| 1 | V | 51.1 | Low | 53 | Low | 196 Ų | 196 | 149.6 Ų | 149.6 | 100% | 1.188 | 79% | 0.785 | S | S | * | * | | | | 0 | 145.3 | 0 | 165.9 | 0 | 0 | 0 | 0 | 108.6 | | |
| 2 | Q | 42.9 | Very low | 53.5 | Low | 187 Ų | 187 | 151.4 Ų | 151.4 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | | | trans | 92.4 | 124.8 | 173.5 | -85.6 | 176.4 | 19.8 | 0 | 0 | 119.4 | | |
| 3 | H | 56 | Low | 53.2 | Low | 190 Ų | 190 | 153.9 Ų | 153.9 | 88% | 0.88 | 80% | 0.797 | S | S | * | * | | | trans | -88.4 | 149.3 | -176.4 | -59.5 | -106.3 | 0 | 0 | 0 | 109.9 | | |
| 4 | S | 53.9 | Low | 53.5 | Low | 109 Ų | 109 | 156.1 Ų | 156.1 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | | | trans | -135.8 | 96 | 166.3 | 167.4 | 0 | 0 | 0 | 0 | 108.6 | | |
| 5 | K | 55.9 | Low | 53.4 | Low | 170 Ų | 170 | 153.1 Ų | 153.1 | 74% | 0.739 | 80% | 0.8 | S | S | * | * | | | trans | -67.9 | 124.8 | 167 | 178.4 | -176.5 | 174.8 | -160.8 | 0 | 107.8 | E7 | K5-E7 IonicContact NZ-OE1 2.89Å; K5-E7 WeakPolarHBondContact CE-OE1 3.16Å; K5-E7 PolarHBondContact NZ-OE1 3.43Å |
| 6 | V | 52.3 | Low | 53.3 | Low | 114 Ų | 114 | 155.4 Ų | 155.4 | 69% | 0.691 | 81% | 0.805 | S | S | * | * | | | trans | -130 | 106.7 | 167.3 | 175.6 | 0 | 0 | 0 | 0 | 108.9 | Y8 | V6-Y8 HydrophobicContact CG1-CD2 4.47Š|
| 7 | E | 54.3 | Low | 53 | Low | 144 Ų | 144 | 158.1 Ų | 158.1 | 67% | 0.673 | 81% | 0.809 | S | S | * | * | | | trans | -60.9 | 139.3 | 158.9 | -100.9 | 147.5 | -154.6 | 0 | 0 | 109.8 | K5 | K5-E7 IonicContact NZ-OE1 2.89Å; K5-E7 WeakPolarHBondContact CE-OE1 3.16Å; K5-E7 PolarHBondContact NZ-OE1 3.43Å |
| 8 | Y | 46.7 | Very low | 53.2 | Low | 185 Ų | 185 | 155.2 Ų | 155.2 | 73% | 0.725 | 81% | 0.806 | S | S | * | * | | | trans | -150.7 | 87.6 | 162.7 | -135.7 | -89 | 0 | 0 | 0 | 114.6 | V6 L83 | V6-Y8 HydrophobicContact CG1-CD2 4.47Å; Y8-L83 WeakPolarHBondContact O-CD1 3.05Å; Y8-L83 WeakPolarHBondContact O-CD2 3.37Å |
| 9 | S | 59.9 | Low | 52.7 | Low | 81 Ų | 81 | 153.4 Ų | 153.4 | 57% | 0.566 | 80% | 0.796 | S | S | * | * | | | trans | 18.2 | 132.1 | 150.4 | 61.8 | 0 | 0 | 0 | 0 | 121.7 | | |
| 10 | D | 54.9 | Low | 52.2 | Low | 147 Ų | 147 | 153.8 Ų | 153.8 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | | | trans | -41.2 | 139.4 | 170.5 | -85.4 | -43.1 | 0 | 0 | 0 | 114.2 | L83 | D10-L83 VanDerWaalsContact N-CD1 3.3Š|
| 11 | T | 55.3 | Low | 52.1 | Low | 123 Ų | 123 | 157.1 Ų | 157.1 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | | | trans | -126.2 | 124.2 | 164 | 50.3 | 0 | 0 | 0 | 0 | 110.2 | F13 | T11-F13 PolarHBondContact O-N 3.12Š|
| 12 | D | 59.2 | Low | 52.1 | Low | 171 Ų | 171 | 153.7 Ų | 153.7 | 91% | 0.914 | 78% | 0.778 | S | S | * | * | | | trans | -56.5 | 126.2 | -178.5 | -69.9 | -52 | 0 | 0 | 0 | 112.4 | | |
| 13 | F | 49.7 | Very low | 52.2 | Low | 184 Ų | 184 | 152.7 Ų | 152.7 | 81% | 0.807 | 77% | 0.773 | S | S | * | * | | | trans | -95.9 | 104.3 | -178.6 | -131.6 | -91.1 | 0 | 0 | 0 | 110.9 | T11 S15 | T11-F13 PolarHBondContact O-N 3.12Å; F13-S15 PolarHBondContact O-N 2.79Å |
| 14 | Q | 57.4 | Low | 52.2 | Low | 185 Ų | 185 | 151.2 Ų | 151.2 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | | | trans | -84.5 | 106.9 | 174.5 | -170.3 | 165.7 | -4.5 | 0 | 0 | 110.7 | | |
| 15 | S | 51.1 | Low | 52.2 | Low | 111 Ų | 111 | 153.1 Ų | 153.1 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 127.6 | -179.4 | -179.9 | 0 | 0 | 0 | 0 | 112.1 | F13 | F13-S15 PolarHBondContact O-N 2.79Š|
| 16 | Q | 52.4 | Low | 51.8 | Low | 189 Ų | 189 | 148.7 Ų | 148.7 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 135 | 175.4 | -75.2 | -148.1 | -25.3 | 0 | 0 | 112.7 | | |
| 17 | K | 48.3 | Very low | 51.9 | Low | 201 Ų | 201 | 147.7 Ų | 147.7 | 87% | 0.874 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 135.7 | -173 | -170.1 | 176 | -175.2 | -179.5 | 0 | 110.6 | | |
| 18 | S | 56.8 | Low | 51.6 | Low | 106 Ų | 106 | 146.2 Ų | 146.2 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | | | trans | 134.6 | 131.3 | 136.4 | 71 | 0 | 0 | 0 | 0 | 112.8 | | |
| 19 | L | 43.6 | Very low | 52 | Low | 121 Ų | 121 | 142.9 Ų | 142.9 | 63% | 0.634 | 76% | 0.756 | S | S | * | * | | | trans | -161.3 | 100.7 | 139.9 | -106.2 | 174.6 | 0 | 0 | 0 | 108.2 | T70 | L19-T70 HydrophobicContact CD1-CG2 3.96Š|
| 20 | L | 42 | Very low | 51.6 | Low | 162 Ų | 162 | 145.2 Ų | 145.2 | 85% | 0.848 | 76% | 0.761 | S | S | * | * | | | | 176.1 | 122.1 | 125.2 | -100.5 | 155.5 | 0 | 0 | 0 | 109.7 | | |
| 21 | Y | 50 | Low | 51.4 | Low | 223 Ų | 223 | 144.1 Ų | 144.1 | 88% | 0.875 | 76% | 0.755 | S | S | * | * | | | trans | -98.7 | 149.3 | 176 | -146.5 | -99.6 | 0 | 0 | 0 | 108.1 | | |
| 22 | D | 51.6 | Low | 51 | Low | 125 Ų | 125 | 141.9 Ų | 141.9 | 67% | 0.668 | 74% | 0.741 | S | S | * | * | | | trans | 76 | 82.7 | 161.8 | -152.9 | 10.8 | 0 | 0 | 0 | 119.1 | E24 | D22-E24 PolarHBondContact OD1-N 3.25Š|
| 23 | H | 44.1 | Very low | 50.5 | Low | 165 Ų | 165 | 140.1 Ų | 140.1 | 76% | 0.764 | 74% | 0.739 | S | S | * | * | | | | -134.5 | 95.2 | 126.7 | -169.9 | -6.3 | 0 | 0 | 0 | 107 | N25 A26 | H23-N25 PolarHBondContact O-N 2.8Å; H23-N25 VanDerWaalsContact O-N 3.12Å; H23-A26 PolarHBondContact O-N 3.18Å |
| 24 | E | 57 | Low | 50.8 | Low | 160 Ų | 160 | 137.3 Ų | 137.3 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -39.1 | 117.6 | 158.3 | -67.8 | -72.1 | 154.4 | 0 | 0 | 108.7 | D22 | D22-E24 PolarHBondContact OD1-N 3.25Š|
| 25 | N | 53.9 | Low | 50.7 | Low | 148 Ų | 148 | 130 Ų | 130 | 79% | 0.791 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 99 | 32.2 | -177.2 | -152.2 | 41.5 | 0 | 0 | 0 | 118.7 | H23 | H23-N25 PolarHBondContact O-N 2.8Å; H23-N25 VanDerWaalsContact O-N 3.12Å |
| 26 | A | 46.5 | Very low | 50.8 | Low | 78 Ų | 78 | 133.5 Ų | 133.5 | 65% | 0.645 | 71% | 0.707 | S | S | * | * | | | trans | -92.9 | 88.5 | 146 | 0 | 0 | 0 | 0 | 0 | 108.1 | H23 T28 | H23-A26 PolarHBondContact O-N 3.18Å; A26-T28 PolarHBondContact O-OG1 3.29Å; A26-T28 PolarHBondContact O-N 3.01Å; A26-T28 VanDerWaalsContact C-N 3.26Å |
| 27 | S | 54.6 | Low | 50.9 | Low | 93 Ų | 93 | 131.2 Ų | 131.2 | 65% | 0.65 | 70% | 0.701 | S | S | * | * | | | trans | -50.3 | 93 | 173.6 | -178.1 | 0 | 0 | 0 | 0 | 109.4 | L29 | S27-L29 PolarHBondContact O-N 3.41Š|
| 28 | T | 49.6 | Very low | 51.2 | Low | 113 Ų | 113 | 126.8 Ų | 126.8 | 69% | 0.693 | 69% | 0.691 | S | S | * | * | | | trans | -74.7 | 90.9 | 170.3 | -56.6 | 0 | 0 | 0 | 0 | 103.7 | A26 I30 | A26-T28 PolarHBondContact O-OG1 3.29Å; A26-T28 PolarHBondContact O-N 3.01Å; A26-T28 VanDerWaalsContact C-N 3.26Å; T28-I30 HydrophobicContact CG2-CG1 3.9Å; T28-I30 PolarHBondContact O-N 2.71Å |
| 29 | L | 54.2 | Low | 51.1 | Low | 115 Ų | 115 | 126.2 Ų | 126.2 | 60% | 0.602 | 68% | 0.679 | S | S | * | * | | | trans | -62 | 86.9 | 166.4 | -80.7 | 166.8 | 0 | 0 | 0 | 106.5 | S27 L31 | S27-L29 PolarHBondContact O-N 3.41Å; L29-L31 VanDerWaalsContact C-N 3.31Å; L29-L31 PolarHBondContact O-N 2.74Å |
| 30 | I | 51.8 | Low | 51.5 | Low | 129 Ų | 129 | 124.7 Ų | 124.7 | 66% | 0.662 | 68% | 0.679 | S | S | * | * | | | trans | -64.3 | 100.5 | 169.2 | -62.1 | -170 | 0 | 0 | 0 | 104.8 | T28 T32 | T28-I30 HydrophobicContact CG2-CG1 3.9Å; T28-I30 PolarHBondContact O-N 2.71Å; I30-T32 HydrophobicContact CG2-CG2 3.98Å; I30-T32 PolarHBondContact O-N 2.95Å |
| 31 | L | 49.4 | Very low | 52.4 | Low | 125 Ų | 125 | 123.8 Ų | 123.8 | 65% | 0.654 | 67% | 0.674 | S | S | * | * | | | trans | -67.9 | 78.4 | 171 | -69 | 172.9 | 0 | 0 | 0 | 108.1 | L29 L39 | L29-L31 VanDerWaalsContact C-N 3.31Å; L29-L31 PolarHBondContact O-N 2.74Å; L31-L39 HydrophobicContact CD2-CD1 4.24Å |
| 32 | T | 48.5 | Very low | 52.6 | Low | 75 Ų | 75 | 118.4 Ų | 118.4 | 46% | 0.46 | 66% | 0.66 | S | S | . | * | | | trans | -63.9 | 140.1 | 163 | 50 | 0 | 0 | 0 | 0 | 108.1 | I30 T34 S35 | I30-T32 HydrophobicContact CG2-CG2 3.98Å; I30-T32 PolarHBondContact O-N 2.95Å; T32-T34 PolarHBondContact O-N 3.04Å; T32-S35 PolarHBondContact O-N 2.92Å |
| 33 | P | 47.6 | Very low | 52.8 | Low | 135 Ų | 135 | 118.5 Ų | 118.5 | 88% | 0.877 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | -7 | -172.2 | -23.2 | 32.7 | 0 | 0 | 0 | 115.9 | | |
| 34 | T | 55.9 | Low | 53.2 | Low | 124 Ų | 124 | 119.1 Ų | 119.1 | 76% | 0.761 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | -2.2 | -176.9 | -18.2 | 0 | 0 | 0 | 0 | 114.2 | T32 K36 | T32-T34 PolarHBondContact O-N 3.04Å; T34-K36 VanDerWaalsContact C-N 3.3Å; T34-K36 PolarHBondContact O-N 3.29Å |
| 35 | S | 54.9 | Low | 53.1 | Low | 31 Ų | 31 | 119.2 Ų | 119.2 | 22% | 0.217 | 67% | 0.674 | C | S | . | * | | | trans | -86.5 | 57 | -175.4 | 78.2 | 0 | 0 | 0 | 0 | 113.5 | T32 D37 | T32-S35 PolarHBondContact O-N 2.92Å; S35-D37 VanDerWaalsContact C-N 3.33Å |
| 36 | K | 54.1 | Low | 53.4 | Low | 185 Ų | 185 | 117.3 Ų | 117.3 | 80% | 0.804 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -72.6 | -27.9 | 170.8 | -79.4 | -179.5 | 178.2 | 174.6 | 0 | 112.6 | T34 | T34-K36 VanDerWaalsContact C-N 3.3Å; T34-K36 PolarHBondContact O-N 3.29Å |
| 37 | D | 55 | Low | 54 | Low | 141 Ų | 141 | 123.7 Ų | 123.7 | 75% | 0.754 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -94.7 | -11.4 | -172.1 | -64.9 | -42.1 | 0 | 0 | 0 | 115 | S35 S40 | S35-D37 VanDerWaalsContact C-N 3.33Å; D37-S40 PolarHBondContact O-OG 3.24Å |
| 38 | V | 53.2 | Low | 54.2 | Low | 108 Ų | 108 | 122.2 Ų | 122.2 | 66% | 0.655 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -91.7 | -18 | -173.8 | -174.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 39 | L | 55.3 | Low | 55.1 | Low | 94 Ų | 94 | 127 Ų | 127 | 49% | 0.492 | 69% | 0.691 | S | S | . | * | S | Bend | trans | -85.7 | -12 | -175.4 | -83.8 | 158.8 | 0 | 0 | 0 | 114.6 | L31 N41 L42 | L31-L39 HydrophobicContact CD2-CD1 4.24Å; L39-N41 PolarHBondContact O-N 3.35Å; L39-N41 VanDerWaalsContact C-N 3.29Å; L39-L42 HydrophobicContact CD2-CD1 4.04Å |
| 40 | S | 52.7 | Low | 55.4 | Low | 90 Ų | 90 | 129 Ų | 129 | 63% | 0.629 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | -19.4 | -169.7 | 47.3 | 0 | 0 | 0 | 0 | 114.8 | D37 | D37-S40 PolarHBondContact O-OG 3.24Š|
| 41 | N | 59.6 | Low | 55.8 | Low | 142 Ų | 142 | 128.5 Ų | 128.5 | 76% | 0.759 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.1 | 7.2 | -176.9 | -63.6 | -43.4 | 0 | 0 | 0 | 114.3 | L39 V43 | L39-N41 PolarHBondContact O-N 3.35Å; L39-N41 VanDerWaalsContact C-N 3.29Å; N41-V43 PolarHBondContact O-N 3.05Å |
| 42 | L | 55.3 | Low | 56.1 | Low | 111 Ų | 111 | 132.2 Ų | 132.2 | 58% | 0.581 | 71% | 0.712 | S | S | * | * | | | trans | -80.2 | 91.6 | 178.4 | -85.9 | 161.3 | 0 | 0 | 0 | 110.2 | L39 M44 | L39-L42 HydrophobicContact CD2-CD1 4.04Å; L42-M44 PolarHBondContact O-N 3.12Å; L42-M44 VanDerWaalsContact O-N 3.12Å |
| 43 | V | 55.4 | Low | 57 | Low | 127 Ų | 127 | 138 Ų | 138 | 77% | 0.77 | 73% | 0.73 | S | S | * | * | | | trans | -69.6 | 105.1 | 170.1 | 177.5 | 0 | 0 | 0 | 0 | 108.5 | N41 I45 | N41-V43 PolarHBondContact O-N 3.05Å; V43-I45 PolarHBondContact O-N 2.95Å |
| 44 | M | 53.7 | Low | 57.9 | Low | 178 Ų | 178 | 139.8 Ų | 139.8 | 88% | 0.877 | 73% | 0.729 | S | S | * | * | | | trans | -80.5 | 100.4 | 177.6 | -168.8 | 160.9 | 68.3 | 0 | 0 | 109.6 | L42 S46 | L42-M44 PolarHBondContact O-N 3.12Å; L42-M44 VanDerWaalsContact O-N 3.12Å; M44-S46 PolarHBondContact O-N 3.42Å |
| 45 | I | 53.6 | Low | 58.1 | Low | 162 Ų | 162 | 139.4 Ų | 139.4 | 83% | 0.831 | 73% | 0.732 | S | S | * | * | | | trans | -81.2 | 107.8 | 175.9 | -23.1 | 176.4 | 0 | 0 | 0 | 108 | V43 | V43-I45 PolarHBondContact O-N 2.95Š|
| 46 | S | 60.3 | Low | 58.3 | Low | 108 Ų | 108 | 145.8 Ų | 145.8 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 118.6 | 176.4 | 59.6 | 0 | 0 | 0 | 0 | 110.2 | M44 G48 | M44-S46 PolarHBondContact O-N 3.42Å; S46-G48 PolarHBondContact O-N 3.33Å |
| 47 | R | 59.3 | Low | 58.6 | Low | 212 Ų | 212 | 144.5 Ų | 144.5 | 80% | 0.8 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 118.5 | 169.3 | -177.1 | 173.6 | 170 | -179.9 | -5.5 | 107.8 | E50 | R47-E50 IonicContact CZ-OE2 3.87Å; R47-E50 IonicContact NH2-OE2 2.95Å; R47-E50 PolarHBondContact NH2-OE2 3.22Å |
| 48 | G | 59.5 | Low | 58.7 | Low | 62 Ų | 62 | 146.2 Ų | 146.2 | 64% | 0.639 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 152.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | S46 E50 | S46-G48 PolarHBondContact O-N 3.33Å; G48-E50 PolarHBondContact O-N 3.22Å |
| 49 | K | 68.3 | Low | 59.2 | Low | 213 Ų | 213 | 149.2 Ų | 149.2 | 93% | 0.926 | 77% | 0.77 | S | S | * | * | | | trans | -69.4 | 111.4 | -174.2 | -65.8 | -152.8 | 174.9 | -169.3 | 0 | 111.8 | | |
| 50 | E | 60.7 | Low | 59.1 | Low | 156 Ų | 156 | 147.5 Ų | 147.5 | 73% | 0.729 | 78% | 0.776 | S | S | * | * | | | trans | -73.7 | 124.7 | 163.5 | -89.4 | 174.3 | 125.4 | 0 | 0 | 109.5 | R47 G48 | R47-E50 IonicContact CZ-OE2 3.87Å; R47-E50 IonicContact NH2-OE2 2.95Å; R47-E50 PolarHBondContact NH2-OE2 3.22Å; G48-E50 PolarHBondContact O-N 3.22Å |
| 51 | S | 58.8 | Low | 59.5 | Low | 119 Ų | 119 | 150.3 Ų | 150.3 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | | | trans | -90.2 | 105.8 | 177.9 | 49.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 52 | Y | 56.3 | Low | 59.6 | Low | 204 Ų | 204 | 152 Ų | 152 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | | | trans | -79 | 121.9 | 171.2 | -174.8 | -100.3 | 0 | 0 | 0 | 109.9 | M54 | Y52-M54 PolarHBondContact O-N 3.05Š|
| 53 | K | 66.9 | Low | 59.6 | Low | 196 Ų | 196 | 156.4 Ų | 156.4 | 85% | 0.852 | 80% | 0.803 | S | S | * | * | | | trans | -69 | 112.4 | 174.7 | -87.2 | -158.9 | 170.5 | -170.2 | 0 | 110 | | |
| 54 | M | 66.6 | Low | 59.5 | Low | 173 Ų | 173 | 158.3 Ų | 158.3 | 85% | 0.852 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 118.5 | 168.7 | -86.2 | 164.8 | 166.2 | 0 | 0 | 109.8 | Y52 | Y52-M54 PolarHBondContact O-N 3.05Š|
| 55 | S | 60.5 | Low | 59.8 | Low | 116 Ų | 116 | 154.9 Ų | 154.9 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 136.6 | 170.1 | 40 | 0 | 0 | 0 | 0 | 110.8 | | |
| 56 | D | 60.3 | Low | 59.8 | Low | 165 Ų | 165 | 153.5 Ų | 153.5 | 88% | 0.882 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -65.9 | 129.7 | -172.6 | -79.5 | -52.3 | 0 | 0 | 0 | 114.4 | | |
| 57 | K | 59.6 | Low | 59.5 | Low | 157 Ų | 157 | 154.9 Ų | 154.9 | 68% | 0.683 | 80% | 0.795 | S | S | * | * | | | trans | 73.1 | 84.7 | 144.9 | -152.7 | 175.1 | -167.9 | 172.5 | 0 | 118.2 | K59 | K57-K59 VanDerWaalsContact CE-CE 3.43Å; K57-K59 HydrophobicContact CG-CG 4.08Å; K57-K59 HydrophobicContact CD-CG 4.49Å |
| 58 | L | 56.9 | Low | 59.1 | Low | 178 Ų | 178 | 152.2 Ų | 152.2 | 93% | 0.932 | 79% | 0.791 | S | S | * | * | | | | -92.8 | 118.9 | 128 | -73.2 | 169.8 | 0 | 0 | 0 | 107.1 | G60 | L58-G60 PolarHBondContact O-N 2.75Š|
| 59 | K | 62.8 | Low | 58.8 | Low | 170 Ų | 170 | 155.7 Ų | 155.7 | 74% | 0.739 | 79% | 0.794 | S | S | * | * | | | trans | -66.7 | 81.2 | 166.8 | -80.7 | -178.5 | 169.8 | -175.6 | 0 | 107.5 | K57 | K57-K59 VanDerWaalsContact CE-CE 3.43Å; K57-K59 HydrophobicContact CG-CG 4.08Å; K57-K59 HydrophobicContact CD-CG 4.49Å |
| 60 | G | 53.2 | Low | 57.8 | Low | 59 Ų | 59 | 149.7 Ų | 149.7 | 61% | 0.608 | 78% | 0.776 | S | S | * | * | | | trans | -76.2 | 118.5 | 161 | 0 | 0 | 0 | 0 | 0 | 106.9 | L58 N62 | L58-G60 PolarHBondContact O-N 2.75Å; G60-N62 PolarHBondContact O-N 3.48Å |
| 61 | N | 61.1 | Low | 57.6 | Low | 149 Ų | 149 | 151.3 Ų | 151.3 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | | | trans | -55.3 | 129.2 | 166.9 | -47.3 | -22.1 | 0 | 0 | 0 | 106 | Y63 | N61-Y63 PolarHBondContact O-N 3.22Š|
| 62 | N | 61.7 | Low | 57.6 | Low | 176 Ų | 176 | 152.5 Ų | 152.5 | 94% | 0.941 | 78% | 0.778 | S | S | * | * | | | trans | -48.1 | 98.9 | -177.9 | -63.8 | -37.3 | 0 | 0 | 0 | 110.1 | G60 | G60-N62 PolarHBondContact O-N 3.48Š|
| 63 | Y | 55.1 | Low | 57.6 | Low | 204 Ų | 204 | 149 Ų | 149 | 80% | 0.8 | 77% | 0.771 | S | S | * | * | | | trans | -109.6 | 105.5 | 159.8 | -166.1 | -99.6 | 0 | 0 | 0 | 104.1 | N61 S65 | N61-Y63 PolarHBondContact O-N 3.22Å; Y63-S65 VanDerWaalsContact C-N 3.25Å; Y63-S65 PolarHBondContact O-N 2.82Å |
| 64 | E | 53.9 | Low | 56.9 | Low | 168 Ų | 168 | 145.3 Ų | 145.3 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | | | trans | -54 | 97.1 | 170.6 | -153.2 | 151.6 | -157.1 | 0 | 0 | 106.3 | D66 | E64-D66 PolarHBondContact O-N 2.96Š|
| 65 | S | 59.4 | Low | 56.4 | Low | 105 Ų | 105 | 149 Ų | 149 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | | | trans | -81.6 | 67.8 | -176.5 | 167.4 | 0 | 0 | 0 | 0 | 107.9 | Y63 | Y63-S65 VanDerWaalsContact C-N 3.25Å; Y63-S65 PolarHBondContact O-N 2.82Å |
| 66 | D | 54.8 | Low | 56.1 | Low | 133 Ų | 133 | 152.6 Ų | 152.6 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | | | trans | -89.7 | 128.6 | 164.6 | -83.7 | -22.2 | 0 | 0 | 0 | 109.5 | E64 | E64-D66 PolarHBondContact O-N 2.96Š|
| 67 | V | 52.8 | Low | 55.9 | Low | 137 Ų | 137 | 155.2 Ų | 155.2 | 83% | 0.83 | 77% | 0.77 | S | S | * | * | | | trans | 90.9 | 91.1 | 164.7 | -167.1 | 0 | 0 | 0 | 0 | 115.3 | | |
| 68 | E | 51.1 | Low | 55.2 | Low | 157 Ų | 157 | 153.5 Ų | 153.5 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | | | trans | -50.1 | 143.1 | 157.2 | -153.9 | -166.5 | 150.5 | 0 | 0 | 111.9 | | |
| 69 | L | 54.8 | Low | 54.9 | Low | 134 Ų | 134 | 152.4 Ų | 152.4 | 70% | 0.702 | 76% | 0.755 | S | S | * | * | | | trans | 29.6 | 129.8 | 150.7 | -93 | 67.9 | 0 | 0 | 0 | 117.7 | | |
| 70 | T | 46.3 | Very low | 54.1 | Low | 88 Ų | 88 | 152.1 Ų | 152.1 | 54% | 0.54 | 76% | 0.758 | S | S | . | * | | | | -162.6 | 130.5 | 95.5 | -73 | 0 | 0 | 0 | 0 | 110.4 | L19 N72 | L19-T70 HydrophobicContact CD1-CG2 3.96Å; T70-N72 PolarHBondContact O-N 2.89Å |
| 71 | K | 57.3 | Low | 54.4 | Low | 190 Ų | 190 | 158.6 Ų | 158.6 | 83% | 0.826 | 77% | 0.766 | S | S | * | * | | | trans | -59.3 | 100.8 | 168 | -75.8 | 170.7 | 171.2 | 174.1 | 0 | 109.9 | | |
| 72 | N | 58 | Low | 54.1 | Low | 144 Ų | 144 | 157.8 Ų | 157.8 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | | | trans | 161.1 | 92.6 | 136.3 | -94.7 | -23.6 | 0 | 0 | 0 | 110.1 | T70 | T70-N72 PolarHBondContact O-N 2.89Š|
| 73 | I | 56.2 | Low | 53.5 | Low | 129 Ų | 129 | 156.8 Ų | 156.8 | 66% | 0.662 | 76% | 0.76 | S | S | * | * | | | trans | -107.1 | 123.4 | 151.7 | -55.3 | 177.8 | 0 | 0 | 0 | 105 | W75 I78 | I73-W75 PolarHBondContact O-N 2.75Å; I73-I78 HydrophobicContact CG2-CD1 4.46Å |
| 74 | P | 51.8 | Low | 53.4 | Low | 119 Ų | 119 | 154.4 Ų | 154.4 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | | | trans | -58.2 | 118.3 | 172.8 | -13.7 | 24.7 | 0 | 0 | 0 | 108.1 | K76 | P74-K76 PolarHBondContact O-N 3.28Š|
| 75 | W | 56.1 | Low | 53.4 | Low | 252 Ų | 252 | 153.7 Ų | 153.7 | 96% | 0.955 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -59.5 | 3.6 | -166.7 | -166.2 | -84.5 | 0 | 0 | 0 | 116.1 | I73 R77 | I73-W75 PolarHBondContact O-N 2.75Å; W75-R77 PolarHBondContact O-N 2.79Å |
| 76 | K | 55.4 | Low | 53.1 | Low | 191 Ų | 191 | 156.4 Ų | 156.4 | 83% | 0.83 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -95 | 93.4 | -174.4 | -78.3 | -178.5 | 179.2 | 174.9 | 0 | 112.1 | P74 | P74-K76 PolarHBondContact O-N 3.28Š|
| 77 | R | 55 | Low | 53 | Low | 219 Ų | 219 | 157.8 Ų | 157.8 | 83% | 0.826 | 76% | 0.76 | S | S | * | * | | | trans | 72.6 | 81.1 | 147.6 | -59.6 | -179.6 | 175.2 | -163 | -1 | 115.3 | W75 | W75-R77 PolarHBondContact O-N 2.79Š|
| 78 | I | 46.3 | Very low | 53 | Low | 121 Ų | 121 | 159.1 Ų | 159.1 | 62% | 0.621 | 76% | 0.756 | S | S | * | * | | | trans | -97.5 | 96 | 150.9 | -57 | 174.9 | 0 | 0 | 0 | 106.1 | I73 | I73-I78 HydrophobicContact CG2-CD1 4.46Š|
| 79 | K | 50.5 | Low | 53.1 | Low | 155 Ų | 155 | 159.2 Ų | 159.2 | 67% | 0.674 | 76% | 0.758 | S | S | * | * | | | trans | -82.4 | 112.6 | 162.7 | -78.1 | -174.8 | 175.4 | -175.4 | 0 | 106.2 | Y81 | K79-Y81 HydrophobicContact CB-CE2 4.28Å; K79-Y81 HydrophobicContact CD-CE2 4.4Å |
| 80 | M | 46.1 | Very low | 53 | Low | 164 Ų | 164 | 161 Ų | 161 | 81% | 0.808 | 76% | 0.762 | S | S | * | * | | | trans | -93.5 | 108.6 | 176.3 | -158.3 | 151.3 | 69.8 | 0 | 0 | 107.7 | | |
| 81 | Y | 58.8 | Low | 53.5 | Low | 195 Ų | 195 | 166.6 Ų | 166.6 | 77% | 0.765 | 78% | 0.779 | S | S | * | * | | | trans | -91 | 125.6 | 167.2 | -72.5 | -82.8 | 0 | 0 | 0 | 107.8 | K79 | K79-Y81 HydrophobicContact CB-CE2 4.28Å; K79-Y81 HydrophobicContact CD-CE2 4.4Å |
| 82 | V | 53.9 | Low | 53.2 | Low | 133 Ų | 133 | 164.7 Ų | 164.7 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | | | trans | -93 | 124.8 | 174 | -179.2 | 0 | 0 | 0 | 0 | 106.9 | | |
| 83 | L | 50.3 | Low | 52.8 | Low | 154 Ų | 154 | 166.5 Ų | 166.5 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | | | trans | -86.6 | 0 | 170.2 | -77 | 158.7 | 0 | 0 | 0 | 110.8 | Y8 D10 | Y8-L83 WeakPolarHBondContact O-CD1 3.05Å; Y8-L83 WeakPolarHBondContact O-CD2 3.37Å; D10-L83 VanDerWaalsContact N-CD1 3.3Å |