| 1 | M | 39.1 | Very low | 33.2 | Very low | 240 Ų | 240 | 161 Ų | 161 | 100% | 1.182 | 85% | 0.854 | S | S | * | * | | | | 0 | 159.1 | 0 | -64.1 | 107.1 | 92.2 | 0 | 0 | 109.2 | | |
| 2 | R | 31.4 | Very low | 32.5 | Very low | 241 Ų | 241 | 165.6 Ų | 165.6 | 91% | 0.909 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 138.5 | 170.6 | -65.8 | -176.5 | -177.8 | -179.2 | 0.6 | 109.3 | | |
| 3 | P | 38.6 | Very low | 32 | Very low | 127 Ų | 127 | 161.9 Ų | 161.9 | 83% | 0.825 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 140.6 | 166.8 | 29.7 | -33.2 | 0 | 0 | 0 | 109.5 | | |
| 4 | S | 33.6 | Very low | 31.2 | Very low | 117 Ų | 117 | 159.6 Ų | 159.6 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 129 | 175.7 | -174.7 | 0 | 0 | 0 | 0 | 109.6 | E6 | S4-E6 PolarHBondContact O-N 3.38Š|
| 5 | A | 38.9 | Very low | 31 | Very low | 92 Ų | 92 | 161.2 Ų | 161.2 | 76% | 0.76 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 120 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 6 | E | 35.1 | Very low | 30.4 | Very low | 192 Ų | 192 | 161.1 Ų | 161.1 | 90% | 0.897 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 123.9 | 180 | -168.9 | 165.5 | -162.2 | 0 | 0 | 109.9 | S4 T8 | S4-E6 PolarHBondContact O-N 3.38Å; E6-T8 PolarHBondContact O-N 3.35Å |
| 7 | K | 37.4 | Very low | 30.3 | Very low | 194 Ų | 194 | 162.1 Ų | 162.1 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | | | trans | -83.4 | 110.1 | -175.4 | -72.4 | -179.6 | 178.8 | 175.3 | 0 | 110.1 | | |
| 8 | T | 33.3 | Very low | 29.8 | Very low | 124 Ų | 124 | 159.6 Ų | 159.6 | 76% | 0.761 | 82% | 0.823 | S | S | * | * | | | trans | -56 | 130.4 | 169.6 | 48.2 | 0 | 0 | 0 | 0 | 110.6 | E6 K10 | E6-T8 PolarHBondContact O-N 3.35Å; T8-K10 PolarHBondContact O-N 3.33Å |
| 9 | P | 25.9 | Very low | 30.2 | Very low | 119 Ų | 119 | 157.8 Ų | 157.8 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | | | trans | -74.7 | 92 | -173.5 | 28.5 | -34.6 | 0 | 0 | 0 | 111 | V11 | P9-V11 PolarHBondContact O-N 2.85Š|
| 10 | K | 27.4 | Very low | 30.1 | Very low | 204 Ų | 204 | 157.4 Ų | 157.4 | 89% | 0.887 | 82% | 0.815 | S | S | * | * | | | trans | -75 | 86.4 | 177.7 | -153.1 | 165.9 | -167.9 | 168.1 | 0 | 110.1 | T8 R12 | T8-K10 PolarHBondContact O-N 3.33Å; K10-R12 PolarHBondContact O-N 3.39Å |
| 11 | V | 24.9 | Very low | 30.1 | Very low | 121 Ų | 121 | 160.1 Ų | 160.1 | 73% | 0.733 | 82% | 0.815 | S | S | * | * | | | trans | -62.6 | 98.4 | -176.1 | -174.6 | 0 | 0 | 0 | 0 | 110.7 | P9 I13 | P9-V11 PolarHBondContact O-N 2.85Å; V11-I13 HydrophobicContact CG1-CG1 3.95Å; V11-I13 PolarHBondContact O-N 3.23Å |
| 12 | R | 23.9 | Very low | 29.7 | Very low | 216 Ų | 216 | 158 Ų | 158 | 82% | 0.815 | 79% | 0.794 | S | S | * | * | | | trans | -91.3 | 93.1 | 177.8 | -172.1 | 175.9 | -173.8 | 155.2 | 4.7 | 110.1 | K10 N14 | K10-R12 PolarHBondContact O-N 3.39Å; R12-N14 PolarHBondContact O-N 3.18Å |
| 13 | I | 25.8 | Very low | 30.1 | Very low | 118 Ų | 118 | 154.6 Ų | 154.6 | 61% | 0.605 | 79% | 0.793 | S | S | * | * | | | trans | -76.1 | 117.3 | 175.1 | -56.2 | -176.7 | 0 | 0 | 0 | 109 | V11 F15 | V11-I13 HydrophobicContact CG1-CG1 3.95Å; V11-I13 PolarHBondContact O-N 3.23Å; I13-F15 HydrophobicContact CG2-CD2 3.35Å; I13-F15 HydrophobicContact CG2-CE2 3.27Å; I13-F15 HydrophobicContact CG2-CG 4.26Å; I13-F15 HydrophobicContact CG2-CZ 4.13Å |
| 14 | N | 21.8 | Very low | 29.9 | Very low | 129 Ų | 129 | 152 Ų | 152 | 69% | 0.69 | 78% | 0.783 | S | S | * | * | | | trans | -106.7 | 133.6 | 162.2 | -57.6 | -43.4 | 0 | 0 | 0 | 107.1 | R12 | R12-N14 PolarHBondContact O-N 3.18Š|
| 15 | F | 27.5 | Very low | 29.8 | Very low | 184 Ų | 184 | 148.7 Ų | 148.7 | 81% | 0.807 | 77% | 0.767 | S | S | * | * | | | trans | -129.1 | 139.9 | 168.8 | -81.6 | -56.4 | 0 | 0 | 0 | 111.4 | I13 | I13-F15 HydrophobicContact CG2-CD2 3.35Å; I13-F15 HydrophobicContact CG2-CE2 3.27Å; I13-F15 HydrophobicContact CG2-CG 4.26Å; I13-F15 HydrophobicContact CG2-CZ 4.13Å |
| 16 | D | 21.4 | Very low | 29.8 | Very low | 160 Ų | 160 | 148 Ų | 148 | 86% | 0.856 | 76% | 0.762 | S | S | * | * | | | trans | -82.6 | 154.7 | -178.3 | -160.4 | -2.6 | 0 | 0 | 0 | 111.1 | | |
| 17 | H | 29.8 | Very low | 29.7 | Very low | 177 Ų | 177 | 145.3 Ų | 145.3 | 82% | 0.819 | 75% | 0.753 | S | S | * | * | | | trans | -88.5 | 118.7 | -175.4 | -83.8 | 43.4 | 0 | 0 | 0 | 112.1 | | |
| 18 | S | 21.4 | Very low | 29.6 | Very low | 118 Ų | 118 | 142.4 Ų | 142.4 | 83% | 0.825 | 74% | 0.742 | S | S | * | * | | | trans | -145.2 | 104.8 | 165.2 | -169.2 | 0 | 0 | 0 | 0 | 111 | | |
| 19 | P | 36 | Very low | 29.9 | Very low | 125 Ų | 125 | 140.7 Ų | 140.7 | 81% | 0.812 | 73% | 0.727 | S | S | * | * | | | trans | -99.6 | 97.4 | -169 | 35.2 | -32 | 0 | 0 | 0 | 113.2 | | |
| 20 | H | 27.8 | Very low | 30.5 | Very low | 149 Ų | 149 | 140.7 Ų | 140.7 | 69% | 0.69 | 72% | 0.72 | S | S | * | * | | | trans | -159.5 | 102.4 | 164.3 | -153.9 | -104.2 | 0 | 0 | 0 | 116 | | |
| 21 | W | 30.5 | Very low | 31.2 | Very low | 215 Ų | 215 | 133.9 Ų | 133.9 | 81% | 0.814 | 70% | 0.698 | S | S | * | * | | | trans | -154 | 165.3 | 147.4 | 43.4 | -89.9 | 0 | 0 | 0 | 110.7 | | |
| 22 | R | 30.7 | Very low | 32 | Very low | 196 Ų | 196 | 132 Ų | 132 | 74% | 0.74 | 68% | 0.683 | S | S | * | * | | | trans | -127.7 | 148.6 | -168.9 | -62.2 | -176 | -173.5 | 179 | 2.4 | 112 | | |
| 23 | L | 39.6 | Very low | 32.9 | Very low | 169 Ų | 169 | 129.2 Ų | 129.2 | 89% | 0.885 | 67% | 0.673 | S | S | * | * | | | trans | 44.4 | 101.3 | 156.4 | -84.2 | 71.9 | 0 | 0 | 0 | 117.3 | | |
| 24 | A | 36.2 | Very low | 33.7 | Very low | 74 Ų | 74 | 127.9 Ų | 127.9 | 61% | 0.612 | 67% | 0.666 | S | S | * | * | | | trans | -89.8 | 154.9 | 148.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 25 | G | 31.1 | Very low | 35.2 | Very low | 47 Ų | 47 | 126 Ų | 126 | 49% | 0.485 | 66% | 0.655 | S | S | . | * | | | trans | -69.6 | 156.5 | -174 | 0 | 0 | 0 | 0 | 0 | 115.3 | D27 Q28 M29 | G25-D27 PolarHBondContact O-N 2.95Å; G25-Q28 PolarHBondContact O-N 3.16Å; G25-M29 PolarHBondContact O-N 3.38Å |
| 26 | A | 37.3 | Very low | 36.2 | Very low | 78 Ų | 78 | 119.1 Ų | 119.1 | 65% | 0.645 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -61.8 | -35 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | M29 L30 | A26-M29 WeakPolarHBondContact O-CB 3.44Å; A26-M29 PolarHBondContact O-N 3.11Å; A26-L30 PolarHBondContact O-N 3.32Å |
| 27 | D | 33.6 | Very low | 37.4 | Very low | 135 Ų | 135 | 117 Ų | 117 | 72% | 0.722 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -67.9 | -36.6 | 179.8 | -60.8 | -73.7 | 0 | 0 | 0 | 113 | G25 M29 L30 S31 | G25-D27 PolarHBondContact O-N 2.95Å; D27-M29 VanDerWaalsContact C-N 3.31Å; D27-M29 PolarHBondContact O-N 3.27Å; D27-L30 PolarHBondContact O-N 2.63Å; D27-L30 VanDerWaalsContact O-N 3.15Å; D27-S31 PolarHBondContact O-N 3.39Å |
| 28 | Q | 36.6 | Very low | 37.8 | Very low | 132 Ų | 132 | 117 Ų | 117 | 62% | 0.617 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -60.7 | -44.6 | 173.1 | -66.1 | -84.3 | 75.7 | 0 | 0 | 110.2 | G25 L30 S31 L32 | G25-Q28 PolarHBondContact O-N 3.16Å; Q28-L30 VanDerWaalsContact C-N 3.31Å; Q28-L30 PolarHBondContact O-N 3.31Å; Q28-S31 PolarHBondContact O-N 3.07Å; Q28-L32 PolarHBondContact O-N 3.33Å |
| 29 | M | 39.3 | Very low | 38.8 | Very low | 88 Ų | 88 | 116.1 Ų | 116.1 | 43% | 0.433 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63.4 | -34.1 | 175 | -74.2 | -67.9 | -69.7 | 0 | 0 | 112.6 | G25 A26 D27 R33 | G25-M29 PolarHBondContact O-N 3.38Å; A26-M29 WeakPolarHBondContact O-CB 3.44Å; A26-M29 PolarHBondContact O-N 3.11Å; D27-M29 VanDerWaalsContact C-N 3.31Å; D27-M29 PolarHBondContact O-N 3.27Å; M29-R33 VanDerWaalsContact O-CB 3.24Å; M29-R33 WeakPolarHBondContact O-CB 3.46Å; M29-R33 WeakPolarHBondContact O-CD 3.34Å; M29-R33 WeakPolarHBondContact O-CG 3.44Å; M29-R33 PolarHBondContact O-N 3.42Å |
| 30 | L | 38.9 | Very low | 38.9 | Very low | 119 Ų | 119 | 116.2 Ų | 116.2 | 62% | 0.623 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -71.1 | -41 | 177.7 | -149 | 75.6 | 0 | 0 | 0 | 111.6 | A26 D27 Q28 R33 L34 | A26-L30 PolarHBondContact O-N 3.32Å; D27-L30 PolarHBondContact O-N 2.63Å; D27-L30 VanDerWaalsContact O-N 3.15Å; Q28-L30 VanDerWaalsContact C-N 3.31Å; Q28-L30 PolarHBondContact O-N 3.31Å; L30-R33 PolarHBondContact O-N 3.3Å; L30-L34 WeakPolarHBondContact O-CB 3.43Å; L30-L34 PolarHBondContact O-N 2.93Å |
| 31 | S | 40.5 | Very low | 39.2 | Very low | 62 Ų | 62 | 114.2 Ų | 114.2 | 43% | 0.434 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63 | -50.6 | 174.6 | -171.7 | 0 | 0 | 0 | 0 | 111.9 | D27 Q28 R33 L34 I35 | D27-S31 PolarHBondContact O-N 3.39Å; Q28-S31 PolarHBondContact O-N 3.07Å; S31-R33 VanDerWaalsContact C-N 3.34Å; S31-R33 PolarHBondContact O-N 3.35Å; S31-L34 PolarHBondContact O-N 3.46Å; S31-L34 VanDerWaalsContact O-N 3.09Å; S31-I35 WeakPolarHBondContact O-CG1 3.11Å; S31-I35 PolarHBondContact O-N 3.06Å |
| 32 | L | 42.6 | Very low | 39.3 | Very low | 80 Ų | 80 | 112.6 Ų | 112.6 | 42% | 0.419 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -59.8 | -41.1 | 176.3 | -85.7 | 158.3 | 0 | 0 | 0 | 112.3 | Q28 I35 A36 T178 | Q28-L32 PolarHBondContact O-N 3.33Å; L32-I35 PolarHBondContact O-N 2.97Å; L32-A36 WeakPolarHBondContact O-CB 3.46Å; L32-A36 PolarHBondContact O-N 3.45Å; L32-T178 HydrophobicContact CD2-CG2 4.4Å |
| 33 | R | 41.7 | Very low | 39.7 | Very low | 158 Ų | 158 | 107.5 Ų | 107.5 | 60% | 0.596 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -64.5 | -38.1 | 173.5 | -77.2 | 171.9 | 175.8 | -167.4 | -1.9 | 112.6 | M29 L30 S31 A36 M37 | M29-R33 VanDerWaalsContact O-CB 3.24Å; M29-R33 WeakPolarHBondContact O-CB 3.46Å; M29-R33 WeakPolarHBondContact O-CD 3.34Å; M29-R33 WeakPolarHBondContact O-CG 3.44Å; M29-R33 PolarHBondContact O-N 3.42Å; L30-R33 PolarHBondContact O-N 3.3Å; S31-R33 VanDerWaalsContact C-N 3.34Å; S31-R33 PolarHBondContact O-N 3.35Å; R33-A36 PolarHBondContact O-N 3.09Å; R33-M37 VanDerWaalsContact O-CB 3.29Å; R33-M37 WeakPolarHBondContact O-CB 3.29Å; R33-M37 VanDerWaalsContact O-CG 3.31Å; R33-M37 WeakPolarHBondContact O-CG 3.03Å; R33-M37 PolarHBondContact O-N 2.92Å |
| 34 | L | 43.7 | Very low | 39.4 | Very low | 90 Ų | 90 | 103.3 Ų | 103.3 | 47% | 0.471 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -69.9 | -35.6 | 177.4 | -167.9 | 67.8 | 0 | 0 | 0 | 111.9 | L30 S31 R38 | L30-L34 WeakPolarHBondContact O-CB 3.43Å; L30-L34 PolarHBondContact O-N 2.93Å; S31-L34 PolarHBondContact O-N 3.46Å; S31-L34 VanDerWaalsContact O-N 3.09Å; L34-R38 WeakPolarHBondContact O-CB 3.36Å; L34-R38 VanDerWaalsContact O-CG 3.25Å; L34-R38 WeakPolarHBondContact O-CG 3.31Å; L34-R38 PolarHBondContact O-N 2.87Å |
| 35 | I | 52.3 | Low | 39.4 | Very low | 90 Ų | 90 | 102.5 Ų | 102.5 | 46% | 0.462 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.7 | -49.4 | 172.7 | -67.1 | 164.4 | 0 | 0 | 0 | 110.1 | S31 L32 M37 R38 L39 | S31-I35 WeakPolarHBondContact O-CG1 3.11Å; S31-I35 PolarHBondContact O-N 3.06Å; L32-I35 PolarHBondContact O-N 2.97Å; I35-M37 PolarHBondContact O-N 2.85Å; I35-R38 PolarHBondContact O-N 3.37Å; I35-R38 VanDerWaalsContact O-N 3.14Å; I35-L39 HydrophobicContact CG2-CD1 4.08Å; I35-L39 WeakPolarHBondContact O-CG 3.34Å; I35-L39 PolarHBondContact O-N 3.24Å |
| 36 | A | 49.7 | Very low | 39.6 | Very low | 39 Ų | 39 | 106.3 Ų | 106.3 | 32% | 0.322 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -59.3 | -43.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | L32 R33 L39 F40 | L32-A36 WeakPolarHBondContact O-CB 3.46Å; L32-A36 PolarHBondContact O-N 3.45Å; R33-A36 PolarHBondContact O-N 3.09Å; A36-L39 PolarHBondContact O-N 3.49Å; A36-F40 VanDerWaalsContact O-CB 3.3Å; A36-F40 WeakPolarHBondContact O-CB 3.22Å; A36-F40 PolarHBondContact O-N 3.23Å |
| 37 | M | 45.2 | Very low | 39.2 | Very low | 115 Ų | 115 | 105.7 Ų | 105.7 | 57% | 0.567 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.4 | -40.6 | 173.2 | -79.5 | -173.6 | 71.4 | 0 | 0 | 112.3 | R33 I35 F40 L41 | R33-M37 VanDerWaalsContact O-CB 3.29Å; R33-M37 WeakPolarHBondContact O-CB 3.29Å; R33-M37 VanDerWaalsContact O-CG 3.31Å; R33-M37 WeakPolarHBondContact O-CG 3.03Å; R33-M37 PolarHBondContact O-N 2.92Å; I35-M37 PolarHBondContact O-N 2.85Å; M37-F40 PolarHBondContact O-N 2.99Å; M37-L41 WeakPolarHBondContact O-CB 3.06Å; M37-L41 VanDerWaalsContact O-CD1 3.25Å; M37-L41 WeakPolarHBondContact O-CD1 3.31Å; M37-L41 PolarHBondContact O-N 3.31Å |
| 38 | R | 39.8 | Very low | 39 | Very low | 179 Ų | 179 | 107.8 Ų | 107.8 | 68% | 0.675 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -65.9 | -37.5 | 176.6 | -78.7 | 173.4 | 176.2 | -171 | -0.8 | 112.3 | L34 I35 R42 | L34-R38 WeakPolarHBondContact O-CB 3.36Å; L34-R38 VanDerWaalsContact O-CG 3.25Å; L34-R38 WeakPolarHBondContact O-CG 3.31Å; L34-R38 PolarHBondContact O-N 2.87Å; I35-R38 PolarHBondContact O-N 3.37Å; I35-R38 VanDerWaalsContact O-N 3.14Å; R38-R42 VanDerWaalsContact O-CB 3.31Å; R38-R42 WeakPolarHBondContact O-CB 3.17Å; R38-R42 PolarHBondContact O-N 3.17Å |
| 39 | L | 41.9 | Very low | 39 | Very low | 99 Ų | 99 | 108.7 Ų | 108.7 | 52% | 0.518 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.8 | -45.5 | 172.3 | -68.3 | 168.3 | 0 | 0 | 0 | 111.1 | I35 A36 R42 V43 | I35-L39 HydrophobicContact CG2-CD1 4.08Å; I35-L39 WeakPolarHBondContact O-CG 3.34Å; I35-L39 PolarHBondContact O-N 3.24Å; A36-L39 PolarHBondContact O-N 3.49Å; L39-R42 PolarHBondContact O-N 3.29Å; L39-V43 WeakPolarHBondContact O-CG2 3.48Å; L39-V43 PolarHBondContact O-N 2.83Å |
| 40 | F | 37.3 | Very low | 38.3 | Very low | 126 Ų | 126 | 110.3 Ų | 110.3 | 55% | 0.553 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -66.7 | -39.8 | 179.4 | -167.1 | -91.8 | 0 | 0 | 0 | 113.1 | A36 M37 R42 V43 S44 | A36-F40 VanDerWaalsContact O-CB 3.3Å; A36-F40 WeakPolarHBondContact O-CB 3.22Å; A36-F40 PolarHBondContact O-N 3.23Å; M37-F40 PolarHBondContact O-N 2.99Å; F40-R42 VanDerWaalsContact C-N 3.34Å; F40-V43 PolarHBondContact O-N 3.34Å; F40-S44 WeakPolarHBondContact O-CB 3.34Å; F40-S44 PolarHBondContact O-N 2.81Å; F40-S44 PolarHBondContact O-OG 2.81Å |
| 41 | L | 34 | Very low | 37.6 | Very low | 107 Ų | 107 | 111.6 Ų | 111.6 | 56% | 0.56 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -68.5 | -31.9 | 173.4 | -94 | 71.7 | 0 | 0 | 0 | 111.9 | M37 S44 G45 | M37-L41 WeakPolarHBondContact O-CB 3.06Å; M37-L41 VanDerWaalsContact O-CD1 3.25Å; M37-L41 WeakPolarHBondContact O-CD1 3.31Å; M37-L41 PolarHBondContact O-N 3.31Å; L41-S44 CarbonylContact O-C 3.46Å; L41-S44 PolarHBondContact O-N 2.82Å; L41-G45 PolarHBondContact O-N 2.91Å |
| 42 | R | 33.8 | Very low | 37.4 | Very low | 182 Ų | 182 | 112.5 Ų | 112.5 | 69% | 0.687 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -68.7 | -42.7 | 173.7 | -166.8 | 170.7 | -170.2 | 159.3 | 3.6 | 111.8 | R38 L39 F40 S44 G45 D46 | R38-R42 VanDerWaalsContact O-CB 3.31Å; R38-R42 WeakPolarHBondContact O-CB 3.17Å; R38-R42 PolarHBondContact O-N 3.17Å; L39-R42 PolarHBondContact O-N 3.29Å; F40-R42 VanDerWaalsContact C-N 3.34Å; R42-S44 PolarHBondContact O-N 3.04Å; R42-G45 PolarHBondContact O-N 3.09Å; R42-D46 PolarHBondContact O-N 2.97Å |
| 43 | V | 38 | Very low | 36.9 | Very low | 89 Ų | 89 | 118.4 Ų | 118.4 | 54% | 0.539 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -60.2 | -32.5 | 169.6 | 171.3 | 0 | 0 | 0 | 0 | 111.7 | L39 F40 G45 | L39-V43 WeakPolarHBondContact O-CG2 3.48Å; L39-V43 PolarHBondContact O-N 2.83Å; F40-V43 PolarHBondContact O-N 3.34Å; V43-G45 VanDerWaalsContact C-N 3.32Å |
| 44 | S | 34.9 | Very low | 36.7 | Very low | 81 Ų | 81 | 118.8 Ų | 118.8 | 57% | 0.566 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -7.3 | 174.4 | -52.1 | 0 | 0 | 0 | 0 | 114.4 | F40 L41 R42 | F40-S44 WeakPolarHBondContact O-CB 3.34Å; F40-S44 PolarHBondContact O-N 2.81Å; F40-S44 PolarHBondContact O-OG 2.81Å; L41-S44 CarbonylContact O-C 3.46Å; L41-S44 PolarHBondContact O-N 2.82Å; R42-S44 PolarHBondContact O-N 3.04Å |
| 45 | G | 34.4 | Very low | 36.4 | Very low | 56 Ų | 56 | 126.3 Ų | 126.3 | 58% | 0.577 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | -43.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L41 R42 V43 S47 | L41-G45 PolarHBondContact O-N 2.91Å; R42-G45 PolarHBondContact O-N 3.09Å; V43-G45 VanDerWaalsContact C-N 3.32Å; G45-S47 PolarHBondContact O-N 3.32Å |
| 46 | D | 35.2 | Very low | 35.6 | Very low | 128 Ų | 128 | 134.3 Ų | 134.3 | 68% | 0.684 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -96.2 | 51.6 | -173.6 | -65.6 | -41.2 | 0 | 0 | 0 | 112.5 | R42 | R42-D46 PolarHBondContact O-N 2.97Š|
| 47 | S | 29.6 | Very low | 34.8 | Very low | 65 Ų | 65 | 136.1 Ų | 136.1 | 46% | 0.455 | 70% | 0.701 | S | S | . | * | S | Bend | trans | -156.6 | 108.1 | 171.1 | -85.6 | 0 | 0 | 0 | 0 | 114.9 | G45 | G45-S47 PolarHBondContact O-N 3.32Š|
| 48 | F | 30.6 | Very low | 34.3 | Very low | 179 Ų | 179 | 139.3 Ų | 139.3 | 79% | 0.785 | 72% | 0.717 | S | S | * | * | | | trans | 51.2 | 126 | 162.3 | 15 | -88.3 | 0 | 0 | 0 | 120.5 | V50 | F48-V50 PolarHBondContact O-N 3.4Š|
| 49 | V | 34.6 | Very low | 34.2 | Very low | 150 Ų | 150 | 139.8 Ų | 139.8 | 91% | 0.909 | 73% | 0.727 | S | S | * | * | | | trans | -66.8 | 98.1 | 160.4 | 179.1 | 0 | 0 | 0 | 0 | 109.4 | | |
| 50 | V | 26 | Very low | 34 | Very low | 122 Ų | 122 | 143.3 Ų | 143.3 | 74% | 0.739 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 130.6 | 158.7 | 177.2 | 0 | 0 | 0 | 0 | 108.1 | F48 | F48-V50 PolarHBondContact O-N 3.4Š|
| 51 | N | 24.5 | Very low | 33.7 | Very low | 147 Ų | 147 | 143.6 Ų | 143.6 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 143.8 | -171.1 | -166.1 | 10.5 | 0 | 0 | 0 | 112.5 | F53 | N51-F53 PolarHBondContact O-N 2.87Š|
| 52 | A | 35.6 | Very low | 33.5 | Very low | 80 Ų | 80 | 146.8 Ų | 146.8 | 66% | 0.661 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 123.1 | -168.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 53 | F | 31.2 | Very low | 33.7 | Very low | 205 Ų | 205 | 147.2 Ų | 147.2 | 90% | 0.899 | 77% | 0.771 | S | S | * | * | | | trans | -144.6 | 21 | 161.9 | -114.5 | -72.2 | 0 | 0 | 0 | 115.4 | N51 | N51-F53 PolarHBondContact O-N 2.87Š|
| 54 | L | 38.9 | Very low | 33.3 | Very low | 166 Ų | 166 | 153.3 Ų | 153.3 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -123.6 | 72.1 | 176.8 | -70.4 | 176.4 | 0 | 0 | 0 | 112.4 | | |
| 55 | R | 36.3 | Very low | 33 | Very low | 248 Ų | 248 | 154.4 Ų | 154.4 | 94% | 0.936 | 79% | 0.793 | S | S | * | * | | | trans | 172.6 | 81.7 | 149.9 | -94.3 | 157.8 | -153.3 | -83.9 | 2.3 | 112.9 | | |
| 56 | R | 36 | Very low | 32.9 | Very low | 258 Ų | 258 | 156.1 Ų | 156.1 | 97% | 0.974 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -157.2 | 133.9 | 150.3 | 177.4 | 165.8 | -85.5 | -153.5 | -6 | 108.6 | | |
| 57 | G | 32.6 | Very low | 32.8 | Very low | 76 Ų | 76 | 156.8 Ų | 156.8 | 78% | 0.784 | 81% | 0.811 | S | S | * | * | | | trans | 103.6 | 75.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 58 | M | 35.2 | Very low | 33.1 | Very low | 183 Ų | 183 | 160.2 Ų | 160.2 | 90% | 0.901 | 82% | 0.824 | S | S | * | * | | | trans | -142.2 | 32.4 | 167 | -155.3 | -163.7 | 80.5 | 0 | 0 | 111.2 | | |
| 59 | E | 38.4 | Very low | 33.1 | Very low | 189 Ų | 189 | 160.9 Ų | 160.9 | 88% | 0.883 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -140.1 | 154.6 | 175.8 | -66.6 | -177.6 | -120.2 | 0 | 0 | 108 | | |
| 60 | E | 37.4 | Very low | 33.1 | Very low | 172 Ų | 172 | 162.7 Ų | 162.7 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | | | trans | 58.9 | 99.1 | -167.6 | -69.6 | -137.2 | 115.9 | 0 | 0 | 117.4 | R63 | E60-R63 IonicContact OE1-NH2 3.92Š|
| 61 | C | 29.4 | Very low | 33.6 | Very low | 133 Ų | 133 | 164.4 Ų | 164.4 | 90% | 0.899 | 83% | 0.829 | S | S | * | * | | | | -159 | 73.7 | 121.8 | -164.5 | 0 | 0 | 0 | 0 | 110.6 | | |
| 62 | E | 31.5 | Very low | 34 | Very low | 174 Ų | 174 | 166.6 Ų | 166.6 | 81% | 0.813 | 83% | 0.831 | S | S | * | * | | | trans | -119 | 91.6 | 171 | -175.1 | 175.8 | -148.6 | 0 | 0 | 110 | | |
| 63 | R | 36.9 | Very low | 33.6 | Very low | 191 Ų | 191 | 170.5 Ų | 170.5 | 72% | 0.721 | 84% | 0.841 | S | S | * | * | | | trans | 177.1 | 162.3 | 150.9 | -100.7 | 156.3 | -67.6 | 147.7 | 6.9 | 111.7 | E60 | E60-R63 IonicContact OE1-NH2 3.92Š|
| 64 | Y | 29.5 | Very low | 33.7 | Very low | 217 Ų | 217 | 169 Ų | 169 | 85% | 0.851 | 84% | 0.839 | S | S | * | * | | | trans | 82 | 107.8 | 172.9 | -72.5 | -77.3 | 0 | 0 | 0 | 119.7 | | |
| 65 | S | 28.8 | Very low | 33.3 | Very low | 103 Ų | 103 | 169.6 Ų | 169.6 | 72% | 0.72 | 84% | 0.837 | S | S | * | * | | | trans | -23.4 | 143.7 | 156.4 | -40 | 0 | 0 | 0 | 0 | 116.2 | | |
| 66 | A | 33.3 | Very low | 32.8 | Very low | 93 Ų | 93 | 165.2 Ų | 165.2 | 77% | 0.769 | 83% | 0.828 | S | S | * | * | | | cis | 67.2 | 92 | 44.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 67 | T | 33.3 | Very low | 32.5 | Very low | 142 Ų | 142 | 162.2 Ų | 162.2 | 87% | 0.871 | 82% | 0.822 | S | S | * | * | | | trans | -152.5 | 137.2 | 143.6 | 16.9 | 0 | 0 | 0 | 0 | 110 | | |
| 68 | D | 34.8 | Very low | 32.8 | Very low | 137 Ų | 137 | 163.9 Ų | 163.9 | 73% | 0.733 | 82% | 0.819 | S | S | * | * | | | trans | -75.4 | 152.2 | 169 | -159.8 | -45.4 | 0 | 0 | 0 | 109.9 | | |
| 69 | H | 30.6 | Very low | 32.4 | Very low | 192 Ų | 192 | 162.4 Ų | 162.4 | 89% | 0.889 | 82% | 0.815 | S | S | * | * | | | trans | -167.3 | 105.5 | 151.1 | -96.6 | -48.4 | 0 | 0 | 0 | 112.7 | | |
| 70 | K | 36 | Very low | 31.9 | Very low | 188 Ų | 188 | 158.3 Ų | 158.3 | 82% | 0.817 | 81% | 0.813 | S | S | * | * | | | trans | -99.1 | 138 | 161.8 | 177.8 | -173.9 | -175.7 | 178.7 | 0 | 109.7 | | |
| 71 | L | 35.4 | Very low | 31.6 | Very low | 159 Ų | 159 | 158.9 Ų | 158.9 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | | | trans | -172.1 | 160.6 | 142.9 | -104.7 | 169.2 | 0 | 0 | 0 | 114.7 | | |
| 72 | K | 33.3 | Very low | 31.8 | Very low | 192 Ų | 192 | 159.8 Ų | 159.8 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | | | trans | -65.8 | 155.4 | -169.1 | -53.5 | 158.4 | 177 | 177.9 | 0 | 115.6 | | |
| 73 | N | 26.7 | Very low | 31.9 | Very low | 163 Ų | 163 | 161.3 Ų | 161.3 | 87% | 0.872 | 82% | 0.815 | S | S | * | * | | | | -151 | 168 | 114.2 | -153.2 | 0.7 | 0 | 0 | 0 | 111.6 | | |
| 74 | M | 34.6 | Very low | 31.4 | Very low | 172 Ų | 172 | 160.1 Ų | 160.1 | 85% | 0.847 | 82% | 0.818 | S | S | * | * | | | trans | -135.1 | 122.1 | -179.3 | -81.7 | -179 | 57.5 | 0 | 0 | 112.7 | | |
| 75 | Q | 29.5 | Very low | 31.4 | Very low | 179 Ų | 179 | 153.7 Ų | 153.7 | 84% | 0.836 | 82% | 0.817 | S | S | * | * | | | trans | -170.4 | 138.1 | 153.7 | -148.1 | 162.6 | 5.6 | 0 | 0 | 107.6 | | |
| 76 | E | 24.9 | Very low | 31.4 | Very low | 157 Ų | 157 | 155.5 Ų | 155.5 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | | | cis | -163.3 | -162.8 | -15.7 | -175.5 | 144.5 | -138.1 | 0 | 0 | 109.2 | | |
| 77 | F | 30.4 | Very low | 31.1 | Very low | 195 Ų | 195 | 158.6 Ų | 158.6 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | | | trans | -123.3 | 168.1 | -175.4 | -78.3 | -72.1 | 0 | 0 | 0 | 111.6 | | |
| 78 | P | 40.2 | Very low | 31 | Very low | 110 Ų | 110 | 157.6 Ų | 157.6 | 71% | 0.714 | 80% | 0.804 | S | S | * | * | | | cis | -138.6 | 170.2 | 16.1 | 43.2 | -25.7 | 0 | 0 | 0 | 118.5 | | |
| 79 | N | 25.3 | Very low | 30.9 | Very low | 153 Ų | 153 | 157.1 Ų | 157.1 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | 33.2 | 109.6 | 150.9 | -92.1 | -53.6 | 0 | 0 | 0 | 121.5 | | |
| 80 | A | 28.7 | Very low | 31 | Very low | 102 Ų | 102 | 156.9 Ų | 156.9 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | | | trans | -149.7 | 111.5 | 140.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | L82 | A80-L82 PolarHBondContact O-N 3.21Š|
| 81 | E | 30.4 | Very low | 30.8 | Very low | 184 Ų | 184 | 155.7 Ų | 155.7 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | | | trans | -93.1 | 95.9 | 180 | -172.4 | 174.4 | -165.3 | 0 | 0 | 110.6 | | |
| 82 | L | 34 | Very low | 30.4 | Very low | 152 Ų | 152 | 153.7 Ų | 153.7 | 80% | 0.796 | 80% | 0.796 | S | S | * | * | | | trans | -136.5 | 116.8 | 168.8 | -163.8 | 73.6 | 0 | 0 | 0 | 109.8 | A80 E84 | A80-L82 PolarHBondContact O-N 3.21Å; L82-E84 PolarHBondContact O-N 2.92Å |
| 83 | K | 33.2 | Very low | 30.9 | Very low | 206 Ų | 206 | 149.7 Ų | 149.7 | 90% | 0.896 | 79% | 0.789 | S | S | * | * | | | trans | -80.8 | 110.4 | 171 | -79.1 | -175.3 | 175.5 | 180 | 0 | 109.5 | | |
| 84 | E | 26.4 | Very low | 31.3 | Very low | 167 Ų | 167 | 150 Ų | 150 | 78% | 0.78 | 79% | 0.791 | S | S | * | * | | | trans | -130.9 | 128.1 | 161 | -169 | 156.8 | -137.2 | 0 | 0 | 109.1 | L82 | L82-E84 PolarHBondContact O-N 2.92Š|
| 85 | G | 29.6 | Very low | 31.6 | Very low | 81 Ų | 81 | 150 Ų | 150 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | | | trans | -141 | 106.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 86 | Q | 29.7 | Very low | 31.9 | Very low | 141 Ų | 141 | 147 Ų | 147 | 66% | 0.659 | 78% | 0.782 | S | S | * | * | | | trans | -136.1 | 140.2 | 179.7 | -135.5 | 176.3 | 7.1 | 0 | 0 | 105.4 | | |
| 87 | F | 26.8 | Very low | 32.5 | Very low | 158 Ų | 158 | 146.4 Ų | 146.4 | 69% | 0.693 | 78% | 0.782 | S | S | * | * | | | cis | -147.8 | 169.7 | 39.6 | -96.9 | -90.8 | 0 | 0 | 0 | 113.7 | | |
| 88 | T | 31.1 | Very low | 32.8 | Very low | 121 Ų | 121 | 143.9 Ų | 143.9 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | | | trans | 54.1 | 107.3 | 162 | 51.2 | 0 | 0 | 0 | 0 | 116.8 | | |
| 89 | D | 32.5 | Very low | 32.8 | Very low | 127 Ų | 127 | 144.6 Ų | 144.6 | 68% | 0.679 | 78% | 0.781 | S | S | * | * | | | | 63.4 | 97.8 | 62.9 | -170.6 | 28.5 | 0 | 0 | 0 | 114.6 | H91 | D89-H91 PolarHBondContact OD1-N 3.4Š|
| 90 | Q | 32.2 | Very low | 33.3 | Very low | 188 Ų | 188 | 145.1 Ų | 145.1 | 88% | 0.879 | 78% | 0.779 | S | S | * | * | | | | -143.7 | 99.9 | 121.6 | -76.1 | -156.3 | 27.3 | 0 | 0 | 108.8 | | |
| 91 | H | 32.3 | Very low | 33.8 | Very low | 163 Ų | 163 | 148.1 Ų | 148.1 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | | | trans | -83.6 | 129.7 | 169.1 | -98.3 | -94.8 | 0 | 0 | 0 | 111.7 | D89 | D89-H91 PolarHBondContact OD1-N 3.4Š|
| 92 | C | 27.7 | Very low | 33.9 | Very low | 116 Ų | 116 | 146.6 Ų | 146.6 | 78% | 0.784 | 77% | 0.766 | S | S | * | * | | | trans | -128.3 | 88.6 | 161.7 | -76.5 | 0 | 0 | 0 | 0 | 109.6 | L94 | C92-L94 PolarHBondContact O-N 3.29Š|
| 93 | P | 41.8 | Very low | 34.2 | Very low | 108 Ų | 108 | 143.6 Ų | 143.6 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | | | trans | -76.9 | 118.8 | 172.5 | 4.8 | 11.8 | 0 | 0 | 0 | 109.6 | E95 | P93-E95 PolarHBondContact O-N 2.88Š|
| 94 | L | 35.4 | Very low | 34.3 | Very low | 171 Ų | 171 | 141.7 Ų | 141.7 | 90% | 0.895 | 76% | 0.758 | S | S | * | * | | | trans | -82.1 | 92.2 | 168.5 | -83.6 | 163.4 | 0 | 0 | 0 | 109.4 | C92 V96 | C92-L94 PolarHBondContact O-N 3.29Å; L94-V96 PolarHBondContact O-N 2.69Å |
| 95 | E | 41.8 | Very low | 34.5 | Very low | 170 Ų | 170 | 137.3 Ų | 137.3 | 79% | 0.794 | 76% | 0.757 | S | S | * | * | | | trans | -75.6 | 104.8 | 175.8 | -173.9 | 169.4 | -158.7 | 0 | 0 | 110.6 | P93 I97 | P93-E95 PolarHBondContact O-N 2.88Å; E95-I97 HydrophobicContact CG-CG1 4.36Å; E95-I97 PolarHBondContact O-N 2.88Å |
| 96 | V | 35.1 | Very low | 34.7 | Very low | 118 Ų | 118 | 139.2 Ų | 139.2 | 72% | 0.715 | 76% | 0.756 | S | S | * | * | | | trans | -88.6 | 96.9 | 175.5 | -179.1 | 0 | 0 | 0 | 0 | 109.1 | L94 L98 | L94-V96 PolarHBondContact O-N 2.69Å; V96-L98 PolarHBondContact O-N 3.45Å; V96-L98 VanDerWaalsContact O-N 3.14Å |
| 97 | I | 37.7 | Very low | 35.1 | Very low | 143 Ų | 143 | 141.3 Ų | 141.3 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | | | trans | -71.3 | 104.8 | 172.4 | -56 | 176.1 | 0 | 0 | 0 | 108.6 | E95 | E95-I97 HydrophobicContact CG-CG1 4.36Å; E95-I97 PolarHBondContact O-N 2.88Å |
| 98 | L | 37.8 | Very low | 35.4 | Very low | 143 Ų | 143 | 139.3 Ų | 139.3 | 75% | 0.749 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 135.1 | 169.7 | -69 | 172.1 | 0 | 0 | 0 | 110 | V96 Q100 | V96-L98 PolarHBondContact O-N 3.45Å; V96-L98 VanDerWaalsContact O-N 3.14Å; L98-Q100 PolarHBondContact O-N 3.36Å |
| 99 | P | 40.1 | Very low | 35.6 | Very low | 124 Ų | 124 | 144.4 Ų | 144.4 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 135.2 | 165.2 | -23.8 | 34.6 | 0 | 0 | 0 | 110.4 | E101 | P99-E101 PolarHBondContact O-N 2.89Š|
| 100 | Q | 35.5 | Very low | 36.1 | Very low | 164 Ų | 164 | 146 Ų | 146 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 117.3 | -172.1 | -175.2 | -179.3 | 8.8 | 0 | 0 | 111.9 | L98 K102 | L98-Q100 PolarHBondContact O-N 3.36Å; Q100-K102 PolarHBondContact O-N 3.02Å |
| 101 | E | 38.9 | Very low | 36.3 | Very low | 166 Ų | 166 | 144.8 Ų | 144.8 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 119.8 | 166.4 | -173.5 | -169.1 | 138.1 | 0 | 0 | 109.7 | P99 | P99-E101 PolarHBondContact O-N 2.89Š|
| 102 | K | 33 | Very low | 36.3 | Very low | 152 Ų | 152 | 147.5 Ų | 147.5 | 66% | 0.661 | 79% | 0.786 | S | S | * | * | | | trans | -108.3 | 86.4 | 167.3 | -71.5 | -164.9 | 175.6 | -167.4 | 0 | 109.6 | Q100 E104 | Q100-K102 PolarHBondContact O-N 3.02Å; K102-E104 PolarHBondContact O-N 3.07Å; K102-E104 VanDerWaalsContact O-N 3.08Å |
| 103 | A | 39.8 | Very low | 36.6 | Very low | 88 Ų | 88 | 149.9 Ų | 149.9 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | | | trans | -69.9 | 95.5 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 104 | E | 34.6 | Very low | 36.1 | Very low | 167 Ų | 167 | 152.9 Ų | 152.9 | 78% | 0.78 | 80% | 0.795 | S | S | * | * | | | trans | -139.7 | 108.3 | -176.9 | -165.2 | 158.1 | -139.9 | 0 | 0 | 110.9 | K102 | K102-E104 PolarHBondContact O-N 3.07Å; K102-E104 VanDerWaalsContact O-N 3.08Å |
| 105 | G | 30.3 | Very low | 35.9 | Very low | 74 Ų | 74 | 149.3 Ų | 149.3 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | | | trans | 77.1 | 94.6 | 161.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 106 | C | 35.1 | Very low | 35.2 | Very low | 122 Ų | 122 | 151.2 Ų | 151.2 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | S | Bend | | -64.6 | 169.3 | 129.5 | -66.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 107 | E | 37.5 | Very low | 35 | Very low | 185 Ų | 185 | 153.2 Ų | 153.2 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | | | trans | 82.6 | 55.2 | -174.6 | -51.6 | -54.6 | 129.5 | 0 | 0 | 117 | | |
| 108 | S | 32.5 | Very low | 34.7 | Very low | 116 Ų | 116 | 149 Ų | 149 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | | | trans | -154.1 | 78.8 | 147.7 | -145.3 | 0 | 0 | 0 | 0 | 113.7 | | |
| 109 | Y | 35.6 | Very low | 34.6 | Very low | 227 Ų | 227 | 149.9 Ų | 149.9 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | | | trans | -136.5 | 34.5 | 172.8 | -152.7 | -95.7 | 0 | 0 | 0 | 113.4 | | |
| 110 | L | 43 | Very low | 34.3 | Very low | 162 Ų | 162 | 153.3 Ų | 153.3 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -143.3 | 44.6 | 176.2 | -79 | -176.1 | 0 | 0 | 0 | 113.6 | | |
| 111 | Q | 37.5 | Very low | 34.1 | Very low | 162 Ų | 162 | 153.6 Ų | 153.6 | 76% | 0.757 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -147.8 | 61.7 | 173 | -161 | 65.2 | 75.7 | 0 | 0 | 114.3 | | |
| 112 | Y | 31 | Very low | 34.1 | Very low | 219 Ų | 219 | 150.5 Ų | 150.5 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | | | trans | -167 | 67.6 | 147.3 | -105.4 | -66.4 | 0 | 0 | 0 | 111.3 | | |
| 113 | L | 34.7 | Very low | 33.9 | Very low | 167 Ų | 167 | 149.7 Ų | 149.7 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | | | trans | -121.5 | 84 | 164.3 | -77.7 | -179.7 | 0 | 0 | 0 | 109.8 | | |
| 114 | H | 31.4 | Very low | 33.7 | Very low | 171 Ų | 171 | 156.8 Ų | 156.8 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | | | trans | -167.8 | 137 | 169.7 | -105 | -73.8 | 0 | 0 | 0 | 106.3 | | |
| 115 | S | 30.7 | Very low | 33.4 | Very low | 95 Ų | 95 | 156.4 Ų | 156.4 | 66% | 0.664 | 80% | 0.803 | S | S | * | * | | | cis | -167.8 | 126.6 | -20 | -97.5 | 0 | 0 | 0 | 0 | 105.9 | | |
| 116 | E | 26.6 | Very low | 33.3 | Very low | 210 Ų | 210 | 156.3 Ų | 156.3 | 98% | 0.981 | 80% | 0.795 | S | S | * | * | | | trans | -136 | 137.9 | 156.6 | -74.4 | -155.6 | 110.7 | 0 | 0 | 110.7 | | |
| 117 | D | 31.3 | Very low | 33 | Very low | 160 Ų | 160 | 156 Ų | 156 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | | | trans | -140.1 | 142.9 | -179.9 | 165.3 | 39.9 | 0 | 0 | 0 | 105.5 | | |
| 118 | G | 31.3 | Very low | 32.8 | Very low | 55 Ų | 55 | 155.8 Ų | 155.8 | 57% | 0.567 | 79% | 0.786 | S | S | * | * | | | trans | 138.3 | 90.7 | 175 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 119 | E | 35.1 | Very low | 32.9 | Very low | 161 Ų | 161 | 156.5 Ų | 156.5 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | | | trans | -18.3 | 136.7 | 148.7 | -41.4 | -62.9 | 95.2 | 0 | 0 | 115.8 | | |
| 120 | K | 35 | Very low | 32.6 | Very low | 196 Ų | 196 | 150.9 Ų | 150.9 | 85% | 0.852 | 78% | 0.779 | S | S | * | * | | | trans | 176.4 | 111.9 | 140 | -96 | 155.4 | -132.5 | 87.5 | 0 | 114.6 | | |
| 121 | E | 30.8 | Very low | 32.5 | Very low | 170 Ų | 170 | 146.9 Ų | 146.9 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | | | trans | -76.4 | 172.2 | 145.8 | -88.4 | -75.3 | 125.1 | 0 | 0 | 109.6 | | |
| 122 | P | 38.4 | Very low | 32.4 | Very low | 102 Ų | 102 | 148.1 Ų | 148.1 | 66% | 0.662 | 78% | 0.78 | S | S | * | * | | | cis | -140.8 | 178.8 | 13.6 | 44.1 | -26.4 | 0 | 0 | 0 | 118.3 | | |
| 123 | L | 30.5 | Very low | 32.8 | Very low | 135 Ų | 135 | 147.7 Ų | 147.7 | 71% | 0.707 | 78% | 0.782 | S | S | * | * | | | trans | 62.2 | 112.9 | 141.1 | -176.3 | 70.7 | 0 | 0 | 0 | 120.5 | | |
| 124 | R | 34.8 | Very low | 32.8 | Very low | 237 Ų | 237 | 150.9 Ų | 150.9 | 89% | 0.894 | 78% | 0.783 | S | S | * | * | | | | -168.3 | 166.5 | 112.5 | 44.8 | -163.8 | 144.3 | -91 | 8 | 113.8 | | |
| 125 | D | 28 | Very low | 33 | Very low | 159 Ų | 159 | 150 Ų | 150 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | | | trans | -103.4 | -179 | -153.9 | -164.5 | 3 | 0 | 0 | 0 | 113.9 | | |
| 126 | A | 29.4 | Very low | 33.1 | Very low | 72 Ų | 72 | 149 Ų | 149 | 60% | 0.595 | 78% | 0.776 | S | S | * | * | | | trans | 92.8 | 100.9 | 153.3 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 127 | T | 28 | Very low | 33.8 | Very low | 115 Ų | 115 | 145.9 Ų | 145.9 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | | | | 97.6 | 126.4 | 116.1 | -62.6 | 0 | 0 | 0 | 0 | 120.7 | | |
| 128 | K | 33 | Very low | 34.1 | Very low | 181 Ų | 181 | 144.7 Ų | 144.7 | 79% | 0.787 | 76% | 0.764 | S | S | * | * | | | trans | 75.4 | 103.9 | 155.5 | -80 | 164.5 | -162.9 | 170.9 | 0 | 121.4 | | |
| 129 | T | 34.2 | Very low | 34.3 | Very low | 130 Ų | 130 | 149.2 Ų | 149.2 | 80% | 0.798 | 78% | 0.775 | S | S | * | * | | | | 45.1 | 111.7 | 124.7 | 60.6 | 0 | 0 | 0 | 0 | 120.5 | | |
| 130 | S | 29.9 | Very low | 34.8 | Very low | 110 Ų | 110 | 146.8 Ų | 146.8 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | | | | -159.3 | 147.8 | 113.6 | 58.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 131 | G | 40.1 | Very low | 34.6 | Very low | 77 Ų | 77 | 146.2 Ų | 146.2 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | | | trans | -84.6 | 121.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 132 | K | 35.7 | Very low | 34.8 | Very low | 188 Ų | 188 | 142.8 Ų | 142.8 | 82% | 0.817 | 77% | 0.765 | S | S | * | * | | | trans | -154.7 | 101 | 163.1 | -99.2 | 148 | -174.5 | 178 | 0 | 108.3 | R134 | K132-R134 VanDerWaalsContact C-N 3.31Å; K132-R134 PolarHBondContact O-N 2.91Å |
| 133 | K | 40.4 | Very low | 34.7 | Very low | 211 Ų | 211 | 144 Ų | 144 | 92% | 0.917 | 77% | 0.766 | S | S | * | * | | | trans | -69.9 | 91.9 | 167.8 | -72.8 | -174.7 | 178.3 | -178.2 | 0 | 107.8 | I135 | K133-I135 PolarHBondContact O-N 2.8Š|
| 134 | R | 33.3 | Very low | 34.9 | Very low | 233 Ų | 233 | 142 Ų | 142 | 88% | 0.879 | 76% | 0.759 | S | S | * | * | | | trans | -58.4 | 118.8 | 165.8 | -73.9 | 176.5 | 64.4 | -171.3 | -0.8 | 107 | K132 S136 | K132-R134 VanDerWaalsContact C-N 3.31Å; K132-R134 PolarHBondContact O-N 2.91Å; R134-S136 PolarHBondContact O-N 2.81Å |
| 135 | I | 35.7 | Very low | 35 | Very low | 154 Ų | 154 | 134.6 Ų | 134.6 | 79% | 0.79 | 74% | 0.744 | S | S | * | * | | | trans | -63.4 | 127.3 | 169.2 | -46.7 | 174.5 | 0 | 0 | 0 | 105.9 | K133 V137 | K133-I135 PolarHBondContact O-N 2.8Å; I135-V137 PolarHBondContact O-N 3.01Å |
| 136 | S | 33.3 | Very low | 35.8 | Very low | 74 Ų | 74 | 135.1 Ų | 135.1 | 52% | 0.517 | 75% | 0.745 | S | S | . | * | | | trans | -71.6 | 114.7 | 179 | -168.1 | 0 | 0 | 0 | 0 | 108.8 | R134 N138 | R134-S136 PolarHBondContact O-N 2.81Å; S136-N138 PolarHBondContact O-N 3.07Å |
| 137 | V | 41.4 | Very low | 36.2 | Very low | 144 Ų | 144 | 138.8 Ų | 138.8 | 87% | 0.873 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | 47 | -179.5 | -163.7 | 0 | 0 | 0 | 0 | 109.7 | I135 | I135-V137 PolarHBondContact O-N 3.01Š|
| 138 | N | 36.9 | Very low | 36.8 | Very low | 135 Ų | 135 | 141 Ų | 141 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.5 | -0.5 | -170.4 | -143.6 | 113.9 | 0 | 0 | 0 | 113.5 | S136 | S136-N138 PolarHBondContact O-N 3.07Š|
| 139 | D | 37.3 | Very low | 37.2 | Very low | 150 Ų | 150 | 136.7 Ų | 136.7 | 80% | 0.802 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -116.3 | 9.1 | 173.7 | -81.1 | -67.7 | 0 | 0 | 0 | 112.2 | | |
| 140 | V | 44.9 | Very low | 37.6 | Very low | 109 Ų | 109 | 138.1 Ų | 138.1 | 66% | 0.661 | 75% | 0.746 | S | S | * | * | | | trans | -130.7 | 55.4 | 177.9 | -157.9 | 0 | 0 | 0 | 0 | 109.3 | C142 | V140-C142 PolarHBondContact O-N 3.27Š|
| 141 | E | 31.3 | Very low | 38.6 | Very low | 184 Ų | 184 | 137.9 Ų | 137.9 | 86% | 0.86 | 73% | 0.729 | S | S | * | * | | | trans | -70.2 | 79.8 | 170.2 | -171.2 | 170.2 | -161.1 | 0 | 0 | 109.1 | D143 | E141-D143 PolarHBondContact O-N 2.87Š|
| 142 | C | 35 | Very low | 39.1 | Very low | 98 Ų | 98 | 139.3 Ų | 139.3 | 66% | 0.662 | 72% | 0.715 | S | S | * | * | | | trans | -72.8 | 77.5 | 170.1 | -74.4 | 0 | 0 | 0 | 0 | 109.8 | V140 V144 | V140-C142 PolarHBondContact O-N 3.27Å; C142-V144 HydrophobicContact CB-CG2 4.41Å; C142-V144 PolarHBondContact O-N 2.97Å |
| 143 | D | 35.4 | Very low | 39.7 | Very low | 127 Ų | 127 | 134.5 Ų | 134.5 | 68% | 0.679 | 70% | 0.695 | S | S | * | * | | | trans | -66 | 77.1 | 159.4 | -177.8 | 11.9 | 0 | 0 | 0 | 109.1 | E141 S145 | E141-D143 PolarHBondContact O-N 2.87Å; D143-S145 VanDerWaalsContact C-N 3.31Å; D143-S145 WeakPolarHBondContact OD1-CB 3.14Å; D143-S145 PolarHBondContact OD1-N 3.18Å; D143-S145 PolarHBondContact OD1-OG 3.33Å |
| 144 | V | 34.8 | Very low | 40.4 | Very low | 95 Ų | 95 | 129.6 Ų | 129.6 | 58% | 0.576 | 67% | 0.671 | S | S | * | * | | | trans | -94.6 | 75.3 | 159.9 | -176.4 | 0 | 0 | 0 | 0 | 105.7 | C142 L146 | C142-V144 HydrophobicContact CB-CG2 4.41Å; C142-V144 PolarHBondContact O-N 2.97Å; V144-L146 PolarHBondContact O-N 3.46Å |
| 145 | S | 37.7 | Very low | 41.5 | Very low | 81 Ų | 81 | 122.9 Ų | 122.9 | 57% | 0.566 | 65% | 0.651 | S | S | * | * | | | trans | -56.9 | 106.2 | 168.5 | 3.3 | 0 | 0 | 0 | 0 | 108.4 | D143 E147 | D143-S145 VanDerWaalsContact C-N 3.31Å; D143-S145 WeakPolarHBondContact OD1-CB 3.14Å; D143-S145 PolarHBondContact OD1-N 3.18Å; D143-S145 PolarHBondContact OD1-OG 3.33Å; S145-E147 PolarHBondContact O-N 3.36Å |
| 146 | L | 44.9 | Very low | 42.6 | Very low | 169 Ų | 169 | 118.6 Ų | 118.6 | 89% | 0.885 | 63% | 0.627 | S | S | * | * | | | trans | -73.7 | 68.8 | 172.4 | -85.4 | 166.5 | 0 | 0 | 0 | 109.6 | V144 D148 | V144-L146 PolarHBondContact O-N 3.46Å; L146-D148 PolarHBondContact O-N 3.23Å; L146-D148 VanDerWaalsContact O-N 3.17Å |
| 147 | E | 36.1 | Very low | 44.2 | Very low | 150 Ų | 150 | 118.1 Ų | 118.1 | 70% | 0.701 | 62% | 0.621 | S | S | * | * | | | trans | -78 | 93.5 | 170.2 | -162.5 | 179.9 | 92.8 | 0 | 0 | 108.3 | S145 D149 R151 | S145-E147 PolarHBondContact O-N 3.36Å; E147-D149 PolarHBondContact O-N 2.7Å; E147-D149 VanDerWaalsContact O-N 3.15Å; E147-R151 IonicContact OE1-NH2 2.66Å; E147-R151 PolarHBondContact OE1-NH2 3.18Å |
| 148 | D | 42.1 | Very low | 45.3 | Very low | 162 Ų | 162 | 113.1 Ų | 113.1 | 87% | 0.866 | 59% | 0.589 | S | S | * | * | | | trans | -64.4 | 107.6 | -177 | 176.9 | 41.8 | 0 | 0 | 0 | 111.9 | L146 | L146-D148 PolarHBondContact O-N 3.23Å; L146-D148 VanDerWaalsContact O-N 3.17Å |
| 149 | D | 40.3 | Very low | 46.3 | Very low | 89 Ų | 89 | 115 Ų | 115 | 48% | 0.476 | 59% | 0.588 | S | S | . | * | S | Bend | trans | -166.1 | 61.7 | 177.1 | -170.3 | 7.8 | 0 | 0 | 0 | 111.9 | E147 R151 | E147-D149 PolarHBondContact O-N 2.7Å; E147-D149 VanDerWaalsContact O-N 3.15Å; D149-R151 VanDerWaalsContact CB-CZ 3.5Å; D149-R151 VanDerWaalsContact CB-NH2 3.31Å; D149-R151 WeakPolarHBondContact O-CG 3.08Å; D149-R151 PolarHBondContact O-N 2.82Å; D149-R151 PolarHBondContact O-NH1 2.83Å; D149-R151 IonicContact OD1-NH1 3.13Å; D149-R151 IonicContact OD2-CZ 2.84Å; D149-R151 IonicContact OD2-NH1 3.48Å; D149-R151 PolarHBondContact OD2-NH1 2.83Å; D149-R151 IonicContact OD2-NH2 3.61Å; D149-R151 PolarHBondContact OD2-NH2 2.86Å |
| 150 | N | 42.3 | Very low | 47.6 | Very low | 161 Ų | 161 | 110.7 Ų | 110.7 | 86% | 0.861 | 57% | 0.565 | S | S | * | * | | | trans | 49 | 26.2 | 160.5 | -170.7 | 49.8 | 0 | 0 | 0 | 117.3 | | |
| 151 | R | 50.9 | Low | 48.3 | Very low | 105 Ų | 105 | 113.9 Ų | 113.9 | 40% | 0.396 | 57% | 0.57 | S | S | . | * | | | trans | -92.9 | 118 | -176 | -83.8 | 176.9 | -91.8 | -77.9 | 22.4 | 110.9 | E147 D149 E153 | E147-R151 IonicContact OE1-NH2 2.66Å; E147-R151 PolarHBondContact OE1-NH2 3.18Å; D149-R151 VanDerWaalsContact CB-CZ 3.5Å; D149-R151 VanDerWaalsContact CB-NH2 3.31Å; D149-R151 WeakPolarHBondContact O-CG 3.08Å; D149-R151 PolarHBondContact O-N 2.82Å; D149-R151 PolarHBondContact O-NH1 2.83Å; D149-R151 IonicContact OD1-NH1 3.13Å; D149-R151 IonicContact OD2-CZ 2.84Å; D149-R151 IonicContact OD2-NH1 3.48Å; D149-R151 PolarHBondContact OD2-NH1 2.83Å; D149-R151 IonicContact OD2-NH2 3.61Å; D149-R151 PolarHBondContact OD2-NH2 2.86Å; R151-E153 HydrophobicContact CB-CG 4.41Å; R151-E153 PolarHBondContact O-N 2.98Å |
| 152 | Q | 51.3 | Low | 50 | Low | 107 Ų | 107 | 110 Ų | 110 | 50% | 0.5 | 56% | 0.555 | S | S | . | * | | | trans | -75.7 | 89.1 | 175.1 | -66.1 | -173.2 | -57.7 | 0 | 0 | 110 | L198 | Q152-L198 HydrophobicContact CB-CD2 4.14Š|
| 153 | E | 48.9 | Very low | 51.2 | Low | 86 Ų | 86 | 112.3 Ų | 112.3 | 40% | 0.402 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.1 | 128.6 | 178.5 | -54.3 | -128.1 | 133.3 | 0 | 0 | 111.2 | R151 R199 | R151-E153 HydrophobicContact CB-CG 4.41Å; R151-E153 PolarHBondContact O-N 2.98Å; E153-R199 VanDerWaalsContact OE1-CD 3.23Å; E153-R199 WeakPolarHBondContact OE1-CD 3.39Å; E153-R199 IonicContact OE1-CZ 3.5Å; E153-R199 IonicContact OE1-NE 2.65Å; E153-R199 PolarHBondContact OE1-NE 3.48Å; E153-R199 IonicContact OE1-NH1 3.86Å; E153-R199 PolarHBondContact OE1-NH1 3.05Å |
| 154 | W | 55.4 | Low | 52.9 | Low | 109 Ų | 109 | 108.4 Ų | 108.4 | 41% | 0.413 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 113.3 | 176.3 | -69.2 | 59.4 | 0 | 0 | 0 | 108.7 | F156 R199 K201 | W154-F156 HydrophobicContact CB-CE2 3.94Å; W154-F156 HydrophobicContact CB-CZ 4.48Å; W154-F156 HydrophobicContact CE3-CE2 4.4Å; W154-F156 AromaticContact CE3-CZ 3.82Å; W154-F156 HydrophobicContact CE3-CZ 3.82Å; W154-R199 PolarHBondContact N-O 2.97Å; W154-K201 PolarHBondContact O-N 3.01Å |
| 155 | I | 55.3 | Low | 54.4 | Low | 92 Ų | 92 | 106 Ų | 106 | 47% | 0.472 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 121.4 | -179.5 | -55.9 | 180 | 0 | 0 | 0 | 108.5 | K201 | I155-K201 WeakPolarHBondContact CA-O 3.31Å; I155-K201 HydrophobicContact CG1-CB 4.48Å |
| 156 | F | 59.8 | Low | 55.8 | Low | 63 Ų | 63 | 108.9 Ų | 108.9 | 28% | 0.276 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 110.9 | 175.1 | -63.9 | -82.8 | 0 | 0 | 0 | 109.3 | W154 V200 K201 L202 T203 | W154-F156 HydrophobicContact CB-CE2 3.94Å; W154-F156 HydrophobicContact CB-CZ 4.48Å; W154-F156 HydrophobicContact CE3-CE2 4.4Å; W154-F156 AromaticContact CE3-CZ 3.82Å; W154-F156 HydrophobicContact CE3-CZ 3.82Å; F156-V200 HydrophobicContact CD2-CG1 4.25Å; F156-V200 HydrophobicContact CE2-CG1 4.43Å; F156-K201 PolarHBondContact N-O 3.2Å; F156-K201 VanDerWaalsContact N-O 3.1Å; F156-L202 HydrophobicContact CB-CD1 4.28Å; F156-T203 PolarHBondContact O-N 3.43Å |
| 157 | T | 66.4 | Low | 57.1 | Low | 65 Ų | 65 | 104.3 Ų | 104.3 | 40% | 0.399 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 115.8 | 165.7 | -54.2 | 0 | 0 | 0 | 0 | 107.8 | Y159 | T157-Y159 HydrophobicContact CG2-CE1 4.44Å; T157-Y159 HydrophobicContact CG2-CE2 3.81Å |
| 158 | L | 63.7 | Low | 59.1 | Low | 38 Ų | 38 | 100.5 Ų | 100.5 | 20% | 0.199 | 51% | 0.506 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 134.7 | 174.6 | -60.4 | -173.9 | 0 | 0 | 0 | 110.4 | F161 L175 L202 T203 | L158-F161 HydrophobicContact CB-CE2 4.36Å; L158-F161 HydrophobicContact CD1-CE2 4.32Å; L158-F161 HydrophobicContact CD2-CE2 4.11Å; L158-F161 HydrophobicContact CD2-CZ 4.07Å; L158-L175 HydrophobicContact CD1-CD1 3.83Å; L158-L175 HydrophobicContact CD1-CD2 3.39Å; L158-L175 HydrophobicContact CD1-CG 4.2Å; L158-L202 HydrophobicContact CD1-CD1 3.78Å; L158-L202 HydrophobicContact CG-CD1 3.85Å; L158-T203 PolarHBondContact N-O 2.74Å; L158-T203 VanDerWaalsContact N-O 3.16Å |
| 159 | Y | 59 | Low | 61 | Low | 176 Ų | 176 | 101.8 Ų | 101.8 | 69% | 0.69 | 50% | 0.504 | S | S | * | . | | | trans | -103 | 158.9 | 170.5 | -61.8 | -85.2 | 0 | 0 | 0 | 108.8 | T157 F161 | T157-Y159 HydrophobicContact CG2-CE1 4.44Å; T157-Y159 HydrophobicContact CG2-CE2 3.81Å; Y159-F161 WeakPolarHBondContact O-CD2 3.46Å; Y159-F161 PolarHBondContact O-N 3.49Å; Y159-F161 VanDerWaalsContact O-N 3.15Å |
| 160 | D | 64.2 | Low | 63.1 | Low | 59 Ų | 59 | 105 Ų | 105 | 32% | 0.316 | 52% | 0.516 | S | S | . | . | | | trans | -63.1 | 111.7 | -174.2 | -157 | 50 | 0 | 0 | 0 | 110.5 | N163 S164 G165 | D160-N163 WeakPolarHBondContact OD2-CA 3.26Å; D160-N163 PolarHBondContact OD2-N 3.47Å; D160-S164 PolarHBondContact OD2-N 3.23Å; D160-G165 WeakPolarHBondContact OD2-CA 3.39Å; D160-G165 PolarHBondContact OD2-N 3.43Å |
| 161 | F | 59.8 | Low | 65 | Low | 175 Ų | 175 | 101.1 Ų | 101.1 | 77% | 0.768 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -80.9 | -21.9 | -170.8 | -72.9 | -73.1 | 0 | 0 | 0 | 114 | L158 Y159 | L158-F161 HydrophobicContact CB-CE2 4.36Å; L158-F161 HydrophobicContact CD1-CE2 4.32Å; L158-F161 HydrophobicContact CD2-CE2 4.11Å; L158-F161 HydrophobicContact CD2-CZ 4.07Å; Y159-F161 WeakPolarHBondContact O-CD2 3.46Å; Y159-F161 PolarHBondContact O-N 3.49Å; Y159-F161 VanDerWaalsContact O-N 3.15Å |
| 162 | D | 67 | Low | 66.4 | Low | 102 Ų | 102 | 99.4 Ų | 99.4 | 55% | 0.545 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -116.6 | 4.4 | -176.2 | 74.3 | -19.5 | 0 | 0 | 0 | 113.4 | S164 | D162-S164 VanDerWaalsContact CG-CB 3.49Å; D162-S164 VanDerWaalsContact CG-OG 3.23Å; D162-S164 PolarHBondContact O-N 2.99Å; D162-S164 WeakPolarHBondContact OD1-CB 3.18Å; D162-S164 PolarHBondContact OD1-N 2.77Å; D162-S164 PolarHBondContact OD1-OG 3.08Å; D162-S164 VanDerWaalsContact OD2-CB 3.26Å; D162-S164 WeakPolarHBondContact OD2-CB 3.43Å; D162-S164 PolarHBondContact OD2-OG 3.05Å; D162-S164 VanDerWaalsContact OD2-OG 3.09Å |
| 163 | N | 60.3 | Low | 67.9 | Low | 147 Ų | 147 | 97 Ų | 97 | 79% | 0.786 | 49% | 0.488 | S | S | * | . | S | Bend | trans | 55.8 | 21.7 | -174.5 | -57.8 | -18.4 | 0 | 0 | 0 | 114.5 | D160 | D160-N163 WeakPolarHBondContact OD2-CA 3.26Å; D160-N163 PolarHBondContact OD2-N 3.47Å |
| 164 | S | 70.5 | Confident | 69.5 | Low | 45 Ų | 45 | 96.2 Ų | 96.2 | 32% | 0.315 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -80.2 | -16.6 | -179.8 | 69.4 | 0 | 0 | 0 | 0 | 114.5 | D160 D162 K166 | D160-S164 PolarHBondContact OD2-N 3.23Å; D162-S164 VanDerWaalsContact CG-CB 3.49Å; D162-S164 VanDerWaalsContact CG-OG 3.23Å; D162-S164 PolarHBondContact O-N 2.99Å; D162-S164 WeakPolarHBondContact OD1-CB 3.18Å; D162-S164 PolarHBondContact OD1-N 2.77Å; D162-S164 PolarHBondContact OD1-OG 3.08Å; D162-S164 VanDerWaalsContact OD2-CB 3.26Å; D162-S164 WeakPolarHBondContact OD2-CB 3.43Å; D162-S164 PolarHBondContact OD2-OG 3.05Å; D162-S164 VanDerWaalsContact OD2-OG 3.09Å; S164-K166 PolarHBondContact O-N 2.92Å; S164-K166 PolarHBondContact OG-N 3.3Å; S164-K166 VanDerWaalsContact OG-N 3.13Å; S164-K166 PolarHBondContact OG-O 3.11Å |
| 165 | G | 66.6 | Low | 70.9 | Confident | 46 Ų | 46 | 92.8 Ų | 92.8 | 47% | 0.474 | 48% | 0.481 | S | S | . | . | S | Bend | trans | 62.1 | 28.7 | -168.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | D160 R209 | D160-G165 WeakPolarHBondContact OD2-CA 3.39Å; D160-G165 PolarHBondContact OD2-N 3.43Å; G165-R209 PolarHBondContact O-NH2 3.33Å |
| 166 | K | 66.4 | Low | 72.3 | Confident | 141 Ų | 141 | 91.2 Ų | 91.2 | 61% | 0.613 | 47% | 0.473 | S | S | * | . | | | trans | -153.4 | 84.3 | -168.7 | -64.7 | 175.6 | -172.4 | 171.8 | 0 | 112.9 | S164 T168 | S164-K166 PolarHBondContact O-N 2.92Å; S164-K166 PolarHBondContact OG-N 3.3Å; S164-K166 VanDerWaalsContact OG-N 3.13Å; S164-K166 PolarHBondContact OG-O 3.11Å; K166-T168 PolarHBondContact O-N 3.14Å |
| 167 | V | 71.9 | Confident | 73.3 | Confident | 73 Ų | 73 | 92.5 Ų | 92.5 | 44% | 0.442 | 48% | 0.48 | S | S | . | . | | | trans | -59.3 | 123.4 | 168.2 | -164.9 | 0 | 0 | 0 | 0 | 110.2 | D171 M172 V204 | V167-D171 HydrophobicContact CG1-CB 3.93Å; V167-M172 HydrophobicContact CG1-CG 3.74Å; V167-M172 HydrophobicContact CG1-SD 3.83Å; V167-V204 HydrophobicContact CG2-CG1 3.92Å |
| 168 | T | 78.7 | Confident | 74.2 | Confident | 69 Ų | 69 | 91.9 Ų | 91.9 | 42% | 0.423 | 48% | 0.476 | S | S | . | . | | | trans | -83.9 | 169 | 179.5 | 80.9 | 0 | 0 | 0 | 0 | 111.7 | K166 E170 D171 M172 | K166-T168 PolarHBondContact O-N 3.14Å; T168-E170 PolarHBondContact O-N 3.37Å; T168-E170 PolarHBondContact OG1-N 3.03Å; T168-E170 VanDerWaalsContact OG1-N 3.16Å; T168-D171 WeakPolarHBondContact CA-OD2 3.25Å; T168-D171 WeakPolarHBondContact CB-OD2 3.35Å; T168-D171 WeakPolarHBondContact CG2-OD2 3.31Å; T168-D171 PolarHBondContact N-OD2 3.25Å; T168-D171 VanDerWaalsContact OG1-CG 3.3Å; T168-D171 PolarHBondContact OG1-N 3.01Å; T168-D171 PolarHBondContact OG1-OD2 3.25Å; T168-M172 PolarHBondContact O-N 3.47Å |
| 169 | K | 81.6 | Confident | 75.1 | Confident | 189 Ų | 189 | 91.1 Ų | 91.1 | 82% | 0.822 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -61.8 | -32.5 | 171.5 | -174.4 | -174.7 | 173.3 | -168.2 | 0 | 111.8 | S173 | K169-S173 WeakPolarHBondContact O-CB 3.48Å; K169-S173 PolarHBondContact O-N 3.44Å |
| 170 | E | 85.1 | Confident | 76.1 | Confident | 157 Ų | 157 | 89.6 Ų | 89.6 | 73% | 0.734 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -71.7 | -42.4 | -177.7 | -170.4 | 161.4 | -169.7 | 0 | 0 | 110.9 | T168 S173 S174 | T168-E170 PolarHBondContact O-N 3.37Å; T168-E170 PolarHBondContact OG1-N 3.03Å; T168-E170 VanDerWaalsContact OG1-N 3.16Å; E170-S173 PolarHBondContact O-N 3.31Å; E170-S173 VanDerWaalsContact O-N 3.16Å; E170-S174 WeakPolarHBondContact O-CB 3.36Å; E170-S174 PolarHBondContact O-N 2.98Å |
| 171 | D | 81.3 | Confident | 77 | Confident | 80 Ų | 80 | 92 Ų | 92 | 43% | 0.428 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.5 | -47.7 | 176 | -49.8 | -57.6 | 0 | 0 | 0 | 111.5 | V167 T168 S173 S174 L175 | V167-D171 HydrophobicContact CG1-CB 3.93Å; T168-D171 WeakPolarHBondContact CA-OD2 3.25Å; T168-D171 WeakPolarHBondContact CB-OD2 3.35Å; T168-D171 WeakPolarHBondContact CG2-OD2 3.31Å; T168-D171 PolarHBondContact N-OD2 3.25Å; T168-D171 VanDerWaalsContact OG1-CG 3.3Å; T168-D171 PolarHBondContact OG1-N 3.01Å; T168-D171 PolarHBondContact OG1-OD2 3.25Å; D171-S173 VanDerWaalsContact C-N 3.27Å; D171-S173 PolarHBondContact O-N 3.01Å; D171-S174 PolarHBondContact O-N 3.34Å; D171-L175 VanDerWaalsContact O-CB 3.28Å; D171-L175 WeakPolarHBondContact O-CB 3.43Å; D171-L175 PolarHBondContact O-N 2.97Å |
| 172 | M | 81.8 | Confident | 78 | Confident | 68 Ų | 68 | 87.8 Ų | 87.8 | 34% | 0.335 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.8 | -36.8 | 175.4 | -69.7 | -64.1 | -67.3 | 0 | 0 | 111.9 | V167 T168 M176 L202 V204 | V167-M172 HydrophobicContact CG1-CG 3.74Å; V167-M172 HydrophobicContact CG1-SD 3.83Å; T168-M172 PolarHBondContact O-N 3.47Å; M172-M176 WeakPolarHBondContact O-CB 3.25Å; M172-M176 VanDerWaalsContact O-CG 3.24Å; M172-M176 WeakPolarHBondContact O-CG 3.48Å; M172-M176 PolarHBondContact O-N 3.41Å; M172-M176 VanDerWaalsContact O-N 3.12Å; M172-L202 HydrophobicContact CE-CD2 3.64Å; M172-L202 HydrophobicContact SD-CD2 4.33Å; M172-V204 HydrophobicContact SD-CG2 4.45Å |
| 173 | S | 81.3 | Confident | 78.6 | Confident | 56 Ų | 56 | 85 Ų | 85 | 39% | 0.392 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -70.4 | -45.4 | 177.1 | -153.9 | 0 | 0 | 0 | 0 | 111.5 | K169 E170 D171 M176 H177 | K169-S173 WeakPolarHBondContact O-CB 3.48Å; K169-S173 PolarHBondContact O-N 3.44Å; E170-S173 PolarHBondContact O-N 3.31Å; E170-S173 VanDerWaalsContact O-N 3.16Å; D171-S173 VanDerWaalsContact C-N 3.27Å; D171-S173 PolarHBondContact O-N 3.01Å; S173-M176 PolarHBondContact O-N 3.13Å; S173-H177 PolarHBondContact O-CD2 3.43Å; S173-H177 PolarHBondContact O-N 3.09Å |
| 174 | S | 83.7 | Confident | 79.4 | Confident | 70 Ų | 70 | 82.5 Ų | 82.5 | 49% | 0.49 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62 | -44.3 | 179.5 | -176.4 | 0 | 0 | 0 | 0 | 112.1 | E170 D171 H177 T178 | E170-S174 WeakPolarHBondContact O-CB 3.36Å; E170-S174 PolarHBondContact O-N 2.98Å; D171-S174 PolarHBondContact O-N 3.34Å; S174-H177 PolarHBondContact O-N 3.37Å; S174-T178 PolarHBondContact O-N 3.14Å; S174-T178 PolarHBondContact O-OG1 3.17Å |
| 175 | L | 83.4 | Confident | 79.6 | Confident | 37 Ų | 37 | 82.3 Ų | 82.3 | 19% | 0.194 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -57.5 | -52.9 | 171.2 | 175.1 | 73.9 | 0 | 0 | 0 | 111.7 | L158 D171 H177 T178 I179 L202 | L158-L175 HydrophobicContact CD1-CD1 3.83Å; L158-L175 HydrophobicContact CD1-CD2 3.39Å; L158-L175 HydrophobicContact CD1-CG 4.2Å; D171-L175 VanDerWaalsContact O-CB 3.28Å; D171-L175 WeakPolarHBondContact O-CB 3.43Å; D171-L175 PolarHBondContact O-N 2.97Å; L175-H177 VanDerWaalsContact C-N 3.34Å; L175-H177 PolarHBondContact O-N 3.16Å; L175-T178 WeakPolarHBondContact O-CB 3.18Å; L175-T178 PolarHBondContact O-N 3.15Å; L175-I179 HydrophobicContact CD1-CD1 4.09Å; L175-I179 HydrophobicContact CG-CD1 3.94Å; L175-I179 WeakPolarHBondContact O-CG1 3.4Å; L175-I179 PolarHBondContact O-N 2.65Å; L175-L202 HydrophobicContact CD2-CD1 3.82Å; L175-L202 HydrophobicContact CD2-CD2 3.47Å; L175-L202 VanDerWaalsContact CD2-CD2 3.47Å; L175-L202 HydrophobicContact CD2-CG 4.31Å |
| 176 | M | 86.1 | Confident | 79.4 | Confident | 60 Ų | 60 | 83 Ų | 83 | 30% | 0.296 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.2 | -38.9 | -177.8 | -74.1 | -58.6 | -52.5 | 0 | 0 | 111.9 | M172 S173 I179 Y180 | M172-M176 WeakPolarHBondContact O-CB 3.25Å; M172-M176 VanDerWaalsContact O-CG 3.24Å; M172-M176 WeakPolarHBondContact O-CG 3.48Å; M172-M176 PolarHBondContact O-N 3.41Å; M172-M176 VanDerWaalsContact O-N 3.12Å; S173-M176 PolarHBondContact O-N 3.13Å; M176-I179 PolarHBondContact O-N 3.17Å; M176-I179 HydrophobicContact SD-CD1 4.35Å; M176-Y180 HydrophobicContact CB-CD2 4.45Å; M176-Y180 HydrophobicContact CB-CE2 4.32Å; M176-Y180 HydrophobicContact CE-CD2 4.27Å; M176-Y180 HydrophobicContact CE-CE2 3.52Å; M176-Y180 WeakPolarHBondContact O-CD2 3.4Å; M176-Y180 PolarHBondContact O-N 2.86Å |
| 177 | H | 80.9 | Confident | 79 | Confident | 90 Ų | 90 | 79.3 Ų | 79.3 | 42% | 0.417 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -58.2 | -49 | 171 | -78.4 | -61.8 | 0 | 0 | 0 | 111.6 | S173 S174 L175 I179 Y180 D181 | S173-H177 PolarHBondContact O-CD2 3.43Å; S173-H177 PolarHBondContact O-N 3.09Å; S174-H177 PolarHBondContact O-N 3.37Å; L175-H177 VanDerWaalsContact C-N 3.34Å; L175-H177 PolarHBondContact O-N 3.16Å; H177-I179 VanDerWaalsContact C-N 3.28Å; H177-I179 PolarHBondContact O-N 3.2Å; H177-Y180 PolarHBondContact O-N 2.75Å; H177-Y180 VanDerWaalsContact O-N 3.12Å; H177-D181 VanDerWaalsContact O-CG 3.32Å; H177-D181 PolarHBondContact O-N 3.21Å |
| 178 | T | 85.5 | Confident | 78.2 | Confident | 51 Ų | 51 | 80.6 Ų | 80.6 | 31% | 0.313 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -59.1 | -39.2 | 178.5 | -54 | 0 | 0 | 0 | 0 | 112 | L32 S174 L175 V182 | L32-T178 HydrophobicContact CD2-CG2 4.4Å; S174-T178 PolarHBondContact O-N 3.14Å; S174-T178 PolarHBondContact O-OG1 3.17Å; L175-T178 WeakPolarHBondContact O-CB 3.18Å; L175-T178 PolarHBondContact O-N 3.15Å; T178-V182 VanDerWaalsContact O-CG2 3.31Å; T178-V182 WeakPolarHBondContact O-CG2 3.33Å; T178-V182 PolarHBondContact O-N 3.36Å |
| 179 | I | 81.7 | Confident | 76.8 | Confident | 23 Ų | 23 | 85 Ų | 85 | 12% | 0.118 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -66.8 | -45.9 | 175.4 | -68 | 168.4 | 0 | 0 | 0 | 110.9 | L175 M176 H177 V183 V200 | L175-I179 HydrophobicContact CD1-CD1 4.09Å; L175-I179 HydrophobicContact CG-CD1 3.94Å; L175-I179 WeakPolarHBondContact O-CG1 3.4Å; L175-I179 PolarHBondContact O-N 2.65Å; M176-I179 PolarHBondContact O-N 3.17Å; M176-I179 HydrophobicContact SD-CD1 4.35Å; H177-I179 VanDerWaalsContact C-N 3.28Å; H177-I179 PolarHBondContact O-N 3.2Å; I179-V183 HydrophobicContact CG2-CG2 4.45Å; I179-V183 WeakPolarHBondContact O-CB 3.23Å; I179-V183 VanDerWaalsContact O-CG2 3.27Å; I179-V183 WeakPolarHBondContact O-CG2 3.29Å; I179-V183 PolarHBondContact O-N 3.04Å; I179-V200 HydrophobicContact CD1-CG1 4.36Å; I179-V200 HydrophobicContact CG2-CG1 4.28Å; I179-V200 HydrophobicContact CG2-CG2 4.11Å |
| 180 | Y | 80.9 | Confident | 75.2 | Confident | 144 Ų | 144 | 78.3 Ų | 78.3 | 57% | 0.565 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -64.1 | -44.7 | 179.1 | -76.7 | -56.9 | 0 | 0 | 0 | 112.5 | M176 H177 V182 V183 D184 | M176-Y180 HydrophobicContact CB-CD2 4.45Å; M176-Y180 HydrophobicContact CB-CE2 4.32Å; M176-Y180 HydrophobicContact CE-CD2 4.27Å; M176-Y180 HydrophobicContact CE-CE2 3.52Å; M176-Y180 WeakPolarHBondContact O-CD2 3.4Å; M176-Y180 PolarHBondContact O-N 2.86Å; H177-Y180 PolarHBondContact O-N 2.75Å; H177-Y180 VanDerWaalsContact O-N 3.12Å; Y180-V182 VanDerWaalsContact C-N 3.34Å; Y180-V182 PolarHBondContact O-N 3.26Å; Y180-V183 PolarHBondContact O-N 3.25Å; Y180-D184 VanDerWaalsContact O-CB 3.32Å; Y180-D184 WeakPolarHBondContact O-CB 3.39Å; Y180-D184 PolarHBondContact O-N 2.91Å |
| 181 | D | 83.2 | Confident | 73.2 | Confident | 110 Ų | 110 | 77 Ų | 77 | 59% | 0.588 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -62 | -40.3 | -179.8 | -69.1 | -8.2 | 0 | 0 | 0 | 112 | H177 A185 | H177-D181 VanDerWaalsContact O-CG 3.32Å; H177-D181 PolarHBondContact O-N 3.21Å; D181-A185 WeakPolarHBondContact O-CB 3.3Å; D181-A185 PolarHBondContact O-N 3.34Å; D181-A185 VanDerWaalsContact O-N 3.09Å |
| 182 | V | 81.2 | Confident | 71.6 | Confident | 85 Ų | 85 | 81.7 Ų | 81.7 | 52% | 0.515 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -70.6 | -41.1 | 176.6 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | T178 Y180 S186 | T178-V182 VanDerWaalsContact O-CG2 3.31Å; T178-V182 WeakPolarHBondContact O-CG2 3.33Å; T178-V182 PolarHBondContact O-N 3.36Å; Y180-V182 VanDerWaalsContact C-N 3.34Å; Y180-V182 PolarHBondContact O-N 3.26Å; V182-S186 VanDerWaalsContact O-CB 3.29Å; V182-S186 WeakPolarHBondContact O-CB 3.33Å; V182-S186 PolarHBondContact O-N 2.8Å; V182-S186 PolarHBondContact O-OG 2.87Å |
| 183 | V | 78.3 | Confident | 69.9 | Low | 45 Ų | 45 | 80.6 Ų | 80.6 | 27% | 0.273 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.1 | -50.4 | 176.2 | 165 | 0 | 0 | 0 | 0 | 110.7 | I179 Y180 A185 S186 V187 L198 | I179-V183 HydrophobicContact CG2-CG2 4.45Å; I179-V183 WeakPolarHBondContact O-CB 3.23Å; I179-V183 VanDerWaalsContact O-CG2 3.27Å; I179-V183 WeakPolarHBondContact O-CG2 3.29Å; I179-V183 PolarHBondContact O-N 3.04Å; Y180-V183 PolarHBondContact O-N 3.25Å; V183-A185 PolarHBondContact O-N 2.79Å; V183-S186 PolarHBondContact O-N 3.21Å; V183-S186 VanDerWaalsContact O-N 3.14Å; V183-S186 PolarHBondContact O-OG 3.38Å; V183-V187 HydrophobicContact CG1-CG2 4.49Å; V183-V187 WeakPolarHBondContact O-CG2 3.31Å; V183-V187 PolarHBondContact O-N 2.91Å; V183-L198 HydrophobicContact CG1-CD1 4.16Å; V183-L198 HydrophobicContact CG2-CD1 4.06Å |
| 184 | D | 78.2 | Confident | 68.5 | Low | 94 Ų | 94 | 87 Ų | 87 | 50% | 0.503 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -56.8 | -50.6 | 178.7 | 179.9 | 77.3 | 0 | 0 | 0 | 111.8 | Y180 S186 V187 N188 | Y180-D184 VanDerWaalsContact O-CB 3.32Å; Y180-D184 WeakPolarHBondContact O-CB 3.39Å; Y180-D184 PolarHBondContact O-N 2.91Å; D184-S186 VanDerWaalsContact C-N 3.31Å; D184-S186 PolarHBondContact O-N 2.94Å; D184-V187 PolarHBondContact O-N 3.29Å; D184-N188 VanDerWaalsContact O-CB 3.3Å; D184-N188 WeakPolarHBondContact O-CB 3.37Å; D184-N188 VanDerWaalsContact O-CG 3.3Å; D184-N188 PolarHBondContact O-N 3.2Å; D184-N188 PolarHBondContact O-ND2 3.14Å; D184-N188 PolarHBondContact OD1-ND2 3.1Å; D184-N188 PolarHBondContact OD2-ND2 2.57Å |
| 185 | A | 72.9 | Confident | 66.9 | Low | 40 Ų | 40 | 89.2 Ų | 89.2 | 33% | 0.331 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.6 | -42.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D181 V183 V187 H189 | D181-A185 WeakPolarHBondContact O-CB 3.3Å; D181-A185 PolarHBondContact O-N 3.34Å; D181-A185 VanDerWaalsContact O-N 3.09Å; V183-A185 PolarHBondContact O-N 2.79Å; A185-V187 VanDerWaalsContact C-N 3.33Å; A185-V187 PolarHBondContact O-N 3Å; A185-H189 PolarHBondContact O-CD2 2.86Å; A185-H189 PolarHBondContact O-N 3.48Å; A185-H189 VanDerWaalsContact O-N 3.12Å |
| 186 | S | 62.8 | Low | 65.4 | Low | 62 Ų | 62 | 93.1 Ų | 93.1 | 43% | 0.434 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.6 | -32.7 | 179.4 | 78.5 | 0 | 0 | 0 | 0 | 113.9 | V182 V183 D184 | V182-S186 VanDerWaalsContact O-CB 3.29Å; V182-S186 WeakPolarHBondContact O-CB 3.33Å; V182-S186 PolarHBondContact O-N 2.8Å; V182-S186 PolarHBondContact O-OG 2.87Å; V183-S186 PolarHBondContact O-N 3.21Å; V183-S186 VanDerWaalsContact O-N 3.14Å; V183-S186 PolarHBondContact O-OG 3.38Å; D184-S186 VanDerWaalsContact C-N 3.31Å; D184-S186 PolarHBondContact O-N 2.94Å |
| 187 | V | 58.7 | Low | 63.7 | Low | 63 Ų | 63 | 95.8 Ų | 95.8 | 38% | 0.382 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -78.5 | -47.4 | 176.4 | 172 | 0 | 0 | 0 | 0 | 110.4 | V183 D184 A185 H189 S190 | V183-V187 HydrophobicContact CG1-CG2 4.49Å; V183-V187 WeakPolarHBondContact O-CG2 3.31Å; V183-V187 PolarHBondContact O-N 2.91Å; D184-V187 PolarHBondContact O-N 3.29Å; A185-V187 VanDerWaalsContact C-N 3.33Å; A185-V187 PolarHBondContact O-N 3Å; V187-H189 VanDerWaalsContact C-N 3.25Å; V187-H189 PolarHBondContact O-N 3.07Å; V187-S190 PolarHBondContact O-N 3.15Å |
| 188 | N | 54.6 | Low | 62.6 | Low | 99 Ų | 99 | 94.2 Ų | 94.2 | 53% | 0.529 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.7 | -22.3 | -176.6 | -72 | -31.3 | 0 | 0 | 0 | 113.7 | D184 | D184-N188 VanDerWaalsContact O-CB 3.3Å; D184-N188 WeakPolarHBondContact O-CB 3.37Å; D184-N188 VanDerWaalsContact O-CG 3.3Å; D184-N188 PolarHBondContact O-N 3.2Å; D184-N188 PolarHBondContact O-ND2 3.14Å; D184-N188 PolarHBondContact OD1-ND2 3.1Å; D184-N188 PolarHBondContact OD2-ND2 2.57Å |
| 189 | H | 49.6 | Very low | 61.4 | Low | 161 Ų | 161 | 98.7 Ų | 98.7 | 75% | 0.745 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -6.6 | 171.8 | -69.3 | -45.7 | 0 | 0 | 0 | 114.7 | A185 V187 | A185-H189 PolarHBondContact O-CD2 2.86Å; A185-H189 PolarHBondContact O-N 3.48Å; A185-H189 VanDerWaalsContact O-N 3.12Å; V187-H189 VanDerWaalsContact C-N 3.25Å; V187-H189 PolarHBondContact O-N 3.07Å |
| 190 | S | 48.9 | Very low | 60.4 | Low | 49 Ų | 49 | 100.5 Ų | 100.5 | 34% | 0.343 | 54% | 0.535 | S | S | . | . | | | trans | -110 | 75.5 | -173.5 | -158.3 | 0 | 0 | 0 | 0 | 112.8 | V187 H192 N193 | V187-S190 PolarHBondContact O-N 3.15Å; S190-H192 PolarHBondContact O-N 3.47Å; S190-N193 PolarHBondContact O-N 3.16Å; S190-N193 PolarHBondContact O-OD1 3.38Å |
| 191 | C | 42.5 | Very low | 59.3 | Low | 129 Ų | 129 | 98.1 Ų | 98.1 | 87% | 0.872 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | 17.7 | -176.9 | -52.4 | 0 | 0 | 0 | 0 | 116.1 | | |
| 192 | H | 48.4 | Very low | 58.5 | Low | 180 Ų | 180 | 95.1 Ų | 95.1 | 83% | 0.833 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -145.8 | 0.7 | -175.1 | -153.1 | 73.6 | 0 | 0 | 0 | 115.1 | S190 K194 | S190-H192 PolarHBondContact O-N 3.47Å; H192-K194 PolarHBondContact O-N 2.65Å; H192-K194 VanDerWaalsContact O-N 3.15Å |
| 193 | N | 46 | Very low | 57.6 | Low | 44 Ų | 44 | 93.9 Ų | 93.9 | 24% | 0.235 | 50% | 0.504 | C | S | . | . | | | trans | -88.2 | 79.8 | -177.5 | 69.1 | -22.8 | 0 | 0 | 0 | 113.1 | S190 S195 K196 | S190-N193 PolarHBondContact O-N 3.16Å; S190-N193 PolarHBondContact O-OD1 3.38Å; N193-S195 PolarHBondContact O-N 3.27Å; N193-K196 HydrophobicContact CB-CD 4.19Å; N193-K196 HydrophobicContact CB-CG 4.23Å |
| 194 | K | 51.6 | Low | 56.6 | Low | 192 Ų | 192 | 94.7 Ų | 94.7 | 84% | 0.835 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -33.7 | 104.5 | 165 | 51.5 | -174.4 | 176.9 | -178.5 | 0 | 113 | H192 K196 | H192-K194 PolarHBondContact O-N 2.65Å; H192-K194 VanDerWaalsContact O-N 3.15Å; K194-K196 PolarHBondContact O-N 3.5Å |
| 195 | S | 50.4 | Low | 55.3 | Low | 115 Ų | 115 | 94.6 Ų | 94.6 | 80% | 0.804 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 35.6 | 63.8 | 171.6 | 61.7 | 0 | 0 | 0 | 0 | 116.6 | N193 T197 | N193-S195 PolarHBondContact O-N 3.27Å; S195-T197 PolarHBondContact O-N 2.91Å |
| 196 | K | 51.9 | Low | 54.2 | Low | 120 Ų | 120 | 97.8 Ų | 97.8 | 52% | 0.522 | 53% | 0.529 | S | S | . | . | | | trans | -79.3 | 107.6 | 167.1 | -75 | -167 | 175.7 | -168.7 | 0 | 111.3 | N193 K194 | N193-K196 HydrophobicContact CB-CD 4.19Å; N193-K196 HydrophobicContact CB-CG 4.23Å; K194-K196 PolarHBondContact O-N 3.5Å |
| 197 | T | 48.9 | Very low | 53.3 | Low | 116 Ų | 116 | 103.2 Ų | 103.2 | 71% | 0.712 | 55% | 0.547 | S | S | * | . | | | trans | -86.7 | 107.9 | 172.7 | -46.4 | 0 | 0 | 0 | 0 | 110.3 | S195 | S195-T197 PolarHBondContact O-N 2.91Š|
| 198 | L | 59.4 | Low | 52.4 | Low | 56 Ų | 56 | 105.9 Ų | 105.9 | 29% | 0.293 | 57% | 0.566 | S | S | . | * | | | trans | -80.1 | 128.4 | 174.8 | -67.1 | 174.9 | 0 | 0 | 0 | 110.7 | Q152 V183 | Q152-L198 HydrophobicContact CB-CD2 4.14Å; V183-L198 HydrophobicContact CG1-CD1 4.16Å; V183-L198 HydrophobicContact CG2-CD1 4.06Å |
| 199 | R | 59.3 | Low | 51.7 | Low | 146 Ų | 146 | 110.2 Ų | 110.2 | 55% | 0.551 | 58% | 0.575 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -102.7 | 107.4 | 173.5 | -67 | -178 | 73.3 | -158.4 | 14.1 | 109 | E153 W154 | E153-R199 VanDerWaalsContact OE1-CD 3.23Å; E153-R199 WeakPolarHBondContact OE1-CD 3.39Å; E153-R199 IonicContact OE1-CZ 3.5Å; E153-R199 IonicContact OE1-NE 2.65Å; E153-R199 PolarHBondContact OE1-NE 3.48Å; E153-R199 IonicContact OE1-NH1 3.86Å; E153-R199 PolarHBondContact OE1-NH1 3.05Å; W154-R199 PolarHBondContact N-O 2.97Å |
| 200 | V | 60.6 | Low | 51 | Low | 61 Ų | 61 | 107.7 Ų | 107.7 | 37% | 0.37 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.4 | 121 | 173 | -178.3 | 0 | 0 | 0 | 0 | 108.7 | F156 I179 | F156-V200 HydrophobicContact CD2-CG1 4.25Å; F156-V200 HydrophobicContact CE2-CG1 4.43Å; I179-V200 HydrophobicContact CD1-CG1 4.36Å; I179-V200 HydrophobicContact CG2-CG1 4.28Å; I179-V200 HydrophobicContact CG2-CG2 4.11Å |
| 201 | K | 57.7 | Low | 50.4 | Low | 94 Ų | 94 | 113 Ų | 113 | 41% | 0.409 | 60% | 0.595 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114 | 102.8 | 172.9 | -170.8 | 172.9 | 68.4 | -172.6 | 0 | 109.2 | W154 I155 F156 | W154-K201 PolarHBondContact O-N 3.01Å; I155-K201 WeakPolarHBondContact CA-O 3.31Å; I155-K201 HydrophobicContact CG1-CB 4.48Å; F156-K201 PolarHBondContact N-O 3.2Å; F156-K201 VanDerWaalsContact N-O 3.1Å |
| 202 | L | 67.5 | Low | 50.4 | Low | 46 Ų | 46 | 118.1 Ų | 118.1 | 24% | 0.241 | 60% | 0.596 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.4 | 134.9 | 171.2 | 178.9 | 60.2 | 0 | 0 | 0 | 109.4 | F156 L158 M172 L175 | F156-L202 HydrophobicContact CB-CD1 4.28Å; L158-L202 HydrophobicContact CD1-CD1 3.78Å; L158-L202 HydrophobicContact CG-CD1 3.85Å; M172-L202 HydrophobicContact CE-CD2 3.64Å; M172-L202 HydrophobicContact SD-CD2 4.33Å; L175-L202 HydrophobicContact CD2-CD1 3.82Å; L175-L202 HydrophobicContact CD2-CD2 3.47Å; L175-L202 VanDerWaalsContact CD2-CD2 3.47Å; L175-L202 HydrophobicContact CD2-CG 4.31Å |
| 203 | T | 62.5 | Low | 50 | Low | 59 Ų | 59 | 119.2 Ų | 119.2 | 36% | 0.362 | 59% | 0.592 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -132.2 | 127.8 | 172.5 | -60.6 | 0 | 0 | 0 | 0 | 109.7 | F156 L158 | F156-T203 PolarHBondContact O-N 3.43Å; L158-T203 PolarHBondContact N-O 2.74Å; L158-T203 VanDerWaalsContact N-O 3.16Å |
| 204 | V | 56 | Low | 49.4 | Very low | 62 Ų | 62 | 123.4 Ų | 123.4 | 38% | 0.376 | 62% | 0.615 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.5 | 117.5 | 176.6 | 179 | 0 | 0 | 0 | 0 | 106.7 | V167 M172 P206 | V167-V204 HydrophobicContact CG2-CG1 3.92Å; M172-V204 HydrophobicContact SD-CG2 4.45Å; V204-P206 VanDerWaalsContact O-CD 3.31Å; V204-P206 WeakPolarHBondContact O-CD 3.5Å |
| 205 | T | 51.2 | Low | 48.9 | Very low | 92 Ų | 92 | 120.2 Ų | 120.2 | 56% | 0.564 | 61% | 0.611 | S | S | * | * | | | trans | -96.1 | 106.6 | 178.9 | -57.7 | 0 | 0 | 0 | 0 | 108.9 | E207 | T205-E207 PolarHBondContact O-N 2.95Š|
| 206 | P | 49.2 | Very low | 48.3 | Very low | 108 Ų | 108 | 117.5 Ų | 117.5 | 70% | 0.701 | 60% | 0.602 | S | S | * | * | | | trans | -68.3 | 129.2 | 172.8 | 29.2 | -33.4 | 0 | 0 | 0 | 109.3 | V204 | V204-P206 VanDerWaalsContact O-CD 3.31Å; V204-P206 WeakPolarHBondContact O-CD 3.5Å |
| 207 | E | 44.6 | Very low | 47.9 | Very low | 175 Ų | 175 | 116.2 Ų | 116.2 | 82% | 0.818 | 61% | 0.613 | S | S | * | * | | | trans | -66.2 | 130.2 | 177.1 | -166.5 | 176.1 | -172.5 | 0 | 0 | 110.3 | T205 R209 | T205-E207 PolarHBondContact O-N 2.95Å; E207-R209 PolarHBondContact O-N 3.27Å |
| 208 | P | 38.9 | Very low | 47 | Very low | 120 Ų | 120 | 119.5 Ų | 119.5 | 78% | 0.779 | 62% | 0.621 | S | S | * | * | | | trans | -70.4 | 90.2 | -176.7 | 27.9 | -35.1 | 0 | 0 | 0 | 110.9 | S210 | P208-S210 PolarHBondContact O-N 3.43Š|
| 209 | R | 40.7 | Very low | 45.8 | Very low | 190 Ų | 190 | 127.4 Ų | 127.4 | 72% | 0.717 | 65% | 0.647 | S | S | * | * | | | trans | -42.9 | 113.5 | 178.2 | -67.9 | 177.5 | 176.1 | -106.4 | -13.7 | 111 | G165 E207 H211 | G165-R209 PolarHBondContact O-NH2 3.33Å; E207-R209 PolarHBondContact O-N 3.27Å; R209-H211 PolarHBondContact O-N 3.39Å |
| 210 | S | 33.9 | Very low | 44.4 | Very low | 107 Ų | 107 | 125.4 Ų | 125.4 | 75% | 0.748 | 65% | 0.654 | S | S | * | * | | | trans | -61.5 | 113.1 | 177 | 75.1 | 0 | 0 | 0 | 0 | 109.6 | P208 R212 | P208-S210 PolarHBondContact O-N 3.43Å; S210-R212 VanDerWaalsContact C-N 3.26Å; S210-R212 PolarHBondContact O-N 2.81Å |
| 211 | H | 36.6 | Very low | 43.1 | Very low | 161 Ų | 161 | 131 Ų | 131 | 75% | 0.745 | 68% | 0.675 | S | S | * | * | | | trans | -73.3 | 82.5 | -178.8 | 177.9 | 69.6 | 0 | 0 | 0 | 109.9 | R209 R213 | R209-H211 PolarHBondContact O-N 3.39Å; H211-R213 PolarHBondContact O-N 2.9Å |
| 212 | R | 42.9 | Very low | 41.8 | Very low | 236 Ų | 236 | 133.4 Ų | 133.4 | 89% | 0.891 | 69% | 0.688 | S | S | * | * | | | trans | -73.8 | 67.8 | 166.5 | -104.2 | -169.1 | 177.1 | -111.5 | 5.2 | 110.3 | S210 D214 | S210-R212 VanDerWaalsContact C-N 3.26Å; S210-R212 PolarHBondContact O-N 2.81Å; R212-D214 PolarHBondContact O-N 2.92Å |
| 213 | R | 41.1 | Very low | 40.1 | Very low | 204 Ų | 204 | 137.2 Ų | 137.2 | 77% | 0.77 | 71% | 0.709 | S | S | * | * | | | trans | 44.5 | 66.5 | 147.1 | -163.8 | -167.6 | -54.4 | -151.6 | 1.3 | 114.1 | H211 T215 | H211-R213 PolarHBondContact O-N 2.9Å; R213-T215 PolarHBondContact O-N 3.09Å |
| 214 | D | 32.8 | Very low | 38.8 | Very low | 131 Ų | 131 | 142 Ų | 142 | 70% | 0.701 | 73% | 0.727 | S | S | * | * | | | trans | -65.2 | 132.1 | 158.8 | -177.2 | 11.7 | 0 | 0 | 0 | 108.4 | R212 G216 | R212-D214 PolarHBondContact O-N 2.92Å; D214-G216 PolarHBondContact OD1-N 3.5Å |
| 215 | T | 40.8 | Very low | 37.6 | Very low | 125 Ų | 125 | 143.9 Ų | 143.9 | 77% | 0.767 | 74% | 0.735 | S | S | * | * | | | trans | -141.9 | 44.8 | 178.3 | -45.3 | 0 | 0 | 0 | 0 | 108.1 | R213 | R213-T215 PolarHBondContact O-N 3.09Š|
| 216 | G | 38.6 | Very low | 37 | Very low | 59 Ų | 59 | 149.7 Ų | 149.7 | 61% | 0.608 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -110.4 | 9.5 | -165.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | D214 | D214-G216 PolarHBondContact OD1-N 3.5Š|
| 217 | A | 42.9 | Very low | 36.3 | Very low | 92 Ų | 92 | 149.9 Ų | 149.9 | 76% | 0.76 | 75% | 0.75 | S | S | * | * | | | trans | 58.4 | 94 | 171.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 218 | E | 29.9 | Very low | 35.8 | Very low | 185 Ų | 185 | 145.5 Ų | 145.5 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | | | trans | -109.3 | 129 | 153.8 | -88.4 | -68 | -174.3 | 0 | 0 | 110.5 | | |
| 219 | R | 34.6 | Very low | 35.7 | Very low | 223 Ų | 223 | 145.4 Ų | 145.4 | 84% | 0.842 | 74% | 0.737 | S | S | * | * | | | trans | -146.3 | 69.7 | -175.1 | -117.9 | -157.3 | -61.1 | 146.9 | -2.2 | 113.9 | | |
| 220 | C | 29.2 | Very low | 36 | Very low | 103 Ų | 103 | 146 Ų | 146 | 70% | 0.696 | 75% | 0.745 | S | S | * | * | | | trans | 67 | 160.8 | 149.3 | -56.5 | 0 | 0 | 0 | 0 | 119.1 | | |
| 221 | H | 33.4 | Very low | 36.6 | Very low | 178 Ų | 178 | 151 Ų | 151 | 82% | 0.824 | 75% | 0.747 | S | S | * | * | | | trans | 75.8 | 152.9 | 171 | -57.2 | -79.4 | 0 | 0 | 0 | 117.1 | | |
| 222 | H | 31.5 | Very low | 36.6 | Very low | 146 Ų | 146 | 151.4 Ų | 151.4 | 68% | 0.676 | 75% | 0.754 | S | S | * | * | | | cis | 176.8 | 134.4 | -23.5 | 174.5 | 23.5 | 0 | 0 | 0 | 105.8 | | |
| 223 | D | 31.8 | Very low | 36.1 | Very low | 126 Ų | 126 | 146.3 Ų | 146.3 | 67% | 0.674 | 76% | 0.755 | S | S | * | * | | | trans | 61.1 | 128.9 | 165.4 | -70.7 | 9.5 | 0 | 0 | 0 | 122 | | |
| 224 | E | 34.4 | Very low | 36.1 | Very low | 160 Ų | 160 | 140.3 Ų | 140.3 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | | | | 42 | 138.4 | 124.9 | -132.6 | -161.1 | 95.1 | 0 | 0 | 123.1 | | |
| 225 | N | 30.2 | Very low | 36.1 | Very low | 101 Ų | 101 | 144.4 Ų | 144.4 | 54% | 0.54 | 75% | 0.751 | S | S | . | * | | | trans | 84 | 125.4 | 138.6 | -130.3 | -13.4 | 0 | 0 | 0 | 120.3 | | |
| 226 | R | 39.3 | Very low | 36.2 | Very low | 213 Ų | 213 | 147.2 Ų | 147.2 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | | | trans | 60.6 | 106.4 | 150.2 | -76.5 | 157.2 | -154.5 | -139.8 | 1.2 | 121.1 | | |
| 227 | S | 34.2 | Very low | 35.9 | Very low | 112 Ų | 112 | 149.6 Ų | 149.6 | 78% | 0.783 | 77% | 0.768 | S | S | * | * | | | | 66.4 | 123.2 | 103.2 | -172.9 | 0 | 0 | 0 | 0 | 121.2 | | |
| 228 | A | 33.5 | Very low | 35.4 | Very low | 83 Ų | 83 | 150.1 Ų | 150.1 | 69% | 0.686 | 77% | 0.766 | S | S | * | * | | | trans | 81.8 | 151 | 147.6 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 229 | D | 37.9 | Very low | 35.6 | Very low | 119 Ų | 119 | 151.4 Ų | 151.4 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | | | trans | 39.9 | 112.8 | 170.1 | -86.4 | -72.8 | 0 | 0 | 0 | 120.1 | | |
| 230 | K | 47.6 | Very low | 35.4 | Very low | 202 Ų | 202 | 144.4 Ų | 144.4 | 88% | 0.878 | 77% | 0.766 | S | S | * | * | | | | -144.6 | 138.3 | 86.2 | -76 | 111.9 | -159.1 | 120.1 | 0 | 112.2 | | |
| 231 | R | 44.6 | Very low | 36 | Very low | 211 Ų | 211 | 149.3 Ų | 149.3 | 80% | 0.796 | 78% | 0.779 | S | S | * | * | | | trans | -86.3 | 176.8 | 159.4 | -66.9 | 169.9 | 64 | -162.5 | -0.3 | 109.6 | | |
| 232 | L | 38 | Very low | 35.9 | Very low | 170 Ų | 170 | 146.8 Ų | 146.8 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | | | trans | 78.2 | 94.4 | 171.3 | -47.8 | 172 | 0 | 0 | 0 | 116.1 | | |
| 233 | S | 32.4 | Very low | 36.3 | Very low | 129 Ų | 129 | 145.1 Ų | 145.1 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | | | | -161.2 | 111.6 | 115.2 | -167.5 | 0 | 0 | 0 | 0 | 111 | | |
| 234 | S | 39.5 | Very low | 36.5 | Very low | 79 Ų | 79 | 147.4 Ų | 147.4 | 55% | 0.552 | 79% | 0.793 | S | S | * | * | | | trans | -143.1 | 156.6 | 166.6 | 56.8 | 0 | 0 | 0 | 0 | 107.2 | | |
| 235 | Y | 33.8 | Very low | 36.9 | Very low | 216 Ų | 216 | 145.2 Ų | 145.2 | 85% | 0.847 | 79% | 0.792 | S | S | * | * | | | trans | 72.4 | 83 | 178.3 | -33.4 | -63.5 | 0 | 0 | 0 | 115.9 | | |
| 236 | L | 42 | Very low | 37.3 | Very low | 185 Ų | 185 | 146.2 Ų | 146.2 | 97% | 0.969 | 80% | 0.804 | S | S | * | * | | | trans | -121.1 | 147.9 | 130.7 | -76.5 | 179.8 | 0 | 0 | 0 | 108.2 | | |
| 237 | S | 33.2 | Very low | 37.2 | Very low | 109 Ų | 109 | 140.1 Ų | 140.1 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | | | trans | -108.1 | 156.2 | -160 | -169.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 238 | S | 32.9 | Very low | 37.7 | Very low | 103 Ų | 103 | 139 Ų | 139 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | | | trans | -5.1 | 143.7 | 161 | 62.6 | 0 | 0 | 0 | 0 | 119.5 | | |
| 239 | K | 33.3 | Very low | 38.5 | Very low | 212 Ų | 212 | 143.9 Ų | 143.9 | 92% | 0.922 | 81% | 0.805 | S | S | * | * | | | | 168.4 | 128.1 | 96.8 | -174.7 | 169.4 | -174.6 | 175.8 | 0 | 111.1 | | |
| 240 | G | 31.1 | Very low | 39.1 | Very low | 76 Ų | 76 | 141 Ų | 141 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | | | trans | 174.3 | 99.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 241 | Q | 41.1 | Very low | 38.8 | Very low | 205 Ų | 205 | 139.3 Ų | 139.3 | 96% | 0.958 | 80% | 0.799 | S | S | * | * | | | trans | -85.2 | 127.8 | 167.2 | -73 | 175 | -17.5 | 0 | 0 | 108.6 | | |
| 242 | S | 31.1 | Very low | 39.2 | Very low | 125 Ų | 125 | 137.1 Ų | 137.1 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | | | trans | -146.7 | 146.2 | 156.1 | -167.2 | 0 | 0 | 0 | 0 | 108.4 | | |
| 243 | S | 41.1 | Very low | 40.2 | Very low | 112 Ų | 112 | 137.8 Ų | 137.8 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | | | trans | -100 | 98.9 | -168.3 | 54.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 244 | E | 35.1 | Very low | 41.6 | Very low | 173 Ų | 173 | 137.4 Ų | 137.4 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | | | trans | -159.5 | 134.5 | 150.4 | -151.3 | 161.7 | 89.7 | 0 | 0 | 110.2 | P246 | E244-P246 WeakPolarHBondContact O-CD 3.38Š|
| 245 | P | 42.5 | Very low | 43 | Very low | 115 Ų | 115 | 135.9 Ų | 135.9 | 75% | 0.747 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 117.8 | 164.5 | 30.3 | -29.2 | 0 | 0 | 0 | 108.3 | A247 | P245-A247 PolarHBondContact O-N 3.39Š|
| 246 | P | 38.1 | Very low | 45 | Very low | 121 Ų | 121 | 129.4 Ų | 129.4 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -61 | 127.6 | 174.6 | 26.1 | -33.2 | 0 | 0 | 0 | 108.9 | E244 A248 | E244-P246 WeakPolarHBondContact O-CD 3.38Å; P246-A248 PolarHBondContact O-N 3.47Å |
| 247 | A | 37.4 | Very low | 47 | Very low | 86 Ų | 86 | 126.4 Ų | 126.4 | 71% | 0.711 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 134.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | P245 E249 | P245-A247 PolarHBondContact O-N 3.39Å; A247-E249 HydrophobicContact CB-CB 4.46Å; A247-E249 PolarHBondContact O-N 2.87Å |
| 248 | A | 46.3 | Very low | 49.4 | Very low | 87 Ų | 87 | 127 Ų | 127 | 72% | 0.719 | 73% | 0.728 | S | S | * | * | | | trans | -75.9 | 38.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | P246 | P246-A248 PolarHBondContact O-N 3.47Š|
| 249 | E | 50 | Low | 51.9 | Low | 186 Ų | 186 | 124.2 Ų | 124.2 | 87% | 0.869 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | 123.5 | 177.6 | -170.3 | 168.3 | -136.9 | 0 | 0 | 109.1 | A247 | A247-E249 HydrophobicContact CB-CB 4.46Å; A247-E249 PolarHBondContact O-N 2.87Å |
| 250 | G | 50.4 | Low | 54.6 | Low | 58 Ų | 58 | 120 Ų | 120 | 60% | 0.598 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 103.9 | 6.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | H252 | G250-H252 PolarHBondContact O-N 2.99Š|
| 251 | Q | 39.8 | Very low | 57.5 | Low | 167 Ų | 167 | 122.3 Ų | 122.3 | 78% | 0.78 | 68% | 0.676 | S | S | * | * | | | trans | -67.7 | 87.7 | 158.8 | -69.9 | -65.8 | -2.6 | 0 | 0 | 109.2 | Y253 | Q251-Y253 PolarHBondContact O-N 2.83Š|
| 252 | H | 54.8 | Low | 59.9 | Low | 165 Ų | 165 | 121.1 Ų | 121.1 | 76% | 0.764 | 66% | 0.663 | S | S | * | * | | | trans | -60.1 | 107.6 | 173.6 | -82.7 | -84.1 | 0 | 0 | 0 | 109.2 | G250 C254 | G250-H252 PolarHBondContact O-N 2.99Å; H252-C254 PolarHBondContact O-N 3.28Å |
| 253 | Y | 58.9 | Low | 62.6 | Low | 185 Ų | 185 | 118 Ų | 118 | 73% | 0.725 | 64% | 0.636 | S | S | * | * | | | trans | -72.5 | 73.4 | 179.6 | -170.3 | -109.9 | 0 | 0 | 0 | 110 | Q251 V255 | Q251-Y253 PolarHBondContact O-N 2.83Å; Y253-V255 HydrophobicContact CD1-CB 3.93Å; Y253-V255 HydrophobicContact CD1-CG2 3.93Å; Y253-V255 HydrophobicContact CD2-CG2 4.38Å; Y253-V255 HydrophobicContact CE1-CB 3.68Å; Y253-V255 HydrophobicContact CE1-CG1 4.33Å; Y253-V255 HydrophobicContact CE1-CG2 3.38Å; Y253-V255 HydrophobicContact CE2-CG2 3.87Å; Y253-V255 HydrophobicContact CG-CG2 4.41Å; Y253-V255 PolarHBondContact O-N 2.8Å |
| 254 | C | 60.2 | Low | 65 | Low | 121 Ų | 121 | 117.6 Ų | 117.6 | 82% | 0.818 | 62% | 0.622 | S | S | * | * | | | trans | -73.6 | 61.1 | 174.2 | -64.5 | 0 | 0 | 0 | 0 | 110.4 | H252 | H252-C254 PolarHBondContact O-N 3.28Š|
| 255 | V | 69.3 | Low | 67.7 | Low | 46 Ų | 46 | 116.2 Ų | 116.2 | 28% | 0.279 | 61% | 0.61 | S | S | . | * | | | trans | -71.1 | 138.2 | 164 | 145.6 | 0 | 0 | 0 | 0 | 108.5 | Y253 T259 E260 | Y253-V255 HydrophobicContact CD1-CB 3.93Å; Y253-V255 HydrophobicContact CD1-CG2 3.93Å; Y253-V255 HydrophobicContact CD2-CG2 4.38Å; Y253-V255 HydrophobicContact CE1-CB 3.68Å; Y253-V255 HydrophobicContact CE1-CG1 4.33Å; Y253-V255 HydrophobicContact CE1-CG2 3.38Å; Y253-V255 HydrophobicContact CE2-CG2 3.87Å; Y253-V255 HydrophobicContact CG-CG2 4.41Å; Y253-V255 PolarHBondContact O-N 2.8Å; V255-T259 HydrophobicContact CG1-CG2 3.85Å; V255-T259 HydrophobicContact CG2-CG2 4.25Å; V255-E260 HydrophobicContact CG1-CB 3.93Å |
| 256 | D | 77.4 | Confident | 70 | Confident | 81 Ų | 81 | 114.6 Ų | 114.6 | 43% | 0.433 | 60% | 0.595 | S | S | . | * | | | trans | -69.7 | 149.2 | 175.9 | 63.2 | 100.1 | 0 | 0 | 0 | 111 | N258 T259 E260 | D256-N258 PolarHBondContact O-N 3.12Å; D256-N258 VanDerWaalsContact O-N 3.07Å; D256-N258 WeakPolarHBondContact OD1-CB 3.34Å; D256-N258 PolarHBondContact OD1-N 2.91Å; D256-T259 VanDerWaalsContact CG-OG1 3.29Å; D256-T259 PolarHBondContact O-N 2.95Å; D256-T259 PolarHBondContact OD1-N 2.98Å; D256-T259 PolarHBondContact OD1-OG1 3.31Å; D256-T259 WeakPolarHBondContact OD2-CB 3.35Å; D256-T259 PolarHBondContact OD2-OG1 2.81Å; D256-E260 PolarHBondContact O-N 3.36Å |
| 257 | E | 83.1 | Confident | 72.2 | Confident | 121 Ų | 121 | 114.9 Ų | 114.9 | 57% | 0.565 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -55.8 | -32 | -177 | -161.9 | -157.4 | 123.2 | 0 | 0 | 112.1 | E260 R261 | E257-E260 PolarHBondContact O-N 3.18Å; E257-R261 HydrophobicContact CG-CG 4.49Å; E257-R261 VanDerWaalsContact O-CB 3.31Å; E257-R261 WeakPolarHBondContact O-CB 3.24Å; E257-R261 VanDerWaalsContact O-CD 3.22Å; E257-R261 WeakPolarHBondContact O-CD 3.36Å; E257-R261 WeakPolarHBondContact O-CG 3.4Å; E257-R261 PolarHBondContact O-N 3.45Å; E257-R261 WeakPolarHBondContact OE1-CD 3.28Å; E257-R261 IonicContact OE1-CZ 3.38Å; E257-R261 IonicContact OE1-NE 3.11Å; E257-R261 IonicContact OE1-NH1 3.65Å; E257-R261 PolarHBondContact OE1-NH1 3.28Å |
| 258 | N | 82.4 | Confident | 74.7 | Confident | 122 Ų | 122 | 116.4 Ų | 116.4 | 65% | 0.652 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -70.3 | -41.3 | 178.3 | 176.4 | 48.9 | 0 | 0 | 0 | 112 | D256 R262 | D256-N258 PolarHBondContact O-N 3.12Å; D256-N258 VanDerWaalsContact O-N 3.07Å; D256-N258 WeakPolarHBondContact OD1-CB 3.34Å; D256-N258 PolarHBondContact OD1-N 2.91Å; N258-R262 VanDerWaalsContact O-CB 3.31Å; N258-R262 WeakPolarHBondContact O-CB 3.44Å; N258-R262 PolarHBondContact O-N 3.16Å |
| 259 | T | 86.3 | Confident | 76.6 | Confident | 44 Ų | 44 | 115.1 Ų | 115.1 | 27% | 0.27 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -68.5 | -37.1 | 170.8 | -63.8 | 0 | 0 | 0 | 0 | 112.3 | V255 D256 R262 N263 | V255-T259 HydrophobicContact CG1-CG2 3.85Å; V255-T259 HydrophobicContact CG2-CG2 4.25Å; D256-T259 VanDerWaalsContact CG-OG1 3.29Å; D256-T259 PolarHBondContact O-N 2.95Å; D256-T259 PolarHBondContact OD1-N 2.98Å; D256-T259 PolarHBondContact OD1-OG1 3.31Å; D256-T259 WeakPolarHBondContact OD2-CB 3.35Å; D256-T259 PolarHBondContact OD2-OG1 2.81Å; T259-R262 WeakPolarHBondContact O-CB 3.15Å; T259-R262 PolarHBondContact O-N 3.33Å; T259-N263 VanDerWaalsContact O-CG 3.24Å; T259-N263 PolarHBondContact O-N 3.03Å; T259-N263 PolarHBondContact O-ND2 3.49Å |
| 260 | E | 90.8 | Very high | 78 | Confident | 125 Ų | 125 | 109 Ų | 109 | 58% | 0.584 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61.1 | -48.5 | 172.7 | -174.8 | 173.3 | -147 | 0 | 0 | 111 | V255 D256 E257 R262 N263 H264 | V255-E260 HydrophobicContact CG1-CB 3.93Å; D256-E260 PolarHBondContact O-N 3.36Å; E257-E260 PolarHBondContact O-N 3.18Å; E260-R262 VanDerWaalsContact C-N 3.31Å; E260-R262 PolarHBondContact O-N 2.66Å; E260-N263 PolarHBondContact O-N 2.84Å; E260-H264 WeakPolarHBondContact O-CB 3.24Å; E260-H264 PolarHBondContact O-N 3.39Å |
| 261 | R | 92.3 | Very high | 78.9 | Confident | 124 Ų | 124 | 111.3 Ų | 111.3 | 47% | 0.468 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.5 | -39.8 | 174.9 | -69.1 | 162.7 | 83.3 | 110.5 | 12 | 111.8 | E257 H264 Y265 | E257-R261 HydrophobicContact CG-CG 4.49Å; E257-R261 VanDerWaalsContact O-CB 3.31Å; E257-R261 WeakPolarHBondContact O-CB 3.24Å; E257-R261 VanDerWaalsContact O-CD 3.22Å; E257-R261 WeakPolarHBondContact O-CD 3.36Å; E257-R261 WeakPolarHBondContact O-CG 3.4Å; E257-R261 PolarHBondContact O-N 3.45Å; E257-R261 WeakPolarHBondContact OE1-CD 3.28Å; E257-R261 IonicContact OE1-CZ 3.38Å; E257-R261 IonicContact OE1-NE 3.11Å; E257-R261 IonicContact OE1-NH1 3.65Å; E257-R261 PolarHBondContact OE1-NH1 3.28Å; R261-H264 PolarHBondContact O-N 2.93Å; R261-Y265 HydrophobicContact CB-CE2 4.38Å; R261-Y265 WeakPolarHBondContact O-CD2 3.29Å; R261-Y265 PolarHBondContact O-N 2.97Å |
| 262 | R | 90.7 | Very high | 80.6 | Confident | 180 Ų | 180 | 109.4 Ų | 109.4 | 68% | 0.679 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -61.7 | -43.7 | 175.7 | -172.6 | -177.3 | -174.1 | -170.2 | 2.1 | 111.9 | N258 T259 E260 L266 | N258-R262 VanDerWaalsContact O-CB 3.31Å; N258-R262 WeakPolarHBondContact O-CB 3.44Å; N258-R262 PolarHBondContact O-N 3.16Å; T259-R262 WeakPolarHBondContact O-CB 3.15Å; T259-R262 PolarHBondContact O-N 3.33Å; E260-R262 VanDerWaalsContact C-N 3.31Å; E260-R262 PolarHBondContact O-N 2.66Å; R262-L266 PolarHBondContact O-N 3.15Å; R262-L266 VanDerWaalsContact O-N 3.09Å |
| 263 | N | 87.7 | Confident | 81 | Confident | 58 Ų | 58 | 107.4 Ų | 107.4 | 31% | 0.31 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.6 | -45.1 | 176.6 | -67.3 | -20.8 | 0 | 0 | 0 | 110.8 | T259 E260 Y265 L266 D267 | T259-N263 VanDerWaalsContact O-CG 3.24Å; T259-N263 PolarHBondContact O-N 3.03Å; T259-N263 PolarHBondContact O-ND2 3.49Å; E260-N263 PolarHBondContact O-N 2.84Å; N263-Y265 VanDerWaalsContact C-N 3.32Å; N263-Y265 PolarHBondContact O-N 3.37Å; N263-L266 WeakPolarHBondContact O-CA 3.31Å; N263-L266 WeakPolarHBondContact O-CB 3.27Å; N263-L266 PolarHBondContact O-N 2.95Å; N263-D267 PolarHBondContact O-N 3.43Å |
| 264 | H | 92.4 | Very high | 80.7 | Confident | 105 Ų | 105 | 107.5 Ų | 107.5 | 49% | 0.486 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -56.9 | -41.7 | 175.9 | 179.4 | 57.2 | 0 | 0 | 0 | 113 | E260 R261 L266 D267 L268 | E260-H264 WeakPolarHBondContact O-CB 3.24Å; E260-H264 PolarHBondContact O-N 3.39Å; R261-H264 PolarHBondContact O-N 2.93Å; H264-L266 VanDerWaalsContact C-N 3.33Å; H264-D267 PolarHBondContact O-N 2.98Å; H264-L268 WeakPolarHBondContact NE2-CD1 3.41Å; H264-L268 WeakPolarHBondContact O-CB 3.38Å; H264-L268 WeakPolarHBondContact O-CG 3.04Å; H264-L268 PolarHBondContact O-N 3.47Å |
| 265 | Y | 91.3 | Very high | 80.3 | Confident | 143 Ų | 143 | 106.6 Ų | 106.6 | 56% | 0.561 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -70.4 | -26.8 | 173.3 | -67.8 | -51.9 | 0 | 0 | 0 | 113.4 | R261 N263 L268 A269 | R261-Y265 HydrophobicContact CB-CE2 4.38Å; R261-Y265 WeakPolarHBondContact O-CD2 3.29Å; R261-Y265 PolarHBondContact O-N 2.97Å; N263-Y265 VanDerWaalsContact C-N 3.32Å; N263-Y265 PolarHBondContact O-N 3.37Å; Y265-L268 HydrophobicContact CD1-CD1 4.15Å; Y265-A269 VanDerWaalsContact O-CB 3.29Å; Y265-A269 WeakPolarHBondContact O-CB 3.3Å; Y265-A269 PolarHBondContact O-N 3.42Å; Y265-A269 VanDerWaalsContact O-N 3.07Å |
| 266 | L | 89.7 | Confident | 79.3 | Confident | 82 Ų | 82 | 108.7 Ų | 108.7 | 43% | 0.429 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.6 | -44.7 | 172.7 | -142.2 | 79.8 | 0 | 0 | 0 | 111 | R262 N263 H264 A269 G270 I271 | R262-L266 PolarHBondContact O-N 3.15Å; R262-L266 VanDerWaalsContact O-N 3.09Å; N263-L266 WeakPolarHBondContact O-CA 3.31Å; N263-L266 WeakPolarHBondContact O-CB 3.27Å; N263-L266 PolarHBondContact O-N 2.95Å; H264-L266 VanDerWaalsContact C-N 3.33Å; L266-A269 PolarHBondContact O-N 3.3Å; L266-G270 PolarHBondContact O-N 2.7Å; L266-I271 HydrophobicContact CD1-CD1 4.36Å |
| 267 | D | 85.8 | Confident | 77.9 | Confident | 127 Ų | 127 | 116.1 Ų | 116.1 | 68% | 0.679 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65.7 | -45.3 | 177.2 | -63.1 | -32.2 | 0 | 0 | 0 | 111.3 | N263 H264 A269 G270 | N263-D267 PolarHBondContact O-N 3.43Å; H264-D267 PolarHBondContact O-N 2.98Å; D267-A269 VanDerWaalsContact C-N 3.26Å; D267-A269 PolarHBondContact O-N 3.4Å; D267-G270 PolarHBondContact O-N 2.98Å |
| 268 | L | 89.8 | Confident | 75.8 | Confident | 118 Ų | 118 | 119.6 Ų | 119.6 | 62% | 0.618 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -61.9 | -31.1 | 175 | -77.4 | 176.7 | 0 | 0 | 0 | 113.3 | H264 Y265 G270 | H264-L268 WeakPolarHBondContact NE2-CD1 3.41Å; H264-L268 WeakPolarHBondContact O-CB 3.38Å; H264-L268 WeakPolarHBondContact O-CG 3.04Å; H264-L268 PolarHBondContact O-N 3.47Å; Y265-L268 HydrophobicContact CD1-CD1 4.15Å; L268-G270 PolarHBondContact O-N 3.27Å |
| 269 | A | 84.6 | Confident | 74 | Confident | 60 Ų | 60 | 122.9 Ų | 122.9 | 50% | 0.496 | 60% | 0.599 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.1 | -13.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y265 L266 D267 I271 | Y265-A269 VanDerWaalsContact O-CB 3.29Å; Y265-A269 WeakPolarHBondContact O-CB 3.3Å; Y265-A269 PolarHBondContact O-N 3.42Å; Y265-A269 VanDerWaalsContact O-N 3.07Å; L266-A269 PolarHBondContact O-N 3.3Å; D267-A269 VanDerWaalsContact C-N 3.26Å; D267-A269 PolarHBondContact O-N 3.4Å; A269-I271 HydrophobicContact CB-CD1 4.46Å; A269-I271 HydrophobicContact CB-CG1 3.99Å; A269-I271 PolarHBondContact O-N 2.99Å; A269-I271 VanDerWaalsContact O-N 3.09Å |
| 270 | G | 80.4 | Confident | 71.6 | Confident | 56 Ų | 56 | 123.9 Ų | 123.9 | 58% | 0.577 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 63.7 | 13.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | L266 D267 L268 E272 | L266-G270 PolarHBondContact O-N 2.7Å; D267-G270 PolarHBondContact O-N 2.98Å; L268-G270 PolarHBondContact O-N 3.27Å; G270-E272 PolarHBondContact O-N 3.26Å |
| 271 | I | 69.4 | Low | 69.2 | Low | 108 Ų | 108 | 124.5 Ų | 124.5 | 55% | 0.554 | 63% | 0.63 | S | S | * | * | | | trans | -81.7 | 64.7 | -177.1 | 53.3 | 167.8 | 0 | 0 | 0 | 111.5 | L266 A269 N273 | L266-I271 HydrophobicContact CD1-CD1 4.36Å; A269-I271 HydrophobicContact CB-CD1 4.46Å; A269-I271 HydrophobicContact CB-CG1 3.99Å; A269-I271 PolarHBondContact O-N 2.99Å; A269-I271 VanDerWaalsContact O-N 3.09Å; I271-N273 PolarHBondContact O-N 3.28Å |
| 272 | E | 75.2 | Confident | 66.6 | Low | 127 Ų | 127 | 125.9 Ų | 125.9 | 59% | 0.593 | 65% | 0.647 | S | S | * | * | | | trans | -51.8 | 130.8 | 166.4 | 43.4 | 172.7 | -168 | 0 | 0 | 110.1 | G270 Y274 | G270-E272 PolarHBondContact O-N 3.26Å; E272-Y274 VanDerWaalsContact C-N 3.32Å; E272-Y274 VanDerWaalsContact CD-CE2 3.49Å; E272-Y274 VanDerWaalsContact CD-OH 3.27Å; E272-Y274 HydrophobicContact CG-CD2 4.15Å; E272-Y274 HydrophobicContact CG-CE2 3.54Å; E272-Y274 WeakPolarHBondContact O-CD2 3.42Å; E272-Y274 PolarHBondContact O-N 3.42Å; E272-Y274 WeakPolarHBondContact OE1-CE2 3.35Å; E272-Y274 VanDerWaalsContact OE1-CZ 3.23Å; E272-Y274 PolarHBondContact OE1-OH 2.86Å |
| 273 | N | 63.2 | Low | 64.4 | Low | 123 Ų | 123 | 123 Ų | 123 | 66% | 0.658 | 65% | 0.652 | S | S | * | * | | | trans | -77.3 | 77.8 | -163 | -104.9 | -94.8 | 0 | 0 | 0 | 112.3 | I271 T275 | I271-N273 PolarHBondContact O-N 3.28Å; N273-T275 PolarHBondContact O-N 3.12Å |
| 274 | Y | 52.8 | Low | 61.8 | Low | 187 Ų | 187 | 127.6 Ų | 127.6 | 73% | 0.733 | 68% | 0.677 | S | S | * | * | | | trans | -70.7 | 62.9 | 168.2 | -68.9 | -69.9 | 0 | 0 | 0 | 111.8 | E272 S276 | E272-Y274 VanDerWaalsContact C-N 3.32Å; E272-Y274 VanDerWaalsContact CD-CE2 3.49Å; E272-Y274 VanDerWaalsContact CD-OH 3.27Å; E272-Y274 HydrophobicContact CG-CD2 4.15Å; E272-Y274 HydrophobicContact CG-CE2 3.54Å; E272-Y274 WeakPolarHBondContact O-CD2 3.42Å; E272-Y274 PolarHBondContact O-N 3.42Å; E272-Y274 WeakPolarHBondContact OE1-CE2 3.35Å; E272-Y274 VanDerWaalsContact OE1-CZ 3.23Å; E272-Y274 PolarHBondContact OE1-OH 2.86Å; Y274-S276 PolarHBondContact O-N 2.9Å |
| 275 | T | 51.8 | Low | 58.8 | Low | 102 Ų | 102 | 128.6 Ų | 128.6 | 63% | 0.626 | 69% | 0.694 | S | S | * | * | | | trans | -73.4 | 67.8 | 169.9 | 51.5 | 0 | 0 | 0 | 0 | 110.5 | N273 R277 | N273-T275 PolarHBondContact O-N 3.12Å; T275-R277 PolarHBondContact O-N 3.3Å; T275-R277 VanDerWaalsContact O-N 3.17Å |
| 276 | S | 47.7 | Very low | 56.3 | Low | 89 Ų | 89 | 127.5 Ų | 127.5 | 62% | 0.622 | 70% | 0.704 | S | S | * | * | | | trans | 28.5 | 74.1 | 160.6 | -179.9 | 0 | 0 | 0 | 0 | 115.4 | Y274 F278 | Y274-S276 PolarHBondContact O-N 2.9Å; S276-F278 PolarHBondContact O-N 3.33Å |
| 277 | R | 48.4 | Very low | 54.1 | Low | 237 Ų | 237 | 128.6 Ų | 128.6 | 89% | 0.894 | 73% | 0.725 | S | S | * | * | | | trans | -70.7 | 73.8 | 164.4 | -67.5 | -69.7 | -175.8 | 156.4 | 1.9 | 109.4 | T275 E279 | T275-R277 PolarHBondContact O-N 3.3Å; T275-R277 VanDerWaalsContact O-N 3.17Å; R277-E279 PolarHBondContact O-N 3.05Å |
| 278 | F | 40.2 | Very low | 51.7 | Low | 194 Ų | 194 | 132 Ų | 132 | 85% | 0.851 | 74% | 0.737 | S | S | * | * | | | trans | -70.5 | 117.5 | 172.2 | -124.7 | -77.7 | 0 | 0 | 0 | 108.6 | S276 G280 | S276-F278 PolarHBondContact O-N 3.33Å; F278-G280 PolarHBondContact O-N 2.87Å |
| 279 | E | 43.3 | Very low | 49.1 | Very low | 192 Ų | 192 | 134.7 Ų | 134.7 | 90% | 0.897 | 75% | 0.746 | S | S | * | * | | | trans | -81.3 | 88.2 | -166.7 | -166.3 | 164.9 | -161.4 | 0 | 0 | 111.1 | R277 | R277-E279 PolarHBondContact O-N 3.05Š|
| 280 | G | 37 | Very low | 46.8 | Very low | 64 Ų | 64 | 137.4 Ų | 137.4 | 66% | 0.66 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 126 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | F278 | F278-G280 PolarHBondContact O-N 2.87Š|
| 281 | T | 40 | Very low | 44.5 | Very low | 138 Ų | 138 | 144 Ų | 144 | 85% | 0.847 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 134.8 | -175.3 | 47.9 | 0 | 0 | 0 | 0 | 113.8 | | |
| 282 | N | 37 | Very low | 42.9 | Very low | 153 Ų | 153 | 144.2 Ų | 144.2 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 167.8 | 172.5 | -51.9 | -72.7 | 0 | 0 | 0 | 112.4 | | |
| 283 | P | 43.8 | Very low | 41 | Very low | 121 Ų | 121 | 149.3 Ų | 149.3 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | | | | -140.2 | 179.5 | 89.2 | 39.8 | -26.2 | 0 | 0 | 0 | 115.5 | | |
| 284 | D | 34.8 | Very low | 39.5 | Very low | 154 Ų | 154 | 148.3 Ų | 148.3 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | | | trans | -61.7 | 147.9 | -169.5 | -55.6 | -104.3 | 0 | 0 | 0 | 118.1 | | |
| 285 | C | 28.1 | Very low | 38.5 | Very low | 125 Ų | 125 | 143.8 Ų | 143.8 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | | | trans | -159.1 | 160.9 | 131.3 | -104.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 286 | P | 39.8 | Very low | 38 | Very low | 120 Ų | 120 | 146.9 Ų | 146.9 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | | | trans | -91.6 | 176.6 | -154.2 | 36.2 | -38.7 | 0 | 0 | 0 | 116 | | |
| 287 | A | 42.7 | Very low | 37.3 | Very low | 105 Ų | 105 | 148.3 Ų | 148.3 | 87% | 0.868 | 81% | 0.808 | S | S | * | * | | | trans | -59 | 145.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 288 | Q | 35.1 | Very low | 37.1 | Very low | 198 Ų | 198 | 145 Ų | 145 | 93% | 0.925 | 80% | 0.803 | S | S | * | * | | | trans | -133.6 | 133.7 | 160.1 | -166.5 | 169.7 | 21.3 | 0 | 0 | 109.8 | | |
| 289 | E | 35.8 | Very low | 36.7 | Very low | 175 Ų | 175 | 141.4 Ų | 141.4 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | -95.5 | 154.4 | -175.1 | -158.9 | -178 | 158 | 0 | 0 | 111.1 | | |
| 290 | T | 37.3 | Very low | 36.5 | Very low | 118 Ų | 118 | 143 Ų | 143 | 72% | 0.724 | 80% | 0.8 | S | S | * | * | | | trans | 68 | 105 | 167.3 | -41.1 | 0 | 0 | 0 | 0 | 117.9 | | |
| 291 | Q | 32 | Very low | 36.4 | Very low | 195 Ų | 195 | 145.7 Ų | 145.7 | 91% | 0.911 | 81% | 0.809 | S | S | * | * | | | | -146.2 | 146.4 | 128.7 | -163.4 | 156.5 | -34.3 | 0 | 0 | 112.2 | | |
| 292 | V | 35 | Very low | 36.4 | Very low | 111 Ų | 111 | 150 Ų | 150 | 67% | 0.673 | 81% | 0.809 | S | S | * | * | | | trans | -106.1 | 152.6 | -174.5 | 162.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 293 | R | 36 | Very low | 36.3 | Very low | 234 Ų | 234 | 148.5 Ų | 148.5 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | | | trans | 79.5 | 116.3 | 165.6 | -86.8 | 169.8 | -175.9 | -167 | 1.5 | 119.8 | | |
| 294 | S | 32 | Very low | 35.8 | Very low | 102 Ų | 102 | 150.4 Ų | 150.4 | 71% | 0.713 | 81% | 0.809 | S | S | * | * | | | | 98.9 | 145.6 | 114 | -166.6 | 0 | 0 | 0 | 0 | 120.6 | | |
| 295 | S | 30.1 | Very low | 35.8 | Very low | 92 Ų | 92 | 151.1 Ų | 151.1 | 64% | 0.643 | 81% | 0.807 | S | S | * | * | | | trans | 71.8 | 103.7 | 151.3 | 25 | 0 | 0 | 0 | 0 | 119.9 | | |
| 296 | Q | 43 | Very low | 36.4 | Very low | 168 Ų | 168 | 150.1 Ų | 150.1 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | | | | 58.9 | 107.5 | 115 | -173.7 | 178.7 | -7.1 | 0 | 0 | 118.7 | | |
| 297 | S | 32.3 | Very low | 36.2 | Very low | 119 Ų | 119 | 153.7 Ų | 153.7 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | | | trans | -128 | 111.6 | 162.1 | -62.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 298 | Q | 43.1 | Very low | 35.7 | Very low | 167 Ų | 167 | 152.9 Ų | 152.9 | 78% | 0.78 | 80% | 0.798 | S | S | * | * | | | trans | -80.1 | 143.4 | 162.1 | -68.5 | 177.8 | -14.1 | 0 | 0 | 109 | | |
| 299 | S | 32.9 | Very low | 35.6 | Very low | 119 Ų | 119 | 151.9 Ų | 151.9 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | | | trans | -132.1 | 83.6 | 167.7 | -69.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 300 | R | 38.6 | Very low | 35.5 | Very low | 225 Ų | 225 | 149.7 Ų | 149.7 | 85% | 0.849 | 79% | 0.792 | S | S | * | * | | | trans | -76.9 | 128.4 | 158.2 | -97.9 | 179.6 | 162.7 | -177.3 | -2.9 | 108.1 | | |
| 301 | S | 35.8 | Very low | 35.2 | Very low | 121 Ų | 121 | 149.3 Ų | 149.3 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | | | trans | -117 | 135.6 | 162.4 | -67.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 302 | R | 39.1 | Very low | 35.3 | Very low | 229 Ų | 229 | 147.4 Ų | 147.4 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | | | trans | -125.9 | 124.8 | 178.6 | -97.5 | 180 | 161.5 | -179.9 | -8.1 | 109.1 | | |
| 303 | S | 34.9 | Very low | 35.3 | Very low | 120 Ų | 120 | 149.6 Ų | 149.6 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | | | trans | -169.7 | 146.8 | 165.8 | 44.3 | 0 | 0 | 0 | 0 | 107.7 | | |
| 304 | H | 32.6 | Very low | 35.2 | Very low | 162 Ų | 162 | 149.6 Ų | 149.6 | 75% | 0.75 | 78% | 0.783 | S | S | * | * | | | cis | -156.6 | 124 | -12.3 | 167.8 | -64.2 | 0 | 0 | 0 | 107.2 | | |
| 305 | E | 36.4 | Very low | 35.3 | Very low | 169 Ų | 169 | 155.7 Ų | 155.7 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | | | trans | -84.5 | 136.9 | 177.8 | -101.5 | -74.1 | 94 | 0 | 0 | 111.6 | | |
| 306 | P | 39.4 | Very low | 35.6 | Very low | 103 Ų | 103 | 156.7 Ų | 156.7 | 67% | 0.669 | 80% | 0.797 | S | S | * | * | | | trans | -110.9 | 102.4 | 172.8 | 35.7 | -24.3 | 0 | 0 | 0 | 112.8 | | |
| 307 | E | 36.5 | Very low | 35.3 | Very low | 195 Ų | 195 | 157 Ų | 157 | 91% | 0.911 | 80% | 0.799 | S | S | * | * | | | trans | -99.3 | 110.9 | 175.5 | -171.8 | -169.1 | 144.8 | 0 | 0 | 112.3 | | |
| 308 | A | 32.4 | Very low | 35.4 | Very low | 88 Ų | 88 | 156.9 Ų | 156.9 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | | | trans | -177.8 | 152.6 | 158.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 309 | Q | 32.5 | Very low | 35.3 | Very low | 178 Ų | 178 | 156.2 Ų | 156.2 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | | | cis | -162.5 | 133.8 | -21.5 | -110.9 | -172.4 | -7.9 | 0 | 0 | 108.2 | | |
| 310 | V | 32.6 | Very low | 35.3 | Very low | 128 Ų | 128 | 152.6 Ų | 152.6 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | | | trans | 49.5 | 152.3 | 148.8 | -155.2 | 0 | 0 | 0 | 0 | 121.2 | | |
| 311 | V | 31 | Very low | 35 | Very low | 111 Ų | 111 | 150.3 Ų | 150.3 | 67% | 0.673 | 77% | 0.773 | S | S | * | * | | | trans | 116.8 | 100.2 | 148.8 | -172.8 | 0 | 0 | 0 | 0 | 118.1 | | |
| 312 | H | 35.8 | Very low | 34.8 | Very low | 154 Ų | 154 | 149.9 Ų | 149.9 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | | | trans | 88.1 | 118.9 | 140.6 | -72.4 | -13 | 0 | 0 | 0 | 125.6 | | |
| 313 | H | 33.9 | Very low | 34.3 | Very low | 158 Ų | 158 | 148.7 Ų | 148.7 | 73% | 0.731 | 77% | 0.767 | S | S | * | * | | | trans | 66.2 | 102.2 | 133.1 | -65.8 | 116.1 | 0 | 0 | 0 | 122.2 | | |
| 314 | R | 35.1 | Very low | 34.3 | Very low | 233 Ų | 233 | 148.7 Ų | 148.7 | 88% | 0.879 | 76% | 0.757 | S | S | * | * | | | | -167.7 | 115.2 | 96.9 | -105.9 | -177.3 | -179.4 | -131.5 | 1 | 115.8 | | |
| 315 | R | 33.7 | Very low | 35.4 | Very low | 231 Ų | 231 | 145.8 Ų | 145.8 | 87% | 0.872 | 75% | 0.753 | S | S | * | * | | | trans | 32.6 | 104.4 | 132.8 | -169.4 | -170.6 | -165.4 | -169.3 | 6.4 | 119 | | |
| 316 | S | 35.1 | Very low | 35.1 | Very low | 112 Ų | 112 | 142.6 Ų | 142.6 | 78% | 0.783 | 76% | 0.756 | S | S | * | * | | | | -161.2 | 142.5 | 97.9 | -155.4 | 0 | 0 | 0 | 0 | 113 | | |
| 317 | Q | 38.3 | Very low | 35.1 | Very low | 176 Ų | 176 | 146.5 Ų | 146.5 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | | | trans | -96.9 | -175.3 | 156.4 | -58.4 | -168.1 | 23.8 | 0 | 0 | 107.9 | | |
| 318 | V | 34.3 | Very low | 35.8 | Very low | 116 Ų | 116 | 142.4 Ų | 142.4 | 70% | 0.703 | 76% | 0.755 | S | S | * | * | | | cis | -149 | 171.6 | 17.8 | -77.3 | 0 | 0 | 0 | 0 | 107.4 | | |
| 319 | I | 39.3 | Very low | 35.9 | Very low | 153 Ų | 153 | 149.6 Ų | 149.6 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | | | cis | -132.5 | 163.3 | 6 | -92 | 108.9 | 0 | 0 | 0 | 105.9 | | |
| 320 | G | 33.7 | Very low | 35.9 | Very low | 43 Ų | 43 | 145 Ų | 145 | 44% | 0.443 | 76% | 0.756 | S | S | . | * | | | cis | 130.4 | 126.2 | 2.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 321 | E | 31.9 | Very low | 36.2 | Very low | 177 Ų | 177 | 149.1 Ų | 149.1 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | | | trans | 58.2 | 148.8 | 168 | -64.8 | 92.4 | -97.1 | 0 | 0 | 120.1 | | |
| 322 | S | 32.8 | Very low | 36.2 | Very low | 111 Ų | 111 | 147.7 Ų | 147.7 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | | | cis | -155 | 162.3 | -6.2 | -121.4 | 0 | 0 | 0 | 0 | 116.1 | | |
| 323 | Y | 27.2 | Very low | 36.3 | Very low | 204 Ų | 204 | 144.7 Ų | 144.7 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | | | trans | -40.6 | 131.4 | 173.8 | -152.7 | -114.6 | 0 | 0 | 0 | 116.3 | | |
| 324 | N | 36.4 | Very low | 36.5 | Very low | 120 Ų | 120 | 145.1 Ų | 145.1 | 64% | 0.642 | 78% | 0.776 | S | S | * | * | | | | 96.3 | -177.2 | 70.2 | -139.4 | 1.4 | 0 | 0 | 0 | 113.2 | | |
| 325 | P | 55.5 | Low | 36.7 | Very low | 102 Ų | 102 | 142.3 Ų | 142.3 | 66% | 0.662 | 77% | 0.77 | S | S | * | * | | | | -121.6 | 157.9 | -115.5 | 40.4 | -25.2 | 0 | 0 | 0 | 117.9 | | |
| 326 | A | 29.4 | Very low | 36.9 | Very low | 102 Ų | 102 | 138 Ų | 138 | 84% | 0.843 | 76% | 0.764 | S | S | * | * | | | trans | -162.8 | 139.8 | 159.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 327 | E | 39.6 | Very low | 36.8 | Very low | 185 Ų | 185 | 141.1 Ų | 141.1 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | | | trans | -104.8 | -179.5 | 151.9 | -66.4 | -162 | 99.8 | 0 | 0 | 108.4 | | |
| 328 | P | 50.8 | Low | 36.8 | Very low | 109 Ų | 109 | 138.1 Ų | 138.1 | 71% | 0.708 | 76% | 0.762 | S | S | * | * | | | cis | -139.1 | -173.8 | 1.8 | 39.8 | -19.6 | 0 | 0 | 0 | 116.7 | | |
| 329 | R | 34 | Very low | 37.5 | Very low | 238 Ų | 238 | 138.7 Ų | 138.7 | 90% | 0.898 | 77% | 0.768 | S | S | * | * | | | trans | 96.8 | 119.9 | 135.8 | -165.9 | 173.6 | -172.6 | 105.2 | -3.9 | 121.9 | | |
| 330 | A | 34 | Very low | 37.7 | Very low | 82 Ų | 82 | 141.7 Ų | 141.7 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | | | trans | 86.1 | 116.5 | 142.7 | 0 | 0 | 0 | 0 | 0 | 123.8 | | |
| 331 | K | 38.8 | Very low | 37.7 | Very low | 214 Ų | 214 | 143.2 Ų | 143.2 | 93% | 0.93 | 79% | 0.791 | S | S | * | * | | | trans | 46.2 | 114.6 | 131.6 | -61.1 | -172 | 178.3 | -174.1 | 0 | 120.7 | | |
| 332 | G | 29.4 | Very low | 38.2 | Very low | 82 Ų | 82 | 139.8 Ų | 139.8 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | | | trans | -173.1 | 144.5 | 154.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 333 | A | 39.3 | Very low | 38.1 | Very low | 91 Ų | 91 | 145.7 Ų | 145.7 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | | | trans | -144.3 | 138.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 334 | Q | 38.7 | Very low | 38.9 | Very low | 166 Ų | 166 | 145.6 Ų | 145.6 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | | | trans | -156.8 | 128.9 | 163.6 | -73.6 | -60.1 | -84.5 | 0 | 0 | 110.3 | | |
| 335 | F | 37.3 | Very low | 38.8 | Very low | 174 Ų | 174 | 143.5 Ų | 143.5 | 76% | 0.763 | 81% | 0.81 | S | S | * | * | | | trans | 36.1 | 153.4 | 148.5 | -59.2 | -76.7 | 0 | 0 | 0 | 122.6 | | |
| 336 | L | 39.7 | Very low | 37.8 | Very low | 140 Ų | 140 | 145.1 Ų | 145.1 | 73% | 0.733 | 82% | 0.824 | S | S | * | * | | | cis | -149.4 | 149.5 | 36 | -74.9 | 160.3 | 0 | 0 | 0 | 114.5 | | |
| 337 | K | 32.5 | Very low | 37.8 | Very low | 178 Ų | 178 | 143.9 Ų | 143.9 | 77% | 0.774 | 82% | 0.821 | S | S | * | * | | | trans | 37.1 | 116.7 | 143.5 | -63.4 | 172.3 | -178.8 | 175.2 | 0 | 120 | | |
| 338 | S | 37.5 | Very low | 37.6 | Very low | 114 Ų | 114 | 138.7 Ų | 138.7 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | | | | 84.4 | 155.8 | 63.3 | -67.5 | 0 | 0 | 0 | 0 | 114.8 | | |
| 339 | P | 49.7 | Very low | 36.9 | Very low | 128 Ų | 128 | 140.4 Ų | 140.4 | 83% | 0.831 | 82% | 0.82 | S | S | * | * | | | cis | -131 | -178.2 | -11.3 | 37.3 | -18.9 | 0 | 0 | 0 | 115.1 | | |
| 340 | K | 42.8 | Very low | 37.1 | Very low | 215 Ų | 215 | 136 Ų | 136 | 94% | 0.935 | 82% | 0.815 | S | S | * | * | | | trans | -134 | 145.4 | 166.2 | -176.7 | 176.2 | -177.4 | 175.5 | 0 | 108.9 | | |
| 341 | G | 33.8 | Very low | 37 | Very low | 76 Ų | 76 | 135.7 Ų | 135.7 | 78% | 0.784 | 82% | 0.819 | S | S | * | * | | | trans | -162.6 | 149.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 342 | A | 42.5 | Very low | 36.6 | Very low | 104 Ų | 104 | 129.7 Ų | 129.7 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | | | trans | -158.7 | 156.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 343 | Y | 31.7 | Very low | 36.7 | Very low | 235 Ų | 235 | 128.9 Ų | 128.9 | 92% | 0.922 | 81% | 0.81 | S | S | * | * | | | trans | -151.9 | 174 | 167 | 65.2 | -92.9 | 0 | 0 | 0 | 113.5 | | |
| 344 | K | 43.1 | Very low | 36.5 | Very low | 203 Ų | 203 | 134.9 Ų | 134.9 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | | | trans | -87.4 | 164.7 | -167.1 | -59.4 | 174.6 | 173.1 | 180 | 0 | 114.4 | | |
| 345 | G | 34.7 | Very low | 36.3 | Very low | 75 Ų | 75 | 131.9 Ų | 131.9 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | | | trans | 171.2 | 97.6 | 145.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 346 | S | 33.5 | Very low | 36 | Very low | 137 Ų | 137 | 130.5 Ų | 130.5 | 96% | 0.958 | 82% | 0.817 | S | S | * | * | | | trans | 17.2 | 146.4 | 147.4 | -154.1 | 0 | 0 | 0 | 0 | 123.3 | | |
| 347 | G | 30.5 | Very low | 35.7 | Very low | 76 Ų | 76 | 133 Ų | 133 | 78% | 0.784 | 82% | 0.822 | S | S | * | * | | | trans | 144 | 129.3 | 157.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 348 | G | 35.3 | Very low | 35.7 | Very low | 76 Ų | 76 | 129.1 Ų | 129.1 | 78% | 0.784 | 82% | 0.816 | S | S | * | * | | | trans | -134.8 | 176.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 349 | N | 37.1 | Very low | 35.4 | Very low | 144 Ų | 144 | 131.4 Ų | 131.4 | 77% | 0.77 | 81% | 0.814 | S | S | * | * | | | trans | 103.4 | 145.2 | 148.2 | -152.5 | 31.3 | 0 | 0 | 0 | 120.2 | | |
| 350 | N | 36.5 | Very low | 34.2 | Very low | 147 Ų | 147 | 128.6 Ų | 128.6 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | | | trans | 65 | 144.4 | 171.3 | -60.8 | -30.5 | 0 | 0 | 0 | 119 | | |
| 351 | G | 32.6 | Very low | 33.5 | Very low | 74 Ų | 74 | 129 Ų | 129 | 76% | 0.763 | 81% | 0.805 | S | S | * | * | | | cis | 163.4 | 135.3 | -12.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 352 | G | 29.8 | Very low | 33.4 | Very low | 89 Ų | 89 | 133.6 Ų | 133.6 | 92% | 0.918 | 81% | 0.806 | S | S | * | * | | | trans | 77.3 | 156.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 353 | G | 32 | Very low | 34.2 | Very low | 65 Ų | 65 | 133.1 Ų | 133.1 | 67% | 0.67 | 79% | 0.794 | S | S | * | * | | | cis | 134 | 136.2 | -12.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 354 | K | 34.9 | Very low | 35 | Very low | 217 Ų | 217 | 127.2 Ų | 127.2 | 94% | 0.943 | 78% | 0.784 | S | S | * | * | | | trans | 57.5 | 160.3 | 168.4 | 57.4 | 169.9 | 178.7 | -178.9 | 0 | 117.7 | | |
| 355 | S | 35.4 | Very low | 34.5 | Very low | 103 Ų | 103 | 124.9 Ų | 124.9 | 72% | 0.72 | 78% | 0.78 | S | S | * | * | | | cis | -171 | 167.2 | -28.1 | -178.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 356 | N | 31.3 | Very low | 34.4 | Very low | 145 Ų | 145 | 129.5 Ų | 129.5 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | | | trans | -21.3 | 142.1 | 172.3 | -50.8 | -7.9 | 0 | 0 | 0 | 119.8 | | |
| 357 | K | 32.2 | Very low | 34.2 | Very low | 193 Ų | 193 | 127.7 Ų | 127.7 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | | | | -161.5 | 166.9 | 118.4 | -139.2 | 71.9 | -179.8 | -171 | 0 | 113.3 | | |
| 358 | C | 32.6 | Very low | 34.5 | Very low | 96 Ų | 96 | 131.8 Ų | 131.8 | 65% | 0.649 | 77% | 0.766 | S | S | * | * | | | trans | -126.4 | -163.8 | -177.6 | 52.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 359 | H | 30.6 | Very low | 34.2 | Very low | 162 Ų | 162 | 134.2 Ų | 134.2 | 75% | 0.75 | 76% | 0.76 | S | S | * | * | | | trans | 84.8 | 146.5 | -175.2 | -47 | 81.9 | 0 | 0 | 0 | 114.8 | | |
| 360 | G | 26.4 | Very low | 34.1 | Very low | 68 Ų | 68 | 136 Ų | 136 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | | | cis | 165.7 | 178.7 | -7 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 361 | Y | 28 | Very low | 33.8 | Very low | 224 Ų | 224 | 132.8 Ų | 132.8 | 88% | 0.878 | 77% | 0.765 | S | S | * | * | | | trans | 89.3 | 99.6 | 166.1 | -66.4 | -83.4 | 0 | 0 | 0 | 123.1 | | |
| 362 | H | 30.1 | Very low | 33.6 | Very low | 173 Ų | 173 | 132.9 Ų | 132.9 | 80% | 0.801 | 77% | 0.766 | S | S | * | * | | | | 65.2 | 139.7 | 117.1 | -148 | -89.5 | 0 | 0 | 0 | 124.4 | | |
| 363 | P | 60.9 | Low | 33.7 | Very low | 93 Ų | 93 | 136.6 Ų | 136.6 | 60% | 0.604 | 77% | 0.765 | S | S | * | * | | | trans | -114.5 | -163.1 | -179.5 | 45.4 | -37.8 | 0 | 0 | 0 | 115 | | |
| 364 | P | 46.8 | Very low | 33.9 | Very low | 111 Ų | 111 | 138.2 Ų | 138.2 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | | | trans | -137.6 | 128 | 147.5 | 36 | -20.6 | 0 | 0 | 0 | 117.4 | | |
| 365 | I | 32.4 | Very low | 33.9 | Very low | 155 Ų | 155 | 132.4 Ų | 132.4 | 80% | 0.795 | 77% | 0.765 | S | S | * | * | | | | 70.6 | 138.8 | 103.8 | -30.9 | 175.8 | 0 | 0 | 0 | 119.3 | | |
| 366 | Q | 33.5 | Very low | 33.7 | Very low | 171 Ų | 171 | 130.7 Ų | 130.7 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | | | trans | 103.7 | 144.7 | 154.4 | -59.5 | -163.8 | 93.9 | 0 | 0 | 117.9 | | |
| 367 | T | 30.2 | Very low | 33.9 | Very low | 100 Ų | 100 | 133.1 Ų | 133.1 | 61% | 0.613 | 77% | 0.769 | S | S | * | * | | | cis | -171.3 | 144.7 | -7.1 | 22.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 368 | M | 36.2 | Very low | 33.7 | Very low | 162 Ų | 162 | 127.6 Ų | 127.6 | 80% | 0.798 | 77% | 0.767 | S | S | * | * | | | trans | 58 | 172.6 | 145.6 | -57.2 | -43.1 | -176.1 | 0 | 0 | 120.4 | | |
| 369 | L | 29 | Very low | 33.6 | Very low | 126 Ų | 126 | 126.5 Ų | 126.5 | 66% | 0.66 | 77% | 0.772 | S | S | * | * | | | cis | -161.4 | 163.6 | -34.7 | -105 | 170.7 | 0 | 0 | 0 | 111.7 | | |
| 370 | H | 35.3 | Very low | 33.8 | Very low | 181 Ų | 181 | 127.5 Ų | 127.5 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | | | trans | 64.9 | 159.2 | 166.9 | -58 | -13.8 | 0 | 0 | 0 | 117.3 | | |
| 371 | G | 29.7 | Very low | 34.2 | Very low | 81 Ų | 81 | 131.6 Ų | 131.6 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | | | cis | 151.8 | 134.9 | -17 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 372 | G | 29 | Very low | 34.6 | Very low | 76 Ų | 76 | 126.4 Ų | 126.4 | 78% | 0.784 | 77% | 0.774 | S | S | * | * | | | trans | 118.7 | 98.3 | 144.6 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 373 | N | 32 | Very low | 34.9 | Very low | 167 Ų | 167 | 128.4 Ų | 128.4 | 89% | 0.893 | 78% | 0.776 | S | S | * | * | | | trans | 51.7 | 144.4 | 134.2 | -82.7 | 17.4 | 0 | 0 | 0 | 126.7 | | |
| 374 | A | 35.2 | Very low | 33.5 | Very low | 98 Ų | 98 | 133.1 Ų | 133.1 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | | | trans | 79 | 156.8 | 138.3 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 375 | A | 35.1 | Very low | 33.3 | Very low | 96 Ų | 96 | 134.7 Ų | 134.7 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | | | cis | -173.1 | 163.2 | -28.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 376 | G | 30.3 | Very low | 33.6 | Very low | 66 Ų | 66 | 133.1 Ų | 133.1 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | | | trans | 82.1 | 157.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 377 | H | 37.3 | Very low | 33.6 | Very low | 196 Ų | 196 | 133 Ų | 133 | 91% | 0.907 | 79% | 0.791 | S | S | * | * | | | cis | -143 | 169.3 | -3.8 | -71.2 | -101 | 0 | 0 | 0 | 107.6 | | |
| 378 | G | 27.9 | Very low | 33.7 | Very low | 78 Ų | 78 | 137.9 Ų | 137.9 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | | | cis | 130.4 | 106.9 | 2 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 379 | G | 30.4 | Very low | 33.4 | Very low | 73 Ų | 73 | 134.4 Ų | 134.4 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | | | trans | 129.3 | 117.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 380 | Q | 35.1 | Very low | 34.6 | Very low | 183 Ų | 183 | 133.8 Ų | 133.8 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | | | cis | 77.1 | 92.6 | 19 | -58.4 | -75.2 | 6 | 0 | 0 | 116.6 | | |
| 381 | D | 34.6 | Very low | 34.6 | Very low | 154 Ų | 154 | 130.9 Ų | 130.9 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | | | trans | 173.3 | 158.8 | 140.5 | -101.4 | -11.8 | 0 | 0 | 0 | 109.2 | | |
| 382 | V | 35.2 | Very low | 34.6 | Very low | 114 Ų | 114 | 132.5 Ų | 132.5 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | | | cis | -159.4 | 159.7 | -39.4 | 113.1 | 0 | 0 | 0 | 0 | 107.3 | | |
| 383 | Y | 36.3 | Very low | 34.6 | Very low | 216 Ų | 216 | 132.1 Ų | 132.1 | 85% | 0.847 | 79% | 0.792 | S | S | * | * | | | trans | -65.7 | 141.7 | -174 | -59.5 | -96.1 | 0 | 0 | 0 | 115.3 | | |
| 384 | H | 33 | Very low | 34.6 | Very low | 192 Ų | 192 | 132 Ų | 132 | 89% | 0.889 | 79% | 0.786 | S | S | * | * | | | trans | -143.9 | 130.7 | 139.8 | -81.1 | -54 | 0 | 0 | 0 | 112.5 | | |
| 385 | L | 40.9 | Very low | 34.5 | Very low | 143 Ų | 143 | 135 Ų | 135 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | | | trans | -129.2 | 130.2 | 173.7 | 179.4 | 79 | 0 | 0 | 0 | 108.6 | | |
| 386 | P | 38.8 | Very low | 34.3 | Very low | 123 Ų | 123 | 139.3 Ų | 139.3 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | | | trans | -100.8 | 114.1 | 164.6 | 33 | -25.5 | 0 | 0 | 0 | 111 | | |
| 387 | H | 34.3 | Very low | 34.7 | Very low | 169 Ų | 169 | 144.7 Ų | 144.7 | 78% | 0.782 | 79% | 0.793 | S | S | * | * | | | trans | -92.1 | 125.1 | 164.8 | -121.3 | 74.2 | 0 | 0 | 0 | 108.9 | | |
| 388 | Q | 31.2 | Very low | 34.9 | Very low | 201 Ų | 201 | 140.6 Ų | 140.6 | 94% | 0.939 | 79% | 0.785 | S | S | * | * | | | trans | -160.6 | 147.3 | 156.1 | -120.7 | 173.1 | 65.2 | 0 | 0 | 112.8 | | |
| 389 | A | 30.8 | Very low | 35.7 | Very low | 90 Ų | 90 | 144 Ų | 144 | 74% | 0.744 | 78% | 0.784 | S | S | * | * | | | trans | -165.6 | -175.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 390 | P | 54.3 | Low | 35.9 | Very low | 112 Ų | 112 | 149.2 Ų | 149.2 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | | -114.5 | -177.6 | -53.5 | 38.1 | -27.1 | 0 | 0 | 0 | 111.2 | | |
| 391 | P | 35.3 | Very low | 35.9 | Very low | 120 Ų | 120 | 147.2 Ų | 147.2 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | | | | -129.5 | 145.8 | 111.6 | 12.9 | 7.2 | 0 | 0 | 0 | 111.6 | | |
| 392 | S | 29.6 | Very low | 35.7 | Very low | 115 Ų | 115 | 145.5 Ų | 145.5 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | | 63.5 | 129.2 | 69.4 | -97.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 393 | A | 29.2 | Very low | 36.1 | Very low | 68 Ų | 68 | 147.2 Ų | 147.2 | 56% | 0.562 | 78% | 0.779 | S | S | * | * | | | cis | -159.9 | 166.9 | 2.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 394 | H | 30.9 | Very low | 36.1 | Very low | 165 Ų | 165 | 142.1 Ų | 142.1 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | | | trans | 65.5 | 159.7 | 161 | -58.8 | -51.5 | 0 | 0 | 0 | 119.4 | | |
| 395 | H | 33.6 | Very low | 36.5 | Very low | 161 Ų | 161 | 142.1 Ų | 142.1 | 75% | 0.745 | 77% | 0.772 | S | S | * | * | | | cis | 176.8 | 160.3 | -46.6 | -101.1 | -4.4 | 0 | 0 | 0 | 108.7 | | |
| 396 | Q | 32 | Very low | 36.4 | Very low | 186 Ų | 186 | 146.1 Ų | 146.1 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | | | trans | 84.4 | 124.8 | 160.9 | -43.7 | -151.7 | 8.4 | 0 | 0 | 120.4 | | |
| 397 | H | 38.4 | Very low | 36.5 | Very low | 179 Ų | 179 | 147.8 Ų | 147.8 | 83% | 0.829 | 78% | 0.779 | S | S | * | * | | | trans | -65.9 | 162 | 147.7 | -72.2 | -83.5 | 0 | 0 | 0 | 109.7 | | |
| 398 | P | 41.6 | Very low | 36.5 | Very low | 111 Ų | 111 | 148.4 Ų | 148.4 | 72% | 0.721 | 78% | 0.779 | S | S | * | * | | | cis | -153.1 | -177.5 | 47.9 | 43 | -20.9 | 0 | 0 | 0 | 118.8 | | |
| 399 | L | 44.1 | Very low | 36.7 | Very low | 150 Ų | 150 | 143.6 Ų | 143.6 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | | | trans | 10.2 | 127.9 | 150.5 | -60.2 | 168.3 | 0 | 0 | 0 | 118.8 | | |
| 400 | Q | 35.3 | Very low | 37.1 | Very low | 182 Ų | 182 | 150 Ų | 150 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | | | | -153.6 | 151.2 | 128 | -95.1 | -33.6 | -66.8 | 0 | 0 | 114.9 | | |
| 401 | H | 35.2 | Very low | 36 | Very low | 141 Ų | 141 | 148.9 Ų | 148.9 | 65% | 0.653 | 78% | 0.779 | S | S | * | * | | | trans | -91.2 | 121.5 | 175.9 | 178.8 | 39.9 | 0 | 0 | 0 | 109.6 | H403 | H401-H403 AromaticContact CD2-NE2 3.74Å; H401-H403 AromaticContact CE1-CE1 3.92Å; H401-H403 AromaticContact NE2-CD2 3.98Å; H401-H403 AromaticContact NE2-CE1 3.33Å; H401-H403 PolarHBondContact NE2-CE1 3.4Å; H401-H403 VanDerWaalsContact NE2-CE1 3.33Å; H401-H403 AromaticContact NE2-ND1 3.99Å; H401-H403 AromaticContact NE2-NE2 3.35Å; H401-H403 PolarHBondContact NE2-NE2 3.42Å |
| 402 | S | 30.3 | Very low | 35.9 | Very low | 118 Ų | 118 | 153.8 Ų | 153.8 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | | | trans | -101.8 | 88.6 | -175.6 | -168.7 | 0 | 0 | 0 | 0 | 112.6 | | |
| 403 | H | 42.9 | Very low | 36.1 | Very low | 150 Ų | 150 | 154.9 Ų | 154.9 | 69% | 0.694 | 78% | 0.779 | S | S | * | * | | | trans | -76.6 | 142.9 | 159.7 | -68.6 | -60.3 | 0 | 0 | 0 | 110.3 | H401 | H401-H403 AromaticContact CD2-NE2 3.74Å; H401-H403 AromaticContact CE1-CE1 3.92Å; H401-H403 AromaticContact NE2-CD2 3.98Å; H401-H403 AromaticContact NE2-CE1 3.33Å; H401-H403 PolarHBondContact NE2-CE1 3.4Å; H401-H403 VanDerWaalsContact NE2-CE1 3.33Å; H401-H403 AromaticContact NE2-ND1 3.99Å; H401-H403 AromaticContact NE2-NE2 3.35Å; H401-H403 PolarHBondContact NE2-NE2 3.42Å |
| 404 | S | 36.8 | Very low | 36.3 | Very low | 108 Ų | 108 | 156.4 Ų | 156.4 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | | | trans | -136.5 | 114.1 | 162.6 | -167.9 | 0 | 0 | 0 | 0 | 111.3 | | |
| 405 | K | 41.5 | Very low | 36.4 | Very low | 192 Ų | 192 | 156.4 Ų | 156.4 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | | | trans | -101.1 | 123.9 | 172.1 | -67.1 | 176.1 | 179.8 | 173.8 | 0 | 109.1 | | |
| 406 | R | 39.3 | Very low | 36.5 | Very low | 228 Ų | 228 | 154.4 Ų | 154.4 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | | | trans | -135 | 104.5 | 155.6 | -67.6 | -167.2 | -176.3 | -149.7 | -0.1 | 107.9 | | |
| 407 | L | 39.1 | Very low | 37.1 | Very low | 158 Ų | 158 | 151.1 Ų | 151.1 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | | | | 84.7 | 72 | 79.6 | -80.3 | 167.3 | 0 | 0 | 0 | 113.5 | A409 | L407-A409 PolarHBondContact O-N 3.32Š|
| 408 | K | 35.5 | Very low | 36.8 | Very low | 181 Ų | 181 | 148.8 Ų | 148.8 | 79% | 0.787 | 79% | 0.785 | S | S | * | * | | | trans | 4 | 106.3 | 136.6 | -179.8 | -178.1 | 178.4 | 178.6 | 0 | 115.6 | R410 | K408-R410 HydrophobicContact CG-CG 4.23Š|
| 409 | A | 36 | Very low | 36.4 | Very low | 100 Ų | 100 | 153.1 Ų | 153.1 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | | | trans | -83.2 | 131.4 | 156.5 | 0 | 0 | 0 | 0 | 0 | 110 | L407 | L407-A409 PolarHBondContact O-N 3.32Š|
| 410 | R | 38.2 | Very low | 35.9 | Very low | 224 Ų | 224 | 152.2 Ų | 152.2 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | | | trans | -151 | 105.3 | 172 | -94.7 | -66.5 | -173.1 | 166.5 | 1 | 111.1 | K408 | K408-R410 HydrophobicContact CG-CG 4.23Š|
| 411 | A | 30.9 | Very low | 36.2 | Very low | 90 Ų | 90 | 148.5 Ų | 148.5 | 74% | 0.744 | 79% | 0.785 | S | S | * | * | | | trans | -145.2 | 121.4 | 156.4 | 0 | 0 | 0 | 0 | 0 | 104.1 | | |
| 412 | R | 34.3 | Very low | 35.9 | Very low | 223 Ų | 223 | 149.7 Ų | 149.7 | 84% | 0.842 | 80% | 0.795 | S | S | * | * | | | | 68.4 | 135.8 | 90.2 | -92.7 | -172.2 | 175 | 162.6 | -0.6 | 112 | | |
| 413 | D | 32.2 | Very low | 36.2 | Very low | 138 Ų | 138 | 150 Ų | 150 | 74% | 0.738 | 79% | 0.793 | S | S | * | * | | | cis | -127.5 | 168.6 | 19.4 | -83.9 | -63.9 | 0 | 0 | 0 | 116 | | |
| 414 | S | 34.5 | Very low | 36.1 | Very low | 99 Ų | 99 | 148.7 Ų | 148.7 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | | | trans | -82.8 | 151.5 | 168.2 | 51 | 0 | 0 | 0 | 0 | 111.9 | | |
| 415 | M | 32.4 | Very low | 35.9 | Very low | 166 Ų | 166 | 150.2 Ų | 150.2 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | | 163.1 | 124.2 | 128.2 | -85.6 | -82.6 | -92 | 0 | 0 | 111 | | |
| 416 | S | 35.6 | Very low | 36.1 | Very low | 118 Ų | 118 | 146 Ų | 146 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | | | trans | -108 | 141.1 | 156.1 | -59.8 | 0 | 0 | 0 | 0 | 107.9 | | |
| 417 | P | 44.3 | Very low | 35.9 | Very low | 117 Ų | 117 | 141.7 Ų | 141.7 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | | | | -141.2 | 158.7 | 128.8 | 36 | -22.9 | 0 | 0 | 0 | 115.1 | | |
| 418 | T | 33.5 | Very low | 35.7 | Very low | 131 Ų | 131 | 141.7 Ų | 141.7 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | | | trans | -65.1 | 139.6 | -179.1 | -37.6 | 0 | 0 | 0 | 0 | 114.3 | | |
| 419 | K | 32.7 | Very low | 35.6 | Very low | 201 Ų | 201 | 139.6 Ų | 139.6 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | | | | 170.3 | 145.6 | 125.4 | -91.8 | 159.5 | -174.9 | -179.6 | 0 | 114.1 | | |
| 420 | T | 34.3 | Very low | 35.4 | Very low | 132 Ų | 132 | 142.4 Ų | 142.4 | 81% | 0.81 | 76% | 0.758 | S | S | * | * | | | trans | -80.6 | 173.7 | 161.1 | 42 | 0 | 0 | 0 | 0 | 110.2 | | |
| 421 | P | 41.3 | Very low | 35.1 | Very low | 104 Ų | 104 | 140 Ų | 140 | 68% | 0.675 | 76% | 0.757 | S | S | * | * | | | cis | -146.9 | -167.4 | 21.4 | 45.5 | -25.1 | 0 | 0 | 0 | 117.7 | | |
| 422 | L | 29.2 | Very low | 35.9 | Very low | 165 Ų | 165 | 141.3 Ų | 141.3 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | | | trans | 80.4 | 140.2 | 154.9 | -69 | 171.5 | 0 | 0 | 0 | 122.1 | | |
| 423 | T | 35 | Very low | 35.7 | Very low | 126 Ų | 126 | 134.9 Ų | 134.9 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | | | trans | -80.9 | 163.3 | 167.5 | 0.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 424 | P | 40.8 | Very low | 35.8 | Very low | 122 Ų | 122 | 136.4 Ų | 136.4 | 79% | 0.792 | 76% | 0.757 | S | S | * | * | | | | -148.8 | 177.6 | 70.1 | 40 | -19.7 | 0 | 0 | 0 | 117.7 | | |
| 425 | Q | 33.6 | Very low | 36.5 | Very low | 140 Ų | 140 | 137 Ų | 137 | 65% | 0.654 | 76% | 0.758 | S | S | * | * | | | trans | -73.5 | 168.7 | 167 | -149.3 | -156.8 | 28.1 | 0 | 0 | 110.9 | H427 | Q425-H427 PolarHBondContact OE1-ND1 3.05Å; Q425-H427 VanDerWaalsContact OE1-ND1 3.16Å |
| 426 | P | 44.7 | Very low | 36.5 | Very low | 102 Ų | 102 | 133.7 Ų | 133.7 | 66% | 0.662 | 75% | 0.751 | S | S | * | * | | | | -149.6 | 129 | 93.2 | 33.9 | -14.5 | 0 | 0 | 0 | 117.5 | | |
| 427 | H | 34.8 | Very low | 36.2 | Very low | 139 Ų | 139 | 135.8 Ų | 135.8 | 64% | 0.644 | 75% | 0.75 | S | S | * | * | | | trans | 55.3 | -163.4 | 151.2 | -39.1 | -33.5 | 0 | 0 | 0 | 115.3 | Q425 | Q425-H427 PolarHBondContact OE1-ND1 3.05Å; Q425-H427 VanDerWaalsContact OE1-ND1 3.16Å |
| 428 | H | 35.3 | Very low | 35.9 | Very low | 157 Ų | 157 | 138.2 Ų | 138.2 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | | | cis | -155.6 | 165.6 | -21.5 | -130.5 | 5.4 | 0 | 0 | 0 | 106.6 | | |
| 429 | Q | 33.4 | Very low | 36.5 | Very low | 137 Ų | 137 | 138.1 Ų | 138.1 | 64% | 0.64 | 76% | 0.758 | S | S | * | * | | | cis | -136.2 | -150.5 | -2.5 | -143.9 | 174.4 | 104.9 | 0 | 0 | 105.4 | | |
| 430 | Q | 32.6 | Very low | 36.5 | Very low | 159 Ų | 159 | 131.5 Ų | 131.5 | 74% | 0.743 | 75% | 0.747 | S | S | * | * | | | cis | -151 | -159.5 | -2.5 | -153.7 | 163.4 | 53.5 | 0 | 0 | 108.8 | | |
| 431 | Q | 31.9 | Very low | 36.7 | Very low | 175 Ų | 175 | 134.7 Ų | 134.7 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | | | trans | -156.6 | 174.8 | 179.3 | -109.5 | -168.7 | 18.6 | 0 | 0 | 110 | | |
| 432 | P | 47.3 | Very low | 36.6 | Very low | 117 Ų | 117 | 139 Ų | 139 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | | | cis | -113.6 | -152.5 | 19.7 | 32.9 | -10.7 | 0 | 0 | 0 | 112 | | |
| 433 | A | 29.7 | Very low | 37.3 | Very low | 87 Ų | 87 | 140.5 Ų | 140.5 | 72% | 0.719 | 76% | 0.76 | S | S | * | * | | | cis | -156.9 | -178.6 | 11.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 434 | M | 34.9 | Very low | 37.5 | Very low | 170 Ų | 170 | 143.8 Ų | 143.8 | 84% | 0.837 | 77% | 0.766 | S | S | * | * | | | trans | -148 | 176.4 | 176.7 | -77.8 | -63.7 | -78.5 | 0 | 0 | 107.9 | | |
| 435 | P | 48.5 | Very low | 37.6 | Very low | 112 Ų | 112 | 145.2 Ų | 145.2 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | | | cis | -127 | -162.9 | 9.3 | 44.2 | -25.7 | 0 | 0 | 0 | 112.2 | | |
| 436 | S | 33.4 | Very low | 37.7 | Very low | 96 Ų | 96 | 143.2 Ų | 143.2 | 67% | 0.671 | 77% | 0.77 | S | S | * | * | | | cis | -160.9 | -178.4 | 10.8 | -144.7 | 0 | 0 | 0 | 0 | 108.2 | | |
| 437 | M | 29.8 | Very low | 37.5 | Very low | 163 Ų | 163 | 143.9 Ų | 143.9 | 80% | 0.803 | 78% | 0.777 | S | S | * | * | | | cis | -142.4 | 178.4 | 9.2 | -64.8 | -173.7 | 168.3 | 0 | 0 | 110.7 | | |
| 438 | L | 36.7 | Very low | 37.5 | Very low | 167 Ų | 167 | 140.9 Ų | 140.9 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | | | trans | -128.8 | 155.8 | 149.8 | -73.3 | 174.8 | 0 | 0 | 0 | 109 | | |
| 439 | P | 46.6 | Very low | 37.9 | Very low | 130 Ų | 130 | 139.2 Ų | 139.2 | 84% | 0.844 | 79% | 0.787 | S | S | * | * | | | | -141.6 | 161.3 | 109.7 | 38.4 | -26.8 | 0 | 0 | 0 | 113.4 | | |
| 440 | G | 32.2 | Very low | 38.8 | Very low | 62 Ų | 62 | 139 Ų | 139 | 64% | 0.639 | 80% | 0.798 | S | S | * | * | | | cis | 151.9 | 148.1 | -7.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 441 | M | 39.6 | Very low | 39.3 | Very low | 198 Ų | 198 | 135 Ų | 135 | 98% | 0.975 | 80% | 0.798 | S | S | * | * | | | trans | 68.9 | 154.8 | 172 | -55.2 | 175.2 | -176.9 | 0 | 0 | 114.1 | | |
| 442 | E | 38.5 | Very low | 39.7 | Very low | 195 Ų | 195 | 132 Ų | 132 | 91% | 0.911 | 80% | 0.797 | S | S | * | * | | | cis | -121.8 | -176.4 | 17.9 | -165.6 | 164.2 | 84.7 | 0 | 0 | 113.7 | | |
| 443 | R | 43.7 | Very low | 39.9 | Very low | 196 Ų | 196 | 132.5 Ų | 132.5 | 74% | 0.74 | 80% | 0.8 | S | S | * | * | | | trans | -149.2 | 129.4 | -167.2 | 168.7 | -155.3 | -168.7 | 164.8 | 4.3 | 110.3 | | |
| 444 | E | 39.7 | Very low | 40.6 | Very low | 195 Ų | 195 | 131.6 Ų | 131.6 | 91% | 0.911 | 80% | 0.799 | S | S | * | * | | | trans | -136 | 149.4 | 154.3 | -163.7 | 161.1 | 91.5 | 0 | 0 | 110.9 | | |
| 445 | Q | 43.3 | Very low | 41.2 | Very low | 153 Ų | 153 | 131.1 Ų | 131.1 | 72% | 0.715 | 80% | 0.798 | S | S | * | * | | | trans | -145.8 | 114 | -175.4 | -72.5 | -178.8 | -12.5 | 0 | 0 | 111.4 | | |
| 446 | A | 35 | Very low | 41.7 | Very low | 98 Ų | 98 | 132.1 Ų | 132.1 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | | | trans | -168.3 | 151.9 | 158.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 447 | S | 41.1 | Very low | 42.9 | Very low | 115 Ų | 115 | 133 Ų | 133 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | | | cis | -166.9 | 106.9 | -29.7 | 51.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 448 | G | 33.8 | Very low | 44.1 | Very low | 76 Ų | 76 | 130.1 Ų | 130.1 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | | | trans | 73.4 | 177.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 449 | P | 45.1 | Very low | 45.4 | Very low | 122 Ų | 122 | 128.4 Ų | 128.4 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | | | cis | -102.1 | 169.8 | -13.6 | 39.5 | -31.4 | 0 | 0 | 0 | 112.6 | | |
| 450 | P | 50.5 | Low | 46.1 | Very low | 134 Ų | 134 | 127.8 Ų | 127.8 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | | | trans | -87.1 | 140 | 178.9 | 33.8 | -33.4 | 0 | 0 | 0 | 113.2 | | |
| 451 | G | 45 | Very low | 47.8 | Very low | 73 Ų | 73 | 131.9 Ų | 131.9 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | | | trans | 132.3 | 78.4 | 158.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 452 | S | 40.4 | Very low | 49 | Very low | 114 Ų | 114 | 133.2 Ų | 133.2 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | | | trans | -162.6 | 136 | 150.8 | -82.3 | 0 | 0 | 0 | 0 | 109.8 | G454 | S452-G454 PolarHBondContact O-N 2.85Š|
| 453 | P | 51.3 | Low | 50.3 | Low | 126 Ų | 126 | 130.7 Ų | 130.7 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | trans | -70.1 | 118.6 | 173 | 29 | -32.3 | 0 | 0 | 0 | 109.4 | I455 | P453-I455 PolarHBondContact O-N 3.15Š|
| 454 | G | 43.7 | Very low | 51.4 | Low | 69 Ų | 69 | 129 Ų | 129 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | | | trans | -63.3 | 127.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S452 V456 | S452-G454 PolarHBondContact O-N 2.85Å; G454-V456 PolarHBondContact O-N 3.43Å |
| 455 | I | 46.6 | Very low | 52.8 | Low | 159 Ų | 159 | 126.5 Ų | 126.5 | 82% | 0.815 | 76% | 0.76 | S | S | * | * | | | trans | -69.8 | 102.9 | 174.5 | -61.6 | 174 | 0 | 0 | 0 | 108.2 | P453 V457 | P453-I455 PolarHBondContact O-N 3.15Å; I455-V457 PolarHBondContact O-N 3Å; I455-V457 VanDerWaalsContact O-N 3.14Å |
| 456 | V | 59.4 | Low | 53.9 | Low | 134 Ų | 134 | 126.2 Ų | 126.2 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | | | trans | -72.5 | 103.7 | 171.8 | -178 | 0 | 0 | 0 | 0 | 108.2 | G454 P458 | G454-V456 PolarHBondContact O-N 3.43Å; V456-P458 WeakPolarHBondContact O-CD 3.32Å |
| 457 | V | 58.1 | Low | 55.6 | Low | 114 Ų | 114 | 128.9 Ų | 128.9 | 69% | 0.691 | 75% | 0.753 | S | S | * | * | | | trans | -68.3 | 120.2 | 173.8 | -179.7 | 0 | 0 | 0 | 0 | 108.6 | I455 V459 | I455-V457 PolarHBondContact O-N 3Å; I455-V457 VanDerWaalsContact O-N 3.14Å; V457-V459 PolarHBondContact O-N 3.25Å |
| 458 | P | 56.4 | Low | 56.7 | Low | 102 Ų | 102 | 132.3 Ų | 132.3 | 66% | 0.662 | 76% | 0.756 | S | S | * | * | | | trans | -69.9 | 123.3 | 177.2 | 28 | -33 | 0 | 0 | 0 | 109.9 | V456 V460 | V456-P458 WeakPolarHBondContact O-CD 3.32Å; P458-V460 PolarHBondContact O-N 2.85Å; P458-V460 VanDerWaalsContact O-N 3.11Å |
| 459 | V | 62.8 | Low | 58.5 | Low | 132 Ų | 132 | 135.8 Ų | 135.8 | 80% | 0.8 | 75% | 0.752 | S | S | * | * | | | trans | -66.7 | 110.2 | 171.8 | 175.9 | 0 | 0 | 0 | 0 | 108.4 | V457 Q461 | V457-V459 PolarHBondContact O-N 3.25Å; V459-Q461 PolarHBondContact O-N 3.21Å |
| 460 | V | 62.3 | Low | 59.6 | Low | 117 Ų | 117 | 137.6 Ų | 137.6 | 71% | 0.709 | 75% | 0.75 | S | S | * | * | | | trans | -75.6 | 92.4 | 180 | -177.3 | 0 | 0 | 0 | 0 | 109.3 | P458 R462 | P458-V460 PolarHBondContact O-N 2.85Å; P458-V460 VanDerWaalsContact O-N 3.11Å; V460-R462 VanDerWaalsContact C-N 3.28Å; V460-R462 HydrophobicContact CG1-CG 4.33Å; V460-R462 PolarHBondContact O-N 3.42Å |
| 461 | Q | 67.9 | Low | 60.3 | Low | 147 Ų | 147 | 138.1 Ų | 138.1 | 69% | 0.687 | 74% | 0.74 | S | S | * | * | | | trans | -64.8 | 83.4 | 173.5 | -170.7 | 77 | 17.5 | 0 | 0 | 110.5 | V459 H463 | V459-Q461 PolarHBondContact O-N 3.21Å; Q461-H463 PolarHBondContact O-N 2.97Å; Q461-H463 PolarHBondContact O-ND1 3.35Å |
| 462 | R | 65.2 | Low | 61.3 | Low | 227 Ų | 227 | 141.1 Ų | 141.1 | 86% | 0.857 | 74% | 0.735 | S | S | * | * | | | trans | -62.9 | 107.9 | 174.7 | -74.8 | -171.6 | 163.6 | -142.3 | -6.2 | 109.7 | V460 | V460-R462 VanDerWaalsContact C-N 3.28Å; V460-R462 HydrophobicContact CG1-CG 4.33Å; V460-R462 PolarHBondContact O-N 3.42Å |
| 463 | H | 65.9 | Low | 62.5 | Low | 141 Ų | 141 | 143.1 Ų | 143.1 | 65% | 0.653 | 73% | 0.731 | S | S | * | * | | | trans | -79.3 | 129.5 | 168 | -85.7 | 71.5 | 0 | 0 | 0 | 109.9 | Q461 | Q461-H463 PolarHBondContact O-N 2.97Å; Q461-H463 PolarHBondContact O-ND1 3.35Å |
| 464 | E | 66.8 | Low | 63.1 | Low | 161 Ų | 161 | 144.8 Ų | 144.8 | 75% | 0.752 | 73% | 0.727 | S | S | * | * | | | trans | -100.6 | 99.1 | -176.6 | -168.5 | 173 | -149.1 | 0 | 0 | 110.4 | H466 | E464-H466 VanDerWaalsContact CD-CE1 3.43Å; E464-H466 PolarHBondContact O-N 3.14Å; E464-H466 IonicContact OE1-CE1 2.69Å; E464-H466 IonicContact OE2-CE1 3.87Å; E464-H466 PolarHBondContact OE2-CE1 3.12Å |
| 465 | H | 67.4 | Low | 63.8 | Low | 143 Ų | 143 | 149.1 Ų | 149.1 | 66% | 0.662 | 73% | 0.729 | S | S | * | * | | | trans | -84.3 | 92.3 | -177.3 | -67.8 | -82.3 | 0 | 0 | 0 | 111.1 | H467 | H465-H467 PolarHBondContact O-CD2 3.48Å; H465-H467 PolarHBondContact O-N 3.21Å |
| 466 | H | 67.5 | Low | 64.4 | Low | 146 Ų | 146 | 149.1 Ų | 149.1 | 68% | 0.676 | 73% | 0.725 | S | S | * | * | | | trans | -72.6 | 105.3 | 173.5 | -77.5 | 79.1 | 0 | 0 | 0 | 111 | E464 | E464-H466 VanDerWaalsContact CD-CE1 3.43Å; E464-H466 PolarHBondContact O-N 3.14Å; E464-H466 IonicContact OE1-CE1 2.69Å; E464-H466 IonicContact OE2-CE1 3.87Å; E464-H466 PolarHBondContact OE2-CE1 3.12Å |
| 467 | H | 69.6 | Low | 64.2 | Low | 155 Ų | 155 | 152.9 Ų | 152.9 | 72% | 0.718 | 73% | 0.726 | S | S | * | * | | | trans | -87.2 | 110 | 171.5 | -66.5 | -80.7 | 0 | 0 | 0 | 110.3 | H465 | H465-H467 PolarHBondContact O-CD2 3.48Å; H465-H467 PolarHBondContact O-N 3.21Å |
| 468 | H | 65.9 | Low | 64.3 | Low | 187 Ų | 187 | 155.1 Ų | 155.1 | 87% | 0.866 | 73% | 0.729 | S | S | * | * | | | trans | -71.5 | 143.6 | 164.4 | -102.7 | 51.3 | 0 | 0 | 0 | 110.3 | | |
| 469 | H | 71 | Confident | 64.1 | Low | 149 Ų | 149 | 158.4 Ų | 158.4 | 69% | 0.69 | 74% | 0.735 | S | S | * | * | | | trans | -127 | 119.8 | 170.9 | -72.9 | 4.8 | 0 | 0 | 0 | 107.9 | | |
| 470 | E | 67.3 | Low | 63.4 | Low | 159 Ų | 159 | 162.4 Ų | 162.4 | 74% | 0.743 | 74% | 0.737 | S | S | * | * | | | trans | -99.2 | 124.7 | 178.1 | -167.2 | 177 | 158.4 | 0 | 0 | 109.6 | H472 | E470-H472 VanDerWaalsContact CD-CE1 3.48Å; E470-H472 IonicContact OE1-CE1 3.32Å; E470-H472 PolarHBondContact OE1-CE1 2.81Å; E470-H472 IonicContact OE1-ND1 3.47Å; E470-H472 PolarHBondContact OE1-ND1 3.09Å |
| 471 | H | 65.8 | Low | 62.7 | Low | 146 Ų | 146 | 165.1 Ų | 165.1 | 68% | 0.676 | 74% | 0.742 | S | S | * | * | | | trans | -101.7 | 94.7 | -179.8 | -69.3 | -64.9 | 0 | 0 | 0 | 110.2 | H473 | H471-H473 PolarHBondContact O-N 3.29Š|
| 472 | H | 65.3 | Low | 61.7 | Low | 136 Ų | 136 | 167.3 Ų | 167.3 | 63% | 0.63 | 75% | 0.752 | S | S | * | * | | | trans | -70.4 | 111.9 | 172.5 | -58.6 | -40.5 | 0 | 0 | 0 | 110.6 | E470 | E470-H472 VanDerWaalsContact CD-CE1 3.48Å; E470-H472 IonicContact OE1-CE1 3.32Å; E470-H472 PolarHBondContact OE1-CE1 2.81Å; E470-H472 IonicContact OE1-ND1 3.47Å; E470-H472 PolarHBondContact OE1-ND1 3.09Å |
| 473 | H | 66.9 | Low | 60.8 | Low | 155 Ų | 155 | 166.1 Ų | 166.1 | 72% | 0.718 | 77% | 0.77 | S | S | * | * | | | trans | -85.1 | 110.1 | 173.3 | -68.8 | -73.5 | 0 | 0 | 0 | 110.8 | H471 H475 | H471-H473 PolarHBondContact O-N 3.29Å; H473-H475 PolarHBondContact O-N 2.75Å |
| 474 | H | 62.5 | Low | 60.5 | Low | 162 Ų | 162 | 167.4 Ų | 167.4 | 75% | 0.75 | 78% | 0.776 | S | S | * | * | | | trans | -78.3 | 108.3 | 171.8 | -70.5 | -55.2 | 0 | 0 | 0 | 111 | H476 | H474-H476 PolarHBondContact O-N 2.9Š|
| 475 | H | 58.5 | Low | 60.2 | Low | 159 Ų | 159 | 167.7 Ų | 167.7 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | | | trans | -77.7 | 105.3 | 172.4 | -68 | -76.6 | 0 | 0 | 0 | 110.9 | H473 Y477 | H473-H475 PolarHBondContact O-N 2.75Å; H475-Y477 PolarHBondContact O-N 2.87Å |
| 476 | H | 60.6 | Low | 59.8 | Low | 160 Ų | 160 | 169.1 Ų | 169.1 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | | | trans | -76.1 | 105.8 | 169.8 | -74.5 | -76.6 | 0 | 0 | 0 | 110.8 | H474 H478 | H474-H476 PolarHBondContact O-N 2.9Å; H476-H478 PolarHBondContact O-N 2.82Å |
| 477 | Y | 54.7 | Low | 59.4 | Low | 213 Ų | 213 | 170.5 Ų | 170.5 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | | | trans | -74 | 114 | 165.9 | -86.2 | -94.3 | 0 | 0 | 0 | 109.8 | H475 H479 | H475-Y477 PolarHBondContact O-N 2.87Å; Y477-H479 PolarHBondContact O-N 3.46Å |
| 478 | H | 59.1 | Low | 58.7 | Low | 161 Ų | 161 | 171.4 Ų | 171.4 | 75% | 0.745 | 80% | 0.795 | S | S | * | * | | | trans | -79.9 | 103 | 169.7 | -76 | -88.4 | 0 | 0 | 0 | 110.1 | H476 Y480 | H476-H478 PolarHBondContact O-N 2.82Å; H478-Y480 PolarHBondContact O-N 3.43Å |
| 479 | H | 52.8 | Low | 58.2 | Low | 170 Ų | 170 | 170.4 Ų | 170.4 | 79% | 0.787 | 79% | 0.79 | S | S | * | * | | | trans | -70 | 114 | 161.9 | -84.1 | -58.6 | 0 | 0 | 0 | 109.4 | Y477 | Y477-H479 PolarHBondContact O-N 3.46Š|
| 480 | Y | 48.2 | Very low | 57.3 | Low | 217 Ų | 217 | 171.9 Ų | 171.9 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | | | trans | -74.5 | 120.4 | 161.3 | -78.2 | -96.3 | 0 | 0 | 0 | 108.7 | H478 | H478-Y480 PolarHBondContact O-N 3.43Š|
| 481 | H | 47 | Very low | 56.6 | Low | 174 Ų | 174 | 172.9 Ų | 172.9 | 81% | 0.806 | 80% | 0.801 | S | S | * | * | | | trans | -90.4 | 127.2 | 157.8 | -71 | -36 | 0 | 0 | 0 | 108 | | |
| 482 | Q | 47.3 | Very low | 55.8 | Low | 192 Ų | 192 | 175.2 Ų | 175.2 | 90% | 0.897 | 81% | 0.812 | S | S | * | * | | | trans | -104.7 | 115.1 | 176.2 | -175.1 | 166 | 19.6 | 0 | 0 | 108.8 | | |
| 483 | T | 46.9 | Very low | 54.9 | Low | 203 Ų | 203 | 178.7 Ų | 178.7 | 100% | 1.245 | 83% | 0.828 | S | S | * | * | | | trans | -146.2 | 0 | 173.1 | 55.6 | 0 | 0 | 0 | 0 | 107.9 | | |