| 1 | M | 59.5 | Low | 79.6 | Confident | 228 Ų | 228 | 115.9 Ų | 115.9 | 100% | 1.123 | 62% | 0.618 | S | S | * | * | | | | 0 | 41.9 | 0 | -59.1 | 169.6 | 90.5 | 0 | 0 | 111.6 | | |
| 2 | G | 63.9 | Low | 80.3 | Confident | 44 Ų | 44 | 114.4 Ų | 114.4 | 45% | 0.454 | 61% | 0.609 | S | S | . | * | | | trans | -123 | -28.3 | -165.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | K6 | G2-K6 WeakPolarHBondContact O-CD 3.39Å; G2-K6 WeakPolarHBondContact O-CE 3.21Å; G2-K6 WeakPolarHBondContact O-CG 3.11Å |
| 3 | S | 76.9 | Confident | 80.6 | Confident | 78 Ų | 78 | 110.4 Ų | 110.4 | 55% | 0.545 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -93.5 | -41 | -177.9 | 53.7 | 0 | 0 | 0 | 0 | 112.6 | V5 K6 I7 | S3-V5 VanDerWaalsContact C-N 3.35Å; S3-V5 PolarHBondContact O-N 3.28Å; S3-K6 WeakPolarHBondContact O-CB 3.32Å; S3-K6 PolarHBondContact O-N 3.34Å; S3-K6 VanDerWaalsContact O-N 3.09Å; S3-I7 WeakPolarHBondContact O-CG1 3.02Å; S3-I7 PolarHBondContact O-N 3.29Å |
| 4 | E | 77.7 | Confident | 80.8 | Confident | 140 Ų | 140 | 108.1 Ų | 108.1 | 65% | 0.654 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -59.8 | -44.3 | -178.4 | -65.6 | 171 | -178.8 | 0 | 0 | 111.8 | K6 I7 I8 | E4-K6 VanDerWaalsContact C-N 3.28Å; E4-K6 PolarHBondContact O-N 3.21Å; E4-I7 PolarHBondContact O-N 3.04Å; E4-I8 WeakPolarHBondContact O-CG1 3.49Å; E4-I8 PolarHBondContact O-N 2.93Å |
| 5 | V | 81.4 | Confident | 80.9 | Confident | 96 Ų | 96 | 105.5 Ų | 105.5 | 58% | 0.582 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -61.9 | -37.3 | 176.8 | -177.1 | 0 | 0 | 0 | 0 | 111.4 | S3 I8 L9 | S3-V5 VanDerWaalsContact C-N 3.35Å; S3-V5 PolarHBondContact O-N 3.28Å; V5-I8 PolarHBondContact O-N 3.38Å; V5-L9 WeakPolarHBondContact O-CB 3.47Å; V5-L9 PolarHBondContact O-N 3.23Å |
| 6 | K | 80.6 | Confident | 80.9 | Confident | 153 Ų | 153 | 105.1 Ų | 105.1 | 67% | 0.665 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -68.3 | -38.9 | 177.7 | -68 | 177.9 | -177.1 | -174.8 | 0 | 111.9 | G2 S3 E4 L9 L10 | G2-K6 WeakPolarHBondContact O-CD 3.39Å; G2-K6 WeakPolarHBondContact O-CE 3.21Å; G2-K6 WeakPolarHBondContact O-CG 3.11Å; S3-K6 WeakPolarHBondContact O-CB 3.32Å; S3-K6 PolarHBondContact O-N 3.34Å; S3-K6 VanDerWaalsContact O-N 3.09Å; E4-K6 VanDerWaalsContact C-N 3.28Å; E4-K6 PolarHBondContact O-N 3.21Å; K6-L9 PolarHBondContact O-N 3.05Å; K6-L10 WeakPolarHBondContact O-CB 3.12Å; K6-L10 PolarHBondContact O-N 2.86Å |
| 7 | I | 85 | Confident | 80.6 | Confident | 100 Ų | 100 | 105.8 Ų | 105.8 | 51% | 0.513 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65 | -45.2 | 177.3 | -65.8 | 165.9 | 0 | 0 | 0 | 109.9 | S3 E4 L9 L10 I11 | S3-I7 WeakPolarHBondContact O-CG1 3.02Å; S3-I7 PolarHBondContact O-N 3.29Å; E4-I7 PolarHBondContact O-N 3.04Å; I7-L9 VanDerWaalsContact C-N 3.34Å; I7-L9 PolarHBondContact O-N 3.48Å; I7-L10 PolarHBondContact O-N 3.21Å; I7-I11 HydrophobicContact CG2-CD1 3.94Å; I7-I11 WeakPolarHBondContact O-CG1 3.28Å; I7-I11 PolarHBondContact O-N 2.94Å |
| 8 | I | 87.1 | Confident | 80.1 | Confident | 116 Ų | 116 | 107.2 Ų | 107.2 | 60% | 0.595 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61 | -44.4 | 176.8 | -65.9 | 167 | 0 | 0 | 0 | 110.7 | E4 V5 L10 I11 L12 | E4-I8 WeakPolarHBondContact O-CG1 3.49Å; E4-I8 PolarHBondContact O-N 2.93Å; V5-I8 PolarHBondContact O-N 3.38Å; I8-L10 VanDerWaalsContact C-N 3.33Å; I8-L10 PolarHBondContact O-N 3.25Å; I8-I11 PolarHBondContact O-N 3.27Å; I8-L12 WeakPolarHBondContact O-CB 3.38Å; I8-L12 PolarHBondContact O-N 2.91Å |
| 9 | L | 87.8 | Confident | 79.3 | Confident | 113 Ų | 113 | 106.3 Ų | 106.3 | 59% | 0.592 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -61.3 | -42.5 | 177 | -164.9 | 80 | 0 | 0 | 0 | 111.6 | V5 K6 I7 L12 V13 | V5-L9 WeakPolarHBondContact O-CB 3.47Å; V5-L9 PolarHBondContact O-N 3.23Å; K6-L9 PolarHBondContact O-N 3.05Å; I7-L9 VanDerWaalsContact C-N 3.34Å; I7-L9 PolarHBondContact O-N 3.48Å; L9-L12 PolarHBondContact O-N 3.46Å; L9-V13 WeakPolarHBondContact O-CG2 3.48Å; L9-V13 PolarHBondContact O-N 3.02Å |
| 10 | L | 87.2 | Confident | 78.4 | Confident | 107 Ų | 107 | 109.4 Ų | 109.4 | 56% | 0.56 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -62.7 | -44.5 | 178.2 | -176.6 | 66.3 | 0 | 0 | 0 | 111.6 | K6 I7 I8 L12 V13 I14 | K6-L10 WeakPolarHBondContact O-CB 3.12Å; K6-L10 PolarHBondContact O-N 2.86Å; I7-L10 PolarHBondContact O-N 3.21Å; I8-L10 VanDerWaalsContact C-N 3.33Å; I8-L10 PolarHBondContact O-N 3.25Å; L10-L12 VanDerWaalsContact C-N 3.31Å; L10-L12 PolarHBondContact O-N 3.13Å; L10-V13 PolarHBondContact O-N 2.78Å; L10-I14 HydrophobicContact CD1-CD1 4.33Å; L10-I14 HydrophobicContact CG-CD1 4Å; L10-I14 VanDerWaalsContact O-CG1 3.28Å; L10-I14 WeakPolarHBondContact O-CG1 3.08Å; L10-I14 PolarHBondContact O-N 2.8Å |
| 11 | I | 88.2 | Confident | 77.4 | Confident | 100 Ų | 100 | 111.6 Ų | 111.6 | 51% | 0.513 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -60.7 | -42.6 | 176.6 | -67.7 | 166.1 | 0 | 0 | 0 | 110.7 | I7 I8 I14 T15 | I7-I11 HydrophobicContact CG2-CD1 3.94Å; I7-I11 WeakPolarHBondContact O-CG1 3.28Å; I7-I11 PolarHBondContact O-N 2.94Å; I8-I11 PolarHBondContact O-N 3.27Å; I11-I14 PolarHBondContact O-N 2.92Å; I11-T15 WeakPolarHBondContact O-CB 3.34Å; I11-T15 PolarHBondContact O-N 3.07Å; I11-T15 PolarHBondContact O-OG1 3.16Å |
| 12 | L | 87.8 | Confident | 77.3 | Confident | 98 Ų | 98 | 106.6 Ų | 106.6 | 51% | 0.513 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.7 | -43.3 | 179.8 | -168.3 | 132.4 | 0 | 0 | 0 | 111.7 | I8 L9 L10 T15 I16 | I8-L12 WeakPolarHBondContact O-CB 3.38Å; I8-L12 PolarHBondContact O-N 2.91Å; L9-L12 PolarHBondContact O-N 3.46Å; L10-L12 VanDerWaalsContact C-N 3.31Å; L10-L12 PolarHBondContact O-N 3.13Å; L12-T15 PolarHBondContact O-N 3.46Å; L12-I16 HydrophobicContact CD2-CD1 3.65Å; L12-I16 HydrophobicContact CG-CD1 4.38Å; L12-I16 WeakPolarHBondContact O-CG1 3.25Å; L12-I16 PolarHBondContact O-N 3.4Å |
| 13 | V | 84.6 | Confident | 76.7 | Confident | 62 Ų | 62 | 107.3 Ų | 107.3 | 38% | 0.376 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.9 | -47.6 | 175.8 | 170 | 0 | 0 | 0 | 0 | 111.2 | L9 L10 T15 I16 H17 | L9-V13 WeakPolarHBondContact O-CG2 3.48Å; L9-V13 PolarHBondContact O-N 3.02Å; L10-V13 PolarHBondContact O-N 2.78Å; V13-T15 VanDerWaalsContact C-N 3.31Å; V13-T15 PolarHBondContact O-N 2.76Å; V13-I16 PolarHBondContact O-N 2.94Å; V13-H17 PolarHBondContact O-CD2 3.27Å; V13-H17 PolarHBondContact O-N 2.95Å |
| 14 | I | 83.6 | Confident | 75.5 | Confident | 79 Ų | 79 | 105.4 Ų | 105.4 | 41% | 0.405 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -58 | -46.9 | 176.8 | -69.1 | 168.4 | 0 | 0 | 0 | 110.1 | L10 I11 I16 H17 F18 | L10-I14 HydrophobicContact CD1-CD1 4.33Å; L10-I14 HydrophobicContact CG-CD1 4Å; L10-I14 VanDerWaalsContact O-CG1 3.28Å; L10-I14 WeakPolarHBondContact O-CG1 3.08Å; L10-I14 PolarHBondContact O-N 2.8Å; I11-I14 PolarHBondContact O-N 2.92Å; I14-I16 PolarHBondContact O-N 2.79Å; I14-H17 PolarHBondContact O-N 2.96Å; I14-H17 VanDerWaalsContact O-N 3.16Å; I14-F18 HydrophobicContact CG2-CD2 3.6Å; I14-F18 HydrophobicContact CG2-CE2 3.7Å; I14-F18 WeakPolarHBondContact O-CD2 3.33Å; I14-F18 PolarHBondContact O-N 3.16Å |
| 15 | T | 82.2 | Confident | 74.4 | Confident | 68 Ų | 68 | 103.3 Ų | 103.3 | 42% | 0.417 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.1 | -44.2 | -179.6 | -55.9 | 0 | 0 | 0 | 0 | 111.6 | I11 L12 V13 F18 N19 | I11-T15 WeakPolarHBondContact O-CB 3.34Å; I11-T15 PolarHBondContact O-N 3.07Å; I11-T15 PolarHBondContact O-OG1 3.16Å; L12-T15 PolarHBondContact O-N 3.46Å; V13-T15 VanDerWaalsContact C-N 3.31Å; V13-T15 PolarHBondContact O-N 2.76Å; T15-F18 PolarHBondContact O-N 3.35Å; T15-N19 VanDerWaalsContact CG2-ND2 3.28Å; T15-N19 WeakPolarHBondContact CG2-ND2 3.28Å; T15-N19 WeakPolarHBondContact O-CB 3.35Å; T15-N19 PolarHBondContact O-N 2.82Å; T15-N19 PolarHBondContact O-ND2 2.93Å |
| 16 | I | 80.6 | Confident | 73 | Confident | 100 Ų | 100 | 103.7 Ų | 103.7 | 51% | 0.513 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 176.1 | -67 | 167 | 0 | 0 | 0 | 110.9 | L12 V13 I14 N19 Y20 | L12-I16 HydrophobicContact CD2-CD1 3.65Å; L12-I16 HydrophobicContact CG-CD1 4.38Å; L12-I16 WeakPolarHBondContact O-CG1 3.25Å; L12-I16 PolarHBondContact O-N 3.4Å; V13-I16 PolarHBondContact O-N 2.94Å; I14-I16 PolarHBondContact O-N 2.79Å; I16-N19 PolarHBondContact O-N 2.73Å; I16-Y20 VanDerWaalsContact O-CB 3.25Å; I16-Y20 WeakPolarHBondContact O-CB 3.45Å; I16-Y20 PolarHBondContact O-N 3.48Å |
| 17 | H | 76.5 | Confident | 71.7 | Confident | 117 Ų | 117 | 100 Ų | 100 | 54% | 0.542 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.3 | -39.9 | 179.3 | -79.5 | -67.9 | 0 | 0 | 0 | 113.3 | V13 I14 K21 | V13-H17 PolarHBondContact O-CD2 3.27Å; V13-H17 PolarHBondContact O-N 2.95Å; I14-H17 PolarHBondContact O-N 2.96Å; I14-H17 VanDerWaalsContact O-N 3.16Å; H17-K21 WeakPolarHBondContact O-CG 3.39Å; H17-K21 PolarHBondContact O-N 3.4Å |
| 18 | F | 70.5 | Confident | 70 | Confident | 130 Ų | 130 | 103.6 Ų | 103.6 | 57% | 0.57 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -68.8 | -45.6 | 176.2 | -87.4 | -86.8 | 0 | 0 | 0 | 111.4 | I14 T15 Y20 K21 E22 | I14-F18 HydrophobicContact CG2-CD2 3.6Å; I14-F18 HydrophobicContact CG2-CE2 3.7Å; I14-F18 WeakPolarHBondContact O-CD2 3.33Å; I14-F18 PolarHBondContact O-N 3.16Å; T15-F18 PolarHBondContact O-N 3.35Å; F18-Y20 VanDerWaalsContact C-N 3.28Å; F18-Y20 PolarHBondContact O-N 3.46Å; F18-K21 PolarHBondContact O-N 3.33Å; F18-K21 VanDerWaalsContact O-N 3.16Å; F18-E22 PolarHBondContact O-N 3.43Å |
| 19 | N | 65 | Low | 68.4 | Low | 90 Ų | 90 | 100.8 Ų | 100.8 | 48% | 0.481 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.6 | -33.7 | 175.3 | -76.4 | -69.8 | 0 | 0 | 0 | 112.2 | T15 I16 A23 | T15-N19 VanDerWaalsContact CG2-ND2 3.28Å; T15-N19 WeakPolarHBondContact CG2-ND2 3.28Å; T15-N19 WeakPolarHBondContact O-CB 3.35Å; T15-N19 PolarHBondContact O-N 2.82Å; T15-N19 PolarHBondContact O-ND2 2.93Å; I16-N19 PolarHBondContact O-N 2.73Å; N19-A23 WeakPolarHBondContact O-CB 3.49Å; N19-A23 PolarHBondContact O-N 3.01Å |
| 20 | Y | 61.6 | Low | 66.5 | Low | 169 Ų | 169 | 101.4 Ų | 101.4 | 66% | 0.663 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -70.4 | -35.2 | 175.8 | -168.3 | -97.4 | 0 | 0 | 0 | 111.9 | I16 F18 A24 | I16-Y20 VanDerWaalsContact O-CB 3.25Å; I16-Y20 WeakPolarHBondContact O-CB 3.45Å; I16-Y20 PolarHBondContact O-N 3.48Å; F18-Y20 VanDerWaalsContact C-N 3.28Å; F18-Y20 PolarHBondContact O-N 3.46Å; Y20-A24 WeakPolarHBondContact O-CA 3.43Å; Y20-A24 WeakPolarHBondContact O-CB 3.38Å; Y20-A24 PolarHBondContact O-N 3.3Å |
| 21 | K | 58.6 | Low | 64.8 | Low | 155 Ų | 155 | 103.5 Ų | 103.5 | 67% | 0.674 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -68.7 | -40.4 | 173.7 | -75.8 | -177.1 | 177.7 | -175.9 | 0 | 112 | H17 F18 C25 | H17-K21 WeakPolarHBondContact O-CG 3.39Å; H17-K21 PolarHBondContact O-N 3.4Å; F18-K21 PolarHBondContact O-N 3.33Å; F18-K21 VanDerWaalsContact O-N 3.16Å; K21-C25 WeakPolarHBondContact O-CB 3.33Å; K21-C25 PolarHBondContact O-N 3Å |
| 22 | E | 55.9 | Low | 63 | Low | 124 Ų | 124 | 105 Ų | 105 | 58% | 0.579 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -69.8 | -43.5 | 175.7 | -70 | -178 | -171.4 | 0 | 0 | 111.4 | F18 C25 C26 | F18-E22 PolarHBondContact O-N 3.43Å; E22-C25 PolarHBondContact O-N 2.99Å; E22-C26 WeakPolarHBondContact O-CB 3.38Å; E22-C26 PolarHBondContact O-N 3.11Å; E22-C26 PolarHBondContact O-SG 3.49Å |
| 23 | A | 51.9 | Low | 61.2 | Low | 58 Ų | 58 | 106.9 Ų | 106.9 | 48% | 0.479 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -66.6 | -38 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | N19 C26 A27 | N19-A23 WeakPolarHBondContact O-CB 3.49Å; N19-A23 PolarHBondContact O-N 3.01Å; A23-C26 PolarHBondContact O-N 3.02Å; A23-A27 WeakPolarHBondContact O-CB 3.44Å; A23-A27 PolarHBondContact O-N 3.23Å |
| 24 | A | 51.4 | Low | 59.4 | Low | 38 Ų | 38 | 110.4 Ų | 110.4 | 31% | 0.314 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -72.6 | -28.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y20 R28 | Y20-A24 WeakPolarHBondContact O-CA 3.43Å; Y20-A24 WeakPolarHBondContact O-CB 3.38Å; Y20-A24 PolarHBondContact O-N 3.3Å; A24-R28 WeakPolarHBondContact O-CB 3.33Å; A24-R28 PolarHBondContact O-N 2.98Å; A24-R28 VanDerWaalsContact O-N 3.13Å |
| 25 | C | 54 | Low | 57.6 | Low | 96 Ų | 96 | 115.3 Ų | 115.3 | 65% | 0.649 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -70.9 | -40.8 | 172.3 | -167.5 | 0 | 0 | 0 | 0 | 111.2 | K21 E22 | K21-C25 WeakPolarHBondContact O-CB 3.33Å; K21-C25 PolarHBondContact O-N 3Å; E22-C25 PolarHBondContact O-N 2.99Å |
| 26 | C | 53.8 | Low | 56 | Low | 104 Ų | 104 | 117 Ų | 117 | 70% | 0.703 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -75.8 | -30 | 176.9 | -64.8 | 0 | 0 | 0 | 0 | 112.7 | E22 A23 | E22-C26 WeakPolarHBondContact O-CB 3.38Å; E22-C26 PolarHBondContact O-N 3.11Å; E22-C26 PolarHBondContact O-SG 3.49Å; A23-C26 PolarHBondContact O-N 3.02Å |
| 27 | A | 51.9 | Low | 54.6 | Low | 76 Ų | 76 | 120.2 Ų | 120.2 | 63% | 0.628 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -80.1 | -18.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | A23 G29 | A23-A27 WeakPolarHBondContact O-CB 3.44Å; A23-A27 PolarHBondContact O-N 3.23Å; A27-G29 VanDerWaalsContact C-N 3.26Å |
| 28 | R | 50.8 | Low | 53.1 | Low | 175 Ų | 175 | 124.1 Ų | 124.1 | 66% | 0.66 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | 1.3 | 172.3 | -96.3 | 176.4 | 137.2 | 175.6 | -7.3 | 113.9 | A24 | A24-R28 WeakPolarHBondContact O-CB 3.33Å; A24-R28 PolarHBondContact O-N 2.98Å; A24-R28 VanDerWaalsContact O-N 3.13Å |
| 29 | G | 51.8 | Low | 52.1 | Low | 57 Ų | 57 | 125.2 Ų | 125.2 | 59% | 0.588 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -97.8 | 1.9 | -169.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | A27 | A27-G29 VanDerWaalsContact C-N 3.26Š|
| 30 | D | 49.6 | Very low | 51.2 | Low | 126 Ų | 126 | 130.3 Ų | 130.3 | 67% | 0.674 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -148.2 | 46.5 | -167.9 | -153.9 | 11.3 | 0 | 0 | 0 | 115.2 | | |
| 31 | D | 51.2 | Low | 50.6 | Low | 152 Ų | 152 | 128.1 Ų | 128.1 | 81% | 0.813 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -125.6 | 10.7 | 170 | -84.3 | -31.8 | 0 | 0 | 0 | 113.2 | | |
| 32 | T | 50.8 | Low | 50 | Low | 131 Ų | 131 | 129.7 Ų | 129.7 | 80% | 0.804 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -112.2 | 2.5 | -176.1 | 41.8 | 0 | 0 | 0 | 0 | 116.4 | | |
| 33 | D | 49.2 | Very low | 49.4 | Very low | 138 Ų | 138 | 129.1 Ų | 129.1 | 74% | 0.738 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -116.1 | 5.7 | 179.7 | -99.4 | -23.9 | 0 | 0 | 0 | 116.4 | Q35 | D33-Q35 VanDerWaalsContact C-N 3.3Å; D33-Q35 PolarHBondContact O-N 3.46Å |
| 34 | T | 47 | Very low | 49.1 | Very low | 135 Ų | 135 | 133.3 Ų | 133.3 | 83% | 0.828 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | 20 | 174.9 | -36.7 | 0 | 0 | 0 | 0 | 113.6 | | |
| 35 | Q | 46.3 | Very low | 48.8 | Very low | 182 Ų | 182 | 136.3 Ų | 136.3 | 85% | 0.85 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.6 | 36.8 | 176.7 | -142.5 | -176.5 | 43.8 | 0 | 0 | 114.3 | D33 K37 | D33-Q35 VanDerWaalsContact C-N 3.3Å; D33-Q35 PolarHBondContact O-N 3.46Å; Q35-K37 PolarHBondContact O-N 2.99Å |
| 36 | S | 48.1 | Very low | 48.5 | Very low | 103 Ų | 103 | 137.9 Ų | 137.9 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | | | trans | -98.5 | 84.2 | 167.8 | -173.8 | 0 | 0 | 0 | 0 | 111 | | |
| 37 | K | 50 | Low | 48 | Very low | 168 Ų | 168 | 139.8 Ų | 139.8 | 73% | 0.73 | 77% | 0.769 | S | S | * | * | | | trans | 23.6 | 102.6 | 146.6 | -64.9 | 177.7 | 179.8 | 177.8 | 0 | 116.6 | Q35 E39 | Q35-K37 PolarHBondContact O-N 2.99Å; K37-E39 HydrophobicContact CB-CB 4.37Å; K37-E39 PolarHBondContact O-N 3.36Å |
| 38 | M | 45.9 | Very low | 47.4 | Very low | 199 Ų | 199 | 147.5 Ų | 147.5 | 98% | 0.98 | 78% | 0.782 | S | S | * | * | | | trans | -59.1 | 82.3 | 140.5 | -78.1 | -178.2 | -176.6 | 0 | 0 | 108.3 | | |
| 39 | E | 49.8 | Very low | 47.2 | Very low | 154 Ų | 154 | 146.2 Ų | 146.2 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | | | trans | -156.8 | 108.6 | 168.2 | -116.1 | 169.1 | -160.2 | 0 | 0 | 111.4 | K37 | K37-E39 HydrophobicContact CB-CB 4.37Å; K37-E39 PolarHBondContact O-N 3.36Å |
| 40 | K | 46 | Very low | 46.6 | Very low | 196 Ų | 196 | 147.9 Ų | 147.9 | 85% | 0.852 | 79% | 0.791 | S | S | * | * | | | trans | 73 | 92 | 159.7 | -68.3 | 175.2 | 176.4 | 173.6 | 0 | 117.2 | E42 | K40-E42 PolarHBondContact O-N 3.02Š|
| 41 | S | 48 | Very low | 46.4 | Very low | 124 Ų | 124 | 149.4 Ų | 149.4 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | | | trans | -38.9 | 113.1 | 137.1 | -56.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 42 | E | 47.7 | Very low | 46 | Very low | 188 Ų | 188 | 151.9 Ų | 151.9 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | | | trans | -162 | 96.5 | 140.5 | -111.3 | 168.2 | -169.5 | 0 | 0 | 108.2 | K40 N44 | K40-E42 PolarHBondContact O-N 3.02Å; E42-N44 PolarHBondContact O-N 3.3Å |
| 43 | S | 43.3 | Very low | 45.5 | Very low | 111 Ų | 111 | 149.3 Ų | 149.3 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | | | trans | -62.4 | 116.6 | 166 | 50.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 44 | N | 44.3 | Very low | 45.6 | Very low | 146 Ų | 146 | 150.3 Ų | 150.3 | 78% | 0.781 | 80% | 0.798 | S | S | * | * | | | | -169.2 | 125.3 | 129 | -107.8 | -13.6 | 0 | 0 | 0 | 112.8 | E42 | E42-N44 PolarHBondContact O-N 3.3Š|
| 45 | S | 45.6 | Very low | 46 | Very low | 101 Ų | 101 | 149.5 Ų | 149.5 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | | | | 87.8 | 143.3 | 127.9 | 77 | 0 | 0 | 0 | 0 | 118.7 | | |
| 46 | V | 47.6 | Very low | 46.5 | Very low | 129 Ų | 129 | 146 Ų | 146 | 78% | 0.782 | 78% | 0.779 | S | S | * | * | | | trans | 93.5 | 95.8 | 153.6 | -169.4 | 0 | 0 | 0 | 0 | 116 | | |
| 47 | N | 42.8 | Very low | 46.9 | Very low | 145 Ų | 145 | 144.3 Ų | 144.3 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | | | | 90.9 | 97.5 | 129.6 | -156.8 | 20.3 | 0 | 0 | 0 | 117.6 | | |
| 48 | R | 40.6 | Very low | 47.1 | Very low | 238 Ų | 238 | 143 Ų | 143 | 90% | 0.898 | 77% | 0.767 | S | S | * | * | | | trans | -77.9 | 112.4 | 161.5 | -63.5 | -179.1 | -168.1 | -179.6 | 2.7 | 108.4 | | |
| 49 | N | 44.7 | Very low | 47.6 | Very low | 148 Ų | 148 | 137.7 Ų | 137.7 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | | | trans | -167.3 | 131.8 | 143.9 | -116 | 6.8 | 0 | 0 | 0 | 113.3 | | |
| 50 | S | 40.3 | Very low | 47.9 | Very low | 92 Ų | 92 | 134.5 Ų | 134.5 | 64% | 0.643 | 74% | 0.736 | S | S | * | * | | | trans | 63.9 | 126.6 | 150 | 61 | 0 | 0 | 0 | 0 | 122 | | |
| 51 | D | 44.6 | Very low | 48.3 | Very low | 158 Ų | 158 | 132 Ų | 132 | 85% | 0.845 | 73% | 0.725 | S | S | * | * | | | trans | 69.2 | 56.3 | 142.3 | -79.8 | -21.5 | 0 | 0 | 0 | 119.5 | | |
| 52 | Y | 43.1 | Very low | 48.5 | Very low | 204 Ų | 204 | 130.4 Ų | 130.4 | 80% | 0.8 | 71% | 0.714 | S | S | * | * | | | trans | -107.6 | 67.4 | 154.2 | -85.2 | -93.4 | 0 | 0 | 0 | 110.5 | E54 | Y52-E54 PolarHBondContact O-N 3.44Š|
| 53 | G | 41.7 | Very low | 48.9 | Very low | 77 Ų | 77 | 128.1 Ų | 128.1 | 79% | 0.794 | 70% | 0.702 | S | S | * | * | | | trans | -73.1 | 69.5 | 153.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | T55 | G53-T55 PolarHBondContact O-N 3.34Š|
| 54 | E | 50.8 | Low | 49.6 | Very low | 158 Ų | 158 | 130.2 Ų | 130.2 | 74% | 0.738 | 70% | 0.704 | S | S | * | * | | | trans | -73.1 | 115.3 | -177.1 | -158.7 | 169.5 | -169.2 | 0 | 0 | 109 | Y52 I56 | Y52-E54 PolarHBondContact O-N 3.44Å; E54-I56 PolarHBondContact O-N 2.97Å |
| 55 | T | 55.2 | Low | 49.7 | Very low | 119 Ų | 119 | 127.9 Ų | 127.9 | 73% | 0.73 | 70% | 0.697 | S | S | * | * | | | trans | -41.7 | 116 | -176.5 | -44.7 | 0 | 0 | 0 | 0 | 112.5 | G53 P57 | G53-T55 PolarHBondContact O-N 3.34Å; T55-P57 WeakPolarHBondContact O-CD 3.4Å |
| 56 | I | 56.8 | Low | 49.9 | Very low | 107 Ų | 107 | 131.7 Ų | 131.7 | 55% | 0.549 | 70% | 0.701 | S | S | . | * | | | trans | -62 | 121.6 | 164.6 | -57.3 | 178.7 | 0 | 0 | 0 | 106.6 | E54 D58 I60 F61 | E54-I56 PolarHBondContact O-N 2.97Å; I56-D58 PolarHBondContact O-N 3.03Å; I56-I60 HydrophobicContact CG2-CD1 4.21Å; I56-F61 HydrophobicContact CG2-CE2 3.87Å |
| 57 | P | 56.9 | Low | 49.8 | Very low | 68 Ų | 68 | 134.2 Ų | 134.2 | 44% | 0.442 | 71% | 0.707 | S | S | . | * | | | trans | -64.4 | 124.7 | -178 | 21.3 | -28.2 | 0 | 0 | 0 | 110.1 | T55 S59 I60 | T55-P57 WeakPolarHBondContact O-CD 3.4Å; P57-S59 PolarHBondContact O-N 3.41Å; P57-I60 HydrophobicContact CG-CD1 3.62Å; P57-I60 HydrophobicContact CG-CG1 4.03Å; P57-I60 PolarHBondContact O-N 3.45Å |
| 58 | D | 52.7 | Low | 49.7 | Very low | 141 Ų | 141 | 135 Ų | 135 | 75% | 0.754 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -53.4 | -20.3 | -179.3 | -75.1 | -28.2 | 0 | 0 | 0 | 113.2 | I56 I60 F61 | I56-D58 PolarHBondContact O-N 3.03Å; D58-I60 PolarHBondContact O-N 3.4Å; D58-F61 PolarHBondContact O-N 3.35Å |
| 59 | S | 56.4 | Low | 50.2 | Low | 88 Ų | 88 | 129.9 Ų | 129.9 | 62% | 0.615 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -66.9 | -11 | 174.2 | 61.7 | 0 | 0 | 0 | 0 | 114.8 | P57 S62 | P57-S59 PolarHBondContact O-N 3.41Å; S59-S62 PolarHBondContact O-OG 2.92Å; S59-S62 VanDerWaalsContact O-OG 3.05Å |
| 60 | I | 57 | Low | 50.4 | Low | 87 Ų | 87 | 128.9 Ų | 128.9 | 45% | 0.446 | 72% | 0.722 | S | S | . | * | G | 310 helix | trans | -81.1 | -20.6 | 176.1 | -63.3 | 175.4 | 0 | 0 | 0 | 111.3 | I56 P57 D58 | I56-I60 HydrophobicContact CG2-CD1 4.21Å; P57-I60 HydrophobicContact CG-CD1 3.62Å; P57-I60 HydrophobicContact CG-CG1 4.03Å; P57-I60 PolarHBondContact O-N 3.45Å; D58-I60 PolarHBondContact O-N 3.4Å |
| 61 | F | 55 | Low | 51 | Low | 142 Ų | 142 | 130.9 Ų | 130.9 | 62% | 0.623 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -99.8 | 2 | 179.4 | -62.6 | -74 | 0 | 0 | 0 | 113.9 | I56 D58 F63 | I56-F61 HydrophobicContact CG2-CE2 3.87Å; D58-F61 PolarHBondContact O-N 3.35Å; F61-F63 PolarHBondContact O-N 3.21Å |
| 62 | S | 52.1 | Low | 51.4 | Low | 91 Ų | 91 | 129.4 Ų | 129.4 | 64% | 0.636 | 72% | 0.719 | S | S | * | * | | | trans | -76.7 | 88.4 | 169.4 | 61.1 | 0 | 0 | 0 | 0 | 110.2 | S59 | S59-S62 PolarHBondContact O-OG 2.92Å; S59-S62 VanDerWaalsContact O-OG 3.05Å |
| 63 | F | 55.7 | Low | 51.9 | Low | 140 Ų | 140 | 124.7 Ų | 124.7 | 61% | 0.614 | 71% | 0.714 | S | S | * | * | | | trans | -93.6 | 112.8 | 156.9 | -76.5 | -90.2 | 0 | 0 | 0 | 107.4 | F61 P65 | F61-F63 PolarHBondContact O-N 3.21Å; F63-P65 WeakPolarHBondContact O-CD 3.38Å; F63-P65 WeakPolarHBondContact O-CG 3.47Å |
| 64 | D | 58.5 | Low | 52.6 | Low | 155 Ų | 155 | 127.9 Ų | 127.9 | 83% | 0.829 | 71% | 0.709 | S | S | * | * | | | trans | -76.1 | 106.4 | 163.2 | -103.3 | -38.9 | 0 | 0 | 0 | 108 | F66 | D64-F66 VanDerWaalsContact C-N 3.33Å; D64-F66 PolarHBondContact O-N 3.09Å |
| 65 | P | 46.4 | Very low | 52.7 | Low | 97 Ų | 97 | 125.7 Ų | 125.7 | 63% | 0.63 | 71% | 0.707 | S | S | * | * | | | trans | -89.2 | 3.7 | -172 | -0.4 | 21.6 | 0 | 0 | 0 | 113.3 | F63 | F63-P65 WeakPolarHBondContact O-CD 3.38Å; F63-P65 WeakPolarHBondContact O-CG 3.47Å |
| 66 | F | 48.4 | Very low | 52.5 | Low | 181 Ų | 181 | 126.2 Ų | 126.2 | 79% | 0.794 | 71% | 0.705 | S | S | * | * | | | trans | -149 | 81.2 | -174.9 | -61.4 | -79.1 | 0 | 0 | 0 | 112.1 | D64 | D64-F66 VanDerWaalsContact C-N 3.33Å; D64-F66 PolarHBondContact O-N 3.09Å |
| 67 | M | 45.7 | Very low | 52.1 | Low | 183 Ų | 183 | 127.8 Ų | 127.8 | 90% | 0.901 | 72% | 0.718 | S | S | * | * | | | trans | -94 | 91 | 145.3 | -77.2 | -108.7 | 81.6 | 0 | 0 | 106.3 | | |
| 68 | A | 40.9 | Very low | 51.7 | Low | 161 Ų | 161 | 133.3 Ų | 133.3 | 100% | 1.331 | 74% | 0.743 | S | S | * | * | | | trans | -76.7 | 0 | 157.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |