2.86Å; D97-S99 PolarHBondContact O-N 3.28Å; D97-S99 VanDerWaalsContact O-N 3.07Å; D97-S99 WeakPolarHBondContact OD1-CA 3.22Å; D97-S99 WeakPolarHBondContact OD1-CB 3.24Å; D97-S99 PolarHBondContact OD1-N 2.77Å; D97-S99 PolarHBondContact OD1-OG 2.72Å; D97-S100 WeakPolarHBondContact O-CB 3.41Å; D97-S100 PolarHBondContact O-N 2.63Å |
| 98 | P | 55.1 | Low | 56.9 | Low | 108 Ų | 108 | 125.8 Ų | 125.8 | 70% | 0.701 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -62.5 | -18.4 | -179.5 | 26.8 | -33.8 | 0 | 0 | 0 | 110.8 | L96 S100 A101 | L96-P98 WeakPolarHBondContact O-CD 3.42Å; P98-S100 PolarHBondContact O-N 3.12Å; P98-A101 WeakPolarHBondContact O-CB 3.12Å; P98-A101 PolarHBondContact O-N 3.08Å; P98-A101 VanDerWaalsContact O-N 3.1Å |
| 99 | S | 59.5 | Low | 57.3 | Low | 104 Ų | 104 | 128.2 Ų | 128.2 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -67.5 | -24.5 | 173.5 | -37.1 | 0 | 0 | 0 | 0 | 112.3 | D97 A101 | D97-S99 PolarHBondContact O-N 3.28Å; D97-S99 VanDerWaalsContact O-N 3.07Å; D97-S99 WeakPolarHBondContact OD1-CA 3.22Å; D97-S99 WeakPolarHBondContact OD1-CB 3.24Å; D97-S99 PolarHBondContact OD1-N 2.77Å; D97-S99 PolarHBondContact OD1-OG 2.72Å; S99-A101 PolarHBondContact O-N 3.34Å |
| 100 | S | 54.4 | Low | 57.2 | Low | 83 Ų | 83 | 125.9 Ų | 125.9 | 58% | 0.58 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -82.6 | 5 | 173.3 | -177.3 | 0 | 0 | 0 | 0 | 112.8 | D97 P98 R102 | D97-S100 WeakPolarHBondContact O-CB 3.41Å; D97-S100 PolarHBondContact O-N 2.63Å; P98-S100 PolarHBondContact O-N 3.12Å; S100-R102 VanDerWaalsContact C-N 3.25Å; S100-R102 PolarHBondContact O-N 3.44Å |
| 101 | A | 56.8 | Low | 57.2 | Low | 77 Ų | 77 | 128.3 Ų | 128.3 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | | | trans | -62.7 | 90.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | P98 S99 K103 | P98-A101 WeakPolarHBondContact O-CB 3.12Å; P98-A101 PolarHBondContact O-N 3.08Å; P98-A101 VanDerWaalsContact O-N 3.1Å; S99-A101 PolarHBondContact O-N 3.34Å; A101-K103 PolarHBondContact O-N 2.92Å |
| 102 | R | 60.7 | Low | 57.5 | Low | 228 Ų | 228 | 128.8 Ų | 128.8 | 86% | 0.86 | 74% | 0.735 | S | S | * | * | | | trans | -57.2 | 112.2 | 173.9 | -69.3 | -175.9 | 176.4 | -136.6 | -0.6 | 106.8 | S100 L104 | S100-R102 VanDerWaalsContact C-N 3.25Å; S100-R102 PolarHBondContact O-N 3.44Å; R102-L104 PolarHBondContact O-N 3.39Å |
| 103 | K | 66.3 | Low | 57.6 | Low | 188 Ų | 188 | 129.1 Ų | 129.1 | 82% | 0.817 | 74% | 0.74 | S | S | * | * | | | trans | -55 | 104.9 | 177.3 | -173.1 | -177.6 | -178 | -168.9 | 0 | 108.3 | A101 T105 | A101-K103 PolarHBondContact O-N 2.92Å; K103-T105 PolarHBondContact O-N 3.14Å; K103-T105 PolarHBondContact O-OG1 2.81Å |
| 104 | L | 60.8 | Low | 57.2 | Low | 155 Ų | 155 | 131.1 Ų | 131.1 | 81% | 0.812 | 73% | 0.73 | S | S | * | * | | | trans | -67 | 100.8 | 177.5 | -147.2 | 99.2 | 0 | 0 | 0 | 107.1 | R102 I106 | R102-L104 PolarHBondContact O-N 3.39Å; L104-I106 HydrophobicContact CD2-CG1 4.25Å; L104-I106 PolarHBondContact O-N 2.89Å |
| 105 | T | 60.8 | Low | 57 | Low | 109 Ų | 109 | 131 Ų | 131 | 67% | 0.669 | 73% | 0.729 | S | S | * | * | | | trans | -86 | 103.4 | 176.5 | -58.2 | 0 | 0 | 0 | 0 | 107.2 | K103 Q107 | K103-T105 PolarHBondContact O-N 3.14Å; K103-T105 PolarHBondContact O-OG1 2.81Å; T105-Q107 PolarHBondContact O-N 2.85Å |
| 106 | I | 62.8 | Low | 57.2 | Low | 142 Ų | 142 | 129.8 Ų | 129.8 | 73% | 0.728 | 73% | 0.732 | S | S | * | * | | | trans | -78.3 | 107.2 | 174 | -56.2 | 175 | 0 | 0 | 0 | 106.9 | L104 | L104-I106 HydrophobicContact CD2-CG1 4.25Å; L104-I106 PolarHBondContact O-N 2.89Å |
| 107 | Q | 60.5 | Low | 57.2 | Low | 162 Ų | 162 | 126.2 Ų | 126.2 | 76% | 0.757 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -76 | 129.1 | 169.7 | -66.9 | -178.3 | -19.4 | 0 | 0 | 108.4 | T105 L109 | T105-Q107 PolarHBondContact O-N 2.85Å; Q107-L109 PolarHBondContact O-N 2.86Å |
| 108 | P | 61.8 | Low | 57 | Low | 123 Ų | 123 | 129.2 Ų | 129.2 | 80% | 0.799 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 124.2 | 172.4 | 25.1 | -30.9 | 0 | 0 | 0 | 108.6 | G110 | P108-G110 PolarHBondContact O-N 2.96Å; P108-G110 VanDerWaalsContact O-N 3.17Å |
| 109 | L | 62.7 | Low | 56.8 | Low | 166 Ų | 166 | 130.2 Ų | 130.2 | 87% | 0.869 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 121.1 | 172.1 | -69.4 | 166.8 | 0 | 0 | 0 | 107.5 | Q107 V111 | Q107-L109 PolarHBondContact O-N 2.86Å; L109-V111 PolarHBondContact O-N 3.02Å; L109-V111 VanDerWaalsContact O-N 3.1Å |
| 110 | G | 54 | Low | 56.4 | Low | 73 Ų | 73 | 130.3 Ų | 130.3 | 75% | 0.753 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 118.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | P108 K112 | P108-G110 PolarHBondContact O-N 2.96Å; P108-G110 VanDerWaalsContact O-N 3.17Å; G110-K112 PolarHBondContact O-N 2.99Å; G110-K112 VanDerWaalsContact O-N 3.16Å |
| 111 | V | 56.4 | Low | 56.2 | Low | 132 Ų | 132 | 131.3 Ų | 131.3 | 80% | 0.8 | 75% | 0.754 | S | S | * | * | | | trans | -65.7 | 113.2 | 173.6 | -76.6 | 0 | 0 | 0 | 0 | 108.4 | L109 S113 | L109-V111 PolarHBondContact O-N 3.02Å; L109-V111 VanDerWaalsContact O-N 3.1Å; V111-S113 PolarHBondContact O-N 2.97Å; V111-S113 VanDerWaalsContact O-N 3.12Å |
| 112 | K | 57.4 | Low | 56.1 | Low | 165 Ų | 165 | 133.2 Ų | 133.2 | 72% | 0.717 | 76% | 0.759 | S | S | * | * | | | trans | -71.1 | 104.5 | 167.5 | -71 | 178.8 | -179 | 175.5 | 0 | 107.1 | G110 Y114 | G110-K112 PolarHBondContact O-N 2.99Å; G110-K112 VanDerWaalsContact O-N 3.16Å; K112-Y114 HydrophobicContact CB-CE2 4.23Å; K112-Y114 WeakPolarHBondContact O-CD2 3.46Å; K112-Y114 PolarHBondContact O-N 2.72Å |
| 113 | S | 52.1 | Low | 55.8 | Low | 115 Ų | 115 | 126.5 Ų | 126.5 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | | | trans | -69.3 | 110.2 | 171 | -53.1 | 0 | 0 | 0 | 0 | 108.6 | V111 | V111-S113 PolarHBondContact O-N 2.97Å; V111-S113 VanDerWaalsContact O-N 3.12Å |
| 114 | Y | 47.8 | Very low | 54.9 | Low | 162 Ų | 162 | 121.6 Ų | 121.6 | 64% | 0.635 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 128.8 | 167.4 | -61.1 | -79.9 | 0 | 0 | 0 | 108.2 | K112 S116 | K112-Y114 HydrophobicContact CB-CE2 4.23Å; K112-Y114 WeakPolarHBondContact O-CD2 3.46Å; K112-Y114 PolarHBondContact O-N 2.72Å; Y114-S116 PolarHBondContact O-N 3.02Å |
| 115 | A | 51.8 | Low | 54.5 | Low | 71 Ų | 71 | 122.1 Ų | 122.1 | 59% | 0.587 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 134.7 | 170 | 0 | 0 | 0 | 0 | 0 | 109 | G117 Q118 | A115-G117 PolarHBondContact O-N 3.34Å; A115-G117 VanDerWaalsContact O-N 3.16Å; A115-Q118 PolarHBondContact O-N 3.35Å |
| 116 | S | 51.8 | Low | 53.8 | Low | 128 Ų | 128 | 124.7 Ų | 124.7 | 90% | 0.895 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55 | 121.7 | -179.7 | 62.1 | 0 | 0 | 0 | 0 | 110.4 | Y114 | Y114-S116 PolarHBondContact O-N 3.02Š|
| 117 | G | 54.5 | Low | 52.6 | Low | 79 Ų | 79 | 127.8 Ų | 127.8 | 81% | 0.814 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 113.5 | -10.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | A115 V119 | A115-G117 PolarHBondContact O-N 3.34Å; A115-G117 VanDerWaalsContact O-N 3.16Å; G117-V119 PolarHBondContact O-N 2.88Å |
| 118 | Q | 49.6 | Very low | 52.2 | Low | 144 Ų | 144 | 126.1 Ų | 126.1 | 67% | 0.673 | 79% | 0.785 | S | S | * | * | | | trans | -86.6 | 92.2 | 168.5 | -80.5 | -176.3 | -17.6 | 0 | 0 | 110.1 | A115 | A115-Q118 PolarHBondContact O-N 3.35Š|
| 119 | V | 51.1 | Low | 51.7 | Low | 128 Ų | 128 | 126.3 Ų | 126.3 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 122.9 | 159 | -174.6 | 0 | 0 | 0 | 0 | 106.3 | G117 S121 | G117-V119 PolarHBondContact O-N 2.88Å; V119-S121 PolarHBondContact O-N 2.75Å; V119-S121 VanDerWaalsContact O-N 3.08Å |
| 120 | P | 50.9 | Low | 51.1 | Low | 107 Ų | 107 | 124.1 Ų | 124.1 | 70% | 0.695 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 119.3 | 177.4 | 21.1 | -29.4 | 0 | 0 | 0 | 108.7 | | |
| 121 | S | 50.3 | Low | 50.9 | Low | 104 Ų | 104 | 127.1 Ų | 127.1 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 130.9 | 168.3 | -178.6 | 0 | 0 | 0 | 0 | 107.3 | V119 A123 | V119-S121 PolarHBondContact O-N 2.75Å; V119-S121 VanDerWaalsContact O-N 3.08Å; S121-A123 PolarHBondContact O-N 3.07Å |
| 122 | P | 54.2 | Low | 50.6 | Low | 116 Ų | 116 | 126.8 Ų | 126.8 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | | | trans | -55.7 | 115.5 | 173.7 | 22.7 | -30.8 | 0 | 0 | 0 | 106.7 | A124 | P122-A124 PolarHBondContact O-N 3.26Š|
| 123 | A | 54.6 | Low | 50.1 | Low | 87 Ų | 87 | 124.2 Ų | 124.2 | 72% | 0.719 | 78% | 0.784 | S | S | * | * | | | trans | -50.2 | 119.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | S121 I125 | S121-A123 PolarHBondContact O-N 3.07Å; A123-I125 PolarHBondContact O-N 2.75Å |
| 124 | A | 47.9 | Very low | 50 | Low | 86 Ų | 86 | 124.9 Ų | 124.9 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | | | trans | -47.7 | 115.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | P122 L126 | P122-A124 PolarHBondContact O-N 3.26Å; A124-L126 PolarHBondContact O-N 2.84Å |
| 125 | I | 51.5 | Low | 50.2 | Low | 166 Ų | 166 | 122 Ų | 122 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | | | trans | -64.1 | 98.7 | 171.9 | -62.9 | 172.5 | 0 | 0 | 0 | 104 | A123 T127 | A123-I125 PolarHBondContact O-N 2.75Å; I125-T127 PolarHBondContact O-N 3.32Å |
| 126 | L | 45.9 | Very low | 50 | Low | 162 Ų | 162 | 126.3 Ų | 126.3 | 85% | 0.848 | 81% | 0.812 | S | S | * | * | | | trans | -59.2 | 127.3 | 176.3 | -80.9 | 159.1 | 0 | 0 | 0 | 107.7 | A124 | A124-L126 PolarHBondContact O-N 2.84Š|
| 127 | T | 38.2 | Very low | 49.9 | Very low | 208 Ų | 208 | 126.1 Ų | 126.1 | 100% | 1.276 | 80% | 0.804 | S | S | * | * | | | trans | -56.1 | 0 | -179.7 | -51 | 0 | 0 | 0 | 0 | 112.9 | I125 | I125-T127 PolarHBondContact O-N 3.32Š|