| 1 | M | 35.7 | Very low | 35.3 | Very low | 232 Ų | 232 | 141 Ų | 141 | 100% | 1.143 | 83% | 0.832 | S | S | * | * | | | | 0 | 80.5 | 0 | -56.5 | 171 | 86.2 | 0 | 0 | 104.8 | | |
| 2 | S | 37 | Very low | 35.1 | Very low | 123 Ų | 123 | 145 Ų | 145 | 86% | 0.86 | 84% | 0.837 | S | S | * | * | | | | 66.5 | 114.2 | 70.5 | -45.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 3 | G | 36.1 | Very low | 34.8 | Very low | 79 Ų | 79 | 142.5 Ų | 142.5 | 81% | 0.814 | 82% | 0.818 | S | S | * | * | | | cis | 112.4 | 126.9 | 0.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 4 | G | 32.7 | Very low | 35 | Very low | 84 Ų | 84 | 142.1 Ų | 142.1 | 87% | 0.866 | 83% | 0.828 | S | S | * | * | | | trans | 92.7 | 142 | -162.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 5 | G | 32 | Very low | 35.4 | Very low | 63 Ų | 63 | 136.6 Ų | 136.6 | 65% | 0.649 | 81% | 0.814 | S | S | * | * | | | cis | 164.7 | 40.4 | -3.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | I7 | G5-I7 PolarHBondContact O-N 2.7Å; G5-I7 VanDerWaalsContact O-N 3.08Å |
| 6 | D | 34.5 | Very low | 35.2 | Very low | 148 Ų | 148 | 139 Ų | 139 | 79% | 0.791 | 81% | 0.814 | S | S | * | * | | | trans | -71.5 | 103.8 | -168.5 | -64.5 | -52.4 | 0 | 0 | 0 | 113.7 | H8 | D6-H8 PolarHBondContact O-N 2.69Å; D6-H8 VanDerWaalsContact O-N 3.11Å |
| 7 | I | 36.8 | Very low | 35.2 | Very low | 165 Ų | 165 | 139.8 Ų | 139.8 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | | | trans | -74.1 | 92.2 | 170.4 | 40 | 169.5 | 0 | 0 | 0 | 110.6 | G5 V9 | G5-I7 PolarHBondContact O-N 2.7Å; G5-I7 VanDerWaalsContact O-N 3.08Å; I7-V9 PolarHBondContact O-N 3.21Å; I7-V9 VanDerWaalsContact O-N 3.17Å |
| 8 | H | 33.5 | Very low | 35.7 | Very low | 171 Ų | 171 | 137.5 Ų | 137.5 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | | | trans | -61.1 | 114.5 | 174.1 | -82.7 | -92 | 0 | 0 | 0 | 112.1 | D6 L10 | D6-H8 PolarHBondContact O-N 2.69Å; D6-H8 VanDerWaalsContact O-N 3.11Å; H8-L10 PolarHBondContact O-N 3.3Å |
| 9 | V | 40.4 | Very low | 36.3 | Very low | 146 Ų | 146 | 136.7 Ų | 136.7 | 89% | 0.885 | 80% | 0.802 | S | S | * | * | | | trans | -71 | 106.9 | 160.3 | 176.7 | 0 | 0 | 0 | 0 | 108.1 | I7 | I7-V9 PolarHBondContact O-N 3.21Å; I7-V9 VanDerWaalsContact O-N 3.17Å |
| 10 | L | 32.3 | Very low | 38.1 | Very low | 154 Ų | 154 | 139.7 Ų | 139.7 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | | | trans | -127.9 | 100.6 | 167.9 | -169.6 | 61.7 | 0 | 0 | 0 | 111.3 | H8 Q12 | H8-L10 PolarHBondContact O-N 3.3Å; L10-Q12 PolarHBondContact O-N 3.44Å |
| 11 | R | 37.2 | Very low | 39.9 | Very low | 186 Ų | 186 | 136 Ų | 136 | 70% | 0.702 | 78% | 0.775 | S | S | * | * | | | trans | -16.4 | 101.1 | 151.5 | 178.8 | -176 | 178.2 | -74.8 | -0.3 | 112.7 | D13 | R11-D13 IonicContact CZ-OD1 3.77Å; R11-D13 IonicContact NH1-OD1 2.69Å; R11-D13 PolarHBondContact NH1-OD1 3.49Å |
| 12 | Q | 33.4 | Very low | 42.1 | Very low | 189 Ų | 189 | 128.2 Ų | 128.2 | 88% | 0.883 | 74% | 0.742 | S | S | * | * | | | trans | -80 | 121.2 | 179.8 | -167.4 | 168.8 | 45 | 0 | 0 | 110.4 | L10 | L10-Q12 PolarHBondContact O-N 3.44Š|
| 13 | D | 30.8 | Very low | 43.9 | Very low | 112 Ų | 112 | 125.9 Ų | 125.9 | 60% | 0.599 | 73% | 0.73 | S | S | * | * | | | trans | -72.2 | 154.6 | -177.9 | -70.4 | -66.2 | 0 | 0 | 0 | 113 | R11 G15 | R11-D13 IonicContact CZ-OD1 3.77Å; R11-D13 IonicContact NH1-OD1 2.69Å; R11-D13 PolarHBondContact NH1-OD1 3.49Å; D13-G15 PolarHBondContact O-N 3.22Å |
| 14 | S | 37.8 | Very low | 46.2 | Very low | 137 Ų | 137 | 129.6 Ų | 129.6 | 96% | 0.958 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -75 | 54.7 | 178.8 | 58.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 15 | G | 41.2 | Very low | 48.8 | Very low | 60 Ų | 60 | 130.5 Ų | 130.5 | 62% | 0.619 | 70% | 0.699 | S | S | * | * | | | trans | -118.7 | 25 | -170 | 0 | 0 | 0 | 0 | 0 | 115.3 | D13 | D13-G15 PolarHBondContact O-N 3.22Š|
| 16 | Q | 31.4 | Very low | 51.6 | Low | 175 Ų | 175 | 132.6 Ų | 132.6 | 82% | 0.818 | 69% | 0.688 | S | S | * | * | | | trans | -119.4 | 93.4 | 172.1 | -80.7 | -71.4 | -78.1 | 0 | 0 | 110 | S18 | Q16-S18 VanDerWaalsContact C-N 3.3Å; Q16-S18 PolarHBondContact O-N 2.81Å |
| 17 | E | 35.3 | Very low | 53.8 | Low | 153 Ų | 153 | 129.4 Ų | 129.4 | 72% | 0.715 | 67% | 0.668 | S | S | * | * | | | trans | -70.6 | 89 | 169.6 | -172.9 | 171.4 | -173.6 | 0 | 0 | 109.6 | | |
| 18 | S | 43.6 | Very low | 55.9 | Low | 98 Ų | 98 | 125.1 Ų | 125.1 | 69% | 0.685 | 65% | 0.646 | S | S | * | * | | | trans | -54.6 | 132 | 163.5 | -71.5 | 0 | 0 | 0 | 0 | 108.9 | Q16 R20 | Q16-S18 VanDerWaalsContact C-N 3.3Å; Q16-S18 PolarHBondContact O-N 2.81Å; S18-R20 PolarHBondContact O-N 2.88Å |
| 19 | P | 48.3 | Very low | 58.4 | Low | 123 Ų | 123 | 121.8 Ų | 121.8 | 80% | 0.799 | 63% | 0.633 | S | S | * | * | | | trans | -47.3 | 111 | -171 | -32.3 | 35.8 | 0 | 0 | 0 | 112.4 | M21 | P19-M21 VanDerWaalsContact C-N 3.3Å; P19-M21 PolarHBondContact O-N 2.9Å |
| 20 | R | 71 | Confident | 60.6 | Low | 196 Ų | 196 | 121.4 Ų | 121.4 | 74% | 0.74 | 62% | 0.622 | S | S | * | * | | | trans | -65.2 | 86.4 | -166.8 | -174.4 | 174.2 | 179.7 | 161.4 | 0.1 | 110.5 | S18 R26 | S18-R20 PolarHBondContact O-N 2.88Å; R20-R26 VanDerWaalsContact CG-NH2 3.27Å |
| 21 | M | 77.7 | Confident | 63.1 | Low | 61 Ų | 61 | 121.2 Ų | 121.2 | 30% | 0.3 | 61% | 0.611 | S | S | . | * | | | trans | -33.3 | 134.2 | -171.2 | -76.2 | 169.5 | 45.3 | 0 | 0 | 113.8 | P19 K25 R26 L29 | P19-M21 VanDerWaalsContact C-N 3.3Å; P19-M21 PolarHBondContact O-N 2.9Å; M21-K25 HydrophobicContact CE-CB 4.13Å; M21-K25 HydrophobicContact CE-CD 4.17Å; M21-K25 HydrophobicContact CE-CG 3.94Å; M21-K25 WeakPolarHBondContact CE-O 2.96Å; M21-K25 HydrophobicContact CG-CD 4.33Å; M21-R26 HydrophobicContact CB-CG 4.36Å; M21-R26 HydrophobicContact CE-CG 4.27Å; M21-R26 PolarHBondContact O-NH1 3.48Å; M21-R26 PolarHBondContact O-NH2 2.89Å; M21-L29 HydrophobicContact CE-CD1 3.64Å |
| 22 | P | 80.9 | Confident | 65.1 | Low | 70 Ų | 70 | 121.2 Ų | 121.2 | 46% | 0.455 | 61% | 0.611 | S | S | . | * | | | trans | -51.7 | 147.6 | 173.8 | -29.2 | 36.6 | 0 | 0 | 0 | 112.3 | W24 K25 R26 | P22-W24 VanDerWaalsContact C-N 3.34Å; P22-W24 HydrophobicContact CB-CG 4.4Å; P22-W24 PolarHBondContact O-N 3.3Å; P22-K25 WeakPolarHBondContact O-CA 3.21Å; P22-K25 WeakPolarHBondContact O-CB 3.43Å; P22-K25 PolarHBondContact O-N 3.41Å; P22-R26 PolarHBondContact O-N 2.8Å |
| 23 | A | 75.8 | Confident | 67.3 | Low | 73 Ų | 73 | 120.6 Ų | 120.6 | 60% | 0.603 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -52.3 | -49.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | K25 R26 E27 | A23-K25 PolarHBondContact O-N 2.73Å; A23-K25 VanDerWaalsContact O-N 3.14Å; A23-R26 WeakPolarHBondContact O-CB 3.37Å; A23-R26 PolarHBondContact O-N 3.34Å; A23-E27 WeakPolarHBondContact O-CB 3.33Å; A23-E27 PolarHBondContact O-N 3.08Å |
| 24 | W | 82.6 | Confident | 69 | Low | 158 Ų | 158 | 119.5 Ų | 119.5 | 60% | 0.598 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -55.1 | -32.2 | 175.9 | 70.5 | -99.6 | 0 | 0 | 0 | 113.6 | P22 I28 | P22-W24 VanDerWaalsContact C-N 3.34Å; P22-W24 HydrophobicContact CB-CG 4.4Å; P22-W24 PolarHBondContact O-N 3.3Å; W24-I28 HydrophobicContact CE3-CD1 3.71Å; W24-I28 HydrophobicContact CZ3-CD1 3.94Å; W24-I28 WeakPolarHBondContact O-CB 3.43Å; W24-I28 WeakPolarHBondContact O-CG1 3.29Å; W24-I28 PolarHBondContact O-N 2.78Å |
| 25 | K | 88.9 | Confident | 70.5 | Confident | 102 Ų | 102 | 122.4 Ų | 122.4 | 44% | 0.443 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -78.7 | -28 | 179.5 | -157.6 | -171.9 | 176 | 179.8 | 0 | 111.9 | M21 P22 A23 L29 | M21-K25 HydrophobicContact CE-CB 4.13Å; M21-K25 HydrophobicContact CE-CD 4.17Å; M21-K25 HydrophobicContact CE-CG 3.94Å; M21-K25 WeakPolarHBondContact CE-O 2.96Å; M21-K25 HydrophobicContact CG-CD 4.33Å; P22-K25 WeakPolarHBondContact O-CA 3.21Å; P22-K25 WeakPolarHBondContact O-CB 3.43Å; P22-K25 PolarHBondContact O-N 3.41Å; A23-K25 PolarHBondContact O-N 2.73Å; A23-K25 VanDerWaalsContact O-N 3.14Å; K25-L29 PolarHBondContact O-N 2.98Å |
| 26 | R | 89.9 | Confident | 71.1 | Confident | 108 Ų | 108 | 121.8 Ų | 121.8 | 41% | 0.408 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -68.1 | -50.8 | 165.3 | -68.9 | -167.4 | -173.5 | 70.5 | 24.6 | 110.2 | R20 M21 P22 A23 I28 L29 E30 | R20-R26 VanDerWaalsContact CG-NH2 3.27Å; M21-R26 HydrophobicContact CB-CG 4.36Å; M21-R26 HydrophobicContact CE-CG 4.27Å; M21-R26 PolarHBondContact O-NH1 3.48Å; M21-R26 PolarHBondContact O-NH2 2.89Å; P22-R26 PolarHBondContact O-N 2.8Å; A23-R26 WeakPolarHBondContact O-CB 3.37Å; A23-R26 PolarHBondContact O-N 3.34Å; R26-I28 VanDerWaalsContact C-N 3.29Å; R26-I28 PolarHBondContact O-N 2.99Å; R26-L29 CarbonylContact O-C 3.48Å; R26-L29 WeakPolarHBondContact O-CA 3.34Å; R26-L29 WeakPolarHBondContact O-CB 3.23Å; R26-L29 PolarHBondContact O-N 2.87Å; R26-E30 WeakPolarHBondContact O-CB 3.47Å; R26-E30 PolarHBondContact O-N 3Å |
| 27 | E | 80.8 | Confident | 72 | Confident | 80 Ų | 80 | 117.1 Ų | 117.1 | 37% | 0.374 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -57 | -39.1 | -177.5 | -163.5 | -169.6 | 158.9 | 0 | 0 | 112.3 | A23 R31 | A23-E27 WeakPolarHBondContact O-CB 3.33Å; A23-E27 PolarHBondContact O-N 3.08Å; E27-R31 VanDerWaalsContact CD-NH1 3.28Å; E27-R31 WeakPolarHBondContact O-CB 3.29Å; E27-R31 VanDerWaalsContact O-CG 3.31Å; E27-R31 WeakPolarHBondContact O-CG 3.44Å; E27-R31 PolarHBondContact O-N 2.81Å; E27-R31 IonicContact OE1-CZ 3.14Å; E27-R31 IonicContact OE1-NH1 2.77Å; E27-R31 PolarHBondContact OE1-NH1 3.43Å; E27-R31 IonicContact OE1-NH2 3.11Å; E27-R31 PolarHBondContact OE1-NH2 3.38Å |
| 28 | I | 81.8 | Confident | 72.1 | Confident | 76 Ų | 76 | 116.5 Ų | 116.5 | 39% | 0.39 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -67.5 | -40.8 | 171.7 | -73.2 | 178 | 0 | 0 | 0 | 112.2 | W24 R26 R32 | W24-I28 HydrophobicContact CE3-CD1 3.71Å; W24-I28 HydrophobicContact CZ3-CD1 3.94Å; W24-I28 WeakPolarHBondContact O-CB 3.43Å; W24-I28 WeakPolarHBondContact O-CG1 3.29Å; W24-I28 PolarHBondContact O-N 2.78Å; R26-I28 VanDerWaalsContact C-N 3.29Å; R26-I28 PolarHBondContact O-N 2.99Å; I28-R32 HydrophobicContact CG2-CG 4.47Å; I28-R32 WeakPolarHBondContact O-CB 3.32Å; I28-R32 WeakPolarHBondContact O-CG 3.23Å; I28-R32 PolarHBondContact O-N 3.17Å |
| 29 | L | 85.4 | Confident | 72.1 | Confident | 100 Ų | 100 | 117.6 Ų | 117.6 | 52% | 0.524 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -70.1 | -35.1 | 178.3 | -109.5 | 156.6 | 0 | 0 | 0 | 112.1 | M21 K25 R26 R32 K33 | M21-L29 HydrophobicContact CE-CD1 3.64Å; K25-L29 PolarHBondContact O-N 2.98Å; R26-L29 CarbonylContact O-C 3.48Å; R26-L29 WeakPolarHBondContact O-CA 3.34Å; R26-L29 WeakPolarHBondContact O-CB 3.23Å; R26-L29 PolarHBondContact O-N 2.87Å; L29-R32 PolarHBondContact O-N 3.42Å; L29-K33 WeakPolarHBondContact O-CB 3.33Å; L29-K33 PolarHBondContact O-N 3.01Å |
| 30 | E | 86.5 | Confident | 71.4 | Confident | 138 Ų | 138 | 116.8 Ų | 116.8 | 65% | 0.645 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -66.4 | -48.2 | 172.4 | -176.7 | 166.2 | -140.7 | 0 | 0 | 111.2 | R26 R32 K33 A34 | R26-E30 WeakPolarHBondContact O-CB 3.47Å; R26-E30 PolarHBondContact O-N 3Å; E30-R32 VanDerWaalsContact C-N 3.3Å; E30-R32 PolarHBondContact O-N 2.93Å; E30-K33 PolarHBondContact O-N 3.27Å; E30-K33 VanDerWaalsContact O-N 3.08Å; E30-A34 WeakPolarHBondContact O-CB 3.39Å; E30-A34 PolarHBondContact O-N 3.1Å |
| 31 | R | 84.6 | Confident | 69.5 | Low | 150 Ų | 150 | 110.7 Ų | 110.7 | 57% | 0.566 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -58.8 | -38.3 | 170.7 | -76.8 | -178.6 | -179.9 | 119.3 | 13.2 | 112.5 | E27 K35 | E27-R31 VanDerWaalsContact CD-NH1 3.28Å; E27-R31 WeakPolarHBondContact O-CB 3.29Å; E27-R31 VanDerWaalsContact O-CG 3.31Å; E27-R31 WeakPolarHBondContact O-CG 3.44Å; E27-R31 PolarHBondContact O-N 2.81Å; E27-R31 IonicContact OE1-CZ 3.14Å; E27-R31 IonicContact OE1-NH1 2.77Å; E27-R31 PolarHBondContact OE1-NH1 3.43Å; E27-R31 IonicContact OE1-NH2 3.11Å; E27-R31 PolarHBondContact OE1-NH2 3.38Å; R31-K35 WeakPolarHBondContact O-CB 3.46Å; R31-K35 PolarHBondContact O-N 2.95Å |
| 32 | R | 79.6 | Confident | 67.3 | Low | 186 Ų | 186 | 116 Ų | 116 | 70% | 0.702 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -71.1 | -29.2 | 175.2 | -73 | 173.3 | 91.4 | 133.9 | 3.9 | 112.7 | I28 L29 E30 G36 | I28-R32 HydrophobicContact CG2-CG 4.47Å; I28-R32 WeakPolarHBondContact O-CB 3.32Å; I28-R32 WeakPolarHBondContact O-CG 3.23Å; I28-R32 PolarHBondContact O-N 3.17Å; L29-R32 PolarHBondContact O-N 3.42Å; E30-R32 VanDerWaalsContact C-N 3.3Å; E30-R32 PolarHBondContact O-N 2.93Å; R32-G36 VanDerWaalsContact O-CA 3.3Å; R32-G36 WeakPolarHBondContact O-CA 3.19Å; R32-G36 PolarHBondContact O-N 3.46Å |
| 33 | K | 78.5 | Confident | 65.2 | Low | 176 Ų | 176 | 118.3 Ų | 118.3 | 77% | 0.765 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -76.1 | -40.6 | 173.9 | -167 | 166.8 | -176.1 | 175 | 0 | 111.8 | L29 E30 G36 | L29-K33 WeakPolarHBondContact O-CB 3.33Å; L29-K33 PolarHBondContact O-N 3.01Å; E30-K33 PolarHBondContact O-N 3.27Å; E30-K33 VanDerWaalsContact O-N 3.08Å; K33-G36 PolarHBondContact O-N 2.78Å |
| 34 | A | 68.4 | Low | 62.9 | Low | 89 Ų | 89 | 119.3 Ų | 119.3 | 74% | 0.736 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -66.3 | -36.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E30 G36 | E30-A34 WeakPolarHBondContact O-CB 3.39Å; E30-A34 PolarHBondContact O-N 3.1Å; A34-G36 VanDerWaalsContact C-N 3.32Å |
| 35 | K | 68.7 | Low | 61 | Low | 199 Ų | 199 | 117.9 Ų | 117.9 | 87% | 0.865 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | 4.4 | 175.1 | -161.9 | 163 | -177.6 | 171.7 | 0 | 113.6 | R31 | R31-K35 WeakPolarHBondContact O-CB 3.46Å; R31-K35 PolarHBondContact O-N 2.95Å |
| 36 | G | 54 | Low | 58.1 | Low | 46 Ų | 46 | 121.7 Ų | 121.7 | 47% | 0.474 | 70% | 0.699 | S | S | . | * | | | trans | -123.7 | 35.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | R32 K33 A34 V38 | R32-G36 VanDerWaalsContact O-CA 3.3Å; R32-G36 WeakPolarHBondContact O-CA 3.19Å; R32-G36 PolarHBondContact O-N 3.46Å; K33-G36 PolarHBondContact O-N 2.78Å; A34-G36 VanDerWaalsContact C-N 3.32Å; G36-V38 PolarHBondContact O-N 2.82Å |
| 37 | G | 48.8 | Very low | 55.2 | Low | 77 Ų | 77 | 123.6 Ų | 123.6 | 79% | 0.794 | 72% | 0.722 | S | S | * | * | | | trans | -74 | 56.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 38 | V | 39.1 | Very low | 52.7 | Low | 141 Ų | 141 | 125 Ų | 125 | 86% | 0.855 | 74% | 0.741 | S | S | * | * | | | trans | -122.2 | 126 | 166.9 | -178.9 | 0 | 0 | 0 | 0 | 108.2 | G36 | G36-V38 PolarHBondContact O-N 2.82Š|
| 39 | S | 42 | Very low | 50.7 | Low | 121 Ų | 121 | 127.4 Ų | 127.4 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | | | trans | -93.2 | 124.8 | -163.7 | -173.9 | 0 | 0 | 0 | 0 | 113.8 | | |
| 40 | A | 33.7 | Very low | 47.9 | Very low | 105 Ų | 105 | 126.6 Ų | 126.6 | 87% | 0.868 | 78% | 0.777 | S | S | * | * | | | trans | -165.1 | 132.2 | 148.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 41 | G | 31.4 | Very low | 44.9 | Very low | 69 Ų | 69 | 123.8 Ų | 123.8 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | | | cis | -175.4 | 146.2 | -11.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 42 | N | 31.4 | Very low | 42.2 | Very low | 172 Ų | 172 | 121.3 Ų | 121.3 | 92% | 0.92 | 80% | 0.797 | S | S | * | * | | | trans | -76.9 | 137.3 | 178.3 | -98.3 | -17.1 | 0 | 0 | 0 | 111 | | |
| 43 | P | 36.7 | Very low | 39.7 | Very low | 118 Ų | 118 | 117.6 Ų | 117.6 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | | | trans | -92 | 125.7 | 176.5 | 33.8 | -31.5 | 0 | 0 | 0 | 112.4 | | |
| 44 | A | 27.3 | Very low | 37.2 | Very low | 94 Ų | 94 | 112.5 Ų | 112.5 | 78% | 0.777 | 80% | 0.803 | S | S | * | * | | | trans | 164.1 | 156.3 | 150.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 45 | P | 42.7 | Very low | 35.5 | Very low | 128 Ų | 128 | 113.6 Ų | 113.6 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | | | cis | -121.6 | -168 | -24.1 | 36.9 | -20.1 | 0 | 0 | 0 | 112.1 | | |
| 46 | E | 28.2 | Very low | 33.6 | Very low | 183 Ų | 183 | 111.6 Ų | 111.6 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | | | trans | -66.8 | 153.1 | -164.8 | -48.5 | -175.6 | 133.4 | 0 | 0 | 116.6 | | |
| 47 | T | 29.7 | Very low | 32.5 | Very low | 147 Ų | 147 | 116.9 Ų | 116.9 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | | | | -152.3 | 127.3 | 126.4 | -5.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 48 | S | 28 | Very low | 31.9 | Very low | 111 Ų | 111 | 118.5 Ų | 118.5 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | | | trans | -85.7 | 171.9 | 165.8 | -85 | 0 | 0 | 0 | 0 | 110.3 | | |
| 49 | P | 41.1 | Very low | 31.5 | Very low | 126 Ų | 126 | 119.3 Ų | 119.3 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | cis | -138.1 | 166.6 | 13.2 | 40.7 | -23.3 | 0 | 0 | 0 | 118 | | |
| 50 | G | 24.7 | Very low | 30.9 | Very low | 82 Ų | 82 | 117.3 Ų | 117.3 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | | | | 102.4 | 142.6 | 129.3 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 51 | G | 24.6 | Very low | 30.8 | Very low | 79 Ų | 79 | 119.8 Ų | 119.8 | 81% | 0.814 | 80% | 0.802 | S | S | * | * | | | trans | 116.5 | 86.3 | 140.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 52 | A | 26.8 | Very low | 31 | Very low | 98 Ų | 98 | 121.7 Ų | 121.7 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | | | trans | 48.7 | 117.7 | 132.2 | 0 | 0 | 0 | 0 | 0 | 123.8 | | |
| 53 | A | 27.9 | Very low | 31.1 | Very low | 109 Ų | 109 | 120.4 Ų | 120.4 | 90% | 0.901 | 80% | 0.798 | S | S | * | * | | | | 67.7 | 154.1 | 119.3 | 0 | 0 | 0 | 0 | 0 | 123.7 | | |
| 54 | G | 26.9 | Very low | 30.7 | Very low | 68 Ų | 68 | 118.7 Ų | 118.7 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | | | trans | 99.6 | 122.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 55 | S | 31.7 | Very low | 30.7 | Very low | 112 Ų | 112 | 121.7 Ų | 121.7 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | | | cis | 94.6 | 151.6 | 19.4 | 91.8 | 0 | 0 | 0 | 0 | 116.7 | | |
| 56 | H | 30.1 | Very low | 30.1 | Very low | 158 Ų | 158 | 121.1 Ų | 121.1 | 73% | 0.731 | 80% | 0.799 | S | S | * | * | | | trans | 76.9 | 128.3 | -174.5 | -74.5 | -108.2 | 0 | 0 | 0 | 116.6 | | |
| 57 | H | 30.5 | Very low | 30.1 | Very low | 156 Ų | 156 | 120.2 Ų | 120.2 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | | | | 78.5 | 140 | 52.1 | -69.6 | -63.8 | 0 | 0 | 0 | 111.8 | | |
| 58 | V | 35.3 | Very low | 30.1 | Very low | 111 Ų | 111 | 116.2 Ų | 116.2 | 67% | 0.673 | 79% | 0.788 | S | S | * | * | | | cis | -161.5 | 165.5 | 8.8 | -110.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 59 | N | 31.2 | Very low | 30 | Very low | 159 Ų | 159 | 119.2 Ų | 119.2 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | | | trans | 25.8 | 149 | 143 | -55.4 | -0.2 | 0 | 0 | 0 | 123.4 | | |
| 60 | G | 28.6 | Very low | 29.4 | Very low | 79 Ų | 79 | 116.7 Ų | 116.7 | 81% | 0.814 | 79% | 0.792 | S | S | * | * | | | trans | 175.8 | 120.8 | 151 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 61 | D | 31.9 | Very low | 29.4 | Very low | 156 Ų | 156 | 117 Ų | 117 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | | | trans | -145.5 | 165 | -171.9 | -152.9 | -16.7 | 0 | 0 | 0 | 112.4 | | |
| 62 | V | 35.4 | Very low | 29.5 | Very low | 109 Ų | 109 | 116.7 Ų | 116.7 | 66% | 0.661 | 79% | 0.792 | S | S | * | * | | | trans | 79.9 | 139.4 | 158.2 | 172.6 | 0 | 0 | 0 | 0 | 121.3 | | |
| 63 | T | 33.6 | Very low | 29.7 | Very low | 145 Ų | 145 | 118.3 Ų | 118.3 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | | | trans | 75.8 | 135.6 | 162.1 | 42.4 | 0 | 0 | 0 | 0 | 122.6 | | |
| 64 | G | 27.8 | Very low | 29.8 | Very low | 83 Ų | 83 | 117 Ų | 117 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | | | trans | 152.4 | 87.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 65 | N | 28.6 | Very low | 30.1 | Very low | 157 Ų | 157 | 124.2 Ų | 124.2 | 84% | 0.84 | 79% | 0.793 | S | S | * | * | | | trans | -110.1 | 161.6 | -175.4 | -163.4 | 16.1 | 0 | 0 | 0 | 112.9 | | |
| 66 | V | 29.4 | Very low | 30.1 | Very low | 116 Ų | 116 | 128 Ų | 128 | 70% | 0.703 | 79% | 0.79 | S | S | * | * | | | trans | 66.8 | 108.9 | 170 | 179.9 | 0 | 0 | 0 | 0 | 116.5 | | |
| 67 | N | 29.2 | Very low | 30.1 | Very low | 164 Ų | 164 | 126.6 Ų | 126.6 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | | | | -156.7 | 165.2 | 101.7 | -137.7 | -4.8 | 0 | 0 | 0 | 111.1 | | |
| 68 | G | 28.4 | Very low | 30 | Very low | 63 Ų | 63 | 123.3 Ų | 123.3 | 65% | 0.649 | 80% | 0.796 | S | S | * | * | | | trans | -161.1 | 175.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 69 | N | 26.9 | Very low | 29.7 | Very low | 174 Ų | 174 | 121.7 Ų | 121.7 | 93% | 0.93 | 80% | 0.801 | S | S | * | * | | | trans | 76.4 | 125.7 | 166.8 | -167.1 | 48 | 0 | 0 | 0 | 119.8 | | |
| 70 | G | 27.1 | Very low | 30 | Very low | 72 Ų | 72 | 119.2 Ų | 119.2 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | | | trans | 112.6 | 116.5 | 143.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 71 | G | 26 | Very low | 30.3 | Very low | 89 Ų | 89 | 120.4 Ų | 120.4 | 92% | 0.918 | 80% | 0.799 | S | S | * | * | | | trans | 153.3 | 103.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 72 | G | 27.3 | Very low | 30.2 | Very low | 73 Ų | 73 | 114.9 Ų | 114.9 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | | | trans | -108.9 | 178.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 73 | S | 29.5 | Very low | 30.2 | Very low | 131 Ų | 131 | 116 Ų | 116 | 92% | 0.916 | 79% | 0.786 | S | S | * | * | | | trans | 68.4 | 134.1 | 172.8 | -53.4 | 0 | 0 | 0 | 0 | 115.7 | | |
| 74 | A | 31.4 | Very low | 30.3 | Very low | 82 Ų | 82 | 113.7 Ų | 113.7 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | | | cis | -173.2 | 157.5 | 31 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 75 | R | 31.5 | Very low | 30.5 | Very low | 220 Ų | 220 | 113 Ų | 113 | 83% | 0.83 | 77% | 0.769 | S | S | * | * | | | trans | 76.4 | 128 | 142.1 | -73.2 | 174.5 | -174.6 | -76.2 | 1.2 | 123.4 | | |
| 76 | R | 32.6 | Very low | 30.9 | Very low | 192 Ų | 192 | 116.5 Ų | 116.5 | 73% | 0.725 | 77% | 0.771 | S | S | * | * | | | trans | 93 | 112.4 | 136.6 | -78.6 | -168.3 | 177.8 | -78.8 | 6.6 | 122.3 | | |
| 77 | D | 29.7 | Very low | 31.1 | Very low | 128 Ų | 128 | 119 Ų | 119 | 68% | 0.684 | 78% | 0.78 | S | S | * | * | | | | 77.4 | 119.4 | 123.3 | -49.4 | -15.2 | 0 | 0 | 0 | 122.9 | | |
| 78 | G | 27.7 | Very low | 31.3 | Very low | 87 Ų | 87 | 121 Ų | 121 | 90% | 0.897 | 78% | 0.777 | S | S | * | * | | | trans | 103.6 | 137.4 | 157.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 79 | G | 30.7 | Very low | 31.7 | Very low | 76 Ų | 76 | 124 Ų | 124 | 78% | 0.784 | 78% | 0.782 | S | S | * | * | | | cis | 159.6 | 87.4 | -16.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 80 | A | 37.1 | Very low | 32.1 | Very low | 107 Ų | 107 | 122.9 Ų | 122.9 | 88% | 0.884 | 78% | 0.775 | S | S | * | * | | | trans | 62.7 | 170.8 | 162.8 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 81 | S | 35.5 | Very low | 32.5 | Very low | 104 Ų | 104 | 125.2 Ų | 125.2 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | | | cis | -155.9 | 131.8 | -6.1 | -168.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 82 | G | 28.7 | Very low | 33 | Very low | 41 Ų | 41 | 127.3 Ų | 127.3 | 42% | 0.423 | 77% | 0.77 | S | S | . | * | | | trans | -88.4 | 156.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | E731 | G82-E731 WeakPolarHBondContact CA-OE1 3.46Š|
| 83 | V | 35.7 | Very low | 33.3 | Very low | 131 Ų | 131 | 128.4 Ų | 128.4 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | | | trans | -136.2 | 135.7 | 179.6 | 173.6 | 0 | 0 | 0 | 0 | 112 | | |
| 84 | S | 34.8 | Very low | 33.7 | Very low | 97 Ų | 97 | 127.1 Ų | 127.1 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | | | trans | -73.1 | 122.9 | -174.7 | 168 | 0 | 0 | 0 | 0 | 114.1 | | |
| 85 | G | 31.7 | Very low | 34 | Very low | 70 Ų | 70 | 130.6 Ų | 130.6 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | | | trans | -75 | 140.1 | 156.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 86 | R | 38.5 | Very low | 34.1 | Very low | 230 Ų | 230 | 128.5 Ų | 128.5 | 87% | 0.868 | 76% | 0.764 | S | S | * | * | | | trans | -107 | 118 | -179.8 | -63.8 | 179.2 | -177.4 | 172.5 | 1 | 110.9 | | |
| 87 | N | 33.3 | Very low | 34.3 | Very low | 167 Ų | 167 | 128.4 Ų | 128.4 | 89% | 0.893 | 77% | 0.77 | S | S | * | * | | | trans | -85.8 | 142.5 | 168.9 | -66.1 | -42.7 | 0 | 0 | 0 | 110.4 | | |
| 88 | Y | 33.3 | Very low | 34.6 | Very low | 208 Ų | 208 | 127.1 Ų | 127.1 | 82% | 0.816 | 78% | 0.777 | S | S | * | * | | | trans | -113.4 | 137 | 167.1 | 55 | -96 | 0 | 0 | 0 | 110.2 | | |
| 89 | T | 36.1 | Very low | 34.9 | Very low | 124 Ų | 124 | 130.7 Ų | 130.7 | 76% | 0.761 | 78% | 0.775 | S | S | * | * | | | trans | -105.7 | 130.7 | -174.8 | -53.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 90 | I | 36.3 | Very low | 35.2 | Very low | 152 Ų | 152 | 135 Ų | 135 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | | | trans | -85.9 | 113.3 | 174 | -60 | 175.3 | 0 | 0 | 0 | 108.6 | | |
| 91 | T | 35 | Very low | 35.4 | Very low | 120 Ų | 120 | 138.8 Ų | 138.8 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | | | trans | -99.9 | 121.6 | 178.5 | -57.1 | 0 | 0 | 0 | 0 | 110.7 | A93 | T91-A93 PolarHBondContact O-N 3.17Š|
| 92 | T | 36.2 | Very low | 35.6 | Very low | 134 Ų | 134 | 142 Ų | 142 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | | | trans | -83.1 | 108.5 | 172 | 39.2 | 0 | 0 | 0 | 0 | 110.7 | S94 | T92-S94 PolarHBondContact O-N 2.84Š|
| 93 | A | 34.7 | Very low | 37 | Very low | 95 Ų | 95 | 145 Ų | 145 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | | | trans | -79.7 | 114.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | T91 | T91-A93 PolarHBondContact O-N 3.17Š|
| 94 | S | 36.6 | Very low | 36.7 | Very low | 105 Ų | 105 | 150.7 Ų | 150.7 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | | | trans | -78 | 140.4 | 166.5 | -167.8 | 0 | 0 | 0 | 0 | 110.4 | T92 | T92-S94 PolarHBondContact O-N 2.84Š|
| 95 | Q | 38.3 | Very low | 36.4 | Very low | 155 Ų | 155 | 150.4 Ų | 150.4 | 72% | 0.724 | 80% | 0.803 | S | S | * | * | | | trans | -82.4 | 123.3 | -176.3 | -63.6 | 179.3 | 26.6 | 0 | 0 | 111.7 | F97 | Q95-F97 HydrophobicContact CB-CE2 4.5Š|
| 96 | H | 34.1 | Very low | 36.4 | Very low | 176 Ų | 176 | 151.6 Ų | 151.6 | 82% | 0.815 | 81% | 0.806 | S | S | * | * | | | trans | -121.8 | 120.9 | 161.9 | -74.5 | -83.7 | 0 | 0 | 0 | 109.6 | | |
| 97 | F | 36.5 | Very low | 35.9 | Very low | 190 Ų | 190 | 145.8 Ų | 145.8 | 83% | 0.833 | 81% | 0.807 | S | S | * | * | | | trans | -91.3 | 120.9 | 174.8 | -74.9 | -90.5 | 0 | 0 | 0 | 110.7 | Q95 | Q95-F97 HydrophobicContact CB-CE2 4.5Š|
| 98 | A | 36.3 | Very low | 35.9 | Very low | 101 Ų | 101 | 142.5 Ų | 142.5 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | | | trans | -148.7 | 128.1 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 99 | N | 34.6 | Very low | 36 | Very low | 161 Ų | 161 | 141 Ų | 141 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | | | trans | -87.5 | 144 | 177.6 | -76.7 | -56.1 | 0 | 0 | 0 | 111 | | |
| 100 | N | 35.6 | Very low | 35.9 | Very low | 168 Ų | 168 | 146.6 Ų | 146.6 | 90% | 0.898 | 81% | 0.811 | S | S | * | * | | | trans | -162 | 161.1 | 135.4 | -108.8 | -39.2 | 0 | 0 | 0 | 114.5 | | |
| 101 | K | 42 | Very low | 35.8 | Very low | 186 Ų | 186 | 144.9 Ų | 144.9 | 81% | 0.809 | 81% | 0.808 | S | S | * | * | | | trans | -84.9 | 165.8 | 175.5 | -77.6 | 175.6 | -178.4 | 178.4 | 0 | 110.7 | | |
| 102 | E | 39 | Very low | 35.9 | Very low | 172 Ų | 172 | 143.9 Ų | 143.9 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | | | cis | -152.7 | -174.7 | 3.4 | -125.2 | -165.7 | 93 | 0 | 0 | 108.7 | | |
| 103 | P | 59.1 | Low | 36 | Very low | 104 Ų | 104 | 142.7 Ų | 142.7 | 68% | 0.675 | 81% | 0.806 | S | S | * | * | | | trans | -102.6 | 158.2 | -158.3 | 39.5 | -39.8 | 0 | 0 | 0 | 118.1 | | |
| 104 | R | 27.9 | Very low | 36.6 | Very low | 249 Ų | 249 | 149.3 Ų | 149.3 | 94% | 0.94 | 81% | 0.811 | S | S | * | * | | | trans | -154.5 | 159.4 | 141.7 | -145.7 | 167.8 | 178.5 | 88.9 | -0.3 | 112.5 | | |
| 105 | A | 30.1 | Very low | 36.9 | Very low | 91 Ų | 91 | 152.8 Ų | 152.8 | 75% | 0.752 | 82% | 0.815 | S | S | * | * | | | trans | -104 | 160 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 106 | A | 30.3 | Very low | 37.5 | Very low | 96 Ų | 96 | 150.4 Ų | 150.4 | 79% | 0.793 | 82% | 0.816 | S | S | * | * | | | | 165.6 | 144.3 | 111.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 107 | A | 28.5 | Very low | 38.3 | Very low | 107 Ų | 107 | 148.6 Ų | 148.6 | 88% | 0.884 | 81% | 0.812 | S | S | * | * | | | trans | 60.5 | 149.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 108 | A | 32.7 | Very low | 38.9 | Very low | 99 Ų | 99 | 146 Ų | 146 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | | | cis | -144.5 | 167.5 | 13.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 109 | E | 36.6 | Very low | 39.6 | Very low | 176 Ų | 176 | 149.4 Ų | 149.4 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | | | trans | -77.3 | 155.1 | 175.9 | -62.3 | 176.6 | 83.8 | 0 | 0 | 114.1 | | |
| 110 | R | 33 | Very low | 40.3 | Very low | 241 Ų | 241 | 149.2 Ų | 149.2 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | | | | -167.4 | 102.1 | 127.3 | -105.9 | 166.2 | -170.3 | -151.2 | 0.7 | 114.2 | | |
| 111 | T | 35.6 | Very low | 41.3 | Very low | 117 Ų | 117 | 149.4 Ų | 149.4 | 72% | 0.718 | 80% | 0.804 | S | S | * | * | | | trans | 24.9 | 113.3 | 141.1 | 56 | 0 | 0 | 0 | 0 | 121.6 | | |
| 112 | A | 37 | Very low | 41.9 | Very low | 98 Ų | 98 | 145.9 Ų | 145.9 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | | | trans | 62.4 | 153.8 | 132.4 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 113 | P | 37.8 | Very low | 42.7 | Very low | 109 Ų | 109 | 146 Ų | 146 | 71% | 0.708 | 81% | 0.808 | S | S | * | * | | | cis | -118.2 | -171 | 18 | 42 | -29.5 | 0 | 0 | 0 | 116.1 | | |
| 114 | R | 46.9 | Very low | 42.9 | Very low | 234 Ų | 234 | 143.1 Ų | 143.1 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | | | trans | -104.9 | 65.8 | -165 | -69.6 | 175.6 | 153.5 | -162.7 | -4.3 | 114.3 | | |
| 115 | E | 43.8 | Very low | 45.2 | Very low | 178 Ų | 178 | 135 Ų | 135 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | | | trans | -130.3 | 38.4 | -173.1 | -68.2 | 178.9 | -114.1 | 0 | 0 | 114.5 | | |
| 116 | S | 49.8 | Very low | 46.9 | Very low | 105 Ų | 105 | 136.6 Ų | 136.6 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | | | trans | -155.9 | 67.2 | 170.2 | -149.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 117 | L | 50.7 | Low | 48.6 | Very low | 138 Ų | 138 | 137 Ų | 137 | 72% | 0.723 | 76% | 0.758 | S | S | * | * | | | trans | -132.2 | 18.4 | -176.8 | -73 | 174.4 | 0 | 0 | 0 | 114.2 | | |
| 118 | V | 50.4 | Low | 50.9 | Low | 136 Ų | 136 | 137.4 Ų | 137.4 | 82% | 0.824 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -113.4 | -13.5 | -175.7 | -159.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 119 | L | 50.5 | Low | 53.4 | Low | 173 Ų | 173 | 136 Ų | 136 | 91% | 0.906 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -125.5 | 9.1 | 177.3 | -68.5 | 176.1 | 0 | 0 | 0 | 113.7 | E121 | L119-E121 PolarHBondContact O-N 2.98Š|
| 120 | Q | 49.8 | Very low | 55.8 | Low | 156 Ų | 156 | 132 Ų | 132 | 73% | 0.729 | 71% | 0.709 | S | S | * | * | | | trans | -91.4 | 41.8 | 162.9 | -157.9 | 175.6 | 10.1 | 0 | 0 | 110.1 | S122 | Q120-S122 PolarHBondContact O-N 2.95Š|
| 121 | E | 55 | Low | 58.4 | Low | 172 Ų | 172 | 127.5 Ų | 127.5 | 80% | 0.804 | 70% | 0.696 | S | S | * | * | | | trans | -62.6 | 121.1 | 163.1 | -177.5 | 172.9 | -162.6 | 0 | 0 | 107.2 | L119 L123 | L119-E121 PolarHBondContact O-N 2.98Å; E121-L123 VanDerWaalsContact C-N 3.33Å; E121-L123 PolarHBondContact O-N 2.81Å |
| 122 | S | 55 | Low | 60.8 | Low | 113 Ų | 113 | 124.5 Ų | 124.5 | 79% | 0.79 | 68% | 0.676 | S | S | * | * | | | trans | -69.4 | 88.6 | -171.5 | -62.9 | 0 | 0 | 0 | 0 | 111.2 | Q120 G124 | Q120-S122 PolarHBondContact O-N 2.95Å; S122-G124 VanDerWaalsContact C-N 3.26Å; S122-G124 PolarHBondContact O-N 3.45Å |
| 123 | L | 56.5 | Low | 63.2 | Low | 173 Ų | 173 | 125.2 Ų | 125.2 | 91% | 0.906 | 66% | 0.66 | S | S | * | * | | | trans | -55.3 | 98.5 | 153.7 | -66.6 | -179.7 | 0 | 0 | 0 | 107.2 | E121 | E121-L123 VanDerWaalsContact C-N 3.33Å; E121-L123 PolarHBondContact O-N 2.81Å |
| 124 | G | 64 | Low | 65.6 | Low | 44 Ų | 44 | 126 Ų | 126 | 45% | 0.454 | 66% | 0.658 | S | S | . | * | | | trans | -56.2 | 167 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | S122 L126 | S122-G124 VanDerWaalsContact C-N 3.26Å; S122-G124 PolarHBondContact O-N 3.45Å; G124-L126 PolarHBondContact O-N 3.46Å; G124-L126 VanDerWaalsContact O-N 3.16Å |
| 125 | P | 74.8 | Confident | 67.6 | Low | 80 Ų | 80 | 117.2 Ų | 117.2 | 52% | 0.519 | 63% | 0.627 | S | S | . | * | | | trans | -45.8 | 128 | -178.2 | -26.4 | 33.8 | 0 | 0 | 0 | 110.3 | E127 E128 | P125-E127 PolarHBondContact O-N 2.98Å; P125-E128 HydrophobicContact CB-CG 4.21Å; P125-E128 HydrophobicContact CG-CG 4.46Å; P125-E128 WeakPolarHBondContact O-CA 3.4Å; P125-E128 VanDerWaalsContact O-CB 3.29Å; P125-E128 WeakPolarHBondContact O-CB 3.29Å; P125-E128 PolarHBondContact O-N 3.39Å |
| 126 | L | 65.3 | Low | 69.8 | Low | 124 Ų | 124 | 114.5 Ų | 114.5 | 65% | 0.649 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -58.7 | -29.2 | -169.8 | -176.9 | 59.7 | 0 | 0 | 0 | 112.4 | G124 E128 N129 I132 | G124-L126 PolarHBondContact O-N 3.46Å; G124-L126 VanDerWaalsContact O-N 3.16Å; L126-E128 PolarHBondContact O-N 2.92Å; L126-N129 WeakPolarHBondContact O-CB 3.4Å; L126-N129 PolarHBondContact O-N 3.16Å; L126-I132 HydrophobicContact CD1-CG1 4.07Å; L126-I132 HydrophobicContact CG-CG1 4.22Å; L126-I132 WeakPolarHBondContact O-CB 3.4Å |
| 127 | E | 67.2 | Low | 71.7 | Confident | 104 Ų | 104 | 112.4 Ų | 112.4 | 49% | 0.486 | 59% | 0.591 | S | S | . | * | G | 310 helix | trans | -53.2 | -24.5 | 168.3 | -147.8 | 73.3 | -138.7 | 0 | 0 | 114.6 | P125 K133 K136 | P125-E127 PolarHBondContact O-N 2.98Å; E127-K133 WeakPolarHBondContact O-CE 3.26Å; E127-K133 VanDerWaalsContact O-CG 3.3Å; E127-K133 WeakPolarHBondContact O-CG 3.09Å; E127-K136 WeakPolarHBondContact OE1-CD 3.41Å; E127-K136 IonicContact OE1-NZ 2.9Å; E127-K136 PolarHBondContact OE1-NZ 3.35Å |
| 128 | E | 76.1 | Confident | 73.5 | Confident | 115 Ų | 115 | 111 Ų | 111 | 54% | 0.537 | 58% | 0.576 | S | S | . | * | G | 310 helix | trans | -87.1 | -20 | -178.4 | -70 | -175 | -164.1 | 0 | 0 | 114.1 | P125 L126 K133 | P125-E128 HydrophobicContact CB-CG 4.21Å; P125-E128 HydrophobicContact CG-CG 4.46Å; P125-E128 WeakPolarHBondContact O-CA 3.4Å; P125-E128 VanDerWaalsContact O-CB 3.29Å; P125-E128 WeakPolarHBondContact O-CB 3.29Å; P125-E128 PolarHBondContact O-N 3.39Å; L126-E128 PolarHBondContact O-N 2.92Å; E128-K133 VanDerWaalsContact CA-NZ 3.32Å; E128-K133 WeakPolarHBondContact O-CD 3.4Å; E128-K133 WeakPolarHBondContact O-CE 3.48Å; E128-K133 PolarHBondContact O-NZ 3.24Å |
| 129 | N | 85.6 | Confident | 75.2 | Confident | 69 Ų | 69 | 110.5 Ų | 110.5 | 37% | 0.369 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -57.2 | 127.7 | 178.5 | 179.2 | -28.5 | 0 | 0 | 0 | 110 | L126 F131 I132 K133 | L126-N129 WeakPolarHBondContact O-CB 3.4Å; L126-N129 PolarHBondContact O-N 3.16Å; N129-F131 PolarHBondContact O-N 3.31Å; N129-F131 WeakPolarHBondContact OD1-CB 3.27Å; N129-F131 PolarHBondContact OD1-N 3.41Å; N129-I132 HydrophobicContact CB-CB 4.18Å; N129-I132 HydrophobicContact CB-CG1 3.89Å; N129-I132 PolarHBondContact O-N 3.28Å; N129-K133 PolarHBondContact O-N 3.34Å |
| 130 | P | 86 | Confident | 77 | Confident | 92 Ų | 92 | 108.4 Ų | 108.4 | 60% | 0.597 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -58.7 | -32.2 | -177.5 | 23.4 | -34.2 | 0 | 0 | 0 | 113 | L134 | P130-L134 WeakPolarHBondContact O-CB 3.45Å; P130-L134 WeakPolarHBondContact O-CG 3.46Å; P130-L134 PolarHBondContact O-N 2.88Å |
| 131 | F | 87.9 | Confident | 78.8 | Confident | 147 Ų | 147 | 108.8 Ų | 108.8 | 65% | 0.645 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.9 | -44.8 | 174.2 | -179.7 | -97.5 | 0 | 0 | 0 | 111.8 | N129 L134 E135 | N129-F131 PolarHBondContact O-N 3.31Å; N129-F131 WeakPolarHBondContact OD1-CB 3.27Å; N129-F131 PolarHBondContact OD1-N 3.41Å; F131-L134 PolarHBondContact O-N 3.25Å; F131-E135 WeakPolarHBondContact O-CB 3.25Å; F131-E135 PolarHBondContact O-N 2.88Å |
| 132 | I | 86.3 | Confident | 80.2 | Confident | 55 Ų | 55 | 104.6 Ų | 104.6 | 28% | 0.282 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.1 | -40.8 | 178.5 | -59.6 | -63 | 0 | 0 | 0 | 110.8 | L126 N129 E135 K136 | L126-I132 HydrophobicContact CD1-CG1 4.07Å; L126-I132 HydrophobicContact CG-CG1 4.22Å; L126-I132 WeakPolarHBondContact O-CB 3.4Å; N129-I132 HydrophobicContact CB-CB 4.18Å; N129-I132 HydrophobicContact CB-CG1 3.89Å; N129-I132 PolarHBondContact O-N 3.28Å; I132-E135 PolarHBondContact O-N 2.87Å; I132-K136 WeakPolarHBondContact O-CB 3.45Å; I132-K136 PolarHBondContact O-N 3.01Å |
| 133 | K | 87.9 | Confident | 81.7 | Confident | 112 Ų | 112 | 102.4 Ų | 102.4 | 49% | 0.487 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.7 | -46.5 | 172.7 | -74.4 | 173.1 | 169.6 | 148.3 | 0 | 112.2 | E127 E128 N129 K136 E137 | E127-K133 WeakPolarHBondContact O-CE 3.26Å; E127-K133 VanDerWaalsContact O-CG 3.3Å; E127-K133 WeakPolarHBondContact O-CG 3.09Å; E128-K133 VanDerWaalsContact CA-NZ 3.32Å; E128-K133 WeakPolarHBondContact O-CD 3.4Å; E128-K133 WeakPolarHBondContact O-CE 3.48Å; E128-K133 PolarHBondContact O-NZ 3.24Å; N129-K133 PolarHBondContact O-N 3.34Å; K133-K136 PolarHBondContact O-N 3.14Å; K133-E137 WeakPolarHBondContact O-CB 3.38Å; K133-E137 PolarHBondContact O-N 2.77Å |
| 134 | L | 88.7 | Confident | 83.1 | Confident | 127 Ų | 127 | 103.7 Ų | 103.7 | 67% | 0.665 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.7 | -42.7 | 179 | -74.7 | 169.3 | 0 | 0 | 0 | 111.9 | P130 F131 E137 R138 | P130-L134 WeakPolarHBondContact O-CB 3.45Å; P130-L134 WeakPolarHBondContact O-CG 3.46Å; P130-L134 PolarHBondContact O-N 2.88Å; F131-L134 PolarHBondContact O-N 3.25Å; L134-E137 PolarHBondContact O-N 2.96Å; L134-R138 VanDerWaalsContact O-CB 3.27Å; L134-R138 WeakPolarHBondContact O-CB 3.21Å; L134-R138 PolarHBondContact O-N 3.21Å |
| 135 | E | 88.9 | Confident | 84.2 | Confident | 48 Ų | 48 | 107.2 Ų | 107.2 | 22% | 0.224 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -66.2 | -38.8 | 176.2 | 175 | 59.1 | -171.2 | 0 | 0 | 111.9 | F131 I132 R138 R139 | F131-E135 WeakPolarHBondContact O-CB 3.25Å; F131-E135 PolarHBondContact O-N 2.88Å; I132-E135 PolarHBondContact O-N 2.87Å; E135-R138 PolarHBondContact O-N 2.74Å; E135-R138 IonicContact OE1-CZ 3.43Å; E135-R138 IonicContact OE1-NE 3.44Å; E135-R138 IonicContact OE1-NH2 3.29Å; E135-R138 PolarHBondContact OE1-NH2 3.41Å; E135-R138 IonicContact OE2-CZ 2.67Å; E135-R138 IonicContact OE2-NE 2.98Å; E135-R138 PolarHBondContact OE2-NE 2.95Å; E135-R138 IonicContact OE2-NH2 3.34Å; E135-R138 PolarHBondContact OE2-NH2 3.45Å; E135-R139 WeakPolarHBondContact O-CG 3.46Å; E135-R139 PolarHBondContact O-N 3.43Å; E135-R139 IonicContact OE1-CZ 2.58Å; E135-R139 VanDerWaalsContact OE1-CZ 3.23Å; E135-R139 IonicContact OE1-NE 3.21Å; E135-R139 PolarHBondContact OE1-NE 3.33Å; E135-R139 IonicContact OE1-NH2 3.39Å; E135-R139 PolarHBondContact OE1-NH2 3.42Å |
| 136 | K | 89.7 | Confident | 84.7 | Confident | 122 Ų | 122 | 104.7 Ų | 104.7 | 53% | 0.53 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.6 | -41.1 | 175.8 | -168.7 | 173.2 | -169.8 | 175.2 | 0 | 112.3 | E127 I132 K133 K140 | E127-K136 WeakPolarHBondContact OE1-CD 3.41Å; E127-K136 IonicContact OE1-NZ 2.9Å; E127-K136 PolarHBondContact OE1-NZ 3.35Å; I132-K136 WeakPolarHBondContact O-CB 3.45Å; I132-K136 PolarHBondContact O-N 3.01Å; K133-K136 PolarHBondContact O-N 3.14Å; K136-K140 VanDerWaalsContact O-CB 3.28Å; K136-K140 WeakPolarHBondContact O-CB 3.3Å; K136-K140 PolarHBondContact O-N 2.98Å |
| 137 | E | 88.4 | Confident | 85.5 | Confident | 60 Ų | 60 | 100.1 Ų | 100.1 | 28% | 0.28 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -70.6 | -34.4 | 173.1 | 174.3 | 62.8 | -168.9 | 0 | 0 | 111.9 | K133 L134 K140 R141 | K133-E137 WeakPolarHBondContact O-CB 3.38Å; K133-E137 PolarHBondContact O-N 2.77Å; L134-E137 PolarHBondContact O-N 2.96Å; E137-K140 PolarHBondContact O-N 3.39Å; E137-K140 IonicContact OE2-NZ 3Å; E137-K140 PolarHBondContact OE2-NZ 3.22Å; E137-R141 VanDerWaalsContact O-CG 3.29Å; E137-R141 WeakPolarHBondContact O-CG 3.25Å; E137-R141 PolarHBondContact O-N 3.31Å; E137-R141 IonicContact OE1-CZ 2.81Å; E137-R141 IonicContact OE1-NE 2.71Å; E137-R141 PolarHBondContact OE1-NE 2.88Å; E137-R141 IonicContact OE1-NH2 3.86Å; E137-R141 PolarHBondContact OE1-NH2 3.18Å |
| 138 | R | 89.4 | Confident | 86.5 | Confident | 108 Ų | 108 | 98.9 Ų | 98.9 | 41% | 0.408 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.7 | -47.2 | 172.8 | -169.4 | -160.9 | 64.5 | 68.3 | 4.3 | 111.2 | L134 E135 R141 Q142 | L134-R138 VanDerWaalsContact O-CB 3.27Å; L134-R138 WeakPolarHBondContact O-CB 3.21Å; L134-R138 PolarHBondContact O-N 3.21Å; E135-R138 PolarHBondContact O-N 2.74Å; E135-R138 IonicContact OE1-CZ 3.43Å; E135-R138 IonicContact OE1-NE 3.44Å; E135-R138 IonicContact OE1-NH2 3.29Å; E135-R138 PolarHBondContact OE1-NH2 3.41Å; E135-R138 IonicContact OE2-CZ 2.67Å; E135-R138 IonicContact OE2-NE 2.98Å; E135-R138 PolarHBondContact OE2-NE 2.95Å; E135-R138 IonicContact OE2-NH2 3.34Å; E135-R138 PolarHBondContact OE2-NH2 3.45Å; R138-R141 PolarHBondContact O-N 3.48Å; R138-Q142 PolarHBondContact O-N 3.26Å |
| 139 | R | 87.1 | Confident | 87.1 | Confident | 126 Ų | 126 | 100 Ų | 100 | 48% | 0.475 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -58.7 | -53.2 | 173.3 | -73.2 | -179.9 | -170.4 | -120.4 | -8.3 | 111 | E135 R141 Q142 D143 | E135-R139 WeakPolarHBondContact O-CG 3.46Å; E135-R139 PolarHBondContact O-N 3.43Å; E135-R139 IonicContact OE1-CZ 2.58Å; E135-R139 VanDerWaalsContact OE1-CZ 3.23Å; E135-R139 IonicContact OE1-NE 3.21Å; E135-R139 PolarHBondContact OE1-NE 3.33Å; E135-R139 IonicContact OE1-NH2 3.39Å; E135-R139 PolarHBondContact OE1-NH2 3.42Å; R139-R141 PolarHBondContact O-N 3.49Å; R139-Q142 CarbonylContact O-C 3.57Å; R139-Q142 WeakPolarHBondContact O-CA 3.34Å; R139-Q142 VanDerWaalsContact O-CB 3.31Å; R139-Q142 WeakPolarHBondContact O-CB 3.25Å; R139-Q142 PolarHBondContact O-N 2.95Å; R139-D143 PolarHBondContact O-N 3.12Å |
| 140 | K | 87.2 | Confident | 87.2 | Confident | 130 Ų | 130 | 98 Ų | 98 | 57% | 0.565 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -55.6 | -29.5 | 177 | 174.7 | 175.3 | 155 | -124.7 | 0 | 114.3 | K136 E137 D143 R144 | K136-K140 VanDerWaalsContact O-CB 3.28Å; K136-K140 WeakPolarHBondContact O-CB 3.3Å; K136-K140 PolarHBondContact O-N 2.98Å; E137-K140 PolarHBondContact O-N 3.39Å; E137-K140 IonicContact OE2-NZ 3Å; E137-K140 PolarHBondContact OE2-NZ 3.22Å; K140-D143 PolarHBondContact N-OD2 3.35Å; K140-R144 WeakPolarHBondContact O-CB 3.47Å; K140-R144 PolarHBondContact O-N 3.44Å |
| 141 | R | 88.3 | Confident | 87.4 | Confident | 163 Ų | 163 | 96.4 Ų | 96.4 | 62% | 0.615 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -73 | -46.8 | 170.3 | -73.8 | 172.2 | -172.4 | -156.1 | 1.7 | 112 | E137 R138 R139 R144 E145 | E137-R141 VanDerWaalsContact O-CG 3.29Å; E137-R141 WeakPolarHBondContact O-CG 3.25Å; E137-R141 PolarHBondContact O-N 3.31Å; E137-R141 IonicContact OE1-CZ 2.81Å; E137-R141 IonicContact OE1-NE 2.71Å; E137-R141 PolarHBondContact OE1-NE 2.88Å; E137-R141 IonicContact OE1-NH2 3.86Å; E137-R141 PolarHBondContact OE1-NH2 3.18Å; R138-R141 PolarHBondContact O-N 3.48Å; R139-R141 PolarHBondContact O-N 3.49Å; R141-R144 WeakPolarHBondContact O-CB 3.49Å; R141-R144 PolarHBondContact O-N 2.89Å; R141-E145 PolarHBondContact O-N 3.31Å |
| 142 | Q | 84.7 | Confident | 87.5 | Confident | 85 Ų | 85 | 94.4 Ų | 94.4 | 40% | 0.397 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -58.3 | -46.9 | 174.2 | -170.4 | 174.7 | 0.4 | 0 | 0 | 111.2 | R138 R139 R144 E145 N146 | R138-Q142 PolarHBondContact O-N 3.26Å; R139-Q142 CarbonylContact O-C 3.57Å; R139-Q142 WeakPolarHBondContact O-CA 3.34Å; R139-Q142 VanDerWaalsContact O-CB 3.31Å; R139-Q142 WeakPolarHBondContact O-CB 3.25Å; R139-Q142 PolarHBondContact O-N 2.95Å; Q142-R144 VanDerWaalsContact C-N 3.27Å; Q142-R144 PolarHBondContact O-N 3.14Å; Q142-E145 PolarHBondContact O-N 2.94Å; Q142-E145 VanDerWaalsContact O-N 3.07Å; Q142-N146 WeakPolarHBondContact O-CB 3.46Å; Q142-N146 PolarHBondContact O-N 3.42Å; Q142-N146 PolarHBondContact O-ND2 3.29Å; Q142-N146 PolarHBondContact O-OD1 3.46Å |
| 143 | D | 84.6 | Confident | 87.7 | Confident | 66 Ų | 66 | 92.5 Ų | 92.5 | 35% | 0.353 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60 | -36.3 | 175.9 | -56.9 | -39.3 | 0 | 0 | 0 | 112.2 | R139 K140 A147 | R139-D143 PolarHBondContact O-N 3.12Å; K140-D143 PolarHBondContact N-OD2 3.35Å; D143-A147 WeakPolarHBondContact O-CB 3.36Å; D143-A147 PolarHBondContact O-N 3.49Å |
| 144 | R | 86.3 | Confident | 87.8 | Confident | 200 Ų | 200 | 87.5 Ų | 87.5 | 76% | 0.755 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -72 | -33.9 | 175.2 | -176.9 | 177.2 | 175.8 | 114.5 | -0 | 112.4 | K140 R141 Q142 A148 | K140-R144 WeakPolarHBondContact O-CB 3.47Å; K140-R144 PolarHBondContact O-N 3.44Å; R141-R144 WeakPolarHBondContact O-CB 3.49Å; R141-R144 PolarHBondContact O-N 2.89Å; Q142-R144 VanDerWaalsContact C-N 3.27Å; Q142-R144 PolarHBondContact O-N 3.14Å; R144-A148 WeakPolarHBondContact O-CB 3.16Å; R144-A148 PolarHBondContact O-N 2.82Å; R144-A148 VanDerWaalsContact O-N 3.12Å |
| 145 | E | 87.2 | Confident | 87.9 | Confident | 118 Ų | 118 | 84.8 Ų | 84.8 | 55% | 0.551 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -71.9 | -46.3 | 174.6 | -179.3 | 160.2 | -153.8 | 0 | 0 | 111.4 | R141 Q142 A147 A148 R149 | R141-E145 PolarHBondContact O-N 3.31Å; Q142-E145 PolarHBondContact O-N 2.94Å; Q142-E145 VanDerWaalsContact O-N 3.07Å; E145-A147 VanDerWaalsContact C-N 3.34Å; E145-A147 PolarHBondContact O-N 3.48Å; E145-A148 CarbonylContact O-C 3.59Å; E145-A148 WeakPolarHBondContact O-CA 3.41Å; E145-A148 WeakPolarHBondContact O-CB 3.24Å; E145-A148 PolarHBondContact O-N 2.93Å; E145-R149 PolarHBondContact O-N 2.83Å |
| 146 | N | 85 | Confident | 88 | Confident | 27 Ų | 27 | 88.7 Ų | 88.7 | 14% | 0.144 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -55.5 | -48.1 | 173.3 | -66 | -7.5 | 0 | 0 | 0 | 111.1 | Q142 A148 R149 P150 H153 | Q142-N146 WeakPolarHBondContact O-CB 3.46Å; Q142-N146 PolarHBondContact O-N 3.42Å; Q142-N146 PolarHBondContact O-ND2 3.29Å; Q142-N146 PolarHBondContact O-OD1 3.46Å; N146-A148 VanDerWaalsContact C-N 3.27Å; N146-A148 PolarHBondContact O-N 3.36Å; N146-R149 CarbonylContact O-C 3.55Å; N146-R149 PolarHBondContact O-N 3.01Å; N146-R149 VanDerWaalsContact O-N 3.15Å; N146-P150 WeakPolarHBondContact O-CA 3.39Å; N146-H153 HydrophobicContact CB-CB 4.25Å; N146-H153 PolarHBondContact ND2-CE1 3.36Å |
| 147 | A | 83.3 | Confident | 88 | Confident | 29 Ų | 29 | 84.1 Ų | 84.1 | 24% | 0.24 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -69 | -20.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | D143 E145 | D143-A147 WeakPolarHBondContact O-CB 3.36Å; D143-A147 PolarHBondContact O-N 3.49Å; E145-A147 VanDerWaalsContact C-N 3.34Å; E145-A147 PolarHBondContact O-N 3.48Å |
| 148 | A | 87.2 | Confident | 88.1 | Confident | 77 Ų | 77 | 82.1 Ų | 82.1 | 64% | 0.636 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -84.9 | -19.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | R144 E145 N146 | R144-A148 WeakPolarHBondContact O-CB 3.16Å; R144-A148 PolarHBondContact O-N 2.82Å; R144-A148 VanDerWaalsContact O-N 3.12Å; E145-A148 CarbonylContact O-C 3.59Å; E145-A148 WeakPolarHBondContact O-CA 3.41Å; E145-A148 WeakPolarHBondContact O-CB 3.24Å; E145-A148 PolarHBondContact O-N 2.93Å; N146-A148 VanDerWaalsContact C-N 3.27Å; N146-A148 PolarHBondContact O-N 3.36Å |
| 149 | R | 89.7 | Confident | 88 | Confident | 139 Ų | 139 | 79.5 Ų | 79.5 | 53% | 0.525 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -126.1 | 53 | 179.5 | -62.5 | 178.1 | 172.1 | -115.4 | 1.7 | 111.9 | E145 N146 V151 Q152 H153 | E145-R149 PolarHBondContact O-N 2.83Å; N146-R149 CarbonylContact O-C 3.55Å; N146-R149 PolarHBondContact O-N 3.01Å; N146-R149 VanDerWaalsContact O-N 3.15Å; R149-V151 VanDerWaalsContact C-N 3.33Å; R149-V151 PolarHBondContact O-N 3.42Å; R149-Q152 HydrophobicContact CB-CB 4.13Å; R149-Q152 WeakPolarHBondContact O-CB 3.09Å; R149-Q152 PolarHBondContact O-N 2.79Å; R149-H153 PolarHBondContact O-N 2.9Å |
| 150 | P | 88.3 | Confident | 87.9 | Confident | 27 Ų | 27 | 78.3 Ų | 78.3 | 18% | 0.175 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -59 | -39.5 | -166 | 23.5 | -35.6 | 0 | 0 | 0 | 114.2 | N146 Q152 H153 I154 L205 V213 | N146-P150 WeakPolarHBondContact O-CA 3.39Å; P150-Q152 VanDerWaalsContact C-N 3.32Å; P150-Q152 PolarHBondContact O-N 2.67Å; P150-H153 PolarHBondContact O-N 2.96Å; P150-I154 WeakPolarHBondContact O-CD1 3.46Å; P150-I154 WeakPolarHBondContact O-CG1 3.41Å; P150-I154 PolarHBondContact O-N 3.45Å; P150-L205 HydrophobicContact CB-CD1 3.67Å; P150-L205 HydrophobicContact CB-CD2 3.54Å; P150-L205 HydrophobicContact CB-CG 4.21Å; P150-V213 HydrophobicContact CB-CG2 3.74Å; P150-V213 HydrophobicContact CG-CG2 4.2Å |
| 151 | V | 89.1 | Confident | 87.9 | Confident | 59 Ų | 59 | 74.2 Ų | 74.2 | 36% | 0.358 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.1 | -33.6 | 177 | 171.1 | 0 | 0 | 0 | 0 | 112.6 | R149 L155 I173 | R149-V151 VanDerWaalsContact C-N 3.33Å; R149-V151 PolarHBondContact O-N 3.42Å; V151-L155 WeakPolarHBondContact O-CB 3.42Å; V151-L155 PolarHBondContact O-N 3.11Å; V151-I173 HydrophobicContact CB-CD1 4.41Å; V151-I173 HydrophobicContact CG1-CD1 4.1Å; V151-I173 HydrophobicContact CG2-CD1 4.42Å |
| 152 | Q | 90.8 | Very high | 87.9 | Confident | 105 Ų | 105 | 70.3 Ų | 70.3 | 49% | 0.491 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -74.6 | -43.9 | 177.2 | -172.9 | 175.2 | -12.1 | 0 | 0 | 110.2 | R149 P150 L155 E156 | R149-Q152 HydrophobicContact CB-CB 4.13Å; R149-Q152 WeakPolarHBondContact O-CB 3.09Å; R149-Q152 PolarHBondContact O-N 2.79Å; P150-Q152 VanDerWaalsContact C-N 3.32Å; P150-Q152 PolarHBondContact O-N 2.67Å; Q152-L155 PolarHBondContact O-N 3.18Å; Q152-E156 PolarHBondContact O-N 3.19Å |
| 153 | H | 89.9 | Confident | 88 | Confident | 14 Ų | 14 | 66.8 Ų | 66.8 | 7% | 0.065 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -56.3 | -52.3 | 174.9 | -174.1 | 51 | 0 | 0 | 0 | 111.7 | N146 R149 P150 L155 E156 L157 S201 | N146-H153 HydrophobicContact CB-CB 4.25Å; N146-H153 PolarHBondContact ND2-CE1 3.36Å; R149-H153 PolarHBondContact O-N 2.9Å; P150-H153 PolarHBondContact O-N 2.96Å; H153-L155 VanDerWaalsContact C-N 3.27Å; H153-L155 PolarHBondContact O-N 2.81Å; H153-E156 WeakPolarHBondContact O-CB 3.47Å; H153-E156 PolarHBondContact O-N 3.03Å; H153-L157 VanDerWaalsContact O-CG 3.3Å; H153-L157 WeakPolarHBondContact O-CG 3.19Å; H153-L157 PolarHBondContact O-N 3Å; H153-S201 PolarHBondContact CE1-OG 3.04Å; H153-S201 PolarHBondContact NE2-OG 2.83Å |
| 154 | I | 90.8 | Very high | 88.3 | Confident | 8 Ų | 8 | 64.8 Ų | 64.8 | 4% | 0.041 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -57.8 | -39.7 | 178.6 | -64.6 | 161.2 | 0 | 0 | 0 | 111.9 | P150 L157 Y158 I173 I175 L202 L205 V213 | P150-I154 WeakPolarHBondContact O-CD1 3.46Å; P150-I154 WeakPolarHBondContact O-CG1 3.41Å; P150-I154 PolarHBondContact O-N 3.45Å; I154-L157 PolarHBondContact O-N 3.48Å; I154-Y158 HydrophobicContact CG2-CD2 4.11Å; I154-Y158 HydrophobicContact CG2-CE2 4.45Å; I154-Y158 WeakPolarHBondContact O-CD2 3.35Å; I154-Y158 PolarHBondContact O-N 2.9Å; I154-I173 HydrophobicContact CB-CD1 3.85Å; I154-I173 HydrophobicContact CD1-CD1 4.07Å; I154-I173 HydrophobicContact CG2-CD1 3.68Å; I154-I173 HydrophobicContact CG2-CG2 4.32Å; I154-I175 HydrophobicContact CG2-CD1 4.25Å; I154-L202 HydrophobicContact CD1-CD1 4.34Å; I154-L202 HydrophobicContact CG1-CD1 3.79Å; I154-L205 HydrophobicContact CD1-CD2 3.93Å; I154-L205 HydrophobicContact CG1-CD2 4.05Å; I154-V213 HydrophobicContact CD1-CG1 3.89Å; I154-V213 HydrophobicContact CD1-CG2 4.15Å |
| 155 | L | 91.1 | Very high | 88.5 | Confident | 69 Ų | 69 | 60.3 Ų | 60.3 | 36% | 0.361 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -69.4 | -32 | 178.1 | -174.4 | 60.5 | 0 | 0 | 0 | 112.5 | V151 Q152 H153 G159 T166 | V151-L155 WeakPolarHBondContact O-CB 3.42Å; V151-L155 PolarHBondContact O-N 3.11Å; Q152-L155 PolarHBondContact O-N 3.18Å; H153-L155 VanDerWaalsContact C-N 3.27Å; H153-L155 PolarHBondContact O-N 2.81Å; L155-G159 VanDerWaalsContact O-CA 3.29Å; L155-G159 WeakPolarHBondContact O-CA 3.38Å; L155-G159 PolarHBondContact O-N 3.33Å; L155-T166 HydrophobicContact CD1-CG2 3.63Å |
| 156 | E | 90.9 | Very high | 88.7 | Confident | 130 Ų | 130 | 56.3 Ų | 56.3 | 61% | 0.607 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -71 | -43.7 | 173.4 | -170.7 | 173.8 | 157.9 | 0 | 0 | 111.7 | Q152 H153 Y158 | Q152-E156 PolarHBondContact O-N 3.19Å; H153-E156 WeakPolarHBondContact O-CB 3.47Å; H153-E156 PolarHBondContact O-N 3.03Å; E156-Y158 VanDerWaalsContact C-N 3.34Å; E156-Y158 PolarHBondContact O-N 2.99Å |
| 157 | L | 89.9 | Confident | 89 | Confident | 26 Ų | 26 | 58.8 Ų | 58.8 | 14% | 0.136 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58.1 | -40.6 | 178.3 | -68.2 | 177.3 | 0 | 0 | 0 | 113 | H153 I154 V161 T198 L202 | H153-L157 VanDerWaalsContact O-CG 3.3Å; H153-L157 WeakPolarHBondContact O-CG 3.19Å; H153-L157 PolarHBondContact O-N 3Å; I154-L157 PolarHBondContact O-N 3.48Å; L157-V161 WeakPolarHBondContact O-CG2 3.28Å; L157-T198 HydrophobicContact CB-CG2 3.78Å; L157-T198 HydrophobicContact CD2-CG2 3.6Å; L157-T198 HydrophobicContact CG-CG2 4.19Å; L157-L202 HydrophobicContact CD1-CB 4.1Å; L157-L202 HydrophobicContact CD1-CD1 4.48Å |
| 158 | Y | 89.1 | Confident | 89.5 | Confident | 18 Ų | 18 | 65.3 Ų | 65.3 | 7% | 0.071 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -104.8 | -25.5 | -175.7 | -71.3 | -76.5 | 0 | 0 | 0 | 114.7 | I154 E156 S160 V161 I164 T166 I175 Y199 L202 | I154-Y158 HydrophobicContact CG2-CD2 4.11Å; I154-Y158 HydrophobicContact CG2-CE2 4.45Å; I154-Y158 WeakPolarHBondContact O-CD2 3.35Å; I154-Y158 PolarHBondContact O-N 2.9Å; E156-Y158 VanDerWaalsContact C-N 3.34Å; E156-Y158 PolarHBondContact O-N 2.99Å; Y158-S160 PolarHBondContact O-N 3.27Å; Y158-S160 VanDerWaalsContact O-N 3.12Å; Y158-V161 PolarHBondContact O-N 2.98Å; Y158-V161 VanDerWaalsContact O-N 3.11Å; Y158-I164 HydrophobicContact CD1-CD1 4.08Å; Y158-I164 HydrophobicContact CD1-CG2 4.12Å; Y158-I164 HydrophobicContact CE1-CD1 4.39Å; Y158-T166 WeakPolarHBondContact CB-OG1 3.41Å; Y158-I175 HydrophobicContact CD1-CG2 3.79Å; Y158-I175 HydrophobicContact CD2-CD1 3.58Å; Y158-I175 HydrophobicContact CD2-CG1 4.18Å; Y158-I175 HydrophobicContact CE1-CG2 3.97Å; Y158-I175 HydrophobicContact CE2-CD1 3.46Å; Y158-I175 VanDerWaalsContact CE2-CD1 3.46Å; Y158-I175 HydrophobicContact CE2-CG1 4.46Å; Y158-I175 HydrophobicContact CG-CD1 4.17Å; Y158-I175 HydrophobicContact CG-CG1 4.35Å; Y158-I175 HydrophobicContact CG-CG2 4.1Å; Y158-Y199 WeakPolarHBondContact OH-CE2 3.4Å; Y158-L202 HydrophobicContact CE2-CD2 3.79Å; Y158-L202 WeakPolarHBondContact OH-CD2 3.45Å |
| 159 | G | 87.1 | Confident | 89.6 | Confident | 54 Ų | 54 | 63.8 Ų | 63.8 | 56% | 0.557 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -66.7 | -12.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | L155 | L155-G159 VanDerWaalsContact O-CA 3.29Å; L155-G159 WeakPolarHBondContact O-CA 3.38Å; L155-G159 PolarHBondContact O-N 3.33Å |
| 160 | S | 85.4 | Confident | 89.5 | Confident | 100 Ų | 100 | 65 Ų | 65 | 70% | 0.699 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | -0.8 | 176.2 | -54.3 | 0 | 0 | 0 | 0 | 113.9 | Y158 P162 | Y158-S160 PolarHBondContact O-N 3.27Å; Y158-S160 VanDerWaalsContact O-N 3.12Å; S160-P162 WeakPolarHBondContact O-CD 3.29Å |
| 161 | V | 87.9 | Confident | 89.5 | Confident | 45 Ų | 45 | 71.3 Ų | 71.3 | 27% | 0.273 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -95.1 | 114.2 | -174.6 | -173.2 | 0 | 0 | 0 | 0 | 110.1 | L157 Y158 I164 | L157-V161 WeakPolarHBondContact O-CG2 3.28Å; Y158-V161 PolarHBondContact O-N 2.98Å; Y158-V161 VanDerWaalsContact O-N 3.11Å; V161-I164 HydrophobicContact CB-CB 4.24Å; V161-I164 HydrophobicContact CB-CD1 4.06Å; V161-I164 HydrophobicContact CB-CG1 4.26Å; V161-I164 HydrophobicContact CG1-CB 4.38Å; V161-I164 HydrophobicContact CG1-CD1 3.61Å; V161-I164 HydrophobicContact CG1-CG1 3.87Å; V161-I164 PolarHBondContact O-N 3.12Å |
| 162 | P | 87.5 | Confident | 89.6 | Confident | 80 Ų | 80 | 73.8 Ų | 73.8 | 52% | 0.519 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | 146.4 | 177.2 | -18.7 | 32.3 | 0 | 0 | 0 | 111.3 | S160 I164 Y181 F182 | S160-P162 WeakPolarHBondContact O-CD 3.29Å; P162-I164 PolarHBondContact O-N 3.02Å; P162-Y181 HydrophobicContact CB-CE1 4.38Å; P162-Y181 HydrophobicContact CB-CE2 4.15Å; P162-Y181 WeakPolarHBondContact O-CE1 3.31Å; P162-F182 WeakPolarHBondContact O-CZ 3.27Å |
| 163 | G | 86.4 | Confident | 89.7 | Confident | 12 Ų | 12 | 70.8 Ų | 70.8 | 12% | 0.124 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | 3.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | S177 D178 F182 | G163-S177 CarbonylContact O-C 3.21Å; G163-S177 WeakPolarHBondContact O-CA 3.48Å; G163-D178 PolarHBondContact O-N 3.19Å; G163-F182 WeakPolarHBondContact O-CE2 3.44Å |
| 164 | I | 91.2 | Very high | 89.8 | Confident | 23 Ų | 23 | 74.5 Ų | 74.5 | 12% | 0.118 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 122 | 171.3 | -57 | -172.9 | 0 | 0 | 0 | 109.9 | Y158 V161 P162 I175 F182 W191 | Y158-I164 HydrophobicContact CD1-CD1 4.08Å; Y158-I164 HydrophobicContact CD1-CG2 4.12Å; Y158-I164 HydrophobicContact CE1-CD1 4.39Å; V161-I164 HydrophobicContact CB-CB 4.24Å; V161-I164 HydrophobicContact CB-CD1 4.06Å; V161-I164 HydrophobicContact CB-CG1 4.26Å; V161-I164 HydrophobicContact CG1-CB 4.38Å; V161-I164 HydrophobicContact CG1-CD1 3.61Å; V161-I164 HydrophobicContact CG1-CG1 3.87Å; V161-I164 PolarHBondContact O-N 3.12Å; P162-I164 PolarHBondContact O-N 3.02Å; I164-I175 HydrophobicContact CG2-CG2 3.53Å; I164-F182 HydrophobicContact CG1-CE2 3.95Å; I164-F182 HydrophobicContact CG1-CZ 4.31Å; I164-W191 HydrophobicContact CD1-CZ2 4.26Å |
| 165 | R | 90.6 | Very high | 89.9 | Confident | 106 Ų | 106 | 77.5 Ų | 77.5 | 40% | 0.4 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 121 | 175.5 | -75.1 | 168.7 | 41.8 | -111.6 | -19.6 | 109.3 | E176 D178 | R165-E176 HydrophobicContact CB-CB 4.45Å; R165-E176 IonicContact CZ-OE1 2.69Å; R165-E176 IonicContact CZ-OE2 3.35Å; R165-E176 PolarHBondContact N-O 2.89Å; R165-E176 IonicContact NH1-OE1 2.7Å; R165-E176 PolarHBondContact NH1-OE1 3.07Å; R165-E176 IonicContact NH1-OE2 3.08Å; R165-E176 PolarHBondContact NH1-OE2 2.96Å; R165-E176 VanDerWaalsContact NH2-CD 3.26Å; R165-E176 IonicContact NH2-OE1 2.73Å; R165-E176 PolarHBondContact NH2-OE1 2.94Å; R165-E176 IonicContact NH2-OE2 2.71Å; R165-E176 PolarHBondContact NH2-OE2 2.87Å; R165-E176 PolarHBondContact O-N 3.17Å; R165-D178 WeakPolarHBondContact CD-OD1 3.29Å; R165-D178 IonicContact NH1-OD1 3.16Å; R165-D178 PolarHBondContact NH1-OD1 3.23Å |
| 166 | T | 92.4 | Very high | 89.8 | Confident | 35 Ų | 35 | 78 Ų | 78 | 22% | 0.215 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 116.3 | 178.3 | -55.3 | 0 | 0 | 0 | 0 | 110.2 | L155 Y158 I173 I174 I175 | L155-T166 HydrophobicContact CD1-CG2 3.63Å; Y158-T166 WeakPolarHBondContact CB-OG1 3.41Å; T166-I173 HydrophobicContact CG2-CG2 3.54Å; T166-I174 CarbonylContact C-O 3.22Å; T166-I174 WeakPolarHBondContact CA-O 3.36Å; T166-I175 HydrophobicContact CG2-CG1 4.5Å |
| 167 | I | 90.9 | Very high | 89.7 | Confident | 79 Ų | 79 | 75 Ų | 75 | 41% | 0.405 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 124.3 | 178.9 | -48.2 | 174.8 | 0 | 0 | 0 | 108.5 | I173 I174 | I167-I173 WeakPolarHBondContact O-CA 3.3Å; I167-I174 HydrophobicContact CB-CB 4.25Å; I167-I174 PolarHBondContact N-O 3.21Å; I167-I174 PolarHBondContact O-N 2.82Å |
| 168 | R | 92.9 | Very high | 89.6 | Confident | 165 Ų | 165 | 76.2 Ų | 76.2 | 62% | 0.623 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 128.2 | -177.7 | 179.1 | 179.2 | 171.5 | -133.4 | -6.9 | 111.8 | | |
| 169 | A | 89.6 | Confident | 89.1 | Confident | 46 Ų | 46 | 79.9 Ų | 79.9 | 38% | 0.38 | 44% | 0.442 | S | S | . | . | | | trans | -110.8 | -171.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | I172 | A169-I172 HydrophobicContact CB-CB 4.38Å; A169-I172 PolarHBondContact N-O 3.17Å |
| 170 | E | 88 | Confident | 88.7 | Confident | 164 Ų | 164 | 84.9 Ų | 84.9 | 77% | 0.766 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -63.3 | -42.7 | -177.5 | -65.4 | 75.2 | -168.4 | 0 | 0 | 112.8 | | |
| 171 | N | 89.2 | Confident | 88.5 | Confident | 160 Ų | 160 | 86.3 Ų | 86.3 | 86% | 0.856 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -131.1 | 7.6 | -175.1 | -60.5 | -72.4 | 0 | 0 | 0 | 113.5 | | |
| 172 | I | 91 | Very high | 87.8 | Confident | 111 Ų | 111 | 87 Ų | 87 | 57% | 0.569 | 45% | 0.447 | S | S | * | . | | | trans | -134.7 | 139.1 | -176.5 | -57.2 | 177.7 | 0 | 0 | 0 | 108.6 | A169 I174 | A169-I172 HydrophobicContact CB-CB 4.38Å; A169-I172 PolarHBondContact N-O 3.17Å; I172-I174 HydrophobicContact CG2-CG1 4.11Å |
| 173 | I | 92.4 | Very high | 86.6 | Confident | 42 Ų | 42 | 88.5 Ų | 88.5 | 22% | 0.215 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 125.7 | 166.8 | -52.3 | 173.4 | 0 | 0 | 0 | 106.3 | V151 I154 T166 I167 I175 | V151-I173 HydrophobicContact CB-CD1 4.41Å; V151-I173 HydrophobicContact CG1-CD1 4.1Å; V151-I173 HydrophobicContact CG2-CD1 4.42Å; I154-I173 HydrophobicContact CB-CD1 3.85Å; I154-I173 HydrophobicContact CD1-CD1 4.07Å; I154-I173 HydrophobicContact CG2-CD1 3.68Å; I154-I173 HydrophobicContact CG2-CG2 4.32Å; T166-I173 HydrophobicContact CG2-CG2 3.54Å; I167-I173 WeakPolarHBondContact O-CA 3.3Å; I173-I175 HydrophobicContact CG2-CG1 4.22Å |
| 174 | I | 92 | Very high | 85 | Confident | 91 Ų | 91 | 96.1 Ų | 96.1 | 47% | 0.467 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 128.1 | 172.5 | -53.6 | 174.6 | 0 | 0 | 0 | 106.8 | T166 I167 I172 | T166-I174 CarbonylContact C-O 3.22Å; T166-I174 WeakPolarHBondContact CA-O 3.36Å; I167-I174 HydrophobicContact CB-CB 4.25Å; I167-I174 PolarHBondContact N-O 3.21Å; I167-I174 PolarHBondContact O-N 2.82Å; I172-I174 HydrophobicContact CG2-CG1 4.11Å |
| 175 | I | 91.9 | Very high | 82.8 | Confident | 71 Ų | 71 | 99.6 Ų | 99.6 | 36% | 0.364 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 111.4 | 177 | -61 | 158.1 | 0 | 0 | 0 | 105.8 | I154 Y158 I164 T166 I173 | I154-I175 HydrophobicContact CG2-CD1 4.25Å; Y158-I175 HydrophobicContact CD1-CG2 3.79Å; Y158-I175 HydrophobicContact CD2-CD1 3.58Å; Y158-I175 HydrophobicContact CD2-CG1 4.18Å; Y158-I175 HydrophobicContact CE1-CG2 3.97Å; Y158-I175 HydrophobicContact CE2-CD1 3.46Å; Y158-I175 VanDerWaalsContact CE2-CD1 3.46Å; Y158-I175 HydrophobicContact CE2-CG1 4.46Å; Y158-I175 HydrophobicContact CG-CD1 4.17Å; Y158-I175 HydrophobicContact CG-CG1 4.35Å; Y158-I175 HydrophobicContact CG-CG2 4.1Å; I164-I175 HydrophobicContact CG2-CG2 3.53Å; T166-I175 HydrophobicContact CG2-CG1 4.5Å; I173-I175 HydrophobicContact CG2-CG1 4.22Å |
| 176 | E | 90.3 | Very high | 80.4 | Confident | 79 Ų | 79 | 97.3 Ų | 97.3 | 37% | 0.369 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 115.7 | -171.4 | -169.5 | -175.7 | 156.3 | 0 | 0 | 108.3 | R165 | R165-E176 HydrophobicContact CB-CB 4.45Å; R165-E176 IonicContact CZ-OE1 2.69Å; R165-E176 IonicContact CZ-OE2 3.35Å; R165-E176 PolarHBondContact N-O 2.89Å; R165-E176 IonicContact NH1-OE1 2.7Å; R165-E176 PolarHBondContact NH1-OE1 3.07Å; R165-E176 IonicContact NH1-OE2 3.08Å; R165-E176 PolarHBondContact NH1-OE2 2.96Å; R165-E176 VanDerWaalsContact NH2-CD 3.26Å; R165-E176 IonicContact NH2-OE1 2.73Å; R165-E176 PolarHBondContact NH2-OE1 2.94Å; R165-E176 IonicContact NH2-OE2 2.71Å; R165-E176 PolarHBondContact NH2-OE2 2.87Å; R165-E176 PolarHBondContact O-N 3.17Å |
| 177 | S | 88.9 | Confident | 77.7 | Confident | 67 Ų | 67 | 103.7 Ų | 103.7 | 47% | 0.469 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.5 | 124.1 | 177.7 | 54.1 | 0 | 0 | 0 | 0 | 110.5 | G163 P179 | G163-S177 CarbonylContact O-C 3.21Å; G163-S177 WeakPolarHBondContact O-CA 3.48Å; S177-P179 WeakPolarHBondContact O-CD 3.48Å |
| 178 | D | 87.4 | Confident | 75.7 | Confident | 52 Ų | 52 | 104.4 Ų | 104.4 | 28% | 0.278 | 57% | 0.57 | S | S | . | * | | | trans | -68.1 | 117.6 | 177.9 | -62.4 | -42.7 | 0 | 0 | 0 | 109.5 | G163 R165 D180 Y181 F182 | G163-D178 PolarHBondContact O-N 3.19Å; R165-D178 WeakPolarHBondContact CD-OD1 3.29Å; R165-D178 IonicContact NH1-OD1 3.16Å; R165-D178 PolarHBondContact NH1-OD1 3.23Å; D178-D180 VanDerWaalsContact C-N 3.33Å; D178-D180 PolarHBondContact O-N 2.92Å; D178-Y181 PolarHBondContact O-N 2.99Å; D178-Y181 VanDerWaalsContact O-N 3.17Å; D178-F182 PolarHBondContact O-N 3.36Å |
| 179 | P | 78.5 | Confident | 73.3 | Confident | 96 Ų | 96 | 106 Ų | 106 | 62% | 0.623 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -32.6 | -170.8 | 26 | -34.6 | 0 | 0 | 0 | 112.9 | S177 Y181 F182 | S177-P179 WeakPolarHBondContact O-CD 3.48Å; P179-Y181 PolarHBondContact O-N 3.14Å; P179-F182 CarbonylContact O-C 3.53Å; P179-F182 PolarHBondContact O-N 2.81Å |
| 180 | D | 78.5 | Confident | 71.1 | Confident | 158 Ų | 158 | 107.3 Ų | 107.3 | 85% | 0.845 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | -23 | 177.9 | -59.8 | -48 | 0 | 0 | 0 | 113 | D178 | D178-D180 VanDerWaalsContact C-N 3.33Å; D178-D180 PolarHBondContact O-N 2.92Å |
| 181 | Y | 81 | Confident | 69.1 | Low | 130 Ų | 130 | 107 Ų | 107 | 51% | 0.51 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.3 | -24.9 | 176 | -169 | -82.2 | 0 | 0 | 0 | 111.8 | P162 D178 P179 P183 | P162-Y181 HydrophobicContact CB-CE1 4.38Å; P162-Y181 HydrophobicContact CB-CE2 4.15Å; P162-Y181 WeakPolarHBondContact O-CE1 3.31Å; D178-Y181 PolarHBondContact O-N 2.99Å; D178-Y181 VanDerWaalsContact O-N 3.17Å; P179-Y181 PolarHBondContact O-N 3.14Å; Y181-P183 VanDerWaalsContact C-CD 3.48Å; Y181-P183 WeakPolarHBondContact O-CD 3.32Å |
| 182 | F | 74.3 | Confident | 67.2 | Low | 61 Ų | 61 | 106.4 Ų | 106.4 | 27% | 0.268 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -120.3 | 70.6 | 178.6 | -59.9 | -62.6 | 0 | 0 | 0 | 110.9 | P162 G163 I164 D178 P179 E184 W191 | P162-F182 WeakPolarHBondContact O-CZ 3.27Å; G163-F182 WeakPolarHBondContact O-CE2 3.44Å; I164-F182 HydrophobicContact CG1-CE2 3.95Å; I164-F182 HydrophobicContact CG1-CZ 4.31Å; D178-F182 PolarHBondContact O-N 3.36Å; P179-F182 CarbonylContact O-C 3.53Å; P179-F182 PolarHBondContact O-N 2.81Å; F182-E184 PolarHBondContact O-N 3.01Å; F182-E184 VanDerWaalsContact O-N 3.17Å; F182-W191 AromaticContact CD1-CH2 3.88Å; F182-W191 HydrophobicContact CD1-CH2 3.88Å; F182-W191 HydrophobicContact CD1-CZ2 4.04Å; F182-W191 HydrophobicContact CD2-CZ2 4.22Å; F182-W191 AromaticContact CE1-CH2 3.26Å; F182-W191 HydrophobicContact CE1-CH2 3.26Å; F182-W191 AromaticContact CE1-CZ2 3.77Å; F182-W191 HydrophobicContact CE1-CZ2 3.77Å; F182-W191 HydrophobicContact CE1-CZ3 4.28Å; F182-W191 HydrophobicContact CE2-CH2 4.1Å; F182-W191 AromaticContact CE2-CZ2 3.92Å; F182-W191 HydrophobicContact CE2-CZ2 3.92Å; F182-W191 HydrophobicContact CG-CZ2 4.27Å; F182-W191 AromaticContact CZ-CH2 3.38Å; F182-W191 HydrophobicContact CZ-CH2 3.38Å; F182-W191 AromaticContact CZ-CZ2 3.69Å; F182-W191 HydrophobicContact CZ-CZ2 3.69Å |
| 183 | P | 61.6 | Low | 64.9 | Low | 110 Ų | 110 | 109.2 Ų | 109.2 | 71% | 0.714 | 58% | 0.582 | S | S | * | * | | | trans | -55.2 | 122 | -174.8 | 21.7 | -33.7 | 0 | 0 | 0 | 111.5 | Y181 A185 | Y181-P183 VanDerWaalsContact C-CD 3.48Å; Y181-P183 WeakPolarHBondContact O-CD 3.32Å; P183-A185 PolarHBondContact O-N 2.98Å |
| 184 | E | 52.3 | Low | 62.1 | Low | 173 Ų | 173 | 115.1 Ų | 115.1 | 81% | 0.808 | 61% | 0.614 | S | S | * | * | | | trans | -72.9 | 94.6 | -163.6 | -169.1 | 176.6 | -160.5 | 0 | 0 | 112.7 | F182 G186 | F182-E184 PolarHBondContact O-N 3.01Å; F182-E184 VanDerWaalsContact O-N 3.17Å; E184-G186 PolarHBondContact O-N 3.12Å |
| 185 | A | 44.3 | Very low | 60 | Low | 96 Ų | 96 | 113.8 Ų | 113.8 | 79% | 0.793 | 62% | 0.623 | S | S | * | * | | | trans | -69.9 | 111.5 | 155 | 0 | 0 | 0 | 0 | 0 | 107.9 | P183 | P183-A185 PolarHBondContact O-N 2.98Š|
| 186 | G | 40.1 | Very low | 57.8 | Low | 58 Ų | 58 | 116.1 Ų | 116.1 | 60% | 0.598 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -55.3 | 154.8 | -157.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | E184 | E184-G186 PolarHBondContact O-N 3.12Š|
| 187 | E | 36.9 | Very low | 56.3 | Low | 168 Ų | 168 | 117.9 Ų | 117.9 | 79% | 0.785 | 65% | 0.653 | S | S | * | * | S | Bend | trans | 62.8 | 86.2 | 169.7 | -62.2 | -166 | 157.7 | 0 | 0 | 117.4 | K189 | E187-K189 PolarHBondContact O-N 2.78Š|
| 188 | S | 49.1 | Very low | 55 | Low | 95 Ų | 95 | 116.7 Ų | 116.7 | 66% | 0.664 | 64% | 0.642 | S | S | * | * | | | trans | 55.8 | 19.7 | 139 | -56.1 | 0 | 0 | 0 | 0 | 118.2 | S190 K219 | S188-S190 PolarHBondContact O-N 2.73Å; S188-K219 PolarHBondContact OG-NZ 3.3Å |
| 189 | K | 42.3 | Very low | 54 | Low | 197 Ų | 197 | 117.2 Ų | 117.2 | 86% | 0.857 | 64% | 0.641 | S | S | * | * | | | trans | -73.6 | 126.4 | 166.8 | -78.3 | 172 | -177.4 | 164.2 | 0 | 108.8 | E187 | E187-K189 PolarHBondContact O-N 2.78Š|
| 190 | S | 43.6 | Very low | 53.8 | Low | 74 Ų | 74 | 116.4 Ų | 116.4 | 52% | 0.517 | 64% | 0.637 | S | S | . | * | | | trans | -58.7 | 162.2 | -179.8 | 48.3 | 0 | 0 | 0 | 0 | 111.4 | S188 Q192 | S188-S190 PolarHBondContact O-N 2.73Å; S190-Q192 PolarHBondContact O-N 3.13Å; S190-Q192 PolarHBondContact OG-OE1 3.18Å; S190-Q192 VanDerWaalsContact OG-OE1 3.1Å |
| 191 | W | 44.7 | Very low | 54.1 | Low | 158 Ų | 158 | 110.2 Ų | 110.2 | 60% | 0.598 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -61.3 | 24.9 | 167.2 | -82.3 | 92.2 | 0 | 0 | 0 | 114.5 | I164 F182 | I164-W191 HydrophobicContact CD1-CZ2 4.26Å; F182-W191 AromaticContact CD1-CH2 3.88Å; F182-W191 HydrophobicContact CD1-CH2 3.88Å; F182-W191 HydrophobicContact CD1-CZ2 4.04Å; F182-W191 HydrophobicContact CD2-CZ2 4.22Å; F182-W191 AromaticContact CE1-CH2 3.26Å; F182-W191 HydrophobicContact CE1-CH2 3.26Å; F182-W191 AromaticContact CE1-CZ2 3.77Å; F182-W191 HydrophobicContact CE1-CZ2 3.77Å; F182-W191 HydrophobicContact CE1-CZ3 4.28Å; F182-W191 HydrophobicContact CE2-CH2 4.1Å; F182-W191 AromaticContact CE2-CZ2 3.92Å; F182-W191 HydrophobicContact CE2-CZ2 3.92Å; F182-W191 HydrophobicContact CG-CZ2 4.27Å; F182-W191 AromaticContact CZ-CH2 3.38Å; F182-W191 HydrophobicContact CZ-CH2 3.38Å; F182-W191 AromaticContact CZ-CZ2 3.69Å; F182-W191 HydrophobicContact CZ-CZ2 3.69Å |
| 192 | Q | 50.6 | Low | 54.4 | Low | 147 Ų | 147 | 104.5 Ų | 104.5 | 69% | 0.687 | 59% | 0.585 | S | S | * | * | | | trans | -104 | 59.7 | -176.2 | -66.8 | -178.8 | -44.1 | 0 | 0 | 112.1 | S190 | S190-Q192 PolarHBondContact O-N 3.13Å; S190-Q192 PolarHBondContact OG-OE1 3.18Å; S190-Q192 VanDerWaalsContact OG-OE1 3.1Å |
| 193 | Q | 41.6 | Very low | 55.1 | Low | 171 Ų | 171 | 103.9 Ų | 103.9 | 80% | 0.799 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -153 | 133.5 | 148.1 | -115.8 | 164.1 | 26.6 | 0 | 0 | 110.7 | | |
| 194 | N | 35 | Very low | 56.3 | Low | 165 Ų | 165 | 102.4 Ų | 102.4 | 88% | 0.882 | 57% | 0.57 | S | S | * | * | S | Bend | trans | 73.8 | 44.5 | 173.5 | -46.5 | -52.5 | 0 | 0 | 0 | 118.1 | | |
| 195 | G | 47.7 | Very low | 58 | Low | 64 Ų | 64 | 94.5 Ų | 94.5 | 66% | 0.66 | 53% | 0.534 | S | S | * | . | | | trans | 139.3 | 160.5 | 136.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 196 | V | 44.5 | Very low | 60.1 | Low | 119 Ų | 119 | 91.7 Ų | 91.7 | 72% | 0.721 | 51% | 0.505 | S | S | * | . | | | trans | 68.5 | 131 | 169 | -151.6 | 0 | 0 | 0 | 0 | 116.8 | T198 | V196-T198 WeakPolarHBondContact CG1-OG1 3.22Å; V196-T198 PolarHBondContact O-N 3.26Å |
| 197 | D | 59.6 | Low | 62.3 | Low | 117 Ų | 117 | 95.4 Ų | 95.4 | 63% | 0.626 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | 2 | 179.4 | -53.5 | -78 | 0 | 0 | 0 | 114.9 | Y199 S200 S201 | D197-Y199 VanDerWaalsContact C-N 3.34Å; D197-Y199 PolarHBondContact O-N 3.46Å; D197-S200 WeakPolarHBondContact O-CB 3.4Å; D197-S200 PolarHBondContact O-N 3.32Å; D197-S200 VanDerWaalsContact O-N 3.07Å; D197-S201 PolarHBondContact O-N 3.27Å |
| 198 | T | 62.2 | Low | 64.6 | Low | 42 Ų | 42 | 92.2 Ų | 92.2 | 26% | 0.258 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -46.6 | -52.5 | -176.3 | -51.2 | 0 | 0 | 0 | 0 | 112.4 | L157 V196 L202 | L157-T198 HydrophobicContact CB-CG2 3.78Å; L157-T198 HydrophobicContact CD2-CG2 3.6Å; L157-T198 HydrophobicContact CG-CG2 4.19Å; V196-T198 WeakPolarHBondContact CG1-OG1 3.22Å; V196-T198 PolarHBondContact O-N 3.26Å; T198-L202 PolarHBondContact O-N 3.43Å |
| 199 | Y | 66.5 | Low | 66 | Low | 63 Ų | 63 | 99.6 Ų | 99.6 | 25% | 0.247 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -76.9 | -28.7 | -176.8 | -137.5 | -75.5 | 0 | 0 | 0 | 112.5 | Y158 D197 S201 L202 N203 R217 | Y158-Y199 WeakPolarHBondContact OH-CE2 3.4Å; D197-Y199 VanDerWaalsContact C-N 3.34Å; D197-Y199 PolarHBondContact O-N 3.46Å; Y199-S201 VanDerWaalsContact C-N 3.35Å; Y199-L202 HydrophobicContact CD1-CD2 4.44Å; Y199-L202 HydrophobicContact CE1-CD2 4.18Å; Y199-L202 HydrophobicContact CE2-CD2 4.45Å; Y199-L202 WeakPolarHBondContact O-CB 3.5Å; Y199-L202 PolarHBondContact O-N 2.81Å; Y199-N203 WeakPolarHBondContact CD1-OD1 3.48Å; Y199-N203 WeakPolarHBondContact O-CB 3.37Å; Y199-N203 VanDerWaalsContact O-CG 3.22Å; Y199-N203 PolarHBondContact O-N 2.89Å; Y199-N203 PolarHBondContact O-OD1 3.37Å; Y199-R217 PolarHBondContact OH-NH1 2.95Å; Y199-R217 PolarHBondContact OH-NH2 2.81Å |
| 200 | S | 74.1 | Confident | 67.7 | Low | 78 Ų | 78 | 94.1 Ų | 94.1 | 55% | 0.545 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.1 | -39.4 | 174.7 | -54.2 | 0 | 0 | 0 | 0 | 111.6 | D197 N203 D204 | D197-S200 WeakPolarHBondContact O-CB 3.4Å; D197-S200 PolarHBondContact O-N 3.32Å; D197-S200 VanDerWaalsContact O-N 3.07Å; S200-N203 PolarHBondContact O-N 3.04Å; S200-D204 PolarHBondContact O-N 3.13Å |
| 201 | S | 84.3 | Confident | 69.5 | Low | 29 Ų | 29 | 92.3 Ų | 92.3 | 20% | 0.203 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -71.6 | -31.9 | 176.6 | -163.8 | 0 | 0 | 0 | 0 | 112.7 | H153 D197 Y199 L205 | H153-S201 PolarHBondContact CE1-OG 3.04Å; H153-S201 PolarHBondContact NE2-OG 2.83Å; D197-S201 PolarHBondContact O-N 3.27Å; Y199-S201 VanDerWaalsContact C-N 3.35Å; S201-L205 PolarHBondContact O-N 2.98Å |
| 202 | L | 87.5 | Confident | 71.4 | Confident | 9 Ų | 9 | 89.7 Ų | 89.7 | 5% | 0.047 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -65.3 | -42.3 | 169 | -176.5 | 67.3 | 0 | 0 | 0 | 111.7 | I154 L157 Y158 T198 Y199 L205 L206 | I154-L202 HydrophobicContact CD1-CD1 4.34Å; I154-L202 HydrophobicContact CG1-CD1 3.79Å; L157-L202 HydrophobicContact CD1-CB 4.1Å; L157-L202 HydrophobicContact CD1-CD1 4.48Å; Y158-L202 HydrophobicContact CE2-CD2 3.79Å; Y158-L202 WeakPolarHBondContact OH-CD2 3.45Å; T198-L202 PolarHBondContact O-N 3.43Å; Y199-L202 HydrophobicContact CD1-CD2 4.44Å; Y199-L202 HydrophobicContact CE1-CD2 4.18Å; Y199-L202 HydrophobicContact CE2-CD2 4.45Å; Y199-L202 WeakPolarHBondContact O-CB 3.5Å; Y199-L202 PolarHBondContact O-N 2.81Å; L202-L205 WeakPolarHBondContact O-CB 3.2Å; L202-L205 PolarHBondContact O-N 3.08Å; L202-L206 HydrophobicContact CG-CD1 4.12Å; L202-L206 WeakPolarHBondContact O-CG 3.46Å; L202-L206 PolarHBondContact O-N 3.4Å; L202-L206 VanDerWaalsContact O-N 3.08Å |
| 203 | N | 87.9 | Confident | 73.3 | Confident | 49 Ų | 49 | 84 Ų | 84 | 26% | 0.262 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.3 | -43.1 | 179.6 | -70.3 | -5.7 | 0 | 0 | 0 | 112.1 | Y199 S200 L205 L206 D207 | Y199-N203 WeakPolarHBondContact CD1-OD1 3.48Å; Y199-N203 WeakPolarHBondContact O-CB 3.37Å; Y199-N203 VanDerWaalsContact O-CG 3.22Å; Y199-N203 PolarHBondContact O-N 2.89Å; Y199-N203 PolarHBondContact O-OD1 3.37Å; S200-N203 PolarHBondContact O-N 3.04Å; N203-L205 PolarHBondContact O-N 3.33Å; N203-L206 PolarHBondContact O-N 3.26Å; N203-D207 WeakPolarHBondContact O-CB 3.3Å; N203-D207 PolarHBondContact O-N 3.24Å |
| 204 | D | 87.3 | Confident | 75.5 | Confident | 78 Ų | 78 | 81.5 Ų | 81.5 | 42% | 0.417 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -55.2 | -41 | 172.1 | -180 | 69.8 | 0 | 0 | 0 | 111.4 | S200 L206 R208 | S200-D204 PolarHBondContact O-N 3.13Å; D204-L206 VanDerWaalsContact C-N 3.3Å; D204-L206 PolarHBondContact O-N 2.64Å; D204-R208 WeakPolarHBondContact O-CB 3.4Å; D204-R208 VanDerWaalsContact O-CD 3.24Å; D204-R208 WeakPolarHBondContact O-CD 3.35Å; D204-R208 WeakPolarHBondContact O-CG 3.47Å; D204-R208 PolarHBondContact O-N 3.36Å; D204-R208 VanDerWaalsContact O-N 3.13Å; D204-R208 IonicContact OD1-NE 3.5Å; D204-R208 IonicContact OD2-CZ 3.48Å; D204-R208 VanDerWaalsContact OD2-CZ 3.3Å; D204-R208 IonicContact OD2-NE 3.16Å; D204-R208 PolarHBondContact OD2-NE 2.97Å; D204-R208 IonicContact OD2-NH2 3.39Å; D204-R208 PolarHBondContact OD2-NH2 2.81Å |
| 205 | L | 87.8 | Confident | 78.2 | Confident | 7 Ų | 7 | 77.7 Ų | 77.7 | 4% | 0.037 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -65.3 | -29.9 | 176.9 | 176.4 | 59.7 | 0 | 0 | 0 | 113.4 | P150 I154 S201 L202 N203 S211 V213 | P150-L205 HydrophobicContact CB-CD1 3.67Å; P150-L205 HydrophobicContact CB-CD2 3.54Å; P150-L205 HydrophobicContact CB-CG 4.21Å; I154-L205 HydrophobicContact CD1-CD2 3.93Å; I154-L205 HydrophobicContact CG1-CD2 4.05Å; S201-L205 PolarHBondContact O-N 2.98Å; L202-L205 WeakPolarHBondContact O-CB 3.2Å; L202-L205 PolarHBondContact O-N 3.08Å; N203-L205 PolarHBondContact O-N 3.33Å; L205-S211 WeakPolarHBondContact O-CB 3.37Å; L205-S211 PolarHBondContact O-OG 3.15Å; L205-V213 HydrophobicContact CD2-CG2 4.32Å; L205-V213 HydrophobicContact CG-CB 4.49Å; L205-V213 HydrophobicContact CG-CG2 4.44Å |
| 206 | L | 88.7 | Confident | 80.1 | Confident | 38 Ų | 38 | 81.9 Ų | 81.9 | 20% | 0.199 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -84.9 | -44 | 177.9 | -68.6 | 168.4 | 0 | 0 | 0 | 112.5 | L202 N203 D204 R208 V213 E215 | L202-L206 HydrophobicContact CG-CD1 4.12Å; L202-L206 WeakPolarHBondContact O-CG 3.46Å; L202-L206 PolarHBondContact O-N 3.4Å; L202-L206 VanDerWaalsContact O-N 3.08Å; N203-L206 PolarHBondContact O-N 3.26Å; D204-L206 VanDerWaalsContact C-N 3.3Å; D204-L206 PolarHBondContact O-N 2.64Å; L206-R208 VanDerWaalsContact C-N 3.26Å; L206-R208 PolarHBondContact O-N 2.73Å; L206-V213 HydrophobicContact CD2-CG1 3.89Å; L206-E215 HydrophobicContact CD1-CB 3.93Å; L206-E215 HydrophobicContact CD2-CB 3.94Å |
| 207 | D | 87.1 | Confident | 82.1 | Confident | 135 Ų | 135 | 83.9 Ų | 83.9 | 72% | 0.722 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -72.5 | -18.8 | -177.3 | -69.5 | -33.8 | 0 | 0 | 0 | 112.9 | N203 R209 | N203-D207 WeakPolarHBondContact O-CB 3.3Å; N203-D207 PolarHBondContact O-N 3.24Å; D207-R209 PolarHBondContact O-N 3.18Å |
| 208 | R | 85.7 | Confident | 82.9 | Confident | 101 Ų | 101 | 81.8 Ų | 81.8 | 38% | 0.381 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -54.6 | 108 | 172.6 | -91.3 | 164.3 | -176 | -110.5 | 2.8 | 111.9 | D204 L206 G210 S211 | D204-R208 WeakPolarHBondContact O-CB 3.4Å; D204-R208 VanDerWaalsContact O-CD 3.24Å; D204-R208 WeakPolarHBondContact O-CD 3.35Å; D204-R208 WeakPolarHBondContact O-CG 3.47Å; D204-R208 PolarHBondContact O-N 3.36Å; D204-R208 VanDerWaalsContact O-N 3.13Å; D204-R208 IonicContact OD1-NE 3.5Å; D204-R208 IonicContact OD2-CZ 3.48Å; D204-R208 VanDerWaalsContact OD2-CZ 3.3Å; D204-R208 IonicContact OD2-NE 3.16Å; D204-R208 PolarHBondContact OD2-NE 2.97Å; D204-R208 IonicContact OD2-NH2 3.39Å; D204-R208 PolarHBondContact OD2-NH2 2.81Å; L206-R208 VanDerWaalsContact C-N 3.26Å; L206-R208 PolarHBondContact O-N 2.73Å; R208-G210 PolarHBondContact O-N 3.42Å; R208-S211 VanDerWaalsContact O-CB 3.3Å; R208-S211 WeakPolarHBondContact O-CB 3.21Å; R208-S211 PolarHBondContact O-N 2.98Å |
| 209 | R | 77.3 | Confident | 83.4 | Confident | 251 Ų | 251 | 88.6 Ų | 88.6 | 95% | 0.947 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 102.9 | 176.2 | -173.1 | 177.6 | -174.3 | -86.4 | 0 | 111.8 | D207 | D207-R209 PolarHBondContact O-N 3.18Š|
| 210 | G | 77.4 | Confident | 83.3 | Confident | 82 Ų | 82 | 93.3 Ų | 93.3 | 85% | 0.845 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.9 | 16 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | R208 | R208-G210 PolarHBondContact O-N 3.42Š|
| 211 | S | 83.1 | Confident | 82.9 | Confident | 36 Ų | 36 | 94.6 Ų | 94.6 | 25% | 0.252 | 51% | 0.506 | S | S | . | . | | | trans | -56.2 | 147.7 | 168.6 | -169.9 | 0 | 0 | 0 | 0 | 111.8 | L205 R208 V213 | L205-S211 WeakPolarHBondContact O-CB 3.37Å; L205-S211 PolarHBondContact O-OG 3.15Å; R208-S211 VanDerWaalsContact O-CB 3.3Å; R208-S211 WeakPolarHBondContact O-CB 3.21Å; R208-S211 PolarHBondContact O-N 2.98Å; S211-V213 VanDerWaalsContact C-N 3.28Å; S211-V213 PolarHBondContact OG-N 2.58Å |
| 212 | A | 83.8 | Confident | 82.2 | Confident | 102 Ų | 102 | 97.6 Ų | 97.6 | 84% | 0.843 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -86.3 | 1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 213 | V | 89.7 | Confident | 81.5 | Confident | 29 Ų | 29 | 103.6 Ų | 103.6 | 18% | 0.176 | 55% | 0.554 | C | S | . | * | | | trans | -114.1 | 137.9 | 179 | -179 | 0 | 0 | 0 | 0 | 110.2 | P150 I154 L205 L206 S211 | P150-V213 HydrophobicContact CB-CG2 3.74Å; P150-V213 HydrophobicContact CG-CG2 4.2Å; I154-V213 HydrophobicContact CD1-CG1 3.89Å; I154-V213 HydrophobicContact CD1-CG2 4.15Å; L205-V213 HydrophobicContact CD2-CG2 4.32Å; L205-V213 HydrophobicContact CG-CB 4.49Å; L205-V213 HydrophobicContact CG-CG2 4.44Å; L206-V213 HydrophobicContact CD2-CG1 3.89Å; S211-V213 VanDerWaalsContact C-N 3.28Å; S211-V213 PolarHBondContact OG-N 2.58Å |
| 214 | T | 89.3 | Confident | 80.5 | Confident | 118 Ų | 118 | 110.5 Ų | 110.5 | 72% | 0.724 | 58% | 0.578 | S | S | * | * | | | trans | -132 | 130.2 | 171.4 | 54.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 215 | E | 90.4 | Very high | 78.9 | Confident | 84 Ų | 84 | 113 Ų | 113 | 39% | 0.393 | 59% | 0.591 | S | S | . | * | | | trans | -79.2 | 142.4 | 173.1 | -168.6 | -173.9 | -158.6 | 0 | 0 | 111.1 | L206 R217 | L206-E215 HydrophobicContact CD1-CB 3.93Å; L206-E215 HydrophobicContact CD2-CB 3.94Å; E215-R217 HydrophobicContact CG-CG 4.06Å; E215-R217 IonicContact OE1-CZ 2.73Å; E215-R217 IonicContact OE1-NE 2.73Å; E215-R217 PolarHBondContact OE1-NE 3.02Å; E215-R217 VanDerWaalsContact OE1-NE 3.11Å; E215-R217 IonicContact OE1-NH2 2.97Å; E215-R217 PolarHBondContact OE1-NH2 3.07Å; E215-R217 IonicContact OE2-CZ 2.78Å; E215-R217 IonicContact OE2-NE 3.3Å; E215-R217 PolarHBondContact OE2-NE 2.94Å; E215-R217 IonicContact OE2-NH2 3.82Å; E215-R217 PolarHBondContact OE2-NH2 2.93Å |
| 216 | I | 87.4 | Confident | 77.2 | Confident | 152 Ų | 152 | 118.5 Ų | 118.5 | 78% | 0.779 | 63% | 0.626 | S | S | * | * | | | trans | -128.1 | 108.5 | 170 | -57.3 | 177.6 | 0 | 0 | 0 | 107.8 | | |
| 217 | R | 87.9 | Confident | 75.4 | Confident | 162 Ų | 162 | 122.3 Ų | 122.3 | 61% | 0.611 | 65% | 0.651 | S | S | * | * | | | trans | -91.2 | 102.5 | 179.2 | -62 | -177.8 | -173.4 | -117.2 | -14.2 | 110.3 | Y199 E215 | Y199-R217 PolarHBondContact OH-NH1 2.95Å; Y199-R217 PolarHBondContact OH-NH2 2.81Å; E215-R217 HydrophobicContact CG-CG 4.06Å; E215-R217 IonicContact OE1-CZ 2.73Å; E215-R217 IonicContact OE1-NE 2.73Å; E215-R217 PolarHBondContact OE1-NE 3.02Å; E215-R217 VanDerWaalsContact OE1-NE 3.11Å; E215-R217 IonicContact OE1-NH2 2.97Å; E215-R217 PolarHBondContact OE1-NH2 3.07Å; E215-R217 IonicContact OE2-CZ 2.78Å; E215-R217 IonicContact OE2-NE 3.3Å; E215-R217 PolarHBondContact OE2-NE 2.94Å; E215-R217 IonicContact OE2-NH2 3.82Å; E215-R217 PolarHBondContact OE2-NH2 2.93Å |
| 218 | A | 75.8 | Confident | 73.4 | Confident | 73 Ų | 73 | 122.5 Ų | 122.5 | 60% | 0.603 | 65% | 0.651 | S | S | * | * | | | trans | -88.4 | 128.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110 | V221 | A218-V221 HydrophobicContact CB-CG2 4.32Š|
| 219 | K | 72.3 | Confident | 71.6 | Confident | 185 Ų | 185 | 123 Ų | 123 | 80% | 0.804 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -98.1 | -20.5 | 169.5 | -74.6 | -169.5 | 167.1 | -166.4 | 0 | 113.1 | S188 | S188-K219 PolarHBondContact OG-NZ 3.3Š|
| 220 | E | 64.9 | Low | 70.2 | Confident | 161 Ų | 161 | 122.6 Ų | 122.6 | 75% | 0.752 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -143.6 | 137.4 | -178.5 | -174.4 | -176.7 | 174.8 | 0 | 0 | 107.6 | V222 | E220-V222 HydrophobicContact CG-CG2 4.2Š|
| 221 | V | 66.2 | Low | 68.7 | Low | 105 Ų | 105 | 123.1 Ų | 123.1 | 64% | 0.636 | 66% | 0.659 | S | S | * | * | | | trans | -117.7 | 96.7 | -175.2 | -174.2 | 0 | 0 | 0 | 0 | 111 | A218 I223 | A218-V221 HydrophobicContact CB-CG2 4.32Å; V221-I223 VanDerWaalsContact C-N 3.26Å; V221-I223 HydrophobicContact CG1-CG1 3.89Å; V221-I223 PolarHBondContact O-N 3.19Å |
| 222 | V | 68.8 | Low | 67.2 | Low | 93 Ų | 93 | 130.6 Ų | 130.6 | 56% | 0.564 | 69% | 0.69 | S | S | * | * | | | trans | -48.3 | 59.6 | 165.7 | -112.5 | 0 | 0 | 0 | 0 | 116.5 | E220 Y224 | E220-V222 HydrophobicContact CG-CG2 4.2Å; V222-Y224 HydrophobicContact CB-CE2 4.35Å; V222-Y224 WeakPolarHBondContact O-CD2 3.35Å; V222-Y224 PolarHBondContact O-N 3.24Å |
| 223 | I | 72.3 | Confident | 65.8 | Low | 135 Ų | 135 | 133.5 Ų | 133.5 | 69% | 0.692 | 69% | 0.686 | S | S | * | * | | | trans | -71.6 | 97.6 | 176.7 | -53 | -177.2 | 0 | 0 | 0 | 110.6 | V221 | V221-I223 VanDerWaalsContact C-N 3.26Å; V221-I223 HydrophobicContact CG1-CG1 3.89Å; V221-I223 PolarHBondContact O-N 3.19Å |
| 224 | Y | 66.7 | Low | 63.8 | Low | 193 Ų | 193 | 138.8 Ų | 138.8 | 76% | 0.757 | 71% | 0.713 | S | S | * | * | | | trans | -82.1 | 116.7 | 167.2 | -66.5 | -85.4 | 0 | 0 | 0 | 110.4 | V222 T226 | V222-Y224 HydrophobicContact CB-CE2 4.35Å; V222-Y224 WeakPolarHBondContact O-CD2 3.35Å; V222-Y224 PolarHBondContact O-N 3.24Å; Y224-T226 PolarHBondContact O-N 2.75Å; Y224-T226 VanDerWaalsContact O-N 3.12Å |
| 225 | D | 54.7 | Low | 61.7 | Low | 130 Ų | 130 | 141.1 Ų | 141.1 | 70% | 0.695 | 72% | 0.72 | S | S | * | * | | | trans | -60.1 | 114.1 | 172.2 | -111.7 | -16.7 | 0 | 0 | 0 | 110.4 | T227 | D225-T227 PolarHBondContact O-N 3.44Š|
| 226 | T | 52.5 | Low | 59.1 | Low | 124 Ų | 124 | 142.7 Ų | 142.7 | 76% | 0.761 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -75.6 | 21.7 | -176.3 | 51.6 | 0 | 0 | 0 | 0 | 113.9 | Y224 L228 S229 | Y224-T226 PolarHBondContact O-N 2.75Å; Y224-T226 VanDerWaalsContact O-N 3.12Å; T226-L228 PolarHBondContact O-N 3.27Å; T226-S229 WeakPolarHBondContact O-CB 3.21Å; T226-S229 PolarHBondContact O-N 3Å; T226-S229 VanDerWaalsContact O-N 3.12Å |
| 227 | T | 49.2 | Very low | 56.8 | Low | 118 Ų | 118 | 142 Ų | 142 | 72% | 0.724 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -62.8 | -17.8 | 167.5 | 60.9 | 0 | 0 | 0 | 0 | 112.4 | D225 S229 | D225-T227 PolarHBondContact O-N 3.44Å; T227-S229 PolarHBondContact O-N 3.07Å; T227-S229 VanDerWaalsContact O-N 3.14Å |
| 228 | L | 46.5 | Very low | 54.4 | Low | 138 Ų | 138 | 142.7 Ų | 142.7 | 72% | 0.723 | 76% | 0.758 | S | S | * | * | G | 310 helix | trans | -72.1 | 13.7 | 168.3 | -66.2 | -179.7 | 0 | 0 | 0 | 114.8 | T226 R230 | T226-L228 PolarHBondContact O-N 3.27Å; L228-R230 PolarHBondContact O-N 2.88Å |
| 229 | S | 47.8 | Very low | 52.4 | Low | 111 Ų | 111 | 141.5 Ų | 141.5 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | 54.5 | 168.9 | -163.7 | 0 | 0 | 0 | 0 | 112.8 | T226 T227 | T226-S229 WeakPolarHBondContact O-CB 3.21Å; T226-S229 PolarHBondContact O-N 3Å; T226-S229 VanDerWaalsContact O-N 3.12Å; T227-S229 PolarHBondContact O-N 3.07Å; T227-S229 VanDerWaalsContact O-N 3.14Å |
| 230 | R | 48 | Very low | 50.8 | Low | 244 Ų | 244 | 143 Ų | 143 | 92% | 0.921 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -154 | 8.8 | 166.7 | -125.8 | 177.6 | -167.4 | -173.7 | 4.8 | 117.1 | L228 | L228-R230 PolarHBondContact O-N 2.88Š|
| 231 | S | 44.8 | Very low | 49.8 | Very low | 93 Ų | 93 | 140.8 Ų | 140.8 | 65% | 0.65 | 75% | 0.754 | S | S | * | * | | | trans | -153.4 | 100.7 | 159.7 | 54 | 0 | 0 | 0 | 0 | 110.2 | | |
| 232 | E | 52.4 | Low | 48.4 | Very low | 193 Ų | 193 | 143.2 Ų | 143.2 | 90% | 0.902 | 76% | 0.763 | S | S | * | * | | | trans | -72.8 | 153 | 162.3 | -166.4 | 179.7 | 152.1 | 0 | 0 | 109.1 | | |
| 233 | E | 53.9 | Low | 47.8 | Very low | 163 Ų | 163 | 143.8 Ų | 143.8 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | S | Bend | trans | 77.2 | 143.1 | 177.8 | 111.7 | -169.3 | 155.3 | 0 | 0 | 117.4 | | |
| 234 | N | 49 | Very low | 46.1 | Very low | 140 Ų | 140 | 145.6 Ų | 145.6 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | | | trans | 70.1 | 95.4 | -176.3 | -49.2 | -62.4 | 0 | 0 | 0 | 118 | | |
| 235 | L | 45.3 | Very low | 44.6 | Very low | 167 Ų | 167 | 139.9 Ų | 139.9 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | | | | 174.2 | 77.3 | 112.3 | -92.2 | 174.7 | 0 | 0 | 0 | 111.9 | | |
| 236 | S | 34.5 | Very low | 44.3 | Very low | 117 Ų | 117 | 139.5 Ų | 139.5 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -161.9 | 75.8 | 164 | -86.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 237 | T | 40.2 | Very low | 43.6 | Very low | 136 Ų | 136 | 144.3 Ų | 144.3 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | | | trans | 179.1 | 79.5 | 151 | 18.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 238 | L | 36.8 | Very low | 43.3 | Very low | 177 Ų | 177 | 144.9 Ų | 144.9 | 93% | 0.927 | 79% | 0.787 | S | S | * | * | | | trans | -133.2 | 139.3 | 163.3 | -106.8 | 173.5 | 0 | 0 | 0 | 109.8 | | |
| 239 | G | 33.9 | Very low | 43.1 | Very low | 49 Ų | 49 | 144.8 Ų | 144.8 | 51% | 0.505 | 79% | 0.792 | S | S | . | * | | | trans | 93.6 | 122.4 | -167.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R255 | G239-R255 PolarHBondContact O-NH2 3.28Š|
| 240 | R | 39.4 | Very low | 42.9 | Very low | 216 Ų | 216 | 142.8 Ų | 142.8 | 82% | 0.815 | 79% | 0.789 | S | S | * | * | | | cis | -150.6 | 178 | -4.8 | -94.3 | -177.7 | 173.8 | -118.2 | 6.6 | 106.6 | R255 | R240-R255 VanDerWaalsContact N-NH2 3.17Å; R240-R255 PolarHBondContact O-NH2 2.95Å |
| 241 | P | 43.9 | Very low | 43 | Very low | 115 Ų | 115 | 140.5 Ų | 140.5 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | | | cis | -120.5 | -161.6 | -34.1 | 36.3 | -19.8 | 0 | 0 | 0 | 110 | | |
| 242 | D | 36 | Very low | 43.2 | Very low | 156 Ų | 156 | 139.7 Ų | 139.7 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | | | trans | -136.6 | 154.5 | 163.1 | -143.9 | 27.3 | 0 | 0 | 0 | 108.5 | | |
| 243 | P | 56.5 | Low | 43.1 | Very low | 105 Ų | 105 | 140.4 Ų | 140.4 | 68% | 0.682 | 80% | 0.799 | S | S | * | * | | | trans | -113 | 172 | -164.5 | 41.8 | -34.7 | 0 | 0 | 0 | 115.2 | | |
| 244 | D | 35.7 | Very low | 42.6 | Very low | 173 Ų | 173 | 135.5 Ų | 135.5 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | | | trans | -146.2 | 149 | 146 | -100.2 | -45 | 0 | 0 | 0 | 108.7 | | |
| 245 | G | 35.8 | Very low | 43 | Very low | 72 Ų | 72 | 137 Ų | 137 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | | | trans | -93.8 | -168.2 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 246 | P | 47.3 | Very low | 43.1 | Very low | 123 Ų | 123 | 133.8 Ų | 133.8 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | | | cis | -135.4 | 174.4 | 14.3 | 42.5 | -26.5 | 0 | 0 | 0 | 117.2 | | |
| 247 | R | 38.1 | Very low | 44.2 | Very low | 225 Ų | 225 | 132.4 Ų | 132.4 | 85% | 0.849 | 77% | 0.765 | S | S | * | * | | | trans | 99.7 | 134.2 | 169.7 | -66 | -175.3 | 171.2 | -97.2 | 2.2 | 117.5 | | |
| 248 | D | 42.9 | Very low | 45.1 | Very low | 129 Ų | 129 | 135.8 Ų | 135.8 | 69% | 0.69 | 76% | 0.762 | S | S | * | * | S | Bend | trans | 51.3 | 137.2 | 162.7 | -71.5 | -62.8 | 0 | 0 | 0 | 122.7 | | |
| 249 | T | 42.4 | Very low | 46.1 | Very low | 137 Ų | 137 | 132.9 Ų | 132.9 | 84% | 0.84 | 75% | 0.746 | S | S | * | * | | | trans | 40 | 114.5 | 156.8 | 56.3 | 0 | 0 | 0 | 0 | 119.5 | | |
| 250 | G | 43.4 | Very low | 47.1 | Very low | 69 Ų | 69 | 135.7 Ų | 135.7 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | | | trans | 154.4 | 123.2 | 155.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 251 | E | 51.1 | Low | 48 | Very low | 195 Ų | 195 | 131.6 Ų | 131.6 | 91% | 0.911 | 74% | 0.739 | S | S | * | * | | | trans | -31.6 | 132 | 160.1 | 51.9 | -131.4 | 78.7 | 0 | 0 | 119 | | |
| 252 | G | 49.3 | Very low | 48.7 | Very low | 76 Ų | 76 | 134.2 Ų | 134.2 | 78% | 0.784 | 74% | 0.739 | S | S | * | * | | | trans | 176.2 | 91 | 167.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 253 | Q | 48.8 | Very low | 49.6 | Very low | 208 Ų | 208 | 134.6 Ų | 134.6 | 97% | 0.972 | 73% | 0.733 | S | S | * | * | | | trans | -93.9 | 107.3 | 176.8 | -72.6 | -167.5 | -16.8 | 0 | 0 | 112.9 | | |
| 254 | G | 44.8 | Very low | 49.3 | Very low | 60 Ų | 60 | 136.3 Ų | 136.3 | 62% | 0.619 | 74% | 0.737 | S | S | * | * | | | trans | -75.3 | 162 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | V256 | G254-V256 VanDerWaalsContact C-N 3.31Å; G254-V256 PolarHBondContact O-N 3.48Å |
| 255 | R | 56.9 | Low | 50.1 | Low | 173 Ų | 173 | 132 Ų | 132 | 65% | 0.653 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -3.2 | -166.6 | -71.4 | 174.8 | -91.3 | -165.9 | -0.7 | 116.1 | G239 R240 | G239-R255 PolarHBondContact O-NH2 3.28Å; R240-R255 VanDerWaalsContact N-NH2 3.17Å; R240-R255 PolarHBondContact O-NH2 2.95Å |
| 256 | V | 47.4 | Very low | 50.7 | Low | 98 Ų | 98 | 134.7 Ų | 134.7 | 59% | 0.594 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -32.8 | -168.5 | -173.3 | 0 | 0 | 0 | 0 | 113.7 | G254 R258 I259 | G254-V256 VanDerWaalsContact C-N 3.31Å; G254-V256 PolarHBondContact O-N 3.48Å; V256-R258 PolarHBondContact O-N 2.99Å; V256-I259 PolarHBondContact O-N 2.97Å |
| 257 | S | 56.8 | Low | 50.7 | Low | 89 Ų | 89 | 140.1 Ų | 140.1 | 62% | 0.622 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -54.4 | -30.2 | -176 | -49.7 | 0 | 0 | 0 | 0 | 113.7 | I259 Q261 | S257-I259 VanDerWaalsContact C-N 3.29Å; S257-I259 PolarHBondContact O-N 3.45Å; S257-Q261 VanDerWaalsContact O-CB 3.27Å; S257-Q261 WeakPolarHBondContact O-CB 3.45Å; S257-Q261 PolarHBondContact O-N 3.48Å; S257-Q261 VanDerWaalsContact O-N 3.12Å |
| 258 | R | 60.2 | Low | 51.1 | Low | 206 Ų | 206 | 131.8 Ų | 131.8 | 78% | 0.777 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -71.5 | -17.3 | -177.9 | -131.1 | 174.4 | -167.8 | 162.2 | 3.7 | 114.5 | V256 | V256-R258 PolarHBondContact O-N 2.99Å |
| 259 | I | 58.1 | Low | 51.3 | Low | 117 Ų | 117 | 134.1 Ų | 134.1 | 60% | 0.6 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -90 | -46.5 | 177.4 | -69.3 | 176.8 | 0 | 0 | 0 | 110.5 | V256 S257 Q261 K262 | V256-I259 PolarHBondContact O-N 2.97Å; S257-I259 VanDerWaalsContact C-N 3.29Å; S257-I259 PolarHBondContact O-N 3.45Å; I259-Q261 VanDerWaalsContact C-N 3.34Å; I259-Q261 PolarHBondContact O-N 2.79Å; I259-K262 PolarHBondContact O-N 3.35Å |
| 260 | L | 53.6 | Low | 51.4 | Low | 107 Ų | 107 | 135.8 Ų | 135.8 | 56% | 0.56 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -66.9 | -34.4 | 178.9 | -68.1 | 172.8 | 0 | 0 | 0 | 112.5 | K262 F263 | L260-K262 PolarHBondContact O-N 2.93Å; L260-F263 PolarHBondContact O-N 3.44Å |
| 261 | Q | 59.6 | Low | 51.3 | Low | 130 Ų | 130 | 139.1 Ų | 139.1 | 61% | 0.607 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.1 | -19.3 | 175.3 | -171.4 | 173.7 | 38 | 0 | 0 | 114.4 | S257 I259 C265 | S257-Q261 VanDerWaalsContact O-CB 3.27Å; S257-Q261 WeakPolarHBondContact O-CB 3.45Å; S257-Q261 PolarHBondContact O-N 3.48Å; S257-Q261 VanDerWaalsContact O-N 3.12Å; I259-Q261 VanDerWaalsContact C-N 3.34Å; I259-Q261 PolarHBondContact O-N 2.79Å; Q261-C265 PolarHBondContact O-SG 2.8Å; Q261-C265 VanDerWaalsContact O-SG 3.34Å |
| 262 | K | 58.2 | Low | 50.9 | Low | 171 Ų | 171 | 137.4 Ų | 137.4 | 74% | 0.743 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -16.8 | 173.8 | -72.2 | -169.5 | 175.4 | -178.5 | 0 | 114.4 | I259 L260 | I259-K262 PolarHBondContact O-N 3.35Å; L260-K262 PolarHBondContact O-N 2.93Å |
| 263 | F | 55.4 | Low | 50.5 | Low | 164 Ų | 164 | 142.7 Ų | 142.7 | 72% | 0.719 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | -31 | -176 | -71.1 | -81.9 | 0 | 0 | 0 | 114 | L260 C265 | L260-F263 PolarHBondContact O-N 3.44Å; F263-C265 PolarHBondContact O-N 2.8Å |
| 264 | D | 49.6 | Very low | 50 | Low | 140 Ų | 140 | 138.4 Ų | 138.4 | 75% | 0.749 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -72.3 | -12.6 | 174.8 | -61.3 | -44.3 | 0 | 0 | 0 | 113 | N266 | D264-N266 PolarHBondContact O-N 2.74Š|
| 265 | C | 51.8 | Low | 49.9 | Very low | 84 Ų | 84 | 143.4 Ų | 143.4 | 57% | 0.568 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | 93 | 170.6 | -68.7 | 0 | 0 | 0 | 0 | 111.2 | Q261 F263 | Q261-C265 PolarHBondContact O-SG 2.8Å; Q261-C265 VanDerWaalsContact O-SG 3.34Å; F263-C265 PolarHBondContact O-N 2.8Å |
| 266 | N | 49.5 | Very low | 49.5 | Very low | 127 Ų | 127 | 140.2 Ų | 140.2 | 68% | 0.679 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 101.3 | 61.5 | 163.6 | -52.9 | -85.8 | 0 | 0 | 0 | 118.9 | D264 | D264-N266 PolarHBondContact O-N 2.74Š|
| 267 | Y | 46 | Very low | 49.1 | Very low | 238 Ų | 238 | 141 Ų | 141 | 93% | 0.933 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -78.5 | 108.6 | 138.3 | -99.8 | -84 | 0 | 0 | 0 | 109.6 | | |
| 268 | G | 46.5 | Very low | 48.2 | Very low | 49 Ų | 49 | 141.2 Ų | 141.2 | 51% | 0.505 | 70% | 0.702 | S | S | . | * | | | trans | 80.1 | 103.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 269 | K | 48.5 | Very low | 47.7 | Very low | 178 Ų | 178 | 139.3 Ų | 139.3 | 77% | 0.774 | 71% | 0.707 | S | S | * | * | | | | 53.4 | 123.8 | 50.6 | -47.5 | 173.8 | -175 | 167.5 | 0 | 109.9 | | |
| 270 | L | 43.4 | Very low | 46.8 | Very low | 172 Ų | 172 | 141 Ų | 141 | 90% | 0.901 | 72% | 0.717 | S | S | * | * | | | | -130.2 | -175.7 | 58 | -75.4 | 167.6 | 0 | 0 | 0 | 115.6 | | |
| 271 | Q | 42.9 | Very low | 46.1 | Very low | 140 Ų | 140 | 143.2 Ų | 143.2 | 65% | 0.654 | 73% | 0.728 | S | S | * | * | | | trans | -103.1 | 129.4 | -167.5 | -68 | -79.6 | -79.9 | 0 | 0 | 114 | | |
| 272 | K | 41.2 | Very low | 44.8 | Very low | 158 Ų | 158 | 144 Ų | 144 | 69% | 0.687 | 74% | 0.737 | S | S | * | * | | | | 49.1 | 120.9 | 127 | -59.5 | 177.5 | -178.5 | 150.2 | 0 | 121.1 | | |
| 273 | K | 40.6 | Very low | 43.9 | Very low | 187 Ų | 187 | 144.2 Ų | 144.2 | 81% | 0.813 | 75% | 0.745 | S | S | * | * | | | trans | 98.6 | 142.2 | 137.6 | -63.8 | 146.7 | 62.3 | -170 | 0 | 120.1 | | |
| 274 | S | 38.6 | Very low | 42.8 | Very low | 118 Ų | 118 | 143.4 Ų | 143.4 | 83% | 0.825 | 75% | 0.748 | S | S | * | * | | | trans | 87.2 | 159.5 | 153.9 | -61.5 | 0 | 0 | 0 | 0 | 118.8 | | |
| 275 | H | 43.4 | Very low | 41.8 | Very low | 166 Ų | 166 | 142.1 Ų | 142.1 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | | | trans | -104.3 | 161.2 | -164.4 | -68.2 | -109.8 | 0 | 0 | 0 | 113.7 | | |
| 276 | S | 48.4 | Very low | 40.9 | Very low | 105 Ų | 105 | 143.5 Ų | 143.5 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | | | trans | 71 | 161.9 | 146.4 | 71.8 | 0 | 0 | 0 | 0 | 120.4 | | |
| 277 | T | 39.8 | Very low | 39.9 | Very low | 116 Ų | 116 | 141.5 Ų | 141.5 | 71% | 0.712 | 76% | 0.76 | S | S | * | * | | | trans | 69.1 | 140.8 | -174.2 | 64.5 | 0 | 0 | 0 | 0 | 116 | | |
| 278 | E | 38.1 | Very low | 39.2 | Very low | 93 Ų | 93 | 136 Ų | 136 | 44% | 0.435 | 76% | 0.757 | S | S | . | * | | | cis | -158.8 | 167.1 | -23.9 | 45.9 | -151.5 | 174.6 | 0 | 0 | 110.5 | R390 R391 V392 | E278-R390 VanDerWaalsContact OE1-C 3.27Å; E278-R391 PolarHBondContact OE1-N 3.25Å; E278-R391 WeakPolarHBondContact OE2-CA 3.43Å; E278-R391 PolarHBondContact OE2-N 2.87Å; E278-V392 PolarHBondContact OE2-N 3.13Å |
| 279 | N | 49.2 | Very low | 38.5 | Very low | 165 Ų | 165 | 138.1 Ų | 138.1 | 88% | 0.882 | 77% | 0.77 | S | S | * | * | | | trans | -73.9 | 147.5 | 179.6 | -82.4 | -38.4 | 0 | 0 | 0 | 112.1 | | |
| 280 | L | 38.1 | Very low | 37.7 | Very low | 154 Ų | 154 | 141 Ų | 141 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | | | trans | -148.1 | 124 | 161.4 | -101.4 | 172.2 | 0 | 0 | 0 | 111.6 | | |
| 281 | L | 40.3 | Very low | 37.7 | Very low | 152 Ų | 152 | 137.6 Ų | 137.6 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | | | trans | 64.3 | 108.6 | 164.9 | -45.6 | -177.4 | 0 | 0 | 0 | 115.6 | | |
| 282 | D | 32.1 | Very low | 37.3 | Very low | 147 Ų | 147 | 141.1 Ų | 141.1 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | | | cis | 75.3 | 104.3 | 31.9 | -151.9 | 36.7 | 0 | 0 | 0 | 113.9 | | |
| 283 | L | 37.8 | Very low | 36.8 | Very low | 176 Ų | 176 | 141.3 Ų | 141.3 | 92% | 0.921 | 78% | 0.775 | S | S | * | * | | | trans | -161.6 | 157.7 | 161 | -137.4 | 74.6 | 0 | 0 | 0 | 110.2 | | |
| 284 | D | 32.2 | Very low | 36.2 | Very low | 146 Ų | 146 | 143.9 Ų | 143.9 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | | | trans | -108.1 | 176.9 | -140.8 | -125.6 | -47.6 | 0 | 0 | 0 | 117.2 | | |
| 285 | C | 30.4 | Very low | 35.8 | Very low | 114 Ų | 114 | 142.2 Ų | 142.2 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | | | trans | 73.3 | 133.6 | 158.6 | -78.1 | 0 | 0 | 0 | 0 | 119.4 | | |
| 286 | S | 31.8 | Very low | 35.2 | Very low | 113 Ų | 113 | 143.7 Ų | 143.7 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | | | cis | -167.1 | -176.6 | -2.7 | -149 | 0 | 0 | 0 | 0 | 107.9 | | |
| 287 | A | 29.7 | Very low | 35 | Very low | 84 Ų | 84 | 144.6 Ų | 144.6 | 69% | 0.694 | 78% | 0.78 | S | S | * | * | | | cis | -160.1 | 169.5 | 10.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 288 | S | 31 | Very low | 34.8 | Very low | 124 Ų | 124 | 147.3 Ų | 147.3 | 87% | 0.867 | 79% | 0.785 | S | S | * | * | | | trans | 73.7 | 139 | 166.5 | -144 | 0 | 0 | 0 | 0 | 116.3 | | |
| 289 | A | 30.9 | Very low | 35.6 | Very low | 93 Ų | 93 | 148.3 Ų | 148.3 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | | | cis | -135.7 | 170.2 | 12.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 290 | R | 31.9 | Very low | 34.6 | Very low | 237 Ų | 237 | 146.2 Ų | 146.2 | 89% | 0.894 | 79% | 0.792 | S | S | * | * | | | trans | -123.5 | 179.6 | 176.9 | -101 | -172 | -177.8 | -148.5 | 3.8 | 109.2 | | |
| 291 | P | 44.3 | Very low | 34.5 | Very low | 102 Ų | 102 | 146.9 Ų | 146.9 | 66% | 0.662 | 80% | 0.796 | S | S | * | * | | | cis | -125.3 | -168.6 | -8.3 | 24.5 | 2 | 0 | 0 | 0 | 111.5 | | |
| 292 | R | 33.1 | Very low | 34.4 | Very low | 213 Ų | 213 | 145.9 Ų | 145.9 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | cis | -164.1 | 152.8 | 39.3 | -85.3 | -172.7 | -92.6 | -114.8 | -1.4 | 113.2 | | |
| 293 | H | 31.1 | Very low | 35.2 | Very low | 163 Ų | 163 | 144.5 Ų | 144.5 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | | | trans | 47.4 | 124.7 | 146.1 | -70.4 | -102.3 | 0 | 0 | 0 | 121.8 | | |
| 294 | W | 28.4 | Very low | 34.9 | Very low | 241 Ų | 241 | 144.7 Ų | 144.7 | 91% | 0.913 | 79% | 0.788 | S | S | * | * | | | | 81 | 131 | 77 | -148.2 | -97.6 | 0 | 0 | 0 | 112.3 | | |
| 295 | A | 29.6 | Very low | 35.4 | Very low | 82 Ų | 82 | 143.7 Ų | 143.7 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | | | cis | -151.5 | -175.4 | 42.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 296 | K | 32.1 | Very low | 35.6 | Very low | 197 Ų | 197 | 148.9 Ų | 148.9 | 86% | 0.857 | 79% | 0.793 | S | S | * | * | | | trans | -102.9 | 172.8 | 167.1 | -54.3 | 177.8 | -179.8 | 176.9 | 0 | 110.8 | | |
| 297 | P | 44.3 | Very low | 36.3 | Very low | 124 Ų | 124 | 149.3 Ų | 149.3 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | | | | -147.7 | -177.8 | 87.4 | 38.2 | -19.6 | 0 | 0 | 0 | 116 | | |
| 298 | Q | 35.3 | Very low | 36.2 | Very low | 174 Ų | 174 | 150.3 Ų | 150.3 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | | | trans | -155 | 140.5 | 178.4 | -98.2 | -84.1 | -9.5 | 0 | 0 | 110 | | |
| 299 | P | 53.9 | Low | 37.2 | Very low | 113 Ų | 113 | 149.4 Ų | 149.4 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | | | trans | -138.2 | 127.2 | 145.5 | 25.4 | -5.6 | 0 | 0 | 0 | 113.3 | | |
| 300 | V | 28.8 | Very low | 37.3 | Very low | 122 Ų | 122 | 150.1 Ų | 150.1 | 74% | 0.739 | 79% | 0.785 | S | S | * | * | | | | 75.6 | 123.3 | 84.6 | 172.3 | 0 | 0 | 0 | 0 | 115.9 | | |
| 301 | L | 35.7 | Very low | 37.3 | Very low | 168 Ų | 168 | 145.3 Ų | 145.3 | 88% | 0.88 | 78% | 0.782 | S | S | * | * | | | | -172.7 | 150.4 | 128.6 | -99.7 | 170.9 | 0 | 0 | 0 | 111 | | |
| 302 | V | 37.8 | Very low | 36.5 | Very low | 130 Ų | 130 | 145.5 Ų | 145.5 | 79% | 0.788 | 79% | 0.786 | S | S | * | * | | | trans | -152.9 | 131.2 | -166.1 | -159.3 | 0 | 0 | 0 | 0 | 115.3 | | |
| 303 | P | 48.9 | Very low | 36.4 | Very low | 118 Ų | 118 | 140.6 Ų | 140.6 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | | | trans | -123 | 172 | 161.5 | 37.2 | -25.4 | 0 | 0 | 0 | 115.1 | | |
| 304 | K | 32.7 | Very low | 36.6 | Very low | 180 Ų | 180 | 141 Ų | 141 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | | | trans | -147.2 | 167.3 | 166.9 | -153.9 | 86.7 | 177.7 | -178.4 | 0 | 107.7 | | |
| 305 | P | 42.6 | Very low | 37.4 | Very low | 125 Ų | 125 | 135.6 Ų | 135.6 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | | | | -150.7 | -163.2 | 92.7 | 36.8 | -15.8 | 0 | 0 | 0 | 115.1 | | |
| 306 | R | 33.1 | Very low | 37.5 | Very low | 224 Ų | 224 | 137.1 Ų | 137.1 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | | | trans | -139.1 | 160.8 | 177.3 | -137.2 | -166.9 | -61.7 | -158.6 | 4.2 | 108.3 | | |
| 307 | P | 46.5 | Very low | 37.6 | Very low | 122 Ų | 122 | 133.2 Ų | 133.2 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | | | | -155.3 | -158.1 | 88.5 | 41.3 | -19.5 | 0 | 0 | 0 | 116.1 | | |
| 308 | S | 28.6 | Very low | 37.9 | Very low | 105 Ų | 105 | 133.5 Ų | 133.5 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | | | trans | -124.4 | -158.5 | -174.6 | 54.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 309 | P | 52.3 | Low | 37.6 | Very low | 105 Ų | 105 | 131.5 Ų | 131.5 | 68% | 0.682 | 78% | 0.782 | S | S | * | * | | | cis | -148.6 | -176.7 | 5.5 | 44.3 | -22.9 | 0 | 0 | 0 | 120.3 | | |
| 310 | S | 32.9 | Very low | 36.8 | Very low | 107 Ų | 107 | 135.1 Ų | 135.1 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | | | trans | 69.8 | 160.5 | 152 | 63.6 | 0 | 0 | 0 | 0 | 120.6 | | |
| 311 | V | 30.6 | Very low | 36.8 | Very low | 136 Ų | 136 | 137.9 Ų | 137.9 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | | | cis | -149.8 | 168.8 | 17.8 | -136.7 | 0 | 0 | 0 | 0 | 114.5 | | |
| 312 | S | 29.2 | Very low | 36.6 | Very low | 107 Ų | 107 | 136 Ų | 136 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | | | trans | -5.6 | 158.9 | 158.2 | -150.6 | 0 | 0 | 0 | 0 | 122.2 | | |
| 313 | S | 31.2 | Very low | 37.1 | Very low | 110 Ų | 110 | 135 Ų | 135 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | | | cis | -162.3 | -179.9 | 37.5 | -59.2 | 0 | 0 | 0 | 0 | 115.8 | | |
| 314 | Q | 34 | Very low | 36.4 | Very low | 170 Ų | 170 | 140.4 Ų | 140.4 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | | | trans | -83.9 | 178.9 | 173 | -56.1 | -176.7 | -20.8 | 0 | 0 | 114.2 | | |
| 315 | P | 45.3 | Very low | 36.5 | Very low | 128 Ų | 128 | 138 Ų | 138 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | | | | -150.3 | -160.1 | 87.2 | 42.1 | -22.6 | 0 | 0 | 0 | 116 | | |
| 316 | T | 31.8 | Very low | 36.2 | Very low | 115 Ų | 115 | 137.2 Ų | 137.2 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | | | trans | -129.3 | 157.2 | -167.4 | 50.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 317 | S | 35.2 | Very low | 36.3 | Very low | 114 Ų | 114 | 136.1 Ų | 136.1 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | | | trans | 52.4 | 141.3 | 151.2 | -54.8 | 0 | 0 | 0 | 0 | 123.3 | | |
| 318 | P | 49.5 | Very low | 35.6 | Very low | 130 Ų | 130 | 135.1 Ų | 135.1 | 84% | 0.844 | 79% | 0.79 | S | S | * | * | | | trans | -136.2 | 172.2 | 152.3 | 39.3 | -25.4 | 0 | 0 | 0 | 115.5 | | |
| 319 | V | 28.9 | Very low | 35.6 | Very low | 132 Ų | 132 | 138.1 Ų | 138.1 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | | | trans | -143.8 | 129.5 | -170 | 160.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 320 | F | 36.4 | Very low | 35.3 | Very low | 189 Ų | 189 | 139 Ų | 139 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | | | trans | 45.8 | 149.2 | 152.2 | -90.8 | -81.8 | 0 | 0 | 0 | 126.9 | | |
| 321 | Q | 29.7 | Very low | 35.1 | Very low | 181 Ų | 181 | 140 Ų | 140 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | | | trans | 96.4 | 150 | 152.2 | -77.3 | 173.1 | 93.9 | 0 | 0 | 121.8 | | |
| 322 | T | 31.8 | Very low | 36.2 | Very low | 127 Ų | 127 | 138.2 Ų | 138.2 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | | | trans | -154.2 | 170.6 | -167.6 | 54.5 | 0 | 0 | 0 | 0 | 112 | | |
| 323 | P | 48.9 | Very low | 36.2 | Very low | 110 Ų | 110 | 139.5 Ų | 139.5 | 71% | 0.714 | 77% | 0.774 | S | S | * | * | | | trans | -143.9 | -124.2 | 133.1 | 39.6 | -23 | 0 | 0 | 0 | 116 | | |
| 324 | W | 33.6 | Very low | 36 | Very low | 232 Ų | 232 | 141.4 Ų | 141.4 | 88% | 0.879 | 77% | 0.77 | S | S | * | * | | | trans | -140.3 | -176.2 | -156.3 | -53.6 | -46.7 | 0 | 0 | 0 | 111.9 | | |
| 325 | T | 34.1 | Very low | 36.1 | Very low | 130 Ų | 130 | 140 Ų | 140 | 80% | 0.798 | 76% | 0.764 | S | S | * | * | | | cis | -139.3 | -134.1 | 29.7 | 57.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 326 | S | 36.8 | Very low | 36.5 | Very low | 108 Ų | 108 | 140.1 Ų | 140.1 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | | | cis | -150.9 | -130 | 17.9 | -168.5 | 0 | 0 | 0 | 0 | 113.8 | | |
| 327 | K | 35.5 | Very low | 36.2 | Very low | 200 Ų | 200 | 138.5 Ų | 138.5 | 87% | 0.87 | 77% | 0.77 | S | S | * | * | | | trans | -136.7 | -176.2 | -175.3 | -56.9 | -175.3 | -178.3 | 178.6 | 0 | 110.7 | | |
| 328 | A | 31.3 | Very low | 35.9 | Very low | 102 Ų | 102 | 138.7 Ų | 138.7 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | | | cis | -153 | -153.1 | 14.5 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 329 | K | 29.5 | Very low | 35.9 | Very low | 168 Ų | 168 | 138.4 Ų | 138.4 | 73% | 0.73 | 77% | 0.77 | S | S | * | * | | | trans | -159.3 | 157.7 | -169.7 | 171.8 | 173 | 175 | 179.4 | 0 | 113.8 | | |
| 330 | P | 43.9 | Very low | 35.9 | Very low | 123 Ų | 123 | 140.6 Ų | 140.6 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | | | trans | -139.6 | -174.7 | 131 | 34 | -16.5 | 0 | 0 | 0 | 115.5 | | |
| 331 | Q | 30.1 | Very low | 36.3 | Very low | 127 Ų | 127 | 137.5 Ų | 137.5 | 59% | 0.593 | 77% | 0.77 | S | S | * | * | | | trans | -158.7 | 170.7 | -180 | -131.9 | -109.2 | -53.9 | 0 | 0 | 110.4 | E333 | Q331-E333 VanDerWaalsContact NE2-N 3.15Š|
| 332 | P | 53.1 | Low | 36.4 | Very low | 99 Ų | 99 | 135.6 Ų | 135.6 | 64% | 0.643 | 77% | 0.771 | S | S | * | * | | | | -155.8 | 153.4 | 88.7 | 36.1 | -14.2 | 0 | 0 | 0 | 120.2 | | |
| 333 | E | 28.5 | Very low | 36.3 | Very low | 134 Ų | 134 | 135.1 Ų | 135.1 | 63% | 0.626 | 77% | 0.772 | S | S | * | * | | | trans | 60.3 | 179.7 | 151.8 | -81.8 | 52.7 | -83.3 | 0 | 0 | 120.2 | Q331 | Q331-E333 VanDerWaalsContact NE2-N 3.15Š|
| 334 | H | 27.8 | Very low | 35.5 | Very low | 150 Ų | 150 | 135.8 Ų | 135.8 | 69% | 0.694 | 78% | 0.78 | S | S | * | * | | | cis | -145 | -150.3 | 4.6 | -157.5 | 48 | 0 | 0 | 0 | 115.5 | | |
| 335 | H | 36.5 | Very low | 35.4 | Very low | 142 Ų | 142 | 132.5 Ų | 132.5 | 66% | 0.657 | 77% | 0.772 | S | S | * | * | | | trans | -148.7 | -173.3 | -169 | -29.2 | -53.9 | 0 | 0 | 0 | 113.4 | | |
| 336 | P | 54.4 | Low | 35.3 | Very low | 130 Ų | 130 | 135.1 Ų | 135.1 | 84% | 0.844 | 77% | 0.767 | S | S | * | * | | | cis | -137.3 | -176.9 | -11.6 | 42 | -24.5 | 0 | 0 | 0 | 116.2 | | |
| 337 | G | 24.6 | Very low | 35.2 | Very low | 81 Ų | 81 | 135.8 Ų | 135.8 | 84% | 0.835 | 76% | 0.758 | S | S | * | * | | | trans | 163.1 | 145.2 | 160 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 338 | S | 29.9 | Very low | 35.1 | Very low | 117 Ų | 117 | 135.6 Ų | 135.6 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | | | trans | -155.2 | 168.2 | 168.9 | 73.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 339 | P | 48 | Very low | 35.2 | Very low | 125 Ų | 125 | 137.3 Ų | 137.3 | 81% | 0.812 | 74% | 0.741 | S | S | * | * | | | | -157.4 | -156.5 | 86.2 | 43.3 | -21.4 | 0 | 0 | 0 | 116 | | |
| 340 | Q | 30.3 | Very low | 35.2 | Very low | 178 Ų | 178 | 137.6 Ų | 137.6 | 83% | 0.832 | 74% | 0.744 | S | S | * | * | | | trans | -105 | 166.4 | 179.9 | -63.1 | -175 | -2.1 | 0 | 0 | 114 | | |
| 341 | P | 44.8 | Very low | 34.4 | Very low | 123 Ų | 123 | 135.6 Ų | 135.6 | 80% | 0.799 | 75% | 0.747 | S | S | * | * | | | trans | -96.5 | 155.8 | 171 | 37.2 | -33.3 | 0 | 0 | 0 | 114.4 | | |
| 342 | V | 30.4 | Very low | 34.3 | Very low | 142 Ų | 142 | 133 Ų | 133 | 86% | 0.861 | 75% | 0.754 | S | S | * | * | | | trans | -135.7 | 159.9 | 175.9 | -168.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 343 | S | 30.3 | Very low | 33.2 | Very low | 116 Ų | 116 | 135.3 Ų | 135.3 | 81% | 0.811 | 77% | 0.766 | S | S | * | * | | | trans | -74 | 143.2 | -170.3 | 54.6 | 0 | 0 | 0 | 0 | 116.8 | | |
| 344 | S | 32.5 | Very low | 33.7 | Very low | 125 Ų | 125 | 135.3 Ų | 135.3 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | | | trans | -124.3 | 178.8 | 170.5 | -167.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 345 | F | 30.1 | Very low | 34.4 | Very low | 163 Ų | 163 | 133.8 Ų | 133.8 | 72% | 0.715 | 78% | 0.778 | S | S | * | * | | | trans | -153.3 | 165 | -174.5 | -176.5 | -134.1 | 0 | 0 | 0 | 113.5 | | |
| 346 | R | 33.5 | Very low | 34.1 | Very low | 185 Ų | 185 | 136.6 Ų | 136.6 | 70% | 0.698 | 79% | 0.788 | S | S | * | * | | | trans | 74.2 | 166.3 | 174.2 | -59.2 | -164.3 | -174.9 | -84.2 | 2.3 | 117.9 | | |
| 347 | Q | 33.2 | Very low | 33 | Very low | 121 Ų | 121 | 137.4 Ų | 137.4 | 57% | 0.565 | 79% | 0.785 | S | S | * | * | | | cis | 179.3 | 135.8 | -39.9 | -178.6 | 172.4 | -3.6 | 0 | 0 | 109.9 | | |
| 348 | R | 35.1 | Very low | 33.3 | Very low | 197 Ų | 197 | 141.1 Ų | 141.1 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | | | trans | 65.4 | 164.1 | 169.9 | -84.1 | 168.8 | 172.9 | -164.6 | -1.3 | 115.6 | | |
| 349 | F | 33.1 | Very low | 34.2 | Very low | 138 Ų | 138 | 141 Ų | 141 | 61% | 0.605 | 78% | 0.777 | S | S | * | * | | | cis | -148.1 | 157.3 | 3.7 | -130.8 | -52.1 | 0 | 0 | 0 | 110.9 | | |
| 350 | E | 28.4 | Very low | 33.3 | Very low | 173 Ų | 173 | 140.5 Ų | 140.5 | 81% | 0.808 | 77% | 0.768 | S | S | * | * | | | trans | 49.5 | 132 | 144.7 | -104.5 | 161.4 | -135.5 | 0 | 0 | 124 | | |
| 351 | G | 27.2 | Very low | 33.2 | Very low | 82 Ų | 82 | 142.7 Ų | 142.7 | 85% | 0.845 | 77% | 0.769 | S | S | * | * | | | | 114.1 | 109.9 | 112 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 352 | G | 28 | Very low | 32.5 | Very low | 72 Ų | 72 | 140.5 Ų | 140.5 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | | | trans | 124.6 | 115.2 | 134.7 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 353 | V | 30.3 | Very low | 32.6 | Very low | 147 Ų | 147 | 143 Ų | 143 | 89% | 0.891 | 77% | 0.771 | S | S | * | * | | | trans | 74.7 | 139.8 | 138.8 | -166.3 | 0 | 0 | 0 | 0 | 120.1 | | |
| 354 | V | 39.7 | Very low | 32.5 | Very low | 134 Ų | 134 | 143.4 Ų | 143.4 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | | | trans | -132.5 | 137 | -179.3 | 164.9 | 0 | 0 | 0 | 0 | 104.3 | | |
| 355 | P | 42.3 | Very low | 32.6 | Very low | 118 Ų | 118 | 147 Ų | 147 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | | | | -144.5 | 177.3 | 70.6 | 39.2 | -19.7 | 0 | 0 | 0 | 116.7 | | |
| 356 | K | 31 | Very low | 33.3 | Very low | 201 Ų | 201 | 144.8 Ų | 144.8 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | | | trans | -137.6 | 124.1 | 167.8 | 178.5 | 179.6 | 176.9 | -176.7 | 0 | 109.4 | | |
| 357 | D | 30.3 | Very low | 33 | Very low | 147 Ų | 147 | 142 Ų | 142 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | | | trans | -75.9 | 158.4 | 176.3 | -76.4 | -78 | 0 | 0 | 0 | 114.1 | | |
| 358 | E | 31.9 | Very low | 32.8 | Very low | 159 Ų | 159 | 147.2 Ų | 147.2 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | | | trans | -88.8 | 172.1 | 159.8 | -130.2 | -152.1 | 103.1 | 0 | 0 | 109.3 | D360 | E358-D360 PolarHBondContact OE1-N 3.12Š|
| 359 | P | 46.9 | Very low | 32.5 | Very low | 114 Ų | 114 | 143.8 Ų | 143.8 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | | | | -146.2 | 159.9 | 52.8 | 39.2 | -18.5 | 0 | 0 | 0 | 118.6 | | |
| 360 | D | 29.4 | Very low | 32.5 | Very low | 115 Ų | 115 | 146.8 Ų | 146.8 | 62% | 0.615 | 79% | 0.793 | S | S | * | * | | | trans | 43.6 | 152.6 | 134.9 | -164.4 | 36.2 | 0 | 0 | 0 | 123 | E358 | E358-D360 PolarHBondContact OE1-N 3.12Š|
| 361 | R | 29.6 | Very low | 32.4 | Very low | 225 Ų | 225 | 144 Ų | 144 | 85% | 0.849 | 78% | 0.784 | S | S | * | * | | | trans | 99.9 | 124.1 | 137.4 | -137.4 | 174.9 | -119.9 | -147.4 | -7 | 119.7 | | |
| 362 | G | 28.9 | Very low | 32.4 | Very low | 77 Ų | 77 | 151.5 Ų | 151.5 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | | | trans | 150.5 | 90.8 | 158.8 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 363 | Q | 32 | Very low | 32.2 | Very low | 195 Ų | 195 | 157.4 Ų | 157.4 | 91% | 0.911 | 80% | 0.795 | S | S | * | * | | | trans | -82.9 | 147.1 | 167.5 | -62.1 | 177.9 | -1 | 0 | 0 | 111.4 | | |
| 364 | S | 29.8 | Very low | 32.1 | Very low | 123 Ų | 123 | 154.5 Ų | 154.5 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | | | | 175.7 | 151.4 | 127 | 43.7 | 0 | 0 | 0 | 0 | 114.9 | | |
| 365 | K | 33.4 | Very low | 31.6 | Very low | 200 Ų | 200 | 153.6 Ų | 153.6 | 87% | 0.87 | 79% | 0.786 | S | S | * | * | | | trans | -130.2 | 151.7 | 158.8 | -77.9 | -175.3 | 177.6 | 178.9 | 0 | 104.9 | | |
| 366 | P | 45 | Very low | 30.8 | Very low | 118 Ų | 118 | 156.5 Ų | 156.5 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | | | | -154.8 | 163.7 | 74.2 | 39.8 | -18.5 | 0 | 0 | 0 | 119 | | |
| 367 | T | 27.1 | Very low | 30.9 | Very low | 126 Ų | 126 | 153 Ų | 153 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | | | trans | 28.8 | 125.8 | 137.6 | -46.5 | 0 | 0 | 0 | 0 | 122 | | |
| 368 | R | 29.8 | Very low | 31.1 | Very low | 230 Ų | 230 | 151.9 Ų | 151.9 | 87% | 0.868 | 79% | 0.785 | S | S | * | * | | | trans | -153.2 | 144 | 132.9 | -165.1 | 169.6 | 179.8 | 87.6 | -0.5 | 112.4 | | |
| 369 | E | 27.8 | Very low | 31.6 | Very low | 126 Ų | 126 | 149.5 Ų | 149.5 | 59% | 0.589 | 78% | 0.784 | S | S | * | * | | | trans | -99.2 | 172.3 | 177.8 | 64.8 | -92.1 | 60 | 0 | 0 | 114.1 | | |
| 370 | R | 33 | Very low | 31 | Very low | 201 Ų | 201 | 153.4 Ų | 153.4 | 76% | 0.758 | 79% | 0.789 | S | S | * | * | | | trans | 148.8 | 98 | 133.4 | -174.1 | 104.5 | -82.9 | 155.8 | -4 | 115 | | |
| 371 | D | 26.9 | Very low | 31.4 | Very low | 115 Ų | 115 | 153.3 Ų | 153.3 | 62% | 0.615 | 80% | 0.795 | S | S | * | * | | | trans | 60.2 | 176.2 | 141.5 | -65.2 | -56.3 | 0 | 0 | 0 | 124 | | |
| 372 | W | 26.6 | Very low | 31.3 | Very low | 238 Ų | 238 | 152.4 Ų | 152.4 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | | | trans | -112.6 | 164.8 | -156 | -56.2 | 75.5 | 0 | 0 | 0 | 113.3 | | |
| 373 | E | 24.1 | Very low | 31.3 | Very low | 196 Ų | 196 | 155 Ų | 155 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | | | trans | -147.8 | 155.7 | 140.2 | -162.4 | 144.7 | -132.8 | 0 | 0 | 111.2 | | |
| 374 | A | 29.4 | Very low | 31.5 | Very low | 86 Ų | 86 | 151.4 Ų | 151.4 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | | | trans | -142.5 | 142 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 375 | S | 28 | Very low | 31.2 | Very low | 115 Ų | 115 | 151.5 Ų | 151.5 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | trans | -177.3 | 156 | 172.8 | -82.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 376 | E | 26.8 | Very low | 31.1 | Very low | 179 Ų | 179 | 146.3 Ų | 146.3 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | | | cis | -160.7 | 165.4 | -28 | -158.2 | -179.4 | 174.4 | 0 | 0 | 107.2 | | |
| 377 | V | 32 | Very low | 30.9 | Very low | 129 Ų | 129 | 146.6 Ų | 146.6 | 78% | 0.782 | 78% | 0.781 | S | S | * | * | | | trans | -129.7 | 130.6 | -175.5 | 177.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 378 | P | 34 | Very low | 31 | Very low | 122 Ų | 122 | 146.4 Ų | 146.4 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | | | trans | -125.6 | 158.4 | 153.1 | 7.2 | 15.6 | 0 | 0 | 0 | 114.9 | | |
| 379 | P | 43.3 | Very low | 31 | Very low | 110 Ų | 110 | 141.2 Ų | 141.2 | 71% | 0.714 | 77% | 0.766 | S | S | * | * | | | trans | -134.3 | 165.3 | -160.1 | 41 | -23 | 0 | 0 | 0 | 118.8 | | |
| 380 | K | 33.4 | Very low | 31.1 | Very low | 195 Ų | 195 | 143.2 Ų | 143.2 | 85% | 0.848 | 77% | 0.768 | S | S | * | * | | | trans | 29.3 | 138 | 145.4 | -64.3 | 179.6 | 179.7 | 174.7 | 0 | 122.4 | | |
| 381 | P | 37.8 | Very low | 31.1 | Very low | 114 Ų | 114 | 143 Ų | 143 | 74% | 0.74 | 77% | 0.767 | S | S | * | * | | | trans | -128.4 | 164.2 | 133 | 37.2 | -26.4 | 0 | 0 | 0 | 113.3 | | |
| 382 | K | 27.3 | Very low | 31.2 | Very low | 205 Ų | 205 | 143.1 Ų | 143.1 | 89% | 0.891 | 77% | 0.771 | S | S | * | * | | | cis | -159.1 | 169.3 | -18.1 | -107.7 | 162 | -169.5 | 171 | 0 | 109.4 | | |
| 383 | V | 29.6 | Very low | 31.3 | Very low | 131 Ų | 131 | 142.6 Ų | 142.6 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | | | trans | -97.5 | 167.5 | -175.6 | -141 | 0 | 0 | 0 | 0 | 111.9 | | |
| 384 | P | 37.1 | Very low | 31.8 | Very low | 120 Ų | 120 | 137.3 Ų | 137.3 | 78% | 0.779 | 76% | 0.759 | S | S | * | * | | | | -143 | 172.6 | 90.5 | 39.9 | -23.6 | 0 | 0 | 0 | 113.6 | | |
| 385 | C | 23.6 | Very low | 31.6 | Very low | 125 Ų | 125 | 142.4 Ų | 142.4 | 85% | 0.845 | 77% | 0.769 | S | S | * | * | | | cis | -151.1 | 163.1 | 8.2 | -148.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 386 | S | 30.1 | Very low | 32.1 | Very low | 92 Ų | 92 | 142.9 Ų | 142.9 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | | | trans | -95.3 | -174.7 | 168.2 | -39 | 0 | 0 | 0 | 0 | 111 | | |
| 387 | P | 40.6 | Very low | 32.2 | Very low | 124 Ų | 124 | 140.3 Ų | 140.3 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | | | cis | -111.5 | 165.8 | 35.4 | 3.7 | 22.1 | 0 | 0 | 0 | 114.1 | | |
| 388 | E | 29.1 | Very low | 32.6 | Very low | 121 Ų | 121 | 139 Ų | 139 | 57% | 0.565 | 77% | 0.77 | S | S | * | * | | | cis | 82.1 | 116.9 | 26 | -160.1 | 162.6 | -162.5 | 0 | 0 | 113.7 | R390 | E388-R390 HydrophobicContact CG-CG 4.27Å; E388-R390 IonicContact OE1-CZ 2.93Å; E388-R390 IonicContact OE1-NE 3.23Å; E388-R390 PolarHBondContact OE1-NE 3.14Å; E388-R390 IonicContact OE1-NH2 2.74Å; E388-R390 PolarHBondContact OE1-NH2 3.22Å |
| 389 | T | 29.7 | Very low | 32.6 | Very low | 122 Ų | 122 | 141 Ų | 141 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | | | | -140.3 | 157.8 | 66.3 | 43.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 390 | R | 30.8 | Very low | 32.5 | Very low | 168 Ų | 168 | 141.2 Ų | 141.2 | 63% | 0.634 | 77% | 0.774 | S | S | * | * | | | cis | 83.9 | 137.5 | 41.3 | -59.9 | -176.1 | -173.9 | -165.8 | 7.8 | 114.5 | E278 E388 | E278-R390 VanDerWaalsContact OE1-C 3.27Å; E388-R390 HydrophobicContact CG-CG 4.27Å; E388-R390 IonicContact OE1-CZ 2.93Å; E388-R390 IonicContact OE1-NE 3.23Å; E388-R390 PolarHBondContact OE1-NE 3.14Å; E388-R390 IonicContact OE1-NH2 2.74Å; E388-R390 PolarHBondContact OE1-NH2 3.22Å |
| 391 | R | 33.7 | Very low | 32.6 | Very low | 196 Ų | 196 | 139 Ų | 139 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | | | cis | -174.9 | 170.4 | -16.8 | -96.1 | -167.9 | -164.3 | -124 | 5.7 | 108.8 | E278 | E278-R391 PolarHBondContact OE1-N 3.25Å; E278-R391 WeakPolarHBondContact OE2-CA 3.43Å; E278-R391 PolarHBondContact OE2-N 2.87Å |
| 392 | V | 27.3 | Very low | 32.8 | Very low | 117 Ų | 117 | 137.6 Ų | 137.6 | 71% | 0.709 | 77% | 0.77 | S | S | * | * | | | trans | 93.9 | 150.3 | 150.6 | -171.5 | 0 | 0 | 0 | 0 | 117.6 | E278 | E278-V392 PolarHBondContact OE2-N 3.13Š|
| 393 | R | 29.9 | Very low | 33.6 | Very low | 227 Ų | 227 | 132.7 Ų | 132.7 | 86% | 0.857 | 76% | 0.762 | S | S | * | * | | | cis | -177.6 | 136.1 | -40.3 | -179.4 | 178.4 | -178.8 | 169 | 3.1 | 110.8 | | |
| 394 | A | 34.4 | Very low | 34.3 | Very low | 86 Ų | 86 | 135.3 Ų | 135.3 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | | | trans | 60.4 | 174.4 | 163.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 395 | E | 25.7 | Very low | 34.8 | Very low | 193 Ų | 193 | 136.2 Ų | 136.2 | 90% | 0.902 | 77% | 0.765 | S | S | * | * | | | cis | -130.1 | -175.2 | 7.2 | -69.9 | -176.4 | 124 | 0 | 0 | 113 | | |
| 396 | S | 37.2 | Very low | 36.2 | Very low | 125 Ų | 125 | 133.8 Ų | 133.8 | 87% | 0.874 | 74% | 0.743 | S | S | * | * | | | trans | -108.1 | 140.1 | -174 | -56.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 397 | S | 29 | Very low | 37 | Very low | 125 Ų | 125 | 140.5 Ų | 140.5 | 87% | 0.874 | 76% | 0.755 | S | S | * | * | | | trans | -159.1 | 167 | 150.7 | -160.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 398 | S | 41.7 | Very low | 37.8 | Very low | 100 Ų | 100 | 137.1 Ų | 137.1 | 70% | 0.699 | 74% | 0.737 | S | S | * | * | | | trans | -100 | 153.6 | -172.3 | 56.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 399 | L | 34 | Very low | 39.2 | Very low | 165 Ų | 165 | 133.1 Ų | 133.1 | 86% | 0.864 | 72% | 0.723 | S | S | * | * | | | trans | 175.1 | 168.2 | 143.2 | -95.1 | 173.9 | 0 | 0 | 0 | 109.6 | | |
| 400 | P | 41.1 | Very low | 40.9 | Very low | 114 Ų | 114 | 131.9 Ų | 131.9 | 74% | 0.74 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 150.2 | -157.5 | 32 | -37.2 | 0 | 0 | 0 | 115.8 | | |
| 401 | V | 35.3 | Very low | 43.2 | Very low | 150 Ų | 150 | 130.4 Ų | 130.4 | 91% | 0.909 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 133.2 | -179.8 | 178.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 402 | S | 40.5 | Very low | 45.6 | Very low | 84 Ų | 84 | 124.6 Ų | 124.6 | 59% | 0.587 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 151.5 | -171.7 | -169.7 | 0 | 0 | 0 | 0 | 114.2 | K404 | S402-K404 PolarHBondContact O-N 2.93Š|
| 403 | S | 44.3 | Very low | 48.5 | Very low | 102 Ų | 102 | 121.9 Ų | 121.9 | 71% | 0.713 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -68.3 | 32.1 | -172.5 | -39.1 | 0 | 0 | 0 | 0 | 116.7 | | |
| 404 | K | 45.4 | Very low | 51.4 | Low | 185 Ų | 185 | 113 Ų | 113 | 80% | 0.804 | 65% | 0.649 | S | S | * | * | | | trans | -100.6 | 14.2 | -168.6 | -69.8 | -168.8 | 175.1 | -176.7 | 0 | 116 | S402 | S402-K404 PolarHBondContact O-N 2.93Š|
| 405 | V | 47.2 | Very low | 53.7 | Low | 139 Ų | 139 | 115.5 Ų | 115.5 | 84% | 0.842 | 64% | 0.639 | S | S | * | * | | | trans | -123.7 | 52.8 | 177.6 | -161.7 | 0 | 0 | 0 | 0 | 112 | | |
| 406 | L | 52.3 | Low | 56.7 | Low | 74 Ų | 74 | 110 Ų | 110 | 39% | 0.387 | 62% | 0.621 | S | S | . | * | | | trans | -122.7 | 108.3 | 159.4 | -71 | 172.4 | 0 | 0 | 0 | 107.6 | A408 I414 P416 | L406-A408 PolarHBondContact O-N 3.32Å; L406-A408 VanDerWaalsContact O-N 3.08Å; L406-I414 HydrophobicContact CB-CB 4.46Å; L406-I414 WeakPolarHBondContact CB-O 3.29Å; L406-I414 HydrophobicContact CD1-CG2 4.15Å; L406-I414 WeakPolarHBondContact CD1-O 3.09Å; L406-I414 HydrophobicContact CD2-CB 4.31Å; L406-I414 HydrophobicContact CD2-CG2 3.93Å; L406-P416 HydrophobicContact CD1-CG 4.3Å |
| 407 | R | 48.7 | Very low | 58.9 | Low | 233 Ų | 233 | 105.4 Ų | 105.4 | 88% | 0.879 | 59% | 0.588 | S | S | * | * | | | trans | -71.6 | 102.2 | -177 | 177.5 | -179.4 | -107.4 | 133.9 | -6.2 | 108.7 | S409 | R407-S409 PolarHBondContact O-N 3.36Š|
| 408 | A | 56.3 | Low | 61.7 | Low | 54 Ų | 54 | 104.4 Ų | 104.4 | 45% | 0.446 | 58% | 0.579 | S | S | . | * | | | trans | -59.9 | 127.1 | 172 | 0 | 0 | 0 | 0 | 0 | 110.1 | L406 | L406-A408 PolarHBondContact O-N 3.32Å; L406-A408 VanDerWaalsContact O-N 3.08Å |
| 409 | S | 59.8 | Low | 63.8 | Low | 37 Ų | 37 | 108.4 Ų | 108.4 | 26% | 0.259 | 58% | 0.584 | S | S | . | * | | | trans | -84.7 | 175.9 | 168 | 76.1 | 0 | 0 | 0 | 0 | 109.6 | R407 E411 F412 K451 | R407-S409 PolarHBondContact O-N 3.36Å; S409-E411 PolarHBondContact O-N 3.29Å; S409-E411 PolarHBondContact OG-N 2.91Å; S409-F412 PolarHBondContact N-O 3.04Å; S409-F412 VanDerWaalsContact OG-CD1 3.23Å; S409-F412 WeakPolarHBondContact OG-CD1 3.15Å; S409-F412 WeakPolarHBondContact OG-CD2 3.49Å; S409-F412 WeakPolarHBondContact OG-CE1 3.4Å; S409-F412 VanDerWaalsContact OG-CG 3.29Å; S409-F412 WeakPolarHBondContact OG-CG 3.46Å; S409-F412 PolarHBondContact OG-N 3.26Å; S409-F412 PolarHBondContact OG-O 3.32Å; S409-F412 VanDerWaalsContact OG-O 3.1Å; S409-K451 PolarHBondContact O-NZ 3.04Å |
| 410 | S | 64 | Low | 66.4 | Low | 96 Ų | 96 | 102 Ų | 102 | 67% | 0.671 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -76.4 | -6.4 | 174 | -160.4 | 0 | 0 | 0 | 0 | 113.4 | N453 | S410-N453 PolarHBondContact O-OD1 2.96Š|
| 411 | E | 79 | Confident | 68.7 | Low | 137 Ų | 137 | 100.2 Ų | 100.2 | 64% | 0.64 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -125 | -21.9 | -167.5 | -175.8 | 173.4 | -145.6 | 0 | 0 | 112.4 | S409 K451 | S409-E411 PolarHBondContact O-N 3.29Å; S409-E411 PolarHBondContact OG-N 2.91Å; E411-K451 PolarHBondContact O-N 2.8Å |
| 412 | F | 84.5 | Confident | 71.2 | Confident | 74 Ų | 74 | 95.4 Ų | 95.4 | 33% | 0.325 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 152.4 | 174.8 | 54.1 | -94.3 | 0 | 0 | 0 | 112.1 | S409 I414 V448 V449 | S409-F412 PolarHBondContact N-O 3.04Å; S409-F412 VanDerWaalsContact OG-CD1 3.23Å; S409-F412 WeakPolarHBondContact OG-CD1 3.15Å; S409-F412 WeakPolarHBondContact OG-CD2 3.49Å; S409-F412 WeakPolarHBondContact OG-CE1 3.4Å; S409-F412 VanDerWaalsContact OG-CG 3.29Å; S409-F412 WeakPolarHBondContact OG-CG 3.46Å; S409-F412 PolarHBondContact OG-N 3.26Å; S409-F412 PolarHBondContact OG-O 3.32Å; S409-F412 VanDerWaalsContact OG-O 3.1Å; F412-I414 HydrophobicContact CD2-CD1 4.47Å; F412-I414 HydrophobicContact CD2-CG1 3.9Å; F412-I414 HydrophobicContact CE2-CD1 4.07Å; F412-I414 HydrophobicContact CE2-CG1 4Å; F412-V448 HydrophobicContact CB-CG1 3.79Å; F412-V448 HydrophobicContact CD2-CG1 3.89Å; F412-V448 HydrophobicContact CG-CG1 3.97Å; F412-V449 CarbonylContact C-O 3.56Å; F412-V449 WeakPolarHBondContact CA-O 3.31Å |
| 413 | E | 88.9 | Confident | 73.5 | Confident | 60 Ų | 60 | 98.4 Ų | 98.4 | 28% | 0.28 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 122.4 | 169.2 | -159.7 | 179 | 166.2 | 0 | 0 | 109.5 | R415 V449 | E413-R415 VanDerWaalsContact CD-NH2 3.25Å; E413-R415 HydrophobicContact CG-CG 4.17Å; E413-R415 IonicContact OE1-CZ 2.82Å; E413-R415 IonicContact OE1-NE 3.76Å; E413-R415 PolarHBondContact OE1-NE 3.39Å; E413-R415 IonicContact OE1-NH2 2.74Å; E413-R415 PolarHBondContact OE1-NH2 3.43Å; E413-R415 IonicContact OE2-CZ 2.69Å; E413-R415 IonicContact OE2-NE 2.7Å; E413-R415 PolarHBondContact OE2-NE 3.24Å; E413-R415 IonicContact OE2-NH2 3.11Å; E413-R415 PolarHBondContact OE2-NH2 3.44Å; E413-V449 PolarHBondContact N-O 3.18Å; E413-V449 PolarHBondContact O-N 3.38Å |
| 414 | I | 89.4 | Confident | 75.7 | Confident | 41 Ų | 41 | 101 Ų | 101 | 21% | 0.21 | 52% | 0.515 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 124.6 | 168.8 | -47.8 | -175.7 | 0 | 0 | 0 | 107.3 | L406 F412 F446 V448 | L406-I414 HydrophobicContact CB-CB 4.46Å; L406-I414 WeakPolarHBondContact CB-O 3.29Å; L406-I414 HydrophobicContact CD1-CG2 4.15Å; L406-I414 WeakPolarHBondContact CD1-O 3.09Å; L406-I414 HydrophobicContact CD2-CB 4.31Å; L406-I414 HydrophobicContact CD2-CG2 3.93Å; F412-I414 HydrophobicContact CD2-CD1 4.47Å; F412-I414 HydrophobicContact CD2-CG1 3.9Å; F412-I414 HydrophobicContact CE2-CD1 4.07Å; F412-I414 HydrophobicContact CE2-CG1 4Å; I414-F446 HydrophobicContact CG2-CB 3.8Å; I414-F446 HydrophobicContact CG2-CD2 3.49Å; I414-F446 VanDerWaalsContact CG2-CD2 3.49Å; I414-F446 HydrophobicContact CG2-CE2 4.26Å; I414-F446 HydrophobicContact CG2-CG 3.8Å; I414-V448 HydrophobicContact CG1-CG2 4.33Å |
| 415 | R | 84.3 | Confident | 77.9 | Confident | 137 Ų | 137 | 93.5 Ų | 93.5 | 52% | 0.517 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 155 | 174.1 | -71.1 | -168.9 | 170.8 | 174.5 | 6.6 | 110.6 | E413 S417 F446 T447 | E413-R415 VanDerWaalsContact CD-NH2 3.25Å; E413-R415 HydrophobicContact CG-CG 4.17Å; E413-R415 IonicContact OE1-CZ 2.82Å; E413-R415 IonicContact OE1-NE 3.76Å; E413-R415 PolarHBondContact OE1-NE 3.39Å; E413-R415 IonicContact OE1-NH2 2.74Å; E413-R415 PolarHBondContact OE1-NH2 3.43Å; E413-R415 IonicContact OE2-CZ 2.69Å; E413-R415 IonicContact OE2-NE 2.7Å; E413-R415 PolarHBondContact OE2-NE 3.24Å; E413-R415 IonicContact OE2-NH2 3.11Å; E413-R415 PolarHBondContact OE2-NH2 3.44Å; R415-S417 PolarHBondContact O-N 2.86Å; R415-F446 CarbonylContact O-C 3.51Å; R415-F446 VanDerWaalsContact O-CA 3.23Å; R415-F446 WeakPolarHBondContact O-CA 3.34Å; R415-F446 WeakPolarHBondContact O-CB 3.34Å; R415-T447 PolarHBondContact N-O 2.8Å; R415-T447 PolarHBondContact O-N 2.74Å |
| 416 | P | 87.5 | Confident | 80.1 | Confident | 79 Ų | 79 | 91 Ų | 91 | 51% | 0.513 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 139.2 | 166.6 | -20 | 33.3 | 0 | 0 | 0 | 109.6 | L406 | L406-P416 HydrophobicContact CD1-CG 4.3Å |
| 417 | S | 84.7 | Confident | 81.9 | Confident | 27 Ų | 27 | 93.6 Ų | 93.6 | 19% | 0.189 | 48% | 0.484 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 141.5 | 178.5 | -63.9 | 0 | 0 | 0 | 0 | 110.6 | R415 S445 F446 T447 | R415-S417 PolarHBondContact O-N 2.86Å; S417-S445 WeakPolarHBondContact CB-OG 3.49Å; S417-S445 PolarHBondContact N-O 3.46Å; S417-S445 PolarHBondContact OG-OG 3.25Å; S417-F446 WeakPolarHBondContact OG-CA 3.36Å; S417-F446 PolarHBondContact OG-N 2.86Å; S417-F446 PolarHBondContact OG-O 2.82Å; S417-T447 PolarHBondContact OG-N 2.81Å; S417-T447 PolarHBondContact OG-OG1 3.26Å; S417-T447 VanDerWaalsContact OG-OG1 3.14Å |
| 418 | P | 86.5 | Confident | 84 | Confident | 105 Ų | 105 | 85.9 Ų | 85.9 | 68% | 0.682 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -52.8 | 143.6 | 163.8 | -23.9 | 34.4 | 0 | 0 | 0 | 110.4 | | |
| 419 | K | 86.8 | Confident | 85.8 | Confident | 184 Ų | 184 | 86.6 Ų | 86.6 | 80% | 0.8 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 130.9 | 169.6 | -66.8 | -178 | -179.2 | 179.7 | 0 | 108 | | |
| 420 | P | 88.1 | Confident | 87.4 | Confident | 30 Ų | 30 | 91.2 Ų | 91.2 | 20% | 0.195 | 49% | 0.494 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 137.1 | 172.5 | 30.1 | -33.3 | 0 | 0 | 0 | 109 | A436 R439 | P420-A436 HydrophobicContact CB-CB 3.74Å; P420-A436 HydrophobicContact CG-CB 3.85Å; P420-A436 VanDerWaalsContact CG-O 3.29Å; P420-A436 WeakPolarHBondContact CG-O 3.49Å; P420-R439 HydrophobicContact CG-CB 4.02Å |
| 421 | D | 88.7 | Confident | 88.9 | Confident | 77 Ų | 77 | 94.6 Ų | 94.6 | 41% | 0.412 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -78.3 | 130 | 162.9 | -167 | -21.1 | 0 | 0 | 0 | 107.8 | D423 Q424 I425 | D421-D423 PolarHBondContact OD1-N 3.49Å; D421-Q424 HydrophobicContact CB-CB 4.32Å; D421-Q424 HydrophobicContact CB-CG 4.25Å; D421-Q424 PolarHBondContact OD2-NE2 3.16Å; D421-I425 WeakPolarHBondContact O-CD1 3.27Å; D421-I425 WeakPolarHBondContact O-CG1 3.15Å |
| 422 | I | 88.4 | Confident | 89.6 | Confident | 48 Ų | 48 | 89.5 Ų | 89.5 | 25% | 0.246 | 48% | 0.481 | C | S | . | . | S | Bend | trans | -89.3 | -30.3 | -178.4 | -64.5 | 176.5 | 0 | 0 | 0 | 110.2 | Q424 I425 A436 L440 | I422-Q424 VanDerWaalsContact C-N 3.28Å; I422-Q424 PolarHBondContact O-N 3.03Å; I422-I425 PolarHBondContact O-N 3.01Å; I422-I425 VanDerWaalsContact O-N 3.14Å; I422-A436 HydrophobicContact CG1-CB 4.39Å; I422-L440 HydrophobicContact CD1-CD2 3.98Å |
| 423 | D | 87.7 | Confident | 90 | Very high | 148 Ų | 148 | 89 Ų | 89 | 79% | 0.791 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -20.7 | -174.3 | -58.9 | -23.7 | 0 | 0 | 0 | 111.5 | D421 I425 | D421-D423 PolarHBondContact OD1-N 3.49Å; D423-I425 VanDerWaalsContact C-N 3.33Å |
| 424 | Q | 91.9 | Very high | 90.2 | Very high | 157 Ų | 157 | 88.9 Ų | 88.9 | 73% | 0.734 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -7.5 | 171 | -70.1 | -176.6 | 56.7 | 0 | 0 | 114.1 | D421 I422 | D421-Q424 HydrophobicContact CB-CB 4.32Å; D421-Q424 HydrophobicContact CB-CG 4.25Å; D421-Q424 PolarHBondContact OD2-NE2 3.16Å; I422-Q424 VanDerWaalsContact C-N 3.28Å; I422-Q424 PolarHBondContact O-N 3.03Å |
| 425 | I | 90.6 | Very high | 90.3 | Very high | 26 Ų | 26 | 90.7 Ų | 90.7 | 13% | 0.133 | 50% | 0.496 | C | S | . | . | S | Bend | trans | -97.4 | 120.8 | -178.8 | -53.2 | 174.5 | 0 | 0 | 0 | 109.1 | D421 I422 D423 D429 A432 R433 A436 | D421-I425 WeakPolarHBondContact O-CD1 3.27Å; D421-I425 WeakPolarHBondContact O-CG1 3.15Å; I422-I425 PolarHBondContact O-N 3.01Å; I422-I425 VanDerWaalsContact O-N 3.14Å; D423-I425 VanDerWaalsContact C-N 3.33Å; I425-D429 HydrophobicContact CG2-CB 4.22Å; I425-A432 HydrophobicContact CD1-CB 4.46Å; I425-A432 HydrophobicContact CG2-CB 3.55Å; I425-R433 HydrophobicContact CB-CG 3.95Å; I425-R433 HydrophobicContact CG2-CG 3.52Å; I425-R433 VanDerWaalsContact O-CZ 3.28Å; I425-R433 PolarHBondContact O-NE 2.87Å; I425-R433 PolarHBondContact O-NH2 3.19Å; I425-A436 HydrophobicContact CD1-CB 3.45Å; I425-A436 VanDerWaalsContact CD1-CB 3.45Å |
| 426 | P | 94.1 | Very high | 90.7 | Very high | 88 Ų | 88 | 84.3 Ų | 84.3 | 57% | 0.571 | 47% | 0.472 | S | S | * | . | | | trans | -54.9 | 144.7 | -179.5 | -26.8 | 35 | 0 | 0 | 0 | 113.4 | G428 D429 R433 | P426-G428 PolarHBondContact O-N 2.89Å; P426-G428 VanDerWaalsContact O-N 3.12Å; P426-D429 PolarHBondContact O-N 2.88Å; P426-R433 PolarHBondContact O-NE 3.03Å |
| 427 | D | 89.3 | Confident | 90.9 | Very high | 127 Ų | 127 | 84 Ų | 84 | 68% | 0.679 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -25.5 | 179.6 | -61.9 | -83.9 | 0 | 0 | 0 | 114 | R433 | D427-R433 IonicContact OD1-CZ 3.18Å; D427-R433 IonicContact OD1-NH1 3.51Å; D427-R433 PolarHBondContact OD1-NH1 2.91Å; D427-R433 IonicContact OD1-NH2 2.73Å; D427-R433 PolarHBondContact OD1-NH2 2.85Å; D427-R433 IonicContact OD2-NH2 2.78Å |
| 428 | G | 93.1 | Very high | 91.1 | Very high | 71 Ų | 71 | 88.3 Ų | 88.3 | 73% | 0.732 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -20.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | P426 I430 | P426-G428 PolarHBondContact O-N 2.89Å; P426-G428 VanDerWaalsContact O-N 3.12Å; G428-I430 VanDerWaalsContact C-N 3.34Å; G428-I430 PolarHBondContact O-N 2.93Å; G428-I430 VanDerWaalsContact O-N 3.07Å |
| 429 | D | 95 | Very high | 91.1 | Very high | 70 Ų | 70 | 89.3 Ų | 89.3 | 37% | 0.374 | 48% | 0.477 | S | S | . | . | | | trans | -88.6 | 76 | 179.6 | -166.2 | -15.4 | 0 | 0 | 0 | 111.3 | I425 P426 Q431 A432 R433 | I425-D429 HydrophobicContact CG2-CB 4.22Å; P426-D429 PolarHBondContact O-N 2.88Å; D429-Q431 PolarHBondContact O-N 3.47Å; D429-Q431 PolarHBondContact OD1-N 3.34Å; D429-A432 HydrophobicContact CB-CB 4.16Å; D429-A432 PolarHBondContact O-N 2.73Å; D429-A432 WeakPolarHBondContact OD1-CB 3.45Å; D429-A432 PolarHBondContact OD1-N 2.84Å; D429-A432 WeakPolarHBondContact OD2-CB 3.41Å; D429-R433 WeakPolarHBondContact O-CB 3.42Å; D429-R433 WeakPolarHBondContact O-CG 3.48Å; D429-R433 PolarHBondContact O-N 3.21Å |
| 430 | I | 93.9 | Very high | 91.2 | Very high | 133 Ų | 133 | 84.4 Ų | 84.4 | 68% | 0.682 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -58.7 | -32.5 | 177.4 | -56.4 | 172.8 | 0 | 0 | 0 | 110.9 | G428 A434 | G428-I430 VanDerWaalsContact C-N 3.34Å; G428-I430 PolarHBondContact O-N 2.93Å; G428-I430 VanDerWaalsContact O-N 3.07Å; I430-A434 VanDerWaalsContact O-CB 3.25Å; I430-A434 WeakPolarHBondContact O-CB 3.41Å; I430-A434 PolarHBondContact O-N 3.41Å |
| 431 | Q | 95.3 | Very high | 90.9 | Very high | 167 Ų | 167 | 90 Ų | 90 | 78% | 0.78 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -73.4 | -48.2 | -177.9 | -62.3 | -169.1 | 11.1 | 0 | 0 | 111.5 | D429 R433 A434 L435 | D429-Q431 PolarHBondContact O-N 3.47Å; D429-Q431 PolarHBondContact OD1-N 3.34Å; Q431-R433 VanDerWaalsContact C-N 3.34Å; Q431-R433 PolarHBondContact O-N 3.22Å; Q431-A434 PolarHBondContact O-N 3.2Å; Q431-L435 WeakPolarHBondContact O-CB 3.44Å; Q431-L435 PolarHBondContact O-N 3.26Å |
| 432 | A | 92.9 | Very high | 90.7 | Very high | 30 Ų | 30 | 88.9 Ų | 88.9 | 25% | 0.248 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -63.1 | -40 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | I425 D429 L435 A436 | I425-A432 HydrophobicContact CD1-CB 4.46Å; I425-A432 HydrophobicContact CG2-CB 3.55Å; D429-A432 HydrophobicContact CB-CB 4.16Å; D429-A432 PolarHBondContact O-N 2.73Å; D429-A432 WeakPolarHBondContact OD1-CB 3.45Å; D429-A432 PolarHBondContact OD1-N 2.84Å; D429-A432 WeakPolarHBondContact OD2-CB 3.41Å; A432-L435 PolarHBondContact O-N 2.88Å; A432-A436 VanDerWaalsContact O-CB 3.26Å; A432-A436 WeakPolarHBondContact O-CB 3.33Å; A432-A436 PolarHBondContact O-N 3.12Å |
| 433 | R | 93 | Very high | 90.1 | Very high | 63 Ų | 63 | 96.6 Ų | 96.6 | 24% | 0.238 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -65.4 | -39.4 | 175.2 | -73.1 | -170.8 | 165 | -165.5 | 2.7 | 112.8 | I425 P426 D427 D429 Q431 A436 N437 | I425-R433 HydrophobicContact CB-CG 3.95Å; I425-R433 HydrophobicContact CG2-CG 3.52Å; I425-R433 VanDerWaalsContact O-CZ 3.28Å; I425-R433 PolarHBondContact O-NE 2.87Å; I425-R433 PolarHBondContact O-NH2 3.19Å; P426-R433 PolarHBondContact O-NE 3.03Å; D427-R433 IonicContact OD1-CZ 3.18Å; D427-R433 IonicContact OD1-NH1 3.51Å; D427-R433 PolarHBondContact OD1-NH1 2.91Å; D427-R433 IonicContact OD1-NH2 2.73Å; D427-R433 PolarHBondContact OD1-NH2 2.85Å; D427-R433 IonicContact OD2-NH2 2.78Å; D429-R433 WeakPolarHBondContact O-CB 3.42Å; D429-R433 WeakPolarHBondContact O-CG 3.48Å; D429-R433 PolarHBondContact O-N 3.21Å; Q431-R433 VanDerWaalsContact C-N 3.34Å; Q431-R433 PolarHBondContact O-N 3.22Å; R433-A436 PolarHBondContact O-N 3.01Å; R433-N437 WeakPolarHBondContact O-CB 3.37Å; R433-N437 PolarHBondContact O-N 3.11Å; R433-N437 PolarHBondContact O-ND2 2.73Å |
| 434 | A | 93.6 | Very high | 89.7 | Confident | 59 Ų | 59 | 96.1 Ų | 96.1 | 49% | 0.488 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.1 | -44.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I430 Q431 A436 N437 L438 | I430-A434 VanDerWaalsContact O-CB 3.25Å; I430-A434 WeakPolarHBondContact O-CB 3.41Å; I430-A434 PolarHBondContact O-N 3.41Å; Q431-A434 PolarHBondContact O-N 3.2Å; A434-A436 PolarHBondContact O-N 3.4Å; A434-N437 PolarHBondContact O-N 2.74Å; A434-L438 WeakPolarHBondContact O-CB 3.42Å; A434-L438 PolarHBondContact O-N 2.93Å |
| 435 | L | 91.7 | Very high | 89.4 | Confident | 78 Ų | 78 | 90.4 Ų | 90.4 | 41% | 0.408 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.7 | -36.8 | 177.5 | -176.9 | 59.9 | 0 | 0 | 0 | 112.4 | Q431 A432 R439 | Q431-L435 WeakPolarHBondContact O-CB 3.44Å; Q431-L435 PolarHBondContact O-N 3.26Å; A432-L435 PolarHBondContact O-N 2.88Å; L435-R439 WeakPolarHBondContact O-CB 3.45Å; L435-R439 VanDerWaalsContact O-CG 3.29Å; L435-R439 WeakPolarHBondContact O-CG 3.49Å; L435-R439 PolarHBondContact O-N 3.38Å |
| 436 | A | 91.4 | Very high | 89.2 | Confident | 3 Ų | 3 | 94.7 Ų | 94.7 | 3% | 0.025 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -65.3 | -48.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | P420 I422 I425 A432 R433 A434 L438 R439 L440 | P420-A436 HydrophobicContact CB-CB 3.74Å; P420-A436 HydrophobicContact CG-CB 3.85Å; P420-A436 VanDerWaalsContact CG-O 3.29Å; P420-A436 WeakPolarHBondContact CG-O 3.49Å; I422-A436 HydrophobicContact CG1-CB 4.39Å; I425-A436 HydrophobicContact CD1-CB 3.45Å; I425-A436 VanDerWaalsContact CD1-CB 3.45Å; A432-A436 VanDerWaalsContact O-CB 3.26Å; A432-A436 WeakPolarHBondContact O-CB 3.33Å; A432-A436 PolarHBondContact O-N 3.12Å; R433-A436 PolarHBondContact O-N 3.01Å; A434-A436 PolarHBondContact O-N 3.4Å; A436-L438 VanDerWaalsContact C-N 3.34Å; A436-L438 PolarHBondContact O-N 2.77Å; A436-R439 PolarHBondContact O-N 3.42Å; A436-L440 WeakPolarHBondContact O-CB 3.43Å; A436-L440 PolarHBondContact O-N 2.85Å |
| 437 | N | 91.6 | Very high | 88.9 | Confident | 74 Ų | 74 | 93.4 Ų | 93.4 | 40% | 0.396 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.8 | -43 | 174.8 | -81.2 | -69.6 | 0 | 0 | 0 | 111.9 | R433 A434 R439 L440 Q441 | R433-N437 WeakPolarHBondContact O-CB 3.37Å; R433-N437 PolarHBondContact O-N 3.11Å; R433-N437 PolarHBondContact O-ND2 2.73Å; A434-N437 PolarHBondContact O-N 2.74Å; N437-R439 PolarHBondContact O-N 2.84Å; N437-L440 PolarHBondContact O-N 3.27Å; N437-Q441 WeakPolarHBondContact O-CG 3.41Å; N437-Q441 PolarHBondContact O-N 3.05Å |
| 438 | L | 89.4 | Confident | 89 | Confident | 117 Ų | 117 | 90.8 Ų | 90.8 | 61% | 0.613 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.8 | -41 | 175.8 | -177.3 | 61.7 | 0 | 0 | 0 | 112.4 | A434 A436 S442 | A434-L438 WeakPolarHBondContact O-CB 3.42Å; A434-L438 PolarHBondContact O-N 2.93Å; A436-L438 VanDerWaalsContact C-N 3.34Å; A436-L438 PolarHBondContact O-N 2.77Å; L438-S442 WeakPolarHBondContact O-CB 3.46Å; L438-S442 PolarHBondContact O-N 2.86Å |
| 439 | R | 87.3 | Confident | 88.7 | Confident | 125 Ų | 125 | 90.8 Ų | 90.8 | 47% | 0.472 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.4 | -32.3 | 174.2 | -76.3 | 171.4 | 177.2 | 173.9 | -0.3 | 112.8 | P420 L435 A436 N437 | P420-R439 HydrophobicContact CG-CB 4.02Å; L435-R439 WeakPolarHBondContact O-CB 3.45Å; L435-R439 VanDerWaalsContact O-CG 3.29Å; L435-R439 WeakPolarHBondContact O-CG 3.49Å; L435-R439 PolarHBondContact O-N 3.38Å; A436-R439 PolarHBondContact O-N 3.42Å; N437-R439 PolarHBondContact O-N 2.84Å |
| 440 | L | 87.3 | Confident | 88.3 | Confident | 81 Ų | 81 | 92.1 Ų | 92.1 | 42% | 0.424 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -73.7 | -38.3 | 177.7 | -172.8 | 64.4 | 0 | 0 | 0 | 112.4 | I422 A436 N437 | I422-L440 HydrophobicContact CD1-CD2 3.98Å; A436-L440 WeakPolarHBondContact O-CB 3.43Å; A436-L440 PolarHBondContact O-N 2.85Å; N437-L440 PolarHBondContact O-N 3.27Å |
| 441 | Q | 83.8 | Confident | 87.5 | Confident | 148 Ų | 148 | 89.3 Ų | 89.3 | 69% | 0.692 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -76.8 | -30.5 | 175.6 | -61.4 | -58.5 | -30.9 | 0 | 0 | 112.6 | N437 K443 | N437-Q441 WeakPolarHBondContact O-CG 3.41Å; N437-Q441 PolarHBondContact O-N 3.05Å; Q441-K443 PolarHBondContact O-N 3.07Å; Q441-K443 VanDerWaalsContact O-N 3.16Å |
| 442 | S | 83.1 | Confident | 86.4 | Confident | 53 Ų | 53 | 92 Ų | 92 | 37% | 0.371 | 47% | 0.468 | S | S | . | . | | | trans | -78.8 | 97.8 | 179.1 | -174.1 | 0 | 0 | 0 | 0 | 112.6 | L438 N444 S445 | L438-S442 WeakPolarHBondContact O-CB 3.46Å; L438-S442 PolarHBondContact O-N 2.86Å; S442-N444 PolarHBondContact O-N 3.21Å; S442-S445 PolarHBondContact O-N 3.38Å |
| 443 | K | 75.2 | Confident | 84.5 | Confident | 210 Ų | 210 | 96.1 Ų | 96.1 | 91% | 0.913 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -1.6 | 171.5 | -63 | -179.6 | -178.4 | 175.2 | 0 | 114.6 | Q441 | Q441-K443 PolarHBondContact O-N 3.07Å; Q441-K443 VanDerWaalsContact O-N 3.16Å |
| 444 | N | 80.4 | Confident | 82.7 | Confident | 139 Ų | 139 | 100.2 Ų | 100.2 | 74% | 0.743 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.8 | 17.8 | -171.9 | -133 | 69.6 | 0 | 0 | 0 | 113.3 | S442 | S442-N444 PolarHBondContact O-N 3.21Š|
| 445 | S | 85.6 | Confident | 80.3 | Confident | 36 Ų | 36 | 105.8 Ų | 105.8 | 25% | 0.252 | 53% | 0.528 | S | S | . | . | | | trans | -73.5 | 132.5 | 176 | -168.1 | 0 | 0 | 0 | 0 | 111.9 | S417 S442 | S417-S445 WeakPolarHBondContact CB-OG 3.49Å; S417-S445 PolarHBondContact N-O 3.46Å; S417-S445 PolarHBondContact OG-OG 3.25Å; S442-S445 PolarHBondContact O-N 3.38Å |
| 446 | F | 87.1 | Confident | 77.8 | Confident | 117 Ų | 117 | 107.9 Ų | 107.9 | 51% | 0.513 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 154.8 | 175.3 | 64.9 | -96.7 | 0 | 0 | 0 | 112 | I414 R415 S417 V448 | I414-F446 HydrophobicContact CG2-CB 3.8Å; I414-F446 HydrophobicContact CG2-CD2 3.49Å; I414-F446 VanDerWaalsContact CG2-CD2 3.49Å; I414-F446 HydrophobicContact CG2-CE2 4.26Å; I414-F446 HydrophobicContact CG2-CG 3.8Å; R415-F446 CarbonylContact O-C 3.51Å; R415-F446 VanDerWaalsContact O-CA 3.23Å; R415-F446 WeakPolarHBondContact O-CA 3.34Å; R415-F446 WeakPolarHBondContact O-CB 3.34Å; S417-F446 WeakPolarHBondContact OG-CA 3.36Å; S417-F446 PolarHBondContact OG-N 2.86Å; S417-F446 PolarHBondContact OG-O 2.82Å; F446-V448 HydrophobicContact CD2-CG2 3.97Å; F446-V448 HydrophobicContact CE2-CG2 3.84Å |
| 447 | T | 87.2 | Confident | 75.1 | Confident | 60 Ų | 60 | 113.7 Ų | 113.7 | 37% | 0.368 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.2 | 136.9 | 173.6 | -60 | 0 | 0 | 0 | 0 | 108.5 | R415 S417 V449 | R415-T447 PolarHBondContact N-O 2.8Å; R415-T447 PolarHBondContact O-N 2.74Å; S417-T447 PolarHBondContact OG-N 2.81Å; S417-T447 PolarHBondContact OG-OG1 3.26Å; S417-T447 VanDerWaalsContact OG-OG1 3.14Å; T447-V449 HydrophobicContact CG2-CG2 4.22Å |
| 448 | V | 90.8 | Very high | 72.4 | Confident | 73 Ų | 73 | 116.3 Ų | 116.3 | 44% | 0.442 | 60% | 0.599 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.9 | 122.6 | 175.4 | -174.7 | 0 | 0 | 0 | 0 | 108.6 | F412 I414 F446 | F412-V448 HydrophobicContact CB-CG1 3.79Å; F412-V448 HydrophobicContact CD2-CG1 3.89Å; F412-V448 HydrophobicContact CG-CG1 3.97Å; I414-V448 HydrophobicContact CG1-CG2 4.33Å; F446-V448 HydrophobicContact CD2-CG2 3.97Å; F446-V448 HydrophobicContact CE2-CG2 3.84Å |
| 449 | V | 86.8 | Confident | 69.7 | Low | 71 Ų | 71 | 115.1 Ų | 115.1 | 43% | 0.43 | 61% | 0.606 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.9 | 109.5 | -177.4 | -176.8 | 0 | 0 | 0 | 0 | 108.9 | F412 E413 T447 K451 | F412-V449 CarbonylContact C-O 3.56Å; F412-V449 WeakPolarHBondContact CA-O 3.31Å; E413-V449 PolarHBondContact N-O 3.18Å; E413-V449 PolarHBondContact O-N 3.38Å; T447-V449 HydrophobicContact CG2-CG2 4.22Å; V449-K451 PolarHBondContact O-N 3.09Å |
| 450 | P | 86.1 | Confident | 67.1 | Low | 97 Ų | 97 | 114 Ų | 114 | 63% | 0.63 | 62% | 0.623 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -60.3 | 133.4 | 175.9 | -25.2 | 35.3 | 0 | 0 | 0 | 112.1 | | |
| 451 | K | 78.4 | Confident | 64.5 | Low | 75 Ų | 75 | 118.2 Ų | 118.2 | 33% | 0.326 | 64% | 0.644 | S | S | . | * | | | trans | -90 | 119.4 | 173.7 | -66.6 | 177.8 | 179 | 177.8 | 0 | 108.7 | S409 E411 V449 N453 | S409-K451 PolarHBondContact O-NZ 3.04Å; E411-K451 PolarHBondContact O-N 2.8Å; V449-K451 PolarHBondContact O-N 3.09Å; K451-N453 PolarHBondContact O-N 2.82Å |
| 452 | R | 70.9 | Confident | 62.4 | Low | 224 Ų | 224 | 115.6 Ų | 115.6 | 85% | 0.845 | 64% | 0.643 | S | S | * | * | | | trans | -82.1 | 108.1 | 173.3 | -65.4 | -176.9 | 176.7 | 91.2 | -1.8 | 108.8 | L454 | R452-L454 PolarHBondContact O-N 3.1Š|
| 453 | N | 54 | Low | 60.2 | Low | 116 Ų | 116 | 119.3 Ų | 119.3 | 62% | 0.62 | 67% | 0.665 | S | S | * | * | | | trans | -74.7 | 119.4 | 175.5 | -67.9 | -15.9 | 0 | 0 | 0 | 109.5 | S410 K451 | S410-N453 PolarHBondContact O-OD1 2.96Å; K451-N453 PolarHBondContact O-N 2.82Å |
| 454 | L | 54.5 | Low | 58.1 | Low | 149 Ų | 149 | 112 Ų | 112 | 78% | 0.78 | 65% | 0.65 | S | S | * | * | | | trans | -117.3 | 87.4 | -179.9 | -92.6 | 164.2 | 0 | 0 | 0 | 109.8 | R452 | R452-L454 PolarHBondContact O-N 3.1Š|
| 455 | Q | 43.9 | Very low | 57 | Low | 176 Ų | 176 | 111.4 Ų | 111.4 | 82% | 0.822 | 65% | 0.653 | S | S | * | * | | | trans | -176.6 | 142.5 | 165.4 | -101 | 138.7 | 90.1 | 0 | 0 | 106.3 | | |
| 456 | D | 38.4 | Very low | 54.9 | Low | 122 Ų | 122 | 115.5 Ų | 115.5 | 65% | 0.652 | 68% | 0.68 | S | S | * | * | | | cis | -145.2 | 150.9 | 12.7 | -108.4 | -51.9 | 0 | 0 | 0 | 113.6 | | |
| 457 | S | 35.1 | Very low | 52.5 | Low | 124 Ų | 124 | 114.7 Ų | 114.7 | 87% | 0.867 | 69% | 0.688 | S | S | * | * | | | trans | -168.3 | 112.1 | 148.6 | -82.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 458 | T | 34.9 | Very low | 50 | Low | 130 Ų | 130 | 118 Ų | 118 | 80% | 0.798 | 71% | 0.711 | S | S | * | * | | | trans | -129.5 | 110.2 | -171.8 | -64.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 459 | A | 33.8 | Very low | 47 | Very low | 92 Ų | 92 | 120.9 Ų | 120.9 | 76% | 0.76 | 73% | 0.729 | S | S | * | * | | | trans | -171.4 | 122.4 | 151.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 460 | A | 32.3 | Very low | 44.4 | Very low | 102 Ų | 102 | 127.4 Ų | 127.4 | 84% | 0.843 | 75% | 0.751 | S | S | * | * | | | trans | 39.9 | 132.3 | 162 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 461 | I | 32.7 | Very low | 41.7 | Very low | 168 Ų | 168 | 128.4 Ų | 128.4 | 86% | 0.862 | 76% | 0.76 | S | S | * | * | | | cis | -135.6 | 147.9 | 29.9 | -69.2 | 170.5 | 0 | 0 | 0 | 110.2 | | |
| 462 | S | 39.4 | Very low | 39.4 | Very low | 94 Ų | 94 | 130 Ų | 130 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | | | trans | -98.6 | 154.5 | 172.6 | -166.7 | 0 | 0 | 0 | 0 | 110.8 | G464 | S462-G464 PolarHBondContact OG-N 3.47Š|
| 463 | P | 35.8 | Very low | 38 | Very low | 130 Ų | 130 | 124.2 Ų | 124.2 | 84% | 0.844 | 77% | 0.772 | S | S | * | * | | | | -127.8 | 146.4 | 99.2 | 36.1 | -30.7 | 0 | 0 | 0 | 113.9 | | |
| 464 | G | 31.7 | Very low | 36.7 | Very low | 58 Ų | 58 | 126.6 Ų | 126.6 | 60% | 0.598 | 78% | 0.784 | S | S | * | * | | | trans | -86.8 | -176.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | S462 | S462-G464 PolarHBondContact OG-N 3.47Š|
| 465 | P | 56.7 | Low | 36.2 | Very low | 125 Ų | 125 | 125.4 Ų | 125.4 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | | | trans | -81.8 | -179.9 | -172.2 | 36.4 | -38.4 | 0 | 0 | 0 | 113 | | |
| 466 | P | 41.9 | Very low | 35.4 | Very low | 123 Ų | 123 | 120.6 Ų | 120.6 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | | | | -137.6 | 155.6 | 113.9 | 38.3 | -29.3 | 0 | 0 | 0 | 115 | | |
| 467 | S | 36 | Very low | 34.9 | Very low | 100 Ų | 100 | 121.3 Ų | 121.3 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 149.2 | 160.8 | 51 | 0 | 0 | 0 | 0 | 111.3 | | |
| 468 | P | 35.3 | Very low | 35.1 | Very low | 130 Ų | 130 | 121.3 Ų | 121.3 | 84% | 0.844 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 136.2 | 167.2 | 32.5 | -30.7 | 0 | 0 | 0 | 111.7 | | |
| 469 | T | 28.5 | Very low | 34.8 | Very low | 132 Ų | 132 | 121.2 Ų | 121.2 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 168.2 | 179.8 | -50.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 470 | K | 32.9 | Very low | 35.3 | Very low | 208 Ų | 208 | 122.4 Ų | 122.4 | 90% | 0.904 | 79% | 0.788 | S | S | * | * | | | trans | -93.7 | 107.1 | -175.1 | -174.4 | -179.8 | -176.2 | 178.8 | 0 | 112.4 | | |
| 471 | S | 28.4 | Very low | 36 | Very low | 118 Ų | 118 | 121.9 Ų | 121.9 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | | | trans | -153.2 | 166.5 | 171.8 | 54.9 | 0 | 0 | 0 | 0 | 113.4 | | |
| 472 | S | 29.4 | Very low | 35.9 | Very low | 110 Ų | 110 | 122.8 Ų | 122.8 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | | | trans | -110.5 | -164 | -169.7 | 50.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 473 | P | 41.8 | Very low | 35.6 | Very low | 101 Ų | 101 | 123.2 Ų | 123.2 | 66% | 0.656 | 78% | 0.779 | S | S | * | * | | | | -132.3 | 159.1 | -65.1 | 36.5 | -21.5 | 0 | 0 | 0 | 115.7 | | |
| 474 | L | 28.2 | Very low | 35.9 | Very low | 166 Ų | 166 | 122.2 Ų | 122.2 | 87% | 0.869 | 77% | 0.773 | S | S | * | * | | | trans | 62.2 | 173.1 | 159 | -71.6 | 163.8 | 0 | 0 | 0 | 117.8 | | |
| 475 | P | 43.7 | Very low | 35.9 | Very low | 124 Ų | 124 | 127.1 Ų | 127.1 | 81% | 0.805 | 78% | 0.782 | S | S | * | * | | | cis | -124.9 | 170.8 | -38.9 | 36.2 | -22 | 0 | 0 | 0 | 113.4 | | |
| 476 | G | 27.5 | Very low | 34.7 | Very low | 75 Ų | 75 | 129.8 Ų | 129.8 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | | | trans | 177.4 | 130.4 | 168 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 477 | V | 27.8 | Very low | 34.3 | Very low | 138 Ų | 138 | 132.5 Ų | 132.5 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | | | trans | -145.3 | 134 | -176 | 167.1 | 0 | 0 | 0 | 0 | 105.9 | | |
| 478 | P | 38 | Very low | 34 | Very low | 123 Ų | 123 | 135.2 Ų | 135.2 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | | | | -152.1 | 166.2 | 74.2 | 41.9 | -21.3 | 0 | 0 | 0 | 119.8 | | |
| 479 | T | 28.4 | Very low | 33.9 | Very low | 129 Ų | 129 | 135 Ų | 135 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | | | trans | -85.6 | -172.6 | 160.7 | 39.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 480 | P | 45.1 | Very low | 34.1 | Very low | 116 Ų | 116 | 136 Ų | 136 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | | | cis | -138.3 | -145.4 | 15.6 | 47 | -25 | 0 | 0 | 0 | 111.8 | | |
| 481 | P | 47.4 | Very low | 33.8 | Very low | 92 Ų | 92 | 133.7 Ų | 133.7 | 60% | 0.597 | 75% | 0.753 | S | S | * | * | | | cis | -132 | 158.4 | -16.8 | 29.2 | -7.7 | 0 | 0 | 0 | 116.4 | | |
| 482 | H | 30.8 | Very low | 33.9 | Very low | 186 Ų | 186 | 133.9 Ų | 133.9 | 86% | 0.861 | 75% | 0.749 | S | S | * | * | | | | 169.1 | 160.5 | 114.8 | -92.5 | -75 | 0 | 0 | 0 | 112 | | |
| 483 | S | 33 | Very low | 33.8 | Very low | 103 Ų | 103 | 135 Ų | 135 | 72% | 0.72 | 74% | 0.742 | S | S | * | * | | | trans | -131.5 | -178 | -169.3 | 73.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 484 | P | 41.5 | Very low | 33.2 | Very low | 110 Ų | 110 | 137.5 Ų | 137.5 | 71% | 0.714 | 74% | 0.742 | S | S | * | * | | | cis | -108.9 | -174.2 | 16.7 | 9.2 | 17.7 | 0 | 0 | 0 | 112.4 | | |
| 485 | M | 31.7 | Very low | 33.1 | Very low | 160 Ų | 160 | 138.8 Ų | 138.8 | 79% | 0.788 | 74% | 0.741 | S | S | * | * | | | cis | -157.5 | -164.1 | -3.9 | -121.9 | 178.4 | -161 | 0 | 0 | 107.3 | | |
| 486 | K | 31.8 | Very low | 32.4 | Very low | 181 Ų | 181 | 142 Ų | 142 | 79% | 0.787 | 74% | 0.742 | S | S | * | * | | | cis | -143 | -128.3 | 6.5 | -146.3 | 151.9 | -171.7 | 172 | 0 | 111.8 | | |
| 487 | K | 32.5 | Very low | 32.5 | Very low | 180 Ų | 180 | 146.4 Ų | 146.4 | 78% | 0.783 | 74% | 0.743 | S | S | * | * | | | trans | -152.2 | 168.3 | -178.8 | -62.4 | -166.9 | 176.9 | -172 | 0 | 109 | | |
| 488 | K | 30.3 | Very low | 33.2 | Very low | 157 Ų | 157 | 146 Ų | 146 | 68% | 0.683 | 74% | 0.743 | S | S | * | * | | | cis | -144.4 | 135.5 | 27.6 | -80.1 | -178.8 | 152.2 | -78.8 | 0 | 111.3 | | |
| 489 | E | 32.8 | Very low | 32.6 | Very low | 126 Ų | 126 | 147.6 Ų | 147.6 | 59% | 0.589 | 74% | 0.74 | S | S | * | * | | | | 79.7 | 113.3 | 103.9 | -62.7 | 157.7 | -165 | 0 | 0 | 114.3 | | |
| 490 | E | 32.7 | Very low | 32.8 | Very low | 153 Ų | 153 | 147 Ų | 147 | 72% | 0.715 | 74% | 0.736 | S | S | * | * | | | | 89.3 | 136.4 | 80.1 | -145.7 | -167.5 | 129.5 | 0 | 0 | 111.1 | | |
| 491 | K | 27.3 | Very low | 33.1 | Very low | 160 Ų | 160 | 146.8 Ų | 146.8 | 70% | 0.696 | 73% | 0.734 | S | S | * | * | | | cis | -153.5 | 140.5 | 29.2 | -152.5 | -179.2 | -163.2 | 83 | 0 | 108.3 | | |
| 492 | V | 30 | Very low | 33 | Very low | 122 Ų | 122 | 148.5 Ų | 148.5 | 74% | 0.739 | 75% | 0.746 | S | S | * | * | | | | 67.4 | 131.4 | 57 | 160.2 | 0 | 0 | 0 | 0 | 113.2 | | |
| 493 | E | 28.4 | Very low | 32.9 | Very low | 133 Ų | 133 | 144.9 Ų | 144.9 | 62% | 0.621 | 74% | 0.741 | S | S | * | * | | | cis | -176.1 | 150.1 | -11.8 | -169.7 | -166.6 | -144.2 | 0 | 0 | 112 | | |
| 494 | K | 27.5 | Very low | 33.4 | Very low | 153 Ų | 153 | 145.8 Ų | 145.8 | 67% | 0.665 | 74% | 0.744 | S | S | * | * | | | trans | 65 | 173.5 | 157.7 | -86.5 | 166.3 | -154.2 | 146.9 | 0 | 117.4 | | |
| 495 | K | 27.8 | Very low | 32.7 | Very low | 194 Ų | 194 | 146.3 Ų | 146.3 | 84% | 0.843 | 75% | 0.751 | S | S | * | * | | | cis | -150.6 | -177.1 | 5.2 | -137.6 | 162.7 | -178.5 | -179.4 | 0 | 113.2 | | |
| 496 | K | 28.6 | Very low | 32.8 | Very low | 191 Ų | 191 | 143.5 Ų | 143.5 | 83% | 0.83 | 75% | 0.747 | S | S | * | * | | | trans | -76.1 | 154.4 | -170.1 | -58.3 | -176.4 | 171.4 | -165.1 | 0 | 118.3 | | |
| 497 | E | 29.1 | Very low | 34.1 | Very low | 167 Ų | 167 | 140 Ų | 140 | 78% | 0.78 | 74% | 0.743 | S | S | * | * | | | trans | -2.3 | 144.2 | 133.2 | -156.3 | 179.9 | -176.5 | 0 | 0 | 120.7 | | |
| 498 | P | 41.8 | Very low | 34.8 | Very low | 130 Ų | 130 | 136.9 Ų | 136.9 | 84% | 0.844 | 74% | 0.741 | S | S | * | * | | | | -141.1 | -159.3 | 114.3 | 40.8 | -26.3 | 0 | 0 | 0 | 115.3 | | |
| 499 | E | 27 | Very low | 34.9 | Very low | 156 Ų | 156 | 135.4 Ų | 135.4 | 73% | 0.729 | 75% | 0.745 | S | S | * | * | | | trans | -137.4 | 152.8 | -140.1 | -157.4 | -157.1 | 142.7 | 0 | 0 | 116.8 | | |
| 500 | V | 32 | Very low | 34.9 | Very low | 117 Ų | 117 | 135.9 Ų | 135.9 | 71% | 0.709 | 76% | 0.756 | S | S | * | * | | | trans | 53.9 | 173.4 | 160.9 | -79.9 | 0 | 0 | 0 | 0 | 122.2 | | |
| 501 | P | 51 | Low | 34.9 | Very low | 112 Ų | 112 | 135 Ų | 135 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | | | cis | -130.1 | -144 | -49.8 | 41 | -23 | 0 | 0 | 0 | 110.7 | | |
| 502 | P | 45.3 | Very low | 35.1 | Very low | 128 Ų | 128 | 132.7 Ų | 132.7 | 83% | 0.831 | 77% | 0.765 | S | S | * | * | | | cis | -120.1 | -165.1 | -37.5 | 37.1 | -18.5 | 0 | 0 | 0 | 113.9 | | |
| 503 | S | 29.2 | Very low | 36 | Very low | 109 Ų | 109 | 132.9 Ų | 132.9 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | | | trans | -107.3 | 159.4 | -176.9 | -177 | 0 | 0 | 0 | 0 | 114.5 | | |
| 504 | P | 43 | Very low | 36.1 | Very low | 122 Ų | 122 | 131 Ų | 131 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | | | | -157.7 | 166 | 110.7 | 40.6 | -22.1 | 0 | 0 | 0 | 119.9 | | |
| 505 | S | 27.6 | Very low | 36.5 | Very low | 121 Ų | 121 | 129.3 Ų | 129.3 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | | | trans | 84.3 | 160 | 148.5 | -144.6 | 0 | 0 | 0 | 0 | 124 | | |
| 506 | S | 32.7 | Very low | 37.5 | Very low | 102 Ų | 102 | 125.9 Ų | 125.9 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | | | trans | -149 | -164.3 | -178.4 | 64 | 0 | 0 | 0 | 0 | 110.1 | | |
| 507 | P | 58.8 | Low | 37.5 | Very low | 107 Ų | 107 | 123.5 Ų | 123.5 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | | | cis | -124.1 | -166.1 | -23.4 | 42.6 | -25.3 | 0 | 0 | 0 | 112.7 | | |
| 508 | P | 48.3 | Very low | 37.6 | Very low | 115 Ų | 115 | 120.3 Ų | 120.3 | 75% | 0.747 | 78% | 0.778 | S | S | * | * | | | | -153.3 | 151.5 | 90.3 | 37.4 | -16.1 | 0 | 0 | 0 | 117.6 | | |
| 509 | V | 32.1 | Very low | 37.8 | Very low | 126 Ų | 126 | 120 Ų | 120 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | | | | 63.5 | 126.5 | 89.6 | -159.2 | 0 | 0 | 0 | 0 | 116.2 | | |
| 510 | V | 32.1 | Very low | 37.9 | Very low | 136 Ų | 136 | 119.1 Ų | 119.1 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | | | | -170.1 | 169.3 | 89.2 | 167 | 0 | 0 | 0 | 0 | 113.4 | | |
| 511 | T | 32.9 | Very low | 38.4 | Very low | 133 Ų | 133 | 118.5 Ų | 118.5 | 82% | 0.816 | 78% | 0.78 | S | S | * | * | | | trans | -89.7 | -177.8 | -152.3 | 51.2 | 0 | 0 | 0 | 0 | 122.7 | | |
| 512 | S | 31.9 | Very low | 37.2 | Very low | 112 Ų | 112 | 122.9 Ų | 122.9 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | | | trans | -103.5 | 177.3 | -173.1 | -12.3 | 0 | 0 | 0 | 0 | 118.7 | | |
| 513 | P | 49.3 | Very low | 36.5 | Very low | 127 Ų | 127 | 125.4 Ų | 125.4 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | | | trans | -109.4 | -171.9 | 143.8 | 3 | 20.9 | 0 | 0 | 0 | 111.7 | | |
| 514 | A | 30.3 | Very low | 37.7 | Very low | 92 Ų | 92 | 125.3 Ų | 125.3 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | | | cis | -170.4 | -178.3 | -20.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 515 | S | 36.3 | Very low | 37.5 | Very low | 119 Ų | 119 | 124.3 Ų | 124.3 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | | | trans | -158.6 | 171.2 | 170 | -58.8 | 0 | 0 | 0 | 0 | 111 | | |
| 516 | P | 49.1 | Very low | 37.6 | Very low | 121 Ų | 121 | 124.6 Ų | 124.6 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | | | | -165.6 | 179.4 | 102.4 | 43 | -21.3 | 0 | 0 | 0 | 120.5 | | |
| 517 | V | 29.1 | Very low | 37.7 | Very low | 142 Ų | 142 | 126.9 Ų | 126.9 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | | | trans | 85.6 | 140.4 | 157.6 | -170.7 | 0 | 0 | 0 | 0 | 121.7 | | |
| 518 | S | 30.8 | Very low | 36.5 | Very low | 100 Ų | 100 | 130.7 Ų | 130.7 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | | | trans | -146.1 | 173.4 | 170.5 | 63.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 519 | P | 46.1 | Very low | 35.9 | Very low | 124 Ų | 124 | 132.9 Ų | 132.9 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | | | | -150 | 168 | 119.1 | 37.3 | -19.9 | 0 | 0 | 0 | 117.8 | | |
| 520 | T | 27.2 | Very low | 36.2 | Very low | 136 Ų | 136 | 131.8 Ų | 131.8 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | | | trans | -93.1 | -163 | 178.4 | 35.7 | 0 | 0 | 0 | 0 | 112 | | |
| 521 | P | 44 | Very low | 36.4 | Very low | 105 Ų | 105 | 131.1 Ų | 131.1 | 68% | 0.682 | 78% | 0.781 | S | S | * | * | | | cis | -145.9 | 170.7 | 6.3 | 40.9 | -19.7 | 0 | 0 | 0 | 119.9 | | |
| 522 | K | 26.2 | Very low | 36.5 | Very low | 204 Ų | 204 | 129.8 Ų | 129.8 | 89% | 0.887 | 77% | 0.773 | S | S | * | * | | | | 164.4 | 159.8 | 125.8 | -89.4 | 168.4 | -176.7 | -179.9 | 0 | 114.8 | | |
| 523 | Q | 30.5 | Very low | 37.2 | Very low | 181 Ų | 181 | 130.7 Ų | 130.7 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | | | trans | -169.8 | 178.9 | -174 | -151.5 | -159.1 | -11.8 | 0 | 0 | 107.1 | | |
| 524 | P | 53.8 | Low | 37.3 | Very low | 106 Ų | 106 | 130.8 Ų | 130.8 | 69% | 0.688 | 76% | 0.761 | S | S | * | * | | | cis | -97.5 | -139.2 | -40 | 43.4 | -31.1 | 0 | 0 | 0 | 108.5 | | |
| 525 | P | 38.9 | Very low | 38.3 | Very low | 101 Ų | 101 | 134.5 Ų | 134.5 | 66% | 0.656 | 77% | 0.768 | S | S | * | * | | | cis | -130.1 | -179.9 | -23 | 36.7 | -17.7 | 0 | 0 | 0 | 115.4 | | |
| 526 | V | 29.4 | Very low | 38.5 | Very low | 128 Ų | 128 | 135.1 Ų | 135.1 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | | | trans | 58.1 | 146.9 | 170.4 | -77.3 | 0 | 0 | 0 | 0 | 116.8 | | |
| 527 | D | 34.1 | Very low | 37.8 | Very low | 149 Ų | 149 | 136 Ų | 136 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | | | cis | -134.2 | 168.3 | 35.1 | -126.2 | -37.7 | 0 | 0 | 0 | 117.1 | | |
| 528 | K | 35.2 | Very low | 38.4 | Very low | 187 Ų | 187 | 137.4 Ų | 137.4 | 81% | 0.813 | 76% | 0.756 | S | S | * | * | | | trans | -90.6 | 99.3 | -179.7 | -62.6 | 174.7 | -174.5 | 173.2 | 0 | 111.2 | | |
| 529 | L | 35.6 | Very low | 38.7 | Very low | 161 Ų | 161 | 138.5 Ų | 138.5 | 84% | 0.843 | 76% | 0.758 | S | S | * | * | | | trans | -68.1 | 130.9 | 159.7 | -64.7 | -179.2 | 0 | 0 | 0 | 109 | V531 | L529-V531 PolarHBondContact O-N 2.71Š|
| 530 | P | 38.2 | Very low | 38 | Very low | 104 Ų | 104 | 140.5 Ų | 140.5 | 68% | 0.675 | 76% | 0.757 | S | S | * | * | | | trans | -68.7 | 122.5 | 176.3 | 27.6 | -32.5 | 0 | 0 | 0 | 109.6 | T532 | P530-T532 VanDerWaalsContact C-N 3.28Å; P530-T532 HydrophobicContact CB-CG2 4.35Å; P530-T532 HydrophobicContact CG-CG2 4.38Å; P530-T532 PolarHBondContact O-N 3.43Å |
| 531 | V | 34.8 | Very low | 38.4 | Very low | 121 Ų | 121 | 139.1 Ų | 139.1 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | | | trans | -68.3 | 94.9 | 160.1 | -179 | 0 | 0 | 0 | 0 | 106.6 | L529 N533 | L529-V531 PolarHBondContact O-N 2.71Å; V531-N533 WeakPolarHBondContact CG1-OD1 3.35Å; V531-N533 PolarHBondContact O-N 3.29Å |
| 532 | T | 36.7 | Very low | 37.9 | Very low | 105 Ų | 105 | 140 Ų | 140 | 64% | 0.644 | 76% | 0.756 | S | S | * | * | | | trans | -74.4 | 91.2 | 175.2 | 51.8 | 0 | 0 | 0 | 0 | 108.5 | P530 I534 | P530-T532 VanDerWaalsContact C-N 3.28Å; P530-T532 HydrophobicContact CB-CG2 4.35Å; P530-T532 HydrophobicContact CG-CG2 4.38Å; P530-T532 PolarHBondContact O-N 3.43Å; T532-I534 VanDerWaalsContact C-N 3.33Å; T532-I534 PolarHBondContact O-N 2.78Å |
| 533 | N | 46.3 | Very low | 38.2 | Very low | 132 Ų | 132 | 138.6 Ų | 138.6 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | | | trans | -64.6 | 88.4 | 174.9 | -56.9 | -51.3 | 0 | 0 | 0 | 110.3 | V531 | V531-N533 WeakPolarHBondContact CG1-OD1 3.35Å; V531-N533 PolarHBondContact O-N 3.29Å |
| 534 | I | 51.2 | Low | 38.2 | Very low | 128 Ų | 128 | 141.3 Ų | 141.3 | 66% | 0.656 | 76% | 0.755 | S | S | * | * | | | trans | -132.8 | 56.4 | 163.9 | -48.2 | 80.4 | 0 | 0 | 0 | 108.6 | T532 | T532-I534 VanDerWaalsContact C-N 3.33Å; T532-I534 PolarHBondContact O-N 2.78Å |
| 535 | D | 50.1 | Low | 37.1 | Very low | 170 Ų | 170 | 142.7 Ų | 142.7 | 91% | 0.909 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -150.2 | 42.8 | 156.6 | -116.8 | -25.5 | 0 | 0 | 0 | 109.3 | | |
| 536 | D | 41.5 | Very low | 37.1 | Very low | 132 Ų | 132 | 143.6 Ų | 143.6 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | | | trans | -143.3 | 68.4 | 174.9 | -149.1 | 0.6 | 0 | 0 | 0 | 109.6 | | |
| 537 | I | 34.8 | Very low | 37.1 | Very low | 141 Ų | 141 | 143.9 Ų | 143.9 | 72% | 0.723 | 77% | 0.768 | S | S | * | * | | | trans | -107 | 83.1 | 165.9 | -63.3 | -178.5 | 0 | 0 | 0 | 107 | V539 | I537-V539 VanDerWaalsContact C-N 3.35Å; I537-V539 HydrophobicContact CG2-CG2 3.85Å; I537-V539 PolarHBondContact O-N 2.89Å |
| 538 | E | 40.1 | Very low | 37.2 | Very low | 171 Ų | 171 | 142.6 Ų | 142.6 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | | | trans | -61.9 | 98.6 | 157.8 | -73 | -161.6 | 118.8 | 0 | 0 | 108.6 | E540 | E538-E540 PolarHBondContact O-N 2.97Š|
| 539 | V | 37.2 | Very low | 37 | Very low | 122 Ų | 122 | 139 Ų | 139 | 74% | 0.739 | 77% | 0.767 | S | S | * | * | | | trans | -72.9 | 79.3 | 161.5 | -176.5 | 0 | 0 | 0 | 0 | 107.7 | I537 | I537-V539 VanDerWaalsContact C-N 3.35Å; I537-V539 HydrophobicContact CG2-CG2 3.85Å; I537-V539 PolarHBondContact O-N 2.89Å |
| 540 | E | 32.4 | Very low | 37.1 | Very low | 166 Ų | 166 | 136.9 Ų | 136.9 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | | | trans | -55.1 | 125.2 | 170 | -170.8 | -172.9 | -179.5 | 0 | 0 | 108.6 | E538 P542 | E538-E540 PolarHBondContact O-N 2.97Å; E540-P542 WeakPolarHBondContact O-CD 3.36Å |
| 541 | P | 36.6 | Very low | 36.8 | Very low | 107 Ų | 107 | 140.8 Ų | 140.8 | 70% | 0.695 | 77% | 0.774 | S | S | * | * | | | trans | -73.3 | 114 | -172.6 | 27.1 | -33.9 | 0 | 0 | 0 | 111.1 | Q543 | P541-Q543 PolarHBondContact O-N 3.11Š|
| 542 | P | 32.9 | Very low | 37.1 | Very low | 123 Ų | 123 | 141 Ų | 141 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | | | trans | -69.8 | 100 | -173.5 | 27.5 | -34.7 | 0 | 0 | 0 | 111.4 | E540 | E540-P542 WeakPolarHBondContact O-CD 3.36Š|
| 543 | Q | 32.7 | Very low | 37.4 | Very low | 176 Ų | 176 | 143.8 Ų | 143.8 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | | | trans | -72.1 | 133.3 | 177.2 | -156.4 | 177.7 | 69.6 | 0 | 0 | 110.4 | P541 V545 | P541-Q543 PolarHBondContact O-N 3.11Å; Q543-V545 PolarHBondContact O-N 3.12Å |
| 544 | R | 30.6 | Very low | 37 | Very low | 238 Ų | 238 | 149.4 Ų | 149.4 | 90% | 0.898 | 79% | 0.793 | S | S | * | * | | | trans | -68.3 | 130.5 | -168.4 | -56.6 | 178.2 | -175.9 | 94.3 | 1.9 | 112.8 | | |
| 545 | V | 30.1 | Very low | 36.9 | Very low | 134 Ų | 134 | 152.1 Ų | 152.1 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | | | trans | -109.8 | 125.8 | 157.5 | -171.9 | 0 | 0 | 0 | 0 | 108.8 | Q543 | Q543-V545 PolarHBondContact O-N 3.12Š|
| 546 | P | 39 | Very low | 37.1 | Very low | 121 Ų | 121 | 153.4 Ų | 153.4 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | | | trans | -97.5 | 135.1 | -173.1 | 34.1 | -30.1 | 0 | 0 | 0 | 113.6 | | |
| 547 | V | 29.6 | Very low | 37.4 | Very low | 133 Ų | 133 | 149.8 Ų | 149.8 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | | | trans | -129.2 | 138.6 | 169.8 | 179 | 0 | 0 | 0 | 0 | 107.9 | | |
| 548 | P | 36.1 | Very low | 38.5 | Very low | 123 Ų | 123 | 148 Ų | 148 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | | | trans | -87.9 | 143.3 | -160.5 | 33 | -35.9 | 0 | 0 | 0 | 114.7 | | |
| 549 | S | 30.3 | Very low | 39 | Very low | 111 Ų | 111 | 144.9 Ų | 144.9 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | | | trans | -113.2 | 148.4 | 163 | -70 | 0 | 0 | 0 | 0 | 109.8 | | |
| 550 | P | 39.1 | Very low | 40 | Very low | 117 Ų | 117 | 145.1 Ų | 145.1 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | | | trans | -69.3 | 140.5 | -158 | 24.7 | -34.9 | 0 | 0 | 0 | 114.6 | V552 | P550-V552 VanDerWaalsContact C-N 3.27Å; P550-V552 PolarHBondContact O-N 3.42Å |
| 551 | M | 30.8 | Very low | 41.3 | Very low | 185 Ų | 185 | 140.8 Ų | 140.8 | 91% | 0.911 | 75% | 0.752 | S | S | * | * | | | trans | -71.3 | 78.6 | 170.1 | -77.5 | 173 | 48.5 | 0 | 0 | 111.2 | Q553 | M551-Q553 PolarHBondContact O-N 3.41Å; M551-Q553 VanDerWaalsContact O-N 3.17Å |
| 552 | V | 41.2 | Very low | 42.9 | Very low | 125 Ų | 125 | 138.8 Ų | 138.8 | 76% | 0.758 | 74% | 0.738 | S | S | * | * | | | trans | -65.1 | 115.7 | 161.1 | -163 | 0 | 0 | 0 | 0 | 107.1 | P550 R554 | P550-V552 VanDerWaalsContact C-N 3.27Å; P550-V552 PolarHBondContact O-N 3.42Å; V552-R554 PolarHBondContact O-N 2.81Å |
| 553 | Q | 43.2 | Very low | 44.5 | Very low | 165 Ų | 165 | 136.1 Ų | 136.1 | 77% | 0.771 | 72% | 0.719 | S | S | * | * | | | trans | -58.9 | 109.6 | -177.7 | -66.2 | 173.7 | -14 | 0 | 0 | 109.7 | M551 K555 | M551-Q553 PolarHBondContact O-N 3.41Å; M551-Q553 VanDerWaalsContact O-N 3.17Å; Q553-K555 PolarHBondContact O-N 2.96Å |
| 554 | R | 38.1 | Very low | 46 | Very low | 250 Ų | 250 | 131.5 Ų | 131.5 | 94% | 0.943 | 71% | 0.705 | S | S | * | * | | | trans | -67.2 | 88.8 | 166.3 | -77.6 | -170.7 | 171.1 | 124.3 | -0.1 | 108.1 | V552 K556 | V552-R554 PolarHBondContact O-N 2.81Å; R554-K556 PolarHBondContact O-N 3.45Å |
| 555 | K | 49.7 | Very low | 47.4 | Very low | 185 Ų | 185 | 126.4 Ų | 126.4 | 80% | 0.804 | 69% | 0.689 | S | S | * | * | | | trans | -50.5 | 130.4 | 174.3 | -76.5 | -178.8 | 175.4 | 177.3 | 0 | 108.3 | Q553 G557 | Q553-K555 PolarHBondContact O-N 2.96Å; K555-G557 PolarHBondContact O-N 2.75Å |
| 556 | K | 53.6 | Low | 48.6 | Very low | 196 Ų | 196 | 131.5 Ų | 131.5 | 85% | 0.852 | 69% | 0.694 | S | S | * | * | | | trans | -45.2 | 132.8 | -178.8 | -172 | 178.9 | 179.7 | -175.2 | 0 | 109.7 | R554 | R554-K556 PolarHBondContact O-N 3.45Š|
| 557 | G | 47.8 | Very low | 48.8 | Very low | 57 Ų | 57 | 131.4 Ų | 131.4 | 59% | 0.588 | 70% | 0.696 | S | S | * | * | | | trans | -52.3 | 144.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | K555 T559 | K555-G557 PolarHBondContact O-N 2.75Å; G557-T559 PolarHBondContact O-N 2.71Å |
| 558 | N | 57.9 | Low | 49.2 | Very low | 102 Ų | 102 | 129.8 Ų | 129.8 | 55% | 0.545 | 70% | 0.696 | S | S | . | * | | | trans | -75.4 | 67.4 | -174.1 | -171.5 | 91.1 | 0 | 0 | 0 | 111.3 | F560 G618 | N558-F560 PolarHBondContact O-N 3.35Å; N558-G618 PolarHBondContact OD1-N 3.01Å |
| 559 | T | 51.1 | Low | 49 | Very low | 107 Ų | 107 | 132.7 Ų | 132.7 | 66% | 0.656 | 70% | 0.699 | S | S | * | * | | | trans | -70.8 | 110.3 | 165.1 | -52 | 0 | 0 | 0 | 0 | 107.7 | G557 | G557-T559 PolarHBondContact O-N 2.71Š|
| 560 | F | 57.3 | Low | 49.4 | Very low | 126 Ų | 126 | 133.1 Ų | 133.1 | 55% | 0.553 | 70% | 0.699 | S | S | * | * | | | trans | -80.2 | 137.3 | 167.9 | 66.8 | -86.8 | 0 | 0 | 0 | 108.9 | N558 V562 V615 G617 | N558-F560 PolarHBondContact O-N 3.35Å; F560-V562 HydrophobicContact CD2-CG2 4.14Å; F560-V562 HydrophobicContact CE2-CG2 4.09Å; F560-V615 HydrophobicContact CB-CG1 3.84Å; F560-V615 HydrophobicContact CD2-CG1 4.09Å; F560-V615 HydrophobicContact CG-CG1 4.34Å; F560-G617 WeakPolarHBondContact CB-O 3.21Å |
| 561 | T | 60.6 | Low | 49.1 | Very low | 75 Ų | 75 | 137 Ų | 137 | 46% | 0.46 | 71% | 0.707 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.4 | 118.6 | 174.9 | -52.8 | 0 | 0 | 0 | 0 | 108.8 | V563 I616 | T561-V563 HydrophobicContact CG2-CG2 3.92Å; T561-I616 PolarHBondContact N-O 2.7Å; T561-I616 PolarHBondContact O-N 2.95Å |
| 562 | V | 70.1 | Confident | 49.3 | Very low | 65 Ų | 65 | 138.1 Ų | 138.1 | 39% | 0.394 | 71% | 0.707 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.9 | 120.6 | 167.6 | 166.2 | 0 | 0 | 0 | 0 | 108.4 | F560 I613 | F560-V562 HydrophobicContact CD2-CG2 4.14Å; F560-V562 HydrophobicContact CE2-CG2 4.09Å; V562-I613 HydrophobicContact CB-CG2 4.44Å; V562-I613 HydrophobicContact CG1-CG1 4.31Å; V562-I613 HydrophobicContact CG1-CG2 3.82Å; V562-I613 HydrophobicContact CG2-CG2 3.94Å |
| 563 | V | 66.6 | Low | 48.6 | Very low | 68 Ų | 68 | 137.8 Ų | 137.8 | 41% | 0.412 | 71% | 0.71 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.9 | 110.4 | 172.7 | -176.5 | 0 | 0 | 0 | 0 | 108.4 | T561 K565 Q614 I616 | T561-V563 HydrophobicContact CG2-CG2 3.92Å; V563-K565 PolarHBondContact O-N 3.35Å; V563-Q614 PolarHBondContact N-O 2.82Å; V563-I616 HydrophobicContact CG2-CD1 4.06Å |
| 564 | P | 63.7 | Low | 48.8 | Very low | 79 Ų | 79 | 135.6 Ų | 135.6 | 51% | 0.513 | 71% | 0.71 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -61.1 | 124.4 | 173.6 | -22.8 | 34 | 0 | 0 | 0 | 110.6 | R566 | P564-R566 PolarHBondContact O-N 3.04Å |
| 565 | K | 59.6 | Low | 49.5 | Very low | 131 Ų | 131 | 129.4 Ų | 129.4 | 57% | 0.57 | 70% | 0.703 | S | S | * | * | | | trans | -78.4 | 105.8 | -179.9 | -61.1 | -171.7 | 76 | 150 | 0 | 110.2 | V563 S567 E612 Q614 | V563-K565 PolarHBondContact O-N 3.35Å; K565-S567 PolarHBondContact O-N 3.08Å; K565-E612 PolarHBondContact N-O 3.21Å; K565-Q614 HydrophobicContact CD-CB 4.02Å; K565-Q614 HydrophobicContact CG-CB 4.06Å |
| 566 | R | 56.5 | Low | 48.5 | Very low | 241 Ų | 241 | 129.7 Ų | 129.7 | 91% | 0.909 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 120.3 | 162.8 | -64.9 | -172.6 | -66.2 | 174 | 0.4 | 108.5 | P564 | P564-R566 PolarHBondContact O-N 3.04Š|
| 567 | S | 42.7 | Very low | 48.2 | Very low | 118 Ų | 118 | 125.5 Ų | 125.5 | 83% | 0.825 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 133.8 | 164.6 | 40 | 0 | 0 | 0 | 0 | 109.2 | K565 | K565-S567 PolarHBondContact O-N 3.08Š|
| 568 | A | 37 | Very low | 47.5 | Very low | 99 Ų | 99 | 130.9 Ų | 130.9 | 82% | 0.818 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 119.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 569 | E | 33.2 | Very low | 46.3 | Very low | 185 Ų | 185 | 133.1 Ų | 133.1 | 86% | 0.864 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 122.7 | 175.1 | -170.6 | 176.4 | 166.1 | 0 | 0 | 109.4 | Q571 | E569-Q571 PolarHBondContact O-N 3.31Š|
| 570 | P | 38.3 | Very low | 45.3 | Very low | 120 Ų | 120 | 136 Ų | 136 | 78% | 0.779 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 119.7 | -176.7 | 29.5 | -33.1 | 0 | 0 | 0 | 111.2 | | |
| 571 | Q | 31.7 | Very low | 44.1 | Very low | 199 Ų | 199 | 134.2 Ų | 134.2 | 93% | 0.93 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 152.3 | 172.6 | -73.8 | -168.8 | -97.8 | 0 | 0 | 112.5 | E569 | E569-Q571 PolarHBondContact O-N 3.31Š|
| 572 | K | 35.4 | Very low | 43.5 | Very low | 208 Ų | 208 | 136.4 Ų | 136.4 | 90% | 0.904 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 153.3 | -166.7 | -59.1 | 174.8 | 179.3 | 177.4 | 0 | 114.9 | | |
| 573 | S | 27.5 | Very low | 41.8 | Very low | 118 Ų | 118 | 138 Ų | 138 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | | | trans | -138.5 | 139.6 | 142.1 | 55 | 0 | 0 | 0 | 0 | 110.3 | | |
| 574 | P | 46.6 | Very low | 40.1 | Very low | 118 Ų | 118 | 144.1 Ų | 144.1 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | | | trans | -121.4 | -176.9 | 170 | 42.4 | -32.5 | 0 | 0 | 0 | 111.5 | | |
| 575 | P | 52.3 | Low | 38.7 | Very low | 121 Ų | 121 | 144.3 Ų | 144.3 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | | | cis | -126.6 | 167.7 | -27.3 | 37.1 | -23.5 | 0 | 0 | 0 | 113.1 | | |
| 576 | E | 29.1 | Very low | 38 | Very low | 191 Ų | 191 | 143.8 Ų | 143.8 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | | | trans | -161.4 | 148.4 | 135.7 | -150.6 | 149 | -166.7 | 0 | 0 | 110.7 | | |
| 577 | P | 48.5 | Very low | 37.3 | Very low | 107 Ų | 107 | 138.4 Ų | 138.4 | 70% | 0.695 | 81% | 0.805 | S | S | * | * | | | trans | -117.2 | 162.4 | -174.5 | 40.7 | -31.1 | 0 | 0 | 0 | 114.9 | | |
| 578 | Q | 31.1 | Very low | 36.6 | Very low | 170 Ų | 170 | 136.3 Ų | 136.3 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | | | trans | 179.7 | 137.5 | 136.5 | -101.8 | 164.5 | 2.2 | 0 | 0 | 114.2 | | |
| 579 | Q | 33.2 | Very low | 36.3 | Very low | 149 Ų | 149 | 137 Ų | 137 | 70% | 0.696 | 80% | 0.801 | S | S | * | * | | | trans | 48.9 | 148.8 | 132.2 | -68.9 | -178.8 | -82.9 | 0 | 0 | 122.3 | | |
| 580 | E | 31.6 | Very low | 36.6 | Very low | 167 Ų | 167 | 134.6 Ų | 134.6 | 78% | 0.78 | 80% | 0.799 | S | S | * | * | | | cis | -161.8 | -178.7 | -19.1 | -152.5 | 160 | 159.5 | 0 | 0 | 109.1 | | |
| 581 | A | 30.7 | Very low | 36.4 | Very low | 89 Ų | 89 | 134.3 Ų | 134.3 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | | | trans | -108 | -162.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 582 | P | 48.6 | Very low | 36.7 | Very low | 122 Ų | 122 | 130.7 Ų | 130.7 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | | | cis | -141.5 | -163.9 | -5 | 44.1 | -24.2 | 0 | 0 | 0 | 116.1 | | |
| 583 | A | 34.9 | Very low | 37.2 | Very low | 97 Ų | 97 | 129 Ų | 129 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | | | trans | 72.9 | 152.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 584 | E | 30 | Very low | 37.5 | Very low | 198 Ų | 198 | 128.1 Ų | 128.1 | 93% | 0.925 | 78% | 0.778 | S | S | * | * | | | cis | -127.1 | -170.8 | 9.1 | -151.6 | 176.8 | 150.7 | 0 | 0 | 112.4 | | |
| 585 | A | 35.1 | Very low | 37.4 | Very low | 83 Ų | 83 | 131.4 Ų | 131.4 | 69% | 0.686 | 78% | 0.783 | S | S | * | * | | | trans | -139 | -158.5 | -163.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 586 | P | 44.7 | Very low | 36.8 | Very low | 120 Ų | 120 | 134.2 Ų | 134.2 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | | | | -112 | -159.8 | -75.9 | 40.6 | -27.2 | 0 | 0 | 0 | 110.7 | | |
| 587 | P | 41.4 | Very low | 37.5 | Very low | 128 Ų | 128 | 129.1 Ų | 129.1 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | | | cis | -129.1 | 162.8 | -7.7 | 40.7 | -25.1 | 0 | 0 | 0 | 116 | | |
| 588 | G | 27.2 | Very low | 37.6 | Very low | 74 Ų | 74 | 132 Ų | 132 | 76% | 0.763 | 77% | 0.773 | S | S | * | * | | | trans | 175.3 | 86.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 589 | S | 31.6 | Very low | 38.2 | Very low | 114 Ų | 114 | 128.3 Ų | 128.3 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | | | trans | 43.6 | 93.3 | 155.9 | 178.8 | 0 | 0 | 0 | 0 | 119.7 | | |
| 590 | T | 38.9 | Very low | 38.8 | Very low | 133 Ų | 133 | 123.5 Ų | 123.5 | 82% | 0.816 | 75% | 0.749 | S | S | * | * | | | trans | -170.1 | 134.5 | 134.6 | 8.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 591 | P | 35 | Very low | 39.7 | Very low | 115 Ų | 115 | 118.5 Ų | 118.5 | 75% | 0.747 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 156.6 | 159.8 | -15.5 | 31.6 | 0 | 0 | 0 | 111.7 | | |
| 592 | P | 38.2 | Very low | 40.7 | Very low | 122 Ų | 122 | 120.6 Ų | 120.6 | 79% | 0.792 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 148.4 | -170.8 | 30.4 | -36.1 | 0 | 0 | 0 | 113.8 | | |
| 593 | Q | 45.3 | Very low | 41 | Very low | 174 Ų | 174 | 122.5 Ų | 122.5 | 81% | 0.813 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 130.7 | 167.4 | -87.2 | -158.3 | -18.7 | 0 | 0 | 111.3 | Q595 | Q593-Q595 PolarHBondContact O-N 3.17Š|
| 594 | P | 33.3 | Very low | 41.8 | Very low | 99 Ų | 99 | 125.8 Ų | 125.8 | 64% | 0.643 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 124.4 | 165 | 29.5 | -32.1 | 0 | 0 | 0 | 109.8 | Y596 | P594-Y596 PolarHBondContact O-N 3.04Š|
| 595 | Q | 43.8 | Very low | 43.2 | Very low | 186 Ų | 186 | 127 Ų | 127 | 87% | 0.869 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | 19.7 | -176.9 | -65 | 176.9 | -28.2 | 0 | 0 | 114.6 | Q593 | Q593-Q595 PolarHBondContact O-N 3.17Š|
| 596 | Y | 40.4 | Very low | 44.6 | Very low | 181 Ų | 181 | 131.4 Ų | 131.4 | 71% | 0.71 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | -12.9 | -178.9 | -94.7 | -95.3 | 0 | 0 | 0 | 114.5 | P594 Q598 L599 | P594-Y596 PolarHBondContact O-N 3.04Å; Y596-Q598 PolarHBondContact O-N 3.18Å; Y596-Q598 VanDerWaalsContact O-N 3.13Å; Y596-L599 HydrophobicContact CD1-CD1 3.93Å; Y596-L599 HydrophobicContact CE1-CD1 3.89Å; Y596-L599 PolarHBondContact O-N 3.32Å |
| 597 | A | 44.6 | Very low | 45.7 | Very low | 84 Ų | 84 | 136.4 Ų | 136.4 | 69% | 0.694 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -57.2 | -31 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | G600 | A597-G600 PolarHBondContact O-N 3.35Š|
| 598 | Q | 50.5 | Low | 47.4 | Very low | 166 Ų | 166 | 133.1 Ų | 133.1 | 78% | 0.776 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -80.3 | -12.9 | -175.5 | -144.1 | 165.3 | 0.6 | 0 | 0 | 114.1 | Y596 S601 | Y596-Q598 PolarHBondContact O-N 3.18Å; Y596-Q598 VanDerWaalsContact O-N 3.13Å; Q598-S601 PolarHBondContact O-OG 3.46Å |
| 599 | L | 43.4 | Very low | 49.5 | Very low | 94 Ų | 94 | 131.5 Ų | 131.5 | 49% | 0.492 | 69% | 0.694 | S | S | . | * | G | 310 helix | trans | -87.7 | -18.6 | 173.4 | -68 | 171 | 0 | 0 | 0 | 112.6 | Y596 S601 L602 | Y596-L599 HydrophobicContact CD1-CD1 3.93Å; Y596-L599 HydrophobicContact CE1-CD1 3.89Å; Y596-L599 PolarHBondContact O-N 3.32Å; L599-S601 PolarHBondContact O-N 3.17Å; L599-L602 HydrophobicContact CD2-CD1 4.25Å; L599-L602 PolarHBondContact O-N 2.94Å |
| 600 | G | 45.5 | Very low | 51 | Low | 47 Ų | 47 | 131.4 Ų | 131.4 | 49% | 0.485 | 69% | 0.688 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.7 | -14.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | A597 | A597-G600 PolarHBondContact O-N 3.35Š|
| 601 | S | 49.5 | Very low | 52.5 | Low | 62 Ų | 62 | 132.6 Ų | 132.6 | 43% | 0.434 | 68% | 0.684 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.4 | -24.6 | 175.2 | 46.7 | 0 | 0 | 0 | 0 | 113.7 | Q598 L599 L603 | Q598-S601 PolarHBondContact O-OG 3.46Å; L599-S601 PolarHBondContact O-N 3.17Å; S601-L603 PolarHBondContact O-N 2.69Å |
| 602 | L | 52.9 | Low | 54.5 | Low | 133 Ų | 133 | 132.2 Ų | 132.2 | 70% | 0.696 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -17.4 | -169.8 | -103.2 | 160.6 | 0 | 0 | 0 | 115 | L599 | L599-L602 HydrophobicContact CD2-CD1 4.25Å; L599-L602 PolarHBondContact O-N 2.94Å |
| 603 | L | 54.3 | Low | 56 | Low | 163 Ų | 163 | 129 Ų | 129 | 85% | 0.853 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.4 | 20.7 | -166.1 | -83.7 | 165.7 | 0 | 0 | 0 | 115.4 | S601 | S601-L603 PolarHBondContact O-N 2.69Š|
| 604 | K | 51.1 | Low | 57.2 | Low | 165 Ų | 165 | 125.2 Ų | 125.2 | 72% | 0.717 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -131.9 | 138.9 | 172 | -87.3 | 165.5 | -179.1 | 168 | 0 | 111 | R606 | K604-R606 VanDerWaalsContact C-N 3.35Å; K604-R606 PolarHBondContact O-N 3.21Å |
| 605 | K | 60.8 | Low | 58.9 | Low | 224 Ų | 224 | 124.1 Ų | 124.1 | 97% | 0.974 | 62% | 0.622 | S | S | * | * | | | trans | -61.5 | 88.8 | -178.6 | -67.2 | -177.4 | -179.9 | 178.4 | 0 | 111 | | |
| 606 | R | 63.7 | Low | 59.8 | Low | 175 Ų | 175 | 119.7 Ų | 119.7 | 66% | 0.66 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 142.6 | 169.7 | -65.2 | 178.9 | -179.7 | -162.1 | 0.1 | 108.1 | K604 | K604-R606 VanDerWaalsContact C-N 3.35Å; K604-R606 PolarHBondContact O-N 3.21Å |
| 607 | Y | 69.1 | Low | 60.9 | Low | 225 Ų | 225 | 113.1 Ų | 113.1 | 88% | 0.882 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 141.1 | 170.3 | -63.3 | -77.1 | 0 | 0 | 0 | 109 | | |
| 608 | P | 76.5 | Confident | 62 | Low | 59 Ų | 59 | 110.9 Ų | 110.9 | 38% | 0.383 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -56.9 | 143 | 179.6 | -25.8 | 34.8 | 0 | 0 | 0 | 112.3 | E612 I613 | P608-E612 VanDerWaalsContact CA-OE2 3.25Å; P608-E612 WeakPolarHBondContact CA-OE2 3.43Å; P608-E612 HydrophobicContact CB-CB 4.24Å; P608-I613 HydrophobicContact CB-CD1 4.29Å; P608-I613 HydrophobicContact CB-CG1 4.02Å |
| 609 | A | 70.5 | Confident | 62.1 | Low | 40 Ų | 40 | 112 Ų | 112 | 33% | 0.331 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -67.8 | 161.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | E611 E612 I613 | A609-E611 WeakPolarHBondContact CB-OE2 3.5Å; A609-E611 PolarHBondContact O-N 2.89Å; A609-E612 HydrophobicContact CB-CG 4.07Å; A609-E612 PolarHBondContact N-OE2 3.14Å; A609-E612 PolarHBondContact O-N 3.28Å; A609-I613 WeakPolarHBondContact O-CG1 3.39Å; A609-I613 PolarHBondContact O-N 2.95Å |
| 610 | V | 62.6 | Low | 62.7 | Low | 112 Ų | 112 | 116.4 Ų | 116.4 | 68% | 0.679 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | -31.6 | 179.7 | 150.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 611 | E | 70.4 | Confident | 63.2 | Low | 159 Ų | 159 | 116.9 Ų | 116.9 | 74% | 0.743 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -22.5 | -179.1 | -58.6 | 69.8 | -153.8 | 0 | 0 | 112.6 | A609 | A609-E611 WeakPolarHBondContact CB-OE2 3.5Å; A609-E611 PolarHBondContact O-N 2.89Å |
| 612 | E | 77.9 | Confident | 63.5 | Low | 106 Ų | 106 | 121.1 Ų | 121.1 | 50% | 0.495 | 61% | 0.61 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.4 | -15.3 | 178.1 | -62.6 | 173.1 | 159.6 | 0 | 0 | 112.3 | K565 P608 A609 Q614 | K565-E612 PolarHBondContact N-O 3.21Å; P608-E612 VanDerWaalsContact CA-OE2 3.25Å; P608-E612 WeakPolarHBondContact CA-OE2 3.43Å; P608-E612 HydrophobicContact CB-CB 4.24Å; A609-E612 HydrophobicContact CB-CG 4.07Å; A609-E612 PolarHBondContact N-OE2 3.14Å; A609-E612 PolarHBondContact O-N 3.28Å; E612-Q614 PolarHBondContact O-N 2.99Å |
| 613 | I | 69.8 | Low | 63.8 | Low | 56 Ų | 56 | 119.1 Ų | 119.1 | 29% | 0.287 | 61% | 0.612 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.5 | 103.4 | -176.4 | -72.4 | 166.3 | 0 | 0 | 0 | 110.3 | V562 P608 A609 V615 | V562-I613 HydrophobicContact CB-CG2 4.44Å; V562-I613 HydrophobicContact CG1-CG1 4.31Å; V562-I613 HydrophobicContact CG1-CG2 3.82Å; V562-I613 HydrophobicContact CG2-CG2 3.94Å; P608-I613 HydrophobicContact CB-CD1 4.29Å; P608-I613 HydrophobicContact CB-CG1 4.02Å; A609-I613 WeakPolarHBondContact O-CG1 3.39Å; A609-I613 PolarHBondContact O-N 2.95Å; I613-V615 HydrophobicContact CG2-CG2 3.88Å; I613-V615 PolarHBondContact O-N 2.7Å |
| 614 | Q | 70.9 | Confident | 63.8 | Low | 94 Ų | 94 | 118.9 Ų | 118.9 | 44% | 0.439 | 61% | 0.605 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.8 | 108.1 | 169.2 | -171 | 160.9 | -9.3 | 0 | 0 | 110.3 | V563 K565 E612 I616 | V563-Q614 PolarHBondContact N-O 2.82Å; K565-Q614 HydrophobicContact CD-CB 4.02Å; K565-Q614 HydrophobicContact CG-CB 4.06Å; E612-Q614 PolarHBondContact O-N 2.99Å; Q614-I616 HydrophobicContact CG-CG1 4.31Å |
| 615 | V | 68.9 | Low | 64.2 | Low | 75 Ų | 75 | 113 Ų | 113 | 46% | 0.455 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.2 | 115.8 | 176.2 | -174.2 | 0 | 0 | 0 | 0 | 109.7 | F560 I613 | F560-V615 HydrophobicContact CB-CG1 3.84Å; F560-V615 HydrophobicContact CD2-CG1 4.09Å; F560-V615 HydrophobicContact CG-CG1 4.34Å; I613-V615 HydrophobicContact CG2-CG2 3.88Å; I613-V615 PolarHBondContact O-N 2.7Å |
| 616 | I | 62.9 | Low | 63.8 | Low | 93 Ų | 93 | 108.5 Ų | 108.5 | 48% | 0.477 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.7 | 111.1 | 179.4 | -55.8 | 179.7 | 0 | 0 | 0 | 108.9 | T561 V563 Q614 | T561-I616 PolarHBondContact N-O 2.7Å; T561-I616 PolarHBondContact O-N 2.95Å; V563-I616 HydrophobicContact CG2-CD1 4.06Å; Q614-I616 HydrophobicContact CG-CG1 4.31Å |
| 617 | G | 63 | Low | 63.4 | Low | 43 Ų | 43 | 106.6 Ų | 106.6 | 44% | 0.443 | 58% | 0.582 | S | S | . | * | S | Bend | trans | 94.6 | 134.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | F560 | F560-G617 WeakPolarHBondContact CB-O 3.21Š|
| 618 | G | 67.4 | Low | 62.9 | Low | 37 Ų | 37 | 98.1 Ų | 98.1 | 38% | 0.381 | 56% | 0.555 | S | S | . | * | S | Bend | trans | 140.4 | 167.9 | -166 | 0 | 0 | 0 | 0 | 0 | 111.3 | N558 L620 | N558-G618 PolarHBondContact OD1-N 3.01Å; G618-L620 PolarHBondContact O-N 2.86Å |
| 619 | Y | 53.2 | Low | 62.1 | Low | 190 Ų | 190 | 105 Ų | 105 | 75% | 0.745 | 58% | 0.579 | S | S | * | * | | | trans | -61.1 | 128.4 | 175.8 | -68.1 | -74.8 | 0 | 0 | 0 | 110.4 | S621 | Y619-S621 PolarHBondContact O-N 2.92Š|
| 620 | L | 55.5 | Low | 61.2 | Low | 186 Ų | 186 | 109.3 Ų | 109.3 | 97% | 0.974 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -72.2 | 23.8 | -171.1 | -149.9 | 75.4 | 0 | 0 | 0 | 114.4 | G618 | G618-L620 PolarHBondContact O-N 2.86Š|
| 621 | S | 56.9 | Low | 60.9 | Low | 58 Ų | 58 | 107.5 Ų | 107.5 | 41% | 0.406 | 61% | 0.606 | S | S | . | * | | | trans | -147.8 | 115.4 | -177.5 | 54.5 | 0 | 0 | 0 | 0 | 110.3 | Y619 A623 K624 | Y619-S621 PolarHBondContact O-N 2.92Å; S621-A623 PolarHBondContact O-N 3.04Å; S621-K624 PolarHBondContact O-N 3.17Å; S621-K624 VanDerWaalsContact O-N 3.11Å |
| 622 | L | 55.7 | Low | 59.8 | Low | 151 Ų | 151 | 105.5 Ų | 105.5 | 79% | 0.791 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -57.9 | -32.3 | -177.6 | -70.5 | 169.1 | 0 | 0 | 0 | 112.5 | K624 S625 S628 | L622-K624 PolarHBondContact O-N 3.02Å; L622-S625 VanDerWaalsContact O-CB 3.25Å; L622-S625 WeakPolarHBondContact O-CB 3.35Å; L622-S625 PolarHBondContact O-N 3.04Å; L622-S628 WeakPolarHBondContact O-CB 3.17Å; L622-S628 PolarHBondContact O-OG 3.37Å |
| 623 | A | 59 | Low | 58.8 | Low | 90 Ų | 90 | 107.6 Ų | 107.6 | 74% | 0.744 | 63% | 0.629 | S | S | * | * | G | 310 helix | trans | -65.8 | 0 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | S621 | S621-A623 PolarHBondContact O-N 3.04Š|
| 624 | K | 54.5 | Low | 58.2 | Low | 159 Ų | 159 | 107.9 Ų | 107.9 | 69% | 0.691 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -119.4 | 11.8 | 169.4 | -58.2 | -166.3 | 70.5 | 64.5 | 0 | 113.1 | S621 L622 | S621-K624 PolarHBondContact O-N 3.17Å; S621-K624 VanDerWaalsContact O-N 3.11Å; L622-K624 PolarHBondContact O-N 3.02Å |
| 625 | S | 59.2 | Low | 57.9 | Low | 41 Ų | 41 | 112.8 Ų | 112.8 | 29% | 0.287 | 67% | 0.665 | S | S | . | * | S | Bend | trans | -85.7 | 144.8 | 176.5 | -174.6 | 0 | 0 | 0 | 0 | 111.2 | L622 L627 S628 | L622-S625 VanDerWaalsContact O-CB 3.25Å; L622-S625 WeakPolarHBondContact O-CB 3.35Å; L622-S625 PolarHBondContact O-N 3.04Å; S625-L627 PolarHBondContact O-N 3.3Å; S625-L627 VanDerWaalsContact O-N 3.14Å; S625-L627 PolarHBondContact OG-N 3.22Å; S625-S628 PolarHBondContact O-N 2.93Å; S625-S628 PolarHBondContact O-OG 3.29Å |
| 626 | C | 52.3 | Low | 57.8 | Low | 130 Ų | 130 | 119.3 Ų | 119.3 | 88% | 0.878 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -13.7 | 167.5 | 53.4 | 0 | 0 | 0 | 0 | 113.1 | | |
| 627 | L | 54.2 | Low | 58 | Low | 134 Ų | 134 | 122 Ų | 122 | 70% | 0.702 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -18 | 176.1 | -56.4 | 177.9 | 0 | 0 | 0 | 113.6 | S625 K629 | S625-L627 PolarHBondContact O-N 3.3Å; S625-L627 VanDerWaalsContact O-N 3.14Å; S625-L627 PolarHBondContact OG-N 3.22Å; L627-K629 VanDerWaalsContact C-N 3.27Å; L627-K629 PolarHBondContact O-N 2.97Å |
| 628 | S | 58.5 | Low | 58.4 | Low | 47 Ų | 47 | 129.3 Ų | 129.3 | 33% | 0.329 | 72% | 0.722 | S | S | . | * | | | trans | -78.1 | 77.9 | 176.8 | 63 | 0 | 0 | 0 | 0 | 110.5 | L622 S625 T630 | L622-S628 WeakPolarHBondContact O-CB 3.17Å; L622-S628 PolarHBondContact O-OG 3.37Å; S625-S628 PolarHBondContact O-N 2.93Å; S625-S628 PolarHBondContact O-OG 3.29Å; S628-T630 PolarHBondContact O-N 3.4Å |
| 629 | K | 60.5 | Low | 58.4 | Low | 204 Ų | 204 | 133.6 Ų | 133.6 | 89% | 0.887 | 74% | 0.735 | S | S | * | * | | | trans | -77.1 | 57.5 | -171.9 | -163.1 | 175.8 | -179.3 | 175.7 | 0 | 113.4 | L627 G631 | L627-K629 VanDerWaalsContact C-N 3.27Å; L627-K629 PolarHBondContact O-N 2.97Å; K629-G631 PolarHBondContact O-N 2.78Å |
| 630 | T | 52.6 | Low | 59.1 | Low | 131 Ų | 131 | 129.4 Ų | 129.4 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | | | trans | -83.5 | 99.8 | 174.3 | 50.3 | 0 | 0 | 0 | 0 | 111.6 | S628 | S628-T630 PolarHBondContact O-N 3.4Š|
| 631 | G | 54.8 | Low | 59.7 | Low | 74 Ų | 74 | 128.2 Ų | 128.2 | 76% | 0.763 | 72% | 0.72 | S | S | * | * | | | trans | 75.5 | 79.5 | 148.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | K629 | K629-G631 PolarHBondContact O-N 2.78Š|
| 632 | S | 48.5 | Very low | 60.2 | Low | 117 Ų | 117 | 130.5 Ų | 130.5 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | | | trans | -134.5 | 115.4 | 139.9 | 64.3 | 0 | 0 | 0 | 0 | 110 | G634 | S632-G634 PolarHBondContact O-N 2.89Å; S632-G634 VanDerWaalsContact O-N 3.13Å |
| 633 | V | 57.2 | Low | 60.8 | Low | 149 Ų | 149 | 130.4 Ų | 130.4 | 90% | 0.903 | 72% | 0.723 | S | S | * | * | | | trans | -81.5 | 94.1 | 179 | -179.7 | 0 | 0 | 0 | 0 | 108.1 | K635 | V633-K635 PolarHBondContact O-N 2.9Š|
| 634 | G | 56.1 | Low | 61 | Low | 62 Ų | 62 | 130.5 Ų | 130.5 | 64% | 0.639 | 72% | 0.719 | S | S | * | * | | | trans | -60.1 | 128.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | S632 K636 | S632-G634 PolarHBondContact O-N 2.89Å; S632-G634 VanDerWaalsContact O-N 3.13Å; G634-K636 PolarHBondContact O-N 2.72Å |
| 635 | K | 65.4 | Low | 61.4 | Low | 197 Ų | 197 | 127.3 Ų | 127.3 | 86% | 0.857 | 72% | 0.716 | S | S | * | * | | | trans | -61.9 | 120.4 | 175.4 | -62 | 178 | -178.1 | 178.7 | 0 | 109 | V633 L637 | V633-K635 PolarHBondContact O-N 2.9Å; K635-L637 PolarHBondContact O-N 3.37Å; K635-L637 VanDerWaalsContact O-N 3.09Å |
| 636 | K | 66.6 | Low | 61.4 | Low | 212 Ų | 212 | 130.9 Ų | 130.9 | 92% | 0.922 | 73% | 0.732 | S | S | * | * | | | trans | -69 | 103.5 | 175 | -74.8 | -172.8 | 174.6 | -176.3 | 0 | 110 | G634 | G634-K636 PolarHBondContact O-N 2.72Š|
| 637 | L | 66.1 | Low | 61.6 | Low | 149 Ų | 149 | 131.1 Ų | 131.1 | 78% | 0.78 | 72% | 0.72 | S | S | * | * | | | trans | -71.2 | 130.2 | 155.7 | -89.2 | 72.4 | 0 | 0 | 0 | 107.9 | K635 | K635-L637 PolarHBondContact O-N 3.37Å; K635-L637 VanDerWaalsContact O-N 3.09Å |
| 638 | K | 71.9 | Confident | 61.9 | Low | 197 Ų | 197 | 130.2 Ų | 130.2 | 86% | 0.857 | 73% | 0.725 | S | S | * | * | | | trans | -103.7 | 93.4 | 172.4 | -176.6 | -175.9 | 176.1 | -173.3 | 0 | 107.7 | | |
| 639 | I | 66.8 | Low | 62.1 | Low | 128 Ų | 128 | 134 Ų | 134 | 66% | 0.656 | 75% | 0.746 | S | S | * | * | | | trans | -81.6 | 132.7 | 170.4 | -56.7 | 174.5 | 0 | 0 | 0 | 107.2 | F641 | I639-F641 HydrophobicContact CG2-CE1 4.47Å; I639-F641 HydrophobicContact CG2-CE2 3.91Å; I639-F641 HydrophobicContact CG2-CZ 3.88Å |
| 640 | S | 69.6 | Low | 61.5 | Low | 101 Ų | 101 | 132.5 Ų | 132.5 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | | | trans | -130.7 | 124.9 | 175 | 52.2 | 0 | 0 | 0 | 0 | 109 | | |
| 641 | F | 67.2 | Low | 61.9 | Low | 162 Ų | 162 | 134.4 Ų | 134.4 | 71% | 0.711 | 74% | 0.736 | S | S | * | * | | | trans | -87.1 | 149.6 | 174.7 | -61.5 | -84.5 | 0 | 0 | 0 | 109.8 | I639 E643 | I639-F641 HydrophobicContact CG2-CE1 4.47Å; I639-F641 HydrophobicContact CG2-CE2 3.91Å; I639-F641 HydrophobicContact CG2-CZ 3.88Å; F641-E643 PolarHBondContact O-N 3.26Å |
| 642 | N | 67.3 | Low | 61.8 | Low | 105 Ų | 105 | 139.6 Ų | 139.6 | 56% | 0.561 | 73% | 0.734 | S | S | * | * | | | trans | -78 | 110.8 | 170.4 | 175.3 | 31.3 | 0 | 0 | 0 | 108.9 | S644 S645 | N642-S644 PolarHBondContact ND2-OG 3.38Å; N642-S644 PolarHBondContact O-N 3.11Å; N642-S644 PolarHBondContact OD1-N 3.44Å; N642-S644 PolarHBondContact OD1-OG 2.89Å; N642-S644 VanDerWaalsContact OD1-OG 3.11Å; N642-S645 WeakPolarHBondContact O-CB 3.37Å; N642-S645 PolarHBondContact O-N 2.89Å |
| 643 | E | 68 | Low | 62.1 | Low | 149 Ų | 149 | 139.2 Ų | 139.2 | 70% | 0.696 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -63.1 | -26.6 | -175.6 | -65 | -169.8 | 140 | 0 | 0 | 112.9 | F641 S645 L646 Q647 | F641-E643 PolarHBondContact O-N 3.26Å; E643-S645 PolarHBondContact O-N 2.8Å; E643-S645 VanDerWaalsContact O-N 3.17Å; E643-L646 WeakPolarHBondContact O-CB 3.46Å; E643-L646 PolarHBondContact O-N 2.87Å; E643-Q647 VanDerWaalsContact O-CD 3.26Å; E643-Q647 PolarHBondContact O-NE2 2.85Å; E643-Q647 PolarHBondContact O-OE1 3.36Å |
| 644 | S | 64.5 | Low | 61.8 | Low | 92 Ų | 92 | 137.4 Ų | 137.4 | 64% | 0.643 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -70.8 | -4.6 | 175.1 | 67.1 | 0 | 0 | 0 | 0 | 114.6 | N642 | N642-S644 PolarHBondContact ND2-OG 3.38Å; N642-S644 PolarHBondContact O-N 3.11Å; N642-S644 PolarHBondContact OD1-N 3.44Å; N642-S644 PolarHBondContact OD1-OG 2.89Å; N642-S644 VanDerWaalsContact OD1-OG 3.11Å |
| 645 | S | 61.3 | Low | 61.6 | Low | 92 Ų | 92 | 144 Ų | 144 | 64% | 0.643 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -91.8 | -0 | 170 | -168.8 | 0 | 0 | 0 | 0 | 113.1 | N642 E643 | N642-S645 WeakPolarHBondContact O-CB 3.37Å; N642-S645 PolarHBondContact O-N 2.89Å; E643-S645 PolarHBondContact O-N 2.8Å; E643-S645 VanDerWaalsContact O-N 3.17Å |
| 646 | L | 61.1 | Low | 60.7 | Low | 116 Ų | 116 | 139.6 Ų | 139.6 | 61% | 0.607 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -110 | -12.3 | -171 | -61.3 | 177.3 | 0 | 0 | 0 | 114.3 | E643 S648 | E643-L646 WeakPolarHBondContact O-CB 3.46Å; E643-L646 PolarHBondContact O-N 2.87Å; L646-S648 PolarHBondContact O-N 2.82Å |
| 647 | Q | 54.9 | Low | 59.8 | Low | 136 Ų | 136 | 135.1 Ų | 135.1 | 64% | 0.636 | 73% | 0.726 | S | S | * | * | | | trans | -83.6 | 51.8 | 174.7 | -58.9 | 77.2 | 28.9 | 0 | 0 | 112.6 | E643 | E643-Q647 VanDerWaalsContact O-CD 3.26Å; E643-Q647 PolarHBondContact O-NE2 2.85Å; E643-Q647 PolarHBondContact O-OE1 3.36Å |
| 648 | S | 62.1 | Low | 59 | Low | 114 Ų | 114 | 133.6 Ų | 133.6 | 80% | 0.797 | 72% | 0.722 | S | S | * | * | | | trans | -95.2 | 83.4 | 161.5 | -168.1 | 0 | 0 | 0 | 0 | 108.6 | L646 | L646-S648 PolarHBondContact O-N 2.82Š|
| 649 | T | 61.7 | Low | 57.4 | Low | 127 Ų | 127 | 135.9 Ų | 135.9 | 78% | 0.779 | 73% | 0.726 | S | S | * | * | | | trans | -87.4 | 111 | 178 | -52.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 650 | Y | 48.8 | Very low | 56.2 | Low | 172 Ų | 172 | 137 Ų | 137 | 68% | 0.675 | 73% | 0.733 | S | S | * | * | | | trans | -94.2 | 110.9 | 170.2 | -172 | -92.2 | 0 | 0 | 0 | 109.6 | Y652 | Y650-Y652 AromaticContact CD1-CD2 3.65Å; Y650-Y652 HydrophobicContact CD1-CD2 3.65Å; Y650-Y652 AromaticContact CD1-CE2 3.53Å; Y650-Y652 HydrophobicContact CD1-CE2 3.53Å; Y650-Y652 HydrophobicContact CD1-CG 4.32Å; Y650-Y652 HydrophobicContact CE1-CD1 4.1Å; Y650-Y652 AromaticContact CE1-CD2 3.72Å; Y650-Y652 HydrophobicContact CE1-CD2 3.72Å; Y650-Y652 AromaticContact CE1-CE1 3.95Å; Y650-Y652 HydrophobicContact CE1-CE1 3.95Å; Y650-Y652 AromaticContact CE1-CE2 3.56Å; Y650-Y652 HydrophobicContact CE1-CE2 3.56Å; Y650-Y652 AromaticContact CE1-CG 4Å; Y650-Y652 HydrophobicContact CE1-CG 4Å; Y650-Y652 AromaticContact CE1-CZ 3.68Å |
| 651 | E | 60.2 | Low | 54.8 | Low | 172 Ų | 172 | 137.9 Ų | 137.9 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 122.6 | 178 | -171.9 | 167.9 | -168.8 | 0 | 0 | 109.8 | | |
| 652 | Y | 53.2 | Low | 53.3 | Low | 183 Ų | 183 | 133.8 Ų | 133.8 | 72% | 0.718 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 138.9 | 178.9 | -90.6 | -90 | 0 | 0 | 0 | 111.2 | Y650 | Y650-Y652 AromaticContact CD1-CD2 3.65Å; Y650-Y652 HydrophobicContact CD1-CD2 3.65Å; Y650-Y652 AromaticContact CD1-CE2 3.53Å; Y650-Y652 HydrophobicContact CD1-CE2 3.53Å; Y650-Y652 HydrophobicContact CD1-CG 4.32Å; Y650-Y652 HydrophobicContact CE1-CD1 4.1Å; Y650-Y652 AromaticContact CE1-CD2 3.72Å; Y650-Y652 HydrophobicContact CE1-CD2 3.72Å; Y650-Y652 AromaticContact CE1-CE1 3.95Å; Y650-Y652 HydrophobicContact CE1-CE1 3.95Å; Y650-Y652 AromaticContact CE1-CE2 3.56Å; Y650-Y652 HydrophobicContact CE1-CE2 3.56Å; Y650-Y652 AromaticContact CE1-CG 4Å; Y650-Y652 HydrophobicContact CE1-CG 4Å; Y650-Y652 AromaticContact CE1-CZ 3.68Å |
| 653 | P | 53.3 | Low | 51.8 | Low | 108 Ų | 108 | 137 Ų | 137 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 140.2 | 171.7 | -21.3 | 33.3 | 0 | 0 | 0 | 112.8 | | |
| 654 | S | 51.3 | Low | 50.4 | Low | 112 Ų | 112 | 138.4 Ų | 138.4 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 125.6 | -174.9 | -52.7 | 0 | 0 | 0 | 0 | 114 | S656 | S654-S656 VanDerWaalsContact C-N 3.26Å; S654-S656 PolarHBondContact O-N 3.08Å |
| 655 | E | 53.3 | Low | 49.2 | Very low | 201 Ų | 201 | 141.5 Ų | 141.5 | 94% | 0.939 | 77% | 0.771 | S | S | * | * | | | trans | -81.3 | 31.4 | -173.2 | -56.2 | -174 | 110.1 | 0 | 0 | 115.3 | | |
| 656 | S | 45.3 | Very low | 48.4 | Very low | 104 Ų | 104 | 146 Ų | 146 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | trans | -122.1 | 70.5 | -165.8 | 64.7 | 0 | 0 | 0 | 0 | 114.7 | S654 | S654-S656 VanDerWaalsContact C-N 3.26Å; S654-S656 PolarHBondContact O-N 3.08Å |
| 657 | S | 47.6 | Very low | 47.3 | Very low | 118 Ų | 118 | 148.4 Ų | 148.4 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -160.8 | -0.9 | 170.5 | -165.4 | 0 | 0 | 0 | 0 | 117.1 | | |
| 658 | V | 49.5 | Very low | 46.4 | Very low | 116 Ų | 116 | 146.9 Ų | 146.9 | 70% | 0.703 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -95.6 | -7 | -160.8 | 174.4 | 0 | 0 | 0 | 0 | 114.9 | | |
| 659 | W | 39.6 | Very low | 45.3 | Very low | 246 Ų | 246 | 150.6 Ų | 150.6 | 93% | 0.932 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -132.8 | 66 | -170.4 | -56.3 | 101.7 | 0 | 0 | 0 | 112.9 | | |
| 660 | D | 40 | Very low | 44.2 | Very low | 150 Ų | 150 | 152.9 Ų | 152.9 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | | | trans | -153.6 | 151 | 163.8 | -164 | 2.3 | 0 | 0 | 0 | 109.5 | | |
| 661 | S | 41.3 | Very low | 43.5 | Very low | 120 Ų | 120 | 151.4 Ų | 151.4 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | | | trans | 63 | 130.4 | -168.5 | -52.5 | 0 | 0 | 0 | 0 | 115.6 | | |
| 662 | G | 35.6 | Very low | 42.1 | Very low | 77 Ų | 77 | 146.6 Ų | 146.6 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | | | cis | -165.5 | 168 | -3.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 663 | E | 35.5 | Very low | 41.2 | Very low | 173 Ų | 173 | 144.8 Ų | 144.8 | 81% | 0.808 | 80% | 0.796 | S | S | * | * | | | trans | -107.2 | 174.2 | -177.2 | 61.1 | -139.9 | 138.5 | 0 | 0 | 112.4 | | |
| 664 | E | 37.7 | Very low | 40.6 | Very low | 177 Ų | 177 | 145.6 Ų | 145.6 | 83% | 0.827 | 80% | 0.801 | S | S | * | * | | | trans | 69.2 | 151.4 | 176.6 | -62.1 | 163.8 | -177 | 0 | 0 | 113.9 | | |
| 665 | D | 40.4 | Very low | 39.9 | Very low | 158 Ų | 158 | 145 Ų | 145 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | | | cis | -130.5 | 171.9 | 18.9 | -90.2 | -55.9 | 0 | 0 | 0 | 114 | | |
| 666 | E | 45 | Very low | 39.2 | Very low | 185 Ų | 185 | 143.5 Ų | 143.5 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | | | trans | -85 | 157.3 | 165.3 | -59.9 | 179.8 | 93.2 | 0 | 0 | 111.8 | | |
| 667 | D | 36.7 | Very low | 38.8 | Very low | 168 Ų | 168 | 147.9 Ų | 147.9 | 90% | 0.898 | 81% | 0.81 | S | S | * | * | | | | 174.2 | 166.4 | 116 | -122.1 | -33.4 | 0 | 0 | 0 | 117.3 | | |
| 668 | D | 37.1 | Very low | 38.3 | Very low | 104 Ų | 104 | 151.1 Ų | 151.1 | 56% | 0.556 | 81% | 0.813 | S | S | * | * | | | trans | -67.6 | 132.9 | -169.6 | -164.5 | -28.7 | 0 | 0 | 0 | 118.4 | | |
| 669 | K | 38.4 | Very low | 37.9 | Very low | 192 Ų | 192 | 151.3 Ų | 151.3 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | | | | -160.4 | 168.5 | 129.6 | -128 | 72.7 | 176.7 | -173 | 0 | 114.1 | | |
| 670 | R | 38.9 | Very low | 37.9 | Very low | 174 Ų | 174 | 145.3 Ų | 145.3 | 66% | 0.657 | 81% | 0.812 | S | S | * | * | | | trans | -127.6 | 171.2 | -159.3 | -69.3 | 179.4 | -87.9 | 108.9 | -11.4 | 115.6 | | |
| 671 | D | 33 | Very low | 37.6 | Very low | 142 Ų | 142 | 146.4 Ų | 146.4 | 76% | 0.759 | 81% | 0.814 | S | S | * | * | | | trans | 81.8 | 122.8 | 155.5 | -53.9 | -52 | 0 | 0 | 0 | 117.5 | | |
| 672 | G | 32.6 | Very low | 37.8 | Very low | 71 Ų | 71 | 147.4 Ų | 147.4 | 73% | 0.732 | 82% | 0.815 | S | S | * | * | | | trans | -173.8 | -26.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 124.3 | | |
| 673 | T | 34 | Very low | 37.9 | Very low | 145 Ų | 145 | 146.3 Ų | 146.3 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | | | trans | 75.6 | 140.7 | -176.1 | -38.6 | 0 | 0 | 0 | 0 | 115.7 | | |
| 674 | P | 39.2 | Very low | 38.1 | Very low | 124 Ų | 124 | 148.2 Ų | 148.2 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | | | trans | -94.8 | 154.6 | -175.4 | 36.5 | -36.2 | 0 | 0 | 0 | 115.6 | | |
| 675 | A | 36.5 | Very low | 38.1 | Very low | 100 Ų | 100 | 149 Ų | 149 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | | | trans | -144.7 | 153.4 | 161.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | E677 | A675-E677 PolarHBondContact O-N 2.81Š|
| 676 | D | 38.5 | Very low | 37.9 | Very low | 170 Ų | 170 | 148.6 Ų | 148.6 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | | | trans | -76.7 | 113.6 | -171.1 | -63.9 | -75.7 | 0 | 0 | 0 | 114.3 | | |
| 677 | E | 38.4 | Very low | 37.9 | Very low | 195 Ų | 195 | 147 Ų | 147 | 91% | 0.911 | 79% | 0.793 | S | S | * | * | | | trans | -138.6 | 151.1 | 155 | -74.7 | -155.1 | 115.9 | 0 | 0 | 111.1 | A675 | A675-E677 PolarHBondContact O-N 2.81Š|
| 678 | Q | 37.3 | Very low | 37.7 | Very low | 187 Ų | 187 | 144.7 Ų | 144.7 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | | | trans | -90.9 | 141.7 | -175.7 | -66.6 | -159.1 | -13.3 | 0 | 0 | 113 | S680 | Q678-S680 PolarHBondContact O-N 3.36Š|
| 679 | P | 39.4 | Very low | 37.8 | Very low | 120 Ų | 120 | 151 Ų | 151 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | | | trans | -73.3 | 92.7 | 178.2 | 30 | -34.9 | 0 | 0 | 0 | 112 | M681 | P679-M681 PolarHBondContact O-N 2.69Š|
| 680 | S | 40.7 | Very low | 37.6 | Very low | 119 Ų | 119 | 147.6 Ų | 147.6 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | | | trans | -73.8 | 98.4 | 167.2 | -173.9 | 0 | 0 | 0 | 0 | 110.3 | Q678 | Q678-S680 PolarHBondContact O-N 3.36Š|
| 681 | M | 34.1 | Very low | 37.2 | Very low | 173 Ų | 173 | 142.8 Ų | 142.8 | 85% | 0.852 | 81% | 0.806 | S | S | * | * | | | trans | -132 | 84.9 | -178.3 | -80.5 | -73.6 | -78.4 | 0 | 0 | 111.3 | P679 | P679-M681 PolarHBondContact O-N 2.69Š|
| 682 | V | 44.6 | Very low | 37.4 | Very low | 141 Ų | 141 | 144.1 Ų | 144.1 | 86% | 0.855 | 81% | 0.812 | S | S | * | * | | | trans | -128 | 133.3 | 165.7 | 178.8 | 0 | 0 | 0 | 0 | 108.5 | R684 | V682-R684 PolarHBondContact O-N 3.11Š|
| 683 | G | 38.2 | Very low | 37.5 | Very low | 54 Ų | 54 | 147.4 Ų | 147.4 | 56% | 0.557 | 82% | 0.817 | S | S | * | * | | | trans | -56.6 | 128.6 | -169 | 0 | 0 | 0 | 0 | 0 | 114.2 | F685 | G683-F685 VanDerWaalsContact O-CD2 3.27Å; G683-F685 WeakPolarHBondContact O-CD2 3.14Å; G683-F685 PolarHBondContact O-N 2.76Å; G683-F685 VanDerWaalsContact O-N 3.08Å |
| 684 | R | 39.7 | Very low | 37.7 | Very low | 214 Ų | 214 | 143.8 Ų | 143.8 | 81% | 0.808 | 81% | 0.809 | S | S | * | * | | | trans | -81.6 | 83.2 | -178.5 | -164.7 | 179.1 | -159 | 179 | 10.6 | 111 | V682 H686 | V682-R684 PolarHBondContact O-N 3.11Å; R684-H686 WeakPolarHBondContact CD-NE2 3.02Å; R684-H686 PolarHBondContact O-CD2 3.49Å; R684-H686 VanDerWaalsContact O-CD2 3.31Å; R684-H686 PolarHBondContact O-N 3.24Å |
| 685 | F | 36.6 | Very low | 37.3 | Very low | 193 Ų | 193 | 143.3 Ų | 143.3 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | | | trans | -63.6 | 105.7 | 175.1 | -65.8 | -81.1 | 0 | 0 | 0 | 111.1 | G683 | G683-F685 VanDerWaalsContact O-CD2 3.27Å; G683-F685 WeakPolarHBondContact O-CD2 3.14Å; G683-F685 PolarHBondContact O-N 2.76Å; G683-F685 VanDerWaalsContact O-N 3.08Å |
| 686 | H | 37 | Very low | 37.5 | Very low | 150 Ų | 150 | 144 Ų | 144 | 69% | 0.694 | 80% | 0.804 | S | S | * | * | | | trans | -85.4 | 111.5 | 176.6 | -86.7 | -96.2 | 0 | 0 | 0 | 111 | R684 | R684-H686 WeakPolarHBondContact CD-NE2 3.02Å; R684-H686 PolarHBondContact O-CD2 3.49Å; R684-H686 VanDerWaalsContact O-CD2 3.31Å; R684-H686 PolarHBondContact O-N 3.24Å |
| 687 | I | 44.3 | Very low | 37.5 | Very low | 150 Ų | 150 | 141.5 Ų | 141.5 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 121.3 | 169.6 | -57.1 | 173.9 | 0 | 0 | 0 | 108.4 | R689 | I687-R689 PolarHBondContact O-N 3.01Š|
| 688 | P | 34 | Very low | 37.2 | Very low | 121 Ų | 121 | 140.4 Ų | 140.4 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 123.8 | 177.3 | 28.1 | -33.2 | 0 | 0 | 0 | 110.5 | | |
| 689 | R | 38.3 | Very low | 37 | Very low | 235 Ų | 235 | 135.8 Ų | 135.8 | 89% | 0.887 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 131.9 | 173.2 | -69.1 | -178 | 174.2 | -174.9 | -2.9 | 109.9 | I687 G691 | I687-R689 PolarHBondContact O-N 3.01Å; R689-G691 PolarHBondContact O-N 2.98Å |
| 690 | P | 35.1 | Very low | 36.7 | Very low | 121 Ų | 121 | 137.9 Ų | 137.9 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 124.2 | 169.6 | 28.3 | -32.8 | 0 | 0 | 0 | 109.8 | | |
| 691 | G | 30.1 | Very low | 36.4 | Very low | 74 Ų | 74 | 139.4 Ų | 139.4 | 76% | 0.763 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 124.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | R689 | R689-G691 PolarHBondContact O-N 2.98Š|
| 692 | L | 36.7 | Very low | 36.5 | Very low | 169 Ų | 169 | 134.9 Ų | 134.9 | 89% | 0.885 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -85 | 136.3 | 165.3 | -85.4 | 76.3 | 0 | 0 | 0 | 109.9 | | |
| 693 | V | 35.4 | Very low | 36.2 | Very low | 140 Ų | 140 | 135.2 Ų | 135.2 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 134.2 | 179 | 176.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 694 | G | 37.8 | Very low | 36.6 | Very low | 69 Ų | 69 | 138.6 Ų | 138.6 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 138.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 695 | S | 30.1 | Very low | 36.8 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | -162.6 | 162 | 171.7 | -93.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 696 | P | 41.8 | Very low | 37.2 | Very low | 113 Ų | 113 | 132.8 Ų | 132.8 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | | | trans | -112.3 | 160.9 | -132.1 | 6.3 | 16.1 | 0 | 0 | 0 | 117.5 | | |
| 697 | V | 38.2 | Very low | 37.8 | Very low | 119 Ų | 119 | 131.1 Ų | 131.1 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | | | trans | 16 | 114.9 | 148 | -156.4 | 0 | 0 | 0 | 0 | 118 | | |
| 698 | H | 32.6 | Very low | 37.8 | Very low | 172 Ų | 172 | 133.9 Ų | 133.9 | 80% | 0.796 | 79% | 0.786 | S | S | * | * | | | | -177 | 144.5 | 108.3 | -106.8 | -78.2 | 0 | 0 | 0 | 115.9 | | |
| 699 | S | 31.1 | Very low | 38.7 | Very low | 90 Ų | 90 | 134.6 Ų | 134.6 | 63% | 0.629 | 78% | 0.782 | S | S | * | * | | | trans | 66.5 | 103.9 | 147.5 | -57.5 | 0 | 0 | 0 | 0 | 122.7 | | |
| 700 | E | 33.4 | Very low | 39.2 | Very low | 164 Ų | 164 | 126.9 Ų | 126.9 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | | | | 86.9 | 132.2 | 124.3 | -72 | -167.6 | -158.5 | 0 | 0 | 124 | | |
| 701 | N | 35.3 | Very low | 40 | Very low | 151 Ų | 151 | 130.4 Ų | 130.4 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | | | trans | 74.2 | 98.6 | 152.2 | -55.9 | -32 | 0 | 0 | 0 | 119.8 | | |
| 702 | G | 36.6 | Very low | 41.2 | Very low | 78 Ų | 78 | 135.3 Ų | 135.3 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | | | trans | 169.7 | 79.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 703 | N | 37.5 | Very low | 41.9 | Very low | 148 Ų | 148 | 131.3 Ų | 131.3 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | | | trans | -62.7 | 158.1 | 165 | -83.2 | 48.2 | 0 | 0 | 0 | 111.1 | | |
| 704 | D | 47.7 | Very low | 42.8 | Very low | 125 Ų | 125 | 129.3 Ų | 129.3 | 67% | 0.668 | 74% | 0.742 | S | S | * | * | | | cis | -153.6 | -170.4 | 11.4 | -137.9 | -50.2 | 0 | 0 | 0 | 111.9 | | |
| 705 | L | 44 | Very low | 43.6 | Very low | 167 Ų | 167 | 132 Ų | 132 | 87% | 0.874 | 74% | 0.74 | S | S | * | * | | | trans | 82.7 | 56.4 | 171.5 | -51.6 | -178.2 | 0 | 0 | 0 | 117.5 | | |
| 706 | S | 43.4 | Very low | 44.4 | Very low | 118 Ų | 118 | 135.5 Ų | 135.5 | 83% | 0.825 | 74% | 0.741 | S | S | * | * | | | trans | -135.6 | 94.3 | 157.2 | -177.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 707 | S | 49.6 | Very low | 44.9 | Very low | 114 Ų | 114 | 136.5 Ų | 136.5 | 80% | 0.797 | 74% | 0.74 | S | S | * | * | | | trans | -173.5 | 58.4 | 167.3 | 43.8 | 0 | 0 | 0 | 0 | 114.3 | | |
| 708 | Y | 45.1 | Very low | 45.6 | Very low | 209 Ų | 209 | 134.3 Ų | 134.3 | 82% | 0.82 | 73% | 0.727 | S | S | * | * | | | trans | -114.4 | 92 | 158.7 | -166.5 | -96.2 | 0 | 0 | 0 | 111 | P710 | Y708-P710 HydrophobicContact CD1-CG 4.26Å; Y708-P710 HydrophobicContact CE1-CB 4.43Å; Y708-P710 HydrophobicContact CE1-CG 4.01Å |
| 709 | I | 52.7 | Low | 46.2 | Very low | 136 Ų | 136 | 136.6 Ų | 136.6 | 70% | 0.697 | 73% | 0.729 | S | S | * | * | | | trans | -95.8 | 115.2 | 169.8 | -60.2 | 174 | 0 | 0 | 0 | 107.2 | K711 | I709-K711 PolarHBondContact O-N 3.1Å; I709-K711 VanDerWaalsContact O-N 3.14Å |
| 710 | P | 49.3 | Very low | 47.1 | Very low | 72 Ų | 72 | 139.9 Ų | 139.9 | 47% | 0.468 | 73% | 0.734 | S | S | . | * | | | trans | -63.7 | 113.9 | 176.4 | -19.7 | 31.9 | 0 | 0 | 0 | 110.4 | Y708 H712 S713 | Y708-P710 HydrophobicContact CD1-CG 4.26Å; Y708-P710 HydrophobicContact CE1-CB 4.43Å; Y708-P710 HydrophobicContact CE1-CG 4.01Å; P710-H712 PolarHBondContact O-N 2.76Å; P710-S713 PolarHBondContact O-N 2.99Å; P710-S713 PolarHBondContact O-OG 3.27Å |
| 711 | K | 50.6 | Low | 47.6 | Very low | 195 Ų | 195 | 139.1 Ų | 139.1 | 85% | 0.848 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | 17.7 | -173.2 | -71.3 | -157.4 | 172.5 | -167.8 | 0 | 116.2 | I709 | I709-K711 PolarHBondContact O-N 3.1Å; I709-K711 VanDerWaalsContact O-N 3.14Å |
| 712 | H | 55.8 | Low | 47.9 | Very low | 177 Ų | 177 | 138.7 Ų | 138.7 | 82% | 0.819 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136 | 17.3 | -179.7 | -61.7 | -54.8 | 0 | 0 | 0 | 113.9 | P710 V714 | P710-H712 PolarHBondContact O-N 2.76Å; H712-V714 PolarHBondContact O-N 3.07Å; H712-V714 VanDerWaalsContact O-N 3.1Å |
| 713 | S | 51.7 | Low | 48.3 | Very low | 86 Ų | 86 | 143.9 Ų | 143.9 | 60% | 0.601 | 73% | 0.729 | S | S | * | * | | | trans | -72.4 | 96.6 | 162.5 | 55.6 | 0 | 0 | 0 | 0 | 109.5 | P710 | P710-S713 PolarHBondContact O-N 2.99Å; P710-S713 PolarHBondContact O-OG 3.27Å |
| 714 | V | 54.1 | Low | 48.8 | Very low | 98 Ų | 98 | 144.1 Ų | 144.1 | 59% | 0.594 | 73% | 0.725 | S | S | * | * | | | trans | -81.3 | 124.6 | 172.8 | 176.1 | 0 | 0 | 0 | 0 | 108.8 | H712 F716 T718 | H712-V714 PolarHBondContact O-N 3.07Å; H712-V714 VanDerWaalsContact O-N 3.1Å; V714-F716 PolarHBondContact O-N 3.48Å; V714-T718 WeakPolarHBondContact CG1-OG1 3.3Å |
| 715 | D | 54.6 | Low | 48.4 | Very low | 125 Ų | 125 | 146 Ų | 146 | 67% | 0.668 | 73% | 0.73 | S | S | * | * | | | trans | -64.7 | 133.7 | -179.1 | -70.8 | -56.7 | 0 | 0 | 0 | 112.1 | N717 T718 | D715-N717 PolarHBondContact O-N 3.33Å; D715-T718 PolarHBondContact O-N 2.9Å; D715-T718 PolarHBondContact O-OG1 3.22Å |
| 716 | F | 46.5 | Very low | 48 | Very low | 189 Ų | 189 | 145.7 Ų | 145.7 | 83% | 0.829 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -19 | -166.1 | -159.5 | -98.5 | 0 | 0 | 0 | 114.8 | V714 | V714-F716 PolarHBondContact O-N 3.48Š|
| 717 | N | 52.4 | Low | 47.8 | Very low | 133 Ų | 133 | 149 Ų | 149 | 71% | 0.711 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -26.5 | 177.2 | -71.2 | -9.1 | 0 | 0 | 0 | 113.6 | D715 W719 Q720 | D715-N717 PolarHBondContact O-N 3.33Å; N717-W719 PolarHBondContact O-N 3.14Å; N717-W719 VanDerWaalsContact O-N 3.11Å; N717-Q720 PolarHBondContact O-N 2.8Å |
| 718 | T | 52.7 | Low | 47 | Very low | 73 Ų | 73 | 149.7 Ų | 149.7 | 45% | 0.448 | 73% | 0.727 | S | S | . | * | H | α-helix | trans | -68.7 | -11.9 | -174.8 | 58 | 0 | 0 | 0 | 0 | 114.2 | V714 D715 | V714-T718 WeakPolarHBondContact CG1-OG1 3.3Å; D715-T718 PolarHBondContact O-N 2.9Å; D715-T718 PolarHBondContact O-OG1 3.22Å |
| 719 | W | 45.6 | Very low | 46.5 | Very low | 220 Ų | 220 | 150.3 Ų | 150.3 | 83% | 0.833 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -87.1 | -5.1 | 177.1 | -89.6 | 81.7 | 0 | 0 | 0 | 115.2 | N717 | N717-W719 PolarHBondContact O-N 3.14Å; N717-W719 VanDerWaalsContact O-N 3.11Å |
| 720 | Q | 49.6 | Very low | 45.4 | Very low | 160 Ų | 160 | 151.6 Ų | 151.6 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -100 | -36.5 | 172.8 | -68 | -161.1 | 36.1 | 0 | 0 | 113.7 | N717 | N717-Q720 PolarHBondContact O-N 2.8Å |
| 721 | E | 44.4 | Very low | 44.8 | Very low | 148 Ų | 148 | 154 Ų | 154 | 69% | 0.692 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -74.8 | -30 | -169.2 | -165.1 | 158.6 | -137.4 | 0 | 0 | 113.5 | K723 Q724 | E721-K723 PolarHBondContact O-N 3.08Å; E721-Q724 PolarHBondContact O-N 3.11Å |
| 722 | N | 41.8 | Very low | 43.9 | Very low | 142 Ų | 142 | 152.3 Ų | 152.3 | 76% | 0.759 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | 24.8 | -178.3 | -154.9 | 21.6 | 0 | 0 | 0 | 114.6 | | |
| 723 | K | 44.8 | Very low | 43.5 | Very low | 187 Ų | 187 | 148.3 Ų | 148.3 | 81% | 0.813 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.1 | -4.6 | 174.3 | -139.6 | 179.9 | -174.8 | -178 | 0 | 112.8 | E721 | E721-K723 PolarHBondContact O-N 3.08Š|
| 724 | Q | 47.6 | Very low | 42.3 | Very low | 153 Ų | 153 | 150.7 Ų | 150.7 | 72% | 0.715 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -109.1 | -27.8 | -171.8 | -107.6 | 66.7 | 6.9 | 0 | 0 | 114.8 | E721 | E721-Q724 PolarHBondContact O-N 3.11Š|
| 725 | E | 41.1 | Very low | 41.2 | Very low | 165 Ų | 165 | 151.4 Ų | 151.4 | 77% | 0.771 | 74% | 0.743 | S | S | * | * | | | trans | -108.2 | 0.4 | -163 | -60.6 | -153.9 | 133 | 0 | 0 | 117 | K727 | E725-K727 PolarHBondContact O-N 3.17Š|
| 726 | D | 35.5 | Very low | 40.8 | Very low | 160 Ų | 160 | 150.8 Ų | 150.8 | 86% | 0.856 | 75% | 0.746 | S | S | * | * | | | trans | -76.3 | 66.5 | 179.3 | -165.8 | 13.8 | 0 | 0 | 0 | 113 | | |
| 727 | K | 38.7 | Very low | 40.2 | Very low | 188 Ų | 188 | 150.2 Ų | 150.2 | 82% | 0.817 | 75% | 0.746 | S | S | * | * | | | trans | -151.3 | 86.5 | 171.3 | -75.2 | -174.4 | 179.4 | 173.8 | 0 | 110.5 | E725 | E725-K727 PolarHBondContact O-N 3.17Š|
| 728 | V | 32.6 | Very low | 39.6 | Very low | 127 Ų | 127 | 149.8 Ų | 149.8 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | | | trans | -175.3 | 107.6 | 145.9 | 140.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 729 | Y | 33.8 | Very low | 38.7 | Very low | 223 Ų | 223 | 153.7 Ų | 153.7 | 88% | 0.875 | 77% | 0.772 | S | S | * | * | | | trans | 67.1 | 150.4 | 147.9 | -73.4 | -96.5 | 0 | 0 | 0 | 125.1 | | |
| 730 | Q | 30.9 | Very low | 38.2 | Very low | 163 Ų | 163 | 152 Ų | 152 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | | | trans | -98.4 | -168.9 | 169.4 | -62 | -177.6 | -79 | 0 | 0 | 109.7 | | |
| 731 | E | 36.8 | Very low | 37.6 | Very low | 121 Ų | 121 | 152.7 Ų | 152.7 | 57% | 0.565 | 78% | 0.777 | S | S | * | * | | | cis | -173.8 | 137.1 | 37.2 | -168.8 | 160.8 | -148.8 | 0 | 0 | 112.8 | G82 | G82-E731 WeakPolarHBondContact CA-OE1 3.46Š|
| 732 | E | 31.2 | Very low | 37.5 | Very low | 160 Ų | 160 | 152.1 Ų | 152.1 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | | | trans | 29.1 | -171.5 | 137 | -106.5 | -132.4 | 118 | 0 | 0 | 123.3 | | |
| 733 | P | 47.3 | Very low | 37.4 | Very low | 94 Ų | 94 | 153.6 Ų | 153.6 | 61% | 0.61 | 79% | 0.787 | S | S | * | * | | | cis | -131.7 | 176.9 | -11 | 27.5 | -4.7 | 0 | 0 | 0 | 117.3 | | |
| 734 | T | 27.2 | Very low | 37.1 | Very low | 136 Ų | 136 | 152.7 Ų | 152.7 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | | | | 172.8 | 126.7 | 128.1 | 27.9 | 0 | 0 | 0 | 0 | 113.8 | | |
| 735 | S | 30.3 | Very low | 36.8 | Very low | 112 Ų | 112 | 151.7 Ų | 151.7 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | | | trans | -166.2 | 134.9 | 173 | -177 | 0 | 0 | 0 | 0 | 116.8 | | |
| 736 | P | 46.3 | Very low | 37.3 | Very low | 113 Ų | 113 | 149.1 Ų | 149.1 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | | | trans | -130.4 | -173.9 | 150.7 | 43.9 | -32.3 | 0 | 0 | 0 | 111 | | |
| 737 | Q | 34.3 | Very low | 37.4 | Very low | 177 Ų | 177 | 145.9 Ų | 145.9 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | | | cis | -148.8 | -148.1 | 4.4 | -150.8 | 169.5 | -26.9 | 0 | 0 | 110.9 | | |
| 738 | V | 38.3 | Very low | 37.2 | Very low | 123 Ų | 123 | 144.9 Ų | 144.9 | 75% | 0.745 | 79% | 0.791 | S | S | * | * | | | trans | -149.4 | 161.2 | -169.6 | -61.8 | 0 | 0 | 0 | 0 | 114.2 | | |
| 739 | T | 34.9 | Very low | 37.6 | Very low | 156 Ų | 156 | 143.9 Ų | 143.9 | 96% | 0.957 | 79% | 0.79 | S | S | * | * | | | trans | -163.2 | 178.2 | 149.4 | 15.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 740 | E | 35.9 | Very low | 37.6 | Very low | 184 Ų | 184 | 139.1 Ų | 139.1 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | | | trans | -128.5 | -173.9 | -157.1 | -171.5 | 170.4 | -171.1 | 0 | 0 | 113.1 | | |
| 741 | E | 36.6 | Very low | 38.1 | Very low | 175 Ų | 175 | 136.5 Ų | 136.5 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | 100 | 160.2 | 158.4 | -58.1 | -165.5 | -178.9 | 0 | 0 | 122.1 | | |
| 742 | V | 41.4 | Very low | 38.5 | Very low | 136 Ų | 136 | 138.3 Ų | 138.3 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | | | trans | 82.5 | 106.3 | 165 | -164.5 | 0 | 0 | 0 | 0 | 119.1 | | |
| 743 | M | 39.7 | Very low | 39 | Very low | 172 Ų | 172 | 135.5 Ų | 135.5 | 85% | 0.847 | 80% | 0.8 | S | S | * | * | | | trans | -63.9 | 158.4 | 170 | -52.4 | -134.7 | -60.9 | 0 | 0 | 114.1 | | |
| 744 | L | 37.9 | Very low | 38.8 | Very low | 169 Ų | 169 | 137.7 Ų | 137.7 | 89% | 0.885 | 81% | 0.807 | S | S | * | * | | | | -167.9 | 137.3 | 126.7 | -105.2 | 174.5 | 0 | 0 | 0 | 113.4 | | |
| 745 | T | 41.3 | Very low | 39.4 | Very low | 131 Ų | 131 | 141 Ų | 141 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | | | trans | -163.8 | 158.4 | 166.6 | -3.2 | 0 | 0 | 0 | 0 | 105.7 | | |
| 746 | P | 53.2 | Low | 39.8 | Very low | 112 Ų | 112 | 140.4 Ų | 140.4 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | | | cis | -132.8 | -169.9 | 2.7 | 43.5 | -27.3 | 0 | 0 | 0 | 114.5 | | |
| 747 | A | 36.4 | Very low | 39.7 | Very low | 91 Ų | 91 | 140.2 Ų | 140.2 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | | | trans | 71.7 | 135.5 | 151.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 748 | D | 34.8 | Very low | 40.4 | Very low | 167 Ų | 167 | 139.6 Ų | 139.6 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | | | | -146.7 | 155.9 | 122.7 | -138.6 | -25.1 | 0 | 0 | 0 | 109.7 | | |
| 749 | S | 40.7 | Very low | 41.4 | Very low | 107 Ų | 107 | 140 Ų | 140 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | | | trans | -148.6 | 90.4 | -169.7 | 63.8 | 0 | 0 | 0 | 0 | 114.7 | | |
| 750 | S | 33.8 | Very low | 42 | Very low | 122 Ų | 122 | 135.5 Ų | 135.5 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | | | trans | -168.6 | 119 | 161.2 | -173.6 | 0 | 0 | 0 | 0 | 112.6 | | |
| 751 | S | 41.5 | Very low | 42.6 | Very low | 109 Ų | 109 | 135 Ų | 135 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | | | | 175.4 | 117.5 | 118.5 | -160.5 | 0 | 0 | 0 | 0 | 110.5 | | |
| 752 | L | 46.5 | Very low | 42.9 | Very low | 159 Ų | 159 | 135.6 Ų | 135.6 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | | | trans | -90.4 | 178.8 | 155.4 | -78.8 | 161.8 | 0 | 0 | 0 | 108.6 | | |
| 753 | S | 41.3 | Very low | 43 | Very low | 101 Ų | 101 | 141.5 Ų | 141.5 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | | | trans | 66.5 | 148 | 172.3 | 18.5 | 0 | 0 | 0 | 0 | 114.9 | | |
| 754 | D | 41.6 | Very low | 43.1 | Very low | 139 Ų | 139 | 140 Ų | 140 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | | | cis | -153.9 | 179.3 | 5 | -109.6 | -29.8 | 0 | 0 | 0 | 111.8 | | |
| 755 | Y | 39.7 | Very low | 43.4 | Very low | 205 Ų | 205 | 138.5 Ų | 138.5 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | trans | 71.3 | 121.8 | 179.2 | -63.8 | -95.2 | 0 | 0 | 0 | 114.3 | | |
| 756 | S | 39.8 | Very low | 43.5 | Very low | 101 Ų | 101 | 138.9 Ų | 138.9 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | | | cis | 64.4 | 141.1 | 44.7 | 98.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 757 | S | 44.3 | Very low | 43 | Very low | 108 Ų | 108 | 140.5 Ų | 140.5 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | | | cis | -147 | -166.6 | 17.3 | 59.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 758 | E | 48.2 | Very low | 43.4 | Very low | 164 Ų | 164 | 143.6 Ų | 143.6 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | | | trans | -56.3 | 164.5 | 166 | -55.4 | -178.8 | 150.9 | 0 | 0 | 112.7 | | |
| 759 | P | 58.9 | Low | 44 | Very low | 133 Ų | 133 | 142 Ų | 142 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | | | | -123.4 | 124.7 | 122.5 | 34.2 | -30.7 | 0 | 0 | 0 | 112.8 | | |
| 760 | A | 48.2 | Very low | 44.2 | Very low | 60 Ų | 60 | 144.5 Ų | 144.5 | 50% | 0.496 | 79% | 0.791 | S | S | . | * | | | trans | -88.2 | 136.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 761 | L | 49 | Very low | 45 | Very low | 173 Ų | 173 | 146.2 Ų | 146.2 | 91% | 0.906 | 79% | 0.786 | S | S | * | * | | | trans | -135.4 | 103 | 153.9 | -68 | 177 | 0 | 0 | 0 | 104.1 | | |
| 762 | Y | 41.9 | Very low | 45.3 | Very low | 188 Ų | 188 | 149.3 Ų | 149.3 | 74% | 0.737 | 79% | 0.788 | S | S | * | * | | | cis | 72.4 | 79.8 | 38 | -122.2 | -87.2 | 0 | 0 | 0 | 112.8 | | |
| 763 | F | 43.8 | Very low | 45.2 | Very low | 261 Ų | 261 | 148.5 Ų | 148.5 | 100% | 1.145 | 78% | 0.784 | S | S | * | * | | | trans | 52.9 | 0 | 164 | -63.2 | -81 | 0 | 0 | 0 | 119 | | |