| 1 | M | 44.7 | Very low | 62.6 | Low | 221 Ų | 221 | 148.2 Ų | 148.2 | 100% | 1.089 | 77% | 0.77 | S | S | * | * | | | | 0 | 92.5 | 0 | -86.6 | -173.1 | 73 | 0 | 0 | 105 | | |
| 2 | D | 46.3 | Very low | 63.3 | Low | 152 Ų | 152 | 150.7 Ų | 150.7 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | | | trans | -115.2 | 76.7 | -156.2 | -56.9 | -92.6 | 0 | 0 | 0 | 105.9 | V4 | D2-V4 PolarHBondContact O-N 2.9Š|
| 3 | S | 52.3 | Low | 64.3 | Low | 114 Ų | 114 | 154.3 Ų | 154.3 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | | | trans | -71.6 | 80.9 | 176.7 | 51.9 | 0 | 0 | 0 | 0 | 108.8 | E5 | S3-E5 VanDerWaalsContact C-N 3.27Å; S3-E5 PolarHBondContact O-N 3.2Å |
| 4 | V | 58.4 | Low | 64.9 | Low | 130 Ų | 130 | 150.4 Ų | 150.4 | 79% | 0.788 | 78% | 0.781 | S | S | * | * | | | trans | -71.8 | 90.1 | 168 | -175.3 | 0 | 0 | 0 | 0 | 106.9 | D2 E6 | D2-V4 PolarHBondContact O-N 2.9Å; V4-E6 PolarHBondContact O-N 3.2Å |
| 5 | E | 63.9 | Low | 65.9 | Low | 178 Ų | 178 | 155.6 Ų | 155.6 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | | | trans | -65.2 | 98.1 | 172.4 | -174.2 | 119.2 | -138.5 | 0 | 0 | 108.4 | S3 P7 | S3-E5 VanDerWaalsContact C-N 3.27Å; S3-E5 PolarHBondContact O-N 3.2Å; E5-P7 WeakPolarHBondContact O-CD 3.35Å |
| 6 | E | 70.4 | Confident | 66.9 | Low | 127 Ų | 127 | 158.6 Ų | 158.6 | 59% | 0.593 | 79% | 0.793 | S | S | * | * | | | trans | -65.8 | 122.4 | 178.7 | -171.7 | 178.2 | 172.9 | 0 | 0 | 109 | V4 Q8 K9 | V4-E6 PolarHBondContact O-N 3.2Å; E6-Q8 PolarHBondContact O-N 3.43Å; E6-Q8 VanDerWaalsContact O-N 3.09Å; E6-K9 IonicContact OE1-NZ 2.65Å; E6-K9 PolarHBondContact OE1-NZ 3.16Å |
| 7 | P | 63.5 | Low | 67.8 | Low | 102 Ų | 102 | 156 Ų | 156 | 66% | 0.662 | 79% | 0.787 | S | S | * | * | | | trans | -64.6 | 117.3 | -177 | 25.3 | -33.7 | 0 | 0 | 0 | 109.8 | E5 K9 | E5-P7 WeakPolarHBondContact O-CD 3.35Å; P7-K9 PolarHBondContact O-N 2.99Å |
| 8 | Q | 68.4 | Low | 69 | Low | 170 Ų | 170 | 153.6 Ų | 153.6 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | | | trans | -54.2 | 107.9 | -177.1 | -67.6 | -179 | -8 | 0 | 0 | 111.2 | E6 K10 | E6-Q8 PolarHBondContact O-N 3.43Å; E6-Q8 VanDerWaalsContact O-N 3.09Å; Q8-K10 PolarHBondContact O-N 3.01Å |
| 9 | K | 70.8 | Confident | 70.3 | Confident | 159 Ų | 159 | 154.7 Ų | 154.7 | 69% | 0.691 | 77% | 0.769 | S | S | * | * | | | trans | -70.6 | 89.2 | -179.9 | -68.6 | 161.7 | -176.6 | 150.1 | 0 | 109.7 | E6 P7 V11 | E6-K9 IonicContact OE1-NZ 2.65Å; E6-K9 PolarHBondContact OE1-NZ 3.16Å; P7-K9 PolarHBondContact O-N 2.99Å; K9-V11 PolarHBondContact O-N 3.36Å |
| 10 | K | 76.3 | Confident | 71.3 | Confident | 154 Ų | 154 | 150.9 Ų | 150.9 | 67% | 0.67 | 76% | 0.762 | S | S | * | * | | | trans | -70.2 | 91.2 | 178 | -66.1 | -176.4 | -178.4 | -178.2 | 0 | 110.4 | Q8 F12 | Q8-K10 PolarHBondContact O-N 3.01Å; K10-F12 HydrophobicContact CB-CD2 4.28Å; K10-F12 HydrophobicContact CB-CE2 3.75Å; K10-F12 HydrophobicContact CB-CZ 4.37Å; K10-F12 VanDerWaalsContact O-CD2 3.24Å; K10-F12 WeakPolarHBondContact O-CD2 3.47Å; K10-F12 PolarHBondContact O-N 3.37Å; K10-F12 VanDerWaalsContact O-N 3.13Å |
| 11 | V | 73.3 | Confident | 72.4 | Confident | 123 Ų | 123 | 146.7 Ų | 146.7 | 75% | 0.745 | 75% | 0.747 | S | S | * | * | | | trans | -75.8 | 96.3 | 176.2 | -177.5 | 0 | 0 | 0 | 0 | 109.8 | K9 K13 | K9-V11 PolarHBondContact O-N 3.36Å; V11-K13 PolarHBondContact O-N 3.11Å; V11-K13 VanDerWaalsContact O-N 3.14Å |
| 12 | F | 71.5 | Confident | 74.9 | Confident | 178 Ų | 178 | 137.9 Ų | 137.9 | 78% | 0.781 | 70% | 0.704 | S | S | * | * | | | trans | -76.2 | 96.5 | 174.5 | -71.5 | -87 | 0 | 0 | 0 | 110.8 | K10 A14 | K10-F12 HydrophobicContact CB-CD2 4.28Å; K10-F12 HydrophobicContact CB-CE2 3.75Å; K10-F12 HydrophobicContact CB-CZ 4.37Å; K10-F12 VanDerWaalsContact O-CD2 3.24Å; K10-F12 WeakPolarHBondContact O-CD2 3.47Å; K10-F12 PolarHBondContact O-N 3.37Å; K10-F12 VanDerWaalsContact O-N 3.13Å; F12-A14 PolarHBondContact O-N 2.65Å |
| 13 | K | 75.9 | Confident | 77.2 | Confident | 198 Ų | 198 | 138 Ų | 138 | 86% | 0.861 | 69% | 0.693 | S | S | * | * | | | trans | -67.5 | 92.8 | 169.5 | -80.1 | -166.8 | 171.8 | -170.1 | 0 | 110.5 | V11 R15 | V11-K13 PolarHBondContact O-N 3.11Å; V11-K13 VanDerWaalsContact O-N 3.14Å; K13-R15 PolarHBondContact O-N 2.96Å; K13-R15 VanDerWaalsContact O-N 3.1Å |
| 14 | A | 72.8 | Confident | 79.3 | Confident | 99 Ų | 99 | 138.9 Ų | 138.9 | 82% | 0.818 | 69% | 0.685 | S | S | * | * | | | trans | -72.7 | 96.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | F12 K16 | F12-A14 PolarHBondContact O-N 2.65Å; A14-K16 PolarHBondContact O-N 3.09Å |
| 15 | R | 79.9 | Confident | 81 | Confident | 229 Ų | 229 | 138.5 Ų | 138.5 | 86% | 0.864 | 67% | 0.674 | S | S | * | * | | | trans | -70.2 | 100.8 | 174.4 | -171.8 | 179.5 | -170 | 174 | 5.5 | 110.1 | K13 T17 | K13-R15 PolarHBondContact O-N 2.96Å; K13-R15 VanDerWaalsContact O-N 3.1Å; R15-T17 PolarHBondContact O-N 3.42Å; R15-T17 VanDerWaalsContact O-N 3.14Å |
| 16 | K | 82.8 | Confident | 82.6 | Confident | 203 Ų | 203 | 133.7 Ų | 133.7 | 88% | 0.883 | 65% | 0.654 | S | S | * | * | | | trans | -66.1 | 109.2 | 173.6 | -173.2 | 177.2 | -178.5 | -179 | 0 | 110.1 | A14 | A14-K16 PolarHBondContact O-N 3.09Š|
| 17 | T | 82.1 | Confident | 83.7 | Confident | 115 Ų | 115 | 131.5 Ų | 131.5 | 71% | 0.706 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 139.1 | 168.3 | 47 | 0 | 0 | 0 | 0 | 109.9 | R15 | R15-T17 PolarHBondContact O-N 3.42Å; R15-T17 VanDerWaalsContact O-N 3.14Å |
| 18 | M | 89.1 | Confident | 85.2 | Confident | 112 Ų | 112 | 129.1 Ų | 129.1 | 55% | 0.552 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 150 | 165.2 | -99.6 | -165.2 | -66.9 | 0 | 0 | 109.9 | D22 R23 L26 | M18-D22 HydrophobicContact CB-CB 4.33Å; M18-D22 HydrophobicContact CG-CB 4.05Å; M18-D22 HydrophobicContact SD-CB 3.89Å; M18-R23 HydrophobicContact CE-CB 4.46Å; M18-L26 HydrophobicContact CE-CD2 4.28Å |
| 19 | R | 92.7 | Very high | 86.6 | Confident | 176 Ų | 176 | 125.4 Ų | 125.4 | 66% | 0.664 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 153.9 | 167.9 | -52.5 | 172 | -64.9 | -179.5 | 6.5 | 108.7 | S21 D22 R23 | R19-S21 PolarHBondContact O-N 3.08Å; R19-D22 WeakPolarHBondContact CB-OD2 3.34Å; R19-D22 WeakPolarHBondContact CG-OD2 3.44Å; R19-D22 IonicContact CZ-OD1 3.81Å; R19-D22 VanDerWaalsContact CZ-OD1 3.25Å; R19-D22 IonicContact CZ-OD2 2.66Å; R19-D22 PolarHBondContact N-OD2 3.18Å; R19-D22 IonicContact NE-OD1 3.8Å; R19-D22 PolarHBondContact NE-OD1 3.26Å; R19-D22 IonicContact NE-OD2 2.94Å; R19-D22 PolarHBondContact NE-OD2 3.38Å; R19-D22 IonicContact NH2-OD1 3.25Å; R19-D22 PolarHBondContact NH2-OD1 3Å; R19-D22 IonicContact NH2-OD2 3.18Å; R19-D22 WeakPolarHBondContact O-CB 3.34Å; R19-D22 PolarHBondContact O-N 3.15Å; R19-D22 VanDerWaalsContact O-N 3.09Å; R19-R23 PolarHBondContact O-N 3.07Å; R19-R23 VanDerWaalsContact O-N 3.09Å |
| 20 | A | 91.4 | Very high | 87.8 | Confident | 77 Ų | 77 | 123 Ų | 123 | 64% | 0.636 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -57.4 | -36.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R23 Q24 | A20-R23 PolarHBondContact O-N 3.02Å; A20-Q24 WeakPolarHBondContact O-CG 3.02Å; A20-Q24 PolarHBondContact O-N 3.33Å |
| 21 | S | 94.4 | Very high | 88.6 | Confident | 63 Ų | 63 | 124 Ų | 124 | 44% | 0.441 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -66.8 | -42.7 | 175.5 | -176.7 | 0 | 0 | 0 | 0 | 112.6 | R19 R23 Q24 Q25 | R19-S21 PolarHBondContact O-N 3.08Å; S21-R23 VanDerWaalsContact C-N 3.28Å; S21-R23 PolarHBondContact O-N 2.94Å; S21-Q24 PolarHBondContact O-N 2.91Å; S21-Q25 WeakPolarHBondContact O-CG 3.49Å; S21-Q25 PolarHBondContact O-N 2.88Å |
| 22 | D | 96.1 | Very high | 89.6 | Confident | 37 Ų | 37 | 122.6 Ų | 122.6 | 20% | 0.198 | 61% | 0.606 | C | S | . | * | H | α-helix | trans | -59.8 | -41.6 | 176.5 | -46.5 | -27.6 | 0 | 0 | 0 | 110.5 | M18 R19 Q25 L26 | M18-D22 HydrophobicContact CB-CB 4.33Å; M18-D22 HydrophobicContact CG-CB 4.05Å; M18-D22 HydrophobicContact SD-CB 3.89Å; R19-D22 WeakPolarHBondContact CB-OD2 3.34Å; R19-D22 WeakPolarHBondContact CG-OD2 3.44Å; R19-D22 IonicContact CZ-OD1 3.81Å; R19-D22 VanDerWaalsContact CZ-OD1 3.25Å; R19-D22 IonicContact CZ-OD2 2.66Å; R19-D22 PolarHBondContact N-OD2 3.18Å; R19-D22 IonicContact NE-OD1 3.8Å; R19-D22 PolarHBondContact NE-OD1 3.26Å; R19-D22 IonicContact NE-OD2 2.94Å; R19-D22 PolarHBondContact NE-OD2 3.38Å; R19-D22 IonicContact NH2-OD1 3.25Å; R19-D22 PolarHBondContact NH2-OD1 3Å; R19-D22 IonicContact NH2-OD2 3.18Å; R19-D22 WeakPolarHBondContact O-CB 3.34Å; R19-D22 PolarHBondContact O-N 3.15Å; R19-D22 VanDerWaalsContact O-N 3.09Å; D22-Q25 PolarHBondContact O-N 3.49Å; D22-L26 PolarHBondContact O-N 3Å |
| 23 | R | 95.3 | Very high | 90.7 | Very high | 155 Ų | 155 | 120.5 Ų | 120.5 | 59% | 0.585 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -65.7 | -44.7 | 175.2 | -177.2 | 176.8 | 179 | 163.5 | 4.8 | 112.4 | M18 R19 A20 S21 Q25 L26 D27 | M18-R23 HydrophobicContact CE-CB 4.46Å; R19-R23 PolarHBondContact O-N 3.07Å; R19-R23 VanDerWaalsContact O-N 3.09Å; A20-R23 PolarHBondContact O-N 3.02Å; S21-R23 VanDerWaalsContact C-N 3.28Å; S21-R23 PolarHBondContact O-N 2.94Å; R23-Q25 VanDerWaalsContact C-N 3.27Å; R23-Q25 PolarHBondContact O-N 2.91Å; R23-L26 WeakPolarHBondContact O-CB 3.48Å; R23-L26 PolarHBondContact O-N 3.05Å; R23-L26 VanDerWaalsContact O-N 3.15Å; R23-D27 IonicContact NE-OD2 3.87Å; R23-D27 VanDerWaalsContact O-CG 3.3Å; R23-D27 PolarHBondContact O-N 3Å |
| 24 | Q | 95.6 | Very high | 91.4 | Very high | 132 Ų | 132 | 112.9 Ų | 112.9 | 62% | 0.617 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61.5 | -35.3 | 176.4 | -76.1 | 171.4 | -23.6 | 0 | 0 | 112.4 | A20 S21 A28 | A20-Q24 WeakPolarHBondContact O-CG 3.02Å; A20-Q24 PolarHBondContact O-N 3.33Å; S21-Q24 PolarHBondContact O-N 2.91Å; Q24-A28 WeakPolarHBondContact O-CB 3.46Å; Q24-A28 PolarHBondContact O-N 3.26Å |
| 25 | Q | 95.7 | Very high | 92.1 | Very high | 122 Ų | 122 | 113.8 Ų | 113.8 | 57% | 0.57 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -66.3 | -43.4 | 172.9 | -72.5 | 175.2 | -20.7 | 0 | 0 | 111.5 | S21 D22 R23 A28 V29 | S21-Q25 WeakPolarHBondContact O-CG 3.49Å; S21-Q25 PolarHBondContact O-N 2.88Å; D22-Q25 PolarHBondContact O-N 3.49Å; R23-Q25 VanDerWaalsContact C-N 3.27Å; R23-Q25 PolarHBondContact O-N 2.91Å; Q25-A28 PolarHBondContact O-N 3.11Å; Q25-V29 WeakPolarHBondContact O-CG2 3.4Å; Q25-V29 PolarHBondContact O-N 3.39Å |
| 26 | L | 95.8 | Very high | 92.4 | Very high | 77 Ų | 77 | 107.5 Ų | 107.5 | 40% | 0.403 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.4 | -48.6 | 174.2 | -165.7 | 84.6 | 0 | 0 | 0 | 111.8 | M18 D22 R23 A28 V29 H30 | M18-L26 HydrophobicContact CE-CD2 4.28Å; D22-L26 PolarHBondContact O-N 3Å; R23-L26 WeakPolarHBondContact O-CB 3.48Å; R23-L26 PolarHBondContact O-N 3.05Å; R23-L26 VanDerWaalsContact O-N 3.15Å; L26-A28 VanDerWaalsContact C-N 3.27Å; L26-A28 PolarHBondContact O-N 3.08Å; L26-V29 PolarHBondContact O-N 3.31Å; L26-H30 WeakPolarHBondContact O-CB 3.35Å; L26-H30 PolarHBondContact O-CD2 3.09Å; L26-H30 VanDerWaalsContact O-CD2 3.28Å; L26-H30 PolarHBondContact O-N 3.21Å |
| 27 | D | 95.2 | Very high | 92.3 | Very high | 80 Ų | 80 | 103 Ų | 103 | 43% | 0.428 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.1 | -34.4 | 179.6 | -67.4 | -26.7 | 0 | 0 | 0 | 111.6 | R23 R31 | R23-D27 IonicContact NE-OD2 3.87Å; R23-D27 VanDerWaalsContact O-CG 3.3Å; R23-D27 PolarHBondContact O-N 3Å; D27-R31 WeakPolarHBondContact O-CB 3.32Å; D27-R31 PolarHBondContact O-N 3.06Å |
| 28 | A | 95.4 | Very high | 92 | Very high | 52 Ų | 52 | 106.3 Ų | 106.3 | 43% | 0.43 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -69.3 | -44.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q24 Q25 L26 H30 R31 V32 | Q24-A28 WeakPolarHBondContact O-CB 3.46Å; Q24-A28 PolarHBondContact O-N 3.26Å; Q25-A28 PolarHBondContact O-N 3.11Å; L26-A28 VanDerWaalsContact C-N 3.27Å; L26-A28 PolarHBondContact O-N 3.08Å; A28-H30 VanDerWaalsContact C-N 3.33Å; A28-H30 PolarHBondContact O-N 2.91Å; A28-R31 PolarHBondContact O-N 3.45Å; A28-V32 WeakPolarHBondContact O-CG2 3.48Å; A28-V32 PolarHBondContact O-N 3.34Å |
| 29 | V | 96.3 | Very high | 91.2 | Very high | 93 Ų | 93 | 103 Ų | 103 | 56% | 0.564 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.9 | -41.4 | 174.4 | 169.9 | 0 | 0 | 0 | 0 | 110.9 | Q25 L26 R31 V32 K33 | Q25-V29 WeakPolarHBondContact O-CG2 3.4Å; Q25-V29 PolarHBondContact O-N 3.39Å; L26-V29 PolarHBondContact O-N 3.31Å; V29-R31 PolarHBondContact O-N 3.15Å; V29-V32 PolarHBondContact O-N 3.33Å; V29-K33 VanDerWaalsContact O-CB 3.31Å; V29-K33 WeakPolarHBondContact O-CB 3.24Å; V29-K33 PolarHBondContact O-N 3Å |
| 30 | H | 95.4 | Very high | 89.9 | Confident | 108 Ų | 108 | 98.1 Ų | 98.1 | 50% | 0.5 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.1 | -39 | 177 | -78.9 | -148.9 | 0 | 0 | 0 | 112 | L26 A28 G34 | L26-H30 WeakPolarHBondContact O-CB 3.35Å; L26-H30 PolarHBondContact O-CD2 3.09Å; L26-H30 VanDerWaalsContact O-CD2 3.28Å; L26-H30 PolarHBondContact O-N 3.21Å; A28-H30 VanDerWaalsContact C-N 3.33Å; A28-H30 PolarHBondContact O-N 2.91Å; H30-G34 PolarHBondContact O-N 2.87Å |
| 31 | R | 94.7 | Very high | 88.4 | Confident | 175 Ų | 175 | 96.4 Ų | 96.4 | 66% | 0.66 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.3 | -52.2 | 172.8 | -176.7 | -176 | -57.9 | -129.5 | -1.7 | 111.8 | D27 A28 V29 K33 G34 E35 | D27-R31 WeakPolarHBondContact O-CB 3.32Å; D27-R31 PolarHBondContact O-N 3.06Å; A28-R31 PolarHBondContact O-N 3.45Å; V29-R31 PolarHBondContact O-N 3.15Å; R31-K33 VanDerWaalsContact C-N 3.32Å; R31-K33 PolarHBondContact O-N 3.22Å; R31-G34 PolarHBondContact O-N 3.15Å; R31-G34 VanDerWaalsContact O-N 3.11Å; R31-E35 VanDerWaalsContact CG-OE1 3.25Å; R31-E35 WeakPolarHBondContact CG-OE1 2.95Å; R31-E35 WeakPolarHBondContact O-CG 3.34Å; R31-E35 PolarHBondContact O-N 3.33Å |
| 32 | V | 94.6 | Very high | 86.7 | Confident | 94 Ų | 94 | 99.4 Ų | 99.4 | 57% | 0.57 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.4 | -40.8 | 180 | 173.7 | 0 | 0 | 0 | 0 | 111.2 | A28 V29 E35 L36 | A28-V32 WeakPolarHBondContact O-CG2 3.48Å; A28-V32 PolarHBondContact O-N 3.34Å; V29-V32 PolarHBondContact O-N 3.33Å; V32-E35 PolarHBondContact O-N 3.02Å; V32-L36 WeakPolarHBondContact O-CB 3.41Å; V32-L36 PolarHBondContact O-N 2.92Å |
| 33 | K | 92.9 | Very high | 84.9 | Confident | 134 Ų | 134 | 104.6 Ų | 104.6 | 58% | 0.583 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.6 | -43.4 | 173.2 | 179.7 | 179.3 | 175.2 | -178.9 | 0 | 112 | V29 R31 L36 L37 | V29-K33 VanDerWaalsContact O-CB 3.31Å; V29-K33 WeakPolarHBondContact O-CB 3.24Å; V29-K33 PolarHBondContact O-N 3Å; R31-K33 VanDerWaalsContact C-N 3.32Å; R31-K33 PolarHBondContact O-N 3.22Å; K33-L36 PolarHBondContact O-N 3.32Å; K33-L37 HydrophobicContact CG-CD1 4.01Å; K33-L37 WeakPolarHBondContact O-CB 3.49Å; K33-L37 VanDerWaalsContact O-CG 3.3Å; K33-L37 WeakPolarHBondContact O-CG 3.24Å; K33-L37 PolarHBondContact O-N 3.29Å |
| 34 | G | 91.4 | Very high | 82.9 | Confident | 38 Ų | 38 | 104.6 Ų | 104.6 | 39% | 0.392 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.8 | -38.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | H30 R31 R38 | H30-G34 PolarHBondContact O-N 2.87Å; R31-G34 PolarHBondContact O-N 3.15Å; R31-G34 VanDerWaalsContact O-N 3.11Å; G34-R38 WeakPolarHBondContact O-CB 3.42Å; G34-R38 PolarHBondContact O-N 3.13Å |
| 35 | E | 87.3 | Confident | 80.8 | Confident | 117 Ų | 117 | 104.1 Ų | 104.1 | 55% | 0.547 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.9 | -39.7 | 175.4 | -73.4 | 173.5 | -160.4 | 0 | 0 | 112.1 | R31 V32 R38 A39 | R31-E35 VanDerWaalsContact CG-OE1 3.25Å; R31-E35 WeakPolarHBondContact CG-OE1 2.95Å; R31-E35 WeakPolarHBondContact O-CG 3.34Å; R31-E35 PolarHBondContact O-N 3.33Å; V32-E35 PolarHBondContact O-N 3.02Å; E35-R38 CarbonylContact O-C 3.53Å; E35-R38 PolarHBondContact O-N 3.14Å; E35-A39 PolarHBondContact O-N 3.38Å |
| 36 | L | 85.4 | Confident | 78.8 | Confident | 98 Ų | 98 | 102 Ų | 102 | 51% | 0.513 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.5 | -51.6 | 174.2 | 179 | 60.7 | 0 | 0 | 0 | 111.9 | V32 K33 R38 A39 D40 | V32-L36 WeakPolarHBondContact O-CB 3.41Å; V32-L36 PolarHBondContact O-N 2.92Å; K33-L36 PolarHBondContact O-N 3.32Å; L36-R38 PolarHBondContact O-N 2.95Å; L36-A39 CarbonylContact O-C 3.59Å; L36-A39 WeakPolarHBondContact O-CA 2.78Å; L36-A39 VanDerWaalsContact O-CB 3.32Å; L36-A39 WeakPolarHBondContact O-CB 3.39Å; L36-A39 PolarHBondContact O-N 2.96Å; L36-D40 WeakPolarHBondContact CD1-OD2 3.32Å; L36-D40 PolarHBondContact O-N 3.02Å |
| 37 | L | 81.1 | Confident | 76.6 | Confident | 108 Ų | 108 | 103 Ų | 103 | 57% | 0.565 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -59.2 | -34.7 | 175.7 | -70.6 | 169 | 0 | 0 | 0 | 112 | K33 A39 G41 | K33-L37 HydrophobicContact CG-CD1 4.01Å; K33-L37 WeakPolarHBondContact O-CB 3.49Å; K33-L37 VanDerWaalsContact O-CG 3.3Å; K33-L37 WeakPolarHBondContact O-CG 3.24Å; K33-L37 PolarHBondContact O-N 3.29Å; L37-A39 VanDerWaalsContact C-N 3.3Å; L37-G41 PolarHBondContact O-N 3.48Å |
| 38 | R | 76.1 | Confident | 74.3 | Confident | 185 Ų | 185 | 106.8 Ų | 106.8 | 70% | 0.698 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -74.6 | -14.6 | 172.7 | -176.1 | 171.2 | 174.9 | -93.3 | -1.8 | 113.1 | G34 E35 L36 K42 | G34-R38 WeakPolarHBondContact O-CB 3.42Å; G34-R38 PolarHBondContact O-N 3.13Å; E35-R38 CarbonylContact O-C 3.53Å; E35-R38 PolarHBondContact O-N 3.14Å; L36-R38 PolarHBondContact O-N 2.95Å; R38-K42 WeakPolarHBondContact O-CE 3.19Å; R38-K42 WeakPolarHBondContact O-CG 3.47Å; R38-K42 PolarHBondContact O-NZ 3.33Å |
| 39 | A | 73.1 | Confident | 73 | Confident | 41 Ų | 41 | 113.1 Ų | 113.1 | 34% | 0.339 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -84.6 | -52.8 | 169 | 0 | 0 | 0 | 0 | 0 | 110.5 | E35 L36 L37 G41 K42 | E35-A39 PolarHBondContact O-N 3.38Å; L36-A39 CarbonylContact O-C 3.59Å; L36-A39 WeakPolarHBondContact O-CA 2.78Å; L36-A39 VanDerWaalsContact O-CB 3.32Å; L36-A39 WeakPolarHBondContact O-CB 3.39Å; L36-A39 PolarHBondContact O-N 2.96Å; L37-A39 VanDerWaalsContact C-N 3.3Å; A39-G41 VanDerWaalsContact C-N 3.31Å; A39-G41 PolarHBondContact O-N 3.14Å; A39-K42 WeakPolarHBondContact O-CB 3.49Å; A39-K42 PolarHBondContact O-N 3.14Å |
| 40 | D | 64.2 | Low | 70.8 | Confident | 75 Ų | 75 | 115.6 Ų | 115.6 | 40% | 0.401 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -63.5 | -36.9 | -177.1 | -59.6 | -26.4 | 0 | 0 | 0 | 111.9 | L36 K42 L43 L44 | L36-D40 WeakPolarHBondContact CD1-OD2 3.32Å; L36-D40 PolarHBondContact O-N 3.02Å; D40-K42 PolarHBondContact O-N 3.08Å; D40-K42 VanDerWaalsContact O-N 3.1Å; D40-L43 PolarHBondContact O-N 3.31Å; D40-L44 PolarHBondContact O-N 3.34Å |
| 41 | G | 59.8 | Low | 68.8 | Low | 40 Ų | 40 | 113.7 Ų | 113.7 | 41% | 0.412 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -60 | -17.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L37 A39 N45 | L37-G41 PolarHBondContact O-N 3.48Å; A39-G41 VanDerWaalsContact C-N 3.31Å; A39-G41 PolarHBondContact O-N 3.14Å; G41-N45 WeakPolarHBondContact O-CB 3.48Å |
| 42 | K | 59.8 | Low | 67.1 | Low | 127 Ų | 127 | 113 Ų | 113 | 55% | 0.552 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -87.2 | -22.4 | 171.6 | -53.7 | -175.8 | -168.8 | 90.8 | 0 | 113 | R38 A39 D40 | R38-K42 WeakPolarHBondContact O-CE 3.19Å; R38-K42 WeakPolarHBondContact O-CG 3.47Å; R38-K42 PolarHBondContact O-NZ 3.33Å; A39-K42 WeakPolarHBondContact O-CB 3.49Å; A39-K42 PolarHBondContact O-N 3.14Å; D40-K42 PolarHBondContact O-N 3.08Å; D40-K42 VanDerWaalsContact O-N 3.1Å |
| 43 | L | 58.4 | Low | 64.9 | Low | 146 Ų | 146 | 116.4 Ų | 116.4 | 76% | 0.764 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -86.4 | -29.4 | 177.1 | -59.3 | 178.9 | 0 | 0 | 0 | 111.3 | D40 | D40-L43 PolarHBondContact O-N 3.31Å |
| 44 | L | 53.7 | Low | 62.9 | Low | 154 Ų | 154 | 115.9 Ų | 115.9 | 81% | 0.806 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -76.6 | -26.9 | 173.6 | -170.3 | 59.6 | 0 | 0 | 0 | 112.8 | D40 G46 | D40-L44 PolarHBondContact O-N 3.34Å; L44-G46 PolarHBondContact O-N 3.35Å |
| 45 | N | 51.6 | Low | 60.9 | Low | 122 Ų | 122 | 120 Ų | 120 | 65% | 0.652 | 67% | 0.667 | S | S | * | * | | | trans | -81.5 | 67.9 | 177.8 | -128.2 | 73.6 | 0 | 0 | 0 | 111.5 | G41 S47 | G41-N45 WeakPolarHBondContact O-CB 3.48Å; N45-S47 PolarHBondContact O-N 3.32Å |
| 46 | G | 53.2 | Low | 59 | Low | 78 Ų | 78 | 119.4 Ų | 119.4 | 80% | 0.804 | 67% | 0.671 | S | S | * | * | | | trans | -69.5 | 55.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115 | L44 | L44-G46 PolarHBondContact O-N 3.35Š|
| 47 | S | 48.8 | Very low | 56.9 | Low | 97 Ų | 97 | 120.1 Ų | 120.1 | 68% | 0.678 | 69% | 0.685 | S | S | * | * | | | trans | -78.3 | 116.7 | 170.3 | 55.1 | 0 | 0 | 0 | 0 | 110.3 | N45 E49 | N45-S47 PolarHBondContact O-N 3.32Å; S47-E49 PolarHBondContact O-N 3.21Å |
| 48 | H | 46.8 | Very low | 55.3 | Low | 160 Ų | 160 | 121.2 Ų | 121.2 | 74% | 0.741 | 70% | 0.698 | S | S | * | * | | | trans | -47.1 | 121 | -176.6 | -167.8 | -38.5 | 0 | 0 | 0 | 113.4 | N50 | H48-N50 PolarHBondContact CE1-ND2 3.48Å; H48-N50 PolarHBondContact O-N 2.94Å |
| 49 | E | 68.3 | Low | 54 | Low | 185 Ų | 185 | 120.4 Ų | 120.4 | 86% | 0.864 | 71% | 0.707 | S | S | * | * | | | trans | -64.9 | 113.4 | 168.7 | 179.4 | -177.6 | 113.8 | 0 | 0 | 109.4 | S47 | S47-E49 PolarHBondContact O-N 3.21Š|
| 50 | N | 50.5 | Low | 52.8 | Low | 145 Ų | 145 | 126.8 Ų | 126.8 | 78% | 0.775 | 73% | 0.73 | S | S | * | * | | | trans | -171.9 | 116.2 | 163.6 | -106.9 | -27 | 0 | 0 | 0 | 110.8 | H48 | H48-N50 PolarHBondContact CE1-ND2 3.48Å; H48-N50 PolarHBondContact O-N 2.94Å |
| 51 | G | 53.3 | Low | 51.3 | Low | 68 Ų | 68 | 130.9 Ų | 130.9 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | S | Bend | trans | 100.3 | 94.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 52 | D | 58.3 | Low | 51 | Low | 160 Ų | 160 | 135.6 Ų | 135.6 | 86% | 0.856 | 77% | 0.772 | S | S | * | * | | | trans | 40.9 | 93.4 | 140.9 | -153.7 | 20.4 | 0 | 0 | 0 | 118.4 | | |
| 53 | L | 48.8 | Very low | 50.1 | Low | 167 Ų | 167 | 136.2 Ų | 136.2 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | | | trans | -108.5 | 90 | 168.1 | -67.6 | -179.8 | 0 | 0 | 0 | 110.8 | | |
| 54 | D | 51.2 | Low | 48.9 | Very low | 122 Ų | 122 | 135.3 Ų | 135.3 | 65% | 0.652 | 79% | 0.786 | S | S | * | * | | | trans | -62.5 | 121.9 | 165 | -170.2 | 13.5 | 0 | 0 | 0 | 109.1 | T56 | D54-T56 PolarHBondContact O-N 3.27Š|
| 55 | P | 50.1 | Low | 48.2 | Very low | 124 Ų | 124 | 134.1 Ų | 134.1 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -76.4 | 41.5 | -167.9 | 31.6 | -38.6 | 0 | 0 | 0 | 114.6 | | |
| 56 | T | 46.9 | Very low | 48 | Very low | 105 Ų | 105 | 136.6 Ų | 136.6 | 64% | 0.644 | 79% | 0.787 | S | S | * | * | | | trans | -137.2 | 64.9 | 179.1 | 60.2 | 0 | 0 | 0 | 0 | 114 | D54 | D54-T56 PolarHBondContact O-N 3.27Š|
| 57 | S | 41.7 | Very low | 47.1 | Very low | 114 Ų | 114 | 139.8 Ų | 139.8 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | | | trans | -156.8 | 146.3 | 147.8 | -81.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 58 | P | 45.9 | Very low | 47.1 | Very low | 130 Ų | 130 | 143.9 Ų | 143.9 | 84% | 0.844 | 79% | 0.786 | S | S | * | * | | | trans | -69.1 | 165.2 | 172.8 | -18.8 | 33.4 | 0 | 0 | 0 | 113.7 | | |
| 59 | L | 49.5 | Very low | 46.7 | Very low | 168 Ų | 168 | 144.5 Ų | 144.5 | 88% | 0.88 | 79% | 0.789 | S | S | * | * | | | trans | -79.5 | 178.7 | 174.4 | -68.8 | 166.9 | 0 | 0 | 0 | 112.4 | | |
| 60 | E | 48.1 | Very low | 45.9 | Very low | 176 Ų | 176 | 142.4 Ų | 142.4 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | | | trans | 87 | 69.4 | 154 | -148.4 | 168.2 | 144 | 0 | 0 | 117.9 | | |
| 61 | N | 33.4 | Very low | 45.6 | Very low | 161 Ų | 161 | 140.9 Ų | 140.9 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | | | trans | -118.8 | 92.6 | 161.6 | -65.8 | -19 | 0 | 0 | 0 | 110 | | |
| 62 | T | 52.2 | Low | 45.2 | Very low | 138 Ų | 138 | 145.1 Ų | 145.1 | 85% | 0.847 | 78% | 0.782 | S | S | * | * | | | trans | -103.4 | 47.1 | 169.3 | 53.4 | 0 | 0 | 0 | 0 | 112.1 | C64 | T62-C64 PolarHBondContact O-N 2.82Š|
| 63 | D | 40.8 | Very low | 44.4 | Very low | 141 Ų | 141 | 141 Ų | 141 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | | | trans | -100.3 | 72.4 | 179 | -133.7 | -26.9 | 0 | 0 | 0 | 110.4 | I65 | D63-I65 VanDerWaalsContact C-N 3.34Å; D63-I65 PolarHBondContact O-N 3.26Å; D63-I65 VanDerWaalsContact O-N 3.12Å |
| 64 | C | 33.8 | Very low | 44.1 | Very low | 126 Ų | 126 | 141.4 Ų | 141.4 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | | | trans | -81.2 | 81.2 | 173 | -74.5 | 0 | 0 | 0 | 0 | 109.8 | T62 Q66 | T62-C64 PolarHBondContact O-N 2.82Å; C64-Q66 PolarHBondContact O-N 3.35Å |
| 65 | I | 40.1 | Very low | 43.8 | Very low | 129 Ų | 129 | 143.8 Ų | 143.8 | 66% | 0.662 | 79% | 0.791 | S | S | * | * | | | trans | -55 | 113.2 | 175.4 | -62.8 | 178 | 0 | 0 | 0 | 109.3 | D63 D67 | D63-I65 VanDerWaalsContact C-N 3.34Å; D63-I65 PolarHBondContact O-N 3.26Å; D63-I65 VanDerWaalsContact O-N 3.12Å; I65-D67 HydrophobicContact CG2-CB 4.38Å; I65-D67 PolarHBondContact O-N 2.86Å |
| 66 | Q | 45.9 | Very low | 43.1 | Very low | 175 Ų | 175 | 140.4 Ų | 140.4 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | trans | -78.4 | 71.9 | 176.1 | -168.7 | -175 | 16.5 | 0 | 0 | 110 | C64 R68 | C64-Q66 PolarHBondContact O-N 3.35Å; Q66-R68 PolarHBondContact O-N 3.35Å |
| 67 | D | 34.7 | Very low | 42.6 | Very low | 145 Ų | 145 | 142.4 Ų | 142.4 | 78% | 0.775 | 78% | 0.784 | S | S | * | * | | | trans | -71.7 | 79 | 175.5 | -115.1 | -21.9 | 0 | 0 | 0 | 110.5 | I65 E69 | I65-D67 HydrophobicContact CG2-CB 4.38Å; I65-D67 PolarHBondContact O-N 2.86Å; D67-E69 PolarHBondContact O-N 3.19Å |
| 68 | R | 48.4 | Very low | 42.5 | Very low | 182 Ų | 182 | 142.3 Ų | 142.3 | 69% | 0.687 | 78% | 0.783 | S | S | * | * | | | trans | -74.6 | 71.1 | 173.8 | -176.8 | -166 | 169.3 | 153.4 | -4.8 | 109.3 | Q66 E70 | Q66-R68 PolarHBondContact O-N 3.35Å; R68-E70 HydrophobicContact CG-CG 4.01Å; R68-E70 IonicContact CZ-OE1 2.91Å; R68-E70 IonicContact NE-OE1 3Å; R68-E70 PolarHBondContact NE-OE1 3.17Å; R68-E70 IonicContact NH2-OE1 2.69Å; R68-E70 PolarHBondContact NH2-OE1 3.08Å; R68-E70 PolarHBondContact O-N 3.32Å; R68-E70 VanDerWaalsContact O-N 3.08Å |
| 69 | E | 39.9 | Very low | 42 | Very low | 173 Ų | 173 | 144.1 Ų | 144.1 | 81% | 0.808 | 78% | 0.778 | S | S | * | * | | | trans | -76 | 96.7 | 173.5 | -158.9 | 172.9 | -148.5 | 0 | 0 | 110.2 | D67 V71 | D67-E69 PolarHBondContact O-N 3.19Å; E69-V71 HydrophobicContact CG-CG2 4.22Å; E69-V71 PolarHBondContact O-N 3.11Å |
| 70 | E | 51.2 | Low | 41.2 | Very low | 142 Ų | 142 | 144 Ų | 144 | 66% | 0.664 | 77% | 0.773 | S | S | * | * | | | trans | -72.5 | 87 | -174 | -61.4 | -163.3 | 122.3 | 0 | 0 | 113.1 | R68 | R68-E70 HydrophobicContact CG-CG 4.01Å; R68-E70 IonicContact CZ-OE1 2.91Å; R68-E70 IonicContact NE-OE1 3Å; R68-E70 PolarHBondContact NE-OE1 3.17Å; R68-E70 IonicContact NH2-OE1 2.69Å; R68-E70 PolarHBondContact NH2-OE1 3.08Å; R68-E70 PolarHBondContact O-N 3.32Å; R68-E70 VanDerWaalsContact O-N 3.08Å |
| 71 | V | 43.9 | Very low | 40.7 | Very low | 113 Ų | 113 | 141.8 Ų | 141.8 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | | | trans | -122.7 | 91.8 | 177 | -171 | 0 | 0 | 0 | 0 | 113 | E69 | E69-V71 HydrophobicContact CG-CG2 4.22Å; E69-V71 PolarHBondContact O-N 3.11Å |
| 72 | N | 44.3 | Very low | 40.8 | Very low | 157 Ų | 157 | 141.7 Ų | 141.7 | 84% | 0.84 | 77% | 0.771 | S | S | * | * | | | trans | 48.4 | 69.7 | 150.4 | -66.6 | -8.6 | 0 | 0 | 0 | 119.3 | | |
| 73 | G | 42.5 | Very low | 40 | Very low | 73 Ų | 73 | 143.7 Ų | 143.7 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | | | | 73.4 | 113.7 | 118.7 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 74 | I | 42.1 | Very low | 39.8 | Very low | 175 Ų | 175 | 141.6 Ų | 141.6 | 90% | 0.897 | 77% | 0.767 | S | S | * | * | | | trans | -123.7 | 162.2 | 130.1 | 53.1 | 170.8 | 0 | 0 | 0 | 108.9 | | |
| 75 | D | 44 | Very low | 39.7 | Very low | 172 Ų | 172 | 141.4 Ų | 141.4 | 92% | 0.92 | 76% | 0.762 | S | S | * | * | | | trans | -113.9 | 149.9 | -173.6 | -168.5 | 10.1 | 0 | 0 | 0 | 110.9 | | |
| 76 | G | 35.2 | Very low | 39.6 | Very low | 54 Ų | 54 | 140.6 Ų | 140.6 | 56% | 0.557 | 76% | 0.763 | S | S | * | * | | | trans | 80.3 | 151.6 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 77 | I | 36.7 | Very low | 38.9 | Very low | 146 Ų | 146 | 139.3 Ų | 139.3 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | | | cis | -141.4 | 143.9 | 12.5 | 35.3 | 179.1 | 0 | 0 | 0 | 111.3 | F79 | I77-F79 HydrophobicContact CD1-CD2 4.35Å; I77-F79 HydrophobicContact CD1-CE2 3.93Å; I77-F79 PolarHBondContact O-N 3.43Å |
| 78 | C | 39.7 | Very low | 39 | Very low | 113 Ų | 113 | 144 Ų | 144 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | | | trans | -72.8 | 120.8 | 169.4 | 176.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 79 | F | 36.3 | Very low | 38.4 | Very low | 168 Ų | 168 | 143.1 Ų | 143.1 | 74% | 0.737 | 77% | 0.765 | S | S | * | * | | | trans | -111.3 | 130.8 | 154 | -92.8 | -87.3 | 0 | 0 | 0 | 108.2 | I77 | I77-F79 HydrophobicContact CD1-CD2 4.35Å; I77-F79 HydrophobicContact CD1-CE2 3.93Å; I77-F79 PolarHBondContact O-N 3.43Å |
| 80 | Q | 31.1 | Very low | 38.3 | Very low | 166 Ų | 166 | 143.9 Ų | 143.9 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | | | trans | -80.5 | 134 | 165.9 | -63.8 | -179 | -5 | 0 | 0 | 106.8 | E82 | Q80-E82 PolarHBondContact O-N 3.08Å; Q80-E82 VanDerWaalsContact O-N 3.08Å |
| 81 | S | 38.8 | Very low | 37.8 | Very low | 129 Ų | 129 | 142.9 Ų | 142.9 | 90% | 0.902 | 77% | 0.773 | S | S | * | * | | | trans | -75.1 | 100 | 171.7 | -167 | 0 | 0 | 0 | 0 | 108 | | |
| 82 | E | 34.3 | Very low | 37.4 | Very low | 159 Ų | 159 | 142.5 Ų | 142.5 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | | | trans | -66.7 | 139.6 | 173.4 | 56.7 | -157.7 | 95 | 0 | 0 | 111.3 | Q80 S84 | Q80-E82 PolarHBondContact O-N 3.08Å; Q80-E82 VanDerWaalsContact O-N 3.08Å; E82-S84 PolarHBondContact O-N 2.76Å; E82-S84 VanDerWaalsContact O-N 3.11Å |
| 83 | E | 35.7 | Very low | 36.9 | Very low | 180 Ų | 180 | 140.9 Ų | 140.9 | 84% | 0.841 | 77% | 0.772 | S | S | * | * | | | trans | -76.2 | 94.9 | 178.9 | -175.9 | -174.8 | 114.7 | 0 | 0 | 109.4 | T85 | E83-T85 PolarHBondContact O-N 2.77Š|
| 84 | S | 36.3 | Very low | 36.8 | Very low | 96 Ų | 96 | 144.1 Ų | 144.1 | 67% | 0.671 | 77% | 0.769 | S | S | * | * | | | trans | -87.3 | 93.5 | 177.2 | 61.1 | 0 | 0 | 0 | 0 | 111.1 | E82 T86 | E82-S84 PolarHBondContact O-N 2.76Å; E82-S84 VanDerWaalsContact O-N 3.11Å; S84-T86 PolarHBondContact O-N 2.96Å |
| 85 | T | 32.5 | Very low | 36.6 | Very low | 122 Ų | 122 | 141.2 Ų | 141.2 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | | | trans | -65.6 | 106.5 | 169.6 | 37.8 | 0 | 0 | 0 | 0 | 110.7 | E83 E87 | E83-T85 PolarHBondContact O-N 2.77Å; T85-E87 PolarHBondContact O-N 2.95Å |
| 86 | T | 37.3 | Very low | 36.1 | Very low | 112 Ų | 112 | 140.6 Ų | 140.6 | 69% | 0.687 | 76% | 0.758 | S | S | * | * | | | trans | -84.6 | 93.4 | -177.1 | 37.4 | 0 | 0 | 0 | 0 | 112.5 | S84 W88 | S84-T86 PolarHBondContact O-N 2.96Å; T86-W88 PolarHBondContact O-N 3.16Å |
| 87 | E | 32.7 | Very low | 36.1 | Very low | 149 Ų | 149 | 144.1 Ų | 144.1 | 70% | 0.696 | 77% | 0.769 | S | S | * | * | | | trans | -44.9 | 118.3 | 165.8 | -177.5 | -168.2 | 150 | 0 | 0 | 112.3 | T85 K89 | T85-E87 PolarHBondContact O-N 2.95Å; E87-K89 HydrophobicContact CG-CG 4.41Å; E87-K89 PolarHBondContact O-N 3.3Å; E87-K89 WeakPolarHBondContact OE1-CE 3.45Å; E87-K89 WeakPolarHBondContact OE1-CG 3.3Å; E87-K89 IonicContact OE1-NZ 3.88Å |
| 88 | W | 37.2 | Very low | 36 | Very low | 242 Ų | 242 | 141.9 Ų | 141.9 | 92% | 0.917 | 77% | 0.772 | S | S | * | * | | | trans | -84.5 | 96.1 | 175.3 | -67.6 | -0.6 | 0 | 0 | 0 | 110.8 | T86 E90 | T86-W88 PolarHBondContact O-N 3.16Å; W88-E90 PolarHBondContact O-N 3.45Å; W88-E90 VanDerWaalsContact O-N 3.08Å |
| 89 | K | 35.1 | Very low | 35.8 | Very low | 164 Ų | 164 | 142 Ų | 142 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | | | trans | -76.8 | 89.2 | 171 | -76.4 | -165.5 | 176.6 | -175.5 | 0 | 112.2 | E87 T91 | E87-K89 HydrophobicContact CG-CG 4.41Å; E87-K89 PolarHBondContact O-N 3.3Å; E87-K89 WeakPolarHBondContact OE1-CE 3.45Å; E87-K89 WeakPolarHBondContact OE1-CG 3.3Å; E87-K89 IonicContact OE1-NZ 3.88Å; K89-T91 PolarHBondContact O-N 3.47Å; K89-T91 PolarHBondContact O-OG1 3.08Å |
| 90 | E | 38.2 | Very low | 35.8 | Very low | 190 Ų | 190 | 143.2 Ų | 143.2 | 89% | 0.888 | 77% | 0.774 | S | S | * | * | | | trans | -63.7 | 130.1 | 165 | -165.9 | 170 | -169.8 | 0 | 0 | 110.1 | W88 | W88-E90 PolarHBondContact O-N 3.45Å; W88-E90 VanDerWaalsContact O-N 3.08Å |
| 91 | T | 39.4 | Very low | 36 | Very low | 121 Ų | 121 | 142.7 Ų | 142.7 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | | | trans | -118.3 | 107.1 | -173.8 | -57.3 | 0 | 0 | 0 | 0 | 110.2 | K89 C93 | K89-T91 PolarHBondContact O-N 3.47Å; K89-T91 PolarHBondContact O-OG1 3.08Å; T91-C93 PolarHBondContact O-N 3.29Å |
| 92 | P | 36.8 | Very low | 35.8 | Very low | 105 Ų | 105 | 145 Ų | 145 | 68% | 0.682 | 77% | 0.77 | S | S | * | * | | | trans | -68.5 | 119.6 | -177 | -21.8 | 33.9 | 0 | 0 | 0 | 112.8 | M94 | P92-M94 PolarHBondContact O-N 3.23Š|
| 93 | C | 32.6 | Very low | 35.6 | Very low | 122 Ų | 122 | 146.7 Ų | 146.7 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | | | trans | -82.7 | 106.6 | 176.9 | -171 | 0 | 0 | 0 | 0 | 111.3 | T91 | T91-C93 PolarHBondContact O-N 3.29Š|
| 94 | M | 40.8 | Very low | 35.5 | Very low | 142 Ų | 142 | 146.4 Ų | 146.4 | 70% | 0.7 | 78% | 0.777 | S | S | * | * | | | trans | -90.4 | 125.1 | 175.7 | -75.6 | -69.1 | 108.2 | 0 | 0 | 112 | P92 N96 | P92-M94 PolarHBondContact O-N 3.23Å; M94-N96 PolarHBondContact O-N 3.3Å |
| 95 | P | 37.4 | Very low | 35.3 | Very low | 113 Ų | 113 | 148.8 Ų | 148.8 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | | | trans | -76.2 | 115.7 | 179.6 | 29.8 | -33.6 | 0 | 0 | 0 | 112 | V97 | P95-V97 PolarHBondContact O-N 3.06Š|
| 96 | N | 33.7 | Very low | 35.4 | Very low | 160 Ų | 160 | 149.5 Ų | 149.5 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | | | trans | -74.6 | 119.1 | 178.2 | -95.4 | -86.6 | 0 | 0 | 0 | 112.5 | M94 | M94-N96 PolarHBondContact O-N 3.3Š|
| 97 | V | 36.6 | Very low | 35.1 | Very low | 128 Ų | 128 | 150.4 Ų | 150.4 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | | | trans | -111.1 | 101 | 170.4 | -178.3 | 0 | 0 | 0 | 0 | 110.2 | P95 V99 | P95-V97 PolarHBondContact O-N 3.06Å; V97-V99 HydrophobicContact CG1-CG2 4.4Å; V97-V99 PolarHBondContact O-N 2.97Å; V97-V99 VanDerWaalsContact O-N 3.11Å |
| 98 | A | 34.6 | Very low | 35 | Very low | 99 Ų | 99 | 148.5 Ų | 148.5 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | -81.7 | 86 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | K100 | A98-K100 PolarHBondContact O-N 2.99Š|
| 99 | V | 34.9 | Very low | 34.6 | Very low | 114 Ų | 114 | 146.2 Ų | 146.2 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | | | trans | -82.5 | 104.8 | 170.8 | -179 | 0 | 0 | 0 | 0 | 110.6 | V97 N101 | V97-V99 HydrophobicContact CG1-CG2 4.4Å; V97-V99 PolarHBondContact O-N 2.97Å; V97-V99 VanDerWaalsContact O-N 3.11Å; V99-N101 PolarHBondContact O-N 3.1Å |
| 100 | K | 36.7 | Very low | 34.3 | Very low | 195 Ų | 195 | 141.9 Ų | 141.9 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | | | trans | -92 | 62.7 | -168 | -162.2 | 171 | -172.7 | 166.9 | 0 | 113.5 | A98 K102 | A98-K100 PolarHBondContact O-N 2.99Å; K100-K102 PolarHBondContact O-N 2.89Å; K100-K102 VanDerWaalsContact O-N 3.16Å |
| 101 | N | 34 | Very low | 33.9 | Very low | 154 Ų | 154 | 141.1 Ų | 141.1 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | | | trans | -72.3 | 105.5 | 175.4 | -88.6 | -6.2 | 0 | 0 | 0 | 111.7 | V99 | V99-N101 PolarHBondContact O-N 3.1Š|
| 102 | K | 34.3 | Very low | 33.6 | Very low | 177 Ų | 177 | 140.6 Ų | 140.6 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | | | trans | -96.9 | 125.6 | 158.4 | -80.6 | -165.7 | 167.4 | -159.8 | 0 | 109.4 | K100 | K100-K102 PolarHBondContact O-N 2.89Å; K100-K102 VanDerWaalsContact O-N 3.16Å |
| 103 | Q | 31.8 | Very low | 34 | Very low | 195 Ų | 195 | 142 Ų | 142 | 91% | 0.911 | 79% | 0.79 | S | S | * | * | | | trans | -98 | 121.3 | 165.7 | -179 | 171.1 | -34.8 | 0 | 0 | 108.8 | | |
| 104 | E | 31.9 | Very low | 33.8 | Very low | 174 Ų | 174 | 141 Ų | 141 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | | | trans | -126.8 | 154.6 | 163.1 | -86.9 | 178.5 | 120.3 | 0 | 0 | 108.7 | | |
| 105 | D | 32.8 | Very low | 33.5 | Very low | 147 Ų | 147 | 141.7 Ų | 141.7 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | | | trans | -91.6 | -170.9 | -155.9 | -154.8 | -18.8 | 0 | 0 | 0 | 113.2 | | |
| 106 | L | 35.3 | Very low | 33.1 | Very low | 136 Ų | 136 | 142.2 Ų | 142.2 | 71% | 0.712 | 79% | 0.791 | S | S | * | * | | | trans | 120.4 | 94.5 | 153.8 | -57.6 | -169 | 0 | 0 | 0 | 117.3 | | |
| 107 | N | 30.5 | Very low | 32.9 | Very low | 131 Ų | 131 | 141.3 Ų | 141.3 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | | | trans | 73.7 | 107 | 130.6 | -57.6 | -41.4 | 0 | 0 | 0 | 121 | | |
| 108 | S | 31.6 | Very low | 32.4 | Very low | 110 Ų | 110 | 142 Ų | 142 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | | | | 150 | 136.5 | 105.3 | -62.9 | 0 | 0 | 0 | 0 | 114.4 | | |
| 109 | E | 27.5 | Very low | 32.2 | Very low | 194 Ų | 194 | 144.3 Ų | 144.3 | 91% | 0.907 | 79% | 0.792 | S | S | * | * | | | trans | 36.5 | 138.2 | 145.7 | -104.5 | 150.1 | 79 | 0 | 0 | 121.8 | | |
| 110 | A | 29.2 | Very low | 31.8 | Very low | 73 Ų | 73 | 144.3 Ų | 144.3 | 60% | 0.603 | 80% | 0.797 | S | S | * | * | | | cis | -166.2 | 163.9 | 11.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 111 | L | 29.1 | Very low | 31.6 | Very low | 174 Ų | 174 | 138.4 Ų | 138.4 | 91% | 0.911 | 78% | 0.781 | S | S | * | * | | | trans | 66.3 | 122.1 | 150 | -63.8 | 167.7 | 0 | 0 | 0 | 120.9 | | |
| 112 | S | 34.1 | Very low | 31.6 | Very low | 109 Ų | 109 | 141.2 Ų | 141.2 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | | | trans | -76.4 | 174.5 | 164.3 | -38.2 | 0 | 0 | 0 | 0 | 112.7 | | |
| 113 | P | 44.1 | Very low | 31.3 | Very low | 134 Ų | 134 | 138.5 Ų | 138.5 | 87% | 0.87 | 78% | 0.778 | S | S | * | * | | | | -131.7 | 158.8 | 111.4 | 37.7 | -31.6 | 0 | 0 | 0 | 114.2 | | |
| 114 | S | 28.7 | Very low | 31.1 | Very low | 101 Ų | 101 | 134.6 Ų | 134.6 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | | | trans | -120.7 | 141.8 | -174.6 | 52.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 115 | I | 34 | Very low | 31 | Very low | 157 Ų | 157 | 132.2 Ų | 132.2 | 81% | 0.805 | 77% | 0.765 | S | S | * | * | | | trans | 178.9 | 111.2 | 148.4 | 38.1 | -168.6 | 0 | 0 | 0 | 107 | | |
| 116 | T | 29.5 | Very low | 30.9 | Very low | 125 Ų | 125 | 133.2 Ų | 133.2 | 77% | 0.767 | 77% | 0.765 | S | S | * | * | | | | 55.6 | 106.3 | 69.9 | 71.5 | 0 | 0 | 0 | 0 | 114.8 | | |
| 117 | C | 29.3 | Very low | 31.6 | Very low | 140 Ų | 140 | 132.3 Ų | 132.3 | 95% | 0.946 | 77% | 0.767 | S | S | * | * | | | trans | -140 | 121.8 | 157.9 | -89 | 0 | 0 | 0 | 0 | 108 | | |
| 118 | D | 25.7 | Very low | 31.5 | Very low | 144 Ų | 144 | 129.4 Ų | 129.4 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | | | trans | -140.9 | 154.2 | -179.2 | -165.6 | 8.5 | 0 | 0 | 0 | 110.3 | | |
| 119 | L | 31.5 | Very low | 31.6 | Very low | 147 Ų | 147 | 130.7 Ų | 130.7 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | | | trans | 46.9 | 99.5 | 172.6 | -53.6 | -174.3 | 0 | 0 | 0 | 119 | | |
| 120 | S | 26.4 | Very low | 31.8 | Very low | 114 Ų | 114 | 125.3 Ų | 125.3 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | | | | -161.1 | 126.3 | 122 | -112.9 | 0 | 0 | 0 | 0 | 118 | | |
| 121 | S | 31.8 | Very low | 32 | Very low | 71 Ų | 71 | 127.3 Ų | 127.3 | 50% | 0.497 | 78% | 0.783 | S | S | . | * | | | | 64 | 81.6 | 127.4 | -59.4 | 0 | 0 | 0 | 0 | 120.3 | | |
| 122 | R | 35.1 | Very low | 32.8 | Very low | 212 Ų | 212 | 124.7 Ų | 124.7 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | | | | 64.1 | 149.2 | 110.2 | 85.8 | -161.6 | 178.2 | -112.1 | -2.6 | 121.5 | | |
| 123 | V | 28.1 | Very low | 32.6 | Very low | 121 Ų | 121 | 124.2 Ų | 124.2 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | | | trans | 79.5 | 97.6 | 150.8 | 170.1 | 0 | 0 | 0 | 0 | 118.3 | | |
| 124 | T | 26.1 | Very low | 32.2 | Very low | 113 Ų | 113 | 123.2 Ų | 123.2 | 69% | 0.693 | 78% | 0.776 | S | S | * | * | | | | 81 | 124.3 | 119.1 | -54.7 | 0 | 0 | 0 | 0 | 121.5 | | |
| 125 | T | 30.5 | Very low | 32.6 | Very low | 123 Ų | 123 | 126.5 Ų | 126.5 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | | | trans | 62.4 | 130 | 159.7 | 49.7 | 0 | 0 | 0 | 0 | 121.4 | | |
| 126 | E | 30.8 | Very low | 33.1 | Very low | 169 Ų | 169 | 125.9 Ų | 125.9 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | | | | 12.4 | 159.8 | 123.8 | -82.1 | -158.2 | 94.5 | 0 | 0 | 121.5 | | |
| 127 | P | 50.6 | Low | 33.8 | Very low | 117 Ų | 117 | 125.5 Ų | 125.5 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | | | cis | -139.8 | -173.6 | -28 | 37.8 | -19.3 | 0 | 0 | 0 | 113.1 | | |
| 128 | G | 26.9 | Very low | 34 | Very low | 69 Ų | 69 | 122.2 Ų | 122.2 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | | | trans | 144.8 | 111.1 | 165.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 129 | S | 35.3 | Very low | 34.5 | Very low | 137 Ų | 137 | 121.5 Ų | 121.5 | 96% | 0.958 | 78% | 0.778 | S | S | * | * | | | | 72.6 | 103.3 | 64.6 | -167.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 130 | G | 30.1 | Very low | 34.9 | Very low | 81 Ų | 81 | 117.8 Ų | 117.8 | 84% | 0.835 | 78% | 0.775 | S | S | * | * | | | trans | 170.4 | 102.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 131 | S | 33.6 | Very low | 35.8 | Very low | 116 Ų | 116 | 118.3 Ų | 118.3 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | | | trans | -160.1 | 159.4 | 177.3 | -173.9 | 0 | 0 | 0 | 0 | 108.2 | | |
| 132 | P | 46.7 | Very low | 36.4 | Very low | 118 Ų | 118 | 120.4 Ų | 120.4 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | | | cis | -125.8 | 173.8 | -8.5 | 22.3 | 0.2 | 0 | 0 | 0 | 114.3 | | |
| 133 | A | 29.1 | Very low | 36.5 | Very low | 99 Ų | 99 | 116.1 Ų | 116.1 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | -153.3 | 121.9 | 139.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 134 | S | 36.1 | Very low | 37.1 | Very low | 114 Ų | 114 | 115.5 Ų | 115.5 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | | | cis | 93.3 | 70.6 | 39.3 | -176.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 135 | D | 37.2 | Very low | 38 | Very low | 169 Ų | 169 | 117.3 Ų | 117.3 | 90% | 0.904 | 79% | 0.789 | S | S | * | * | | | trans | -117.8 | 149.5 | 160 | -92.4 | -56.3 | 0 | 0 | 0 | 110.2 | | |
| 136 | N | 45.1 | Very low | 38.8 | Very low | 144 Ų | 144 | 118.5 Ų | 118.5 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | | | trans | -132.9 | 112.1 | -163.4 | 175.6 | 40 | 0 | 0 | 0 | 112.6 | | |
| 137 | P | 44.2 | Very low | 39.6 | Very low | 117 Ų | 117 | 115.5 Ų | 115.5 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 132.5 | 168.6 | -10 | 27.5 | 0 | 0 | 0 | 111.3 | | |
| 138 | G | 33.2 | Very low | 39.1 | Very low | 71 Ų | 71 | 114.1 Ų | 114.1 | 73% | 0.732 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 152 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | G140 | G138-G140 PolarHBondContact O-N 3.43Š|
| 139 | C | 36.4 | Very low | 39.9 | Very low | 129 Ų | 129 | 116.3 Ų | 116.3 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 121.8 | -178.1 | 48.6 | 0 | 0 | 0 | 0 | 113.3 | | |
| 140 | G | 39.7 | Very low | 40.5 | Very low | 70 Ų | 70 | 117.2 Ų | 117.2 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 123.9 | 151.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | G138 P142 | G138-G140 PolarHBondContact O-N 3.43Å; G140-P142 WeakPolarHBondContact O-CD 3.32Å |
| 141 | T | 44.9 | Very low | 41.4 | Very low | 125 Ų | 125 | 120.6 Ų | 120.6 | 77% | 0.767 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 117.9 | 172.9 | 44.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 142 | P | 43.8 | Very low | 42.2 | Very low | 115 Ų | 115 | 120.2 Ų | 120.2 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 133.2 | 163.8 | 29.9 | -32.4 | 0 | 0 | 0 | 108.7 | G140 | G140-P142 WeakPolarHBondContact O-CD 3.32Š|
| 143 | V | 37.6 | Very low | 41.8 | Very low | 122 Ų | 122 | 118.9 Ų | 118.9 | 74% | 0.739 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 123.5 | 163 | 173.2 | 0 | 0 | 0 | 0 | 106.6 | D145 | V143-D145 PolarHBondContact O-N 3.34Å; V143-D145 VanDerWaalsContact O-N 3.08Å |
| 144 | S | 42.1 | Very low | 42.5 | Very low | 108 Ų | 108 | 119.2 Ų | 119.2 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | | | trans | -77.3 | 90.8 | 174.5 | -57.9 | 0 | 0 | 0 | 0 | 109.7 | N146 | S144-N146 PolarHBondContact O-N 3.16Š|
| 145 | D | 44 | Very low | 43.1 | Very low | 150 Ų | 150 | 121.1 Ų | 121.1 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | | | trans | -61.7 | 117.8 | 163.5 | -77.8 | -52.7 | 0 | 0 | 0 | 108.8 | V143 P147 | V143-D145 PolarHBondContact O-N 3.34Å; V143-D145 VanDerWaalsContact O-N 3.08Å; D145-P147 WeakPolarHBondContact O-CD 3.36Å |
| 146 | N | 46.6 | Very low | 43.4 | Very low | 148 Ų | 148 | 120.3 Ų | 120.3 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | | | trans | -97.3 | 106 | -168.4 | -171.6 | 48.2 | 0 | 0 | 0 | 109 | S144 A148 | S144-N146 PolarHBondContact O-N 3.16Å; N146-A148 PolarHBondContact O-N 3.35Å |
| 147 | P | 49.1 | Very low | 43.6 | Very low | 107 Ų | 107 | 118.6 Ų | 118.6 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | | | trans | -63.6 | 121.7 | 178.5 | 26.8 | -33.2 | 0 | 0 | 0 | 108.9 | D145 S149 | D145-P147 WeakPolarHBondContact O-CD 3.36Å; P147-S149 PolarHBondContact O-N 3.14Å |
| 148 | A | 39.8 | Very low | 43.4 | Very low | 87 Ų | 87 | 117.3 Ų | 117.3 | 72% | 0.719 | 77% | 0.765 | S | S | * | * | | | trans | -67.9 | 117 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109 | N146 D150 | N146-A148 PolarHBondContact O-N 3.35Å; A148-D150 PolarHBondContact O-N 3.3Å |
| 149 | S | 44.3 | Very low | 43.8 | Very low | 115 Ų | 115 | 119 Ų | 119 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | | | trans | -69.5 | 99.2 | 171 | -58.3 | 0 | 0 | 0 | 0 | 109.5 | P147 N151 | P147-S149 PolarHBondContact O-N 3.14Å; S149-N151 PolarHBondContact O-N 2.66Å; S149-N151 VanDerWaalsContact O-N 3.1Å |
| 150 | D | 46.9 | Very low | 44 | Very low | 156 Ų | 156 | 120.3 Ų | 120.3 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | | | trans | -59.8 | 113.3 | 166.3 | -83.5 | -49.9 | 0 | 0 | 0 | 109.1 | A148 P152 | A148-D150 PolarHBondContact O-N 3.3Å; D150-P152 VanDerWaalsContact O-CD 3.26Å; D150-P152 WeakPolarHBondContact O-CD 3.38Å |
| 151 | N | 48 | Very low | 44 | Very low | 153 Ų | 153 | 124.1 Ų | 124.1 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | | | trans | -79.2 | 113.7 | 178.1 | -120.4 | -10.9 | 0 | 0 | 0 | 108.1 | S149 A153 | S149-N151 PolarHBondContact O-N 2.66Å; S149-N151 VanDerWaalsContact O-N 3.1Å; N151-A153 PolarHBondContact O-N 2.91Å |
| 152 | P | 51.4 | Low | 44.1 | Very low | 108 Ų | 108 | 123.6 Ų | 123.6 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | | | trans | -63.6 | 124 | 165.7 | 28 | -32.3 | 0 | 0 | 0 | 107.7 | D150 S154 | D150-P152 VanDerWaalsContact O-CD 3.26Å; D150-P152 WeakPolarHBondContact O-CD 3.38Å; P152-S154 PolarHBondContact O-N 3.24Å |
| 153 | A | 38.8 | Very low | 43.7 | Very low | 90 Ų | 90 | 125.9 Ų | 125.9 | 74% | 0.744 | 77% | 0.772 | S | S | * | * | | | trans | -65.9 | 107.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | N151 D155 | N151-A153 PolarHBondContact O-N 2.91Å; A153-D155 PolarHBondContact O-N 3.29Å; A153-D155 VanDerWaalsContact O-N 3.1Å |
| 154 | S | 43.9 | Very low | 43.8 | Very low | 105 Ų | 105 | 125.3 Ų | 125.3 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | | | trans | -72.6 | 99.4 | 171.8 | -61.8 | 0 | 0 | 0 | 0 | 109.4 | P152 N156 | P152-S154 PolarHBondContact O-N 3.24Å; S154-N156 PolarHBondContact O-N 2.98Å |
| 155 | D | 47.6 | Very low | 43.5 | Very low | 155 Ų | 155 | 123.4 Ų | 123.4 | 83% | 0.829 | 77% | 0.771 | S | S | * | * | | | trans | -60 | 107.6 | 166.4 | -79.9 | -49.5 | 0 | 0 | 0 | 109.3 | A153 P157 | A153-D155 PolarHBondContact O-N 3.29Å; A153-D155 VanDerWaalsContact O-N 3.1Å; D155-P157 WeakPolarHBondContact O-CD 3.31Å |
| 156 | N | 44.4 | Very low | 42.9 | Very low | 151 Ų | 151 | 122.9 Ų | 122.9 | 81% | 0.807 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 119.8 | 171.4 | -84.9 | -46 | 0 | 0 | 0 | 108.9 | S154 A158 | S154-N156 PolarHBondContact O-N 2.98Å; N156-A158 PolarHBondContact O-N 3.46Å |
| 157 | P | 49.8 | Very low | 42.5 | Very low | 108 Ų | 108 | 123.8 Ų | 123.8 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 131.9 | 161.7 | 28.3 | -32.6 | 0 | 0 | 0 | 108.3 | D155 S159 | D155-P157 WeakPolarHBondContact O-CD 3.31Å; P157-S159 PolarHBondContact O-N 3.11Å; P157-S159 VanDerWaalsContact O-N 3.16Å |
| 158 | A | 38.5 | Very low | 41.7 | Very low | 91 Ų | 91 | 122.6 Ų | 122.6 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 116.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | N156 D160 | N156-A158 PolarHBondContact O-N 3.46Å; A158-D160 PolarHBondContact O-N 3.17Å |
| 159 | S | 41.5 | Very low | 41.3 | Very low | 107 Ų | 107 | 123.1 Ų | 123.1 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | | | trans | -85.3 | 96.9 | 172.1 | -62.1 | 0 | 0 | 0 | 0 | 109.5 | P157 N161 | P157-S159 PolarHBondContact O-N 3.11Å; P157-S159 VanDerWaalsContact O-N 3.16Å; S159-N161 PolarHBondContact O-N 3.37Å |
| 160 | D | 40.3 | Very low | 40.8 | Very low | 156 Ų | 156 | 121.7 Ų | 121.7 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | | | trans | -63.8 | 103.1 | 171.1 | -77.8 | -50.3 | 0 | 0 | 0 | 110.4 | A158 | A158-D160 PolarHBondContact O-N 3.17Š|
| 161 | N | 39.7 | Very low | 40.2 | Very low | 150 Ų | 150 | 122.3 Ų | 122.3 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 122.9 | 165.9 | -85.9 | -48.8 | 0 | 0 | 0 | 109 | S159 | S159-N161 PolarHBondContact O-N 3.37Š|
| 162 | P | 48.6 | Very low | 39.5 | Very low | 114 Ų | 114 | 123.3 Ų | 123.3 | 74% | 0.74 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 137.2 | 169.1 | 28.2 | -33.1 | 0 | 0 | 0 | 110.3 | | |
| 163 | D | 35.2 | Very low | 38.5 | Very low | 162 Ų | 162 | 121.4 Ų | 121.4 | 87% | 0.866 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 137 | -175.6 | -168.4 | 15.5 | 0 | 0 | 0 | 112 | G165 | D163-G165 PolarHBondContact O-N 3.11Š|
| 164 | S | 38.5 | Very low | 38.3 | Very low | 110 Ų | 110 | 123.6 Ų | 123.6 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | | | trans | -93.4 | 91.9 | -175.8 | -71.5 | 0 | 0 | 0 | 0 | 110.8 | D166 | S164-D166 PolarHBondContact O-N 3.44Å; S164-D166 VanDerWaalsContact O-N 3.08Å |
| 165 | G | 36.6 | Very low | 37.8 | Very low | 68 Ų | 68 | 125.1 Ų | 125.1 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | | | trans | -60.6 | 106.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | D163 | D163-G165 PolarHBondContact O-N 3.11Š|
| 166 | D | 31.5 | Very low | 37.3 | Very low | 139 Ų | 139 | 123.6 Ų | 123.6 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | | | trans | -61.2 | 128 | 174.2 | 176.7 | 28.8 | 0 | 0 | 0 | 112.1 | S164 | S164-D166 PolarHBondContact O-N 3.44Å; S164-D166 VanDerWaalsContact O-N 3.08Å |
| 167 | L | 38.1 | Very low | 36.7 | Very low | 168 Ų | 168 | 125.3 Ų | 125.3 | 88% | 0.88 | 78% | 0.783 | S | S | * | * | | | trans | -107.8 | 75.6 | 173.7 | -69.1 | -173.6 | 0 | 0 | 0 | 110.8 | A169 | L167-A169 PolarHBondContact O-N 3.35Š|
| 168 | A | 32.7 | Very low | 35.9 | Very low | 81 Ų | 81 | 123.8 Ų | 123.8 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | | | trans | -68.5 | 108.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 169 | A | 32 | Very low | 35.7 | Very low | 98 Ų | 98 | 126.5 Ų | 126.5 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | | | trans | 42.9 | 100 | 146.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | L167 | L167-A169 PolarHBondContact O-N 3.35Š|
| 170 | G | 32.6 | Very low | 35.3 | Very low | 85 Ų | 85 | 124.9 Ų | 124.9 | 88% | 0.876 | 79% | 0.788 | S | S | * | * | | | trans | -102.8 | 82.5 | 154.5 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 171 | E | 33.8 | Very low | 34.9 | Very low | 169 Ų | 169 | 124.9 Ų | 124.9 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | | | trans | -75.8 | 121.8 | 175.6 | -172.6 | -162 | 148.2 | 0 | 0 | 111.4 | | |
| 172 | L | 32.9 | Very low | 34.6 | Very low | 175 Ų | 175 | 122.6 Ų | 122.6 | 92% | 0.916 | 78% | 0.783 | S | S | * | * | | | trans | -140.2 | 107.7 | 157.2 | -74.9 | -179.3 | 0 | 0 | 0 | 110.5 | | |
| 173 | A | 32.4 | Very low | 33.7 | Very low | 68 Ų | 68 | 122 Ų | 122 | 56% | 0.562 | 79% | 0.788 | S | S | * | * | | | trans | -99 | 160.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 174 | T | 32.8 | Very low | 33.9 | Very low | 136 Ų | 136 | 119.6 Ų | 119.6 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | | | trans | 72.1 | 143.6 | -175.5 | 80.3 | 0 | 0 | 0 | 0 | 113.7 | | |
| 175 | T | 34.4 | Very low | 33.7 | Very low | 137 Ų | 137 | 123 Ų | 123 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | | | cis | -125.8 | -155.3 | 22.7 | 53.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 176 | V | 35.9 | Very low | 33.9 | Very low | 122 Ų | 122 | 128.1 Ų | 128.1 | 74% | 0.739 | 79% | 0.792 | S | S | * | * | | | trans | -127 | 151.3 | -156.9 | -159.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 177 | Q | 31.9 | Very low | 34.4 | Very low | 187 Ų | 187 | 126.8 Ų | 126.8 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | | | trans | 78.1 | 159.7 | 172.7 | -52.4 | 170.4 | 96.8 | 0 | 0 | 115.1 | | |
| 178 | A | 33.7 | Very low | 34.4 | Very low | 76 Ų | 76 | 124.3 Ų | 124.3 | 63% | 0.628 | 79% | 0.786 | S | S | * | * | | | cis | -172.6 | 153.3 | -33.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 179 | T | 35.4 | Very low | 34.9 | Very low | 148 Ų | 148 | 125.2 Ų | 125.2 | 91% | 0.908 | 79% | 0.787 | S | S | * | * | | | trans | 41.7 | 106.9 | 156.5 | 54.2 | 0 | 0 | 0 | 0 | 120 | | |
| 180 | G | 32.8 | Very low | 34.9 | Very low | 74 Ų | 74 | 126.2 Ų | 126.2 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | | | trans | 155.8 | 113.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 181 | D | 31.3 | Very low | 35.2 | Very low | 155 Ų | 155 | 129.4 Ų | 129.4 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | | | | 80.7 | 126 | 56.6 | -167.8 | 14.1 | 0 | 0 | 0 | 113.2 | | |
| 182 | S | 32.9 | Very low | 35.4 | Very low | 102 Ų | 102 | 127.1 Ų | 127.1 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | | | trans | 77.8 | 135.8 | 160.3 | -71.8 | 0 | 0 | 0 | 0 | 122 | | |
| 183 | A | 30.8 | Very low | 35.6 | Very low | 102 Ų | 102 | 124.8 Ų | 124.8 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | | | trans | 86 | 144.6 | 151.6 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 184 | C | 39.8 | Very low | 36.1 | Very low | 112 Ų | 112 | 126.6 Ų | 126.6 | 76% | 0.757 | 79% | 0.792 | S | S | * | * | | | trans | -75 | 167 | 169.8 | -46.7 | 0 | 0 | 0 | 0 | 111 | | |
| 185 | E | 33.4 | Very low | 36.2 | Very low | 180 Ų | 180 | 125.4 Ų | 125.4 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | | | | -167 | 149.5 | 120.5 | -88.5 | -46 | 81.6 | 0 | 0 | 109 | | |
| 186 | E | 40.8 | Very low | 36.4 | Very low | 176 Ų | 176 | 125.9 Ų | 125.9 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | | | trans | -100.8 | 133.5 | 175.9 | -176.5 | -162.7 | 124.9 | 0 | 0 | 110.8 | | |
| 187 | P | 41 | Very low | 36.7 | Very low | 111 Ų | 111 | 125.5 Ų | 125.5 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | | | trans | -125.3 | 160 | 163.5 | 39.8 | -27.6 | 0 | 0 | 0 | 112 | | |
| 188 | P | 39.4 | Very low | 36.7 | Very low | 117 Ų | 117 | 123.1 Ų | 123.1 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | | | | -119.8 | 174.9 | -102.4 | 16 | 6.8 | 0 | 0 | 0 | 114.5 | | |
| 189 | S | 42.3 | Very low | 37.1 | Very low | 99 Ų | 99 | 125 Ų | 125 | 69% | 0.692 | 79% | 0.793 | S | S | * | * | | | trans | -60.8 | 144.5 | 179.6 | 57.1 | 0 | 0 | 0 | 0 | 114.9 | | |
| 190 | S | 33.5 | Very low | 37.2 | Very low | 120 Ų | 120 | 123 Ų | 123 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | | | trans | -164.9 | 87.1 | 159.5 | -78.4 | 0 | 0 | 0 | 0 | 109.7 | P192 | S190-P192 WeakPolarHBondContact O-CD 3.46Š|
| 191 | D | 36.9 | Very low | 37.5 | Very low | 152 Ų | 152 | 128.2 Ų | 128.2 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | | | trans | -67.8 | 126.3 | 178.9 | -64.5 | -77.1 | 0 | 0 | 0 | 112.6 | S193 | D191-S193 PolarHBondContact O-N 3.38Š|
| 192 | P | 38.8 | Very low | 38 | Very low | 120 Ų | 120 | 126.8 Ų | 126.8 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | | | trans | -76.9 | 106.2 | 160.2 | 31.1 | -29.2 | 0 | 0 | 0 | 108.8 | S190 S194 | S190-P192 WeakPolarHBondContact O-CD 3.46Å; P192-S194 PolarHBondContact O-N 3.23Å |
| 193 | S | 37.4 | Very low | 38 | Very low | 126 Ų | 126 | 127.8 Ų | 127.8 | 88% | 0.881 | 80% | 0.796 | S | S | * | * | | | trans | -52.5 | 123.7 | 176.6 | -177.8 | 0 | 0 | 0 | 0 | 112 | D191 | D191-S193 PolarHBondContact O-N 3.38Š|
| 194 | S | 41.9 | Very low | 38.5 | Very low | 107 Ų | 107 | 128.3 Ų | 128.3 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | | | trans | -124.8 | 122.5 | 169.9 | 179.7 | 0 | 0 | 0 | 0 | 108.3 | P192 D196 | P192-S194 PolarHBondContact O-N 3.23Å; S194-D196 PolarHBondContact O-N 2.69Å |
| 195 | S | 36.6 | Very low | 38.5 | Very low | 110 Ų | 110 | 127.9 Ų | 127.9 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | | | trans | -78 | 112.5 | -178.8 | 53.2 | 0 | 0 | 0 | 0 | 111.2 | | |
| 196 | D | 36.9 | Very low | 38.8 | Very low | 148 Ų | 148 | 127.4 Ų | 127.4 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | | | trans | -64.3 | 137 | 171.5 | -91.8 | -52.5 | 0 | 0 | 0 | 112.1 | S194 T198 | S194-D196 PolarHBondContact O-N 2.69Å; D196-T198 PolarHBondContact O-N 3Å |
| 197 | P | 42.6 | Very low | 38.9 | Very low | 114 Ų | 114 | 124.1 Ų | 124.1 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | | | trans | -75 | 118.5 | 170.5 | 30.6 | -31.9 | 0 | 0 | 0 | 110.1 | S199 | P197-S199 PolarHBondContact O-N 3.28Š|
| 198 | T | 33.4 | Very low | 38.6 | Very low | 137 Ų | 137 | 124.6 Ų | 124.6 | 84% | 0.84 | 78% | 0.784 | S | S | * | * | | | trans | -68 | 95.2 | 179.5 | 53.5 | 0 | 0 | 0 | 0 | 112 | D196 | D196-T198 PolarHBondContact O-N 3Š|
| 199 | S | 42.1 | Very low | 38.5 | Very low | 114 Ų | 114 | 124.8 Ų | 124.8 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | | | trans | -87.8 | 100.8 | 165 | 178.8 | 0 | 0 | 0 | 0 | 109.4 | P197 E201 | P197-S199 PolarHBondContact O-N 3.28Å; S199-E201 PolarHBondContact O-N 3.42Å |
| 200 | S | 36.8 | Very low | 38.4 | Very low | 108 Ų | 108 | 125.5 Ų | 125.5 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | | | trans | -63.6 | 120 | 178.9 | -55.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 201 | E | 38.2 | Very low | 38.7 | Very low | 183 Ų | 183 | 128.4 Ų | 128.4 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | | | trans | -66.1 | 136.4 | 170.9 | -70.2 | 177 | 72.6 | 0 | 0 | 111.3 | S199 S203 | S199-E201 PolarHBondContact O-N 3.42Å; E201-S203 PolarHBondContact O-N 2.99Å |
| 202 | P | 42.3 | Very low | 39 | Very low | 124 Ų | 124 | 127.1 Ų | 127.1 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | | | trans | -74 | 108.5 | 169.4 | 30 | -31.8 | 0 | 0 | 0 | 109.5 | S204 | P202-S204 PolarHBondContact O-N 3.05Š|
| 203 | S | 33.4 | Very low | 39.1 | Very low | 123 Ų | 123 | 129.5 Ų | 129.5 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | | | trans | -62 | 104.6 | 175.5 | -174.7 | 0 | 0 | 0 | 0 | 110.8 | E201 S205 | E201-S203 PolarHBondContact O-N 2.99Å; S203-S205 PolarHBondContact O-N 2.94Å |
| 204 | S | 41.2 | Very low | 39.4 | Very low | 113 Ų | 113 | 129.2 Ų | 129.2 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | | | trans | -86.4 | 103.3 | 173.5 | -178.1 | 0 | 0 | 0 | 0 | 109.3 | P202 E206 | P202-S204 PolarHBondContact O-N 3.05Å; S204-E206 PolarHBondContact O-N 3.09Å |
| 205 | S | 39.2 | Very low | 39.1 | Very low | 103 Ų | 103 | 127.3 Ų | 127.3 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | | | trans | -67.4 | 120.6 | 173.7 | 52 | 0 | 0 | 0 | 0 | 111 | S203 P207 | S203-S205 PolarHBondContact O-N 2.94Å; S205-P207 WeakPolarHBondContact O-CD 3.39Å |
| 206 | E | 40.2 | Very low | 39.4 | Very low | 171 Ų | 171 | 129 Ų | 129 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | | | trans | -66.7 | 121.8 | 178 | -171.8 | 178.1 | 106.7 | 0 | 0 | 111.4 | S204 T208 | S204-E206 PolarHBondContact O-N 3.09Å; E206-T208 PolarHBondContact O-N 3.21Å |
| 207 | P | 43.4 | Very low | 39.5 | Very low | 107 Ų | 107 | 127.3 Ų | 127.3 | 70% | 0.695 | 79% | 0.79 | S | S | * | * | | | trans | -77 | 111.4 | 174.8 | 30.6 | -31.9 | 0 | 0 | 0 | 109.6 | S205 C209 | S205-P207 WeakPolarHBondContact O-CD 3.39Å; P207-C209 PolarHBondContact O-N 3.09Å |
| 208 | T | 35.3 | Very low | 39.3 | Very low | 121 Ų | 121 | 127.6 Ų | 127.6 | 74% | 0.742 | 79% | 0.789 | S | S | * | * | | | trans | -67.8 | 97.8 | 176.2 | 52.5 | 0 | 0 | 0 | 0 | 110.9 | E206 S210 | E206-T208 PolarHBondContact O-N 3.21Å; T208-S210 PolarHBondContact O-N 2.96Å; T208-S210 VanDerWaalsContact O-N 3.08Å |
| 209 | C | 36.1 | Very low | 39.8 | Very low | 121 Ų | 121 | 126.7 Ų | 126.7 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | trans | -65.5 | 103.8 | 171.7 | -68.6 | 0 | 0 | 0 | 0 | 110.7 | P207 E211 | P207-C209 PolarHBondContact O-N 3.09Å; C209-E211 PolarHBondContact O-N 2.94Å |
| 210 | S | 40.2 | Very low | 39.6 | Very low | 113 Ų | 113 | 129.4 Ų | 129.4 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 118.1 | 164.9 | -61.4 | 0 | 0 | 0 | 0 | 109.5 | T208 | T208-S210 PolarHBondContact O-N 2.96Å; T208-S210 VanDerWaalsContact O-N 3.08Å |
| 211 | E | 40 | Very low | 39.9 | Very low | 182 Ų | 182 | 133.1 Ų | 133.1 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 126.1 | 176.6 | -66.5 | 176.7 | 96.1 | 0 | 0 | 111.1 | C209 I213 | C209-E211 PolarHBondContact O-N 2.94Å; E211-I213 PolarHBondContact O-N 3.08Å |
| 212 | P | 42.6 | Very low | 39.6 | Very low | 124 Ų | 124 | 128.6 Ų | 128.6 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 121.6 | 168.2 | 28.8 | -31.9 | 0 | 0 | 0 | 109.1 | S214 | P212-S214 PolarHBondContact O-N 2.8Å; P212-S214 VanDerWaalsContact O-N 3.15Å |
| 213 | I | 42.2 | Very low | 39.1 | Very low | 170 Ų | 170 | 126.3 Ų | 126.3 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 117.3 | -179.1 | -35.3 | 174.9 | 0 | 0 | 0 | 108.9 | E211 G215 | E211-I213 PolarHBondContact O-N 3.08Å; I213-G215 PolarHBondContact O-N 3.01Å; I213-G215 VanDerWaalsContact O-N 3.08Å |
| 214 | S | 42.3 | Very low | 39.6 | Very low | 120 Ų | 120 | 126.1 Ų | 126.1 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | | | trans | -68.1 | 108.7 | -178.7 | -169.8 | 0 | 0 | 0 | 0 | 110.8 | P212 | P212-S214 PolarHBondContact O-N 2.8Å; P212-S214 VanDerWaalsContact O-N 3.15Å |
| 215 | G | 36.8 | Very low | 39.5 | Very low | 67 Ų | 67 | 128.7 Ų | 128.7 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | | | trans | -96.5 | 109.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110 | I213 P217 | I213-G215 PolarHBondContact O-N 3.01Å; I213-G215 VanDerWaalsContact O-N 3.08Å; G215-P217 WeakPolarHBondContact O-CD 3.39Å |
| 216 | D | 42.2 | Very low | 39.7 | Very low | 146 Ų | 146 | 131.4 Ų | 131.4 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | | | trans | -70.5 | 114.3 | -179.7 | -169.2 | 13.9 | 0 | 0 | 0 | 110.7 | V218 | D216-V218 PolarHBondContact O-N 3.28Å; D216-V218 VanDerWaalsContact O-N 3.16Å |
| 217 | P | 39.3 | Very low | 39.5 | Very low | 113 Ų | 113 | 130.6 Ų | 130.6 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | | | trans | -77.7 | 103.2 | -177.8 | 31 | -32.4 | 0 | 0 | 0 | 110.3 | G215 S219 | G215-P217 WeakPolarHBondContact O-CD 3.39Å; P217-S219 PolarHBondContact O-N 3.26Å |
| 218 | V | 38.1 | Very low | 39.4 | Very low | 120 Ų | 120 | 132.1 Ų | 132.1 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | | | trans | -56.2 | 123.1 | 172.6 | 177.6 | 0 | 0 | 0 | 0 | 109.8 | D216 E220 | D216-V218 PolarHBondContact O-N 3.28Å; D216-V218 VanDerWaalsContact O-N 3.16Å; V218-E220 HydrophobicContact CG1-CG 4.38Å; V218-E220 PolarHBondContact O-N 2.96Å |
| 219 | S | 43.8 | Very low | 39.6 | Very low | 117 Ų | 117 | 131.9 Ų | 131.9 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | | | trans | -69.3 | 109.2 | 175 | -176.2 | 0 | 0 | 0 | 0 | 110.5 | P217 | P217-S219 PolarHBondContact O-N 3.26Š|
| 220 | E | 37.7 | Very low | 39.5 | Very low | 172 Ų | 172 | 128.6 Ų | 128.6 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | -112.1 | 118.1 | 166.3 | -65.7 | -159.8 | 155.2 | 0 | 0 | 109.7 | V218 | V218-E220 HydrophobicContact CG1-CG 4.38Å; V218-E220 PolarHBondContact O-N 2.96Å |
| 221 | E | 43.1 | Very low | 39.4 | Very low | 186 Ų | 186 | 130.3 Ų | 130.3 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | | | trans | -89.2 | 114.3 | -178.8 | -156.2 | -93.4 | 143.5 | 0 | 0 | 108.5 | | |
| 222 | A | 31.5 | Very low | 39.1 | Very low | 88 Ų | 88 | 126.7 Ų | 126.7 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | | | trans | -144.9 | 92.2 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 223 | A | 32.6 | Very low | 38.5 | Very low | 76 Ų | 76 | 126.6 Ų | 126.6 | 63% | 0.628 | 77% | 0.773 | S | S | * | * | | | trans | 28.1 | 124.7 | 144.5 | 0 | 0 | 0 | 0 | 0 | 120.4 | H225 | A223-H225 PolarHBondContact O-N 3.22Š|
| 224 | S | 44.8 | Very low | 38.1 | Very low | 118 Ų | 118 | 124.8 Ų | 124.8 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | | | trans | -53.2 | 127.4 | 167.3 | 45.5 | 0 | 0 | 0 | 0 | 114.1 | | |
| 225 | H | 37.8 | Very low | 37.6 | Very low | 167 Ų | 167 | 124.1 Ų | 124.1 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | | | trans | -134.1 | 118.9 | 163.7 | -87.1 | -74.7 | 0 | 0 | 0 | 111.4 | A223 | A223-H225 PolarHBondContact O-N 3.22Š|
| 226 | D | 43.3 | Very low | 37.7 | Very low | 161 Ų | 161 | 129.6 Ų | 129.6 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | | | trans | -62.7 | 126.8 | 171.8 | -175.4 | 12 | 0 | 0 | 0 | 110.2 | | |
| 227 | L | 37.3 | Very low | 37.3 | Very low | 153 Ų | 153 | 128.1 Ų | 128.1 | 80% | 0.801 | 78% | 0.775 | S | S | * | * | | | trans | -136.1 | 122 | -179.6 | -75.2 | 179.8 | 0 | 0 | 0 | 110.8 | S229 | L227-S229 PolarHBondContact O-N 2.85Š|
| 228 | V | 40.5 | Very low | 37.1 | Very low | 140 Ų | 140 | 129.6 Ų | 129.6 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 126.8 | 178.9 | 63 | 0 | 0 | 0 | 0 | 111.2 | G230 | V228-G230 PolarHBondContact O-N 3.04Š|
| 229 | S | 39.2 | Very low | 37 | Very low | 116 Ų | 116 | 129.5 Ų | 129.5 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 125.1 | 172.7 | -164.7 | 0 | 0 | 0 | 0 | 109.9 | L227 | L227-S229 PolarHBondContact O-N 2.85Š|
| 230 | G | 34.8 | Very low | 36.6 | Very low | 51 Ų | 51 | 126.9 Ų | 126.9 | 53% | 0.526 | 78% | 0.778 | S | S | . | * | P | Polyproline II helix | trans | -85.9 | 137.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | V228 S232 | V228-G230 PolarHBondContact O-N 3.04Å; G230-S232 PolarHBondContact O-N 3.41Å; G230-S232 PolarHBondContact O-OG 3.12Å |
| 231 | D | 36.7 | Very low | 36.6 | Very low | 150 Ų | 150 | 127.2 Ų | 127.2 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 132.6 | 171.3 | -178.7 | -116.6 | 0 | 0 | 0 | 111.1 | | |
| 232 | S | 34 | Very low | 36.3 | Very low | 106 Ų | 106 | 123.7 Ų | 123.7 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | | | trans | -130.6 | 91.4 | -176.4 | -68.9 | 0 | 0 | 0 | 0 | 108.9 | G230 C234 | G230-S232 PolarHBondContact O-N 3.41Å; G230-S232 PolarHBondContact O-OG 3.12Å; S232-C234 PolarHBondContact O-N 2.81Å; S232-C234 VanDerWaalsContact O-N 3.16Å |
| 233 | T | 30.1 | Very low | 36.4 | Very low | 122 Ų | 122 | 124.8 Ų | 124.8 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | | | trans | -59.1 | 112.9 | -177.5 | 55.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 234 | C | 33.8 | Very low | 36.5 | Very low | 131 Ų | 131 | 126.9 Ų | 126.9 | 89% | 0.885 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 127.8 | 170.9 | -167.2 | 0 | 0 | 0 | 0 | 109.9 | S232 | S232-C234 PolarHBondContact O-N 2.81Å; S232-C234 VanDerWaalsContact O-N 3.16Å |
| 235 | S | 33.1 | Very low | 36 | Very low | 106 Ų | 106 | 129.6 Ų | 129.6 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 119.1 | 176.2 | 57 | 0 | 0 | 0 | 0 | 110.8 | | |
| 236 | E | 37.3 | Very low | 35.9 | Very low | 182 Ų | 182 | 130.9 Ų | 130.9 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 130.8 | -178.1 | -165.6 | -179 | 125.1 | 0 | 0 | 112.9 | | |
| 237 | P | 34.9 | Very low | 35.5 | Very low | 116 Ų | 116 | 127.7 Ų | 127.7 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 125.6 | 174.3 | 32.1 | -31.8 | 0 | 0 | 0 | 111.4 | S239 | P237-S239 PolarHBondContact O-N 2.95Š|
| 238 | V | 34.9 | Very low | 35.3 | Very low | 144 Ų | 144 | 124.7 Ų | 124.7 | 87% | 0.873 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 120.1 | 172.9 | 171.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 239 | S | 36.7 | Very low | 34.9 | Very low | 117 Ų | 117 | 123.6 Ų | 123.6 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 139.7 | 172.5 | -164.3 | 0 | 0 | 0 | 0 | 111.2 | P237 | P237-S239 PolarHBondContact O-N 2.95Š|
| 240 | G | 33.9 | Very low | 34.8 | Very low | 63 Ų | 63 | 123.3 Ų | 123.3 | 65% | 0.649 | 78% | 0.776 | S | S | * | * | | | trans | -106.3 | 126.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | P242 | G240-P242 WeakPolarHBondContact O-CD 3.45Š|
| 241 | E | 39.1 | Very low | 35 | Very low | 179 Ų | 179 | 129.3 Ų | 129.3 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 122.4 | -178.2 | -170.2 | -174.4 | 124.1 | 0 | 0 | 112.2 | | |
| 242 | P | 36 | Very low | 35 | Very low | 111 Ų | 111 | 127.7 Ų | 127.7 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 118.5 | 175.1 | 31.8 | -31.6 | 0 | 0 | 0 | 111.2 | G240 S244 | G240-P242 WeakPolarHBondContact O-CD 3.45Å; P242-S244 PolarHBondContact O-N 3.36Å |
| 243 | V | 34.1 | Very low | 34.9 | Very low | 112 Ų | 112 | 127.1 Ų | 127.1 | 68% | 0.679 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -66 | 116.9 | 175.8 | 178.2 | 0 | 0 | 0 | 0 | 110.4 | H245 | V243-H245 PolarHBondContact O-N 2.94Š|
| 244 | S | 33.5 | Very low | 35.2 | Very low | 120 Ų | 120 | 128.2 Ų | 128.2 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 128.1 | 174.4 | -75.1 | 0 | 0 | 0 | 0 | 111.9 | P242 | P242-S244 PolarHBondContact O-N 3.36Š|
| 245 | H | 35.9 | Very low | 35.4 | Very low | 174 Ų | 174 | 127.2 Ų | 127.2 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 125.3 | 171.1 | -65.8 | -62.3 | 0 | 0 | 0 | 110.9 | V243 A247 | V243-H245 PolarHBondContact O-N 2.94Å; H245-A247 PolarHBondContact O-N 2.97Å |
| 246 | E | 34.9 | Very low | 35.7 | Very low | 194 Ų | 194 | 130.9 Ų | 130.9 | 91% | 0.907 | 80% | 0.796 | S | S | * | * | | | trans | -66.2 | 114.9 | 178 | -171 | -171.1 | 141.5 | 0 | 0 | 111 | A248 | E246-A248 PolarHBondContact O-N 2.91Š|
| 247 | A | 34.9 | Very low | 35.8 | Very low | 95 Ų | 95 | 127.7 Ų | 127.7 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | | | trans | -83.8 | 112.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | H245 S249 | H245-A247 PolarHBondContact O-N 2.97Å; A247-S249 PolarHBondContact O-N 3.1Å |
| 248 | A | 32.1 | Very low | 35.7 | Very low | 89 Ų | 89 | 126.5 Ų | 126.5 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | | | trans | -61.6 | 128.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E246 | E246-A248 PolarHBondContact O-N 2.91Š|
| 249 | S | 34 | Very low | 35.7 | Very low | 118 Ų | 118 | 125.6 Ų | 125.6 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | | | trans | -61.3 | 138.7 | 177.3 | -176 | 0 | 0 | 0 | 0 | 112.1 | A247 | A247-S249 PolarHBondContact O-N 3.1Š|
| 250 | S | 35.7 | Very low | 35.9 | Very low | 110 Ų | 110 | 127.8 Ų | 127.8 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | | | trans | -125.1 | 115.1 | 163.5 | 43.3 | 0 | 0 | 0 | 0 | 109.2 | P252 | S250-P252 WeakPolarHBondContact O-CD 3.49Š|
| 251 | E | 38.5 | Very low | 36.1 | Very low | 177 Ų | 177 | 132.3 Ų | 132.3 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 118 | -169.2 | -171.9 | -176.3 | 127.9 | 0 | 0 | 111.5 | A253 | E251-A253 PolarHBondContact O-N 3.23Š|
| 252 | P | 38.2 | Very low | 36.4 | Very low | 116 Ų | 116 | 129.4 Ų | 129.4 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 118.5 | 172.8 | 30.7 | -31.8 | 0 | 0 | 0 | 110 | S250 T254 | S250-P252 WeakPolarHBondContact O-CD 3.49Å; P252-T254 PolarHBondContact O-N 3.41Å |
| 253 | A | 31.8 | Very low | 36.4 | Very low | 94 Ų | 94 | 129.9 Ų | 129.9 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 135.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E251 S255 | E251-A253 PolarHBondContact O-N 3.23Å; A253-S255 PolarHBondContact O-N 3Å |
| 254 | T | 36.6 | Very low | 36.5 | Very low | 144 Ų | 144 | 128.4 Ų | 128.4 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | | | trans | -70.5 | 115.2 | -179.1 | 53.3 | 0 | 0 | 0 | 0 | 112.2 | P252 | P252-T254 PolarHBondContact O-N 3.41Š|
| 255 | S | 37.3 | Very low | 36.7 | Very low | 111 Ų | 111 | 133.9 Ų | 133.9 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | | | trans | -106.9 | 109.9 | 161.4 | 57.9 | 0 | 0 | 0 | 0 | 110.4 | A253 P257 | A253-S255 PolarHBondContact O-N 3Å; S255-P257 WeakPolarHBondContact O-CD 3.32Å |
| 256 | E | 39.2 | Very low | 36.6 | Very low | 182 Ų | 182 | 131.9 Ų | 131.9 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 121 | 179.3 | -178.7 | -173.3 | 121.1 | 0 | 0 | 112.1 | | |
| 257 | P | 39.8 | Very low | 36.6 | Very low | 115 Ų | 115 | 128.5 Ų | 128.5 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 127.1 | 162.2 | 33.4 | -28.2 | 0 | 0 | 0 | 109.9 | S255 | S255-P257 WeakPolarHBondContact O-CD 3.32Š|
| 258 | A | 32.9 | Very low | 36.5 | Very low | 91 Ų | 91 | 128.6 Ų | 128.6 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 146.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 259 | S | 35 | Very low | 36.5 | Very low | 125 Ų | 125 | 129 Ų | 129 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 129 | 173.4 | -60.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 260 | D | 40.5 | Very low | 36.6 | Very low | 164 Ų | 164 | 129.3 Ų | 129.3 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -102.9 | 134.6 | 162.1 | -112 | -51.1 | 0 | 0 | 0 | 109.3 | | |
| 261 | E | 39 | Very low | 36.4 | Very low | 157 Ų | 157 | 133.4 Ų | 133.4 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 123.5 | -170.6 | -173.4 | -168.2 | 123.6 | 0 | 0 | 111.8 | V263 | E261-V263 PolarHBondContact O-N 2.96Š|
| 262 | P | 44.2 | Very low | 36 | Very low | 118 Ų | 118 | 133 Ų | 133 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | | | trans | -76.1 | 90.3 | 172.1 | 31.1 | -33.3 | 0 | 0 | 0 | 110.4 | A264 | P262-A264 PolarHBondContact O-N 2.82Š|
| 263 | V | 36.1 | Very low | 35.8 | Very low | 122 Ų | 122 | 131.9 Ų | 131.9 | 74% | 0.739 | 80% | 0.804 | S | S | * | * | | | trans | -51.4 | 110.8 | -178.8 | -178.3 | 0 | 0 | 0 | 0 | 111.4 | E261 R265 | E261-V263 PolarHBondContact O-N 2.96Å; V263-R265 PolarHBondContact O-N 2.89Å |
| 264 | A | 36.1 | Very low | 36.2 | Very low | 81 Ų | 81 | 133.8 Ų | 133.8 | 67% | 0.669 | 81% | 0.809 | S | S | * | * | | | trans | -71.7 | 119.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | P262 V266 | P262-A264 PolarHBondContact O-N 2.82Å; A264-V266 PolarHBondContact O-N 3.47Å |
| 265 | R | 37.6 | Very low | 36.2 | Very low | 234 Ų | 234 | 130.6 Ų | 130.6 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | | | trans | -65.3 | 85.2 | 175 | 50.4 | 168.3 | -168.7 | -85 | -3 | 112.4 | V263 V267 | V263-R265 PolarHBondContact O-N 2.89Å; R265-V267 PolarHBondContact O-N 3.4Å |
| 266 | V | 33.8 | Very low | 36.2 | Very low | 132 Ų | 132 | 134.8 Ų | 134.8 | 80% | 0.8 | 81% | 0.812 | S | S | * | * | | | trans | -68.2 | 101 | 172 | 179.7 | 0 | 0 | 0 | 0 | 109.5 | A264 A268 | A264-V266 PolarHBondContact O-N 3.47Å; V266-A268 PolarHBondContact O-N 2.89Å |
| 267 | V | 36.3 | Very low | 35.9 | Very low | 124 Ų | 124 | 131.9 Ų | 131.9 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | | | trans | -70.6 | 118 | 167 | -75.2 | 0 | 0 | 0 | 0 | 109.1 | R265 A269 | R265-V267 PolarHBondContact O-N 3.4Å; V267-A269 PolarHBondContact O-N 2.9Å |
| 268 | A | 31.6 | Very low | 35.8 | Very low | 97 Ų | 97 | 131.2 Ų | 131.2 | 80% | 0.802 | 82% | 0.815 | S | S | * | * | | | trans | -75.7 | 88.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | V266 | V266-A268 PolarHBondContact O-N 2.89Š|
| 269 | A | 33 | Very low | 36.1 | Very low | 97 Ų | 97 | 134.8 Ų | 134.8 | 80% | 0.802 | 82% | 0.821 | S | S | * | * | | | trans | -76.1 | 130.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | V267 | V267-A269 PolarHBondContact O-N 2.9Š|
| 270 | C | 35.6 | Very low | 36.2 | Very low | 124 Ų | 124 | 135.9 Ų | 135.9 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | | | trans | -88.8 | 116.9 | 177.3 | -61.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 271 | E | 30.4 | Very low | 36 | Very low | 196 Ų | 196 | 134.3 Ų | 134.3 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | | | trans | -156.1 | 141.3 | 142.5 | -123.3 | 176.2 | 90.7 | 0 | 0 | 110.9 | | |
| 272 | L | 31.9 | Very low | 36 | Very low | 169 Ų | 169 | 132.7 Ų | 132.7 | 89% | 0.885 | 81% | 0.813 | S | S | * | * | | | trans | -117.5 | 134.4 | 176.8 | -78.6 | 170.2 | 0 | 0 | 0 | 109 | | |
| 273 | A | 33 | Very low | 35.8 | Very low | 93 Ų | 93 | 131.4 Ų | 131.4 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | | | trans | -65 | 146.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | G275 | A273-G275 PolarHBondContact O-N 3.33Š|
| 274 | P | 40.8 | Very low | 36.6 | Very low | 134 Ų | 134 | 131.6 Ų | 131.6 | 87% | 0.87 | 82% | 0.816 | S | S | * | * | | | trans | -72.7 | 111.3 | 173.8 | 29.6 | -33.4 | 0 | 0 | 0 | 110.8 | | |
| 275 | G | 35.7 | Very low | 36.8 | Very low | 76 Ų | 76 | 133.1 Ų | 133.1 | 78% | 0.784 | 82% | 0.822 | S | S | * | * | | | trans | -85.5 | 115 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | A273 | A273-G275 PolarHBondContact O-N 3.33Š|
| 276 | E | 38.1 | Very low | 36.8 | Very low | 200 Ų | 200 | 125 Ų | 125 | 94% | 0.935 | 81% | 0.811 | S | S | * | * | | | trans | -74.2 | 158.9 | 177.5 | -147.9 | -178.7 | 139.2 | 0 | 0 | 112.2 | | |
| 277 | S | 33.3 | Very low | 37 | Very low | 121 Ų | 121 | 126.3 Ų | 126.3 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | | | trans | -84.4 | 140.4 | -162.8 | -60.9 | 0 | 0 | 0 | 0 | 114.8 | | |
| 278 | A | 37.7 | Very low | 37 | Very low | 100 Ų | 100 | 125.2 Ų | 125.2 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | | | trans | -132.7 | 143.1 | 159.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 279 | L | 38.2 | Very low | 37.3 | Very low | 167 Ų | 167 | 128.9 Ų | 128.9 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | | | trans | -80.5 | 150.5 | 179.5 | -57 | 151.5 | 0 | 0 | 0 | 108.6 | | |
| 280 | D | 38.3 | Very low | 37.6 | Very low | 147 Ų | 147 | 129.9 Ų | 129.9 | 79% | 0.786 | 81% | 0.813 | S | S | * | * | | | | -172.5 | 164.9 | 63 | -145.6 | -141.2 | 0 | 0 | 0 | 112.9 | | |
| 281 | D | 36.2 | Very low | 37.7 | Very low | 132 Ų | 132 | 131 Ų | 131 | 71% | 0.706 | 81% | 0.811 | S | S | * | * | | | trans | 16.3 | 114.1 | 158.6 | -148.8 | -87 | 0 | 0 | 0 | 122.6 | | |
| 282 | C | 38.5 | Very low | 38.2 | Very low | 122 Ų | 122 | 130.5 Ų | 130.5 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | | | | 179.6 | 132.4 | 115.4 | -104.6 | 0 | 0 | 0 | 0 | 113.2 | | |
| 283 | A | 40.2 | Very low | 39.5 | Very low | 91 Ų | 91 | 127.8 Ų | 127.8 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | | | trans | -111.3 | 178 | 168 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 284 | P | 53.3 | Low | 40.3 | Very low | 127 Ų | 127 | 129.4 Ų | 129.4 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | | | cis | -119.1 | -158.5 | -0.5 | 36.4 | -14.4 | 0 | 0 | 0 | 110.7 | | |
| 285 | S | 39.7 | Very low | 39.9 | Very low | 113 Ų | 113 | 127.8 Ų | 127.8 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | | | cis | -170.7 | 158.7 | 24.4 | 52.3 | 0 | 0 | 0 | 0 | 113 | | |
| 286 | G | 37.8 | Very low | 40 | Very low | 63 Ų | 63 | 128.5 Ų | 128.5 | 65% | 0.649 | 79% | 0.788 | S | S | * | * | | | trans | 113.4 | 118.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 287 | D | 37 | Very low | 39.8 | Very low | 159 Ų | 159 | 127.6 Ų | 127.6 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | | | | 64.2 | 125.2 | 63.6 | -80.2 | -61.1 | 0 | 0 | 0 | 113.7 | | |
| 288 | S | 37.2 | Very low | 39.9 | Very low | 101 Ų | 101 | 128.8 Ų | 128.8 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | | | cis | -157.4 | 178.3 | -3.5 | -134.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 289 | Q | 38.6 | Very low | 39.6 | Very low | 174 Ų | 174 | 129.5 Ų | 129.5 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | | | trans | -69.3 | 155 | -178 | -53.9 | 165.7 | -93 | 0 | 0 | 113 | | |
| 290 | S | 37.5 | Very low | 39.7 | Very low | 119 Ų | 119 | 129 Ų | 129 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | | | | 179.8 | 158.5 | 121.5 | -75.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 291 | D | 39.3 | Very low | 40.2 | Very low | 147 Ų | 147 | 127.2 Ų | 127.2 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | | | trans | -79.4 | 160.6 | -167.7 | -49.8 | -114.2 | 0 | 0 | 0 | 116.4 | | |
| 292 | E | 40.8 | Very low | 40.1 | Very low | 186 Ų | 186 | 132.2 Ų | 132.2 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | | | trans | 50.7 | 139.2 | 141.8 | -146.8 | 156.7 | 104.3 | 0 | 0 | 121.3 | | |
| 293 | P | 58.5 | Low | 39.9 | Very low | 111 Ų | 111 | 131.9 Ų | 131.9 | 72% | 0.721 | 78% | 0.782 | S | S | * | * | | | trans | -92.2 | -177.5 | -169.2 | 39.5 | -37.6 | 0 | 0 | 0 | 113.7 | | |
| 294 | P | 49.7 | Very low | 39.4 | Very low | 127 Ų | 127 | 134.2 Ų | 134.2 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | | | trans | -127.7 | 176.3 | 136 | 38.9 | -31.4 | 0 | 0 | 0 | 113.3 | | |
| 295 | S | 33.4 | Very low | 38.4 | Very low | 100 Ų | 100 | 134.1 Ų | 134.1 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | | | trans | -83.9 | 176.9 | -179.1 | 58.3 | 0 | 0 | 0 | 0 | 114.4 | | |
| 296 | S | 36.5 | Very low | 38.2 | Very low | 91 Ų | 91 | 134.4 Ų | 134.4 | 64% | 0.636 | 79% | 0.789 | S | S | * | * | | | trans | 76.2 | 149.8 | 138.5 | 53.4 | 0 | 0 | 0 | 0 | 121.4 | | |
| 297 | E | 33.3 | Very low | 37.9 | Very low | 181 Ų | 181 | 134.6 Ų | 134.6 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | | | trans | 77.3 | 101.5 | 159.5 | -70.4 | 165.4 | 122.1 | 0 | 0 | 120 | | |
| 298 | D | 35.4 | Very low | 37.7 | Very low | 146 Ų | 146 | 135.4 Ų | 135.4 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | | | | 37 | 116.2 | 124.6 | -155.7 | -69.7 | 0 | 0 | 0 | 120.2 | | |
| 299 | S | 33.1 | Very low | 37.6 | Very low | 115 Ų | 115 | 134.8 Ų | 134.8 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | trans | -164.4 | 122.1 | 137.7 | -85.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 300 | L | 39.8 | Very low | 37.5 | Very low | 158 Ų | 158 | 132.4 Ų | 132.4 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | | | trans | -70.2 | 168.6 | 161.7 | -64.6 | 172.5 | 0 | 0 | 0 | 111.3 | | |
| 301 | P | 48.3 | Very low | 37.4 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | | | | -146 | 135.3 | 120.7 | 33.3 | -17.5 | 0 | 0 | 0 | 116.7 | | |
| 302 | R | 34.3 | Very low | 37.2 | Very low | 237 Ų | 237 | 131.6 Ų | 131.6 | 89% | 0.894 | 79% | 0.794 | S | S | * | * | | | trans | 65.7 | 116.4 | 150.6 | -60.4 | 168 | -179.9 | 165.8 | 0.3 | 116.7 | | |
| 303 | S | 34.4 | Very low | 36.8 | Very low | 115 Ų | 115 | 129.8 Ų | 129.8 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | cis | 73.5 | 115.9 | 32.9 | -165.2 | 0 | 0 | 0 | 0 | 116.4 | | |
| 304 | V | 29.7 | Very low | 35.6 | Very low | 141 Ų | 141 | 130.4 Ų | 130.4 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | | | trans | -137.6 | 143 | 150.8 | -77.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 305 | C | 31.7 | Very low | 35.4 | Very low | 124 Ų | 124 | 130.2 Ų | 130.2 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | | | trans | -32 | 159.1 | 175 | -66.9 | 0 | 0 | 0 | 0 | 119.2 | | |
| 306 | S | 35.3 | Very low | 35.3 | Very low | 120 Ų | 120 | 129.2 Ų | 129.2 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | | | cis | -174.9 | 159.5 | 4.8 | 36.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 307 | G | 31.7 | Very low | 35.1 | Very low | 67 Ų | 67 | 133.1 Ų | 133.1 | 69% | 0.691 | 80% | 0.804 | S | S | * | * | | | trans | 115.9 | 105 | 165 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 308 | L | 34.2 | Very low | 35 | Very low | 176 Ų | 176 | 131.7 Ų | 131.7 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | | | | 61.7 | 119.4 | 61.6 | -53.2 | -179.1 | 0 | 0 | 0 | 112.4 | | |
| 309 | A | 34.7 | Very low | 34.7 | Very low | 87 Ų | 87 | 129.9 Ų | 129.9 | 72% | 0.719 | 80% | 0.8 | S | S | * | * | | | cis | -142.2 | 145.4 | 11.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 310 | S | 37.1 | Very low | 34.9 | Very low | 124 Ų | 124 | 130.8 Ų | 130.8 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | | | | 56.6 | 132 | 89.3 | -46.8 | 0 | 0 | 0 | 0 | 115.6 | | |
| 311 | G | 33.7 | Very low | 34.9 | Very low | 66 Ų | 66 | 131.6 Ų | 131.6 | 68% | 0.68 | 80% | 0.8 | S | S | * | * | | | cis | -148 | 177 | 4.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 312 | E | 36.6 | Very low | 35.4 | Very low | 183 Ų | 183 | 132.5 Ų | 132.5 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | | | | 66.4 | 133.4 | 99.9 | -77.4 | -162.6 | 25.5 | 0 | 0 | 115.1 | | |
| 313 | L | 31.6 | Very low | 35.7 | Very low | 149 Ų | 149 | 125.5 Ų | 125.5 | 78% | 0.78 | 80% | 0.799 | S | S | * | * | | | cis | -155.7 | 175.9 | 3.8 | -105 | 178.1 | 0 | 0 | 0 | 110.8 | | |
| 314 | T | 32.6 | Very low | 36 | Very low | 124 Ų | 124 | 126.8 Ų | 126.8 | 76% | 0.761 | 80% | 0.802 | S | S | * | * | | | trans | -113.6 | 178.7 | 162 | 60 | 0 | 0 | 0 | 0 | 109.8 | | |
| 315 | P | 46.6 | Very low | 36.3 | Very low | 122 Ų | 122 | 126.2 Ų | 126.2 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | | | cis | -125.3 | 178.1 | -32.8 | 37.5 | -22.3 | 0 | 0 | 0 | 113.2 | | |
| 316 | G | 30.3 | Very low | 36.6 | Very low | 80 Ų | 80 | 125.6 Ų | 125.6 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | | | trans | 72.7 | 179.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 317 | E | 32.3 | Very low | 36.7 | Very low | 173 Ų | 173 | 125.9 Ų | 125.9 | 81% | 0.808 | 78% | 0.783 | S | S | * | * | | | cis | -155.6 | 138 | -14.4 | 176.2 | -177.5 | 110.4 | 0 | 0 | 107.7 | | |
| 318 | L | 31.4 | Very low | 37.1 | Very low | 151 Ų | 151 | 132.2 Ų | 132.2 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | | | trans | 45.7 | 142.6 | 163.1 | -65.8 | 169.7 | 0 | 0 | 0 | 122.1 | | |
| 319 | S | 30.4 | Very low | 38 | Very low | 108 Ų | 108 | 129.6 Ų | 129.6 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | | | | 119.5 | 128 | 122 | -133.2 | 0 | 0 | 0 | 0 | 119.9 | | |
| 320 | V | 36.7 | Very low | 38.1 | Very low | 133 Ų | 133 | 131 Ų | 131 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | | | trans | 60.7 | 127.5 | 158.7 | -123.2 | 0 | 0 | 0 | 0 | 122.8 | | |
| 321 | E | 40.3 | Very low | 38.2 | Very low | 176 Ų | 176 | 130.7 Ų | 130.7 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | | | trans | -53.9 | 171.3 | 145.3 | -75 | -162.4 | 129.9 | 0 | 0 | 113 | | |
| 322 | P | 57.1 | Low | 38.5 | Very low | 127 Ų | 127 | 132.9 Ų | 132.9 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | | | cis | -150.3 | -170.1 | 37.5 | 42.7 | -18.9 | 0 | 0 | 0 | 118.6 | | |
| 323 | A | 42.1 | Very low | 38.4 | Very low | 89 Ų | 89 | 128.8 Ų | 128.8 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | | | trans | -83.4 | 166.9 | -170.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 324 | T | 40.2 | Very low | 38.6 | Very low | 143 Ų | 143 | 128.1 Ų | 128.1 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | | | trans | 167.5 | 160.6 | 151.3 | 29.1 | 0 | 0 | 0 | 0 | 108.9 | | |
| 325 | D | 35.9 | Very low | 38.7 | Very low | 129 Ų | 129 | 128.6 Ų | 128.6 | 69% | 0.69 | 80% | 0.798 | S | S | * | * | | | cis | -170.3 | 145.8 | -26.9 | -178.2 | 6.5 | 0 | 0 | 0 | 109.3 | | |
| 326 | T | 37.4 | Very low | 38.5 | Very low | 111 Ų | 111 | 132 Ų | 132 | 68% | 0.681 | 80% | 0.804 | S | S | * | * | | | trans | 52.5 | 169.9 | 162.7 | 27.8 | 0 | 0 | 0 | 0 | 120.7 | | |
| 327 | V | 38.8 | Very low | 38.9 | Very low | 125 Ų | 125 | 132.5 Ų | 132.5 | 76% | 0.758 | 80% | 0.8 | S | S | * | * | | | cis | -149.9 | 139.3 | 10.4 | -129.5 | 0 | 0 | 0 | 0 | 114.4 | | |
| 328 | K | 38.6 | Very low | 38.9 | Very low | 201 Ų | 201 | 127.8 Ų | 127.8 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | | | trans | 57 | 154.3 | 141.8 | -94.9 | -161.9 | 168.8 | -174.9 | 0 | 126.3 | | |
| 329 | P | 54.6 | Low | 40 | Very low | 120 Ų | 120 | 126.3 Ų | 126.3 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | | | trans | -125.3 | -175.5 | -174.7 | 46.5 | -33.7 | 0 | 0 | 0 | 117.2 | | |
| 330 | S | 35.4 | Very low | 40.3 | Very low | 117 Ų | 117 | 128.4 Ų | 128.4 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | -158.2 | 167.3 | 159.3 | 73.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 331 | S | 39.9 | Very low | 41.6 | Very low | 118 Ų | 118 | 126.8 Ų | 126.8 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | | | cis | -154.8 | -172.7 | 7.1 | -161.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 332 | S | 39.6 | Very low | 41.2 | Very low | 112 Ų | 112 | 125.5 Ų | 125.5 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | | | trans | -145.1 | 152.6 | -162.9 | 60.7 | 0 | 0 | 0 | 0 | 117.8 | | |
| 333 | A | 35.5 | Very low | 40.4 | Very low | 97 Ų | 97 | 128 Ų | 128 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | | | trans | -163.7 | 140.2 | 154.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 334 | V | 35.4 | Very low | 40.2 | Very low | 135 Ų | 135 | 129.6 Ų | 129.6 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | cis | 110.9 | 115 | 19.7 | 166.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 335 | C | 35.3 | Very low | 40.2 | Very low | 133 Ų | 133 | 131.1 Ų | 131.1 | 90% | 0.899 | 79% | 0.787 | S | S | * | * | | | trans | -176.7 | 159.3 | 142.6 | -104.3 | 0 | 0 | 0 | 0 | 114 | | |
| 336 | E | 42.4 | Very low | 41 | Very low | 194 Ų | 194 | 129.4 Ų | 129.4 | 91% | 0.907 | 78% | 0.783 | S | S | * | * | | | trans | -107 | 177.7 | -179 | -90.4 | -169.8 | 115.5 | 0 | 0 | 111.6 | | |
| 337 | A | 37.2 | Very low | 41 | Very low | 91 Ų | 91 | 129.2 Ų | 129.2 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | | | cis | -172.8 | 166.2 | -22.3 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 338 | G | 32.7 | Very low | 41.1 | Very low | 73 Ų | 73 | 127.5 Ų | 127.5 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | | | trans | 165.8 | 147.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 339 | P | 55.3 | Low | 41.2 | Very low | 120 Ų | 120 | 124.3 Ų | 124.3 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | | | trans | -135.4 | 162.2 | -163.5 | 43.8 | -27.6 | 0 | 0 | 0 | 119.4 | | |
| 340 | D | 36.7 | Very low | 40.5 | Very low | 153 Ų | 153 | 125.3 Ų | 125.3 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | trans | 66.7 | -179.5 | 146.5 | -98.5 | -28.6 | 0 | 0 | 0 | 118.8 | | |
| 341 | P | 62.4 | Low | 40.9 | Very low | 99 Ų | 99 | 124.4 Ų | 124.4 | 64% | 0.643 | 76% | 0.764 | S | S | * | * | | | | -137.3 | -179.2 | -88.4 | 36.4 | -13.5 | 0 | 0 | 0 | 115.7 | | |
| 342 | D | 31.9 | Very low | 40.9 | Very low | 149 Ų | 149 | 125.4 Ų | 125.4 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | | | trans | 157.9 | 162.1 | 141.9 | -91.9 | -21.2 | 0 | 0 | 0 | 110.6 | | |
| 343 | K | 41.5 | Very low | 41 | Very low | 179 Ų | 179 | 127 Ų | 127 | 78% | 0.778 | 76% | 0.76 | S | S | * | * | | | cis | 156.4 | 151.4 | -31 | -94.8 | -78.7 | -175.4 | -177.7 | 0 | 108.1 | | |
| 344 | T | 37.3 | Very low | 41.5 | Very low | 122 Ų | 122 | 128.7 Ų | 128.7 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | | | trans | 77.6 | 105.2 | 166.3 | -13.9 | 0 | 0 | 0 | 0 | 115.6 | | |
| 345 | E | 40.4 | Very low | 42.3 | Very low | 175 Ų | 175 | 127.9 Ų | 127.9 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | | | | 52.5 | 156.9 | 64.8 | -80.7 | -162.1 | 110.8 | 0 | 0 | 116.1 | | |
| 346 | P | 52.8 | Low | 42.2 | Very low | 94 Ų | 94 | 124.5 Ų | 124.5 | 61% | 0.61 | 75% | 0.75 | S | S | * | * | | | cis | -139.2 | -150.4 | -31.2 | 38.3 | -18.8 | 0 | 0 | 0 | 111.1 | | |
| 347 | S | 38.1 | Very low | 42.2 | Very low | 107 Ų | 107 | 125.1 Ų | 125.1 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | | | trans | 76.9 | 147.6 | 154.2 | 75.3 | 0 | 0 | 0 | 0 | 118.1 | | |
| 348 | S | 40.9 | Very low | 42.1 | Very low | 88 Ų | 88 | 124.4 Ų | 124.4 | 62% | 0.615 | 74% | 0.739 | S | S | * | * | | | cis | -175.2 | 158.5 | -13.6 | 48.1 | 0 | 0 | 0 | 0 | 111.9 | | |
| 349 | N | 39.9 | Very low | 42.4 | Very low | 134 Ų | 134 | 128.7 Ų | 128.7 | 72% | 0.717 | 74% | 0.74 | S | S | * | * | | | trans | 61.2 | 111.1 | 149.3 | -60.1 | -4.7 | 0 | 0 | 0 | 117.5 | | |
| 350 | N | 39.2 | Very low | 41.6 | Very low | 142 Ų | 142 | 129.7 Ų | 129.7 | 76% | 0.759 | 74% | 0.739 | S | S | * | * | | | | 88.9 | 114 | 74.7 | -74.2 | 3.8 | 0 | 0 | 0 | 114.1 | | |
| 351 | S | 43.6 | Very low | 42.2 | Very low | 97 Ų | 97 | 130.2 Ų | 130.2 | 68% | 0.678 | 74% | 0.741 | S | S | * | * | | | trans | 65.2 | 160.2 | 142.4 | 68 | 0 | 0 | 0 | 0 | 122.7 | | |
| 352 | D | 40.4 | Very low | 41.4 | Very low | 140 Ų | 140 | 132.9 Ų | 132.9 | 75% | 0.749 | 75% | 0.745 | S | S | * | * | | | trans | 90.4 | 146.6 | 155 | -53.7 | -57.5 | 0 | 0 | 0 | 120.7 | | |
| 353 | D | 41.3 | Very low | 42.2 | Very low | 146 Ų | 146 | 133.4 Ų | 133.4 | 78% | 0.781 | 74% | 0.742 | S | S | * | * | | | trans | 39.5 | 98.9 | 172.4 | -85.6 | -113.2 | 0 | 0 | 0 | 120.1 | P355 | D353-P355 VanDerWaalsContact O-CD 3.24Å; D353-P355 WeakPolarHBondContact O-CD 3.49Å |
| 354 | C | 46.7 | Very low | 42.3 | Very low | 131 Ų | 131 | 131.7 Ų | 131.7 | 89% | 0.885 | 74% | 0.741 | S | S | * | * | | | trans | -88.6 | 105.8 | 151.3 | -61.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 355 | P | 51.6 | Low | 42.4 | Very low | 118 Ų | 118 | 131.2 Ų | 131.2 | 77% | 0.766 | 73% | 0.734 | S | S | * | * | | | trans | -71.9 | 137.1 | 168.6 | 30.8 | -34.1 | 0 | 0 | 0 | 110.2 | D353 | D353-P355 VanDerWaalsContact O-CD 3.24Å; D353-P355 WeakPolarHBondContact O-CD 3.49Å |
| 356 | G | 34.6 | Very low | 42.5 | Very low | 63 Ų | 63 | 129.8 Ų | 129.8 | 65% | 0.649 | 73% | 0.727 | S | S | * | * | | | trans | -82.1 | -161.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 357 | K | 40.7 | Very low | 41.8 | Very low | 206 Ų | 206 | 131.1 Ų | 131.1 | 90% | 0.896 | 73% | 0.728 | S | S | * | * | | | trans | 81.1 | 147 | -167.2 | -53.5 | 173.3 | -173.9 | 176.8 | 0 | 112.1 | | |
| 358 | S | 36.8 | Very low | 41.8 | Very low | 77 Ų | 77 | 134.1 Ų | 134.1 | 54% | 0.538 | 73% | 0.73 | S | S | . | * | | | cis | -171 | 174.7 | -10.1 | 36.6 | 0 | 0 | 0 | 0 | 108 | | |
| 359 | E | 38.7 | Very low | 41.7 | Very low | 162 Ų | 162 | 134.4 Ų | 134.4 | 76% | 0.757 | 73% | 0.732 | S | S | * | * | | | trans | 61.7 | 142.6 | 156.7 | -64.5 | 133.9 | 164.1 | 0 | 0 | 117.2 | | |
| 360 | D | 38.6 | Very low | 41.9 | Very low | 142 Ų | 142 | 136.2 Ų | 136.2 | 76% | 0.759 | 73% | 0.734 | S | S | * | * | | | cis | 174.8 | 165.9 | -25.3 | -108.3 | -56.6 | 0 | 0 | 0 | 103.5 | | |
| 361 | D | 49.3 | Very low | 41.6 | Very low | 163 Ų | 163 | 134.9 Ų | 134.9 | 87% | 0.872 | 73% | 0.727 | S | S | * | * | | | trans | -103.9 | 107.1 | -171.1 | -177.3 | 3 | 0 | 0 | 0 | 112.1 | | |
| 362 | E | 46.2 | Very low | 41.3 | Very low | 156 Ų | 156 | 135.3 Ų | 135.3 | 73% | 0.729 | 73% | 0.73 | S | S | * | * | | | trans | -162.5 | 149.3 | 169 | 53.4 | -170 | 138.2 | 0 | 0 | 110.7 | | |
| 363 | H | 48 | Very low | 40.8 | Very low | 159 Ų | 159 | 134.6 Ų | 134.6 | 74% | 0.736 | 73% | 0.734 | S | S | * | * | | | cis | -176.5 | 153.3 | 46.4 | 53.8 | -71 | 0 | 0 | 0 | 108.6 | | |
| 364 | L | 43.3 | Very low | 40.4 | Very low | 143 Ų | 143 | 135.1 Ų | 135.1 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | | | cis | -120.6 | -132.2 | -7.5 | -64.8 | 170.7 | 0 | 0 | 0 | 107.2 | | |
| 365 | D | 40.2 | Very low | 40.3 | Very low | 113 Ų | 113 | 137.3 Ų | 137.3 | 60% | 0.604 | 73% | 0.734 | S | S | * | * | | | cis | -164.8 | 170.4 | -7.6 | -133.4 | -2.5 | 0 | 0 | 0 | 108 | | |
| 366 | Q | 42.6 | Very low | 39.4 | Very low | 144 Ų | 144 | 135.2 Ų | 135.2 | 67% | 0.673 | 73% | 0.734 | S | S | * | * | | | cis | -146 | 128.9 | -4 | -164.2 | 170.2 | 109.4 | 0 | 0 | 110.5 | | |
| 367 | I | 38 | Very low | 39.6 | Very low | 122 Ų | 122 | 139.2 Ų | 139.2 | 63% | 0.626 | 74% | 0.741 | S | S | * | * | | | trans | 47.5 | 112.3 | 148.5 | -61.7 | 176.3 | 0 | 0 | 0 | 120.5 | | |
| 368 | Q | 38.1 | Very low | 39.7 | Very low | 170 Ų | 170 | 137.4 Ų | 137.4 | 79% | 0.794 | 73% | 0.733 | S | S | * | * | | | | 44.8 | 150 | 123.9 | -52.2 | 172.2 | 24.4 | 0 | 0 | 121.8 | | |
| 369 | S | 38.9 | Very low | 39.6 | Very low | 95 Ų | 95 | 139.4 Ų | 139.4 | 66% | 0.664 | 74% | 0.742 | S | S | * | * | | | cis | -176.4 | 154 | -14 | -91.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 370 | K | 42.5 | Very low | 39.5 | Very low | 171 Ų | 171 | 138.5 Ų | 138.5 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | | | trans | 81.7 | 140.4 | 139.8 | -90.8 | 173.8 | 143.6 | -96.8 | 0 | 124.6 | | |
| 371 | D | 33.7 | Very low | 39.5 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 62% | 0.615 | 74% | 0.738 | S | S | * | * | | | trans | 77.7 | 95.5 | 140.8 | -58.6 | -21.2 | 0 | 0 | 0 | 122.7 | | |
| 372 | S | 36.3 | Very low | 38.9 | Very low | 106 Ų | 106 | 135.8 Ų | 135.8 | 74% | 0.741 | 74% | 0.735 | S | S | * | * | | | trans | 65 | 136.9 | 130.2 | 65.6 | 0 | 0 | 0 | 0 | 124.5 | | |
| 373 | C | 31.8 | Very low | 38.6 | Very low | 124 Ų | 124 | 134.6 Ų | 134.6 | 84% | 0.838 | 74% | 0.738 | S | S | * | * | | | trans | 32.2 | 140.8 | 137.5 | -47.5 | 0 | 0 | 0 | 0 | 120.6 | | |
| 374 | D | 32.8 | Very low | 38 | Very low | 157 Ų | 157 | 132.5 Ų | 132.5 | 84% | 0.84 | 74% | 0.736 | S | S | * | * | | | | -174.4 | 176.3 | 73.6 | -165.9 | 21.7 | 0 | 0 | 0 | 113.4 | | |
| 375 | E | 42.8 | Very low | 37.9 | Very low | 177 Ų | 177 | 132.6 Ų | 132.6 | 83% | 0.827 | 73% | 0.733 | S | S | * | * | | | trans | -56.1 | 138.2 | 170.6 | -173.9 | 84.5 | -172.7 | 0 | 0 | 113.3 | | |
| 376 | G | 33.1 | Very low | 38 | Very low | 75 Ų | 75 | 134.2 Ų | 134.2 | 77% | 0.773 | 74% | 0.735 | S | S | * | * | | | trans | -148.7 | 52.4 | -164.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 377 | N | 40.2 | Very low | 37.8 | Very low | 146 Ų | 146 | 134.9 Ų | 134.9 | 78% | 0.781 | 74% | 0.738 | S | S | * | * | | | trans | -60 | 150.5 | 171.4 | -179.2 | 10.9 | 0 | 0 | 0 | 113 | | |
| 378 | K | 41.2 | Very low | 37.7 | Very low | 169 Ų | 169 | 137 Ų | 137 | 74% | 0.735 | 75% | 0.745 | S | S | * | * | | | | 128 | 99.7 | 128.5 | -167.5 | 171.3 | 176.1 | -177 | 0 | 119.7 | | |
| 379 | V | 35.2 | Very low | 38.3 | Very low | 119 Ų | 119 | 133.8 Ų | 133.8 | 72% | 0.721 | 74% | 0.739 | S | S | * | * | | | trans | 68.3 | 151.9 | 132.9 | 172.8 | 0 | 0 | 0 | 0 | 119.8 | | |
| 380 | N | 36.8 | Very low | 38.2 | Very low | 143 Ų | 143 | 136 Ų | 136 | 77% | 0.765 | 74% | 0.742 | S | S | * | * | | | trans | 91.5 | 146.3 | 163.2 | 106.8 | 84.2 | 0 | 0 | 0 | 116.9 | | |
| 381 | S | 37.8 | Very low | 37.8 | Very low | 97 Ų | 97 | 134.6 Ų | 134.6 | 68% | 0.678 | 74% | 0.739 | S | S | * | * | | | cis | -164.3 | 167.2 | -23 | 45.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 382 | N | 37.4 | Very low | 38.1 | Very low | 150 Ų | 150 | 134.2 Ų | 134.2 | 80% | 0.802 | 74% | 0.74 | S | S | * | * | | | trans | -40.3 | 154.4 | 173.8 | -38.4 | -8.8 | 0 | 0 | 0 | 115.2 | | |
| 383 | V | 39.9 | Very low | 38.5 | Very low | 131 Ų | 131 | 136.9 Ų | 136.9 | 79% | 0.794 | 74% | 0.741 | S | S | * | * | | | trans | -177.7 | 125.1 | 130.6 | 136.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 384 | V | 35.6 | Very low | 38.8 | Very low | 115 Ų | 115 | 136 Ų | 136 | 70% | 0.697 | 74% | 0.736 | S | S | * | * | | | trans | 52.3 | 145.4 | 135 | 175.9 | 0 | 0 | 0 | 0 | 120.2 | | |
| 385 | E | 41.6 | Very low | 39.3 | Very low | 145 Ų | 145 | 133.3 Ų | 133.3 | 68% | 0.678 | 74% | 0.736 | S | S | * | * | | | cis | -176.5 | 177.3 | -19.2 | -94 | -170 | 152.8 | 0 | 0 | 105.9 | | |
| 386 | K | 41.9 | Very low | 39.6 | Very low | 148 Ų | 148 | 132.9 Ų | 132.9 | 64% | 0.643 | 74% | 0.737 | S | S | * | * | | | trans | 90.6 | 137.4 | 137.1 | -87.3 | 154.1 | 169.6 | -80.2 | 0 | 123.5 | | |
| 387 | E | 38.7 | Very low | 40.3 | Very low | 158 Ų | 158 | 136.5 Ų | 136.5 | 74% | 0.738 | 74% | 0.737 | S | S | * | * | | | trans | 86.8 | 82.9 | 137.3 | -75.7 | 157 | -152 | 0 | 0 | 121.2 | | |
| 388 | E | 35.7 | Very low | 40.1 | Very low | 167 Ų | 167 | 135.7 Ų | 135.7 | 78% | 0.78 | 74% | 0.741 | S | S | * | * | | | | -37.9 | 161.8 | 126.9 | -124.3 | -148.9 | 100 | 0 | 0 | 112.8 | | |
| 389 | P | 50.9 | Low | 40.3 | Very low | 101 Ų | 101 | 132.9 Ų | 132.9 | 66% | 0.656 | 74% | 0.743 | S | S | * | * | | | | -153.5 | -174 | 56.2 | 33.3 | -7.4 | 0 | 0 | 0 | 118.7 | | |
| 390 | L | 35.7 | Very low | 40.3 | Very low | 141 Ų | 141 | 135.1 Ų | 135.1 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | | | trans | 90.1 | 147 | 155.6 | -55.2 | -174.4 | 0 | 0 | 0 | 118.5 | | |
| 391 | E | 34.2 | Very low | 40.9 | Very low | 143 Ų | 143 | 135.7 Ų | 135.7 | 67% | 0.668 | 75% | 0.754 | S | S | * | * | | | cis | -174.6 | 150.9 | -15.2 | 173.1 | 60.9 | -92 | 0 | 0 | 109.8 | | |
| 392 | T | 39.4 | Very low | 41.4 | Very low | 107 Ų | 107 | 136.8 Ų | 136.8 | 66% | 0.656 | 76% | 0.758 | S | S | * | * | | | trans | 59.3 | 143.3 | 169.4 | 49.5 | 0 | 0 | 0 | 0 | 119.3 | | |
| 393 | H | 44.9 | Very low | 42 | Very low | 161 Ų | 161 | 135.3 Ų | 135.3 | 75% | 0.745 | 76% | 0.757 | S | S | * | * | | | cis | -171.4 | 172.6 | 1.6 | 48.3 | -52.9 | 0 | 0 | 0 | 111.9 | | |
| 394 | S | 39.1 | Very low | 41.9 | Very low | 105 Ų | 105 | 138 Ų | 138 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | | | trans | 88.4 | 91 | 161.9 | -51.2 | 0 | 0 | 0 | 0 | 117.9 | | |
| 395 | A | 43.9 | Very low | 42.1 | Very low | 101 Ų | 101 | 139.3 Ų | 139.3 | 84% | 0.835 | 76% | 0.764 | S | S | * | * | | | trans | -100.3 | 139 | 157.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 396 | I | 48.4 | Very low | 42.1 | Very low | 168 Ų | 168 | 138.7 Ų | 138.7 | 86% | 0.862 | 77% | 0.77 | S | S | * | * | | | trans | -132.6 | 137.7 | 165.6 | -58.1 | -178.5 | 0 | 0 | 0 | 107.9 | | |
| 397 | I | 47.8 | Very low | 42.1 | Very low | 152 Ų | 152 | 137.6 Ų | 137.6 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | | | trans | -98.7 | 137 | -176.8 | -63.7 | 161.7 | 0 | 0 | 0 | 109.3 | | |
| 398 | C | 34.8 | Very low | 42.7 | Very low | 128 Ų | 128 | 138.9 Ų | 138.9 | 87% | 0.865 | 78% | 0.779 | S | S | * | * | | | trans | -166.3 | 141 | 136.5 | -105.5 | 0 | 0 | 0 | 0 | 111 | | |
| 399 | S | 45.4 | Very low | 42.6 | Very low | 111 Ų | 111 | 139 Ų | 139 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | | | trans | -98 | 148.3 | 165.4 | -50 | 0 | 0 | 0 | 0 | 108.9 | | |
| 400 | D | 36.9 | Very low | 41.8 | Very low | 165 Ų | 165 | 138.2 Ų | 138.2 | 88% | 0.882 | 79% | 0.786 | S | S | * | * | | | trans | -160.4 | 154.3 | 139 | -124.4 | -24.3 | 0 | 0 | 0 | 112.3 | | |
| 401 | L | 48.6 | Very low | 42 | Very low | 156 Ų | 156 | 140.1 Ų | 140.1 | 82% | 0.817 | 79% | 0.791 | S | S | * | * | | | trans | -120.2 | 131.3 | 172.9 | -81.5 | 166.7 | 0 | 0 | 0 | 109.1 | | |
| 402 | P | 47.7 | Very low | 42.3 | Very low | 119 Ų | 119 | 140.3 Ų | 140.3 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | | | trans | -81.1 | 148.1 | 166.8 | 32.6 | -31.5 | 0 | 0 | 0 | 111.3 | | |
| 403 | P | 50.4 | Low | 43.1 | Very low | 120 Ų | 120 | 139.9 Ų | 139.9 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | | | trans | -105.1 | 169 | -165 | 40.3 | -37.3 | 0 | 0 | 0 | 115.6 | | |
| 404 | E | 37.7 | Very low | 42.8 | Very low | 188 Ų | 188 | 140.3 Ų | 140.3 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | | | trans | -56.5 | 143.5 | 163.6 | -56.4 | 168.3 | 90.5 | 0 | 0 | 112.3 | | |
| 405 | N | 40.3 | Very low | 42.6 | Very low | 141 Ų | 141 | 139.5 Ų | 139.5 | 75% | 0.754 | 80% | 0.801 | S | S | * | * | | | trans | -121.2 | 97.5 | 167.6 | 68.5 | -35.3 | 0 | 0 | 0 | 112.9 | T407 | N405-T407 PolarHBondContact O-N 3.38Š|
| 406 | T | 42.6 | Very low | 42.4 | Very low | 133 Ų | 133 | 143 Ų | 143 | 82% | 0.816 | 80% | 0.8 | S | S | * | * | | | trans | -61.6 | 133.6 | 171.4 | 58.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 407 | T | 41.2 | Very low | 42.2 | Very low | 124 Ų | 124 | 141 Ų | 141 | 76% | 0.761 | 80% | 0.798 | S | S | * | * | | | trans | -124.8 | 127.8 | 168.1 | -52 | 0 | 0 | 0 | 0 | 109.6 | N405 | N405-T407 PolarHBondContact O-N 3.38Š|
| 408 | K | 50.2 | Low | 42 | Very low | 185 Ų | 185 | 137.4 Ų | 137.4 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | | | trans | -145.7 | 169.3 | 174.5 | -67.4 | -170.1 | 177.7 | -173.7 | 0 | 107.9 | | |
| 409 | I | 35.3 | Very low | 42.3 | Very low | 169 Ų | 169 | 138.2 Ų | 138.2 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | | | trans | 79.8 | 127.2 | 178.2 | -52.2 | 166.9 | 0 | 0 | 0 | 111.9 | | |
| 410 | A | 33 | Very low | 42.1 | Very low | 86 Ų | 86 | 140.9 Ų | 140.9 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | | | cis | -162.9 | 178.5 | -13.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 411 | E | 40.8 | Very low | 42.4 | Very low | 181 Ų | 181 | 142.3 Ų | 142.3 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | | | trans | -56.7 | 167.6 | 166.4 | -61.5 | 142.7 | 143.9 | 0 | 0 | 111.5 | | |
| 412 | D | 39.1 | Very low | 42.3 | Very low | 147 Ų | 147 | 143.8 Ų | 143.8 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | | | cis | -161.4 | -159.6 | 40.7 | -151.6 | 14.9 | 0 | 0 | 0 | 110.7 | | |
| 413 | P | 56.8 | Low | 42.3 | Very low | 97 Ų | 97 | 142.4 Ų | 142.4 | 63% | 0.63 | 79% | 0.789 | S | S | * | * | | | | -131.5 | 148.6 | -121.8 | 40.8 | -21 | 0 | 0 | 0 | 117.1 | | |
| 414 | I | 39 | Very low | 42.1 | Very low | 170 Ų | 170 | 144.8 Ų | 144.8 | 87% | 0.872 | 79% | 0.793 | S | S | * | * | | | trans | -147.9 | 121.2 | 162.6 | -29.8 | 173.4 | 0 | 0 | 0 | 114 | | |
| 415 | A | 34.7 | Very low | 42.6 | Very low | 89 Ų | 89 | 140.6 Ų | 140.6 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | | | trans | 48.5 | 117.8 | 151.8 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 416 | E | 40.5 | Very low | 42.6 | Very low | 174 Ų | 174 | 139.7 Ų | 139.7 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | | | | -6.7 | 145.8 | 126.8 | -104.3 | 175.3 | -159.8 | 0 | 0 | 117.8 | | |
| 417 | P | 44.2 | Very low | 42.8 | Very low | 126 Ų | 126 | 138.1 Ų | 138.1 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | | -126.7 | 151.3 | 67 | 38.8 | -31.3 | 0 | 0 | 0 | 115.8 | | |
| 418 | A | 42.2 | Very low | 43.2 | Very low | 76 Ų | 76 | 140.8 Ų | 140.8 | 63% | 0.628 | 79% | 0.79 | S | S | * | * | | | trans | -82.4 | 150.8 | 159.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 419 | L | 41.6 | Very low | 43.1 | Very low | 146 Ų | 146 | 141.4 Ų | 141.4 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | | | | -159.9 | 137 | 128.3 | -85.6 | -163.1 | 0 | 0 | 0 | 110.5 | | |
| 420 | E | 41.3 | Very low | 43.9 | Very low | 166 Ų | 166 | 138.8 Ų | 138.8 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | | | trans | 53 | 95.2 | 145 | -65.6 | 165.2 | 155.2 | 0 | 0 | 118.9 | | |
| 421 | E | 44 | Very low | 44.4 | Very low | 196 Ų | 196 | 142.1 Ų | 142.1 | 92% | 0.916 | 79% | 0.794 | S | S | * | * | | | trans | -81.1 | 115.1 | 156.5 | -61.6 | -170.8 | 147.1 | 0 | 0 | 109.8 | A423 | E421-A423 PolarHBondContact O-N 3.49Å; E421-A423 VanDerWaalsContact O-N 3.09Å |
| 422 | E | 46.1 | Very low | 44.7 | Very low | 186 Ų | 186 | 140.9 Ų | 140.9 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | | | trans | -79.8 | 88.5 | 174.9 | -71.9 | -157.9 | 117.5 | 0 | 0 | 111.6 | I424 | E422-I424 PolarHBondContact O-N 3.03Å; E422-I424 VanDerWaalsContact O-N 3.12Å |
| 423 | A | 46.7 | Very low | 44.9 | Very low | 90 Ų | 90 | 138.5 Ų | 138.5 | 74% | 0.744 | 78% | 0.782 | S | S | * | * | | | trans | -71.8 | 99.6 | 171 | 0 | 0 | 0 | 0 | 0 | 111.2 | E421 S425 | E421-A423 PolarHBondContact O-N 3.49Å; E421-A423 VanDerWaalsContact O-N 3.09Å; A423-S425 PolarHBondContact O-N 3.29Å |
| 424 | I | 46.3 | Very low | 44.4 | Very low | 170 Ų | 170 | 143.2 Ų | 143.2 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | | | trans | -72.2 | 60.4 | 172.2 | 52 | 168.2 | 0 | 0 | 0 | 112.8 | E422 S426 | E422-I424 PolarHBondContact O-N 3.03Å; E422-I424 VanDerWaalsContact O-N 3.12Å; I424-S426 PolarHBondContact O-N 2.98Å |
| 425 | S | 47.9 | Very low | 44.9 | Very low | 100 Ų | 100 | 144.3 Ų | 144.3 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | | | trans | -89.7 | 89.4 | 175.4 | -166.1 | 0 | 0 | 0 | 0 | 110.6 | A423 S427 | A423-S425 PolarHBondContact O-N 3.29Å; S425-S427 PolarHBondContact O-N 3.48Å |
| 426 | S | 40.8 | Very low | 45.2 | Very low | 123 Ų | 123 | 147.3 Ų | 147.3 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | | | trans | -79 | 99.2 | 175.6 | -169.2 | 0 | 0 | 0 | 0 | 110.6 | I424 | I424-S426 PolarHBondContact O-N 2.98Š|
| 427 | S | 47.6 | Very low | 45.3 | Very low | 100 Ų | 100 | 145.2 Ų | 145.2 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 126.7 | 170.8 | -62.8 | 0 | 0 | 0 | 0 | 110 | S425 | S425-S427 PolarHBondContact O-N 3.48Š|
| 428 | M | 48.5 | Very low | 44.9 | Very low | 179 Ų | 179 | 146.7 Ų | 146.7 | 88% | 0.882 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -72 | 141 | 165.4 | -75.9 | -161.6 | 70.9 | 0 | 0 | 110.5 | | |
| 429 | E | 49.4 | Very low | 44.9 | Very low | 199 Ų | 199 | 152.8 Ų | 152.8 | 93% | 0.93 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 142.5 | -178.7 | -61.4 | -175.2 | 96.5 | 0 | 0 | 111.7 | | |
| 430 | V | 52.2 | Low | 44.7 | Very low | 114 Ų | 114 | 150.8 Ų | 150.8 | 69% | 0.691 | 80% | 0.795 | S | S | * | * | | | trans | -110.5 | 103.7 | 174.8 | 51.9 | 0 | 0 | 0 | 0 | 109.2 | Q432 | V430-Q432 HydrophobicContact CG2-CG 4.09Å; V430-Q432 PolarHBondContact O-N 3.36Å |
| 431 | D | 42.4 | Very low | 45.1 | Very low | 156 Ų | 156 | 148.6 Ų | 148.6 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | | | trans | -74.6 | 116.2 | 172.7 | -165.8 | -63.6 | 0 | 0 | 0 | 109.7 | S433 | D431-S433 PolarHBondContact OD1-N 3.19Š|
| 432 | Q | 48.1 | Very low | 44.6 | Very low | 155 Ų | 155 | 144.2 Ų | 144.2 | 72% | 0.724 | 79% | 0.792 | S | S | * | * | | | trans | -134 | 84.6 | 170.5 | -79.5 | -173.8 | 37.9 | 0 | 0 | 110.9 | V430 E434 | V430-Q432 HydrophobicContact CG2-CG 4.09Å; V430-Q432 PolarHBondContact O-N 3.36Å; Q432-E434 PolarHBondContact O-N 3.11Å |
| 433 | S | 42 | Very low | 44.1 | Very low | 96 Ų | 96 | 144.2 Ų | 144.2 | 67% | 0.671 | 79% | 0.792 | S | S | * | * | | | trans | 43 | 72.8 | 131.8 | 65 | 0 | 0 | 0 | 0 | 116.7 | D431 | D431-S433 PolarHBondContact OD1-N 3.19Š|
| 434 | E | 47.9 | Very low | 44.6 | Very low | 196 Ų | 196 | 144.5 Ų | 144.5 | 92% | 0.916 | 79% | 0.787 | S | S | * | * | | | trans | -72.4 | 134.5 | 165.9 | -166.5 | 165.2 | 122.6 | 0 | 0 | 110.7 | Q432 | Q432-E434 PolarHBondContact O-N 3.11Š|
| 435 | K | 48.2 | Very low | 44 | Very low | 193 Ų | 193 | 143 Ų | 143 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | | | trans | -125.6 | 88.1 | -169.4 | 177.6 | -163.5 | 174 | -174.3 | 0 | 109 | | |
| 436 | D | 42.2 | Very low | 43.2 | Very low | 153 Ų | 153 | 142.4 Ų | 142.4 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -95.4 | 150.2 | 174.1 | -165.9 | -129.9 | 0 | 0 | 0 | 112.2 | | |
| 437 | E | 41.4 | Very low | 42.9 | Very low | 129 Ų | 129 | 141.5 Ų | 141.5 | 60% | 0.603 | 79% | 0.786 | S | S | * | * | | | trans | -121.2 | 151.3 | -166.1 | -152.1 | -173.9 | 130.1 | 0 | 0 | 113 | | |
| 438 | H | 36.7 | Very low | 42.5 | Very low | 157 Ų | 157 | 142.9 Ų | 142.9 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | | | trans | 72.3 | 128.8 | 178.8 | -27.7 | -60.9 | 0 | 0 | 0 | 113.4 | | |
| 439 | K | 41.7 | Very low | 41.9 | Very low | 204 Ų | 204 | 138.6 Ų | 138.6 | 89% | 0.887 | 78% | 0.778 | S | S | * | * | | | | -168 | 129.9 | 60.3 | -172.6 | 158.8 | -174.9 | 166.6 | 0 | 113.1 | | |
| 440 | S | 37.9 | Very low | 41.2 | Very low | 104 Ų | 104 | 138 Ų | 138 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | | | trans | -76.6 | 161.6 | 167.7 | 67.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 441 | P | 50.1 | Low | 40.5 | Very low | 121 Ų | 121 | 139.5 Ų | 139.5 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | | | cis | -147.9 | 157.6 | 49.3 | 41.2 | -21.8 | 0 | 0 | 0 | 118.7 | | |
| 442 | A | 32 | Very low | 41.3 | Very low | 104 Ų | 104 | 136.9 Ų | 136.9 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | | | | 179.2 | 124.4 | 129.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 443 | E | 37 | Very low | 40.8 | Very low | 185 Ų | 185 | 133.2 Ų | 133.2 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | | | trans | -84 | 176.6 | 163.3 | -103.2 | -168.7 | 126 | 0 | 0 | 111.3 | | |
| 444 | P | 55.7 | Low | 41 | Very low | 97 Ų | 97 | 136.2 Ų | 136.2 | 63% | 0.63 | 77% | 0.77 | S | S | * | * | | | cis | -138 | -156 | -22.4 | 34.2 | -12.4 | 0 | 0 | 0 | 112.8 | | |
| 445 | V | 33.5 | Very low | 40.5 | Very low | 137 Ų | 137 | 135 Ų | 135 | 83% | 0.83 | 76% | 0.764 | S | S | * | * | | | trans | 96 | 144.6 | 160.9 | -38.9 | 0 | 0 | 0 | 0 | 119 | | |
| 446 | A | 32 | Very low | 40 | Very low | 88 Ų | 88 | 131.1 Ų | 131.1 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | | | cis | -172 | 137.7 | -33.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 447 | A | 34.5 | Very low | 40.5 | Very low | 104 Ų | 104 | 130.7 Ų | 130.7 | 86% | 0.86 | 74% | 0.744 | S | S | * | * | | | trans | 63.8 | 166.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 448 | V | 39.3 | Very low | 41 | Very low | 129 Ų | 129 | 132.6 Ų | 132.6 | 78% | 0.782 | 75% | 0.753 | S | S | * | * | | | cis | -143.2 | 178.5 | 6.5 | 74.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 449 | S | 35.8 | Very low | 41.9 | Very low | 90 Ų | 90 | 132.9 Ų | 132.9 | 63% | 0.629 | 76% | 0.759 | S | S | * | * | | | trans | -53 | 172.5 | 172.2 | -33.9 | 0 | 0 | 0 | 0 | 113.6 | | |
| 450 | E | 35 | Very low | 42 | Very low | 187 Ų | 187 | 129.3 Ų | 129.3 | 87% | 0.874 | 76% | 0.755 | S | S | * | * | | | cis | -160.8 | 168.6 | 45.3 | -132.3 | 152.2 | 136.9 | 0 | 0 | 113.8 | | |
| 451 | D | 36.5 | Very low | 43.1 | Very low | 144 Ų | 144 | 130.6 Ų | 130.6 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | | | trans | -133.1 | 163.8 | -179.6 | -175.8 | 49.6 | 0 | 0 | 0 | 104.6 | | |
| 452 | P | 60.4 | Low | 43.2 | Very low | 102 Ų | 102 | 130.7 Ų | 130.7 | 66% | 0.662 | 76% | 0.756 | S | S | * | * | | | cis | -137.1 | -162.6 | 8.4 | 30.1 | -4.4 | 0 | 0 | 0 | 115.2 | | |
| 453 | A | 36.2 | Very low | 44.1 | Very low | 77 Ų | 77 | 131.8 Ų | 131.8 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | | | trans | 93.2 | 146.4 | 138.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 454 | E | 47.1 | Very low | 44.7 | Very low | 160 Ų | 160 | 129.2 Ų | 129.2 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | | | cis | -135.1 | 169.8 | 1.4 | -81.8 | -60.2 | 177.3 | 0 | 0 | 110.9 | | |
| 455 | E | 37.2 | Very low | 44.6 | Very low | 170 Ų | 170 | 131.6 Ų | 131.6 | 79% | 0.794 | 75% | 0.753 | S | S | * | * | | | trans | 48.7 | 137.3 | 143.7 | -73 | 174.3 | 168.8 | 0 | 0 | 120.6 | | |
| 456 | D | 38.3 | Very low | 45.7 | Very low | 111 Ų | 111 | 131.5 Ų | 131.5 | 59% | 0.594 | 75% | 0.748 | S | S | * | * | | | cis | -155.6 | -167.1 | 5.6 | -149.5 | -10.7 | 0 | 0 | 0 | 111.8 | | |
| 457 | K | 52.2 | Low | 46.7 | Very low | 145 Ų | 145 | 132.9 Ų | 132.9 | 63% | 0.63 | 75% | 0.752 | S | S | * | * | | | trans | -58.5 | 166.4 | 175.2 | -25.7 | 98.9 | -178.4 | 130.1 | 0 | 113.2 | | |
| 458 | E | 52.9 | Low | 47.8 | Very low | 169 Ų | 169 | 134.3 Ų | 134.3 | 79% | 0.79 | 74% | 0.742 | S | S | * | * | | | cis | -148.3 | 141.3 | 9 | 36.8 | -95.4 | 137.9 | 0 | 0 | 114.3 | | |
| 459 | D | 55.3 | Low | 49 | Very low | 162 Ų | 162 | 134 Ų | 134 | 87% | 0.866 | 73% | 0.732 | S | S | * | * | | | trans | -79.1 | 124.3 | 154.8 | -75.4 | -69.2 | 0 | 0 | 0 | 110.2 | | |
| 460 | T | 43.8 | Very low | 50.2 | Low | 129 Ų | 129 | 134.1 Ų | 134.1 | 79% | 0.791 | 73% | 0.73 | S | S | * | * | | | | -167.4 | 111.9 | 125.8 | 47.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 461 | V | 60.8 | Low | 51.6 | Low | 132 Ų | 132 | 130.8 Ų | 130.8 | 80% | 0.8 | 72% | 0.718 | S | S | * | * | | | trans | 41.1 | 100.1 | 131.4 | -170.7 | 0 | 0 | 0 | 0 | 117.6 | | |
| 462 | V | 52.2 | Low | 53.4 | Low | 123 Ų | 123 | 130.1 Ų | 130.1 | 75% | 0.745 | 71% | 0.71 | S | S | * | * | | | | -169.1 | 172.8 | 105.7 | -86.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 463 | D | 50.4 | Low | 54.1 | Low | 126 Ų | 126 | 128.8 Ų | 128.8 | 67% | 0.674 | 70% | 0.697 | S | S | * | * | | | trans | 73.2 | 89.2 | 154.2 | -69.3 | -59.4 | 0 | 0 | 0 | 120.9 | | |
| 464 | N | 49.8 | Very low | 56 | Low | 131 Ų | 131 | 130 Ų | 130 | 70% | 0.701 | 69% | 0.691 | S | S | * | * | | | | 95.3 | 133.8 | 122.5 | -56.5 | -33.8 | 0 | 0 | 0 | 121.7 | D466 | N464-D466 PolarHBondContact O-N 2.94Š|
| 465 | T | 53.4 | Low | 57.4 | Low | 147 Ų | 147 | 125.2 Ų | 125.2 | 90% | 0.902 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -94.2 | 55.4 | -172.8 | 52.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 466 | D | 56.2 | Low | 59.2 | Low | 135 Ų | 135 | 121.9 Ų | 121.9 | 72% | 0.722 | 66% | 0.661 | S | S | * | * | | | trans | -153.3 | 35.3 | 167.8 | -149.4 | 14.8 | 0 | 0 | 0 | 114.3 | N464 M468 | N464-D466 PolarHBondContact O-N 2.94Å; D466-M468 VanDerWaalsContact C-N 3.31Å; D466-M468 PolarHBondContact O-N 2.85Å |
| 467 | S | 54.1 | Low | 60.8 | Low | 118 Ų | 118 | 121.9 Ų | 121.9 | 83% | 0.825 | 66% | 0.66 | S | S | * | * | | | trans | -78.8 | 79.2 | 171.5 | -76.9 | 0 | 0 | 0 | 0 | 111.1 | E469 | S467-E469 PolarHBondContact O-N 3.03Š|
| 468 | M | 57.7 | Low | 62 | Low | 133 Ų | 133 | 122 Ų | 122 | 66% | 0.655 | 66% | 0.663 | S | S | * | * | | | trans | -70.1 | 85.5 | 158.2 | 51 | -137.5 | -56.6 | 0 | 0 | 110.5 | D466 T470 I473 | D466-M468 VanDerWaalsContact C-N 3.31Å; D466-M468 PolarHBondContact O-N 2.85Å; M468-T470 PolarHBondContact O-N 3.34Å; M468-I473 WeakPolarHBondContact O-CD1 3.46Å |
| 469 | E | 63.1 | Low | 62.9 | Low | 122 Ų | 122 | 122.5 Ų | 122.5 | 57% | 0.57 | 66% | 0.663 | S | S | * | * | | | trans | 18.9 | 90 | 146.8 | -167.9 | 161.1 | 29.4 | 0 | 0 | 115.1 | S467 D471 E472 | S467-E469 PolarHBondContact O-N 3.03Å; E469-D471 HydrophobicContact CG-CB 4.24Å; E469-D471 PolarHBondContact O-N 3.15Å; E469-E472 HydrophobicContact CG-CG 4.17Å; E469-E472 PolarHBondContact O-N 3.37Å |
| 470 | T | 61.7 | Low | 63.6 | Low | 93 Ų | 93 | 121 Ų | 121 | 57% | 0.571 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -55.6 | -24.2 | 177.8 | 47.6 | 0 | 0 | 0 | 0 | 113.2 | M468 E472 I473 I474 | M468-T470 PolarHBondContact O-N 3.34Å; T470-E472 VanDerWaalsContact C-N 3.33Å; T470-E472 PolarHBondContact O-N 2.93Å; T470-I473 PolarHBondContact O-N 3Å; T470-I474 WeakPolarHBondContact O-CG1 3.34Å; T470-I474 PolarHBondContact O-N 2.87Å |
| 471 | D | 63.8 | Low | 64.7 | Low | 117 Ų | 117 | 117.7 Ų | 117.7 | 63% | 0.626 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -75.1 | -19.7 | -176.5 | -64 | 4.9 | 0 | 0 | 0 | 112.5 | E469 P475 | E469-D471 HydrophobicContact CG-CB 4.24Å; E469-D471 PolarHBondContact O-N 3.15Å; D471-P475 WeakPolarHBondContact O-CD 3.45Å; D471-P475 WeakPolarHBondContact O-CG 3.35Å |
| 472 | E | 75.5 | Confident | 64.9 | Low | 131 Ų | 131 | 117.3 Ų | 117.3 | 61% | 0.612 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -84 | -32.7 | 165.2 | -69.6 | -151 | 141.8 | 0 | 0 | 112.3 | E469 T470 P475 I476 | E469-E472 HydrophobicContact CG-CG 4.17Å; E469-E472 PolarHBondContact O-N 3.37Å; T470-E472 VanDerWaalsContact C-N 3.33Å; T470-E472 PolarHBondContact O-N 2.93Å; E472-P475 WeakPolarHBondContact O-CD 3.43Å; E472-I476 WeakPolarHBondContact O-CD1 3.38Å; E472-I476 WeakPolarHBondContact O-CG1 3.34Å |
| 473 | I | 73.9 | Confident | 65.4 | Low | 73 Ų | 73 | 117.4 Ų | 117.4 | 37% | 0.374 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -70.5 | -41.9 | -177.4 | -57.9 | 176.3 | 0 | 0 | 0 | 111.3 | M468 T470 I476 L477 | M468-I473 WeakPolarHBondContact O-CD1 3.46Å; T470-I473 PolarHBondContact O-N 3Å; I473-I476 PolarHBondContact O-N 3.37Å; I473-I476 VanDerWaalsContact O-N 3.15Å; I473-L477 HydrophobicContact CG2-CD1 3.93Å; I473-L477 HydrophobicContact CG2-CG 4.22Å; I473-L477 WeakPolarHBondContact O-CG 3.48Å; I473-L477 PolarHBondContact O-N 3.2Å |
| 474 | I | 77.8 | Confident | 65.9 | Low | 103 Ų | 103 | 120.2 Ų | 120.2 | 53% | 0.528 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -59.3 | -49 | -177 | -70.6 | 162.2 | 0 | 0 | 0 | 112.4 | T470 I476 L477 E478 | T470-I474 WeakPolarHBondContact O-CG1 3.34Å; T470-I474 PolarHBondContact O-N 2.87Å; I474-I476 VanDerWaalsContact C-N 3.28Å; I474-I476 PolarHBondContact O-N 3.45Å; I474-L477 PolarHBondContact O-N 3.18Å; I474-E478 PolarHBondContact O-N 2.93Å |
| 475 | P | 75.3 | Confident | 66.3 | Low | 60 Ų | 60 | 120.4 Ų | 120.4 | 39% | 0.39 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -62.2 | -29 | 174.5 | -25.6 | 35 | 0 | 0 | 0 | 114.8 | D471 E472 K479 | D471-P475 WeakPolarHBondContact O-CD 3.45Å; D471-P475 WeakPolarHBondContact O-CG 3.35Å; E472-P475 WeakPolarHBondContact O-CD 3.43Å; P475-K479 WeakPolarHBondContact O-CB 3.18Å; P475-K479 VanDerWaalsContact O-CG 3.32Å; P475-K479 WeakPolarHBondContact O-CG 3.25Å; P475-K479 PolarHBondContact O-N 2.95Å |
| 476 | I | 76.1 | Confident | 66.7 | Low | 100 Ų | 100 | 121.7 Ų | 121.7 | 51% | 0.513 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -70.3 | -44 | 175.4 | -65.8 | 168.2 | 0 | 0 | 0 | 109.8 | E472 I473 I474 K479 L480 | E472-I476 WeakPolarHBondContact O-CD1 3.38Å; E472-I476 WeakPolarHBondContact O-CG1 3.34Å; I473-I476 PolarHBondContact O-N 3.37Å; I473-I476 VanDerWaalsContact O-N 3.15Å; I474-I476 VanDerWaalsContact C-N 3.28Å; I474-I476 PolarHBondContact O-N 3.45Å; I476-K479 PolarHBondContact O-N 3.12Å; I476-L480 HydrophobicContact CG2-CD1 3.97Å; I476-L480 WeakPolarHBondContact O-CG 3.26Å; I476-L480 PolarHBondContact O-N 2.93Å; I476-L480 VanDerWaalsContact O-N 3.14Å |
| 477 | L | 71.8 | Confident | 66.7 | Low | 110 Ų | 110 | 122.6 Ų | 122.6 | 58% | 0.576 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -66.4 | -41.1 | 176.6 | -66.1 | 176 | 0 | 0 | 0 | 112.3 | I473 I474 K479 L480 A481 | I473-L477 HydrophobicContact CG2-CD1 3.93Å; I473-L477 HydrophobicContact CG2-CG 4.22Å; I473-L477 WeakPolarHBondContact O-CG 3.48Å; I473-L477 PolarHBondContact O-N 3.2Å; I474-L477 PolarHBondContact O-N 3.18Å; L477-K479 VanDerWaalsContact C-N 3.27Å; L477-K479 PolarHBondContact O-N 3.46Å; L477-L480 PolarHBondContact O-N 3.42Å; L477-L480 VanDerWaalsContact O-N 3.14Å; L477-A481 PolarHBondContact O-N 3.02Å |
| 478 | E | 76.1 | Confident | 66.9 | Low | 149 Ų | 149 | 121.9 Ų | 121.9 | 70% | 0.696 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -58.4 | -39.1 | 174.5 | -173.9 | 178.9 | -164 | 0 | 0 | 111.7 | I474 L480 | I474-E478 PolarHBondContact O-N 2.93Å; E478-L480 VanDerWaalsContact C-N 3.35Å |
| 479 | K | 72.1 | Confident | 66.6 | Low | 179 Ų | 179 | 121 Ų | 121 | 78% | 0.778 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -80.5 | -10 | 178.4 | -71.5 | 177.1 | 65.5 | -173.4 | 0 | 115 | P475 I476 L477 | P475-K479 WeakPolarHBondContact O-CB 3.18Å; P475-K479 VanDerWaalsContact O-CG 3.32Å; P475-K479 WeakPolarHBondContact O-CG 3.25Å; P475-K479 PolarHBondContact O-N 2.95Å; I476-K479 PolarHBondContact O-N 3.12Å; L477-K479 VanDerWaalsContact C-N 3.27Å; L477-K479 PolarHBondContact O-N 3.46Å |
| 480 | L | 69.7 | Low | 65.9 | Low | 129 Ų | 129 | 124.2 Ų | 124.2 | 68% | 0.675 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -102.3 | -13 | 174.3 | -69.6 | 174.1 | 0 | 0 | 0 | 112.7 | I476 L477 E478 P482 | I476-L480 HydrophobicContact CG2-CD1 3.97Å; I476-L480 WeakPolarHBondContact O-CG 3.26Å; I476-L480 PolarHBondContact O-N 2.93Å; I476-L480 VanDerWaalsContact O-N 3.14Å; L477-L480 PolarHBondContact O-N 3.42Å; L477-L480 VanDerWaalsContact O-N 3.14Å; E478-L480 VanDerWaalsContact C-N 3.35Å; L480-P482 WeakPolarHBondContact O-CD 3.34Å |
| 481 | A | 68 | Low | 65.2 | Low | 61 Ų | 61 | 125.6 Ų | 125.6 | 50% | 0.504 | 68% | 0.677 | S | S | . | * | S | Bend | trans | -64.8 | 124 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | L477 T483 | L477-A481 PolarHBondContact O-N 3.02Å; A481-T483 PolarHBondContact O-N 3.38Å |
| 482 | P | 63.9 | Low | 64.3 | Low | 124 Ų | 124 | 129.7 Ų | 129.7 | 81% | 0.805 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -63 | 127 | 173 | -21.3 | 33.5 | 0 | 0 | 0 | 110.5 | L480 E484 | L480-P482 WeakPolarHBondContact O-CD 3.34Å; P482-E484 PolarHBondContact O-N 2.85Å |
| 483 | T | 63.3 | Low | 62.8 | Low | 124 Ų | 124 | 127.6 Ų | 127.6 | 76% | 0.761 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 118.3 | 173.4 | 48.7 | 0 | 0 | 0 | 0 | 109.8 | A481 D485 | A481-T483 PolarHBondContact O-N 3.38Å; T483-D485 PolarHBondContact O-N 3.24Å |
| 484 | E | 60.2 | Low | 61.3 | Low | 185 Ų | 185 | 128.8 Ų | 128.8 | 86% | 0.864 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -68.1 | 2.8 | -168.4 | 61 | 178.7 | 178.7 | 0 | 0 | 116.3 | P482 E486 | P482-E484 PolarHBondContact O-N 2.85Å; E484-E486 PolarHBondContact O-N 3.09Å |
| 485 | D | 58.3 | Low | 59.8 | Low | 136 Ų | 136 | 131.9 Ų | 131.9 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -71.5 | -30.4 | -167.6 | -158.2 | 36 | 0 | 0 | 0 | 114.2 | T483 L487 | T483-D485 PolarHBondContact O-N 3.24Å; D485-L487 VanDerWaalsContact C-N 3.33Å; D485-L487 PolarHBondContact O-N 3.07Å |
| 486 | E | 62 | Low | 58.6 | Low | 173 Ų | 173 | 135.5 Ų | 135.5 | 81% | 0.808 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -77.3 | -10.9 | -172.8 | -63.7 | -156 | 139.7 | 0 | 0 | 115 | E484 S488 | E484-E486 PolarHBondContact O-N 3.09Å; E486-S488 VanDerWaalsContact C-N 3.35Å |
| 487 | L | 56.7 | Low | 57.1 | Low | 155 Ų | 155 | 136.9 Ų | 136.9 | 81% | 0.812 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -87.2 | 1.8 | 179.4 | -63.9 | -176.6 | 0 | 0 | 0 | 114.3 | D485 C489 | D485-L487 VanDerWaalsContact C-N 3.33Å; D485-L487 PolarHBondContact O-N 3.07Å; L487-C489 PolarHBondContact O-N 3.31Å |
| 488 | S | 58 | Low | 55.5 | Low | 102 Ų | 102 | 137.9 Ų | 137.9 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -73.8 | -5.6 | 179.1 | -169 | 0 | 0 | 0 | 0 | 114.8 | E486 F490 | E486-S488 VanDerWaalsContact C-N 3.35Å; S488-F490 VanDerWaalsContact C-N 3.3Å; S488-F490 PolarHBondContact O-N 2.8Å |
| 489 | C | 51.8 | Low | 53.9 | Low | 116 Ų | 116 | 139.2 Ų | 139.2 | 78% | 0.784 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -79.8 | 5.5 | -171.8 | -74.8 | 0 | 0 | 0 | 0 | 116.2 | L487 | L487-C489 PolarHBondContact O-N 3.31Š|
| 490 | F | 48.4 | Very low | 52.6 | Low | 189 Ų | 189 | 136.9 Ų | 136.9 | 83% | 0.829 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -88.7 | 108.6 | 167.1 | -81.3 | -80.2 | 0 | 0 | 0 | 111.3 | S488 K492 | S488-F490 VanDerWaalsContact C-N 3.3Å; S488-F490 PolarHBondContact O-N 2.8Å; F490-K492 PolarHBondContact O-N 2.94Å |
| 491 | S | 46.7 | Very low | 51.3 | Low | 121 Ų | 121 | 135.9 Ų | 135.9 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | | | trans | -53.5 | 93.1 | 179 | -65.5 | 0 | 0 | 0 | 0 | 113.2 | A493 | S491-A493 VanDerWaalsContact C-N 3.31Å; S491-A493 PolarHBondContact O-N 2.7Å |
| 492 | K | 44.3 | Very low | 50.4 | Low | 203 Ų | 203 | 141.9 Ų | 141.9 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | | | trans | -73.1 | 80 | -178.9 | -162.8 | 170.7 | -171.7 | 170.8 | 0 | 110.8 | F490 S494 | F490-K492 PolarHBondContact O-N 2.94Å; K492-S494 PolarHBondContact O-N 2.97Å; K492-S494 VanDerWaalsContact O-N 3.09Å |
| 493 | A | 44 | Very low | 49.5 | Very low | 87 Ų | 87 | 142.9 Ų | 142.9 | 72% | 0.719 | 80% | 0.795 | S | S | * | * | | | trans | -56.3 | 113.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | S491 L495 | S491-A493 VanDerWaalsContact C-N 3.31Å; S491-A493 PolarHBondContact O-N 2.7Å; A493-L495 PolarHBondContact O-N 2.88Å |
| 494 | S | 42.3 | Very low | 48.8 | Very low | 99 Ų | 99 | 144.8 Ų | 144.8 | 69% | 0.692 | 80% | 0.799 | S | S | * | * | | | trans | -75 | 98.3 | -172.5 | -171.5 | 0 | 0 | 0 | 0 | 111.6 | K492 | K492-S494 PolarHBondContact O-N 2.97Å; K492-S494 VanDerWaalsContact O-N 3.09Å |
| 495 | L | 45.9 | Very low | 48.3 | Very low | 167 Ų | 167 | 143 Ų | 143 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | | | trans | -94.9 | 84.2 | 166.3 | -68.4 | -179.4 | 0 | 0 | 0 | 109.8 | A493 | A493-L495 PolarHBondContact O-N 2.88Š|
| 496 | L | 50.2 | Low | 48.1 | Very low | 137 Ų | 137 | 142.6 Ų | 142.6 | 72% | 0.717 | 79% | 0.789 | S | S | * | * | | | trans | -80.3 | 135.7 | 164.1 | -66.4 | 176.7 | 0 | 0 | 0 | 109.8 | V498 | L496-V498 PolarHBondContact O-N 3.16Š|
| 497 | P | 45.8 | Very low | 47.8 | Very low | 128 Ų | 128 | 143.2 Ų | 143.2 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | | | trans | -73.8 | 119.6 | 169.7 | 30.2 | -32 | 0 | 0 | 0 | 109.8 | | |
| 498 | V | 38.3 | Very low | 47.6 | Very low | 131 Ų | 131 | 144.3 Ų | 144.3 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | | | trans | -118.3 | 119 | 165.8 | 174.6 | 0 | 0 | 0 | 0 | 107.6 | L496 | L496-V498 PolarHBondContact O-N 3.16Š|
| 499 | E | 43 | Very low | 47.3 | Very low | 177 Ų | 177 | 148.1 Ų | 148.1 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | | | trans | -69.3 | 138.5 | 174.3 | -58.9 | 174 | 101.4 | 0 | 0 | 110.9 | | |
| 500 | T | 43.6 | Very low | 47 | Very low | 130 Ų | 130 | 145.8 Ų | 145.8 | 80% | 0.798 | 79% | 0.794 | S | S | * | * | | | | 154.3 | 152.3 | 128.7 | 43.7 | 0 | 0 | 0 | 0 | 112.4 | | |
| 501 | S | 42.7 | Very low | 47.2 | Very low | 108 Ų | 108 | 141.3 Ų | 141.3 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | | | trans | 58.4 | 116.5 | -178.4 | 40.4 | 0 | 0 | 0 | 0 | 115.5 | | |
| 502 | Q | 49.3 | Very low | 47.3 | Very low | 188 Ų | 188 | 145.3 Ų | 145.3 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | | | cis | 74.2 | 123.7 | 41.3 | -160.5 | -180 | 0.2 | 0 | 0 | 113.5 | | |
| 503 | D | 45 | Very low | 47.3 | Very low | 145 Ų | 145 | 139.4 Ų | 139.4 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | | | trans | 75.4 | 78.8 | 164.5 | -146.8 | 47.7 | 0 | 0 | 0 | 118.4 | | |
| 504 | L | 48.7 | Very low | 47.7 | Very low | 164 Ų | 164 | 140.6 Ų | 140.6 | 86% | 0.859 | 79% | 0.788 | S | S | * | * | | | | -156.1 | 123.7 | 127 | -138.3 | 137.8 | 0 | 0 | 0 | 114.6 | | |
| 505 | E | 49.9 | Very low | 48.1 | Very low | 146 Ų | 146 | 141.6 Ų | 141.6 | 68% | 0.682 | 79% | 0.793 | S | S | * | * | | | trans | -55.4 | 146.9 | 176.4 | 50.9 | -171.2 | 62.5 | 0 | 0 | 118.8 | | |
| 506 | D | 53.6 | Low | 48.4 | Very low | 128 Ų | 128 | 139 Ų | 139 | 68% | 0.684 | 79% | 0.788 | S | S | * | * | | | trans | 47.4 | 105.9 | 145.5 | -63.4 | -23.3 | 0 | 0 | 0 | 121.7 | | |
| 507 | K | 56.4 | Low | 48.6 | Very low | 186 Ų | 186 | 142.3 Ų | 142.3 | 81% | 0.809 | 80% | 0.797 | S | S | * | * | | | | -176.3 | 161.1 | 101 | -95.4 | 150 | -148.2 | 83.4 | 0 | 115.2 | | |
| 508 | M | 51.2 | Low | 48.6 | Very low | 178 Ų | 178 | 144.3 Ų | 144.3 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | | | trans | 81 | 61.1 | 165.7 | -148.1 | 153.3 | -73.6 | 0 | 0 | 117.4 | | |
| 509 | E | 52.8 | Low | 49.3 | Very low | 182 Ų | 182 | 146.1 Ų | 146.1 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | | | | -7.4 | 126.7 | 127.4 | -170 | 62.1 | -99.6 | 0 | 0 | 114.8 | | |
| 510 | G | 44 | Very low | 49.7 | Very low | 68 Ų | 68 | 142.3 Ų | 142.3 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | | | trans | -164.1 | 17.1 | -165.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 511 | S | 52.8 | Low | 50.2 | Low | 95 Ų | 95 | 141 Ų | 141 | 66% | 0.664 | 78% | 0.784 | S | S | * | * | | | trans | 38 | 89.3 | 162.3 | 178.3 | 0 | 0 | 0 | 0 | 118.7 | | |
| 512 | F | 50.5 | Low | 50.8 | Low | 205 Ų | 205 | 144.1 Ų | 144.1 | 90% | 0.899 | 79% | 0.787 | S | S | * | * | | | trans | -142.2 | 105.9 | 132.9 | -85.4 | -67.8 | 0 | 0 | 0 | 109.9 | S514 | F512-S514 PolarHBondContact O-N 3.35Š|
| 513 | G | 43.5 | Very low | 51.2 | Low | 78 Ų | 78 | 142.5 Ų | 142.5 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | trans | -67.6 | 114.7 | 174 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 514 | S | 52.8 | Low | 52 | Low | 112 Ų | 112 | 143 Ų | 143 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 131.4 | 171.5 | -65.5 | 0 | 0 | 0 | 0 | 109.4 | F512 S516 | F512-S514 PolarHBondContact O-N 3.35Å; S514-S516 PolarHBondContact O-N 3.03Å |
| 515 | P | 51 | Low | 52.7 | Low | 121 Ų | 121 | 140 Ų | 140 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 132.9 | 170.9 | 26.5 | -33 | 0 | 0 | 0 | 108.6 | K517 | P515-K517 PolarHBondContact O-N 3.36Š|
| 516 | S | 50.4 | Low | 53.2 | Low | 111 Ų | 111 | 143.2 Ų | 143.2 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -57 | 130.7 | -178.1 | -174.3 | 0 | 0 | 0 | 0 | 110.4 | S514 Q518 | S514-S516 PolarHBondContact O-N 3.03Å; S516-Q518 PolarHBondContact O-N 3.08Å |
| 517 | K | 54.7 | Low | 53.6 | Low | 207 Ų | 207 | 144.6 Ų | 144.6 | 90% | 0.9 | 79% | 0.79 | S | S | * | * | | | trans | -69.9 | 86.5 | 163.4 | -77.3 | -170.5 | 176.1 | -176.2 | 0 | 108.1 | P515 E519 | P515-K517 PolarHBondContact O-N 3.36Å; K517-E519 PolarHBondContact O-N 3.31Å; K517-E519 VanDerWaalsContact O-N 3.11Å |
| 518 | Q | 46.7 | Very low | 53.6 | Low | 170 Ų | 170 | 139.6 Ų | 139.6 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | | | trans | -64.3 | 111.7 | 166.4 | -173 | 168.5 | -67.5 | 0 | 0 | 108 | S516 S520 | S516-Q518 PolarHBondContact O-N 3.08Å; Q518-S520 VanDerWaalsContact C-N 3.26Å; Q518-S520 PolarHBondContact O-N 3.02Å |
| 519 | E | 52.4 | Low | 54.2 | Low | 169 Ų | 169 | 138.5 Ų | 138.5 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | | | trans | -67.3 | 83.8 | 173.1 | -178.1 | 179.7 | 74.2 | 0 | 0 | 109.2 | K517 S521 | K517-E519 PolarHBondContact O-N 3.31Å; K517-E519 VanDerWaalsContact O-N 3.11Å; E519-S521 PolarHBondContact O-N 2.83Å |
| 520 | S | 51.6 | Low | 54.7 | Low | 97 Ų | 97 | 137 Ų | 137 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | | | trans | -74.9 | 73.5 | 169.8 | 60.3 | 0 | 0 | 0 | 0 | 109.5 | Q518 E522 | Q518-S520 VanDerWaalsContact C-N 3.26Å; Q518-S520 PolarHBondContact O-N 3.02Å; S520-E522 PolarHBondContact O-N 3.09Å |
| 521 | S | 53.3 | Low | 55.7 | Low | 102 Ų | 102 | 139 Ų | 139 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | | | trans | -74.5 | 61.6 | 172.8 | 49.8 | 0 | 0 | 0 | 0 | 111 | E519 | E519-S521 PolarHBondContact O-N 2.83Š|
| 522 | E | 55.9 | Low | 55.9 | Low | 175 Ų | 175 | 140.9 Ų | 140.9 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | | | trans | -115.7 | 141.8 | -179.6 | -167.5 | 154.7 | -164.5 | 0 | 0 | 111.7 | S520 L524 | S520-E522 PolarHBondContact O-N 3.09Å; E522-L524 PolarHBondContact O-N 3.08Å; E522-L524 VanDerWaalsContact O-N 3.08Å |
| 523 | N | 57.1 | Low | 56.4 | Low | 154 Ų | 154 | 134.8 Ų | 134.8 | 82% | 0.824 | 75% | 0.754 | S | S | * | * | | | trans | -76.8 | 100 | -158.7 | -70.3 | -6.3 | 0 | 0 | 0 | 113 | P525 | N523-P525 WeakPolarHBondContact O-CD 3.33Š|
| 524 | L | 62.5 | Low | 56.8 | Low | 156 Ų | 156 | 138.6 Ų | 138.6 | 82% | 0.817 | 76% | 0.756 | S | S | * | * | | | trans | -62 | 124.3 | 153.2 | -65.8 | 178.6 | 0 | 0 | 0 | 108.8 | E522 K526 | E522-L524 PolarHBondContact O-N 3.08Å; E522-L524 VanDerWaalsContact O-N 3.08Å; L524-K526 PolarHBondContact O-N 3.2Å |
| 525 | P | 62.8 | Low | 57.3 | Low | 101 Ų | 101 | 139.9 Ų | 139.9 | 66% | 0.656 | 75% | 0.75 | S | S | * | * | | | trans | -64.2 | 129.8 | 172.7 | 27.2 | -32.9 | 0 | 0 | 0 | 109 | N523 E527 | N523-P525 WeakPolarHBondContact O-CD 3.33Å; P525-E527 PolarHBondContact O-N 3.18Å; P525-E527 VanDerWaalsContact O-N 3.11Å |
| 526 | K | 60.8 | Low | 57.4 | Low | 213 Ų | 213 | 141.7 Ų | 141.7 | 93% | 0.926 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -70.7 | -5.7 | -173.7 | -69.5 | -175 | 175.6 | -178.6 | 0 | 114.5 | L524 | L524-K526 PolarHBondContact O-N 3.2Š|
| 527 | E | 61.6 | Low | 57.7 | Low | 156 Ų | 156 | 143.6 Ų | 143.6 | 73% | 0.729 | 75% | 0.749 | S | S | * | * | | | trans | -130 | 68.5 | -174.8 | -67.8 | -178.9 | 135.1 | 0 | 0 | 109.7 | P525 F529 | P525-E527 PolarHBondContact O-N 3.18Å; P525-E527 VanDerWaalsContact O-N 3.11Å; E527-F529 VanDerWaalsContact C-N 3.25Å; E527-F529 HydrophobicContact CB-CD1 3.94Å; E527-F529 HydrophobicContact CB-CE1 4.01Å; E527-F529 PolarHBondContact O-N 3.21Å |
| 528 | A | 58.2 | Low | 57.7 | Low | 81 Ų | 81 | 140.6 Ų | 140.6 | 67% | 0.669 | 74% | 0.742 | S | S | * | * | | | trans | -88.9 | 66.2 | 161 | 0 | 0 | 0 | 0 | 0 | 108.9 | L530 | A528-L530 PolarHBondContact O-N 3.03Š|
| 529 | F | 63.2 | Low | 57.9 | Low | 156 Ų | 156 | 138.1 Ų | 138.1 | 68% | 0.684 | 74% | 0.744 | S | S | * | * | | | trans | -65.9 | 118.9 | 172 | 40.1 | -97.5 | 0 | 0 | 0 | 109 | E527 V531 | E527-F529 VanDerWaalsContact C-N 3.25Å; E527-F529 HydrophobicContact CB-CD1 3.94Å; E527-F529 HydrophobicContact CB-CE1 4.01Å; E527-F529 PolarHBondContact O-N 3.21Å; F529-V531 HydrophobicContact CD2-CG2 3.88Å; F529-V531 HydrophobicContact CE2-CG2 4.32Å; F529-V531 PolarHBondContact O-N 3.03Å |
| 530 | L | 62.3 | Low | 57.5 | Low | 150 Ų | 150 | 135.5 Ų | 135.5 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | | | trans | -71.2 | 99.5 | 164.7 | -82.3 | 81 | 0 | 0 | 0 | 107.1 | A528 L532 | A528-L530 PolarHBondContact O-N 3.03Å; L530-L532 HydrophobicContact CD2-CD2 4.34Å; L530-L532 PolarHBondContact O-N 3.1Å |
| 531 | V | 64.8 | Low | 57.2 | Low | 110 Ų | 110 | 134.6 Ų | 134.6 | 67% | 0.667 | 75% | 0.749 | S | S | * | * | | | trans | -68.4 | 95.5 | 155 | -171.8 | 0 | 0 | 0 | 0 | 105.8 | F529 S533 | F529-V531 HydrophobicContact CD2-CG2 3.88Å; F529-V531 HydrophobicContact CE2-CG2 4.32Å; F529-V531 PolarHBondContact O-N 3.03Å; V531-S533 PolarHBondContact O-N 3.2Å |
| 532 | L | 58.2 | Low | 57 | Low | 135 Ų | 135 | 138.7 Ų | 138.7 | 71% | 0.707 | 75% | 0.754 | S | S | * | * | | | trans | -72.8 | 104.9 | 158.1 | -61.7 | 178.7 | 0 | 0 | 0 | 105 | L530 D534 | L530-L532 HydrophobicContact CD2-CD2 4.34Å; L530-L532 PolarHBondContact O-N 3.1Å; L532-D534 PolarHBondContact O-N 3.23Å; L532-D534 VanDerWaalsContact O-N 3.15Å |
| 533 | S | 60.1 | Low | 56.6 | Low | 76 Ų | 76 | 137 Ų | 137 | 53% | 0.531 | 75% | 0.751 | S | S | . | * | | | trans | -67.9 | 107 | 162.8 | -63.2 | 0 | 0 | 0 | 0 | 107.5 | V531 E535 | V531-S533 PolarHBondContact O-N 3.2Å; S533-E535 WeakPolarHBondContact CB-OE1 3.4Å; S533-E535 PolarHBondContact O-N 3.2Å; S533-E535 PolarHBondContact OG-OE1 3.04Å |
| 534 | D | 52.8 | Low | 55.8 | Low | 158 Ų | 158 | 138.5 Ų | 138.5 | 85% | 0.845 | 75% | 0.753 | S | S | * | * | | | trans | -71.6 | 54.7 | 158 | 44.8 | -34.3 | 0 | 0 | 0 | 110.3 | L532 E536 | L532-D534 PolarHBondContact O-N 3.23Å; L532-D534 VanDerWaalsContact O-N 3.15Å; D534-E536 PolarHBondContact O-N 3.1Å |
| 535 | E | 62.1 | Low | 55.2 | Low | 140 Ų | 140 | 136 Ų | 136 | 65% | 0.654 | 75% | 0.748 | S | S | * | * | | | trans | -84.6 | 94 | 169.5 | 61.7 | -164.3 | 105 | 0 | 0 | 109.4 | S533 D537 | S533-E535 WeakPolarHBondContact CB-OE1 3.4Å; S533-E535 PolarHBondContact O-N 3.2Å; S533-E535 PolarHBondContact OG-OE1 3.04Å; E535-D537 PolarHBondContact O-N 3.38Å; E535-D537 VanDerWaalsContact O-N 3.08Å |
| 536 | E | 54.6 | Low | 54.1 | Low | 159 Ų | 159 | 139 Ų | 139 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | | | trans | -70.3 | 95.6 | 169.1 | 50.4 | -176.9 | 85.3 | 0 | 0 | 110.2 | D534 L538 | D534-E536 PolarHBondContact O-N 3.1Å; E536-L538 PolarHBondContact O-N 3.22Å |
| 537 | D | 55.6 | Low | 53.3 | Low | 151 Ų | 151 | 133.5 Ų | 133.5 | 81% | 0.807 | 75% | 0.748 | S | S | * | * | | | trans | -61.3 | 81.4 | 170.4 | -96 | -39 | 0 | 0 | 0 | 110.4 | E535 S539 | E535-D537 PolarHBondContact O-N 3.38Å; E535-D537 VanDerWaalsContact O-N 3.08Å; D537-S539 PolarHBondContact O-N 3.24Å |
| 538 | L | 55.4 | Low | 52.5 | Low | 143 Ų | 143 | 130.8 Ų | 130.8 | 75% | 0.749 | 74% | 0.741 | S | S | * | * | | | trans | -60 | 106.6 | 166.7 | -68.5 | 179.7 | 0 | 0 | 0 | 107.9 | E536 C540 | E536-L538 PolarHBondContact O-N 3.22Å; L538-C540 PolarHBondContact O-N 3.46Å |
| 539 | S | 51.4 | Low | 51.7 | Low | 119 Ų | 119 | 131.2 Ų | 131.2 | 83% | 0.832 | 75% | 0.745 | S | S | * | * | | | trans | -66.4 | 89 | -168 | 61.2 | 0 | 0 | 0 | 0 | 112 | D537 G541 | D537-S539 PolarHBondContact O-N 3.24Å; S539-G541 PolarHBondContact O-N 2.78Å |
| 540 | C | 42.8 | Very low | 50.7 | Low | 114 Ų | 114 | 131.6 Ų | 131.6 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | | | trans | -60.8 | 102.5 | 169.3 | -178 | 0 | 0 | 0 | 0 | 108.7 | L538 K542 | L538-C540 PolarHBondContact O-N 3.46Å; C540-K542 PolarHBondContact O-N 3.46Å |
| 541 | G | 46.1 | Very low | 49.6 | Very low | 78 Ų | 78 | 129.9 Ų | 129.9 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | | | trans | -63.2 | 96 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | S539 D543 | S539-G541 PolarHBondContact O-N 2.78Å; G541-D543 PolarHBondContact O-N 3.5Å |
| 542 | K | 48.3 | Very low | 48.6 | Very low | 187 Ų | 187 | 133.4 Ų | 133.4 | 81% | 0.813 | 76% | 0.756 | S | S | * | * | | | trans | -92.2 | 102.6 | -176.9 | -171.7 | 146.9 | -173.4 | 166.2 | 0 | 110.3 | C540 E544 | C540-K542 PolarHBondContact O-N 3.46Å; K542-E544 PolarHBondContact O-N 3.37Å |
| 543 | D | 47.4 | Very low | 47.6 | Very low | 140 Ų | 140 | 134.4 Ų | 134.4 | 75% | 0.749 | 76% | 0.759 | S | S | * | * | | | trans | -42.7 | 117.3 | 171.8 | -164.5 | -92.5 | 0 | 0 | 0 | 111.5 | G541 S545 | G541-D543 PolarHBondContact O-N 3.5Å; D543-S545 PolarHBondContact O-N 3.4Å |
| 544 | E | 40.4 | Very low | 46.7 | Very low | 186 Ų | 186 | 136 Ų | 136 | 87% | 0.869 | 77% | 0.77 | S | S | * | * | | | trans | -89.3 | 88.6 | -178.1 | 58.5 | -176.3 | 114.8 | 0 | 0 | 110.7 | K542 E546 | K542-E544 PolarHBondContact O-N 3.37Å; E544-E546 PolarHBondContact O-N 2.98Å |
| 545 | S | 49.4 | Very low | 46.1 | Very low | 104 Ų | 104 | 133.6 Ų | 133.6 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | | | trans | -61.8 | 107.2 | -177.8 | -48.8 | 0 | 0 | 0 | 0 | 111.9 | D543 A547 | D543-S545 PolarHBondContact O-N 3.4Å; S545-A547 PolarHBondContact O-N 3.01Å; S545-A547 VanDerWaalsContact O-N 3.11Å |
| 546 | E | 41.5 | Very low | 45.6 | Very low | 164 Ų | 164 | 132.8 Ų | 132.8 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | | | trans | -59.1 | 111.1 | -176 | -170.5 | -173.5 | 147 | 0 | 0 | 112.3 | E544 V548 | E544-E546 PolarHBondContact O-N 2.98Å; E546-V548 VanDerWaalsContact C-N 3.31Å; E546-V548 HydrophobicContact CG-CG2 4.09Å; E546-V548 PolarHBondContact O-N 2.88Å; E546-V548 WeakPolarHBondContact OE1-CG2 3.38Å |
| 547 | A | 44 | Very low | 45.2 | Very low | 97 Ų | 97 | 134.7 Ų | 134.7 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | | | trans | -79 | 77 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | S545 A549 | S545-A547 PolarHBondContact O-N 3.01Å; S545-A547 VanDerWaalsContact O-N 3.11Å; A547-A549 PolarHBondContact O-N 3.01Å |
| 548 | V | 43.8 | Very low | 44.7 | Very low | 98 Ų | 98 | 130.9 Ų | 130.9 | 59% | 0.594 | 77% | 0.773 | S | S | * | * | | | trans | -58.2 | 97.1 | 179.7 | -179 | 0 | 0 | 0 | 0 | 111.3 | E546 Q550 | E546-V548 VanDerWaalsContact C-N 3.31Å; E546-V548 HydrophobicContact CG-CG2 4.09Å; E546-V548 PolarHBondContact O-N 2.88Å; E546-V548 WeakPolarHBondContact OE1-CG2 3.38Å; V548-Q550 PolarHBondContact O-N 3.32Å |
| 549 | A | 42.4 | Very low | 43.9 | Very low | 91 Ų | 91 | 137.3 Ų | 137.3 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | | | trans | -72.6 | 95.5 | 172 | 0 | 0 | 0 | 0 | 0 | 109.7 | A547 S551 | A547-A549 PolarHBondContact O-N 3.01Å; A549-S551 PolarHBondContact O-N 2.98Å |
| 550 | Q | 41.5 | Very low | 43.5 | Very low | 163 Ų | 163 | 138.2 Ų | 138.2 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | | | trans | -60.8 | 96.7 | 178 | -72.1 | -172 | -11.1 | 0 | 0 | 111.8 | V548 K552 | V548-Q550 PolarHBondContact O-N 3.32Å; Q550-K552 PolarHBondContact O-N 3.31Å; Q550-K552 VanDerWaalsContact O-N 3.07Å |
| 551 | S | 40.1 | Very low | 43.5 | Very low | 114 Ų | 114 | 139.5 Ų | 139.5 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | | | trans | -67.3 | 101.9 | 170.2 | 46.5 | 0 | 0 | 0 | 0 | 109.6 | A549 M553 | A549-S551 PolarHBondContact O-N 2.98Å; S551-M553 VanDerWaalsContact C-N 3.28Å; S551-M553 PolarHBondContact O-N 3.48Å |
| 552 | K | 42.4 | Very low | 43.4 | Very low | 185 Ų | 185 | 142.9 Ų | 142.9 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | trans | -70.7 | 84.7 | 175.9 | -67.6 | -175 | -179.1 | -179.8 | 0 | 110.3 | Q550 S554 | Q550-K552 PolarHBondContact O-N 3.31Å; Q550-K552 VanDerWaalsContact O-N 3.07Å; K552-S554 PolarHBondContact O-N 3.24Å |
| 553 | M | 37.9 | Very low | 43.1 | Very low | 155 Ų | 155 | 140.3 Ų | 140.3 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | | | trans | -66.9 | 95.5 | 169.5 | 178.4 | 58.8 | -172.1 | 0 | 0 | 109.5 | S551 T555 | S551-M553 VanDerWaalsContact C-N 3.28Å; S551-M553 PolarHBondContact O-N 3.48Å; M553-T555 HydrophobicContact CE-CG2 4.18Å; M553-T555 HydrophobicContact CG-CG2 4.46Å; M553-T555 PolarHBondContact O-N 3.44Å; M553-T555 VanDerWaalsContact O-N 3.09Å |
| 554 | S | 40.7 | Very low | 42.8 | Very low | 109 Ų | 109 | 140.3 Ų | 140.3 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | | | trans | -72 | 96.5 | 172.3 | -63.4 | 0 | 0 | 0 | 0 | 110.6 | K552 | K552-S554 PolarHBondContact O-N 3.24Š|
| 555 | T | 40.3 | Very low | 43 | Very low | 108 Ų | 108 | 137.3 Ų | 137.3 | 66% | 0.663 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 132.5 | 159.5 | 49.4 | 0 | 0 | 0 | 0 | 109.7 | M553 | M553-T555 HydrophobicContact CE-CG2 4.18Å; M553-T555 HydrophobicContact CG-CG2 4.46Å; M553-T555 PolarHBondContact O-N 3.44Å; M553-T555 VanDerWaalsContact O-N 3.09Å |
| 556 | P | 52.6 | Low | 42.5 | Very low | 124 Ų | 124 | 139.6 Ų | 139.6 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -73 | 134 | 178.5 | 29.8 | -33.9 | 0 | 0 | 0 | 111.5 | | |
| 557 | E | 45.5 | Very low | 42.6 | Very low | 198 Ų | 198 | 137.8 Ų | 137.8 | 93% | 0.925 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 151.1 | 156.6 | -154.7 | 172.7 | 146.5 | 0 | 0 | 108.6 | | |
| 558 | G | 45 | Very low | 42.5 | Very low | 71 Ų | 71 | 141.2 Ų | 141.2 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | | | trans | -108.8 | 178.4 | -163.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 559 | E | 38 | Very low | 42.4 | Very low | 278 Ų | 278 | 145.1 Ų | 145.1 | 100% | 1.299 | 82% | 0.824 | S | S | * | * | | | trans | -126 | 0 | 151.9 | -76 | -164.4 | 100.8 | 0 | 0 | 108.9 | | |