| 1 | M | 41.2 | Very low | 49.2 | Very low | 252 Ų | 252 | 146.5 Ų | 146.5 | 100% | 1.241 | 76% | 0.756 | S | S | * | * | | | | 0 | 84.8 | 0 | -67.8 | 178.7 | -173 | 0 | 0 | 107.8 | | |
| 2 | G | 41.5 | Very low | 49.8 | Very low | 66 Ų | 66 | 142 Ų | 142 | 68% | 0.68 | 74% | 0.743 | S | S | * | * | | | trans | -108.1 | 116.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | D4 | G2-D4 PolarHBondContact O-N 3.2Š|
| 3 | G | 51.8 | Low | 50.3 | Low | 74 Ų | 74 | 150.8 Ų | 150.8 | 76% | 0.763 | 76% | 0.76 | S | S | * | * | | | trans | -73.1 | 118.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | R5 | G3-R5 VanDerWaalsContact C-N 3.29Å; G3-R5 PolarHBondContact O-N 3.14Å |
| 4 | D | 51.9 | Low | 50.9 | Low | 156 Ų | 156 | 145.7 Ų | 145.7 | 83% | 0.834 | 74% | 0.735 | S | S | * | * | | | trans | -61.5 | 87.7 | 175.8 | -55.9 | -75.3 | 0 | 0 | 0 | 110.1 | G2 L6 | G2-D4 PolarHBondContact O-N 3.2Å; D4-L6 VanDerWaalsContact C-N 3.32Å; D4-L6 PolarHBondContact O-N 3.4Å |
| 5 | R | 48 | Very low | 51.1 | Low | 241 Ų | 241 | 141.3 Ų | 141.3 | 91% | 0.909 | 72% | 0.723 | S | S | * | * | | | trans | -69 | 95.9 | 162.5 | -84.9 | -174.7 | 160.3 | -165.1 | -3.6 | 107 | G3 S7 | G3-R5 VanDerWaalsContact C-N 3.29Å; G3-R5 PolarHBondContact O-N 3.14Å; R5-S7 PolarHBondContact O-N 2.69Å |
| 6 | L | 51.7 | Low | 51.3 | Low | 103 Ų | 103 | 138.3 Ų | 138.3 | 54% | 0.539 | 72% | 0.719 | S | S | . | * | | | trans | -51.7 | 125.1 | 166.2 | -70.9 | 169.5 | 0 | 0 | 0 | 108.5 | D4 E10 | D4-L6 VanDerWaalsContact C-N 3.32Å; D4-L6 PolarHBondContact O-N 3.4Å; L6-E10 HydrophobicContact CB-CB 4.33Å; L6-E10 HydrophobicContact CD2-CB 4.15Å |
| 7 | S | 47 | Very low | 51.4 | Low | 64 Ų | 64 | 140.2 Ų | 140.2 | 45% | 0.448 | 72% | 0.72 | S | S | . | * | | | trans | -60 | 148.9 | 177 | -77.2 | 0 | 0 | 0 | 0 | 109.1 | R5 R9 E10 | R5-S7 PolarHBondContact O-N 2.69Å; S7-R9 PolarHBondContact O-N 3.29Å; S7-E10 PolarHBondContact N-OE2 2.78Å; S7-E10 WeakPolarHBondContact O-CB 3.47Å; S7-E10 PolarHBondContact O-N 3.29Å |
| 8 | P | 54.3 | Low | 51.6 | Low | 119 Ų | 119 | 133.7 Ų | 133.7 | 77% | 0.773 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.3 | -20.3 | 177.9 | -28 | 34.5 | 0 | 0 | 0 | 114.8 | | |
| 9 | R | 50.4 | Low | 51.7 | Low | 246 Ų | 246 | 131.1 Ų | 131.1 | 93% | 0.928 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -17.3 | 176.5 | -69.4 | -179.8 | 135.5 | -138.7 | -2.7 | 114.9 | S7 | S7-R9 PolarHBondContact O-N 3.29Š|
| 10 | E | 54.9 | Low | 51.7 | Low | 115 Ų | 115 | 131.2 Ų | 131.2 | 54% | 0.537 | 68% | 0.677 | S | S | . | * | S | Bend | trans | -95.1 | 0.1 | -178.3 | -61.3 | -176.9 | 96.5 | 0 | 0 | 112.6 | L6 S7 | L6-E10 HydrophobicContact CB-CB 4.33Å; L6-E10 HydrophobicContact CD2-CB 4.15Å; S7-E10 PolarHBondContact N-OE2 2.78Å; S7-E10 WeakPolarHBondContact O-CB 3.47Å; S7-E10 PolarHBondContact O-N 3.29Å |
| 11 | W | 48.7 | Very low | 51.7 | Low | 175 Ų | 175 | 130.4 Ų | 130.4 | 66% | 0.663 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -64.5 | 127 | 175.2 | -76.5 | 67 | 0 | 0 | 0 | 109.1 | R13 | W11-R13 PolarHBondContact O-N 3.32Š|
| 12 | P | 55.9 | Low | 52.2 | Low | 93 Ų | 93 | 120.9 Ų | 120.9 | 60% | 0.604 | 63% | 0.63 | S | S | * | * | | | trans | -55.7 | 122.5 | 172.1 | 20.9 | -28.8 | 0 | 0 | 0 | 107.5 | I14 | P12-I14 PolarHBondContact O-N 2.69Š|
| 13 | R | 56.3 | Low | 52.7 | Low | 256 Ų | 256 | 122.8 Ų | 122.8 | 97% | 0.966 | 62% | 0.624 | S | S | * | * | | | trans | -68.6 | 65.4 | 171.9 | -69.5 | -92.2 | -165.6 | 119.7 | 3.5 | 108.1 | W11 S15 | W11-R13 PolarHBondContact O-N 3.32Å; R13-S15 PolarHBondContact O-N 3.48Å |
| 14 | I | 58.9 | Low | 52.4 | Low | 80 Ų | 80 | 121.4 Ų | 121.4 | 41% | 0.41 | 61% | 0.609 | S | S | . | * | | | trans | -74.9 | 124.1 | 172.9 | -165.5 | 165.4 | 0 | 0 | 0 | 107.1 | P12 G18 L19 V22 | P12-I14 PolarHBondContact O-N 2.69Å; I14-G18 VanDerWaalsContact CD1-O 3.25Å; I14-G18 WeakPolarHBondContact CD1-O 3.38Å; I14-G18 VanDerWaalsContact CG1-C 3.45Å; I14-L19 HydrophobicContact CG2-CB 4.32Å; I14-L19 HydrophobicContact CG2-CD1 3.98Å; I14-V22 HydrophobicContact CD1-CB 4.47Å; I14-V22 HydrophobicContact CD1-CG2 3.59Å |
| 15 | S | 54.8 | Low | 52 | Low | 79 Ų | 79 | 118.4 Ų | 118.4 | 55% | 0.552 | 59% | 0.59 | S | S | * | * | | | trans | -58.3 | 152.6 | 172.4 | 177.8 | 0 | 0 | 0 | 0 | 109.3 | R13 K17 G18 L19 | R13-S15 PolarHBondContact O-N 3.48Å; S15-K17 PolarHBondContact O-N 3.4Å; S15-K17 VanDerWaalsContact O-N 3.09Å; S15-G18 CarbonylContact O-C 3.55Å; S15-G18 VanDerWaalsContact O-CA 3.31Å; S15-G18 WeakPolarHBondContact O-CA 3.34Å; S15-G18 PolarHBondContact O-N 2.85Å; S15-L19 PolarHBondContact O-N 3.32Å |
| 16 | S | 54.4 | Low | 51.8 | Low | 93 Ų | 93 | 110.5 Ų | 110.5 | 65% | 0.65 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -48.9 | -39.7 | 175.3 | -44.8 | 0 | 0 | 0 | 0 | 111.5 | G18 L19 E20 | S16-G18 VanDerWaalsContact C-N 3.34Å; S16-G18 PolarHBondContact O-N 2.88Å; S16-L19 WeakPolarHBondContact O-CB 3.4Å; S16-L19 PolarHBondContact O-N 3.36Å; S16-L19 VanDerWaalsContact O-N 3.12Å; S16-E20 WeakPolarHBondContact O-CG 3.44Å; S16-E20 PolarHBondContact O-N 3.28Å |
| 17 | K | 51.7 | Low | 51.6 | Low | 171 Ų | 171 | 109.9 Ų | 109.9 | 74% | 0.743 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -61.3 | -37.6 | 173.2 | -76.8 | 179.3 | 172.6 | 169.4 | 0 | 113.8 | S15 N21 | S15-K17 PolarHBondContact O-N 3.4Å; S15-K17 VanDerWaalsContact O-N 3.09Å; K17-N21 PolarHBondContact O-N 3.27Å |
| 18 | G | 55.4 | Low | 51.1 | Low | 23 Ų | 23 | 108.9 Ų | 108.9 | 24% | 0.237 | 58% | 0.58 | C | S | . | * | H | α-helix | trans | -71.9 | -34 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | I14 S15 S16 N21 V22 | I14-G18 VanDerWaalsContact CD1-O 3.25Å; I14-G18 WeakPolarHBondContact CD1-O 3.38Å; I14-G18 VanDerWaalsContact CG1-C 3.45Å; S15-G18 CarbonylContact O-C 3.55Å; S15-G18 VanDerWaalsContact O-CA 3.31Å; S15-G18 WeakPolarHBondContact O-CA 3.34Å; S15-G18 PolarHBondContact O-N 2.85Å; S16-G18 VanDerWaalsContact C-N 3.34Å; S16-G18 PolarHBondContact O-N 2.88Å; G18-N21 PolarHBondContact O-N 3.49Å; G18-V22 VanDerWaalsContact O-CG2 3.22Å; G18-V22 WeakPolarHBondContact O-CG2 3.22Å; G18-V22 PolarHBondContact O-N 3.19Å |
| 19 | L | 54.1 | Low | 50.1 | Low | 85 Ų | 85 | 107.3 Ų | 107.3 | 45% | 0.445 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -68.9 | -41 | 176.3 | -166.5 | 77.5 | 0 | 0 | 0 | 111.1 | I14 S15 S16 N21 V22 I23 | I14-L19 HydrophobicContact CG2-CB 4.32Å; I14-L19 HydrophobicContact CG2-CD1 3.98Å; S15-L19 PolarHBondContact O-N 3.32Å; S16-L19 WeakPolarHBondContact O-CB 3.4Å; S16-L19 PolarHBondContact O-N 3.36Å; S16-L19 VanDerWaalsContact O-N 3.12Å; L19-N21 VanDerWaalsContact C-N 3.3Å; L19-N21 PolarHBondContact O-N 3.03Å; L19-V22 PolarHBondContact O-N 3.45Å; L19-I23 HydrophobicContact CD2-CD1 4.08Å; L19-I23 HydrophobicContact CG-CD1 3.81Å; L19-I23 HydrophobicContact CG-CG1 4.42Å; L19-I23 WeakPolarHBondContact O-CB 3.25Å; L19-I23 VanDerWaalsContact O-CG1 3.22Å; L19-I23 WeakPolarHBondContact O-CG1 3.25Å; L19-I23 PolarHBondContact O-N 2.87Å |
| 20 | E | 52.2 | Low | 49.6 | Very low | 132 Ų | 132 | 100.6 Ų | 100.6 | 62% | 0.617 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -61.2 | -39.4 | 173.8 | -70.6 | 177 | 108.4 | 0 | 0 | 111.7 | S16 I23 G24 | S16-E20 WeakPolarHBondContact O-CG 3.44Å; S16-E20 PolarHBondContact O-N 3.28Å; E20-I23 PolarHBondContact O-N 3.44Å; E20-G24 PolarHBondContact O-N 3.43Å |
| 21 | N | 51.4 | Low | 48.7 | Very low | 116 Ų | 116 | 104.4 Ų | 104.4 | 62% | 0.62 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -65.9 | -40.1 | 175.2 | -138.8 | 25.6 | 0 | 0 | 0 | 111.6 | K17 G18 L19 G24 E25 | K17-N21 PolarHBondContact O-N 3.27Å; G18-N21 PolarHBondContact O-N 3.49Å; L19-N21 VanDerWaalsContact C-N 3.3Å; L19-N21 PolarHBondContact O-N 3.03Å; N21-G24 PolarHBondContact O-N 2.09Å; N21-E25 PolarHBondContact O-N 3.39Å |
| 22 | V | 51.6 | Low | 48.3 | Very low | 52 Ų | 52 | 99.8 Ų | 99.8 | 32% | 0.315 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -69.6 | -35.3 | 177.2 | 170 | 0 | 0 | 0 | 0 | 112.6 | I14 G18 L19 C26 | I14-V22 HydrophobicContact CD1-CB 4.47Å; I14-V22 HydrophobicContact CD1-CG2 3.59Å; G18-V22 VanDerWaalsContact O-CG2 3.22Å; G18-V22 WeakPolarHBondContact O-CG2 3.22Å; G18-V22 PolarHBondContact O-N 3.19Å; L19-V22 PolarHBondContact O-N 3.45Å; V22-C26 PolarHBondContact O-N 2.7Å |
| 23 | I | 51 | Low | 47.3 | Very low | 105 Ų | 105 | 102.7 Ų | 102.7 | 54% | 0.538 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -74.9 | -37.7 | 176.5 | -66.7 | 166.5 | 0 | 0 | 0 | 110.6 | L19 E20 C26 A27 | L19-I23 HydrophobicContact CD2-CD1 4.08Å; L19-I23 HydrophobicContact CG-CD1 3.81Å; L19-I23 HydrophobicContact CG-CG1 4.42Å; L19-I23 WeakPolarHBondContact O-CB 3.25Å; L19-I23 VanDerWaalsContact O-CG1 3.22Å; L19-I23 WeakPolarHBondContact O-CG1 3.25Å; L19-I23 PolarHBondContact O-N 2.87Å; E20-I23 PolarHBondContact O-N 3.44Å; I23-C26 PolarHBondContact O-N 2.69Å; I23-A27 WeakPolarHBondContact O-CB 3.48Å; I23-A27 PolarHBondContact O-N 3.09Å; I23-A27 VanDerWaalsContact O-N 3.14Å |
| 24 | G | 45.7 | Very low | 46.4 | Very low | 45 Ų | 45 | 96.8 Ų | 96.8 | 46% | 0.464 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.8 | -40.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E20 N21 A27 G28 | E20-G24 PolarHBondContact O-N 3.43Å; N21-G24 PolarHBondContact O-N 2.09Å; G24-A27 PolarHBondContact O-N 3.12Å; G24-G28 PolarHBondContact O-N 3.41Å |
| 25 | E | 43.1 | Very low | 45.1 | Very low | 94 Ų | 94 | 98.7 Ų | 98.7 | 44% | 0.439 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -69.3 | -35 | 177 | -118.9 | 177.9 | 79.3 | 0 | 0 | 113.1 | N21 | N21-E25 PolarHBondContact O-N 3.39Å |
| 26 | C | 44.3 | Very low | 44.2 | Very low | 75 Ų | 75 | 97.9 Ų | 97.9 | 51% | 0.507 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -77.8 | -19.4 | 175.5 | -79 | 0 | 0 | 0 | 0 | 113.5 | V22 I23 C42 | V22-C26 PolarHBondContact O-N 2.7Å; I23-C26 PolarHBondContact O-N 2.69Å; C26-C42 HydrophobicContact CB-CB 4.35Å; C26-C42 WeakPolarHBondContact CB-SG 3.2Å; C26-C42 WeakPolarHBondContact SG-CB 3.43Å; C26-C42 CovalentContact SG-SG 2.09Å; C26-C42 PolarHBondContact SG-SG 2.73Å |
| 27 | A | 46.7 | Very low | 43.7 | Very low | 89 Ų | 89 | 99.3 Ų | 99.3 | 74% | 0.736 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -89.7 | -20.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | I23 G24 | I23-A27 WeakPolarHBondContact O-CB 3.48Å; I23-A27 PolarHBondContact O-N 3.09Å; I23-A27 VanDerWaalsContact O-N 3.14Å; G24-A27 PolarHBondContact O-N 3.12Å |
| 28 | G | 37.7 | Very low | 43.3 | Very low | 43 Ų | 43 | 94.2 Ų | 94.2 | 44% | 0.443 | 58% | 0.582 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -123.5 | 65 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | G24 V30 | G24-G28 PolarHBondContact O-N 3.41Å; G28-V30 WeakPolarHBondContact O-CG2 3.43Å; G28-V30 PolarHBondContact O-N 2.92Å |
| 29 | G | 33.9 | Very low | 42.5 | Very low | 86 Ų | 86 | 95.5 Ų | 95.5 | 89% | 0.887 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 49.5 | 10.8 | 145.2 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 30 | V | 37.9 | Very low | 41.7 | Very low | 105 Ų | 105 | 99.1 Ų | 99.1 | 64% | 0.636 | 61% | 0.608 | S | S | * | * | | | trans | -127 | 106.4 | -178 | -157.8 | 0 | 0 | 0 | 0 | 108.3 | G28 P32 | G28-V30 WeakPolarHBondContact O-CG2 3.43Å; G28-V30 PolarHBondContact O-N 2.92Å; V30-P32 WeakPolarHBondContact O-CD 3.31Å |
| 31 | Q | 37.8 | Very low | 41.2 | Very low | 195 Ų | 195 | 96.4 Ų | 96.4 | 91% | 0.911 | 60% | 0.602 | S | S | * | * | | | trans | -78.9 | 122.3 | 169.9 | -62.2 | 171.4 | 59 | 0 | 0 | 107.9 | | |
| 32 | P | 39.3 | Very low | 40.8 | Very low | 78 Ų | 78 | 94.8 Ų | 94.8 | 51% | 0.506 | 60% | 0.599 | S | S | . | * | | | trans | -132.7 | 110 | 145 | 32.9 | -18.6 | 0 | 0 | 0 | 111.2 | V30 M34 | V30-P32 WeakPolarHBondContact O-CD 3.31Å; P32-M34 PolarHBondContact O-N 2.92Å |
| 33 | L | 35.3 | Very low | 40 | Very low | 154 Ų | 154 | 96.8 Ų | 96.8 | 81% | 0.806 | 61% | 0.612 | S | S | * | * | | | trans | 55.7 | 41.5 | 134.4 | -154 | 73.3 | 0 | 0 | 0 | 117.8 | T35 | L33-T35 HydrophobicContact CD1-CG2 3.98Š|
| 34 | M | 36.4 | Very low | 39.6 | Very low | 133 Ų | 133 | 101 Ų | 101 | 66% | 0.655 | 63% | 0.626 | S | S | * | * | | | trans | -100.9 | 69.6 | 158.7 | -131.2 | 162.3 | 163.1 | 0 | 0 | 109.1 | P32 G36 L38 | P32-M34 PolarHBondContact O-N 2.92Å; M34-G36 PolarHBondContact O-N 2.75Å; M34-L38 HydrophobicContact CE-CD1 3.62Å; M34-L38 HydrophobicContact CG-CD1 4.21Å; M34-L38 HydrophobicContact SD-CD1 3.72Å |
| 35 | T | 32.5 | Very low | 39.1 | Very low | 120 Ų | 120 | 102.9 Ų | 102.9 | 74% | 0.736 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | 114.7 | -177.6 | 42 | 0 | 0 | 0 | 0 | 111.7 | L33 | L33-T35 HydrophobicContact CD1-CG2 3.98Š|
| 36 | G | 36.6 | Very low | 38.9 | Very low | 62 Ų | 62 | 107.6 Ų | 107.6 | 64% | 0.639 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 128.1 | -48 | 153.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | M34 | M34-G36 PolarHBondContact O-N 2.75Š|
| 37 | T | 42.5 | Very low | 38.7 | Very low | 122 Ų | 122 | 110.2 Ų | 110.2 | 75% | 0.748 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.1 | -29.1 | -167.3 | 30.8 | 0 | 0 | 0 | 0 | 114.9 | | |
| 38 | L | 43.8 | Very low | 38.2 | Very low | 65 Ų | 65 | 117.2 Ų | 117.2 | 34% | 0.34 | 68% | 0.681 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.1 | -20.2 | -176.4 | -70 | 163.7 | 0 | 0 | 0 | 113.7 | M34 K40 C41 | M34-L38 HydrophobicContact CE-CD1 3.62Å; M34-L38 HydrophobicContact CG-CD1 4.21Å; M34-L38 HydrophobicContact SD-CD1 3.72Å; L38-K40 PolarHBondContact O-N 2.89Å; L38-K40 VanDerWaalsContact O-N 3.16Å; L38-C41 PolarHBondContact O-N 2.83Å |
| 39 | G | 37.8 | Very low | 38.5 | Very low | 50 Ų | 50 | 117.8 Ų | 117.8 | 52% | 0.515 | 68% | 0.682 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.4 | -16.8 | 177 | 0 | 0 | 0 | 0 | 0 | 114.9 | T43 | G39-T43 PolarHBondContact O-OG1 3.19Š|
| 40 | K | 38.2 | Very low | 38.8 | Very low | 161 Ų | 161 | 122 Ų | 122 | 70% | 0.7 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -12.8 | 174 | -68.2 | 174.7 | 177.9 | 171.3 | 0 | 113.4 | L38 | L38-K40 PolarHBondContact O-N 2.89Å; L38-K40 VanDerWaalsContact O-N 3.16Å |
| 41 | C | 41.2 | Very low | 38.8 | Very low | 74 Ų | 74 | 122.9 Ų | 122.9 | 50% | 0.5 | 68% | 0.683 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.4 | -31.1 | 178.6 | -69.8 | 0 | 0 | 0 | 0 | 112.7 | L38 | L38-C41 PolarHBondContact O-N 2.83Š|
| 42 | C | 42.5 | Very low | 39.1 | Very low | 82 Ų | 82 | 118.6 Ų | 118.6 | 55% | 0.554 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -91 | -7 | 177.8 | -67.1 | 0 | 0 | 0 | 0 | 113.2 | C26 | C26-C42 HydrophobicContact CB-CB 4.35Å; C26-C42 WeakPolarHBondContact CB-SG 3.2Å; C26-C42 WeakPolarHBondContact SG-CB 3.43Å; C26-C42 CovalentContact SG-SG 2.09Å; C26-C42 PolarHBondContact SG-SG 2.73Å |
| 43 | T | 36.2 | Very low | 38.8 | Very low | 95 Ų | 95 | 118.8 Ų | 118.8 | 58% | 0.583 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -107.2 | 115 | 173 | 43.2 | 0 | 0 | 0 | 0 | 110.9 | G39 | G39-T43 PolarHBondContact O-OG1 3.19Š|
| 44 | K | 41.2 | Very low | 39.3 | Very low | 193 Ų | 193 | 118.7 Ų | 118.7 | 84% | 0.839 | 67% | 0.668 | S | S | * | * | S | Bend | trans | 76.6 | 73.6 | 166.9 | -152.9 | 168.4 | -178 | 166.7 | 0 | 116 | Y46 | K44-Y46 VanDerWaalsContact O-CD2 3.24Å; K44-Y46 WeakPolarHBondContact O-CD2 3.25Å; K44-Y46 PolarHBondContact O-N 3.21Å |
| 45 | G | 36.6 | Very low | 39.7 | Very low | 84 Ų | 84 | 118.5 Ų | 118.5 | 87% | 0.866 | 67% | 0.665 | S | S | * | * | S | Bend | trans | 78.5 | 24.1 | 145 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 46 | Y | 39.1 | Very low | 40.3 | Very low | 194 Ų | 194 | 114.1 Ų | 114.1 | 76% | 0.761 | 64% | 0.641 | S | S | * | * | | | trans | -113.4 | 17.4 | -177.8 | -84.2 | -85 | 0 | 0 | 0 | 116.2 | K44 R48 | K44-Y46 VanDerWaalsContact O-CD2 3.24Å; K44-Y46 WeakPolarHBondContact O-CD2 3.25Å; K44-Y46 PolarHBondContact O-N 3.21Å; Y46-R48 PolarHBondContact O-N 3.01Å |
| 47 | V | 40.2 | Very low | 40.7 | Very low | 130 Ų | 130 | 117.9 Ų | 117.9 | 79% | 0.788 | 64% | 0.64 | S | S | * | * | | | trans | -78.1 | 71.2 | 162.1 | -167.8 | 0 | 0 | 0 | 0 | 108.5 | A49 | V47-A49 HydrophobicContact CG1-CB 3.95Å; V47-A49 PolarHBondContact O-N 3.46Å |
| 48 | R | 35.9 | Very low | 40.8 | Very low | 236 Ų | 236 | 114 Ų | 114 | 89% | 0.891 | 63% | 0.625 | S | S | * | * | | | trans | -84.6 | 64.7 | 153.3 | -137.4 | 177.7 | -175 | 173.7 | 0.8 | 106.2 | Y46 H50 | Y46-R48 PolarHBondContact O-N 3.01Å; R48-H50 PolarHBondContact O-N 2.78Å |
| 49 | A | 44.1 | Very low | 40.9 | Very low | 55 Ų | 55 | 119.4 Ų | 119.4 | 46% | 0.455 | 64% | 0.64 | S | S | . | * | | | trans | -51.7 | 127.6 | 152.8 | 0 | 0 | 0 | 0 | 0 | 104.2 | V47 V51 | V47-A49 HydrophobicContact CG1-CB 3.95Å; V47-A49 PolarHBondContact O-N 3.46Å; A49-V51 HydrophobicContact CB-CG2 4.24Å; A49-V51 PolarHBondContact O-N 3.05Å |
| 50 | H | 39.3 | Very low | 41.2 | Very low | 174 Ų | 174 | 121.3 Ų | 121.3 | 81% | 0.806 | 64% | 0.642 | S | S | * | * | | | trans | -57.5 | 95.9 | 148 | -79.3 | -92.5 | 0 | 0 | 0 | 103.4 | R48 L52 | R48-H50 PolarHBondContact O-N 2.78Å; H50-L52 PolarHBondContact O-N 3.2Å |
| 51 | V | 38.8 | Very low | 41.5 | Very low | 123 Ų | 123 | 118.1 Ų | 118.1 | 75% | 0.745 | 63% | 0.633 | S | S | * | * | | | trans | -64.1 | 79.6 | 165.2 | 179.8 | 0 | 0 | 0 | 0 | 102.9 | A49 P53 | A49-V51 HydrophobicContact CB-CG2 4.24Å; A49-V51 PolarHBondContact O-N 3.05Å; V51-P53 WeakPolarHBondContact O-CD 3.22Å |
| 52 | L | 42.5 | Very low | 41.6 | Very low | 105 Ų | 105 | 119.1 Ų | 119.1 | 55% | 0.55 | 64% | 0.641 | S | S | . | * | | | trans | -53.2 | 119.7 | 155.4 | -83.1 | 132.5 | 0 | 0 | 0 | 103 | H50 N54 A56 | H50-L52 PolarHBondContact O-N 3.2Å; L52-N54 PolarHBondContact O-N 3.45Å; L52-A56 HydrophobicContact CB-CB 4.21Å; L52-A56 HydrophobicContact CD2-CB 3.75Å |
| 53 | P | 34.6 | Very low | 41.5 | Very low | 82 Ų | 82 | 124.1 Ų | 124.1 | 53% | 0.532 | 65% | 0.653 | S | S | . | * | | | trans | -50.2 | 138.8 | 176.6 | 21 | -31 | 0 | 0 | 0 | 106.8 | V51 E55 A56 | V51-P53 WeakPolarHBondContact O-CD 3.22Å; P53-E55 CarbonylContact O-C 3.54Å; P53-E55 PolarHBondContact O-N 2.73Å; P53-A56 HydrophobicContact CG-CB 4.19Å; P53-A56 WeakPolarHBondContact O-CB 3.24Å; P53-A56 PolarHBondContact O-N 3.03Å |
| 54 | N | 46.2 | Very low | 41.7 | Very low | 153 Ų | 153 | 127.4 Ų | 127.4 | 82% | 0.818 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -44.8 | -29.8 | -177.1 | -177.8 | -89 | 0 | 0 | 0 | 112.7 | L52 A56 F57 G58 | L52-N54 PolarHBondContact O-N 3.45Å; N54-A56 PolarHBondContact O-N 3.16Å; N54-F57 PolarHBondContact O-N 3.33Å; N54-G58 PolarHBondContact O-N 2.83Å |
| 55 | E | 44.2 | Very low | 41.4 | Very low | 128 Ų | 128 | 125 Ų | 125 | 60% | 0.598 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -60 | -36.1 | 169.7 | -90.2 | -173.9 | 76 | 0 | 0 | 116.5 | P53 R59 | P53-E55 CarbonylContact O-C 3.54Å; P53-E55 PolarHBondContact O-N 2.73Å; E55-R59 WeakPolarHBondContact O-CG 3.48Å; E55-R59 PolarHBondContact O-N 2.95Å; E55-R59 IonicContact OE1-CZ 3.82Å; E55-R59 IonicContact OE1-NH2 2.78Å; E55-R59 PolarHBondContact OE1-NH2 3.21Å |
| 56 | A | 45.7 | Very low | 41.6 | Very low | 29 Ų | 29 | 127.6 Ų | 127.6 | 24% | 0.24 | 65% | 0.651 | C | S | . | * | H | α-helix | trans | -76.3 | -25.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L52 P53 N54 T60 | L52-A56 HydrophobicContact CB-CB 4.21Å; L52-A56 HydrophobicContact CD2-CB 3.75Å; P53-A56 HydrophobicContact CG-CB 4.19Å; P53-A56 WeakPolarHBondContact O-CB 3.24Å; P53-A56 PolarHBondContact O-N 3.03Å; N54-A56 PolarHBondContact O-N 3.16Å; A56-T60 PolarHBondContact O-N 2.81Å; A56-T60 PolarHBondContact O-OG1 3.04Å |
| 57 | F | 44.5 | Very low | 41.5 | Very low | 141 Ų | 141 | 124.2 Ų | 124.2 | 62% | 0.618 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -74.9 | -35.6 | 174.6 | -161.7 | -94.5 | 0 | 0 | 0 | 111.5 | N54 N61 | N54-F57 PolarHBondContact O-N 3.33Å; F57-N61 PolarHBondContact O-ND2 3.06Å |
| 58 | G | 44.4 | Very low | 41.5 | Very low | 41 Ų | 41 | 124.1 Ų | 124.1 | 42% | 0.423 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -68.6 | -39 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | N54 S62 | N54-G58 PolarHBondContact O-N 2.83Å; G58-S62 PolarHBondContact O-OG 2.8Å |
| 59 | R | 45.3 | Very low | 41.8 | Very low | 177 Ų | 177 | 120.7 Ų | 120.7 | 67% | 0.668 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -80 | -24.4 | -175.1 | -67.3 | -176 | -154.3 | -156.4 | 9.4 | 114.7 | E55 | E55-R59 WeakPolarHBondContact O-CG 3.48Å; E55-R59 PolarHBondContact O-N 2.95Å; E55-R59 IonicContact OE1-CZ 3.82Å; E55-R59 IonicContact OE1-NH2 2.78Å; E55-R59 PolarHBondContact OE1-NH2 3.21Å |
| 60 | T | 45.4 | Very low | 41.7 | Very low | 90 Ų | 90 | 123.4 Ų | 123.4 | 55% | 0.552 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -85.1 | -16.4 | 177.8 | 40.2 | 0 | 0 | 0 | 0 | 113.6 | A56 | A56-T60 PolarHBondContact O-N 2.81Å; A56-T60 PolarHBondContact O-OG1 3.04Å |
| 61 | N | 44.5 | Very low | 42 | Very low | 95 Ų | 95 | 121.8 Ų | 121.8 | 51% | 0.508 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -84.6 | -26.7 | 172.4 | -80.4 | -76.2 | 0 | 0 | 0 | 113.5 | F57 K63 | F57-N61 PolarHBondContact O-ND2 3.06Å; N61-K63 VanDerWaalsContact C-N 3.31Å; N61-K63 PolarHBondContact O-N 3.39Å |
| 62 | S | 42 | Very low | 42.4 | Very low | 95 Ų | 95 | 125.1 Ų | 125.1 | 66% | 0.664 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -16.1 | -178.7 | -59.6 | 0 | 0 | 0 | 0 | 115.1 | G58 | G58-S62 PolarHBondContact O-OG 2.8Š|
| 63 | K | 41.5 | Very low | 42.5 | Very low | 186 Ų | 186 | 127.6 Ų | 127.6 | 81% | 0.809 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | -8.9 | -177.2 | -149.1 | 168.4 | -174.7 | 175.1 | 0 | 114.3 | N61 | N61-K63 VanDerWaalsContact C-N 3.31Å; N61-K63 PolarHBondContact O-N 3.39Å |
| 64 | M | 38.7 | Very low | 43.1 | Very low | 165 Ų | 165 | 126.8 Ų | 126.8 | 81% | 0.813 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.3 | -9.6 | 177.4 | -66.8 | -171.5 | -162.7 | 0 | 0 | 113.7 | | |
| 65 | M | 36.6 | Very low | 43.2 | Very low | 141 Ų | 141 | 126.5 Ų | 126.5 | 70% | 0.695 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -92.9 | 7.6 | 178.1 | -174 | 144.3 | 164.9 | 0 | 0 | 114.1 | | |
| 66 | N | 39.3 | Very low | 43.6 | Very low | 140 Ų | 140 | 126.2 Ų | 126.2 | 75% | 0.749 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -105.1 | 18.5 | -179.7 | -155.3 | -109.4 | 0 | 0 | 0 | 113.8 | | |
| 67 | T | 37.4 | Very low | 43.7 | Very low | 123 Ų | 123 | 133.7 Ų | 133.7 | 76% | 0.755 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -131.7 | 17.4 | -176.1 | -51.3 | 0 | 0 | 0 | 0 | 113.7 | | |
| 68 | V | 40.3 | Very low | 44.2 | Very low | 127 Ų | 127 | 135.5 Ų | 135.5 | 77% | 0.77 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -129.9 | 8.1 | 170.5 | -64.7 | 0 | 0 | 0 | 0 | 114.4 | | |
| 69 | E | 43.4 | Very low | 44.7 | Very low | 165 Ų | 165 | 137 Ų | 137 | 77% | 0.771 | 75% | 0.752 | S | S | * | * | | | trans | -106.2 | 66.7 | 170.2 | -64.3 | -154.2 | 107.1 | 0 | 0 | 109.8 | | |
| 70 | S | 40.9 | Very low | 45.3 | Very low | 112 Ų | 112 | 139.7 Ų | 139.7 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | | | trans | -161.6 | 64.3 | 170 | -68.7 | 0 | 0 | 0 | 0 | 109 | | |
| 71 | V | 45.8 | Very low | 45.9 | Very low | 139 Ų | 139 | 141.9 Ų | 141.9 | 84% | 0.842 | 77% | 0.77 | S | S | * | * | | | trans | -123.5 | 85.3 | 156.1 | 175.8 | 0 | 0 | 0 | 0 | 105.4 | | |
| 72 | E | 47.8 | Very low | 46.7 | Very low | 193 Ų | 193 | 145.5 Ų | 145.5 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | | | trans | -67.7 | 118.7 | 155.7 | -67.3 | -171.1 | 88.7 | 0 | 0 | 106.8 | | |
| 73 | D | 45.1 | Very low | 47.4 | Very low | 157 Ų | 157 | 152.8 Ų | 152.8 | 84% | 0.84 | 80% | 0.797 | S | S | * | * | | | trans | -160.2 | 108.4 | 151 | -154.5 | -121 | 0 | 0 | 0 | 111.5 | | |
| 74 | G | 45.4 | Very low | 48.4 | Very low | 66 Ų | 66 | 149.4 Ų | 149.4 | 68% | 0.68 | 79% | 0.792 | S | S | * | * | | | trans | 71.2 | 98.8 | 140.8 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 75 | T | 48.2 | Very low | 49.3 | Very low | 147 Ų | 147 | 151.4 Ų | 151.4 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | | | trans | -78.3 | 135 | 145.6 | 35.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 76 | P | 53.9 | Low | 50.1 | Low | 121 Ų | 121 | 148.4 Ų | 148.4 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | | | | -131.7 | 127.3 | 126.6 | 30 | -17.5 | 0 | 0 | 0 | 112.3 | | |
| 77 | E | 48.2 | Very low | 50.7 | Low | 187 Ų | 187 | 148.3 Ų | 148.3 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | | | trans | -36.9 | 151.5 | 147.9 | -172.4 | -178.6 | 100.3 | 0 | 0 | 112.9 | | |
| 78 | E | 54.1 | Low | 51.4 | Low | 179 Ų | 179 | 152.1 Ų | 152.1 | 84% | 0.836 | 84% | 0.838 | S | S | * | * | | | trans | 112.9 | 126.9 | 160.3 | -140.9 | -154.6 | 98.9 | 0 | 0 | 118.3 | | |
| 79 | A | 54.9 | Low | 52 | Low | 71 Ų | 71 | 153.4 Ų | 153.4 | 59% | 0.587 | 84% | 0.841 | S | S | * | * | | | trans | 70.3 | 106.9 | 147 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 80 | R | 57.5 | Low | 52.4 | Low | 235 Ų | 235 | 152.7 Ų | 152.7 | 89% | 0.887 | 85% | 0.845 | S | S | * | * | | | | 175.8 | 126.1 | 77.2 | -122.1 | 169 | 171.8 | 152.8 | -2.7 | 112.6 | | |
| 81 | D | 58.3 | Low | 53.1 | Low | 135 Ų | 135 | 155 Ų | 155 | 72% | 0.722 | 85% | 0.848 | S | S | * | * | | | trans | -30.4 | 131 | 154.2 | 178 | -105.2 | 0 | 0 | 0 | 115.2 | | |
| 82 | Q | 62.3 | Low | 53.5 | Low | 171 Ų | 171 | 155.9 Ų | 155.9 | 80% | 0.799 | 85% | 0.848 | S | S | * | * | | | trans | 169 | 113.1 | 135.8 | -92.9 | 162.5 | 93.1 | 0 | 0 | 110.2 | | |
| 83 | R | 55 | Low | 53.9 | Low | 248 Ų | 248 | 153.6 Ų | 153.6 | 94% | 0.936 | 85% | 0.845 | S | S | * | * | | | | 170.3 | 89.8 | 120.4 | -160.4 | 170.2 | -151.3 | -159.7 | 4 | 110.4 | | |
| 84 | T | 62.5 | Low | 54.5 | Low | 115 Ų | 115 | 153.4 Ų | 153.4 | 71% | 0.706 | 85% | 0.845 | S | S | * | * | | | trans | -63.9 | 153.8 | 168.5 | 45.3 | 0 | 0 | 0 | 0 | 114.4 | | |
| 85 | K | 59.1 | Low | 55.1 | Low | 208 Ų | 208 | 159.6 Ų | 159.6 | 90% | 0.904 | 86% | 0.857 | S | S | * | * | | | trans | 79 | 128.6 | 157.3 | -66.2 | 169.2 | -175.2 | -174.7 | 0 | 116.7 | | |
| 86 | G | 52.2 | Low | 55.6 | Low | 78 Ų | 78 | 160.6 Ų | 160.6 | 80% | 0.804 | 85% | 0.854 | S | S | * | * | | | cis | -171.5 | 146.8 | 6.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 87 | T | 52.3 | Low | 55.8 | Low | 138 Ų | 138 | 163.9 Ų | 163.9 | 85% | 0.847 | 86% | 0.859 | S | S | * | * | | | trans | -99.3 | 144.7 | 167.7 | 50.9 | 0 | 0 | 0 | 0 | 108.5 | | |
| 88 | S | 53.2 | Low | 56.5 | Low | 202 Ų | 202 | 161.8 Ų | 161.8 | 100% | 1.413 | 86% | 0.858 | S | S | * | * | | | trans | 78.6 | 0 | 179.3 | -76.9 | 0 | 0 | 0 | 0 | 117.8 | | |