| 1 | M | 48.9 | Very low | 47.2 | Very low | 243 Ų | 243 | 131.4 Ų | 131.4 | 100% | 1.197 | 84% | 0.838 | S | S | * | * | | | | 0 | 90.4 | 0 | -70.2 | 179.6 | 170.6 | 0 | 0 | 107.4 | | |
| 2 | L | 39.4 | Very low | 47.9 | Very low | 162 Ų | 162 | 125.7 Ų | 125.7 | 85% | 0.848 | 82% | 0.822 | S | S | * | * | | | trans | -142.4 | 115.5 | -171.9 | -88.7 | 155 | 0 | 0 | 0 | 107.5 | | |
| 3 | A | 46.8 | Very low | 48.5 | Very low | 104 Ų | 104 | 133 Ų | 133 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | | | trans | -146 | 84.1 | 160.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | G5 | A3-G5 PolarHBondContact O-N 3.31Š|
| 4 | H | 47.5 | Very low | 49.4 | Very low | 182 Ų | 182 | 129.8 Ų | 129.8 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | | | trans | -64.7 | 108.6 | 161.9 | -102.3 | -80.1 | 0 | 0 | 0 | 108.1 | S6 | H4-S6 PolarHBondContact O-N 3.28Š|
| 5 | G | 50.3 | Low | 50.1 | Low | 74 Ų | 74 | 127.3 Ų | 127.3 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | | | trans | -79.7 | 107 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110 | A3 | A3-G5 PolarHBondContact O-N 3.31Š|
| 6 | S | 50.2 | Low | 51 | Low | 104 Ų | 104 | 126.9 Ų | 126.9 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | | | trans | -66.4 | 128.3 | 175.3 | 54.7 | 0 | 0 | 0 | 0 | 111.8 | H4 T8 | H4-S6 PolarHBondContact O-N 3.28Å; S6-T8 PolarHBondContact O-N 3.11Å |
| 7 | T | 45.9 | Very low | 52 | Low | 137 Ų | 137 | 127.8 Ų | 127.8 | 84% | 0.84 | 77% | 0.773 | S | S | * | * | | | trans | -69.7 | 102.4 | 170.9 | 40.1 | 0 | 0 | 0 | 0 | 111.2 | S9 | T7-S9 PolarHBondContact O-N 3.4Š|
| 8 | T | 48.5 | Very low | 52.9 | Low | 129 Ų | 129 | 124.7 Ų | 124.7 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | | | trans | -84.6 | 93.6 | 166.3 | 46 | 0 | 0 | 0 | 0 | 110.2 | S6 C10 | S6-T8 PolarHBondContact O-N 3.11Å; T8-C10 PolarHBondContact O-N 3.43Å |
| 9 | S | 44.2 | Very low | 53.9 | Low | 116 Ų | 116 | 127.9 Ų | 127.9 | 81% | 0.811 | 76% | 0.755 | S | S | * | * | | | trans | -77.6 | 86.5 | 168 | 69.5 | 0 | 0 | 0 | 0 | 110.5 | T7 | T7-S9 PolarHBondContact O-N 3.4Š|
| 10 | C | 48.3 | Very low | 54.9 | Low | 130 Ų | 130 | 126 Ų | 126 | 88% | 0.878 | 74% | 0.74 | S | S | * | * | | | trans | -140.6 | 63.7 | 173.6 | -79 | 0 | 0 | 0 | 0 | 110.5 | T8 | T8-C10 PolarHBondContact O-N 3.43Š|
| 11 | G | 49.3 | Very low | 55.6 | Low | 64 Ų | 64 | 129.1 Ų | 129.1 | 66% | 0.66 | 74% | 0.739 | S | S | * | * | | | trans | -122.5 | -11.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 12 | G | 55.1 | Low | 56.6 | Low | 63 Ų | 63 | 121.6 Ų | 121.6 | 65% | 0.649 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -99.9 | -21 | -165.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 13 | R | 56.6 | Low | 58.3 | Low | 221 Ų | 221 | 117.7 Ų | 117.7 | 83% | 0.834 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -91.9 | -18.2 | -167.9 | -79.3 | -177.5 | 168.2 | 179.3 | -3.5 | 115.2 | F17 | R13-F17 WeakPolarHBondContact O-CD2 3.34Å |
| 14 | S | 60.1 | Low | 59.6 | Low | 88 Ų | 88 | 117.4 Ų | 117.4 | 62% | 0.615 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -75.1 | -30.3 | -178.7 | 49.4 | 0 | 0 | 0 | 0 | 113.4 | S18 | S14-S18 PolarHBondContact O-N 3.26Å |
| 15 | V | 60.8 | Low | 60.7 | Low | 93 Ų | 93 | 112.7 Ų | 112.7 | 56% | 0.564 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -70 | -38.3 | -178.7 | -173.3 | 0 | 0 | 0 | 0 | 111.3 | S18 W19 | V15-S18 PolarHBondContact O-N 3Å; V15-W19 PolarHBondContact O-N 3.43Å; V15-W19 VanDerWaalsContact O-N 3.11Å |
| 16 | L | 64.9 | Low | 61.9 | Low | 121 Ų | 121 | 115.6 Ų | 115.6 | 63% | 0.634 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -66.7 | -42 | -179.2 | -142 | 99.4 | 0 | 0 | 0 | 112 | S18 W19 I20 | L16-S18 VanDerWaalsContact C-N 3.35Å; L16-S18 PolarHBondContact O-N 3.41Å; L16-W19 PolarHBondContact O-N 3.07Å; L16-I20 HydrophobicContact CD2-CD1 4.36Å; L16-I20 VanDerWaalsContact O-CG1 3.31Å; L16-I20 WeakPolarHBondContact O-CG1 3.29Å; L16-I20 PolarHBondContact O-N 2.97Å; L16-I20 VanDerWaalsContact O-N 3.14Å |
| 17 | F | 66.7 | Low | 63.1 | Low | 142 Ų | 142 | 113.3 Ų | 113.3 | 62% | 0.623 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -68.9 | -32.1 | 177.7 | -85.5 | -78.6 | 0 | 0 | 0 | 113.1 | R13 R21 | R13-F17 WeakPolarHBondContact O-CD2 3.34Å; F17-R21 PolarHBondContact O-N 3.09Å |
| 18 | S | 69.3 | Low | 64.5 | Low | 72 Ų | 72 | 109 Ų | 109 | 50% | 0.503 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -67 | -44.2 | 175 | -170.6 | 0 | 0 | 0 | 0 | 111.4 | S14 V15 L16 I20 R21 C22 | S14-S18 PolarHBondContact O-N 3.26Å; V15-S18 PolarHBondContact O-N 3Å; L16-S18 VanDerWaalsContact C-N 3.35Å; L16-S18 PolarHBondContact O-N 3.41Å; S18-I20 PolarHBondContact O-N 3.17Å; S18-R21 PolarHBondContact O-N 2.98Å; S18-C22 PolarHBondContact O-N 3.19Å; S18-C22 VanDerWaalsContact O-N 3.13Å |
| 19 | W | 72.1 | Confident | 65.7 | Low | 185 Ų | 185 | 107.8 Ų | 107.8 | 70% | 0.701 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -62.5 | -44.3 | 177.7 | -114 | 79.2 | 0 | 0 | 0 | 112.7 | V15 L16 R21 C22 V23 | V15-W19 PolarHBondContact O-N 3.43Å; V15-W19 VanDerWaalsContact O-N 3.11Å; L16-W19 PolarHBondContact O-N 3.07Å; W19-R21 VanDerWaalsContact C-N 3.31Å; W19-R21 PolarHBondContact O-N 2.99Å; W19-C22 PolarHBondContact O-N 3.36Å; W19-V23 HydrophobicContact CE3-CG2 3.97Å; W19-V23 HydrophobicContact CZ3-CG2 4.25Å; W19-V23 WeakPolarHBondContact O-CG2 3.45Å; W19-V23 PolarHBondContact O-N 2.8Å |
| 20 | I | 74 | Confident | 67.3 | Low | 90 Ų | 90 | 106.1 Ų | 106.1 | 46% | 0.462 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -61 | -40.8 | 178.7 | -66.5 | 164.7 | 0 | 0 | 0 | 111 | L16 S18 V23 V24 | L16-I20 HydrophobicContact CD2-CD1 4.36Å; L16-I20 VanDerWaalsContact O-CG1 3.31Å; L16-I20 WeakPolarHBondContact O-CG1 3.29Å; L16-I20 PolarHBondContact O-N 2.97Å; L16-I20 VanDerWaalsContact O-N 3.14Å; S18-I20 PolarHBondContact O-N 3.17Å; I20-V23 PolarHBondContact O-N 3.5Å; I20-V24 HydrophobicContact CG2-CG2 4.44Å; I20-V24 WeakPolarHBondContact O-CG2 3.4Å; I20-V24 PolarHBondContact O-N 3.1Å |
| 21 | R | 69 | Low | 68.5 | Low | 192 Ų | 192 | 102.9 Ų | 102.9 | 73% | 0.725 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64.7 | -39.4 | 176.3 | -83.7 | -169.2 | 156.6 | 126.3 | -1.5 | 113 | F17 S18 W19 S25 | F17-R21 PolarHBondContact O-N 3.09Å; S18-R21 PolarHBondContact O-N 2.98Å; W19-R21 VanDerWaalsContact C-N 3.31Å; W19-R21 PolarHBondContact O-N 2.99Å; R21-S25 PolarHBondContact O-N 3.48Å; R21-S25 VanDerWaalsContact O-N 3.1Å; R21-S25 PolarHBondContact O-OG 3.15Å |
| 22 | C | 69.9 | Low | 69.6 | Low | 84 Ų | 84 | 101.5 Ų | 101.5 | 57% | 0.568 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.2 | -41.9 | 175.1 | -74.1 | 0 | 0 | 0 | 0 | 112.1 | S18 W19 S25 F26 | S18-C22 PolarHBondContact O-N 3.19Å; S18-C22 VanDerWaalsContact O-N 3.13Å; W19-C22 PolarHBondContact O-N 3.36Å; C22-S25 PolarHBondContact O-N 3.45Å; C22-F26 WeakPolarHBondContact O-CB 3.45Å; C22-F26 PolarHBondContact O-N 2.85Å |
| 23 | V | 75.1 | Confident | 70.7 | Confident | 80 Ų | 80 | 102 Ų | 102 | 49% | 0.485 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.4 | -42.4 | 178.9 | 175 | 0 | 0 | 0 | 0 | 111.5 | W19 I20 F26 A27 | W19-V23 HydrophobicContact CE3-CG2 3.97Å; W19-V23 HydrophobicContact CZ3-CG2 4.25Å; W19-V23 WeakPolarHBondContact O-CG2 3.45Å; W19-V23 PolarHBondContact O-N 2.8Å; I20-V23 PolarHBondContact O-N 3.5Å; V23-F26 PolarHBondContact O-N 2.97Å; V23-A27 WeakPolarHBondContact O-CB 3.4Å; V23-A27 PolarHBondContact O-N 3.11Å |
| 24 | V | 73.8 | Confident | 71.4 | Confident | 99 Ų | 99 | 100.6 Ų | 100.6 | 60% | 0.6 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.9 | -41.5 | 177.9 | 173.7 | 0 | 0 | 0 | 0 | 111.6 | I20 A27 G28 | I20-V24 HydrophobicContact CG2-CG2 4.44Å; I20-V24 WeakPolarHBondContact O-CG2 3.4Å; I20-V24 PolarHBondContact O-N 3.1Å; V24-A27 PolarHBondContact O-N 3.37Å; V24-G28 PolarHBondContact O-N 3.46Å |
| 25 | S | 70.9 | Confident | 71.9 | Confident | 82 Ų | 82 | 99.1 Ų | 99.1 | 57% | 0.573 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.9 | -41.2 | 175.7 | -66.3 | 0 | 0 | 0 | 0 | 112.1 | R21 C22 G28 V29 | R21-S25 PolarHBondContact O-N 3.48Å; R21-S25 VanDerWaalsContact O-N 3.1Å; R21-S25 PolarHBondContact O-OG 3.15Å; C22-S25 PolarHBondContact O-N 3.45Å; S25-G28 PolarHBondContact O-N 3.2Å; S25-V29 WeakPolarHBondContact O-CG2 3.09Å; S25-V29 PolarHBondContact O-N 2.95Å; S25-V29 VanDerWaalsContact O-N 3.1Å |
| 26 | F | 74.8 | Confident | 72 | Confident | 135 Ų | 135 | 100.1 Ų | 100.1 | 59% | 0.592 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.8 | -40.1 | 178.1 | -164.7 | -103.4 | 0 | 0 | 0 | 112.1 | C22 V23 G28 V29 L30 | C22-F26 WeakPolarHBondContact O-CB 3.45Å; C22-F26 PolarHBondContact O-N 2.85Å; V23-F26 PolarHBondContact O-N 2.97Å; F26-G28 VanDerWaalsContact C-N 3.33Å; F26-G28 PolarHBondContact O-N 3.24Å; F26-V29 PolarHBondContact O-N 3.48Å; F26-L30 HydrophobicContact CD1-CD1 3.72Å; F26-L30 HydrophobicContact CD1-CG 4.23Å; F26-L30 HydrophobicContact CE1-CD1 3.51Å; F26-L30 HydrophobicContact CE1-CD2 4.48Å; F26-L30 HydrophobicContact CE1-CG 4.04Å; F26-L30 HydrophobicContact CZ-CD1 4.39Å; F26-L30 WeakPolarHBondContact O-CG 3.44Å; F26-L30 PolarHBondContact O-N 2.95Å |
| 27 | A | 74.8 | Confident | 72.2 | Confident | 57 Ų | 57 | 97.8 Ų | 97.8 | 47% | 0.471 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.3 | -39.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V23 V24 L30 A31 | V23-A27 WeakPolarHBondContact O-CB 3.4Å; V23-A27 PolarHBondContact O-N 3.11Å; V24-A27 PolarHBondContact O-N 3.37Å; A27-L30 PolarHBondContact O-N 2.89Å; A27-A31 WeakPolarHBondContact O-CB 3.3Å; A27-A31 PolarHBondContact O-N 2.98Å |
| 28 | G | 75.6 | Confident | 72.1 | Confident | 47 Ų | 47 | 93.4 Ų | 93.4 | 49% | 0.485 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.7 | -42.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | V24 S25 F26 A31 G32 | V24-G28 PolarHBondContact O-N 3.46Å; S25-G28 PolarHBondContact O-N 3.2Å; F26-G28 VanDerWaalsContact C-N 3.33Å; F26-G28 PolarHBondContact O-N 3.24Å; G28-A31 PolarHBondContact O-N 2.79Å; G28-G32 PolarHBondContact O-N 3.37Å |
| 29 | V | 75.3 | Confident | 71.5 | Confident | 103 Ų | 103 | 93.2 Ų | 93.2 | 62% | 0.624 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.3 | -42.7 | 176.7 | 174.7 | 0 | 0 | 0 | 0 | 111.1 | S25 F26 G32 C33 | S25-V29 WeakPolarHBondContact O-CG2 3.09Å; S25-V29 PolarHBondContact O-N 2.95Å; S25-V29 VanDerWaalsContact O-N 3.1Å; F26-V29 PolarHBondContact O-N 3.48Å; V29-G32 PolarHBondContact O-N 3.31Å; V29-C33 WeakPolarHBondContact O-CB 3.29Å; V29-C33 PolarHBondContact O-N 2.9Å |
| 30 | L | 77.1 | Confident | 70.7 | Confident | 80 Ų | 80 | 90.1 Ų | 90.1 | 42% | 0.419 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.2 | -44.3 | 175.6 | -72.8 | 177 | 0 | 0 | 0 | 111.6 | F26 A27 G32 C33 W34 | F26-L30 HydrophobicContact CD1-CD1 3.72Å; F26-L30 HydrophobicContact CD1-CG 4.23Å; F26-L30 HydrophobicContact CE1-CD1 3.51Å; F26-L30 HydrophobicContact CE1-CD2 4.48Å; F26-L30 HydrophobicContact CE1-CG 4.04Å; F26-L30 HydrophobicContact CZ-CD1 4.39Å; F26-L30 WeakPolarHBondContact O-CG 3.44Å; F26-L30 PolarHBondContact O-N 2.95Å; A27-L30 PolarHBondContact O-N 2.89Å; L30-G32 VanDerWaalsContact C-N 3.34Å; L30-G32 PolarHBondContact O-N 3.14Å; L30-C33 PolarHBondContact O-N 3.39Å; L30-W34 VanDerWaalsContact O-CD1 3.23Å; L30-W34 PolarHBondContact O-N 3.48Å |
| 31 | A | 72.2 | Confident | 69.9 | Low | 62 Ų | 62 | 90.3 Ų | 90.3 | 51% | 0.512 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.4 | -41.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A27 G28 W34 A35 | A27-A31 WeakPolarHBondContact O-CB 3.3Å; A27-A31 PolarHBondContact O-N 2.98Å; G28-A31 PolarHBondContact O-N 2.79Å; A31-W34 PolarHBondContact O-N 3.18Å; A31-A35 WeakPolarHBondContact O-CB 3.38Å; A31-A35 PolarHBondContact O-N 3.32Å |
| 32 | G | 74.4 | Confident | 69.1 | Low | 36 Ų | 36 | 86.3 Ų | 86.3 | 37% | 0.371 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.5 | -40 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | G28 V29 L30 A35 L36 | G28-G32 PolarHBondContact O-N 3.37Å; V29-G32 PolarHBondContact O-N 3.31Å; L30-G32 VanDerWaalsContact C-N 3.34Å; L30-G32 PolarHBondContact O-N 3.14Å; G32-A35 PolarHBondContact O-N 2.94Å; G32-L36 WeakPolarHBondContact O-CG 3.43Å; G32-L36 PolarHBondContact O-N 3.42Å |
| 33 | C | 76.6 | Confident | 68 | Low | 73 Ų | 73 | 89.6 Ų | 89.6 | 49% | 0.493 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.6 | -41.9 | 177.7 | -148.3 | 0 | 0 | 0 | 0 | 111.4 | V29 L30 L36 V37 | V29-C33 WeakPolarHBondContact O-CB 3.29Å; V29-C33 PolarHBondContact O-N 2.9Å; L30-C33 PolarHBondContact O-N 3.39Å; C33-L36 PolarHBondContact O-N 3.2Å; C33-V37 WeakPolarHBondContact O-CG2 3.46Å; C33-V37 PolarHBondContact O-N 3.28Å |
| 34 | W | 72.3 | Confident | 66.6 | Low | 191 Ų | 191 | 89.1 Ų | 89.1 | 72% | 0.723 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.6 | -37.9 | 173.8 | -85.9 | 97.9 | 0 | 0 | 0 | 112.8 | L30 A31 L36 V37 A38 | L30-W34 VanDerWaalsContact O-CD1 3.23Å; L30-W34 PolarHBondContact O-N 3.48Å; A31-W34 PolarHBondContact O-N 3.18Å; W34-L36 VanDerWaalsContact C-N 3.34Å; W34-L36 PolarHBondContact O-N 2.91Å; W34-V37 PolarHBondContact O-N 3.33Å; W34-A38 WeakPolarHBondContact O-CB 3.45Å; W34-A38 PolarHBondContact O-N 3.45Å |
| 35 | A | 69.3 | Low | 65.1 | Low | 57 Ų | 57 | 87 Ų | 87 | 47% | 0.471 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.7 | -37.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A31 G32 A38 C39 | A31-A35 WeakPolarHBondContact O-CB 3.38Å; A31-A35 PolarHBondContact O-N 3.32Å; G32-A35 PolarHBondContact O-N 2.94Å; A35-A38 PolarHBondContact O-N 3.25Å; A35-C39 WeakPolarHBondContact O-CB 3.37Å; A35-C39 PolarHBondContact O-N 2.86Å |
| 36 | L | 64.5 | Low | 63.7 | Low | 115 Ų | 115 | 90.7 Ų | 90.7 | 60% | 0.602 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -67.5 | -40.7 | 174.2 | -74.2 | 172.9 | 0 | 0 | 0 | 112.1 | G32 C33 W34 C39 L40 | G32-L36 WeakPolarHBondContact O-CG 3.43Å; G32-L36 PolarHBondContact O-N 3.42Å; C33-L36 PolarHBondContact O-N 3.2Å; W34-L36 VanDerWaalsContact C-N 3.34Å; W34-L36 PolarHBondContact O-N 2.91Å; L36-C39 PolarHBondContact O-N 2.86Å; L36-L40 WeakPolarHBondContact O-CB 3.37Å; L36-L40 VanDerWaalsContact O-CG 3.29Å; L36-L40 WeakPolarHBondContact O-CG 3.29Å; L36-L40 PolarHBondContact O-N 3.12Å |
| 37 | V | 69.3 | Low | 61.7 | Low | 71 Ų | 71 | 87.4 Ų | 87.4 | 43% | 0.43 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.8 | -42.9 | 174.9 | 174.7 | 0 | 0 | 0 | 0 | 110.8 | C33 W34 L40 V41 | C33-V37 WeakPolarHBondContact O-CG2 3.46Å; C33-V37 PolarHBondContact O-N 3.28Å; W34-V37 PolarHBondContact O-N 3.33Å; V37-L40 PolarHBondContact O-N 3.07Å; V37-V41 HydrophobicContact CG1-CG2 4.3Å; V37-V41 VanDerWaalsContact O-CG2 3.29Å; V37-V41 WeakPolarHBondContact O-CG2 3.48Å; V37-V41 PolarHBondContact O-N 3.48Å |
| 38 | A | 62.7 | Low | 59.7 | Low | 51 Ų | 51 | 95.6 Ų | 95.6 | 42% | 0.421 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -60.7 | -46.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | W34 A35 L40 V41 D42 | W34-A38 WeakPolarHBondContact O-CB 3.45Å; W34-A38 PolarHBondContact O-N 3.45Å; A35-A38 PolarHBondContact O-N 3.25Å; A38-L40 VanDerWaalsContact C-N 3.34Å; A38-L40 PolarHBondContact O-N 2.96Å; A38-V41 PolarHBondContact O-N 2.96Å; A38-D42 PolarHBondContact O-N 3.49Å |
| 39 | C | 57.1 | Low | 57.7 | Low | 68 Ų | 68 | 100.6 Ų | 100.6 | 46% | 0.459 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -58.4 | -44.4 | 173.2 | -85 | 0 | 0 | 0 | 0 | 112 | A35 L36 V41 D42 F43 | A35-C39 WeakPolarHBondContact O-CB 3.37Å; A35-C39 PolarHBondContact O-N 2.86Å; L36-C39 PolarHBondContact O-N 2.86Å; C39-V41 VanDerWaalsContact C-N 3.34Å; C39-V41 PolarHBondContact O-N 2.9Å; C39-D42 PolarHBondContact O-N 3.47Å; C39-F43 WeakPolarHBondContact O-CD2 3.31Å; C39-F43 PolarHBondContact O-N 3.34Å |
| 40 | L | 54.9 | Low | 55.8 | Low | 119 Ų | 119 | 101.3 Ų | 101.3 | 62% | 0.623 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -65.3 | -37.1 | 178.7 | -75.4 | 169.8 | 0 | 0 | 0 | 112.5 | L36 V37 A38 F43 A44 | L36-L40 WeakPolarHBondContact O-CB 3.37Å; L36-L40 VanDerWaalsContact O-CG 3.29Å; L36-L40 WeakPolarHBondContact O-CG 3.29Å; L36-L40 PolarHBondContact O-N 3.12Å; V37-L40 PolarHBondContact O-N 3.07Å; A38-L40 VanDerWaalsContact C-N 3.34Å; A38-L40 PolarHBondContact O-N 2.96Å; L40-F43 PolarHBondContact O-N 3.29Å; L40-A44 VanDerWaalsContact O-CB 3.3Å; L40-A44 WeakPolarHBondContact O-CB 3.42Å; L40-A44 PolarHBondContact O-N 3.36Å |
| 41 | V | 58.3 | Low | 53.6 | Low | 95 Ų | 95 | 108.1 Ų | 108.1 | 58% | 0.576 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -69.5 | -37.8 | 175.8 | 173.5 | 0 | 0 | 0 | 0 | 111 | V37 A38 C39 A44 G45 | V37-V41 HydrophobicContact CG1-CG2 4.3Å; V37-V41 VanDerWaalsContact O-CG2 3.29Å; V37-V41 WeakPolarHBondContact O-CG2 3.48Å; V37-V41 PolarHBondContact O-N 3.48Å; A38-V41 PolarHBondContact O-N 2.96Å; C39-V41 VanDerWaalsContact C-N 3.34Å; C39-V41 PolarHBondContact O-N 2.9Å; V41-A44 PolarHBondContact O-N 3.46Å; V41-G45 PolarHBondContact O-N 3.32Å |
| 42 | D | 51.8 | Low | 51.7 | Low | 107 Ų | 107 | 112.5 Ų | 112.5 | 57% | 0.572 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -65.7 | -40.9 | 173.3 | -89.1 | -39.5 | 0 | 0 | 0 | 112.1 | A38 C39 A44 G45 Q46 | A38-D42 PolarHBondContact O-N 3.49Å; C39-D42 PolarHBondContact O-N 3.47Å; D42-A44 VanDerWaalsContact C-N 3.35Å; D42-G45 PolarHBondContact O-N 2.9Å; D42-Q46 WeakPolarHBondContact O-CB 3.46Å; D42-Q46 WeakPolarHBondContact O-CG 3.45Å; D42-Q46 PolarHBondContact O-N 2.99Å |
| 43 | F | 46.6 | Very low | 49.5 | Very low | 153 Ų | 153 | 114.5 Ų | 114.5 | 67% | 0.671 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -67 | -34.8 | 173.8 | -81.1 | -67.6 | 0 | 0 | 0 | 112.5 | C39 L40 A47 | C39-F43 WeakPolarHBondContact O-CD2 3.31Å; C39-F43 PolarHBondContact O-N 3.34Å; L40-F43 PolarHBondContact O-N 3.29Å; F43-A47 WeakPolarHBondContact O-CB 3.33Å; F43-A47 PolarHBondContact O-N 3.05Å |
| 44 | A | 45.2 | Very low | 47.2 | Very low | 71 Ų | 71 | 118.1 Ų | 118.1 | 59% | 0.587 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -74.5 | -32.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L40 V41 D42 | L40-A44 VanDerWaalsContact O-CB 3.3Å; L40-A44 WeakPolarHBondContact O-CB 3.42Å; L40-A44 PolarHBondContact O-N 3.36Å; V41-A44 PolarHBondContact O-N 3.46Å; D42-A44 VanDerWaalsContact C-N 3.35Å |
| 45 | G | 43.9 | Very low | 45 | Very low | 55 Ų | 55 | 115.7 Ų | 115.7 | 57% | 0.567 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -76.3 | -30.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | V41 D42 | V41-G45 PolarHBondContact O-N 3.32Å; D42-G45 PolarHBondContact O-N 2.9Å |
| 46 | Q | 41 | Very low | 43 | Very low | 159 Ų | 159 | 118.4 Ų | 118.4 | 74% | 0.743 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -85.1 | -11.7 | 172.5 | -68.8 | -171.7 | 4.2 | 0 | 0 | 113.4 | D42 R48 | D42-Q46 WeakPolarHBondContact O-CB 3.46Å; D42-Q46 WeakPolarHBondContact O-CG 3.45Å; D42-Q46 PolarHBondContact O-N 2.99Å; Q46-R48 PolarHBondContact O-N 3.15Å |
| 47 | A | 33.3 | Very low | 41.2 | Very low | 66 Ų | 66 | 118.6 Ų | 118.6 | 55% | 0.545 | 67% | 0.666 | S | S | . | * | | | trans | -77.7 | 49.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | F43 L49 | F43-A47 WeakPolarHBondContact O-CB 3.33Å; F43-A47 PolarHBondContact O-N 3.05Å; A47-L49 VanDerWaalsContact C-N 3.29Å; A47-L49 PolarHBondContact O-N 2.96Å |
| 48 | R | 33.1 | Very low | 39.1 | Very low | 228 Ų | 228 | 120.9 Ų | 120.9 | 86% | 0.86 | 68% | 0.68 | S | S | * | * | | | trans | -67.3 | 98.8 | 155.6 | -88 | -171.3 | 174.7 | -162.9 | 0.1 | 106.6 | Q46 | Q46-R48 PolarHBondContact O-N 3.15Š|
| 49 | L | 33.5 | Very low | 37.3 | Very low | 152 Ų | 152 | 122.6 Ų | 122.6 | 80% | 0.796 | 69% | 0.689 | S | S | * | * | | | trans | -34.1 | 128 | 167.1 | -76.1 | 133.4 | 0 | 0 | 0 | 109.8 | A47 R51 | A47-L49 VanDerWaalsContact C-N 3.29Å; A47-L49 PolarHBondContact O-N 2.96Å; L49-R51 VanDerWaalsContact C-N 3.34Å; L49-R51 PolarHBondContact O-N 3.37Å |
| 50 | P | 34.8 | Very low | 35.8 | Very low | 119 Ų | 119 | 124.3 Ų | 124.3 | 77% | 0.773 | 70% | 0.702 | S | S | * | * | | | trans | -59.8 | 107.1 | 166.7 | 25.8 | -29.9 | 0 | 0 | 0 | 105.8 | V52 | P50-V52 PolarHBondContact O-N 3.3Å; P50-V52 VanDerWaalsContact O-N 3.1Å |
| 51 | R | 31 | Very low | 34.4 | Very low | 223 Ų | 223 | 129.6 Ų | 129.6 | 84% | 0.842 | 71% | 0.714 | S | S | * | * | | | trans | -57.7 | 121.6 | 168.9 | -76.3 | -170.8 | 175.5 | -178.6 | -1.3 | 105.7 | L49 S53 | L49-R51 VanDerWaalsContact C-N 3.34Å; L49-R51 PolarHBondContact O-N 3.37Å; R51-S53 PolarHBondContact O-N 3.33Å |
| 52 | V | 31.4 | Very low | 32.7 | Very low | 154 Ų | 154 | 130.8 Ų | 130.8 | 93% | 0.933 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -68 | 78.1 | 176.1 | -177.9 | 0 | 0 | 0 | 0 | 107.2 | P50 | P50-V52 PolarHBondContact O-N 3.3Å; P50-V52 VanDerWaalsContact O-N 3.1Å |
| 53 | S | 28.1 | Very low | 31.3 | Very low | 77 Ų | 77 | 131.2 Ų | 131.2 | 54% | 0.538 | 74% | 0.736 | S | S | . | * | | | trans | -175 | 122.3 | 177.9 | 44.5 | 0 | 0 | 0 | 0 | 106.2 | R51 | R51-S53 PolarHBondContact O-N 3.33Š|
| 54 | D | 28.8 | Very low | 30.4 | Very low | 149 Ų | 149 | 131.8 Ų | 131.8 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | | | trans | 92.8 | 60.5 | -178.5 | -48.1 | -27.7 | 0 | 0 | 0 | 115.5 | V56 | D54-V56 PolarHBondContact O-N 3.04Š|
| 55 | V | 27 | Very low | 29.4 | Very low | 140 Ų | 140 | 132.8 Ų | 132.8 | 85% | 0.848 | 75% | 0.748 | S | S | * | * | | | trans | -66 | 91.9 | 147.9 | 178.4 | 0 | 0 | 0 | 0 | 107.1 | V57 | V55-V57 HydrophobicContact CG1-CG2 4.46Å; V55-V57 PolarHBondContact O-N 3.46Å; V55-V57 VanDerWaalsContact O-N 3.15Å |
| 56 | V | 26.9 | Very low | 28.6 | Very low | 114 Ų | 114 | 135.7 Ų | 135.7 | 69% | 0.691 | 76% | 0.755 | S | S | * | * | | | trans | -72.5 | 103 | 165.6 | 177.9 | 0 | 0 | 0 | 0 | 107.1 | D54 V58 | D54-V56 PolarHBondContact O-N 3.04Å; V56-V58 HydrophobicContact CG1-CG2 4.31Å; V56-V58 PolarHBondContact O-N 2.92Å |
| 57 | V | 26.7 | Very low | 28 | Very low | 119 Ų | 119 | 135.7 Ų | 135.7 | 72% | 0.721 | 76% | 0.758 | S | S | * | * | | | trans | -62.3 | 98.6 | 166.2 | 176.4 | 0 | 0 | 0 | 0 | 107.5 | V55 S59 | V55-V57 HydrophobicContact CG1-CG2 4.46Å; V55-V57 PolarHBondContact O-N 3.46Å; V55-V57 VanDerWaalsContact O-N 3.15Å; V57-S59 VanDerWaalsContact C-N 3.25Å; V57-S59 PolarHBondContact O-N 3.45Å |
| 58 | V | 25.8 | Very low | 27.5 | Very low | 119 Ų | 119 | 135.9 Ų | 135.9 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | | | trans | -74.8 | 90 | 166 | -178.8 | 0 | 0 | 0 | 0 | 107.2 | V56 S60 | V56-V58 HydrophobicContact CG1-CG2 4.31Å; V56-V58 PolarHBondContact O-N 2.92Å; V58-S60 PolarHBondContact O-N 3.44Å; V58-S60 VanDerWaalsContact O-N 3.07Å |
| 59 | S | 24.9 | Very low | 27.2 | Very low | 87 Ų | 87 | 131.7 Ų | 131.7 | 61% | 0.608 | 77% | 0.767 | S | S | * | * | | | trans | -64.3 | 94.2 | 166 | 172.7 | 0 | 0 | 0 | 0 | 109.2 | V57 R61 | V57-S59 VanDerWaalsContact C-N 3.25Å; V57-S59 PolarHBondContact O-N 3.45Å; S59-R61 PolarHBondContact O-N 3.39Å |
| 60 | S | 25.8 | Very low | 26.9 | Very low | 105 Ų | 105 | 130.7 Ų | 130.7 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | | | trans | -88.6 | 93.6 | 161.4 | 49.2 | 0 | 0 | 0 | 0 | 108.5 | V58 C62 | V58-S60 PolarHBondContact O-N 3.44Å; V58-S60 VanDerWaalsContact O-N 3.07Å; S60-C62 PolarHBondContact O-N 2.97Å |
| 61 | R | 24 | Very low | 26.5 | Very low | 230 Ų | 230 | 130.6 Ų | 130.6 | 87% | 0.868 | 77% | 0.769 | S | S | * | * | | | trans | -60.4 | 95.3 | 168 | -71.3 | -177.8 | 176.9 | -173.8 | 0.1 | 109.9 | S59 | S59-R61 PolarHBondContact O-N 3.39Š|
| 62 | C | 23.4 | Very low | 26.3 | Very low | 119 Ų | 119 | 128.1 Ų | 128.1 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | | | trans | -136.8 | 95.9 | 154 | -75.2 | 0 | 0 | 0 | 0 | 108.8 | S60 L64 | S60-C62 PolarHBondContact O-N 2.97Å; C62-L64 PolarHBondContact O-N 3.39Å |
| 63 | S | 22.5 | Very low | 26.2 | Very low | 116 Ų | 116 | 126 Ų | 126 | 81% | 0.811 | 76% | 0.761 | S | S | * | * | | | trans | -3.5 | 112.3 | 152.7 | 153 | 0 | 0 | 0 | 0 | 115.4 | | |
| 64 | L | 27 | Very low | 26.2 | Very low | 165 Ų | 165 | 133.6 Ų | 133.6 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | | | trans | -149.5 | 106.9 | 144.4 | -103 | 138 | 0 | 0 | 0 | 109.3 | C62 | C62-L64 PolarHBondContact O-N 3.39Š|
| 65 | S | 25.3 | Very low | 26.1 | Very low | 93 Ų | 93 | 130.9 Ų | 130.9 | 65% | 0.65 | 77% | 0.771 | S | S | * | * | | | trans | -39.6 | 143.4 | 158.7 | 46.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 66 | T | 25.6 | Very low | 26.1 | Very low | 116 Ų | 116 | 135 Ų | 135 | 71% | 0.712 | 77% | 0.773 | S | S | * | * | | | trans | 78.1 | 95.8 | 161.3 | 5.4 | 0 | 0 | 0 | 0 | 116.3 | | |
| 67 | I | 29 | Very low | 26 | Very low | 158 Ų | 158 | 140 Ų | 140 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | | | | 176.1 | 113.6 | 108.8 | -80.7 | 149.4 | 0 | 0 | 0 | 106.7 | | |
| 68 | G | 23.3 | Very low | 26 | Very low | 71 Ų | 71 | 139.1 Ų | 139.1 | 73% | 0.732 | 79% | 0.79 | S | S | * | * | | | trans | -83 | 139.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 69 | V | 27.3 | Very low | 26 | Very low | 139 Ų | 139 | 137.6 Ų | 137.6 | 84% | 0.842 | 79% | 0.79 | S | S | * | * | | | trans | -141.2 | 114.5 | 140.4 | -175.2 | 0 | 0 | 0 | 0 | 107.3 | | |
| 70 | T | 25.5 | Very low | 26.2 | Very low | 132 Ų | 132 | 139.8 Ų | 139.8 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | | | trans | -68 | 133.7 | 172.7 | 38.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 71 | S | 27.2 | Very low | 26.4 | Very low | 117 Ų | 117 | 140.3 Ų | 140.3 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | trans | -157.4 | 88.5 | 143.2 | 62.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 72 | L | 27.8 | Very low | 26.6 | Very low | 171 Ų | 171 | 134.3 Ų | 134.3 | 90% | 0.895 | 80% | 0.801 | S | S | * | * | | | trans | -99.4 | 144.6 | 159 | -89.1 | 115.6 | 0 | 0 | 0 | 108.3 | | |
| 73 | P | 27.7 | Very low | 26.9 | Very low | 109 Ų | 109 | 132.3 Ų | 132.3 | 71% | 0.708 | 80% | 0.8 | S | S | * | * | | | trans | -117.8 | 130.3 | 147.5 | 31.5 | -19.7 | 0 | 0 | 0 | 111.8 | | |
| 74 | R | 28.7 | Very low | 27.3 | Very low | 236 Ų | 236 | 136.7 Ų | 136.7 | 89% | 0.891 | 81% | 0.805 | S | S | * | * | | | trans | 61.3 | 99.2 | 145.5 | -66.9 | 173.6 | 164.3 | 156.4 | -5 | 115.4 | | |
| 75 | S | 26.1 | Very low | 27.2 | Very low | 93 Ų | 93 | 137.2 Ų | 137.2 | 65% | 0.65 | 80% | 0.802 | S | S | * | * | | | | 166.9 | 128.3 | 76.8 | 34 | 0 | 0 | 0 | 0 | 102.8 | | |
| 76 | Y | 28.4 | Very low | 27.4 | Very low | 227 Ų | 227 | 144.7 Ų | 144.7 | 89% | 0.89 | 82% | 0.816 | S | S | * | * | | | | -173.1 | 125.5 | 90.2 | -84.9 | -87.7 | 0 | 0 | 0 | 106.2 | | |
| 77 | F | 24.5 | Very low | 27.6 | Very low | 219 Ų | 219 | 146.7 Ų | 146.7 | 96% | 0.961 | 82% | 0.822 | S | S | * | * | | | trans | -89.7 | 132.3 | 170 | -100.5 | -95.3 | 0 | 0 | 0 | 108.9 | | |
| 78 | A | 25.5 | Very low | 27.6 | Very low | 99 Ų | 99 | 144.2 Ų | 144.2 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | | | trans | -171 | 125.6 | 141.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 79 | A | 27.8 | Very low | 27.9 | Very low | 87 Ų | 87 | 152.9 Ų | 152.9 | 72% | 0.719 | 83% | 0.826 | S | S | * | * | | | trans | 67.1 | 95.6 | 157 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 80 | T | 29 | Very low | 27.8 | Very low | 134 Ų | 134 | 158 Ų | 158 | 82% | 0.822 | 83% | 0.831 | S | S | * | * | | | | 63.9 | 155.9 | 81.1 | 56.2 | 0 | 0 | 0 | 0 | 115.8 | | |
| 81 | P | 29.3 | Very low | 27.9 | Very low | 116 Ų | 116 | 156.7 Ų | 156.7 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | | | cis | -137.3 | 175.4 | -36.1 | 35.3 | -16.6 | 0 | 0 | 0 | 114.1 | | |
| 82 | A | 27.8 | Very low | 27.8 | Very low | 104 Ų | 104 | 162.5 Ų | 162.5 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | | | trans | 76.6 | 107.2 | 151 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 83 | G | 29.5 | Very low | 27.5 | Very low | 76 Ų | 76 | 163.3 Ų | 163.3 | 78% | 0.784 | 83% | 0.83 | S | S | * | * | | | trans | 169.7 | 60.1 | 164.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 84 | K | 31 | Very low | 27.3 | Very low | 209 Ų | 209 | 164.6 Ų | 164.6 | 91% | 0.909 | 84% | 0.839 | S | S | * | * | | | trans | 62.9 | 96.4 | 155.5 | -62.3 | 179.5 | -180 | 174.9 | 0 | 119 | | |
| 85 | H | 24.2 | Very low | 26.9 | Very low | 175 Ų | 175 | 158.5 Ų | 158.5 | 81% | 0.81 | 84% | 0.839 | S | S | * | * | | | trans | -57.3 | 135.1 | 154.3 | -87.2 | -92.1 | 0 | 0 | 0 | 113.3 | | |
| 86 | R | 30.4 | Very low | 26.8 | Very low | 250 Ų | 250 | 159.3 Ų | 159.3 | 94% | 0.943 | 85% | 0.845 | S | S | * | * | | | trans | -148.5 | 120.4 | 144.1 | -75.3 | -164.2 | 174 | 178.6 | -2.7 | 110.6 | | |
| 87 | L | 30.4 | Very low | 26.6 | Very low | 158 Ų | 158 | 157.1 Ų | 157.1 | 83% | 0.827 | 84% | 0.843 | S | S | * | * | | | trans | -89.7 | 166.1 | 173.2 | -87.7 | 158.6 | 0 | 0 | 0 | 111.3 | | |
| 88 | P | 29 | Very low | 26.5 | Very low | 107 Ų | 107 | 150.9 Ų | 150.9 | 70% | 0.695 | 83% | 0.826 | S | S | * | * | | | trans | -99.6 | 160.1 | -140.7 | 38.2 | -35.8 | 0 | 0 | 0 | 115.7 | | |
| 89 | R | 28.1 | Very low | 26.4 | Very low | 252 Ų | 252 | 151.2 Ų | 151.2 | 95% | 0.951 | 83% | 0.828 | S | S | * | * | | | trans | -110.5 | 103.3 | 169.6 | -76.8 | -175.2 | 173.8 | 176.9 | -2.2 | 111.3 | | |
| 90 | R | 26.5 | Very low | 26.4 | Very low | 246 Ų | 246 | 155.3 Ų | 155.3 | 93% | 0.928 | 83% | 0.83 | S | S | * | * | | | trans | 39.2 | 156.6 | 139.4 | -81.9 | -164.2 | -178.5 | -174.5 | 2 | 123 | | |
| 91 | P | 27.7 | Very low | 26.1 | Very low | 105 Ų | 105 | 155.1 Ų | 155.1 | 68% | 0.682 | 83% | 0.829 | S | S | * | * | | | trans | -110 | 161.3 | -132 | 41.1 | -34 | 0 | 0 | 0 | 115.2 | | |
| 92 | Y | 24.8 | Very low | 25.9 | Very low | 240 Ų | 240 | 156.6 Ų | 156.6 | 94% | 0.941 | 83% | 0.83 | S | S | * | * | | | trans | -139 | 130.7 | 158.9 | -91 | -84.5 | 0 | 0 | 0 | 111 | | |
| 93 | Q | 22.1 | Very low | 25.8 | Very low | 188 Ų | 188 | 159.4 Ų | 159.4 | 88% | 0.879 | 83% | 0.825 | S | S | * | * | | | trans | -71.7 | 140.9 | 174.6 | -74.5 | 164.9 | -42.2 | 0 | 0 | 111.1 | | |
| 94 | C | 22.4 | Very low | 25.6 | Very low | 135 Ų | 135 | 160.3 Ų | 160.3 | 91% | 0.912 | 82% | 0.815 | S | S | * | * | | | trans | -159.4 | 132.2 | 143.9 | -100.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 95 | A | 20.4 | Very low | 25.5 | Very low | 108 Ų | 108 | 155.7 Ų | 155.7 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | | | trans | -79.4 | 134.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 96 | S | 24.8 | Very low | 25.7 | Very low | 110 Ų | 110 | 152.5 Ų | 152.5 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | | | trans | -151 | 129.4 | 153.8 | 62.5 | 0 | 0 | 0 | 0 | 109.4 | C98 | S96-C98 PolarHBondContact O-N 3.22Š|
| 97 | E | 22.7 | Very low | 25.6 | Very low | 182 Ų | 182 | 144.2 Ų | 144.2 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | | | trans | -56.8 | 122.4 | -171.4 | -60.6 | 165.6 | 148.9 | 0 | 0 | 112.9 | | |
| 98 | C | 24 | Very low | 25.5 | Very low | 88 Ų | 88 | 146.9 Ų | 146.9 | 60% | 0.595 | 78% | 0.776 | S | S | * | * | | | trans | -114 | 103.9 | 164.3 | -70.1 | 0 | 0 | 0 | 0 | 108.6 | S96 F100 | S96-C98 PolarHBondContact O-N 3.22Å; C98-F100 HydrophobicContact CB-CD2 3.9Å; C98-F100 HydrophobicContact CB-CE1 4.33Å; C98-F100 HydrophobicContact CB-CE2 3.18Å; C98-F100 HydrophobicContact CB-CZ 3.45Å; C98-F100 VanDerWaalsContact CB-CZ 3.45Å; C98-F100 WeakPolarHBondContact O-CD2 3.37Å; C98-F100 PolarHBondContact O-N 2.99Å |
| 99 | A | 22.6 | Very low | 25.7 | Very low | 105 Ų | 105 | 149.4 Ų | 149.4 | 87% | 0.868 | 78% | 0.783 | S | S | * | * | | | trans | -74.9 | 109.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 100 | F | 27.1 | Very low | 26 | Very low | 173 Ų | 173 | 144.5 Ų | 144.5 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | | | trans | -106.2 | 109.8 | 173.4 | -61.6 | -77.8 | 0 | 0 | 0 | 109.5 | C98 L102 | C98-F100 HydrophobicContact CB-CD2 3.9Å; C98-F100 HydrophobicContact CB-CE1 4.33Å; C98-F100 HydrophobicContact CB-CE2 3.18Å; C98-F100 HydrophobicContact CB-CZ 3.45Å; C98-F100 VanDerWaalsContact CB-CZ 3.45Å; C98-F100 WeakPolarHBondContact O-CD2 3.37Å; C98-F100 PolarHBondContact O-N 2.99Å; F100-L102 PolarHBondContact O-N 2.92Å |
| 101 | T | 24.1 | Very low | 26.4 | Very low | 131 Ų | 131 | 138 Ų | 138 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | | | trans | -86.4 | 101.4 | 163.2 | 23.8 | 0 | 0 | 0 | 0 | 108.8 | H103 | T101-H103 PolarHBondContact O-N 2.91Š|
| 102 | L | 23.9 | Very low | 26.8 | Very low | 147 Ų | 147 | 141 Ų | 141 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | | | trans | -90.8 | 94.5 | 175.6 | -155.1 | 128.3 | 0 | 0 | 0 | 108.6 | F100 V104 | F100-L102 PolarHBondContact O-N 2.92Å; L102-V104 HydrophobicContact CD2-CB 4.19Å; L102-V104 HydrophobicContact CD2-CG2 3.42Å; L102-V104 VanDerWaalsContact CD2-CG2 3.42Å; L102-V104 HydrophobicContact CG-CG2 4.33Å; L102-V104 PolarHBondContact O-N 3.31Å |
| 103 | H | 26.2 | Very low | 27.4 | Very low | 163 Ų | 163 | 137.2 Ų | 137.2 | 76% | 0.755 | 74% | 0.744 | S | S | * | * | | | trans | -85 | 86.6 | 171 | -89.2 | -84.1 | 0 | 0 | 0 | 109.6 | T101 | T101-H103 PolarHBondContact O-N 2.91Š|
| 104 | V | 25.4 | Very low | 28.2 | Very low | 94 Ų | 94 | 135.6 Ų | 135.6 | 57% | 0.57 | 74% | 0.735 | S | S | * | * | | | trans | -99.3 | 90.9 | 161.8 | 175.1 | 0 | 0 | 0 | 0 | 106.8 | L102 T106 | L102-V104 HydrophobicContact CD2-CB 4.19Å; L102-V104 HydrophobicContact CD2-CG2 3.42Å; L102-V104 VanDerWaalsContact CD2-CG2 3.42Å; L102-V104 HydrophobicContact CG-CG2 4.33Å; L102-V104 PolarHBondContact O-N 3.31Å; V104-T106 VanDerWaalsContact C-N 3.3Å; V104-T106 HydrophobicContact CG1-CG2 3.88Å; V104-T106 VanDerWaalsContact CG1-OG1 3.29Å; V104-T106 WeakPolarHBondContact CG1-OG1 3.43Å; V104-T106 PolarHBondContact O-N 3.49Å |
| 105 | V | 27.7 | Very low | 29 | Very low | 112 Ų | 112 | 134.3 Ų | 134.3 | 68% | 0.679 | 72% | 0.718 | S | S | * | * | | | trans | -97.6 | 67.1 | 166.3 | -172.1 | 0 | 0 | 0 | 0 | 107.1 | | |
| 106 | T | 28.8 | Very low | 29.9 | Very low | 108 Ų | 108 | 135.7 Ų | 135.7 | 66% | 0.663 | 71% | 0.709 | S | S | * | * | | | trans | -86.3 | 120.2 | 164.6 | 48.2 | 0 | 0 | 0 | 0 | 108.2 | V104 | V104-T106 VanDerWaalsContact C-N 3.3Å; V104-T106 HydrophobicContact CG1-CG2 3.88Å; V104-T106 VanDerWaalsContact CG1-OG1 3.29Å; V104-T106 WeakPolarHBondContact CG1-OG1 3.43Å; V104-T106 PolarHBondContact O-N 3.49Å |
| 107 | S | 28.3 | Very low | 30.6 | Very low | 77 Ų | 77 | 137 Ų | 137 | 54% | 0.538 | 70% | 0.703 | S | S | . | * | | | trans | 77.2 | 51.5 | 155.9 | -39.8 | 0 | 0 | 0 | 0 | 118.3 | L109 | S107-L109 VanDerWaalsContact C-N 3.32Š|
| 108 | R | 29.7 | Very low | 31.4 | Very low | 214 Ų | 214 | 135.1 Ų | 135.1 | 81% | 0.808 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -87.4 | 9.4 | 165.6 | -127.3 | -179.1 | -176.2 | -169.5 | 1.9 | 114.9 | | |
| 109 | L | 32.4 | Very low | 31.8 | Very low | 160 Ų | 160 | 136 Ų | 136 | 84% | 0.838 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -115.2 | -6.2 | -178.2 | -93.4 | 155.1 | 0 | 0 | 0 | 115.7 | S107 | S107-L109 VanDerWaalsContact C-N 3.32Š|
| 110 | E | 34.2 | Very low | 32.6 | Very low | 148 Ų | 148 | 138.2 Ų | 138.2 | 69% | 0.692 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -107.4 | -8.4 | 174.1 | -77.1 | -171.4 | 141 | 0 | 0 | 114.6 | | |
| 111 | I | 35.4 | Very low | 33.1 | Very low | 111 Ų | 111 | 136.8 Ų | 136.8 | 57% | 0.569 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -92.9 | -24.3 | 179.1 | -60.8 | 173.4 | 0 | 0 | 0 | 111.8 | L115 | I111-L115 HydrophobicContact CG2-CD1 4.07Å; I111-L115 PolarHBondContact O-N 3.45Å |
| 112 | K | 36.5 | Very low | 33.6 | Very low | 166 Ų | 166 | 140.6 Ų | 140.6 | 72% | 0.722 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -80.3 | -21.8 | 174.7 | -85.6 | -172.9 | 172 | -173.7 | 0 | 114.2 | | |
| 113 | K | 36.5 | Very low | 33.9 | Very low | 162 Ų | 162 | 142.5 Ų | 142.5 | 70% | 0.704 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -81.1 | -36 | 176.3 | -144 | 175.4 | -178.2 | -176.7 | 0 | 111.8 | E117 | K113-E117 PolarHBondContact O-N 3.02Å |
| 114 | K | 39.4 | Very low | 34.1 | Very low | 154 Ų | 154 | 140 Ų | 140 | 67% | 0.67 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -74.2 | -24.1 | 174.6 | -74.8 | -176.5 | 175.8 | 178.1 | 0 | 114.7 | Q118 | K114-Q118 PolarHBondContact O-N 3.41Å |
| 115 | L | 38.7 | Very low | 34.5 | Very low | 108 Ų | 108 | 143.5 Ų | 143.5 | 57% | 0.565 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -81.5 | -25 | 174.3 | -85.7 | 161.6 | 0 | 0 | 0 | 113.6 | I111 | I111-L115 HydrophobicContact CG2-CD1 4.07Å; I111-L115 PolarHBondContact O-N 3.45Å |
| 116 | L | 40.4 | Very low | 34.7 | Very low | 136 Ų | 136 | 144.7 Ų | 144.7 | 71% | 0.712 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -82.6 | -31.2 | 175.1 | -126.4 | 87.9 | 0 | 0 | 0 | 112.6 | C119 | L116-C119 PolarHBondContact O-N 3.34Å |
| 117 | E | 38.2 | Very low | 34.8 | Very low | 137 Ų | 137 | 149.9 Ų | 149.9 | 64% | 0.64 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -75.1 | -26.6 | 176.1 | -116.5 | 168.9 | 171.3 | 0 | 0 | 113.3 | K113 | K113-E117 PolarHBondContact O-N 3.02Å |
| 118 | Q | 39.3 | Very low | 35.1 | Very low | 144 Ų | 144 | 150.6 Ų | 150.6 | 67% | 0.673 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -16 | 173.2 | -80.2 | -165.2 | -24.6 | 0 | 0 | 114.1 | K114 | K114-Q118 PolarHBondContact O-N 3.41Š|
| 119 | C | 34.2 | Very low | 35.2 | Very low | 106 Ų | 106 | 149.2 Ų | 149.2 | 72% | 0.716 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -23.7 | 176.7 | -94.8 | 0 | 0 | 0 | 0 | 113.9 | L116 | L116-C119 PolarHBondContact O-N 3.34Š|
| 120 | N | 37.8 | Very low | 35 | Very low | 152 Ų | 152 | 147.7 Ų | 147.7 | 81% | 0.813 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -88.9 | -5.6 | -179.3 | -99.2 | -9.5 | 0 | 0 | 0 | 114.4 | | |
| 121 | N | 37.6 | Very low | 34.6 | Very low | 142 Ų | 142 | 146 Ų | 146 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -123.4 | 15 | -171.2 | -97.2 | -23 | 0 | 0 | 0 | 115.2 | | |
| 122 | R | 34.4 | Very low | 34.2 | Very low | 211 Ų | 211 | 146 Ų | 146 | 80% | 0.796 | 76% | 0.756 | S | S | * | * | | | trans | -127.4 | 98 | 172.7 | -77.5 | -168.2 | 174.5 | -166.8 | -0.9 | 112.3 | | |
| 123 | Q | 30.9 | Very low | 33.8 | Very low | 188 Ų | 188 | 144.8 Ų | 144.8 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | | | trans | -45.2 | 142.9 | 150.7 | -71.5 | 172.2 | -15.5 | 0 | 0 | 110.2 | | |
| 124 | S | 31.5 | Very low | 33.3 | Very low | 109 Ų | 109 | 142.1 Ų | 142.1 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | | | trans | 71.5 | 92.7 | 174.8 | 78.2 | 0 | 0 | 0 | 0 | 115.9 | | |
| 125 | L | 33.1 | Very low | 32.9 | Very low | 169 Ų | 169 | 140.5 Ų | 140.5 | 89% | 0.885 | 78% | 0.777 | S | S | * | * | | | trans | -162.2 | 140.8 | 145.6 | -98.7 | 144.5 | 0 | 0 | 0 | 108.6 | | |
| 126 | N | 30.8 | Very low | 32.4 | Very low | 136 Ų | 136 | 141.9 Ų | 141.9 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | trans | -57.3 | 136 | -152.7 | -80.9 | -45.9 | 0 | 0 | 0 | 117.2 | S128 | N126-S128 PolarHBondContact O-N 2.95Š|
| 127 | K | 31.9 | Very low | 32.1 | Very low | 218 Ų | 218 | 143.9 Ų | 143.9 | 95% | 0.948 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | 14 | 172.4 | -86.3 | -179.6 | 173.7 | 177.4 | 0 | 115.8 | | |
| 128 | S | 34.9 | Very low | 31.6 | Very low | 92 Ų | 92 | 144.4 Ų | 144.4 | 64% | 0.643 | 80% | 0.797 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.2 | 8.7 | -171.5 | 55.7 | 0 | 0 | 0 | 0 | 115.5 | N126 | N126-S128 PolarHBondContact O-N 2.95Š|
| 129 | Q | 32.1 | Very low | 31.1 | Very low | 185 Ų | 185 | 143.6 Ų | 143.6 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -114.5 | 7.4 | 178.6 | -76.7 | -174.6 | -15 | 0 | 0 | 115.3 | | |
| 130 | C | 26.6 | Very low | 30.8 | Very low | 127 Ų | 127 | 143.1 Ų | 143.1 | 86% | 0.858 | 80% | 0.8 | S | S | * | * | | | trans | -105.7 | 89.8 | 170.8 | -75.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 131 | C | 26.5 | Very low | 30.4 | Very low | 112 Ų | 112 | 144.1 Ų | 144.1 | 76% | 0.757 | 80% | 0.804 | S | S | * | * | | | trans | -111.8 | 123.8 | 169.4 | -76.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 132 | S | 26.8 | Very low | 29.8 | Very low | 111 Ų | 111 | 140.7 Ų | 140.7 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | | | trans | 80.9 | 96.4 | 141.7 | -44.1 | 0 | 0 | 0 | 0 | 119.2 | | |
| 133 | C | 27.7 | Very low | 29.3 | Very low | 141 Ų | 141 | 139.7 Ų | 139.7 | 95% | 0.953 | 81% | 0.806 | S | S | * | * | | | trans | -157.2 | 77.9 | 142.5 | -85.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 134 | S | 25.6 | Very low | 29.1 | Very low | 106 Ų | 106 | 136.3 Ų | 136.3 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | | | trans | -97.7 | 134.5 | 162.1 | -164.7 | 0 | 0 | 0 | 0 | 107.3 | | |
| 135 | S | 32.5 | Very low | 28.8 | Very low | 121 Ų | 121 | 137.6 Ų | 137.6 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | | | trans | -143 | 96.2 | 170.4 | -70.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 136 | D | 27.4 | Very low | 28.6 | Very low | 136 Ų | 136 | 134.8 Ų | 134.8 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | | | trans | -62.8 | 131 | 149.4 | -66.1 | -60 | 0 | 0 | 0 | 109.1 | | |
| 137 | H | 34.7 | Very low | 28.3 | Very low | 178 Ų | 178 | 139.7 Ų | 139.7 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | | | | 165.1 | 117.7 | 122.2 | -95.4 | -72.8 | 0 | 0 | 0 | 112.8 | | |
| 138 | N | 26.9 | Very low | 28 | Very low | 148 Ų | 148 | 133.3 Ų | 133.3 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | | | trans | -49.9 | 128.4 | 144.4 | -84.9 | -34 | 0 | 0 | 0 | 110.1 | | |
| 139 | T | 30.1 | Very low | 27.6 | Very low | 128 Ų | 128 | 133.2 Ų | 133.2 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | | | | 171.7 | 127.7 | 115.4 | 36.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 140 | S | 28 | Very low | 27.2 | Very low | 96 Ų | 96 | 132.1 Ų | 132.1 | 67% | 0.671 | 80% | 0.804 | S | S | * | * | | | trans | 16.2 | 128.9 | 146.6 | 58.2 | 0 | 0 | 0 | 0 | 122.6 | | |
| 141 | I | 28 | Very low | 27.2 | Very low | 173 Ų | 173 | 132.1 Ų | 132.1 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | | | trans | 64.3 | 122.8 | 132.5 | -53.7 | 165.6 | 0 | 0 | 0 | 117.6 | | |
| 142 | G | 25.2 | Very low | 27.1 | Very low | 70 Ų | 70 | 132.8 Ų | 132.8 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | | | trans | 113.9 | 124.9 | 155.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 143 | E | 25.2 | Very low | 27.2 | Very low | 190 Ų | 190 | 133.4 Ų | 133.4 | 89% | 0.888 | 81% | 0.81 | S | S | * | * | | | trans | -13.1 | 149.7 | 166 | -63.4 | 170.9 | 149.6 | 0 | 0 | 119.1 | | |
| 144 | S | 26.3 | Very low | 27.1 | Very low | 116 Ų | 116 | 133.4 Ų | 133.4 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | | | trans | 110.1 | 102.3 | 161.4 | 75.5 | 0 | 0 | 0 | 0 | 117.2 | | |
| 145 | V | 25.4 | Very low | 27.2 | Very low | 136 Ų | 136 | 132.9 Ų | 132.9 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | | | trans | -3.1 | 129.2 | 139.5 | -169.4 | 0 | 0 | 0 | 0 | 114.9 | | |
| 146 | V | 27.2 | Very low | 27 | Very low | 110 Ų | 110 | 133.3 Ų | 133.3 | 67% | 0.667 | 81% | 0.805 | S | S | * | * | | | | 167.7 | 122 | 124.8 | 157.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 147 | R | 25.3 | Very low | 27 | Very low | 240 Ų | 240 | 131.8 Ų | 131.8 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | | | trans | 66.5 | 111.5 | 148.2 | -73.1 | 168.9 | -177 | 158.8 | -3.3 | 121.3 | | |
| 148 | G | 25.3 | Very low | 26.7 | Very low | 83 Ų | 83 | 128.2 Ų | 128.2 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | | | trans | -144.1 | 113.5 | 143.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 149 | A | 25.9 | Very low | 26.8 | Very low | 91 Ų | 91 | 128 Ų | 128 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | | | trans | -85.3 | 138.3 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 150 | L | 24.5 | Very low | 26.8 | Very low | 161 Ų | 161 | 125.2 Ų | 125.2 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | | | trans | 50 | 105.8 | 140.2 | -81.3 | 131.2 | 0 | 0 | 0 | 119.7 | | |
| 151 | C | 26.1 | Very low | 26.8 | Very low | 128 Ų | 128 | 132.4 Ų | 132.4 | 87% | 0.865 | 81% | 0.811 | S | S | * | * | | | trans | -157.9 | 94.5 | 131.9 | -102.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 152 | C | 25.2 | Very low | 26.8 | Very low | 125 Ų | 125 | 131 Ų | 131 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | S | Bend | trans | 57.2 | 146.8 | 155.3 | -61.7 | 0 | 0 | 0 | 0 | 121.1 | | |
| 153 | P | 28.2 | Very low | 27 | Very low | 124 Ų | 124 | 133.8 Ų | 133.8 | 81% | 0.805 | 81% | 0.807 | S | S | * | * | | | cis | -117.7 | 146.7 | -42.4 | 33.4 | -18.6 | 0 | 0 | 0 | 111.4 | | |
| 154 | T | 26.3 | Very low | 27.4 | Very low | 142 Ų | 142 | 132.4 Ų | 132.4 | 87% | 0.871 | 80% | 0.798 | S | S | * | * | | | trans | -55.3 | 141.9 | -172 | -14.8 | 0 | 0 | 0 | 0 | 114.5 | | |
| 155 | A | 27 | Very low | 27.9 | Very low | 95 Ų | 95 | 131.9 Ų | 131.9 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | | | trans | -48.8 | 132 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | S157 | A155-S157 PolarHBondContact O-N 3.33Š|
| 156 | V | 27.9 | Very low | 28.4 | Very low | 130 Ų | 130 | 130.1 Ų | 130.1 | 79% | 0.788 | 78% | 0.783 | S | S | * | * | | | trans | -73 | 106.4 | 165.4 | -179.9 | 0 | 0 | 0 | 0 | 106.8 | | |
| 157 | S | 27.2 | Very low | 28.7 | Very low | 103 Ų | 103 | 131 Ų | 131 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | | | trans | -82 | 118.2 | 163.8 | -176.1 | 0 | 0 | 0 | 0 | 107.8 | A155 | A155-S157 PolarHBondContact O-N 3.33Š|
| 158 | P | 28.7 | Very low | 29.1 | Very low | 103 Ų | 103 | 124.9 Ų | 124.9 | 67% | 0.669 | 79% | 0.785 | S | S | * | * | | | trans | -76.5 | 140.6 | 167.7 | 33.5 | -28.3 | 0 | 0 | 0 | 107 | | |
| 159 | V | 29 | Very low | 29.2 | Very low | 145 Ų | 145 | 129.5 Ų | 129.5 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | | | trans | 82.1 | 96.5 | 173.9 | -160.9 | 0 | 0 | 0 | 0 | 114.9 | | |
| 160 | G | 30.1 | Very low | 29.4 | Very low | 69 Ų | 69 | 134.1 Ų | 134.1 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | | | trans | 179.1 | 94.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L162 | G160-L162 PolarHBondContact O-N 3Š|
| 161 | R | 27.9 | Very low | 29.6 | Very low | 247 Ų | 247 | 132.8 Ų | 132.8 | 93% | 0.932 | 79% | 0.789 | S | S | * | * | | | trans | -59.1 | 114.1 | 172 | -90.2 | 178.1 | 169 | 172.3 | -4.3 | 109.8 | | |
| 162 | L | 28.7 | Very low | 29.8 | Very low | 142 Ų | 142 | 133.4 Ų | 133.4 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | | | trans | -103.4 | 101.2 | 160.8 | -85.8 | 159.3 | 0 | 0 | 0 | 108.1 | G160 F164 | G160-L162 PolarHBondContact O-N 3Å; L162-F164 HydrophobicContact CB-CD2 4.18Å; L162-F164 HydrophobicContact CB-CE2 3.89Å; L162-F164 HydrophobicContact CD1-CE2 4.39Å; L162-F164 HydrophobicContact CD2-CE2 4.23Å; L162-F164 HydrophobicContact CD2-CZ 4.47Å; L162-F164 HydrophobicContact CG-CE2 4.4Å; L162-F164 PolarHBondContact O-N 3.1Å |
| 163 | V | 29.3 | Very low | 29.9 | Very low | 129 Ų | 129 | 138.3 Ų | 138.3 | 78% | 0.782 | 79% | 0.789 | S | S | * | * | | | trans | -79.6 | 109.6 | 167.4 | 177.5 | 0 | 0 | 0 | 0 | 106.6 | | |
| 164 | F | 32.9 | Very low | 29.9 | Very low | 161 Ų | 161 | 137.3 Ų | 137.3 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 129.8 | 167.7 | -80.7 | -84.5 | 0 | 0 | 0 | 109 | L162 | L162-F164 HydrophobicContact CB-CD2 4.18Å; L162-F164 HydrophobicContact CB-CE2 3.89Å; L162-F164 HydrophobicContact CD1-CE2 4.39Å; L162-F164 HydrophobicContact CD2-CE2 4.23Å; L162-F164 HydrophobicContact CD2-CZ 4.47Å; L162-F164 HydrophobicContact CG-CE2 4.4Å; L162-F164 PolarHBondContact O-N 3.1Å |
| 165 | P | 38 | Very low | 29.9 | Very low | 106 Ų | 106 | 134.2 Ų | 134.2 | 69% | 0.688 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 147.4 | 172.8 | 28.5 | -32.5 | 0 | 0 | 0 | 110.4 | | |
| 166 | P | 35.5 | Very low | 29.8 | Very low | 98 Ų | 98 | 141.2 Ų | 141.2 | 64% | 0.636 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 147.4 | 176.4 | 27.2 | -32.9 | 0 | 0 | 0 | 110.7 | S168 | P166-S168 PolarHBondContact O-N 3.43Å; P166-S168 VanDerWaalsContact O-N 3.11Å |
| 167 | P | 34.1 | Very low | 29.8 | Very low | 128 Ų | 128 | 145.7 Ų | 145.7 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | | | trans | -73.3 | 108.4 | -173.7 | 29.3 | -32.6 | 0 | 0 | 0 | 110.5 | Q169 | P167-Q169 PolarHBondContact O-N 3.1Š|
| 168 | S | 33.3 | Very low | 29.8 | Very low | 112 Ų | 112 | 151.4 Ų | 151.4 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | | | trans | -70.2 | 117.8 | 162.9 | 42.8 | 0 | 0 | 0 | 0 | 109.6 | P166 H170 | P166-S168 PolarHBondContact O-N 3.43Å; P166-S168 VanDerWaalsContact O-N 3.11Å; S168-H170 PolarHBondContact O-N 3.32Å |
| 169 | Q | 27.6 | Very low | 29.6 | Very low | 180 Ų | 180 | 153.1 Ų | 153.1 | 84% | 0.841 | 82% | 0.815 | S | S | * | * | | | trans | -55 | 120.3 | 172.9 | -65.6 | 172.2 | -8.5 | 0 | 0 | 110.8 | P167 | P167-Q169 PolarHBondContact O-N 3.1Š|
| 170 | H | 30.6 | Very low | 29.6 | Very low | 189 Ų | 189 | 157.1 Ų | 157.1 | 88% | 0.875 | 81% | 0.814 | S | S | * | * | | | trans | -140.7 | 116.1 | 150.3 | -92 | -72.9 | 0 | 0 | 0 | 110.5 | S168 | S168-H170 PolarHBondContact O-N 3.32Š|
| 171 | V | 27 | Very low | 29.7 | Very low | 133 Ų | 133 | 163.2 Ų | 163.2 | 81% | 0.806 | 82% | 0.824 | S | S | * | * | | | trans | -63.1 | 119.3 | 170.1 | 173.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 172 | V | 30.8 | Very low | 29.7 | Very low | 141 Ų | 141 | 160.1 Ų | 160.1 | 86% | 0.855 | 82% | 0.82 | S | S | * | * | | | trans | -146.6 | 117.1 | 144.8 | -173.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 173 | R | 28.6 | Very low | 29.6 | Very low | 228 Ų | 228 | 158 Ų | 158 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | | | trans | -15.9 | 134.6 | 160.8 | -84.8 | 170.9 | 171 | 156 | -2.7 | 119.6 | | |
| 174 | A | 26.4 | Very low | 29.6 | Very low | 103 Ų | 103 | 155.5 Ų | 155.5 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | | | | 58 | 110.3 | 125.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 175 | G | 26.7 | Very low | 29.4 | Very low | 77 Ų | 77 | 152.1 Ų | 152.1 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | | | trans | -176.8 | 87.8 | 161.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | R177 | G175-R177 PolarHBondContact O-N 3Š|
| 176 | R | 25.6 | Very low | 29 | Very low | 242 Ų | 242 | 158.9 Ų | 158.9 | 91% | 0.913 | 83% | 0.83 | S | S | * | * | | | trans | -52.1 | 124.7 | 161.6 | -81.3 | 175.1 | 171.6 | 171.1 | -3.3 | 108.7 | | |
| 177 | R | 27.7 | Very low | 28.6 | Very low | 223 Ų | 223 | 161.2 Ų | 161.2 | 84% | 0.842 | 84% | 0.836 | S | S | * | * | | | trans | 162.3 | 126.5 | 130.6 | -87.8 | 160.3 | -171.4 | -151.7 | 3.9 | 112.2 | G175 | G175-R177 PolarHBondContact O-N 3Š|
| 178 | R | 28.3 | Very low | 28.5 | Very low | 223 Ų | 223 | 164.1 Ų | 164.1 | 84% | 0.842 | 84% | 0.839 | S | S | * | * | | | trans | 64 | 117.1 | 147.6 | -63 | -175.6 | -168.7 | -176.8 | 3.4 | 118.3 | R180 | R178-R180 PolarHBondContact O-N 3.02Š|
| 179 | C | 24.2 | Very low | 28.4 | Very low | 139 Ų | 139 | 164.5 Ų | 164.5 | 94% | 0.939 | 84% | 0.836 | S | S | * | * | | | trans | -39.8 | 106.2 | 155.5 | -55.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 180 | R | 29.2 | Very low | 28.7 | Very low | 229 Ų | 229 | 164.7 Ų | 164.7 | 86% | 0.864 | 84% | 0.837 | S | S | * | * | | | trans | -115.3 | 116.8 | 156.1 | -91.4 | -173.2 | 171.4 | 171.8 | -2.4 | 106.8 | R178 Q182 | R178-R180 PolarHBondContact O-N 3.02Å; R180-Q182 VanDerWaalsContact C-N 3.31Å; R180-Q182 PolarHBondContact O-N 3.14Å |
| 181 | Q | 30.6 | Very low | 28.9 | Very low | 197 Ų | 197 | 162.5 Ų | 162.5 | 92% | 0.921 | 84% | 0.837 | S | S | * | * | | | trans | -56.1 | 95.4 | 166 | -69.3 | 168.3 | -15.9 | 0 | 0 | 108.1 | | |
| 182 | Q | 28 | Very low | 29 | Very low | 182 Ų | 182 | 159.4 Ų | 159.4 | 85% | 0.85 | 83% | 0.832 | S | S | * | * | | | trans | -96.3 | 87.4 | 154.8 | -80.7 | -177.8 | -26.8 | 0 | 0 | 105.8 | R180 A184 | R180-Q182 VanDerWaalsContact C-N 3.31Å; R180-Q182 PolarHBondContact O-N 3.14Å; Q182-A184 PolarHBondContact O-N 3.48Å |
| 183 | A | 27.5 | Very low | 29.2 | Very low | 98 Ų | 98 | 163.5 Ų | 163.5 | 81% | 0.81 | 83% | 0.832 | S | S | * | * | | | trans | -64.1 | 95.8 | 156.1 | 0 | 0 | 0 | 0 | 0 | 105.6 | A185 | A183-A185 PolarHBondContact O-N 3.27Å; A183-A185 VanDerWaalsContact O-N 3.15Å |
| 184 | A | 28.4 | Very low | 29.4 | Very low | 77 Ų | 77 | 157.6 Ų | 157.6 | 64% | 0.636 | 83% | 0.832 | S | S | * | * | | | trans | -54.6 | 120.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | Q182 W186 | Q182-A184 PolarHBondContact O-N 3.48Å; A184-W186 PolarHBondContact O-N 3.13Å; A184-W186 VanDerWaalsContact O-N 3.07Å |
| 185 | A | 28.6 | Very low | 29.8 | Very low | 89 Ų | 89 | 163.3 Ų | 163.3 | 74% | 0.736 | 83% | 0.833 | S | S | * | * | | | trans | -53.7 | 111.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | A183 L187 | A183-A185 PolarHBondContact O-N 3.27Å; A183-A185 VanDerWaalsContact O-N 3.15Å; A185-L187 PolarHBondContact O-N 3.19Å; A185-L187 VanDerWaalsContact O-N 3.12Å |
| 186 | W | 30.6 | Very low | 30.3 | Very low | 248 Ų | 248 | 167.9 Ų | 167.9 | 94% | 0.939 | 83% | 0.834 | S | S | * | * | | | trans | -73.5 | 102.9 | 165.6 | -69.9 | 88.6 | 0 | 0 | 0 | 106.7 | A184 Q188 | A184-W186 PolarHBondContact O-N 3.13Å; A184-W186 VanDerWaalsContact O-N 3.07Å; W186-Q188 PolarHBondContact O-N 3.15Å |
| 187 | L | 27.5 | Very low | 31.1 | Very low | 148 Ų | 148 | 161.1 Ų | 161.1 | 78% | 0.775 | 82% | 0.821 | S | S | * | * | | | trans | -54.5 | 125 | 168.1 | -115.2 | 84.6 | 0 | 0 | 0 | 108.7 | A185 V189 | A185-L187 PolarHBondContact O-N 3.19Å; A185-L187 VanDerWaalsContact O-N 3.12Å; L187-V189 PolarHBondContact O-N 3.31Å; L187-V189 VanDerWaalsContact O-N 3.14Å |
| 188 | Q | 31.8 | Very low | 31.5 | Very low | 188 Ų | 188 | 156.7 Ų | 156.7 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | | | trans | -63.4 | 109.5 | 161.8 | -77.7 | -174.3 | -35.1 | 0 | 0 | 107.9 | W186 E190 | W186-Q188 PolarHBondContact O-N 3.15Å; Q188-E190 PolarHBondContact O-N 3.37Å |
| 189 | V | 31.6 | Very low | 31.9 | Very low | 121 Ų | 121 | 156 Ų | 156 | 73% | 0.733 | 82% | 0.817 | S | S | * | * | | | trans | -79.2 | 105.1 | 164.3 | 177.4 | 0 | 0 | 0 | 0 | 106.3 | L187 T191 | L187-V189 PolarHBondContact O-N 3.31Å; L187-V189 VanDerWaalsContact O-N 3.14Å; V189-T191 PolarHBondContact O-N 3.11Å |
| 190 | E | 34.1 | Very low | 32.4 | Very low | 183 Ų | 183 | 160.7 Ų | 160.7 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | | | trans | -51.4 | 105.7 | 164.9 | -80.6 | 179.9 | 135.1 | 0 | 0 | 109.2 | Q188 G192 | Q188-E190 PolarHBondContact O-N 3.37Å; E190-G192 PolarHBondContact O-N 3.42Å |
| 191 | T | 33.7 | Very low | 32.7 | Very low | 144 Ų | 144 | 158.2 Ų | 158.2 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | | | trans | -73.8 | 72.6 | 163.4 | 46.5 | 0 | 0 | 0 | 0 | 108.5 | V189 | V189-T191 PolarHBondContact O-N 3.11Š|
| 192 | G | 30 | Very low | 33.1 | Very low | 67 Ų | 67 | 154.6 Ų | 154.6 | 69% | 0.691 | 81% | 0.807 | S | S | * | * | | | trans | -110.3 | 14.2 | -178 | 0 | 0 | 0 | 0 | 0 | 114.8 | E190 | E190-G192 PolarHBondContact O-N 3.42Š|
| 193 | R | 34.2 | Very low | 33.6 | Very low | 228 Ų | 228 | 152.1 Ų | 152.1 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -129.7 | 120.8 | 175.8 | -73.3 | -171.5 | 178.5 | 178 | 0.4 | 112.3 | Y195 | R193-Y195 PolarHBondContact O-N 3.25Š|
| 194 | A | 32.5 | Very low | 34.1 | Very low | 104 Ų | 104 | 154.5 Ų | 154.5 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | | | trans | -55.1 | 112 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 195 | Y | 34.9 | Very low | 34.5 | Very low | 223 Ų | 223 | 158.3 Ų | 158.3 | 88% | 0.875 | 82% | 0.817 | S | S | * | * | | | trans | -86 | 113.7 | 163.1 | -84.6 | -89.8 | 0 | 0 | 0 | 108.1 | R193 | R193-Y195 PolarHBondContact O-N 3.25Š|
| 196 | Q | 38.2 | Very low | 35 | Very low | 173 Ų | 173 | 158.8 Ų | 158.8 | 81% | 0.808 | 82% | 0.815 | S | S | * | * | | | trans | -64.7 | 137 | 170.7 | -76.5 | 179.6 | -13.6 | 0 | 0 | 110.1 | V198 | Q196-V198 PolarHBondContact O-N 3.37Š|
| 197 | P | 41.6 | Very low | 35.2 | Very low | 100 Ų | 100 | 154.2 Ų | 154.2 | 65% | 0.649 | 81% | 0.809 | S | S | * | * | | | trans | -69.3 | 112.4 | 171.4 | 27.5 | -30.8 | 0 | 0 | 0 | 109.4 | Y199 | P197-Y199 HydrophobicContact CB-CD2 4.5Å; P197-Y199 HydrophobicContact CB-CE2 4.35Å; P197-Y199 HydrophobicContact CG-CE2 4.18Å; P197-Y199 PolarHBondContact O-N 2.92Å; P197-Y199 VanDerWaalsContact O-N 3.09Å |
| 198 | V | 35.7 | Very low | 35.7 | Very low | 129 Ų | 129 | 152 Ų | 152 | 78% | 0.782 | 81% | 0.813 | S | S | * | * | | | trans | -73.5 | 98.5 | 167.7 | 179.4 | 0 | 0 | 0 | 0 | 107.8 | Q196 R200 | Q196-V198 PolarHBondContact O-N 3.37Å; V198-R200 PolarHBondContact O-N 3.5Å |
| 199 | Y | 36.8 | Very low | 36 | Very low | 209 Ų | 209 | 148.8 Ų | 148.8 | 82% | 0.82 | 81% | 0.806 | S | S | * | * | | | trans | -65.6 | 111.8 | 165.9 | -81.7 | -95 | 0 | 0 | 0 | 108.8 | P197 Q201 | P197-Y199 HydrophobicContact CB-CD2 4.5Å; P197-Y199 HydrophobicContact CB-CE2 4.35Å; P197-Y199 HydrophobicContact CG-CE2 4.18Å; P197-Y199 PolarHBondContact O-N 2.92Å; P197-Y199 VanDerWaalsContact O-N 3.09Å; Y199-Q201 PolarHBondContact O-N 3.19Å |
| 200 | R | 35.7 | Very low | 36.2 | Very low | 238 Ų | 238 | 153.3 Ų | 153.3 | 90% | 0.898 | 81% | 0.811 | S | S | * | * | | | trans | -77.8 | 115.1 | 164.5 | -75.8 | -167.8 | 175 | -166.5 | -0.9 | 108.6 | V198 | V198-R200 PolarHBondContact O-N 3.5Š|
| 201 | Q | 34.5 | Very low | 36.3 | Very low | 177 Ų | 177 | 155.4 Ų | 155.4 | 83% | 0.827 | 81% | 0.811 | S | S | * | * | | | trans | -55.5 | 143.7 | 172 | -89.1 | 172.4 | -36.6 | 0 | 0 | 111.7 | Y199 C203 | Y199-Q201 PolarHBondContact O-N 3.19Å; Q201-C203 PolarHBondContact O-N 3.29Å |
| 202 | P | 40.2 | Very low | 36.7 | Very low | 120 Ų | 120 | 159 Ų | 159 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | | | trans | -69.7 | 120.4 | 160.3 | 28.6 | -29.1 | 0 | 0 | 0 | 108.8 | N204 | P202-N204 PolarHBondContact O-N 3.42Å; P202-N204 VanDerWaalsContact O-N 3.11Å |
| 203 | C | 37 | Very low | 37.3 | Very low | 131 Ų | 131 | 164 Ų | 164 | 89% | 0.885 | 81% | 0.814 | S | S | * | * | | | trans | -66.7 | 110.8 | 170.9 | -60.9 | 0 | 0 | 0 | 0 | 108.4 | Q201 | Q201-C203 PolarHBondContact O-N 3.29Š|
| 204 | N | 39.9 | Very low | 37.5 | Very low | 147 Ų | 147 | 158.4 Ų | 158.4 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | | | trans | -69.8 | 145.3 | 178.6 | -154.3 | 3.2 | 0 | 0 | 0 | 110.3 | P202 S206 | P202-N204 PolarHBondContact O-N 3.42Å; P202-N204 VanDerWaalsContact O-N 3.11Å; N204-S206 PolarHBondContact O-N 3.29Å |
| 205 | N | 36.1 | Very low | 38.2 | Very low | 158 Ų | 158 | 161.8 Ų | 161.8 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | | | trans | -65.2 | 114 | 177.5 | -69.1 | -44.3 | 0 | 0 | 0 | 110.9 | | |
| 206 | S | 37.7 | Very low | 38.6 | Very low | 99 Ų | 99 | 154.2 Ų | 154.2 | 69% | 0.692 | 80% | 0.802 | S | S | * | * | | | trans | -168 | 129.1 | 157.9 | 46.5 | 0 | 0 | 0 | 0 | 110.5 | N204 | N204-S206 PolarHBondContact O-N 3.29Š|
| 207 | D | 35.4 | Very low | 38.8 | Very low | 151 Ų | 151 | 155.5 Ų | 155.5 | 81% | 0.807 | 80% | 0.804 | S | S | * | * | | | trans | 69.2 | 97.2 | 162.6 | -64.3 | -27.7 | 0 | 0 | 0 | 119.9 | | |
| 208 | A | 38.3 | Very low | 39.2 | Very low | 103 Ų | 103 | 158.3 Ų | 158.3 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | | | trans | -155.7 | 57.3 | 142 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 209 | T | 38.6 | Very low | 39.8 | Very low | 120 Ų | 120 | 159.5 Ų | 159.5 | 74% | 0.736 | 81% | 0.813 | S | S | * | * | | | trans | -60.4 | 147.3 | 149.2 | 10.9 | 0 | 0 | 0 | 0 | 108.5 | | |
| 210 | Y | 34.7 | Very low | 40.4 | Very low | 216 Ų | 216 | 159.5 Ų | 159.5 | 85% | 0.847 | 84% | 0.836 | S | S | * | * | | | trans | 87.6 | 94.7 | -176.5 | -69.2 | -92.2 | 0 | 0 | 0 | 116.9 | | |
| 211 | R | 37.6 | Very low | 40.6 | Very low | 226 Ų | 226 | 155.6 Ų | 155.6 | 85% | 0.853 | 83% | 0.833 | S | S | * | * | | | | 173.5 | 106.1 | 107.4 | -92 | 166.8 | -177.9 | -165.7 | 1.3 | 109.2 | | |
| 212 | R | 40.9 | Very low | 40.9 | Very low | 220 Ų | 220 | 154.5 Ų | 154.5 | 83% | 0.83 | 83% | 0.833 | S | S | * | * | | | | 73.1 | 104.6 | 106.4 | -81.1 | -171.1 | 176.9 | -159.2 | -0.5 | 113.8 | | |
| 213 | Q | 42.4 | Very low | 41 | Very low | 172 Ų | 172 | 156.4 Ų | 156.4 | 80% | 0.804 | 84% | 0.836 | S | S | * | * | | | | 165.8 | 105.5 | 109.1 | -92.2 | 162.4 | 9.8 | 0 | 0 | 112.5 | | |
| 214 | S | 39.1 | Very low | 41.2 | Very low | 110 Ų | 110 | 157.9 Ų | 157.9 | 77% | 0.769 | 83% | 0.833 | S | S | * | * | | | trans | 5.4 | 111.1 | 139.7 | 54.9 | 0 | 0 | 0 | 0 | 119.5 | | |
| 215 | I | 47.4 | Very low | 41.3 | Very low | 176 Ų | 176 | 158.6 Ų | 158.6 | 90% | 0.903 | 84% | 0.836 | S | S | * | * | | | trans | -147.5 | 93.6 | 138.6 | -54.5 | -178.7 | 0 | 0 | 0 | 104 | | |
| 216 | G | 42.2 | Very low | 41.7 | Very low | 64 Ų | 64 | 158.6 Ų | 158.6 | 66% | 0.66 | 84% | 0.835 | S | S | * | * | | | | 105.4 | 83.1 | 82.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | I218 | G216-I218 PolarHBondContact O-N 3.26Š|
| 217 | K | 43.4 | Very low | 41.9 | Very low | 199 Ų | 199 | 162.9 Ų | 162.9 | 87% | 0.865 | 85% | 0.845 | S | S | * | * | | | trans | -52.7 | 121.1 | 157.1 | -97.1 | 176 | 170.5 | 177.1 | 0 | 107.5 | | |
| 218 | I | 49.3 | Very low | 42.5 | Very low | 159 Ų | 159 | 163.8 Ų | 163.8 | 82% | 0.815 | 85% | 0.848 | S | S | * | * | | | trans | -117.7 | 110.4 | 154.8 | -64.6 | 177.5 | 0 | 0 | 0 | 105.4 | G216 | G216-I218 PolarHBondContact O-N 3.26Š|
| 219 | L | 47.8 | Very low | 42.8 | Very low | 154 Ų | 154 | 168.8 Ų | 168.8 | 81% | 0.806 | 85% | 0.848 | S | S | * | * | | | trans | -75.1 | 126.2 | 166.8 | -80 | 148.7 | 0 | 0 | 0 | 108.3 | | |
| 220 | T | 50.2 | Low | 43.2 | Very low | 210 Ų | 210 | 173.3 Ų | 173.3 | 100% | 1.288 | 86% | 0.858 | S | S | * | * | | | trans | -153.2 | 0 | 139.1 | 39.3 | 0 | 0 | 0 | 0 | 106.9 | | |