| 1 | M | 37.6 | Very low | 46.3 | Very low | 236 Ų | 236 | 137.3 Ų | 137.3 | 100% | 1.163 | 81% | 0.805 | S | S | * | * | | | | 0 | 121.2 | 0 | -58 | 179 | 92.5 | 0 | 0 | 107 | | |
| 2 | S | 39.7 | Very low | 46.8 | Very low | 113 Ų | 113 | 141.2 Ų | 141.2 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | | | cis | 162.4 | 113.4 | -32.3 | -82 | 0 | 0 | 0 | 0 | 107.2 | | |
| 3 | A | 43.2 | Very low | 47.7 | Very low | 112 Ų | 112 | 138.2 Ų | 138.2 | 93% | 0.926 | 79% | 0.786 | S | S | * | * | | | trans | 63.1 | 160.5 | 158.9 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 4 | G | 42 | Very low | 48.3 | Very low | 70 Ų | 70 | 137.9 Ų | 137.9 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | | | trans | 90.6 | 104.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 5 | L | 52.5 | Low | 48.9 | Very low | 156 Ų | 156 | 137.5 Ų | 137.5 | 82% | 0.817 | 78% | 0.775 | S | S | * | * | | | cis | 56.8 | 85.3 | 14 | -67 | -171.6 | 0 | 0 | 0 | 116.1 | | |
| 6 | E | 46.7 | Very low | 49.4 | Very low | 192 Ų | 192 | 139.9 Ų | 139.9 | 90% | 0.897 | 78% | 0.778 | S | S | * | * | | | | -133.5 | 116.4 | 128.9 | -64.5 | -174.8 | 156.7 | 0 | 0 | 103.7 | | |
| 7 | D | 43.7 | Very low | 50 | Low | 111 Ų | 111 | 135.8 Ų | 135.8 | 59% | 0.594 | 77% | 0.766 | S | S | * | * | | | | 59.5 | 95.4 | 70.4 | -68.2 | -21.8 | 0 | 0 | 0 | 112.3 | D9 | D7-D9 VanDerWaalsContact C-N 3.28Å; D7-D9 PolarHBondContact O-N 3.5Å |
| 8 | T | 51.2 | Low | 50.4 | Low | 118 Ų | 118 | 132.1 Ų | 132.1 | 72% | 0.724 | 75% | 0.747 | S | S | * | * | | | | 73.4 | -4.7 | 70.9 | 71.4 | 0 | 0 | 0 | 0 | 116.1 | N10 | T8-N10 PolarHBondContact O-N 3.17Š|
| 9 | D | 49.6 | Very low | 50.8 | Low | 132 Ų | 132 | 129.3 Ų | 129.3 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | | | trans | -91.6 | 48.6 | 178.3 | -72.1 | -43.3 | 0 | 0 | 0 | 115 | D7 | D7-D9 VanDerWaalsContact C-N 3.28Å; D7-D9 PolarHBondContact O-N 3.5Å |
| 10 | N | 49.5 | Very low | 51.1 | Low | 159 Ų | 159 | 131 Ų | 131 | 85% | 0.85 | 74% | 0.736 | S | S | * | * | | | trans | -95.3 | 41.1 | 151.8 | -86.9 | -97.9 | 0 | 0 | 0 | 110.2 | T8 F12 | T8-N10 PolarHBondContact O-N 3.17Å; N10-F12 PolarHBondContact O-N 3.16Å |
| 11 | V | 53.3 | Low | 51 | Low | 111 Ų | 111 | 129.7 Ų | 129.7 | 67% | 0.673 | 73% | 0.731 | S | S | * | * | | | trans | -70.3 | 114.3 | 165.7 | 179.5 | 0 | 0 | 0 | 0 | 107 | D13 | V11-D13 PolarHBondContact O-N 3.36Š|
| 12 | F | 53.2 | Low | 51.8 | Low | 184 Ų | 184 | 124.3 Ų | 124.3 | 81% | 0.807 | 70% | 0.703 | S | S | * | * | | | trans | -48.2 | 126.2 | 174.3 | -66.4 | -98.5 | 0 | 0 | 0 | 110 | N10 L14 | N10-F12 PolarHBondContact O-N 3.16Å; F12-L14 PolarHBondContact O-N 3.23Å |
| 13 | D | 58 | Low | 52.5 | Low | 103 Ų | 103 | 125 Ų | 125 | 55% | 0.551 | 70% | 0.697 | S | S | * | * | | | trans | -72.5 | 82.8 | 177.3 | -171 | 3.8 | 0 | 0 | 0 | 110.4 | V11 N15 E16 | V11-D13 PolarHBondContact O-N 3.36Å; D13-N15 PolarHBondContact O-N 3.31Å; D13-N15 VanDerWaalsContact OD1-CB 3.25Å; D13-N15 WeakPolarHBondContact OD1-CB 2.93Å; D13-N15 PolarHBondContact OD1-N 3.46Å; D13-N15 VanDerWaalsContact OD1-N 3.15Å; D13-N15 PolarHBondContact OD1-ND2 3.31Å; D13-E16 PolarHBondContact O-N 3.01Å |
| 14 | L | 56.1 | Low | 53.1 | Low | 134 Ų | 134 | 124.7 Ų | 124.7 | 70% | 0.702 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | -1.7 | -178.5 | -148.3 | 70.5 | 0 | 0 | 0 | 112.6 | F12 A17 | F12-L14 PolarHBondContact O-N 3.23Å; L14-A17 HydrophobicContact CD1-CB 4.27Å |
| 15 | N | 57.9 | Low | 53.7 | Low | 131 Ų | 131 | 125.4 Ų | 125.4 | 70% | 0.701 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -29.9 | 169.6 | -52.3 | -80.9 | 0 | 0 | 0 | 111.8 | D13 A17 V18 | D13-N15 PolarHBondContact O-N 3.31Å; D13-N15 VanDerWaalsContact OD1-CB 3.25Å; D13-N15 WeakPolarHBondContact OD1-CB 2.93Å; D13-N15 PolarHBondContact OD1-N 3.46Å; D13-N15 VanDerWaalsContact OD1-N 3.15Å; D13-N15 PolarHBondContact OD1-ND2 3.31Å; N15-A17 PolarHBondContact O-N 3.12Å; N15-V18 PolarHBondContact O-N 3.16Å |
| 16 | E | 56.9 | Low | 53.8 | Low | 176 Ų | 176 | 122.8 Ų | 122.8 | 82% | 0.822 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | -20.6 | 173.9 | -166.9 | 173.6 | -139.5 | 0 | 0 | 111.8 | D13 V18 | D13-E16 PolarHBondContact O-N 3.01Å; E16-V18 VanDerWaalsContact C-N 3.32Å; E16-V18 PolarHBondContact O-N 2.91Å |
| 17 | A | 58.4 | Low | 54.2 | Low | 70 Ų | 70 | 117.3 Ų | 117.3 | 58% | 0.579 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -4.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L14 N15 P19 | L14-A17 HydrophobicContact CD1-CB 4.27Å; N15-A17 PolarHBondContact O-N 3.12Å; A17-P19 WeakPolarHBondContact O-CD 3.06Å |
| 18 | V | 57.7 | Low | 54.7 | Low | 70 Ų | 70 | 116.3 Ų | 116.3 | 42% | 0.424 | 63% | 0.63 | S | S | . | * | S | Bend | trans | -85.4 | 115.1 | 175.3 | -178.2 | 0 | 0 | 0 | 0 | 109.3 | N15 E16 E20 E22 | N15-V18 PolarHBondContact O-N 3.16Å; E16-V18 VanDerWaalsContact C-N 3.32Å; E16-V18 PolarHBondContact O-N 2.91Å; V18-E20 PolarHBondContact O-N 3.17Å; V18-E22 HydrophobicContact CG1-CB 4.5Å |
| 19 | P | 57.5 | Low | 55 | Low | 78 Ų | 78 | 116.2 Ų | 116.2 | 51% | 0.506 | 62% | 0.621 | S | S | . | * | | | trans | -67.2 | 132.1 | -178.7 | 28.2 | -34.5 | 0 | 0 | 0 | 110.8 | A17 T21 E22 | A17-P19 WeakPolarHBondContact O-CD 3.06Å; P19-T21 PolarHBondContact O-N 3.5Å; P19-T21 PolarHBondContact O-OG1 2.85Å; P19-E22 PolarHBondContact O-N 2.84Å |
| 20 | E | 56.7 | Low | 55.3 | Low | 164 Ų | 164 | 117.5 Ų | 117.5 | 77% | 0.766 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.5 | -21.3 | -176.5 | -60.4 | -173.4 | 131.2 | 0 | 0 | 114.5 | V18 E22 L23 | V18-E20 PolarHBondContact O-N 3.17Å; E20-E22 PolarHBondContact O-N 2.71Å; E20-L23 PolarHBondContact O-N 2.74Å |
| 21 | T | 49 | Very low | 55.5 | Low | 103 Ų | 103 | 112 Ų | 112 | 63% | 0.632 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -54.2 | -30.8 | 173.2 | 48.8 | 0 | 0 | 0 | 0 | 114.4 | P19 | P19-T21 PolarHBondContact O-N 3.5Å; P19-T21 PolarHBondContact O-OG1 2.85Å |
| 22 | E | 55.1 | Low | 55.6 | Low | 123 Ų | 123 | 116.3 Ų | 116.3 | 58% | 0.575 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -79.7 | -32 | -177.6 | -170.1 | 167.2 | -169.3 | 0 | 0 | 112.9 | V18 P19 E20 L24 D25 | V18-E22 HydrophobicContact CG1-CB 4.5Å; P19-E22 PolarHBondContact O-N 2.84Å; E20-E22 PolarHBondContact O-N 2.71Å; E22-L24 PolarHBondContact O-N 2.99Å; E22-D25 PolarHBondContact O-N 3.14Å |
| 23 | L | 54.4 | Low | 55.7 | Low | 127 Ų | 127 | 110.9 Ų | 110.9 | 67% | 0.665 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -60.6 | -26.8 | 173.4 | -64.3 | 174.5 | 0 | 0 | 0 | 112.1 | E20 S27 | E20-L23 PolarHBondContact O-N 2.74Å; L23-S27 PolarHBondContact O-N 2.8Å |
| 24 | L | 55.2 | Low | 55.8 | Low | 106 Ų | 106 | 114 Ų | 114 | 56% | 0.555 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -74.4 | -35.8 | -179.5 | -63.2 | 178.2 | 0 | 0 | 0 | 113.2 | E22 S27 I28 | E22-L24 PolarHBondContact O-N 2.99Å; L24-S27 WeakPolarHBondContact O-CB 3.49Å; L24-S27 PolarHBondContact O-N 3.33Å; L24-I28 HydrophobicContact CB-CD1 4.4Å; L24-I28 WeakPolarHBondContact O-CB 3.47Å; L24-I28 WeakPolarHBondContact O-CD1 3.45Å; L24-I28 WeakPolarHBondContact O-CG1 3.38Å; L24-I28 PolarHBondContact O-N 3.24Å |
| 25 | D | 55.9 | Low | 55.6 | Low | 86 Ų | 86 | 114.7 Ų | 114.7 | 46% | 0.46 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -69.5 | -45.8 | -176.4 | -166 | 15.1 | 0 | 0 | 0 | 111.3 | E22 S27 I28 Q29 | E22-D25 PolarHBondContact O-N 3.14Å; D25-S27 PolarHBondContact O-N 3.1Å; D25-I28 PolarHBondContact O-N 2.86Å; D25-I28 VanDerWaalsContact O-N 3.14Å; D25-Q29 WeakPolarHBondContact O-CB 2.82Å; D25-Q29 VanDerWaalsContact O-CG 3.32Å; D25-Q29 WeakPolarHBondContact O-CG 3.23Å; D25-Q29 PolarHBondContact O-N 2.91Å; D25-Q29 PolarHBondContact OD1-NE2 3.13Å; D25-Q29 PolarHBondContact OD2-NE2 2.84Å |
| 26 | N | 54 | Low | 55.4 | Low | 101 Ų | 101 | 112.9 Ų | 112.9 | 54% | 0.54 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -55.8 | -37.1 | 172.2 | -92.6 | -79.5 | 0 | 0 | 0 | 112.9 | K30 | N26-K30 PolarHBondContact O-N 2.8Å |
| 27 | S | 53.9 | Low | 55.5 | Low | 76 Ų | 76 | 110.3 Ų | 110.3 | 53% | 0.531 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -70.2 | -45.9 | 175.9 | -172.8 | 0 | 0 | 0 | 0 | 112.3 | L23 L24 D25 Q29 K30 G31 | L23-S27 PolarHBondContact O-N 2.8Å; L24-S27 WeakPolarHBondContact O-CB 3.49Å; L24-S27 PolarHBondContact O-N 3.33Å; D25-S27 PolarHBondContact O-N 3.1Å; S27-Q29 PolarHBondContact O-N 3.39Å; S27-K30 PolarHBondContact O-N 2.79Å; S27-G31 PolarHBondContact O-N 2.97Å |
| 28 | I | 56.1 | Low | 55.5 | Low | 91 Ų | 91 | 116 Ų | 116 | 47% | 0.467 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -65.3 | -38.5 | 179.5 | -70.6 | 163.5 | 0 | 0 | 0 | 111.3 | L24 D25 R32 | L24-I28 HydrophobicContact CB-CD1 4.4Å; L24-I28 WeakPolarHBondContact O-CB 3.47Å; L24-I28 WeakPolarHBondContact O-CD1 3.45Å; L24-I28 WeakPolarHBondContact O-CG1 3.38Å; L24-I28 PolarHBondContact O-N 3.24Å; D25-I28 PolarHBondContact O-N 2.86Å; D25-I28 VanDerWaalsContact O-N 3.14Å; I28-R32 WeakPolarHBondContact O-CG 3.46Å; I28-R32 PolarHBondContact O-N 2.79Å |
| 29 | Q | 57.2 | Low | 55.6 | Low | 115 Ų | 115 | 117.8 Ų | 117.8 | 54% | 0.537 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -68 | -48 | 176.7 | -68.2 | -177.4 | 35 | 0 | 0 | 111.7 | D25 S27 G31 R32 | D25-Q29 WeakPolarHBondContact O-CB 2.82Å; D25-Q29 VanDerWaalsContact O-CG 3.32Å; D25-Q29 WeakPolarHBondContact O-CG 3.23Å; D25-Q29 PolarHBondContact O-N 2.91Å; D25-Q29 PolarHBondContact OD1-NE2 3.13Å; D25-Q29 PolarHBondContact OD2-NE2 2.84Å; S27-Q29 PolarHBondContact O-N 3.39Å; Q29-G31 PolarHBondContact O-N 3.45Å; Q29-R32 PolarHBondContact O-N 3.35Å |
| 30 | K | 55.7 | Low | 55.6 | Low | 160 Ų | 160 | 126.3 Ų | 126.3 | 70% | 0.696 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -62.2 | -40 | 174.1 | -81 | 178.7 | 175.6 | 169.9 | 0 | 112.7 | N26 S27 R32 A33 | N26-K30 PolarHBondContact O-N 2.8Å; S27-K30 PolarHBondContact O-N 2.79Å; K30-R32 VanDerWaalsContact C-N 3.31Å; K30-R32 PolarHBondContact O-N 3.24Å; K30-A33 PolarHBondContact O-N 3Å |
| 31 | G | 53.4 | Low | 56 | Low | 42 Ų | 42 | 128.9 Ų | 128.9 | 43% | 0.433 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -64.1 | -30.2 | 179 | 0 | 0 | 0 | 0 | 0 | 114.2 | S27 Q29 A33 | S27-G31 PolarHBondContact O-N 2.97Å; Q29-G31 PolarHBondContact O-N 3.45Å; G31-A33 PolarHBondContact O-N 2.86Å |
| 32 | R | 56 | Low | 56.3 | Low | 203 Ų | 203 | 131.5 Ų | 131.5 | 77% | 0.766 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -71 | -25.1 | 178.7 | -82.7 | 176 | 167.8 | -179.2 | -1.6 | 114.1 | I28 Q29 K30 | I28-R32 WeakPolarHBondContact O-CG 3.46Å; I28-R32 PolarHBondContact O-N 2.79Å; Q29-R32 PolarHBondContact O-N 3.35Å; K30-R32 VanDerWaalsContact C-N 3.31Å; K30-R32 PolarHBondContact O-N 3.24Å |
| 33 | A | 54.9 | Low | 57 | Low | 70 Ų | 70 | 136.2 Ų | 136.2 | 58% | 0.579 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -73.4 | -32.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | K30 G31 S36 | K30-A33 PolarHBondContact O-N 3Å; G31-A33 PolarHBondContact O-N 2.86Å; A33-S36 PolarHBondContact O-OG 3.35Å |
| 34 | Q | 59.7 | Low | 57.1 | Low | 167 Ų | 167 | 135.1 Ų | 135.1 | 78% | 0.78 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -92.1 | -9.4 | -165.9 | -63.4 | -167.9 | -1 | 0 | 0 | 115.8 | | |
| 35 | L | 52.3 | Low | 57.3 | Low | 149 Ų | 149 | 134.6 Ų | 134.6 | 78% | 0.78 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -97.4 | -3.8 | -175.3 | -62.4 | -179.3 | 0 | 0 | 0 | 114.7 | V37 | L35-V37 PolarHBondContact O-N 3.26Š|
| 36 | S | 54.4 | Low | 57.7 | Low | 93 Ų | 93 | 142.2 Ų | 142.2 | 65% | 0.65 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | -20.6 | -175.3 | 54.3 | 0 | 0 | 0 | 0 | 114.8 | A33 | A33-S36 PolarHBondContact O-OG 3.35Š|
| 37 | V | 57.5 | Low | 57.7 | Low | 122 Ų | 122 | 141.3 Ų | 141.3 | 74% | 0.739 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -7.7 | -161.8 | -161.5 | 0 | 0 | 0 | 0 | 114.5 | L35 | L35-V37 PolarHBondContact O-N 3.26Š|
| 38 | K | 58.8 | Low | 57.9 | Low | 189 Ų | 189 | 147.1 Ų | 147.1 | 82% | 0.822 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -134.2 | 35 | -161.4 | -148.3 | 73.6 | 175.4 | -171 | 0 | 118.4 | | |
| 39 | T | 59.6 | Low | 57.9 | Low | 109 Ų | 109 | 153.6 Ų | 153.6 | 67% | 0.669 | 73% | 0.728 | S | S | * | * | | | trans | -132.2 | 21.8 | 171.9 | 45.5 | 0 | 0 | 0 | 0 | 117.8 | R41 | T39-R41 PolarHBondContact O-N 3.36Š|
| 40 | R | 58.8 | Low | 58 | Low | 257 Ų | 257 | 157.9 Ų | 157.9 | 97% | 0.97 | 74% | 0.739 | S | S | * | * | | | trans | -72.1 | 62.7 | 156.2 | -164.9 | 178.7 | -176.8 | -122.5 | 3.3 | 110.6 | H42 | R40-H42 PolarHBondContact O-N 2.97Š|
| 41 | R | 65.2 | Low | 58 | Low | 217 Ų | 217 | 156 Ų | 156 | 82% | 0.819 | 74% | 0.737 | S | S | * | * | | | trans | -62.4 | 118.3 | 170.9 | -69.9 | -172.2 | -179.7 | -167 | 0.8 | 107.7 | T39 R43 | T39-R41 PolarHBondContact O-N 3.36Å; R41-R43 PolarHBondContact O-N 2.97Å |
| 42 | H | 54.8 | Low | 58.1 | Low | 159 Ų | 159 | 159.4 Ų | 159.4 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | | | trans | -55.1 | 107 | 168.6 | 175.7 | -88.2 | 0 | 0 | 0 | 108.5 | R40 P44 | R40-H42 PolarHBondContact O-N 2.97Å; H42-P44 VanDerWaalsContact O-CD 3.24Å; H42-P44 WeakPolarHBondContact O-CD 3.32Å |
| 43 | R | 68.8 | Low | 58.2 | Low | 221 Ų | 221 | 156.2 Ų | 156.2 | 83% | 0.834 | 76% | 0.757 | S | S | * | * | | | trans | -59.6 | 119.6 | 169.5 | -106.1 | -176.2 | 166.1 | 92.5 | -4.8 | 106.4 | R41 S45 | R41-R43 PolarHBondContact O-N 2.97Å; R43-S45 PolarHBondContact O-N 3.45Å |
| 44 | P | 57.7 | Low | 58.2 | Low | 105 Ų | 105 | 158.8 Ų | 158.8 | 68% | 0.682 | 77% | 0.77 | S | S | * | * | | | trans | -61.4 | 116.7 | 170.2 | -19.4 | 33 | 0 | 0 | 0 | 107.7 | H42 R46 | H42-P44 VanDerWaalsContact O-CD 3.24Å; H42-P44 WeakPolarHBondContact O-CD 3.32Å; P44-R46 VanDerWaalsContact C-N 3.35Å; P44-R46 PolarHBondContact O-N 3.47Å |
| 45 | S | 58.6 | Low | 57.8 | Low | 95 Ų | 95 | 156.1 Ų | 156.1 | 66% | 0.664 | 77% | 0.771 | S | S | * | * | | | trans | -65.4 | 91.9 | -177.6 | -62.8 | 0 | 0 | 0 | 0 | 110.2 | R43 S47 | R43-S45 PolarHBondContact O-N 3.45Å; S45-S47 PolarHBondContact O-N 2.87Å; S45-S47 PolarHBondContact O-OG 2.82Å |
| 46 | R | 63.7 | Low | 57.9 | Low | 246 Ų | 246 | 155.8 Ų | 155.8 | 93% | 0.928 | 78% | 0.775 | S | S | * | * | | | trans | -74.6 | 45.2 | 168.3 | -76.3 | -176.2 | 60.2 | 106.1 | -2.1 | 111.4 | P44 R48 | P44-R46 VanDerWaalsContact C-N 3.35Å; P44-R46 PolarHBondContact O-N 3.47Å; R46-R48 PolarHBondContact O-N 3.34Å |
| 47 | S | 55.1 | Low | 58.1 | Low | 81 Ų | 81 | 160.2 Ų | 160.2 | 57% | 0.566 | 79% | 0.785 | S | S | * | * | | | trans | -80.5 | 91.3 | 167.8 | 45.7 | 0 | 0 | 0 | 0 | 109.1 | S45 | S45-S47 PolarHBondContact O-N 2.87Å; S45-S47 PolarHBondContact O-OG 2.82Å |
| 48 | R | 57.9 | Low | 58.2 | Low | 199 Ų | 199 | 157.7 Ų | 157.7 | 75% | 0.751 | 78% | 0.784 | S | S | * | * | | | trans | 42.5 | 120.2 | 146.7 | -56.8 | -174.2 | -65.7 | -143.4 | 3.8 | 118.2 | R46 R50 | R46-R48 PolarHBondContact O-N 3.34Å; R48-R50 PolarHBondContact O-N 2.83Å |
| 49 | Y | 55.7 | Low | 57.5 | Low | 227 Ų | 227 | 156.4 Ų | 156.4 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -71.4 | 30.6 | 179.1 | -125.6 | -88.2 | 0 | 0 | 0 | 114.9 | | |
| 50 | R | 60.4 | Low | 57.2 | Low | 205 Ų | 205 | 157.3 Ų | 157.3 | 77% | 0.774 | 79% | 0.787 | S | S | * | * | | | trans | -148.9 | 38.1 | -165.3 | -73.7 | -61.5 | -178 | -93 | 7.6 | 114.8 | R48 | R48-R50 PolarHBondContact O-N 2.83Š|
| 51 | D | 54 | Low | 56.7 | Low | 120 Ų | 120 | 148.4 Ų | 148.4 | 64% | 0.642 | 78% | 0.775 | S | S | * | * | | | trans | -113 | 83.1 | 168.9 | -68.7 | -57.9 | 0 | 0 | 0 | 109 | | |
| 52 | S | 57.2 | Low | 56 | Low | 113 Ų | 113 | 146.8 Ų | 146.8 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | | | trans | -154.4 | 50.6 | -177.7 | -57.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 53 | V | 58.2 | Low | 55.6 | Low | 136 Ų | 136 | 146.1 Ų | 146.1 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | | | trans | -139.8 | 44.1 | 172.2 | -73.1 | 0 | 0 | 0 | 0 | 111.6 | S55 | V53-S55 PolarHBondContact O-N 2.89Å; V53-S55 VanDerWaalsContact O-N 3.12Å |
| 54 | S | 53.4 | Low | 54.7 | Low | 124 Ų | 124 | 146 Ų | 146 | 87% | 0.867 | 78% | 0.776 | S | S | * | * | | | trans | -83.2 | 71.9 | 165.4 | -64.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 55 | S | 52.7 | Low | 54.3 | Low | 112 Ų | 112 | 150.3 Ų | 150.3 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | | | trans | -143.1 | 66.1 | 177.7 | -56.4 | 0 | 0 | 0 | 0 | 109.3 | V53 E57 | V53-S55 PolarHBondContact O-N 2.89Å; V53-S55 VanDerWaalsContact O-N 3.12Å; S55-E57 PolarHBondContact O-N 3.3Å |
| 56 | T | 54.2 | Low | 53.1 | Low | 142 Ų | 142 | 155.3 Ų | 155.3 | 87% | 0.871 | 80% | 0.796 | S | S | * | * | | | trans | -90.6 | 83.3 | 167.3 | 171.7 | 0 | 0 | 0 | 0 | 108 | | |
| 57 | E | 57.7 | Low | 51.8 | Low | 185 Ų | 185 | 148.6 Ų | 148.6 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | | | trans | -68 | 165.8 | 158.9 | 63.5 | -179.9 | 154.2 | 0 | 0 | 110.5 | S55 | S55-E57 PolarHBondContact O-N 3.3Š|
| 58 | G | 60.6 | Low | 51.4 | Low | 69 Ų | 69 | 150.1 Ų | 150.1 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | | | trans | 92.1 | 77.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 59 | D | 43.9 | Very low | 50.5 | Low | 162 Ų | 162 | 146.3 Ų | 146.3 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | | | trans | -108.2 | 99.6 | 156 | -175.8 | 39.8 | 0 | 0 | 0 | 108 | G61 | D59-G61 VanDerWaalsContact C-N 3.3Å; D59-G61 PolarHBondContact O-N 2.98Å |
| 60 | D | 52.1 | Low | 49.7 | Very low | 128 Ų | 128 | 143.1 Ų | 143.1 | 68% | 0.684 | 79% | 0.787 | S | S | * | * | | | trans | -80.1 | 74.5 | -177.6 | -81.7 | -63 | 0 | 0 | 0 | 111.2 | F62 | D60-F62 HydrophobicContact CB-CE2 3.98Å; D60-F62 HydrophobicContact CB-CZ 4.07Å; D60-F62 WeakPolarHBondContact O-CD2 3.33Å; D60-F62 VanDerWaalsContact O-CE2 3.29Å; D60-F62 WeakPolarHBondContact O-CE2 3.26Å; D60-F62 PolarHBondContact O-N 2.84Å; D60-F62 VanDerWaalsContact O-N 3.15Å |
| 61 | G | 48.9 | Very low | 48.4 | Very low | 70 Ų | 70 | 139.4 Ų | 139.4 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | | | trans | -76.2 | 88.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | D59 D63 | D59-G61 VanDerWaalsContact C-N 3.3Å; D59-G61 PolarHBondContact O-N 2.98Å; G61-D63 PolarHBondContact O-N 3.03Å |
| 62 | F | 51.1 | Low | 47.7 | Very low | 184 Ų | 184 | 138.3 Ų | 138.3 | 81% | 0.807 | 80% | 0.8 | S | S | * | * | | | trans | -71.5 | 106.3 | -179.3 | -55.7 | -90.7 | 0 | 0 | 0 | 113.6 | D60 | D60-F62 HydrophobicContact CB-CE2 3.98Å; D60-F62 HydrophobicContact CB-CZ 4.07Å; D60-F62 WeakPolarHBondContact O-CD2 3.33Å; D60-F62 VanDerWaalsContact O-CE2 3.29Å; D60-F62 WeakPolarHBondContact O-CE2 3.26Å; D60-F62 PolarHBondContact O-N 2.84Å; D60-F62 VanDerWaalsContact O-N 3.15Å |
| 63 | D | 46.6 | Very low | 46.9 | Very low | 144 Ų | 144 | 143.1 Ų | 143.1 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | | | trans | -143.4 | 105.1 | 156.2 | -130.7 | -33.7 | 0 | 0 | 0 | 114.7 | G61 | G61-D63 PolarHBondContact O-N 3.03Š|
| 64 | R | 49.8 | Very low | 45.8 | Very low | 220 Ų | 220 | 141.9 Ų | 141.9 | 83% | 0.83 | 80% | 0.798 | S | S | * | * | | | trans | 49.5 | 101.3 | 133.3 | -169.5 | 179 | -117.1 | -114.2 | 3.4 | 120.2 | | |
| 65 | K | 49.3 | Very low | 45.4 | Very low | 194 Ų | 194 | 140.9 Ų | 140.9 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | | | trans | 63.5 | 100.7 | 137.4 | -69.1 | -101.2 | -171.6 | 174.5 | 0 | 118.3 | | |
| 66 | E | 33.3 | Very low | 44.5 | Very low | 200 Ų | 200 | 142.9 Ų | 142.9 | 94% | 0.935 | 79% | 0.79 | S | S | * | * | | | | -169.5 | -163.9 | 103.1 | 54.1 | -163.8 | 165.1 | 0 | 0 | 112 | | |
| 67 | S | 35.4 | Very low | 43.8 | Very low | 105 Ų | 105 | 145 Ų | 145 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | | | trans | -149.8 | 176.3 | -162.3 | 74.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 68 | P | 47.1 | Very low | 42.9 | Very low | 114 Ų | 114 | 144.6 Ų | 144.6 | 74% | 0.74 | 79% | 0.792 | S | S | * | * | | | cis | -130 | -154.5 | -14.6 | 26.2 | -1.4 | 0 | 0 | 0 | 112 | | |
| 69 | V | 38.8 | Very low | 41.7 | Very low | 118 Ų | 118 | 145.5 Ų | 145.5 | 72% | 0.715 | 79% | 0.793 | S | S | * | * | | | trans | 87.8 | 89.4 | 159.1 | -164.5 | 0 | 0 | 0 | 0 | 119 | | |
| 70 | Q | 40.3 | Very low | 41.5 | Very low | 160 Ų | 160 | 146.8 Ų | 146.8 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | | | trans | 49.4 | 97.8 | 135.8 | -56.3 | -172.6 | 36.7 | 0 | 0 | 120 | | |
| 71 | S | 32.6 | Very low | 40.8 | Very low | 128 Ų | 128 | 152.5 Ų | 152.5 | 90% | 0.895 | 81% | 0.808 | S | S | * | * | | | trans | -64.1 | 141 | 154.8 | -178.9 | 0 | 0 | 0 | 0 | 111.8 | R73 | S71-R73 PolarHBondContact O-N 3.36Š|
| 72 | A | 39.4 | Very low | 40 | Very low | 96 Ų | 96 | 152.3 Ų | 152.3 | 79% | 0.793 | 81% | 0.806 | S | S | * | * | | | trans | -91.6 | 96.7 | -167.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 73 | R | 40.3 | Very low | 39.3 | Very low | 214 Ų | 214 | 148.9 Ų | 148.9 | 81% | 0.808 | 81% | 0.805 | S | S | * | * | | | trans | 26.5 | 124.4 | 143.2 | -80.3 | -171.3 | 175.3 | 91.5 | -0.7 | 120.8 | S71 | S71-R73 PolarHBondContact O-N 3.36Š|
| 74 | S | 33.6 | Very low | 38.6 | Very low | 111 Ų | 111 | 147.5 Ų | 147.5 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | | | trans | 77.8 | 160.6 | 131.3 | -134.2 | 0 | 0 | 0 | 0 | 117.2 | | |
| 75 | P | 45 | Very low | 38.9 | Very low | 102 Ų | 102 | 143 Ų | 143 | 66% | 0.662 | 81% | 0.806 | S | S | * | * | | | cis | -109 | 168 | 1.3 | 41.9 | -29.5 | 0 | 0 | 0 | 113.2 | | |
| 76 | L | 34.4 | Very low | 38 | Very low | 155 Ų | 155 | 139.2 Ų | 139.2 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | | | | -143.2 | 150.1 | 51 | -74.6 | 161 | 0 | 0 | 0 | 115.1 | L78 | L76-L78 PolarHBondContact O-N 3.23Š|
| 77 | H | 40.7 | Very low | 39 | Very low | 186 Ų | 186 | 134.5 Ų | 134.5 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | | | trans | -23.1 | 112.7 | 172.4 | -67.5 | -112.8 | 0 | 0 | 0 | 117.1 | | |
| 78 | L | 38 | Very low | 39 | Very low | 176 Ų | 176 | 136.6 Ų | 136.6 | 92% | 0.921 | 79% | 0.794 | S | S | * | * | | | trans | -102.6 | 126.3 | 156.5 | -117.1 | 162 | 0 | 0 | 0 | 108.7 | L76 | L76-L78 PolarHBondContact O-N 3.23Š|
| 79 | A | 35 | Very low | 38.8 | Very low | 89 Ų | 89 | 139.8 Ų | 139.8 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | | | trans | -78 | 156.1 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | R81 | A79-R81 PolarHBondContact O-N 3.02Š|
| 80 | M | 40.5 | Very low | 39.2 | Very low | 189 Ų | 189 | 142.1 Ų | 142.1 | 93% | 0.931 | 81% | 0.811 | S | S | * | * | | | trans | -14.6 | 114.7 | 170 | -61.9 | -79.8 | 85.1 | 0 | 0 | 116.3 | | |
| 81 | R | 36.3 | Very low | 39.1 | Very low | 248 Ų | 248 | 140.7 Ų | 140.7 | 94% | 0.936 | 81% | 0.813 | S | S | * | * | | | trans | -126.7 | 110.6 | 160.5 | -159.6 | 175 | -160.9 | -127 | 0.6 | 110.4 | A79 | A79-R81 PolarHBondContact O-N 3.02Š|
| 82 | G | 33.2 | Very low | 39.1 | Very low | 65 Ų | 65 | 140 Ų | 140 | 67% | 0.67 | 81% | 0.808 | S | S | * | * | | | trans | -75.1 | 151.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 83 | S | 35.6 | Very low | 39.1 | Very low | 113 Ų | 113 | 140.8 Ų | 140.8 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | | | trans | -5.6 | 124 | 154.5 | 54.5 | 0 | 0 | 0 | 0 | 119.1 | | |
| 84 | S | 32.3 | Very low | 38.9 | Very low | 115 Ų | 115 | 141.6 Ų | 141.6 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | | | | 143.7 | 148.6 | 115.9 | -73.8 | 0 | 0 | 0 | 0 | 114.4 | | |
| 85 | P | 55.8 | Low | 39.2 | Very low | 125 Ų | 125 | 141.3 Ų | 141.3 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | | | trans | -107.4 | 145 | 179.9 | 38.5 | -31.2 | 0 | 0 | 0 | 114.5 | | |
| 86 | S | 31 | Very low | 39.2 | Very low | 114 Ų | 114 | 142.3 Ų | 142.3 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | | | trans | -167.1 | 145.4 | 153.3 | -171 | 0 | 0 | 0 | 0 | 109.9 | | |
| 87 | P | 54.2 | Low | 39.3 | Very low | 102 Ų | 102 | 139.3 Ų | 139.3 | 66% | 0.662 | 81% | 0.813 | S | S | * | * | | | trans | -90.3 | -175.4 | 172.3 | 38.1 | -36.2 | 0 | 0 | 0 | 113 | | |
| 88 | D | 35.4 | Very low | 39 | Very low | 149 Ų | 149 | 140.6 Ų | 140.6 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | | | trans | 62.7 | 101.4 | 162.4 | -58.9 | -21.6 | 0 | 0 | 0 | 120.1 | | |
| 89 | L | 41.8 | Very low | 39 | Very low | 180 Ų | 180 | 136.9 Ų | 136.9 | 94% | 0.942 | 81% | 0.805 | S | S | * | * | | | trans | -143 | 142.4 | 131.9 | -82.5 | -171.3 | 0 | 0 | 0 | 110.9 | | |
| 90 | L | 48.8 | Very low | 39.3 | Very low | 167 Ų | 167 | 141.9 Ų | 141.9 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | | | trans | -98.5 | -178.4 | 177.9 | -69.4 | 169 | 0 | 0 | 0 | 111.7 | | |
| 91 | V | 38 | Very low | 38.9 | Very low | 130 Ų | 130 | 139 Ų | 139 | 79% | 0.788 | 80% | 0.799 | S | S | * | * | | | trans | 94.5 | 112 | 161.7 | -172.3 | 0 | 0 | 0 | 0 | 117.7 | | |
| 92 | S | 32.6 | Very low | 39.1 | Very low | 115 Ų | 115 | 131.7 Ų | 131.7 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | | | trans | 60.3 | 136.6 | 154.2 | -63.6 | 0 | 0 | 0 | 0 | 119.2 | | |
| 93 | S | 39.1 | Very low | 39.5 | Very low | 111 Ų | 111 | 132.1 Ų | 132.1 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | | | cis | -150 | 119.5 | 44 | 58.3 | 0 | 0 | 0 | 0 | 117.4 | | |
| 94 | R | 36 | Very low | 39.7 | Very low | 232 Ų | 232 | 135.1 Ų | 135.1 | 88% | 0.875 | 79% | 0.79 | S | S | * | * | | | | 54.3 | 97.9 | 128.5 | -150.8 | 176.6 | -159.4 | -135.2 | 4.7 | 121.1 | | |
| 95 | S | 40.4 | Very low | 39.9 | Very low | 104 Ų | 104 | 132.9 Ų | 132.9 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | | | trans | 76.6 | 162.1 | 135.1 | 78 | 0 | 0 | 0 | 0 | 120.5 | | |
| 96 | P | 44.1 | Very low | 39.4 | Very low | 123 Ų | 123 | 138.7 Ų | 138.7 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | | | cis | -113 | 156.2 | -9.9 | 38.3 | -27.1 | 0 | 0 | 0 | 113.5 | | |
| 97 | A | 35.8 | Very low | 39.8 | Very low | 93 Ų | 93 | 144.3 Ų | 144.3 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | | | trans | -87.7 | 150.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 98 | F | 35.4 | Very low | 39 | Very low | 213 Ų | 213 | 144.4 Ų | 144.4 | 93% | 0.934 | 80% | 0.799 | S | S | * | * | | | trans | -122.5 | 113.6 | 148.8 | -134.6 | -84.3 | 0 | 0 | 0 | 107.4 | | |
| 99 | S | 38.6 | Very low | 39.5 | Very low | 98 Ų | 98 | 142.2 Ų | 142.2 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | | | trans | -102.7 | 147 | 178.9 | -174.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 100 | F | 39.8 | Very low | 39.6 | Very low | 193 Ų | 193 | 141.5 Ų | 141.5 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | | | trans | -123.7 | 114.8 | 152.6 | 56.6 | -92 | 0 | 0 | 0 | 108.4 | | |
| 101 | D | 33.9 | Very low | 38.9 | Very low | 129 Ų | 129 | 140.8 Ų | 140.8 | 69% | 0.69 | 78% | 0.781 | S | S | * | * | | | trans | -80.1 | 133.2 | 166.3 | -177 | 6 | 0 | 0 | 0 | 108.3 | S103 | D101-S103 WeakPolarHBondContact OD1-CB 3.2Å; D101-S103 PolarHBondContact OD1-N 3.31Å; D101-S103 PolarHBondContact OD1-OG 3.47Å; D101-S103 PolarHBondContact OD2-OG 3.33Å |
| 102 | A | 38.4 | Very low | 38.9 | Very low | 94 Ų | 94 | 143.4 Ų | 143.4 | 78% | 0.777 | 79% | 0.785 | S | S | * | * | | | trans | -142.4 | 40.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 103 | S | 42.2 | Very low | 38.9 | Very low | 74 Ų | 74 | 141.6 Ų | 141.6 | 52% | 0.517 | 78% | 0.784 | S | S | . | * | | | trans | -66.2 | 146.7 | 172.2 | 56.7 | 0 | 0 | 0 | 0 | 111.5 | D101 | D101-S103 WeakPolarHBondContact OD1-CB 3.2Å; D101-S103 PolarHBondContact OD1-N 3.31Å; D101-S103 PolarHBondContact OD1-OG 3.47Å; D101-S103 PolarHBondContact OD2-OG 3.33Å |
| 104 | L | 39.7 | Very low | 38.9 | Very low | 176 Ų | 176 | 141.1 Ų | 141.1 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | | | trans | 66.2 | 125.9 | 173.5 | -63.7 | 151.1 | 0 | 0 | 0 | 116.1 | | |
| 105 | G | 37.8 | Very low | 38.9 | Very low | 69 Ų | 69 | 135.3 Ų | 135.3 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | | | cis | -175.4 | 175.4 | -2 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 106 | R | 45.3 | Very low | 39 | Very low | 247 Ų | 247 | 138.2 Ų | 138.2 | 93% | 0.932 | 79% | 0.789 | S | S | * | * | | | trans | -71.3 | 133.5 | 172.3 | -62.3 | -150.2 | -72.1 | -126.5 | 7 | 110.1 | | |
| 107 | R | 38.5 | Very low | 38.8 | Very low | 232 Ų | 232 | 139 Ų | 139 | 88% | 0.875 | 79% | 0.791 | S | S | * | * | | | | -173.5 | 120.4 | 128.7 | -102.3 | -165.7 | -57.8 | 174.5 | 6.5 | 111.2 | | |
| 108 | S | 37.1 | Very low | 39.2 | Very low | 104 Ų | 104 | 138.8 Ų | 138.8 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | | | trans | -66.7 | 150.7 | 131.6 | -127.9 | 0 | 0 | 0 | 0 | 106.8 | | |
| 109 | P | 46.3 | Very low | 39.9 | Very low | 102 Ų | 102 | 134 Ų | 134 | 66% | 0.662 | 78% | 0.779 | S | S | * | * | | | | -137.9 | -174.3 | 62.7 | 33.5 | -12.6 | 0 | 0 | 0 | 115.5 | | |
| 110 | E | 42.8 | Very low | 40.8 | Very low | 166 Ų | 166 | 135.2 Ų | 135.2 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | | | trans | -63.9 | 169.7 | -177.5 | 45.2 | -95.1 | 47 | 0 | 0 | 118.3 | | |
| 111 | D | 35.6 | Very low | 41.6 | Very low | 151 Ų | 151 | 138.3 Ų | 138.3 | 81% | 0.807 | 79% | 0.791 | S | S | * | * | | | trans | 114.1 | 164 | 149.6 | -147 | 19.8 | 0 | 0 | 0 | 120.1 | | |
| 112 | E | 37.3 | Very low | 42.2 | Very low | 186 Ų | 186 | 135 Ų | 135 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | | | trans | -49 | 155.5 | -163.9 | -79.6 | -167.3 | 67.7 | 0 | 0 | 119.4 | | |
| 113 | G | 33.1 | Very low | 43.5 | Very low | 76 Ų | 76 | 141.5 Ų | 141.5 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | | | trans | 153.4 | 118.9 | 157.3 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 114 | A | 39.1 | Very low | 43.7 | Very low | 102 Ų | 102 | 148.5 Ų | 148.5 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | | | trans | -85.8 | 123.9 | -179 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 115 | S | 35.4 | Very low | 44.8 | Very low | 110 Ų | 110 | 148.4 Ų | 148.4 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | | | trans | -164.9 | 146.2 | 151.8 | -110.6 | 0 | 0 | 0 | 0 | 116.7 | | |
| 116 | L | 42.1 | Very low | 45.8 | Very low | 165 Ų | 165 | 153.4 Ų | 153.4 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | | | trans | 56.7 | 112 | 158.2 | -53.4 | -172.7 | 0 | 0 | 0 | 119.7 | A118 | L116-A118 PolarHBondContact O-N 3.17Š|
| 117 | V | 41.5 | Very low | 46.4 | Very low | 140 Ų | 140 | 149.6 Ų | 149.6 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 118.1 | 169.3 | 176.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 118 | A | 44 | Very low | 47.2 | Very low | 87 Ų | 87 | 144.4 Ų | 144.4 | 72% | 0.719 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 125.7 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | L116 | L116-A118 PolarHBondContact O-N 3.17Š|
| 119 | P | 49.5 | Very low | 47.6 | Very low | 112 Ų | 112 | 147.3 Ų | 147.3 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 125.1 | -177.8 | 28.5 | -33.5 | 0 | 0 | 0 | 111.5 | R121 | P119-R121 PolarHBondContact O-N 3.27Š|
| 120 | P | 57.8 | Low | 47.5 | Very low | 125 Ų | 125 | 147 Ų | 147 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | | | trans | -70.9 | 102.2 | -178 | 27.7 | -34.2 | 0 | 0 | 0 | 111.3 | G122 | P120-G122 PolarHBondContact O-N 2.95Š|
| 121 | R | 56.8 | Low | 47.8 | Very low | 258 Ų | 258 | 145.9 Ų | 145.9 | 97% | 0.974 | 82% | 0.817 | S | S | * | * | | | trans | -77.5 | 55.4 | 177.3 | -135.8 | -175.1 | -170.1 | -143.1 | 4 | 112.4 | P119 | P119-R121 PolarHBondContact O-N 3.27Š|
| 122 | G | 45.7 | Very low | 48.1 | Very low | 60 Ų | 60 | 144 Ų | 144 | 62% | 0.619 | 82% | 0.816 | S | S | * | * | | | trans | -118.2 | 102.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | P120 Y124 | P120-G122 PolarHBondContact O-N 2.95Å; G122-Y124 VanDerWaalsContact C-N 3.32Å; G122-Y124 PolarHBondContact O-N 3.47Å |
| 123 | R | 66.9 | Low | 48.4 | Very low | 229 Ų | 229 | 143.3 Ų | 143.3 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | | | trans | -80.6 | 69.2 | -177.2 | -68.4 | -175.2 | -63.4 | -145.2 | -3.3 | 113.2 | | |
| 124 | Y | 44.7 | Very low | 49.2 | Very low | 221 Ų | 221 | 148.8 Ų | 148.8 | 87% | 0.867 | 82% | 0.818 | S | S | * | * | | | trans | -142.1 | 108.8 | 160.8 | -88.2 | -76.2 | 0 | 0 | 0 | 110.3 | G122 Q126 | G122-Y124 VanDerWaalsContact C-N 3.32Å; G122-Y124 PolarHBondContact O-N 3.47Å; Y124-Q126 PolarHBondContact O-N 3.01Å |
| 125 | H | 62.6 | Low | 49.2 | Very low | 174 Ų | 174 | 148.9 Ų | 148.9 | 81% | 0.806 | 82% | 0.818 | S | S | * | * | | | trans | -79.8 | 115.3 | 176.9 | -49.9 | -75.2 | 0 | 0 | 0 | 109.5 | | |
| 126 | Q | 58.8 | Low | 50 | Low | 175 Ų | 175 | 151.9 Ų | 151.9 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | | | trans | -78.7 | 122.7 | 167.5 | -62.9 | -170.7 | 23.1 | 0 | 0 | 108.8 | Y124 T128 | Y124-Q126 PolarHBondContact O-N 3.01Å; Q126-T128 PolarHBondContact O-N 3.43Å; Q126-T128 VanDerWaalsContact O-N 3.14Å |
| 127 | L | 59.5 | Low | 50 | Low | 167 Ų | 167 | 150.5 Ų | 150.5 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | | | trans | -83.9 | 85.2 | 179.8 | -65.5 | 176.1 | 0 | 0 | 0 | 110.2 | | |
| 128 | T | 53.7 | Low | 50.1 | Low | 122 Ų | 122 | 150.4 Ų | 150.4 | 75% | 0.748 | 82% | 0.823 | S | S | * | * | | | trans | -78.2 | 136.3 | 167.8 | 49.7 | 0 | 0 | 0 | 0 | 110.5 | Q126 A130 | Q126-T128 PolarHBondContact O-N 3.43Å; Q126-T128 VanDerWaalsContact O-N 3.14Å; T128-A130 PolarHBondContact O-N 2.8Å; T128-A130 VanDerWaalsContact O-N 3.13Å |
| 129 | N | 46.2 | Very low | 50.4 | Low | 166 Ų | 166 | 151.4 Ų | 151.4 | 89% | 0.888 | 82% | 0.822 | S | S | * | * | | | trans | -69.7 | 108.1 | 179.2 | -61.9 | -69.5 | 0 | 0 | 0 | 110.7 | T131 | N129-T131 PolarHBondContact O-N 3.39Š|
| 130 | A | 44.8 | Very low | 50.4 | Low | 96 Ų | 96 | 151.7 Ų | 151.7 | 79% | 0.793 | 83% | 0.827 | S | S | * | * | | | trans | -88 | 101 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | T128 | T128-A130 PolarHBondContact O-N 2.8Å; T128-A130 VanDerWaalsContact O-N 3.13Å |
| 131 | T | 49.9 | Very low | 49.6 | Very low | 142 Ų | 142 | 151 Ų | 151 | 87% | 0.871 | 83% | 0.825 | S | S | * | * | | | trans | -83.6 | 125.3 | 150 | -176 | 0 | 0 | 0 | 0 | 107.2 | N129 | N129-T131 PolarHBondContact O-N 3.39Š|
| 132 | S | 40.5 | Very low | 49 | Very low | 110 Ų | 110 | 143.7 Ų | 143.7 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | | | trans | -153.8 | 140.4 | 176.3 | -163.5 | 0 | 0 | 0 | 0 | 108.6 | | |
| 133 | Q | 44.9 | Very low | 49 | Very low | 173 Ų | 173 | 146.8 Ų | 146.8 | 81% | 0.808 | 82% | 0.822 | S | S | * | * | | | trans | -87.4 | 162 | -176 | -72 | 169.6 | -50.5 | 0 | 0 | 111.5 | | |
| 134 | E | 48.5 | Very low | 47.8 | Very low | 190 Ų | 190 | 141.4 Ų | 141.4 | 89% | 0.888 | 82% | 0.82 | S | S | * | * | | | trans | 25.2 | 108.8 | 149 | -59.6 | -174.5 | 157 | 0 | 0 | 119.3 | | |
| 135 | A | 38.6 | Very low | 47.8 | Very low | 104 Ų | 104 | 140.8 Ų | 140.8 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | | | trans | -148.1 | 133.4 | 139.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 136 | L | 54 | Low | 46.8 | Very low | 174 Ų | 174 | 138 Ų | 138 | 91% | 0.911 | 82% | 0.822 | S | S | * | * | | | trans | -80.1 | 131.4 | 170.4 | -64.4 | 168 | 0 | 0 | 0 | 109.4 | | |
| 137 | V | 41.3 | Very low | 46.1 | Very low | 136 Ų | 136 | 135.1 Ų | 135.1 | 82% | 0.824 | 82% | 0.82 | S | S | * | * | | | trans | -174.7 | 133.8 | 144.3 | 141.3 | 0 | 0 | 0 | 0 | 108.9 | | |
| 138 | T | 43.8 | Very low | 45.5 | Very low | 138 Ų | 138 | 133.3 Ų | 133.3 | 85% | 0.847 | 82% | 0.818 | S | S | * | * | | | trans | -99.9 | 126.6 | 174.9 | -43.5 | 0 | 0 | 0 | 0 | 110.5 | | |
| 139 | P | 49.6 | Very low | 45 | Very low | 107 Ų | 107 | 132.8 Ų | 132.8 | 70% | 0.695 | 82% | 0.819 | S | S | * | * | | | trans | -107.9 | 119.4 | 153.6 | 32.7 | -25.8 | 0 | 0 | 0 | 110.5 | S141 | P139-S141 PolarHBondContact O-N 2.98Š|
| 140 | S | 49.1 | Very low | 45.1 | Very low | 119 Ų | 119 | 129.3 Ų | 129.3 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | | | trans | -68.9 | 128.4 | 173.6 | -177.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 141 | S | 42.8 | Very low | 45.1 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | | | trans | -151.4 | 141.8 | 162.2 | 58.1 | 0 | 0 | 0 | 0 | 110.3 | P139 | P139-S141 PolarHBondContact O-N 2.98Š|
| 142 | S | 42.5 | Very low | 44.7 | Very low | 104 Ų | 104 | 131.4 Ų | 131.4 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | | | trans | -85.3 | 145.4 | -160.8 | -49.6 | 0 | 0 | 0 | 0 | 114 | S144 | S142-S144 PolarHBondContact O-N 3.46Å; S142-S144 VanDerWaalsContact O-N 3.16Å |
| 143 | P | 47.5 | Very low | 44.8 | Very low | 124 Ų | 124 | 130.8 Ų | 130.8 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | | | trans | -75.4 | 101.4 | 168.3 | 30.8 | -32.5 | 0 | 0 | 0 | 110.3 | K145 | P143-K145 PolarHBondContact O-N 3.01Š|
| 144 | S | 40.2 | Very low | 44.9 | Very low | 117 Ų | 117 | 128.4 Ų | 128.4 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | trans | -60.7 | 116.1 | 175.5 | -63.8 | 0 | 0 | 0 | 0 | 111.5 | S142 S146 | S142-S144 PolarHBondContact O-N 3.46Å; S142-S144 VanDerWaalsContact O-N 3.16Å; S144-S146 PolarHBondContact O-N 2.88Å |
| 145 | K | 45.9 | Very low | 44.6 | Very low | 207 Ų | 207 | 125.4 Ų | 125.4 | 90% | 0.9 | 80% | 0.799 | S | S | * | * | | | trans | -65.7 | 120.9 | 165.2 | -71.4 | 178.9 | 176.5 | 177.7 | 0 | 109.1 | P143 | P143-K145 PolarHBondContact O-N 3.01Š|
| 146 | S | 40.9 | Very low | 44.8 | Very low | 115 Ų | 115 | 130.1 Ų | 130.1 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | trans | -117.6 | 131.1 | 158.4 | 52.3 | 0 | 0 | 0 | 0 | 109.3 | S144 | S144-S146 PolarHBondContact O-N 2.88Š|
| 147 | C | 44.5 | Very low | 44.6 | Very low | 116 Ų | 116 | 130 Ų | 130 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | | | trans | -79.1 | 155.9 | -177.4 | -63.4 | 0 | 0 | 0 | 0 | 111.4 | S149 | C147-S149 PolarHBondContact O-N 3.44Š|
| 148 | P | 46.6 | Very low | 44.8 | Very low | 129 Ų | 129 | 134.5 Ų | 134.5 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | | | trans | -73.2 | 114.6 | 172.4 | 29.7 | -33 | 0 | 0 | 0 | 111 | | |
| 149 | S | 42.2 | Very low | 45 | Very low | 110 Ų | 110 | 138.3 Ų | 138.3 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | | | trans | -79.5 | 109.2 | 151.5 | 53.8 | 0 | 0 | 0 | 0 | 107.3 | C147 | C147-S149 PolarHBondContact O-N 3.44Š|
| 150 | S | 48.5 | Very low | 44.5 | Very low | 93 Ų | 93 | 140.4 Ų | 140.4 | 65% | 0.65 | 80% | 0.8 | S | S | * | * | | | | 69.9 | 127.5 | 80.5 | -141.9 | 0 | 0 | 0 | 0 | 113.5 | | |
| 151 | D | 46.2 | Very low | 44.2 | Very low | 148 Ų | 148 | 146.2 Ų | 146.2 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | | | trans | 60 | 91.4 | 159.9 | -52 | -59 | 0 | 0 | 0 | 119.9 | | |
| 152 | C | 41.1 | Very low | 44.2 | Very low | 134 Ų | 134 | 151.8 Ų | 151.8 | 91% | 0.905 | 81% | 0.807 | S | S | * | * | | | | -157 | 111.8 | 114.3 | -160 | 0 | 0 | 0 | 0 | 111.3 | | |
| 153 | S | 42 | Very low | 44.7 | Very low | 98 Ų | 98 | 151.6 Ų | 151.6 | 69% | 0.685 | 80% | 0.803 | S | S | * | * | | | trans | -125.2 | 116.9 | 176.9 | -176.5 | 0 | 0 | 0 | 0 | 110.5 | V155 | S153-V155 PolarHBondContact O-N 3.43Š|
| 154 | P | 48 | Very low | 44.3 | Very low | 123 Ų | 123 | 152.8 Ų | 152.8 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | | | trans | -79.7 | 88.3 | -176.6 | 31.3 | -34.1 | 0 | 0 | 0 | 112.1 | | |
| 155 | V | 40.8 | Very low | 44.7 | Very low | 126 Ų | 126 | 152.6 Ų | 152.6 | 76% | 0.764 | 80% | 0.802 | S | S | * | * | | | trans | 38.8 | 90.9 | 147.6 | -169.3 | 0 | 0 | 0 | 0 | 116.1 | S153 | S153-V155 PolarHBondContact O-N 3.43Š|
| 156 | Y | 43.8 | Very low | 44.4 | Very low | 203 Ų | 203 | 150.3 Ų | 150.3 | 80% | 0.796 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 141.5 | 162.2 | 51.7 | -91.7 | 0 | 0 | 0 | 111.1 | R158 | Y156-R158 PolarHBondContact O-N 3.45Š|
| 157 | M | 48.7 | Very low | 44.8 | Very low | 173 Ų | 173 | 150.4 Ų | 150.4 | 85% | 0.852 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 116.4 | -176.4 | -79.6 | -71.1 | -82.1 | 0 | 0 | 112.1 | R159 | M157-R159 PolarHBondContact O-N 3.32Š|
| 158 | R | 46.5 | Very low | 45 | Very low | 230 Ų | 230 | 153.3 Ų | 153.3 | 87% | 0.868 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 118.8 | -179 | 178.3 | -169.2 | -65.3 | -157.5 | -1.5 | 113 | Y156 | Y156-R158 PolarHBondContact O-N 3.45Š|
| 159 | R | 47.7 | Very low | 44.8 | Very low | 218 Ų | 218 | 153 Ų | 153 | 82% | 0.823 | 79% | 0.792 | S | S | * | * | | | trans | -140.1 | 107.3 | 150.9 | -74.4 | -162.6 | -179.1 | 90.1 | -0.2 | 112.5 | M157 | M157-R159 PolarHBondContact O-N 3.32Š|
| 160 | N | 39 | Very low | 45.1 | Very low | 151 Ų | 151 | 153.5 Ų | 153.5 | 81% | 0.807 | 80% | 0.795 | S | S | * | * | | | trans | 67.7 | 136.4 | 145.6 | -56.7 | -2.5 | 0 | 0 | 0 | 121.1 | | |
| 161 | R | 43.3 | Very low | 44.8 | Very low | 241 Ų | 241 | 156.3 Ų | 156.3 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | | | trans | -55.3 | 157.3 | 177.6 | -52.9 | 177.2 | -174.3 | -141.9 | 4.2 | 111.7 | | |
| 162 | R | 42.2 | Very low | 44.9 | Very low | 228 Ų | 228 | 155.4 Ų | 155.4 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | | | cis | -141.2 | 158 | 34.4 | -88.1 | -174.4 | 171.8 | 177.2 | -4 | 113.7 | | |
| 163 | P | 53.7 | Low | 45.4 | Very low | 99 Ų | 99 | 154.6 Ų | 154.6 | 64% | 0.643 | 80% | 0.799 | S | S | * | * | | | trans | -82.4 | -176.4 | 153.2 | 38.8 | -34.1 | 0 | 0 | 0 | 111.7 | | |
| 164 | D | 39.2 | Very low | 46 | Very low | 150 Ų | 150 | 161.6 Ų | 161.6 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | | | trans | 108.8 | 84.7 | 168.4 | -53.2 | -20.4 | 0 | 0 | 0 | 114.8 | | |
| 165 | S | 48.5 | Very low | 46 | Very low | 112 Ų | 112 | 162.5 Ų | 162.5 | 78% | 0.783 | 81% | 0.809 | S | S | * | * | | | trans | -153.1 | 152.6 | 130.6 | 67.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 166 | E | 39.7 | Very low | 46.2 | Very low | 160 Ų | 160 | 162.2 Ų | 162.2 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | | | trans | -79.9 | 151.7 | -160.6 | 38.2 | -86.9 | 92.5 | 0 | 0 | 116.1 | | |
| 167 | V | 47.9 | Very low | 46 | Very low | 116 Ų | 116 | 157.5 Ų | 157.5 | 70% | 0.703 | 80% | 0.804 | S | S | * | * | | | trans | 14.8 | 107.3 | 136.3 | -172.7 | 0 | 0 | 0 | 0 | 116.3 | V169 | V167-V169 HydrophobicContact CG1-CG2 3.77Š|
| 168 | L | 50.5 | Low | 46.2 | Very low | 178 Ų | 178 | 155.5 Ų | 155.5 | 93% | 0.932 | 80% | 0.804 | S | S | * | * | | | trans | -115.8 | 112.7 | 142.9 | -74.6 | 177.7 | 0 | 0 | 0 | 108.9 | | |
| 169 | V | 42.1 | Very low | 46.2 | Very low | 123 Ų | 123 | 149 Ų | 149 | 75% | 0.745 | 80% | 0.799 | S | S | * | * | | | trans | -69.3 | 153.8 | 172.1 | 171.5 | 0 | 0 | 0 | 0 | 109.2 | V167 | V167-V169 HydrophobicContact CG1-CG2 3.77Š|
| 170 | S | 47.8 | Very low | 46.2 | Very low | 119 Ų | 119 | 144.7 Ų | 144.7 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | | | trans | -54.6 | 136.1 | 174.9 | -48.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 171 | D | 43.3 | Very low | 46.8 | Very low | 153 Ų | 153 | 143.9 Ų | 143.9 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -135.7 | 166.3 | 151.9 | -156 | -5.2 | 0 | 0 | 0 | 109.7 | | |
| 172 | T | 48.2 | Very low | 47.1 | Very low | 129 Ų | 129 | 135.4 Ų | 135.4 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | | | trans | -102.6 | 134.6 | -164.4 | 67.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 173 | S | 50.9 | Low | 47.3 | Very low | 117 Ų | 117 | 128.3 Ų | 128.3 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | | | trans | -147.2 | 135.3 | 153.4 | 61.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 174 | R | 54.2 | Low | 47.1 | Very low | 245 Ų | 245 | 129.3 Ų | 129.3 | 93% | 0.925 | 78% | 0.775 | S | S | * | * | | | trans | -96 | 135.7 | 144.6 | -59.9 | 178.9 | -178 | 179.6 | 1 | 105.1 | | |
| 175 | D | 47.1 | Very low | 47.9 | Very low | 142 Ų | 142 | 127.5 Ų | 127.5 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | | | | 176.6 | 169.4 | 111.3 | -155.5 | 4 | 0 | 0 | 0 | 111.2 | | |
| 176 | T | 45.3 | Very low | 48.7 | Very low | 120 Ų | 120 | 125.3 Ų | 125.3 | 74% | 0.736 | 75% | 0.751 | S | S | * | * | | | trans | 54.5 | 90.3 | 161.6 | 56.1 | 0 | 0 | 0 | 0 | 118.5 | | |
| 177 | S | 41.3 | Very low | 49.9 | Very low | 104 Ų | 104 | 123.7 Ų | 123.7 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | | | | -173 | 121.2 | 123 | -175.9 | 0 | 0 | 0 | 0 | 111.7 | A179 | S177-A179 PolarHBondContact O-N 3.41Š|
| 178 | P | 51.2 | Low | 50.8 | Low | 131 Ų | 131 | 123.2 Ų | 123.2 | 85% | 0.851 | 74% | 0.74 | S | S | * | * | | | trans | -78.4 | 95.8 | 163.6 | 32 | -29.9 | 0 | 0 | 0 | 109.3 | D180 | P178-D180 PolarHBondContact O-N 2.95Š|
| 179 | A | 48 | Very low | 51.8 | Low | 93 Ų | 93 | 117.8 Ų | 117.8 | 77% | 0.769 | 71% | 0.712 | S | S | * | * | | | trans | -68.9 | 101.2 | 179 | 0 | 0 | 0 | 0 | 0 | 111.7 | S177 | S177-A179 PolarHBondContact O-N 3.41Š|
| 180 | D | 47.5 | Very low | 53.3 | Low | 128 Ų | 128 | 121.7 Ų | 121.7 | 68% | 0.684 | 72% | 0.719 | S | S | * | * | | | trans | 19.7 | 117 | 152.8 | -171.4 | 20.6 | 0 | 0 | 0 | 117.7 | P178 G182 | P178-D180 PolarHBondContact O-N 2.95Å; D180-G182 PolarHBondContact O-N 3.18Å |
| 181 | P | 51.2 | Low | 54.5 | Low | 134 Ų | 134 | 123.1 Ų | 123.1 | 87% | 0.87 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -71.3 | 28.2 | 179.2 | 32.8 | -37.6 | 0 | 0 | 0 | 114.8 | S183 | P181-S183 VanDerWaalsContact C-N 3.32Å; P181-S183 PolarHBondContact O-N 2.8Å |
| 182 | G | 48.9 | Very low | 56 | Low | 62 Ų | 62 | 117.8 Ų | 117.8 | 64% | 0.639 | 68% | 0.683 | S | S | * | * | | | trans | -80.3 | 8.6 | -177 | 0 | 0 | 0 | 0 | 0 | 116.4 | D180 | D180-G182 PolarHBondContact O-N 3.18Š|
| 183 | S | 46.3 | Very low | 57.3 | Low | 80 Ų | 80 | 118 Ų | 118 | 56% | 0.559 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -138.1 | 128.1 | 176.3 | 65.8 | 0 | 0 | 0 | 0 | 113.4 | P181 T185 | P181-S183 VanDerWaalsContact C-N 3.32Å; P181-S183 PolarHBondContact O-N 2.8Å; S183-T185 VanDerWaalsContact C-N 3.29Å; S183-T185 PolarHBondContact O-N 3.24Å |
| 184 | P | 51.1 | Low | 58.7 | Low | 120 Ų | 120 | 120.6 Ų | 120.6 | 78% | 0.779 | 67% | 0.665 | S | S | * | * | | | trans | -72.9 | 87.6 | 174.1 | 30.3 | -33.5 | 0 | 0 | 0 | 109 | V186 | P184-V186 PolarHBondContact O-N 3.33Š|
| 185 | T | 55.2 | Low | 59.9 | Low | 111 Ų | 111 | 117 Ų | 117 | 68% | 0.681 | 65% | 0.652 | S | S | * | * | | | trans | -67.8 | 84.5 | 170.5 | -64.8 | 0 | 0 | 0 | 0 | 108.2 | S183 V187 | S183-T185 VanDerWaalsContact C-N 3.29Å; S183-T185 PolarHBondContact O-N 3.24Å; T185-V187 PolarHBondContact O-N 3.47Å |
| 186 | V | 65 | Low | 61.3 | Low | 66 Ų | 66 | 115 Ų | 115 | 40% | 0.4 | 64% | 0.636 | S | S | . | * | | | trans | -62.7 | 103.7 | 178.2 | -177.8 | 0 | 0 | 0 | 0 | 107.7 | P184 F188 F196 | P184-V186 PolarHBondContact O-N 3.33Å; V186-F188 VanDerWaalsContact C-N 3.26Å; V186-F188 HydrophobicContact CB-CD1 4.33Å; V186-F188 HydrophobicContact CB-CE1 3.8Å; V186-F188 HydrophobicContact CB-CE2 4.35Å; V186-F188 HydrophobicContact CB-CZ 3.82Å; V186-F188 HydrophobicContact CG1-CD1 3.7Å; V186-F188 HydrophobicContact CG1-CE1 3.43Å; V186-F188 VanDerWaalsContact CG1-CE1 3.43Å; V186-F188 HydrophobicContact CG1-CG 4.46Å; V186-F188 HydrophobicContact CG1-CZ 4Å; V186-F188 VanDerWaalsContact O-CD2 3.23Å; V186-F188 WeakPolarHBondContact O-CD2 3.37Å; V186-F188 WeakPolarHBondContact O-CG 3.46Å; V186-F188 PolarHBondContact O-N 2.86Å; V186-F196 HydrophobicContact CG1-CE2 4.4Å; V186-F196 HydrophobicContact CG1-CZ 4.25Å |
| 187 | V | 66.1 | Low | 62.9 | Low | 127 Ų | 127 | 114.7 Ų | 114.7 | 77% | 0.77 | 63% | 0.63 | S | S | * | * | | | trans | -67.9 | 88.4 | 178 | -178.6 | 0 | 0 | 0 | 0 | 108.1 | T185 D189 | T185-V187 PolarHBondContact O-N 3.47Å; V187-D189 VanDerWaalsContact C-N 3.32Å; V187-D189 PolarHBondContact O-N 3.18Å |
| 188 | F | 66.3 | Low | 64.6 | Low | 105 Ų | 105 | 113.8 Ų | 113.8 | 46% | 0.461 | 62% | 0.617 | S | S | . | * | | | trans | -69 | 88.2 | -179.1 | -60.5 | -64.3 | 0 | 0 | 0 | 110.4 | V186 T192 K193 F196 | V186-F188 VanDerWaalsContact C-N 3.26Å; V186-F188 HydrophobicContact CB-CD1 4.33Å; V186-F188 HydrophobicContact CB-CE1 3.8Å; V186-F188 HydrophobicContact CB-CE2 4.35Å; V186-F188 HydrophobicContact CB-CZ 3.82Å; V186-F188 HydrophobicContact CG1-CD1 3.7Å; V186-F188 HydrophobicContact CG1-CE1 3.43Å; V186-F188 VanDerWaalsContact CG1-CE1 3.43Å; V186-F188 HydrophobicContact CG1-CG 4.46Å; V186-F188 HydrophobicContact CG1-CZ 4Å; V186-F188 VanDerWaalsContact O-CD2 3.23Å; V186-F188 WeakPolarHBondContact O-CD2 3.37Å; V186-F188 WeakPolarHBondContact O-CG 3.46Å; V186-F188 PolarHBondContact O-N 2.86Å; F188-T192 HydrophobicContact CD1-CG2 4.43Å; F188-K193 HydrophobicContact CB-CB 4.21Å; F188-F196 AromaticContact CD1-CD2 3.77Å; F188-F196 HydrophobicContact CD1-CD2 3.77Å; F188-F196 HydrophobicContact CD1-CE2 4.1Å; F188-F196 HydrophobicContact CD1-CG 4.13Å; F188-F196 HydrophobicContact CE1-CB 4.16Å; F188-F196 AromaticContact CE1-CD1 3.73Å; F188-F196 HydrophobicContact CE1-CD1 3.73Å; F188-F196 AromaticContact CE1-CD2 3.48Å; F188-F196 HydrophobicContact CE1-CD2 3.48Å; F188-F196 VanDerWaalsContact CE1-CD2 3.48Å; F188-F196 AromaticContact CE1-CE1 3.93Å; F188-F196 HydrophobicContact CE1-CE1 3.93Å; F188-F196 AromaticContact CE1-CE2 3.71Å; F188-F196 HydrophobicContact CE1-CE2 3.71Å; F188-F196 AromaticContact CE1-CG 3.49Å; F188-F196 HydrophobicContact CE1-CG 3.49Å; F188-F196 VanDerWaalsContact CE1-CG 3.49Å; F188-F196 AromaticContact CE1-CZ 3.92Å; F188-F196 HydrophobicContact CE1-CZ 3.92Å; F188-F196 HydrophobicContact CZ-CD1 4.28Å; F188-F196 HydrophobicContact CZ-CG 4.33Å |
| 189 | D | 70.9 | Confident | 65.9 | Low | 64 Ų | 64 | 112.7 Ų | 112.7 | 34% | 0.342 | 60% | 0.603 | S | S | . | * | | | trans | -56.2 | 162.1 | 165 | 75.8 | 24.9 | 0 | 0 | 0 | 110.8 | V187 K191 T192 K193 | V187-D189 VanDerWaalsContact C-N 3.32Å; V187-D189 PolarHBondContact O-N 3.18Å; D189-K191 PolarHBondContact O-N 3.14Å; D189-K191 VanDerWaalsContact O-N 3.16Å; D189-K191 WeakPolarHBondContact OD1-CG 3.35Å; D189-K191 PolarHBondContact OD1-N 3.29Å; D189-K191 WeakPolarHBondContact OD2-CE 3.29Å; D189-K191 IonicContact OD2-NZ 3.83Å; D189-T192 PolarHBondContact O-N 2.86Å; D189-T192 VanDerWaalsContact O-N 3.12Å; D189-T192 WeakPolarHBondContact OD1-CA 3.19Å; D189-T192 WeakPolarHBondContact OD1-CB 3.25Å; D189-T192 PolarHBondContact OD1-N 3.28Å; D189-T192 PolarHBondContact OD1-OG1 3.48Å; D189-T192 PolarHBondContact OD2-OG1 3.17Å; D189-K193 PolarHBondContact O-N 3.21Å |
| 190 | K | 74.5 | Confident | 67.4 | Low | 205 Ų | 205 | 109.6 Ų | 109.6 | 89% | 0.891 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -24.7 | -172.1 | -67.2 | 178 | 179.3 | 174.5 | 0 | 113.5 | | |
| 191 | K | 72.4 | Confident | 68.6 | Low | 150 Ų | 150 | 107.1 Ų | 107.1 | 65% | 0.652 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -36.2 | 176.1 | 56.3 | 178 | 178.6 | 178.3 | 0 | 111.4 | D189 | D189-K191 PolarHBondContact O-N 3.14Å; D189-K191 VanDerWaalsContact O-N 3.16Å; D189-K191 WeakPolarHBondContact OD1-CG 3.35Å; D189-K191 PolarHBondContact OD1-N 3.29Å; D189-K191 WeakPolarHBondContact OD2-CE 3.29Å; D189-K191 IonicContact OD2-NZ 3.83Å |
| 192 | T | 73.4 | Confident | 69.2 | Low | 40 Ų | 40 | 104.3 Ų | 104.3 | 25% | 0.245 | 55% | 0.55 | C | S | . | * | H | α-helix | trans | -80.8 | -35.1 | -176 | -57.5 | 0 | 0 | 0 | 0 | 112.1 | F188 D189 R194 R195 F196 | F188-T192 HydrophobicContact CD1-CG2 4.43Å; D189-T192 PolarHBondContact O-N 2.86Å; D189-T192 VanDerWaalsContact O-N 3.12Å; D189-T192 WeakPolarHBondContact OD1-CA 3.19Å; D189-T192 WeakPolarHBondContact OD1-CB 3.25Å; D189-T192 PolarHBondContact OD1-N 3.28Å; D189-T192 PolarHBondContact OD1-OG1 3.48Å; D189-T192 PolarHBondContact OD2-OG1 3.17Å; T192-R194 PolarHBondContact O-N 3.04Å; T192-R194 VanDerWaalsContact O-N 3.1Å; T192-R195 WeakPolarHBondContact O-CA 3.34Å; T192-R195 WeakPolarHBondContact O-CB 3.22Å; T192-R195 PolarHBondContact O-N 3.05Å; T192-F196 HydrophobicContact CG2-CD2 3.79Å; T192-F196 HydrophobicContact CG2-CE2 3.58Å; T192-F196 PolarHBondContact O-N 3.15Å |
| 193 | K | 76.3 | Confident | 70.1 | Confident | 133 Ų | 133 | 106.9 Ų | 106.9 | 58% | 0.578 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -51.2 | -36.9 | 173.5 | -174.1 | 172.1 | -179.3 | 173.3 | 0 | 112.7 | F188 D189 L197 | F188-K193 HydrophobicContact CB-CB 4.21Å; D189-K193 PolarHBondContact O-N 3.21Å; K193-L197 WeakPolarHBondContact O-CG 3.2Å; K193-L197 PolarHBondContact O-N 3.29Å |
| 194 | R | 81.1 | Confident | 71.1 | Confident | 172 Ų | 172 | 112.7 Ų | 112.7 | 65% | 0.649 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66 | -40.4 | 174.8 | -172.3 | 171.2 | 70.1 | -113.2 | 6.1 | 112.4 | T192 F196 L197 D198 | T192-R194 PolarHBondContact O-N 3.04Å; T192-R194 VanDerWaalsContact O-N 3.1Å; R194-F196 PolarHBondContact O-N 2.78Å; R194-L197 PolarHBondContact O-N 3.18Å; R194-D198 WeakPolarHBondContact O-CB 3.39Å; R194-D198 PolarHBondContact O-N 3.43Å |
| 195 | R | 77.9 | Confident | 71.9 | Confident | 171 Ų | 171 | 116.3 Ų | 116.3 | 65% | 0.645 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.2 | -38.1 | -179.1 | -62.9 | -71.2 | -73.7 | 176.6 | -6.9 | 112.3 | T192 D198 L199 | T192-R195 WeakPolarHBondContact O-CA 3.34Å; T192-R195 WeakPolarHBondContact O-CB 3.22Å; T192-R195 PolarHBondContact O-N 3.05Å; R195-D198 PolarHBondContact O-N 3.48Å; R195-L199 VanDerWaalsContact O-CB 3.26Å; R195-L199 WeakPolarHBondContact O-CB 3.46Å; R195-L199 PolarHBondContact O-N 2.73Å |
| 196 | F | 76.6 | Confident | 72.2 | Confident | 98 Ų | 98 | 114.8 Ų | 114.8 | 43% | 0.43 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -73.1 | -34.4 | 177.4 | -79.9 | -96.7 | 0 | 0 | 0 | 113 | V186 F188 T192 R194 G200 | V186-F196 HydrophobicContact CG1-CE2 4.4Å; V186-F196 HydrophobicContact CG1-CZ 4.25Å; F188-F196 AromaticContact CD1-CD2 3.77Å; F188-F196 HydrophobicContact CD1-CD2 3.77Å; F188-F196 HydrophobicContact CD1-CE2 4.1Å; F188-F196 HydrophobicContact CD1-CG 4.13Å; F188-F196 HydrophobicContact CE1-CB 4.16Å; F188-F196 AromaticContact CE1-CD1 3.73Å; F188-F196 HydrophobicContact CE1-CD1 3.73Å; F188-F196 AromaticContact CE1-CD2 3.48Å; F188-F196 HydrophobicContact CE1-CD2 3.48Å; F188-F196 VanDerWaalsContact CE1-CD2 3.48Å; F188-F196 AromaticContact CE1-CE1 3.93Å; F188-F196 HydrophobicContact CE1-CE1 3.93Å; F188-F196 AromaticContact CE1-CE2 3.71Å; F188-F196 HydrophobicContact CE1-CE2 3.71Å; F188-F196 AromaticContact CE1-CG 3.49Å; F188-F196 HydrophobicContact CE1-CG 3.49Å; F188-F196 VanDerWaalsContact CE1-CG 3.49Å; F188-F196 AromaticContact CE1-CZ 3.92Å; F188-F196 HydrophobicContact CE1-CZ 3.92Å; F188-F196 HydrophobicContact CZ-CD1 4.28Å; F188-F196 HydrophobicContact CZ-CG 4.33Å; T192-F196 HydrophobicContact CG2-CD2 3.79Å; T192-F196 HydrophobicContact CG2-CE2 3.58Å; T192-F196 PolarHBondContact O-N 3.15Å; R194-F196 PolarHBondContact O-N 2.78Å; F196-G200 PolarHBondContact O-N 3.26Å |
| 197 | L | 79.8 | Confident | 71.9 | Confident | 115 Ų | 115 | 119.6 Ų | 119.6 | 60% | 0.602 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.4 | -44.2 | 170.1 | -68.9 | 171.1 | 0 | 0 | 0 | 111.4 | K193 R194 G200 V201 | K193-L197 WeakPolarHBondContact O-CG 3.2Å; K193-L197 PolarHBondContact O-N 3.29Å; R194-L197 PolarHBondContact O-N 3.18Å; L197-G200 PolarHBondContact O-N 2.78Å; L197-V201 WeakPolarHBondContact O-CG2 3.42Å; L197-V201 PolarHBondContact O-N 2.78Å |
| 198 | D | 76.9 | Confident | 71.7 | Confident | 85 Ų | 85 | 120.2 Ų | 120.2 | 46% | 0.455 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.2 | -40.4 | 180 | -161.6 | 29.6 | 0 | 0 | 0 | 112.2 | R194 R195 V201 T202 | R194-D198 WeakPolarHBondContact O-CB 3.39Å; R194-D198 PolarHBondContact O-N 3.43Å; R195-D198 PolarHBondContact O-N 3.48Å; D198-V201 PolarHBondContact O-N 3.45Å; D198-T202 WeakPolarHBondContact O-CG2 3.41Å; D198-T202 PolarHBondContact O-N 2.86Å; D198-T202 PolarHBondContact O-OG1 3.35Å |
| 199 | L | 78.3 | Confident | 71.6 | Confident | 107 Ų | 107 | 125.4 Ų | 125.4 | 56% | 0.56 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62.4 | -41 | 170.8 | -175.1 | 61.7 | 0 | 0 | 0 | 111.7 | R195 T202 L203 | R195-L199 VanDerWaalsContact O-CB 3.26Å; R195-L199 WeakPolarHBondContact O-CB 3.46Å; R195-L199 PolarHBondContact O-N 2.73Å; L199-T202 WeakPolarHBondContact CA-OG1 3.32Å; L199-T202 PolarHBondContact O-OG1 3.37Å; L199-L203 VanDerWaalsContact O-CB 3.22Å; L199-L203 WeakPolarHBondContact O-CB 3.44Å; L199-L203 PolarHBondContact O-N 3.41Å |
| 200 | G | 79.8 | Confident | 71 | Confident | 29 Ų | 29 | 128.6 Ų | 128.6 | 30% | 0.299 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -65.4 | -39.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | F196 L197 R204 | F196-G200 PolarHBondContact O-N 3.26Å; L197-G200 PolarHBondContact O-N 2.78Å; G200-R204 WeakPolarHBondContact O-CB 3.47Å; G200-R204 VanDerWaalsContact O-CG 3.25Å; G200-R204 WeakPolarHBondContact O-CG 3.24Å; G200-R204 PolarHBondContact O-N 3.34Å |
| 201 | V | 72.2 | Confident | 70.5 | Confident | 75 Ų | 75 | 129.7 Ų | 129.7 | 46% | 0.455 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -69.4 | -40.1 | 177.8 | 167.1 | 0 | 0 | 0 | 0 | 111.7 | L197 D198 R205 | L197-V201 WeakPolarHBondContact O-CG2 3.42Å; L197-V201 PolarHBondContact O-N 2.78Å; D198-V201 PolarHBondContact O-N 3.45Å; V201-R205 WeakPolarHBondContact O-CG 3.29Å; V201-R205 PolarHBondContact O-N 2.84Å |
| 202 | T | 63.8 | Low | 70.2 | Confident | 76 Ų | 76 | 131.7 Ų | 131.7 | 47% | 0.466 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -68.6 | -44.6 | 175.5 | 47.3 | 0 | 0 | 0 | 0 | 111.6 | D198 L199 R204 R205 S206 | D198-T202 WeakPolarHBondContact O-CG2 3.41Å; D198-T202 PolarHBondContact O-N 2.86Å; D198-T202 PolarHBondContact O-OG1 3.35Å; L199-T202 WeakPolarHBondContact CA-OG1 3.32Å; L199-T202 PolarHBondContact O-OG1 3.37Å; T202-R204 PolarHBondContact O-N 3.31Å; T202-R205 PolarHBondContact O-N 2.83Å; T202-S206 PolarHBondContact O-N 3.45Å; T202-S206 PolarHBondContact O-OG 3.29Å |
| 203 | L | 68.9 | Low | 69.2 | Low | 115 Ų | 115 | 135.8 Ų | 135.8 | 60% | 0.602 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -63.2 | -40.1 | 176.6 | -173.7 | 61.4 | 0 | 0 | 0 | 112.9 | L199 R205 S206 Y207 | L199-L203 VanDerWaalsContact O-CB 3.22Å; L199-L203 WeakPolarHBondContact O-CB 3.44Å; L199-L203 PolarHBondContact O-N 3.41Å; L203-R205 PolarHBondContact O-N 3.22Å; L203-S206 PolarHBondContact O-N 3.29Å; L203-S206 PolarHBondContact O-OG 3.34Å; L203-Y207 PolarHBondContact O-N 2.98Å |
| 204 | R | 67.4 | Low | 68.4 | Low | 202 Ų | 202 | 138.9 Ų | 138.9 | 76% | 0.762 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -67.2 | -13.1 | 172.6 | -74 | -176.3 | -159.7 | -178.9 | 7.2 | 114 | G200 T202 Y207 | G200-R204 WeakPolarHBondContact O-CB 3.47Å; G200-R204 VanDerWaalsContact O-CG 3.25Å; G200-R204 WeakPolarHBondContact O-CG 3.24Å; G200-R204 PolarHBondContact O-N 3.34Å; T202-R204 PolarHBondContact O-N 3.31Å; R204-Y207 VanDerWaalsContact O-CD1 3.29Å; R204-Y207 WeakPolarHBondContact O-CD1 3.25Å |
| 205 | R | 66 | Low | 67.2 | Low | 196 Ų | 196 | 134.6 Ų | 134.6 | 74% | 0.74 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -98.2 | -22.7 | 173.8 | -71.9 | 176.8 | -178 | -80.2 | 2.7 | 112.8 | V201 T202 L203 | V201-R205 WeakPolarHBondContact O-CG 3.29Å; V201-R205 PolarHBondContact O-N 2.84Å; T202-R205 PolarHBondContact O-N 2.83Å; L203-R205 PolarHBondContact O-N 3.22Å |
| 206 | S | 62.3 | Low | 66.1 | Low | 79 Ų | 79 | 133.3 Ų | 133.3 | 55% | 0.552 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -87.1 | -13 | 178.1 | 62.2 | 0 | 0 | 0 | 0 | 114.5 | T202 L203 I208 | T202-S206 PolarHBondContact O-N 3.45Å; T202-S206 PolarHBondContact O-OG 3.29Å; L203-S206 PolarHBondContact O-N 3.29Å; L203-S206 PolarHBondContact O-OG 3.34Å; S206-I208 PolarHBondContact O-N 2.89Å |
| 207 | Y | 58.8 | Low | 65.1 | Low | 167 Ų | 167 | 138 Ų | 138 | 66% | 0.655 | 66% | 0.656 | S | S | * | * | | | trans | -72.8 | 46.3 | 173.9 | 102.6 | -69 | 0 | 0 | 0 | 113.9 | L203 R204 R209 | L203-Y207 PolarHBondContact O-N 2.98Å; R204-Y207 VanDerWaalsContact O-CD1 3.29Å; R204-Y207 WeakPolarHBondContact O-CD1 3.25Å; Y207-R209 HydrophobicContact CD2-CG 4.29Å; Y207-R209 HydrophobicContact CE2-CG 4.33Å; Y207-R209 PolarHBondContact O-N 3.48Å |
| 208 | I | 61.6 | Low | 63.9 | Low | 141 Ų | 141 | 140.5 Ų | 140.5 | 72% | 0.723 | 67% | 0.67 | S | S | * | * | | | trans | -59.6 | 110.2 | 159.3 | -62.2 | 179.3 | 0 | 0 | 0 | 106.2 | S206 V210 | S206-I208 PolarHBondContact O-N 2.89Å; I208-V210 VanDerWaalsContact C-N 3.29Å; I208-V210 PolarHBondContact O-N 2.83Å |
| 209 | R | 64.6 | Low | 62.7 | Low | 214 Ų | 214 | 140 Ų | 140 | 81% | 0.808 | 67% | 0.673 | S | S | * | * | | | trans | -64.4 | 88.4 | -178.9 | -66.3 | -178.6 | -65.4 | 170 | 0.5 | 109.8 | Y207 R211 | Y207-R209 HydrophobicContact CD2-CG 4.29Å; Y207-R209 HydrophobicContact CE2-CG 4.33Å; Y207-R209 PolarHBondContact O-N 3.48Å; R209-R211 PolarHBondContact O-N 3.06Å |
| 210 | V | 58.9 | Low | 61 | Low | 131 Ų | 131 | 141.7 Ų | 141.7 | 79% | 0.794 | 69% | 0.687 | S | S | * | * | | | trans | -55.9 | 108.4 | 164.3 | 177.7 | 0 | 0 | 0 | 0 | 106.3 | I208 K212 | I208-V210 VanDerWaalsContact C-N 3.29Å; I208-V210 PolarHBondContact O-N 2.83Å; V210-K212 PolarHBondContact O-N 2.96Å |
| 211 | R | 63.6 | Low | 59.3 | Low | 227 Ų | 227 | 144.5 Ų | 144.5 | 86% | 0.857 | 72% | 0.716 | S | S | * | * | | | trans | -62 | 130.9 | 173.4 | -66.3 | -163 | -57.3 | -144.8 | 1.5 | 106.9 | R209 D213 | R209-R211 PolarHBondContact O-N 3.06Å; R211-D213 PolarHBondContact O-N 3.12Å |
| 212 | K | 65.8 | Low | 58 | Low | 192 Ų | 192 | 146.1 Ų | 146.1 | 84% | 0.835 | 73% | 0.73 | S | S | * | * | | | trans | -51.3 | 99.2 | 178.4 | 177.6 | 175.6 | 179.8 | 169.9 | 0 | 110.1 | V210 K214 | V210-K212 PolarHBondContact O-N 2.96Å; K212-K214 PolarHBondContact O-N 3.15Å |
| 213 | D | 52.4 | Low | 57.1 | Low | 126 Ų | 126 | 153.8 Ų | 153.8 | 67% | 0.674 | 75% | 0.751 | S | S | * | * | | | trans | -71.9 | 112.7 | 177.7 | -155.4 | -60.8 | 0 | 0 | 0 | 108.2 | R211 S215 | R211-D213 PolarHBondContact O-N 3.12Å; D213-S215 PolarHBondContact O-N 3.2Å; D213-S215 VanDerWaalsContact O-N 3.09Å; D213-S215 VanDerWaalsContact OD1-CB 3.26Å; D213-S215 WeakPolarHBondContact OD1-CB 3.11Å; D213-S215 PolarHBondContact OD1-OG 3.23Å |
| 214 | K | 59.5 | Low | 55.8 | Low | 198 Ų | 198 | 156.2 Ų | 156.2 | 86% | 0.861 | 76% | 0.759 | S | S | * | * | | | trans | -89.8 | 65.1 | -175.9 | -172.1 | 149.3 | 66.4 | 164.1 | 0 | 110.2 | K212 | K212-K214 PolarHBondContact O-N 3.15Š|
| 215 | S | 55.7 | Low | 54.7 | Low | 82 Ų | 82 | 151.4 Ų | 151.4 | 57% | 0.573 | 75% | 0.754 | S | S | * | * | | | trans | -128.5 | 8.1 | -176.5 | 52.2 | 0 | 0 | 0 | 0 | 114.4 | D213 R217 | D213-S215 PolarHBondContact O-N 3.2Å; D213-S215 VanDerWaalsContact O-N 3.09Å; D213-S215 VanDerWaalsContact OD1-CB 3.26Å; D213-S215 WeakPolarHBondContact OD1-CB 3.11Å; D213-S215 PolarHBondContact OD1-OG 3.23Å; S215-R217 PolarHBondContact O-N 3.09Å |
| 216 | N | 55.2 | Low | 53.5 | Low | 144 Ų | 144 | 146.6 Ų | 146.6 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | | | trans | -72.3 | 85.2 | 163.4 | -170 | -2.9 | 0 | 0 | 0 | 110.1 | | |
| 217 | R | 55.5 | Low | 52.4 | Low | 197 Ų | 197 | 151.4 Ų | 151.4 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | | | trans | -126.5 | 56.3 | 166 | -156.6 | -179.5 | -162.4 | -85.9 | 5.9 | 109.3 | S215 S219 | S215-R217 PolarHBondContact O-N 3.09Å; R217-S219 PolarHBondContact NH1-O 3Å; R217-S219 PolarHBondContact O-N 3.44Å |
| 218 | L | 54.2 | Low | 51.4 | Low | 168 Ų | 168 | 148.5 Ų | 148.5 | 88% | 0.88 | 77% | 0.769 | S | S | * | * | | | trans | -67.2 | 68.2 | 165.1 | -66.6 | 177.5 | 0 | 0 | 0 | 109.8 | | |
| 219 | S | 52.8 | Low | 50.6 | Low | 74 Ų | 74 | 147.1 Ų | 147.1 | 52% | 0.517 | 77% | 0.769 | S | S | . | * | | | trans | -161.6 | 81.1 | -176.8 | -173.3 | 0 | 0 | 0 | 0 | 109.3 | R217 | R217-S219 PolarHBondContact NH1-O 3Å; R217-S219 PolarHBondContact O-N 3.44Å |
| 220 | V | 41.4 | Very low | 49.3 | Very low | 143 Ų | 143 | 141.9 Ų | 141.9 | 87% | 0.867 | 77% | 0.765 | S | S | * | * | | | | -161.1 | 143.1 | 101.7 | -86.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 221 | G | 45.6 | Very low | 49.1 | Very low | 87 Ų | 87 | 147.3 Ų | 147.3 | 90% | 0.897 | 77% | 0.771 | S | S | * | * | | | trans | -167.9 | 31.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 222 | S | 43.2 | Very low | 48.2 | Very low | 109 Ų | 109 | 142.1 Ų | 142.1 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | | | trans | -130.4 | 117.7 | -177.1 | -171.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 223 | R | 45.7 | Very low | 47.6 | Very low | 238 Ų | 238 | 138.6 Ų | 138.6 | 90% | 0.898 | 77% | 0.769 | S | S | * | * | | | trans | 31 | 115.6 | 156.4 | -74.4 | -176.8 | 173.3 | 167.3 | -1.9 | 119.3 | | |
| 224 | E | 40.8 | Very low | 47.2 | Very low | 166 Ų | 166 | 134.9 Ų | 134.9 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | | | trans | -31.6 | 144.3 | 133.3 | -95.6 | -79.8 | 112.6 | 0 | 0 | 112.1 | | |
| 225 | P | 44.5 | Very low | 46.9 | Very low | 101 Ų | 101 | 130.8 Ų | 130.8 | 66% | 0.656 | 76% | 0.757 | S | S | * | * | | | | -146.4 | 176.3 | 52.8 | 42.2 | -24.6 | 0 | 0 | 0 | 119 | | |
| 226 | S | 41.3 | Very low | 46.5 | Very low | 95 Ų | 95 | 136 Ų | 136 | 66% | 0.664 | 77% | 0.769 | S | S | * | * | | | trans | 98 | 146.6 | 141.2 | 73.3 | 0 | 0 | 0 | 0 | 121.3 | | |
| 227 | E | 39.6 | Very low | 46.9 | Very low | 179 Ų | 179 | 135.4 Ų | 135.4 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | | | trans | 49.3 | 96.4 | 164.2 | -119.3 | 72.2 | 160.7 | 0 | 0 | 120.8 | | |
| 228 | S | 37 | Very low | 47.1 | Very low | 107 Ų | 107 | 131 Ų | 131 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | | | trans | -73.3 | 150.2 | 152 | 80.2 | 0 | 0 | 0 | 0 | 109.8 | | |
| 229 | P | 46.1 | Very low | 46.8 | Very low | 112 Ų | 112 | 132.5 Ų | 132.5 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | | -152 | -179.1 | 62.7 | 39.7 | -19.2 | 0 | 0 | 0 | 117.5 | | |
| 230 | S | 37 | Very low | 47.4 | Very low | 104 Ų | 104 | 133.8 Ų | 133.8 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | trans | 105.9 | 98.1 | 154.9 | -53.6 | 0 | 0 | 0 | 0 | 119.5 | | |
| 231 | R | 55.3 | Low | 48 | Very low | 245 Ų | 245 | 137.7 Ų | 137.7 | 93% | 0.925 | 78% | 0.778 | S | S | * | * | | | trans | 27.4 | 101.8 | 131.2 | -54.1 | 177.5 | 77.9 | -150.6 | 6.5 | 117.4 | | |
| 232 | S | 43.3 | Very low | 48.1 | Very low | 117 Ų | 117 | 141.2 Ų | 141.2 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | | | trans | -132.1 | 107.8 | 153.1 | -173 | 0 | 0 | 0 | 0 | 110.4 | G234 | S232-G234 VanDerWaalsContact C-N 3.31Å; S232-G234 PolarHBondContact O-N 3.24Å |
| 233 | S | 52.9 | Low | 48.2 | Very low | 118 Ų | 118 | 142.5 Ų | 142.5 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | | | trans | -80.3 | 77 | 179.4 | -63 | 0 | 0 | 0 | 0 | 110.7 | S235 | S233-S235 VanDerWaalsContact C-N 3.32Å; S233-S235 PolarHBondContact O-N 3.37Å |
| 234 | G | 44.4 | Very low | 48.1 | Very low | 49 Ų | 49 | 139 Ų | 139 | 51% | 0.505 | 77% | 0.767 | S | S | . | * | | | trans | -66.4 | 83.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S232 F236 | S232-G234 VanDerWaalsContact C-N 3.31Å; S232-G234 PolarHBondContact O-N 3.24Å; G234-F236 WeakPolarHBondContact O-CD2 3.26Å; G234-F236 PolarHBondContact O-N 2.59Å |
| 235 | S | 52.6 | Low | 48.5 | Very low | 112 Ų | 112 | 134.2 Ų | 134.2 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | | | trans | -72.7 | 91.7 | 171.4 | -171 | 0 | 0 | 0 | 0 | 109.9 | S233 V237 | S233-S235 VanDerWaalsContact C-N 3.32Å; S233-S235 PolarHBondContact O-N 3.37Å; S235-V237 PolarHBondContact O-N 2.85Å; S235-V237 VanDerWaalsContact O-N 3.17Å |
| 236 | F | 48.6 | Very low | 48.6 | Very low | 190 Ų | 190 | 141.3 Ų | 141.3 | 83% | 0.833 | 78% | 0.775 | S | S | * | * | | | trans | -73.3 | 103.7 | 175 | -68.2 | -81.3 | 0 | 0 | 0 | 109.9 | G234 S238 | G234-F236 WeakPolarHBondContact O-CD2 3.26Å; G234-F236 PolarHBondContact O-N 2.59Å; F236-S238 PolarHBondContact O-N 3.41Å |
| 237 | V | 63.7 | Low | 48.7 | Very low | 132 Ų | 132 | 140.1 Ų | 140.1 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | | | trans | -64.4 | 119.3 | 172.8 | -175.5 | 0 | 0 | 0 | 0 | 108.9 | S235 F239 | S235-V237 PolarHBondContact O-N 2.85Å; S235-V237 VanDerWaalsContact O-N 3.17Å; V237-F239 PolarHBondContact O-N 3.07Å |
| 238 | S | 58.5 | Low | 48.8 | Very low | 104 Ų | 104 | 137 Ų | 137 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | | | trans | -57.1 | 129.2 | 179.1 | -65.6 | 0 | 0 | 0 | 0 | 111.8 | F236 S240 | F236-S238 PolarHBondContact O-N 3.41Å; S238-S240 PolarHBondContact O-N 2.93Å |
| 239 | F | 48.9 | Very low | 49.1 | Very low | 200 Ų | 200 | 141.8 Ų | 141.8 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | | | trans | -72.6 | 97.1 | 179.8 | -131 | -94.4 | 0 | 0 | 0 | 110.3 | V237 W241 | V237-F239 PolarHBondContact O-N 3.07Å; F239-W241 PolarHBondContact O-N 3.03Å |
| 240 | S | 64.4 | Low | 48.9 | Very low | 101 Ų | 101 | 142.2 Ų | 142.2 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | | | trans | -69.5 | 89.1 | 179.8 | -64.4 | 0 | 0 | 0 | 0 | 111.7 | S238 F242 | S238-S240 PolarHBondContact O-N 2.93Å; S240-F242 PolarHBondContact O-N 2.77Å |
| 241 | W | 55.3 | Low | 49.3 | Very low | 225 Ų | 225 | 143.1 Ų | 143.1 | 85% | 0.852 | 80% | 0.796 | S | S | * | * | | | trans | -79.5 | 23.2 | -172.6 | 64.3 | -81 | 0 | 0 | 0 | 115.4 | F239 | F239-W241 PolarHBondContact O-N 3.03Š|
| 242 | F | 46.2 | Very low | 48.6 | Very low | 161 Ų | 161 | 136.4 Ų | 136.4 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | | | trans | -152.4 | 113.9 | 172.7 | -132.4 | -93.2 | 0 | 0 | 0 | 112 | S240 E244 | S240-F242 PolarHBondContact O-N 2.77Å; F242-E244 HydrophobicContact CD1-CB 3.97Å; F242-E244 HydrophobicContact CE1-CB 3.6Å |
| 243 | T | 47 | Very low | 48.4 | Very low | 136 Ų | 136 | 134.7 Ų | 134.7 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | | | trans | -134.3 | 57.2 | 168.7 | 57.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 244 | E | 42.2 | Very low | 48.2 | Very low | 165 Ų | 165 | 135.1 Ų | 135.1 | 77% | 0.771 | 79% | 0.785 | S | S | * | * | | | trans | -85.2 | 108.3 | 167.9 | -170.3 | 60.6 | -111 | 0 | 0 | 107.9 | F242 | F242-E244 HydrophobicContact CD1-CB 3.97Å; F242-E244 HydrophobicContact CE1-CB 3.6Å |
| 245 | G | 49.8 | Very low | 48.2 | Very low | 65 Ų | 65 | 138.4 Ų | 138.4 | 67% | 0.67 | 80% | 0.798 | S | S | * | * | | | trans | -99.2 | 109.1 | -158.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 246 | R | 47.4 | Very low | 47.9 | Very low | 250 Ų | 250 | 139.3 Ų | 139.3 | 94% | 0.943 | 80% | 0.801 | S | S | * | * | | | trans | -159.2 | 111.3 | 155.7 | -165.4 | 162.9 | -67 | -106.2 | -3 | 113.6 | | |
| 247 | G | 41.4 | Very low | 47.2 | Very low | 71 Ų | 71 | 136.3 Ų | 136.3 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | S | Bend | trans | 139.9 | 128.3 | 162.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 248 | S | 43 | Very low | 45.9 | Very low | 113 Ų | 113 | 135.1 Ų | 135.1 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | | | trans | 51.2 | 89.8 | 155 | -55.2 | 0 | 0 | 0 | 0 | 118.9 | S250 | S248-S250 PolarHBondContact O-N 3.42Š|
| 249 | F | 43.7 | Very low | 45.5 | Very low | 207 Ų | 207 | 136 Ų | 136 | 91% | 0.908 | 80% | 0.803 | S | S | * | * | | | trans | -55.6 | 126 | 151 | 32.2 | -92.7 | 0 | 0 | 0 | 110.9 | | |
| 250 | S | 40.9 | Very low | 44.9 | Very low | 121 Ų | 121 | 136.3 Ų | 136.3 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | | | trans | -148.1 | 110.1 | 160.3 | -166.4 | 0 | 0 | 0 | 0 | 108.7 | S248 | S248-S250 PolarHBondContact O-N 3.42Š|
| 251 | S | 45.3 | Very low | 44.3 | Very low | 124 Ų | 124 | 138.9 Ų | 138.9 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | | | trans | -110.5 | 103 | -167.4 | 176.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 252 | S | 40.9 | Very low | 43.8 | Very low | 104 Ų | 104 | 133.7 Ų | 133.7 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | | | trans | -162.9 | 87.5 | 156 | 57.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 253 | G | 38.7 | Very low | 43.7 | Very low | 81 Ų | 81 | 131.6 Ų | 131.6 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | | | trans | -92.1 | 113.3 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 254 | T | 49.1 | Very low | 43.3 | Very low | 126 Ų | 126 | 133.3 Ų | 133.3 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | | | trans | -133.2 | 134.2 | 171.9 | 49.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 255 | P | 44.5 | Very low | 42.9 | Very low | 119 Ų | 119 | 129.3 Ų | 129.3 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | | | trans | -75.1 | 161.3 | -173.7 | 31.6 | -36.3 | 0 | 0 | 0 | 113.1 | | |
| 256 | P | 46.3 | Very low | 42.4 | Very low | 131 Ų | 131 | 131.2 Ų | 131.2 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | | | trans | -74.7 | 140.6 | -178.1 | 31 | -35.6 | 0 | 0 | 0 | 112.5 | | |
| 257 | C | 33.5 | Very low | 41.8 | Very low | 126 Ų | 126 | 128.8 Ų | 128.8 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | | | trans | -149.9 | 140 | 165.7 | -158.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 258 | S | 37.4 | Very low | 41.7 | Very low | 108 Ų | 108 | 137 Ų | 137 | 76% | 0.755 | 82% | 0.823 | S | S | * | * | | | trans | -111.3 | -171.7 | -177.4 | -57.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 259 | P | 49.1 | Very low | 42.3 | Very low | 121 Ų | 121 | 136.1 Ų | 136.1 | 79% | 0.786 | 82% | 0.815 | S | S | * | * | | | | -115.7 | 169.5 | -70.1 | 36.8 | -26 | 0 | 0 | 0 | 111.1 | | |
| 260 | K | 35.9 | Very low | 41.9 | Very low | 208 Ų | 208 | 135.9 Ų | 135.9 | 90% | 0.904 | 81% | 0.808 | S | S | * | * | | | trans | -150.2 | 126.2 | 167.1 | -138 | 164.7 | -172.8 | 172.5 | 0 | 114 | | |
| 261 | I | 52.6 | Low | 41.7 | Very low | 154 Ų | 154 | 138.6 Ų | 138.6 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | | | trans | -105.2 | 138.9 | 176.9 | -60.1 | 164.5 | 0 | 0 | 0 | 108.5 | | |
| 262 | P | 45.5 | Very low | 41.5 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | | | trans | -105.2 | 149 | 149.8 | -5.8 | 26.2 | 0 | 0 | 0 | 111.4 | | |
| 263 | P | 43.9 | Very low | 41.3 | Very low | 116 Ų | 116 | 139.9 Ų | 139.9 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | | | trans | -108.5 | 179.1 | -164.9 | 41.8 | -36.9 | 0 | 0 | 0 | 115.4 | | |
| 264 | L | 38.9 | Very low | 41.6 | Very low | 173 Ų | 173 | 140.6 Ų | 140.6 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | | | trans | 82.8 | 127.6 | 155.9 | -137.9 | 73.6 | 0 | 0 | 0 | 117.5 | | |
| 265 | G | 32.8 | Very low | 41.2 | Very low | 80 Ų | 80 | 141.2 Ų | 141.2 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | | | trans | 171 | 39.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 266 | S | 39.2 | Very low | 41 | Very low | 106 Ų | 106 | 143.3 Ų | 143.3 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | | | trans | -86.4 | 115.6 | -173.2 | 56.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 267 | Q | 35.3 | Very low | 40.7 | Very low | 199 Ų | 199 | 142.4 Ų | 142.4 | 93% | 0.93 | 78% | 0.779 | S | S | * | * | | | trans | -129.3 | 148.3 | 149.5 | -69.4 | -160.7 | 1 | 0 | 0 | 110.1 | | |
| 268 | R | 39.8 | Very low | 41.1 | Very low | 242 Ų | 242 | 140.7 Ų | 140.7 | 91% | 0.913 | 77% | 0.774 | S | S | * | * | | | trans | -114 | -169.6 | -168.3 | -137.5 | -159.8 | 155 | -172.5 | -1.6 | 109.7 | | |
| 269 | P | 54.3 | Low | 41.6 | Very low | 95 Ų | 95 | 143.1 Ų | 143.1 | 62% | 0.617 | 78% | 0.777 | S | S | * | * | | | trans | -106 | -165.3 | -139.5 | 40.8 | -23.1 | 0 | 0 | 0 | 112.4 | | |
| 270 | R | 35.8 | Very low | 41 | Very low | 203 Ų | 203 | 141.3 Ų | 141.3 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | | | | 170.5 | 137.8 | 123.4 | -92.4 | -76 | -174.9 | -171.7 | 5.6 | 113.6 | | |
| 271 | K | 37.4 | Very low | 41.1 | Very low | 177 Ų | 177 | 140.2 Ų | 140.2 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | | | trans | 63.6 | 152.7 | 146.4 | -74.2 | 176 | 175.1 | -170 | 0 | 117.3 | | |
| 272 | S | 40.8 | Very low | 40.6 | Very low | 100 Ų | 100 | 140.2 Ų | 140.2 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | | | cis | -163.1 | -176.4 | -5.5 | 40.9 | 0 | 0 | 0 | 0 | 108.2 | | |
| 273 | H | 37 | Very low | 40.2 | Very low | 155 Ų | 155 | 142.9 Ų | 142.9 | 72% | 0.718 | 76% | 0.762 | S | S | * | * | | | cis | -154.4 | 176.3 | 15.5 | -154.8 | -88.4 | 0 | 0 | 0 | 112.2 | | |
| 274 | S | 45 | Very low | 40 | Very low | 96 Ų | 96 | 142.9 Ų | 142.9 | 67% | 0.671 | 77% | 0.765 | S | S | * | * | | | trans | 81.2 | 123.9 | 163.9 | -130.7 | 0 | 0 | 0 | 0 | 116.6 | | |
| 275 | Q | 40.7 | Very low | 40.8 | Very low | 139 Ų | 139 | 140 Ų | 140 | 65% | 0.65 | 76% | 0.757 | S | S | * | * | | | cis | 61.4 | 133.7 | 43.8 | -71.3 | -175 | -83 | 0 | 0 | 113.6 | | |
| 276 | E | 38.8 | Very low | 41.5 | Very low | 163 Ų | 163 | 141.7 Ų | 141.7 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | | | cis | -170.7 | 147.8 | -6.2 | 174.5 | 177.7 | 121.5 | 0 | 0 | 108.8 | | |
| 277 | S | 40.6 | Very low | 42 | Very low | 113 Ų | 113 | 142.2 Ų | 142.2 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | | | trans | 179 | 142.2 | 139.9 | -170.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 278 | A | 41.4 | Very low | 42 | Very low | 90 Ų | 90 | 139.4 Ų | 139.4 | 74% | 0.744 | 75% | 0.751 | S | S | * | * | | | trans | -130.1 | 131.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 279 | L | 47.8 | Very low | 41.8 | Very low | 158 Ų | 158 | 133.2 Ų | 133.2 | 83% | 0.827 | 75% | 0.745 | S | S | * | * | | | trans | -138 | 106.1 | 157.3 | -69.3 | 178.6 | 0 | 0 | 0 | 103.9 | | |
| 280 | S | 37 | Very low | 41.1 | Very low | 84 Ų | 84 | 134 Ų | 134 | 59% | 0.587 | 75% | 0.752 | S | S | * | * | | | | 57.7 | 105 | 90.2 | 72 | 0 | 0 | 0 | 0 | 110.6 | | |
| 281 | E | 38.1 | Very low | 41.2 | Very low | 185 Ų | 185 | 129.5 Ų | 129.5 | 86% | 0.864 | 75% | 0.752 | S | S | * | * | | | | 79.9 | 107.4 | 94.5 | -164.9 | 160.5 | -148.9 | 0 | 0 | 108.6 | | |
| 282 | E | 41.3 | Very low | 41.2 | Very low | 154 Ų | 154 | 127.3 Ų | 127.3 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | | | | -163.5 | 165.2 | 81.7 | -134.1 | 173.8 | 179.9 | 0 | 0 | 114.1 | | |
| 283 | F | 37.6 | Very low | 41.2 | Very low | 172 Ų | 172 | 127.1 Ų | 127.1 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | | | trans | 65.4 | 128.7 | 160.6 | -64 | -58 | 0 | 0 | 0 | 125.1 | | |
| 284 | S | 40.1 | Very low | 42 | Very low | 117 Ų | 117 | 125.1 Ų | 125.1 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | | | trans | -165.2 | 160.9 | 150.9 | -75.8 | 0 | 0 | 0 | 0 | 107.4 | | |
| 285 | P | 55.6 | Low | 42.3 | Very low | 113 Ų | 113 | 126.1 Ų | 126.1 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | | | cis | -119.5 | -154.9 | -13.8 | 33.6 | -11.7 | 0 | 0 | 0 | 110.4 | | |
| 286 | P | 46.7 | Very low | 42.8 | Very low | 115 Ų | 115 | 125.7 Ų | 125.7 | 75% | 0.747 | 77% | 0.767 | S | S | * | * | | | | -140.1 | 157 | 81.4 | 39.3 | -26 | 0 | 0 | 0 | 115 | | |
| 287 | P | 51.6 | Low | 43 | Very low | 116 Ų | 116 | 126.2 Ų | 126.2 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | | | trans | -94.4 | 137.7 | 171.1 | 35.4 | -30.9 | 0 | 0 | 0 | 112.3 | | |
| 288 | T | 34.2 | Very low | 43.1 | Very low | 140 Ų | 140 | 125.6 Ų | 125.6 | 86% | 0.859 | 77% | 0.765 | S | S | * | * | | | trans | -132.4 | 119.9 | 168.9 | 39.9 | 0 | 0 | 0 | 0 | 113.5 | | |
| 289 | S | 35.3 | Very low | 43 | Very low | 113 Ų | 113 | 126.7 Ų | 126.7 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | | | trans | -49.5 | 130.9 | -178.3 | -48.9 | 0 | 0 | 0 | 0 | 117.4 | | |
| 290 | S | 39.6 | Very low | 43 | Very low | 110 Ų | 110 | 124.8 Ų | 124.8 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | | | | 20.8 | 142.3 | 128 | 65.6 | 0 | 0 | 0 | 0 | 122.4 | | |
| 291 | S | 39.2 | Very low | 43.4 | Very low | 110 Ų | 110 | 132 Ų | 132 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | | | | 117.7 | 149.1 | 129.8 | -158.5 | 0 | 0 | 0 | 0 | 117.7 | | |
| 292 | T | 35.8 | Very low | 43.6 | Very low | 131 Ų | 131 | 128.3 Ų | 128.3 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | | | trans | 69.9 | 147 | 168.3 | -110.3 | 0 | 0 | 0 | 0 | 116 | | |
| 293 | S | 41.3 | Very low | 44.1 | Very low | 96 Ų | 96 | 126 Ų | 126 | 67% | 0.671 | 78% | 0.777 | S | S | * | * | | | cis | -164.1 | 179.9 | -23.6 | 64 | 0 | 0 | 0 | 0 | 107.8 | | |
| 294 | P | 55.1 | Low | 44.6 | Very low | 113 Ų | 113 | 125.1 Ų | 125.1 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 162.3 | -167.3 | 33.1 | -34.7 | 0 | 0 | 0 | 114.5 | | |
| 295 | P | 51.1 | Low | 45.2 | Very low | 116 Ų | 116 | 125.6 Ų | 125.6 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 155.6 | 179.9 | 29.7 | -36.8 | 0 | 0 | 0 | 113.4 | | |
| 296 | P | 51 | Low | 44.5 | Very low | 131 Ų | 131 | 130.7 Ų | 130.7 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 149.2 | -178.4 | 30.2 | -35.5 | 0 | 0 | 0 | 113.9 | | |
| 297 | E | 43 | Very low | 44.8 | Very low | 174 Ų | 174 | 133.8 Ų | 133.8 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 165.3 | 176.9 | -94.2 | -76.1 | 175.6 | 0 | 0 | 114.2 | | |
| 298 | S | 42.8 | Very low | 45 | Very low | 100 Ų | 100 | 134.5 Ų | 134.5 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | | | trans | 63.9 | 112.7 | 156.3 | 70.3 | 0 | 0 | 0 | 0 | 120.9 | | |
| 299 | S | 38.9 | Very low | 45.8 | Very low | 113 Ų | 113 | 135.6 Ų | 135.6 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | | | | -153.2 | 86.7 | 127.2 | -157.7 | 0 | 0 | 0 | 0 | 110.8 | R301 | S299-R301 PolarHBondContact O-N 3.46Š|
| 300 | S | 47.8 | Very low | 46.6 | Very low | 117 Ų | 117 | 135.6 Ų | 135.6 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | -75.9 | 114.8 | -179.3 | -60.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 301 | R | 46.1 | Very low | 47.2 | Very low | 237 Ų | 237 | 139.5 Ų | 139.5 | 89% | 0.894 | 79% | 0.793 | S | S | * | * | | | trans | -122.2 | 69.8 | 169.5 | -78.2 | -173.1 | 134.4 | -164.8 | -4 | 111.8 | S299 S303 | S299-R301 PolarHBondContact O-N 3.46Å; R301-S303 PolarHBondContact O-N 3.37Å |
| 302 | S | 41.3 | Very low | 47.6 | Very low | 106 Ų | 106 | 139.6 Ų | 139.6 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | | | trans | -74.6 | 104 | 166.4 | 54.7 | 0 | 0 | 0 | 0 | 110.2 | H304 | S302-H304 PolarHBondContact O-N 3.25Š|
| 303 | S | 52 | Low | 48.6 | Very low | 107 Ų | 107 | 137.9 Ų | 137.9 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | | | trans | -82.4 | 100.3 | -178.9 | 54.5 | 0 | 0 | 0 | 0 | 112.4 | R301 | R301-S303 PolarHBondContact O-N 3.37Š|
| 304 | H | 48.7 | Very low | 49.5 | Very low | 153 Ų | 153 | 140.7 Ų | 140.7 | 71% | 0.708 | 80% | 0.795 | S | S | * | * | | | trans | -137.6 | 124.5 | 165.9 | -67.5 | -58.9 | 0 | 0 | 0 | 111.1 | S302 | S302-H304 PolarHBondContact O-N 3.25Š|
| 305 | P | 52.4 | Low | 49.7 | Very low | 126 Ų | 126 | 142.1 Ų | 142.1 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -78 | 125.7 | 170.4 | 31.6 | -31.3 | 0 | 0 | 0 | 109.6 | | |
| 306 | Y | 41.5 | Very low | 49.8 | Very low | 220 Ų | 220 | 143.6 Ų | 143.6 | 86% | 0.863 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -84 | 126.7 | 172.2 | -78.7 | -88.4 | 0 | 0 | 0 | 110.2 | T308 | Y306-T308 PolarHBondContact O-N 3.37Š|
| 307 | H | 52.8 | Low | 49.9 | Very low | 181 Ų | 181 | 142.9 Ų | 142.9 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 127.3 | 165.4 | -86.5 | -90.5 | 0 | 0 | 0 | 109.8 | L309 | H307-L309 PolarHBondContact O-N 3.23Š|
| 308 | T | 54.9 | Low | 50.3 | Low | 131 Ų | 131 | 145.9 Ų | 145.9 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | | | trans | -73.2 | 109.7 | 165.7 | 49.4 | 0 | 0 | 0 | 0 | 109.2 | Y306 | Y306-T308 PolarHBondContact O-N 3.37Š|
| 309 | L | 52 | Low | 50.6 | Low | 162 Ų | 162 | 148.2 Ų | 148.2 | 85% | 0.848 | 82% | 0.818 | S | S | * | * | | | trans | -84.2 | 110.7 | 165.4 | -69.1 | 178 | 0 | 0 | 0 | 108.6 | H307 Q311 | H307-L309 PolarHBondContact O-N 3.23Å; L309-Q311 PolarHBondContact O-N 3.17Å |
| 310 | S | 51.6 | Low | 51.2 | Low | 113 Ų | 113 | 150.1 Ų | 150.1 | 79% | 0.79 | 82% | 0.819 | S | S | * | * | | | trans | -62.7 | 127.4 | 176.8 | -56.7 | 0 | 0 | 0 | 0 | 110.8 | S312 | S310-S312 PolarHBondContact O-N 3.03Š|
| 311 | Q | 52 | Low | 51.4 | Low | 192 Ų | 192 | 151.9 Ų | 151.9 | 90% | 0.897 | 82% | 0.819 | S | S | * | * | | | trans | -83.3 | 99.5 | 164.6 | -70.7 | -179.9 | -20.9 | 0 | 0 | 108.5 | L309 | L309-Q311 PolarHBondContact O-N 3.17Š|
| 312 | S | 47.8 | Very low | 51.8 | Low | 112 Ų | 112 | 146.9 Ų | 146.9 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | | | trans | -87.1 | 99.8 | 160.5 | 54 | 0 | 0 | 0 | 0 | 108.3 | S310 | S310-S312 PolarHBondContact O-N 3.03Š|
| 313 | S | 56.3 | Low | 52.4 | Low | 96 Ų | 96 | 149.4 Ų | 149.4 | 67% | 0.671 | 82% | 0.819 | S | S | * | * | | | trans | -62.9 | 141.5 | 155 | -58.9 | 0 | 0 | 0 | 0 | 108.4 | E315 | S313-E315 WeakPolarHBondContact CB-OE1 3.18Š|
| 314 | D | 61.2 | Low | 52.4 | Low | 154 Ų | 154 | 152.3 Ų | 152.3 | 82% | 0.824 | 82% | 0.824 | S | S | * | * | | | trans | -127.7 | 127.4 | 162.4 | -158.8 | -6 | 0 | 0 | 0 | 107.4 | V316 | D314-V316 PolarHBondContact O-N 2.86Š|
| 315 | E | 58.4 | Low | 52.7 | Low | 143 Ų | 143 | 152.2 Ų | 152.2 | 67% | 0.668 | 83% | 0.832 | S | S | * | * | | | trans | -97.4 | 85.8 | -157.9 | -56.6 | -72.4 | 135.6 | 0 | 0 | 109.8 | S313 T317 | S313-E315 WeakPolarHBondContact CB-OE1 3.18Å; E315-T317 PolarHBondContact O-N 3.01Å |
| 316 | V | 53.2 | Low | 52.7 | Low | 147 Ų | 147 | 154.2 Ų | 154.2 | 89% | 0.891 | 83% | 0.833 | S | S | * | * | | | trans | -67.6 | 92.3 | -179 | -176.9 | 0 | 0 | 0 | 0 | 111.1 | D314 | D314-V316 PolarHBondContact O-N 2.86Š|
| 317 | T | 52.8 | Low | 53.7 | Low | 116 Ų | 116 | 148.8 Ų | 148.8 | 71% | 0.712 | 83% | 0.831 | S | S | * | * | | | trans | -111.8 | 102.4 | 175.3 | -54.4 | 0 | 0 | 0 | 0 | 110.5 | E315 | E315-T317 PolarHBondContact O-N 3.01Š|
| 318 | L | 51 | Low | 53.7 | Low | 238 Ų | 238 | 145.8 Ų | 145.8 | 100% | 1.246 | 83% | 0.83 | S | S | * | * | | | trans | 47.6 | 0 | 159.9 | -57.8 | 177.8 | 0 | 0 | 0 | 117.5 | | |