| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 63.5 | Low | 82.7 | Confident | 232 Ų | 232 | 128.2 Ų | 128.2 | 100% | 1.143 | 65% | 0.65 | S | S | * | * | 0 | 0.7 | 0 | -75.7 | -163.5 | 153.9 | 0 | 0 | 114.8 | |||||
| 2 | Y | 76.5 | Confident | 83.1 | Confident | 205 Ų | 205 | 119.8 Ų | 119.8 | 80% | 0.804 | 62% | 0.619 | S | S | * | * | trans | -95.2 | -5.6 | -178.7 | -57.7 | -71.8 | 0 | 0 | 0 | 115.5 | P6 | Y2-P6 WeakPolarHBondContact O-CD 3.31Š| ||
| 3 | L | 78.5 | Confident | 83.3 | Confident | 155 Ų | 155 | 122.5 Ų | 122.5 | 81% | 0.812 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -70.1 | -35 | -175.5 | -100.2 | 78 | 0 | 0 | 0 | 114 | P6 | L3-P6 WeakPolarHBondContact O-CD 3.43Š|
| 4 | C | 79.6 | Confident | 83.7 | Confident | 97 Ų | 97 | 120.1 Ų | 120.1 | 66% | 0.655 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -84.4 | -19.2 | -176.7 | -64.1 | 0 | 0 | 0 | 0 | 113.5 | I7 S8 | C4-I7 PolarHBondContact O-N 3.43Å; C4-S8 WeakPolarHBondContact O-CB 3.38Å; C4-S8 PolarHBondContact O-N 3.07Å; C4-S8 PolarHBondContact O-OG 3.24Å; C4-S8 VanDerWaalsContact O-OG 3.07Å |
| 5 | Y | 83.1 | Confident | 83.8 | Confident | 154 Ų | 154 | 117.9 Ų | 117.9 | 60% | 0.604 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -55.9 | -48.1 | -177.5 | -175.9 | -100.5 | 0 | 0 | 0 | 114.9 | I7 S8 F9 | Y5-I7 PolarHBondContact O-N 2.88Å; Y5-S8 PolarHBondContact O-N 3.27Å; Y5-S8 PolarHBondContact O-OG 3.08Å; Y5-F9 WeakPolarHBondContact O-CB 3.37Å; Y5-F9 PolarHBondContact O-N 3.4Å; Y5-F9 VanDerWaalsContact O-N 3.08Å |
| 6 | P | 88.7 | Confident | 83.9 | Confident | 84 Ų | 84 | 117.1 Ų | 117.1 | 55% | 0.545 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -67.7 | -22.4 | -177.4 | 26.7 | -35.6 | 0 | 0 | 0 | 113.4 | Y2 L3 P10 | Y2-P6 WeakPolarHBondContact O-CD 3.31Å; L3-P6 WeakPolarHBondContact O-CD 3.43Å; P6-P10 WeakPolarHBondContact O-CD 3.36Å; P6-P10 WeakPolarHBondContact O-CG 3.4Å |
| 7 | I | 86 | Confident | 83.7 | Confident | 126 Ų | 126 | 115.6 Ų | 115.6 | 65% | 0.646 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -91.4 | -40.4 | 178.8 | -65.3 | 165 | 0 | 0 | 0 | 110.6 | C4 Y5 P10 | C4-I7 PolarHBondContact O-N 3.43Å; Y5-I7 PolarHBondContact O-N 2.88Å; I7-P10 VanDerWaalsContact O-CD 3.31Å; I7-P10 WeakPolarHBondContact O-CD 3.08Å; I7-P10 WeakPolarHBondContact O-CG 3.33Å |
| 8 | S | 88.1 | Confident | 83.8 | Confident | 62 Ų | 62 | 116.7 Ų | 116.7 | 43% | 0.434 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -73.3 | -31.6 | -176.9 | 66.6 | 0 | 0 | 0 | 0 | 112.8 | C4 Y5 L11 G12 | C4-S8 WeakPolarHBondContact O-CB 3.38Å; C4-S8 PolarHBondContact O-N 3.07Å; C4-S8 PolarHBondContact O-OG 3.24Å; C4-S8 VanDerWaalsContact O-OG 3.07Å; Y5-S8 PolarHBondContact O-N 3.27Å; Y5-S8 PolarHBondContact O-OG 3.08Å; S8-L11 PolarHBondContact O-N 3.45Å; S8-G12 PolarHBondContact O-N 3.35Å |
| 9 | F | 87.2 | Confident | 83.4 | Confident | 129 Ų | 129 | 117.1 Ų | 117.1 | 57% | 0.566 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -61.1 | -52.6 | 179.1 | -174.3 | -96.9 | 0 | 0 | 0 | 113.6 | Y5 L11 G12 Y13 | Y5-F9 WeakPolarHBondContact O-CB 3.37Å; Y5-F9 PolarHBondContact O-N 3.4Å; Y5-F9 VanDerWaalsContact O-N 3.08Å; F9-L11 VanDerWaalsContact C-N 3.31Å; F9-L11 PolarHBondContact O-N 3.32Å; F9-G12 PolarHBondContact O-N 3.24Å; F9-Y13 PolarHBondContact O-N 2.91Å |
| 10 | P | 91.2 | Very high | 82.7 | Confident | 59 Ų | 59 | 112.9 Ų | 112.9 | 38% | 0.383 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.8 | -35.5 | 177.3 | 25.3 | -34.1 | 0 | 0 | 0 | 111.9 | P6 I7 Y13 I14 | P6-P10 WeakPolarHBondContact O-CD 3.36Å; P6-P10 WeakPolarHBondContact O-CG 3.4Å; I7-P10 VanDerWaalsContact O-CD 3.31Å; I7-P10 WeakPolarHBondContact O-CD 3.08Å; I7-P10 WeakPolarHBondContact O-CG 3.33Å; P10-Y13 PolarHBondContact O-N 2.96Å; P10-I14 WeakPolarHBondContact O-CD1 3.3Å; P10-I14 VanDerWaalsContact O-CG1 3.25Å; P10-I14 WeakPolarHBondContact O-CG1 3.25Å; P10-I14 PolarHBondContact O-N 3.37Å |
| 11 | L | 87.8 | Confident | 82 | Confident | 107 Ų | 107 | 116.6 Ų | 116.6 | 56% | 0.56 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -63.9 | -44.4 | 177.6 | -154.4 | 74.4 | 0 | 0 | 0 | 111.2 | S8 F9 I14 L15 | S8-L11 PolarHBondContact O-N 3.45Å; F9-L11 VanDerWaalsContact C-N 3.31Å; F9-L11 PolarHBondContact O-N 3.32Å; L11-I14 PolarHBondContact O-N 2.86Å; L11-L15 HydrophobicContact CG-CD1 4.37Å; L11-L15 WeakPolarHBondContact O-CB 3.48Å; L11-L15 VanDerWaalsContact O-CD1 3.3Å; L11-L15 WeakPolarHBondContact O-CD1 3.39Å; L11-L15 WeakPolarHBondContact O-CG 3.26Å; L11-L15 PolarHBondContact O-N 3.44Å |
| 12 | G | 87.6 | Confident | 81.9 | Confident | 27 Ų | 27 | 112.9 Ų | 112.9 | 28% | 0.278 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.8 | -41.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S8 F9 I14 L15 D16 | S8-G12 PolarHBondContact O-N 3.35Å; F9-G12 PolarHBondContact O-N 3.24Å; G12-I14 VanDerWaalsContact C-N 3.34Å; G12-I14 PolarHBondContact O-N 3.43Å; G12-L15 WeakPolarHBondContact O-CB 3.37Å; G12-L15 PolarHBondContact O-N 3.47Å; G12-D16 PolarHBondContact O-N 2.79Å |
| 13 | Y | 85.5 | Confident | 81.1 | Confident | 155 Ų | 155 | 107.6 Ų | 107.6 | 61% | 0.608 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62.3 | -42 | 174.9 | -174.7 | -96.3 | 0 | 0 | 0 | 112.1 | F9 P10 D16 V17 | F9-Y13 PolarHBondContact O-N 2.91Å; P10-Y13 PolarHBondContact O-N 2.96Å; Y13-D16 PolarHBondContact O-N 2.97Å; Y13-V17 HydrophobicContact CD1-CG2 4.04Å; Y13-V17 HydrophobicContact CE1-CG2 3.7Å; Y13-V17 WeakPolarHBondContact O-CB 3.42Å; Y13-V17 WeakPolarHBondContact O-CG2 3.2Å; Y13-V17 PolarHBondContact O-N 2.88Å |
| 14 | I | 88.7 | Confident | 80.3 | Confident | 89 Ų | 89 | 103.3 Ų | 103.3 | 46% | 0.456 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.3 | -42.6 | 175.5 | -69.2 | 159.7 | 0 | 0 | 0 | 110.6 | P10 L11 G12 V17 I18 | P10-I14 WeakPolarHBondContact O-CD1 3.3Å; P10-I14 VanDerWaalsContact O-CG1 3.25Å; P10-I14 WeakPolarHBondContact O-CG1 3.25Å; P10-I14 PolarHBondContact O-N 3.37Å; L11-I14 PolarHBondContact O-N 2.86Å; G12-I14 VanDerWaalsContact C-N 3.34Å; G12-I14 PolarHBondContact O-N 3.43Å; I14-V17 PolarHBondContact O-N 3.26Å; I14-I18 HydrophobicContact CG2-CD1 3.62Å; I14-I18 HydrophobicContact CG2-CG1 4.33Å; I14-I18 WeakPolarHBondContact O-CB 3.24Å; I14-I18 VanDerWaalsContact O-CG1 3.26Å; I14-I18 WeakPolarHBondContact O-CG1 3.22Å; I14-I18 PolarHBondContact O-N 3.43Å |
| 15 | L | 85.6 | Confident | 79.6 | Confident | 88 Ų | 88 | 104.8 Ų | 104.8 | 46% | 0.461 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -59.5 | -47.2 | 174.8 | -79.7 | 150.9 | 0 | 0 | 0 | 111.4 | L11 G12 V17 I18 I19 | L11-L15 HydrophobicContact CG-CD1 4.37Å; L11-L15 WeakPolarHBondContact O-CB 3.48Å; L11-L15 VanDerWaalsContact O-CD1 3.3Å; L11-L15 WeakPolarHBondContact O-CD1 3.39Å; L11-L15 WeakPolarHBondContact O-CG 3.26Å; L11-L15 PolarHBondContact O-N 3.44Å; G12-L15 WeakPolarHBondContact O-CB 3.37Å; G12-L15 PolarHBondContact O-N 3.47Å; L15-V17 VanDerWaalsContact C-N 3.32Å; L15-V17 PolarHBondContact O-N 3.32Å; L15-I18 PolarHBondContact O-N 2.93Å; L15-I19 HydrophobicContact CB-CD1 4.38Å; L15-I19 HydrophobicContact CD2-CD1 4.16Å; L15-I19 VanDerWaalsContact O-CB 3.22Å; L15-I19 WeakPolarHBondContact O-CB 3.48Å; L15-I19 VanDerWaalsContact O-CG1 3.24Å; L15-I19 WeakPolarHBondContact O-CG1 3.44Å; L15-I19 PolarHBondContact O-N 2.84Å |
| 16 | D | 84.2 | Confident | 79.1 | Confident | 104 Ų | 104 | 105.4 Ų | 105.4 | 56% | 0.556 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64.7 | -35.7 | 177.7 | -76.5 | -5.1 | 0 | 0 | 0 | 112.4 | G12 Y13 G20 K21 | G12-D16 PolarHBondContact O-N 2.79Å; Y13-D16 PolarHBondContact O-N 2.97Å; D16-G20 CarbonylContact O-C 3.58Å; D16-G20 VanDerWaalsContact O-C 3.3Å; D16-G20 VanDerWaalsContact O-CA 3.23Å; D16-G20 WeakPolarHBondContact O-CA 3.23Å; D16-G20 PolarHBondContact O-N 3.46Å; D16-K21 PolarHBondContact O-N 2.93Å |
| 17 | V | 81.9 | Confident | 78.4 | Confident | 93 Ų | 93 | 107.1 Ų | 107.1 | 56% | 0.564 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -69.9 | -39.5 | 175.6 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | Y13 I14 L15 | Y13-V17 HydrophobicContact CD1-CG2 4.04Å; Y13-V17 HydrophobicContact CE1-CG2 3.7Å; Y13-V17 WeakPolarHBondContact O-CB 3.42Å; Y13-V17 WeakPolarHBondContact O-CG2 3.2Å; Y13-V17 PolarHBondContact O-N 2.88Å; I14-V17 PolarHBondContact O-N 3.26Å; L15-V17 VanDerWaalsContact C-N 3.32Å; L15-V17 PolarHBondContact O-N 3.32Å |
| 18 | I | 84 | Confident | 78.1 | Confident | 134 Ų | 134 | 109 Ų | 109 | 69% | 0.687 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -74.4 | -46.9 | 179.9 | -72.5 | 171.3 | 0 | 0 | 0 | 111.6 | I14 L15 G20 | I14-I18 HydrophobicContact CG2-CD1 3.62Å; I14-I18 HydrophobicContact CG2-CG1 4.33Å; I14-I18 WeakPolarHBondContact O-CB 3.24Å; I14-I18 VanDerWaalsContact O-CG1 3.26Å; I14-I18 WeakPolarHBondContact O-CG1 3.22Å; I14-I18 PolarHBondContact O-N 3.43Å; L15-I18 PolarHBondContact O-N 2.93Å; I18-G20 PolarHBondContact O-N 3.4Å |
| 19 | I | 77.4 | Confident | 77.8 | Confident | 125 Ų | 125 | 112.1 Ų | 112.1 | 64% | 0.641 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -71.1 | -27 | 179.9 | -65.4 | 168 | 0 | 0 | 0 | 109.8 | L15 | L15-I19 HydrophobicContact CB-CD1 4.38Å; L15-I19 HydrophobicContact CD2-CD1 4.16Å; L15-I19 VanDerWaalsContact O-CB 3.22Å; L15-I19 WeakPolarHBondContact O-CB 3.48Å; L15-I19 VanDerWaalsContact O-CG1 3.24Å; L15-I19 WeakPolarHBondContact O-CG1 3.44Å; L15-I19 PolarHBondContact O-N 2.84Å |
| 20 | G | 68.9 | Low | 77.5 | Confident | 32 Ų | 32 | 111.4 Ų | 111.4 | 33% | 0.33 | 57% | 0.571 | S | S | . | * | trans | 83.2 | 134.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | D16 I18 D22 | D16-G20 CarbonylContact O-C 3.58Å; D16-G20 VanDerWaalsContact O-C 3.3Å; D16-G20 VanDerWaalsContact O-CA 3.23Å; D16-G20 WeakPolarHBondContact O-CA 3.23Å; D16-G20 PolarHBondContact O-N 3.46Å; I18-G20 PolarHBondContact O-N 3.4Å; G20-D22 PolarHBondContact O-N 3.05Å | ||
| 21 | K | 67.5 | Low | 77.2 | Confident | 192 Ų | 192 | 111.9 Ų | 111.9 | 84% | 0.835 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -50 | 117.1 | 170.6 | -69.2 | 175.3 | 178.3 | 175.1 | 0 | 108 | D16 V23 | D16-K21 PolarHBondContact O-N 2.93Å; K21-V23 VanDerWaalsContact C-N 3.31Å; K21-V23 PolarHBondContact O-N 2.83Å |
| 22 | D | 61.1 | Low | 77.1 | Confident | 154 Ų | 154 | 109.5 Ų | 109.5 | 82% | 0.824 | 56% | 0.556 | S | S | * | * | trans | -19.4 | 90.6 | -179.6 | -71.9 | -49 | 0 | 0 | 0 | 111.5 | G20 G24 | G20-D22 PolarHBondContact O-N 3.05Å; D22-G24 PolarHBondContact O-N 2.75Å | ||
| 23 | V | 59.9 | Low | 77 | Confident | 94 Ų | 94 | 112.9 Ų | 112.9 | 57% | 0.57 | 56% | 0.563 | S | S | * | * | trans | -63.1 | 102.6 | 162.6 | -86.1 | 0 | 0 | 0 | 0 | 101.8 | K21 H25 | K21-V23 VanDerWaalsContact C-N 3.31Å; K21-V23 PolarHBondContact O-N 2.83Å; V23-H25 VanDerWaalsContact CG2-CE1 3.45Å; V23-H25 WeakPolarHBondContact CG2-CE1 3.45Å; V23-H25 VanDerWaalsContact O-CA 3.3Å; V23-H25 WeakPolarHBondContact O-CA 3.23Å; V23-H25 PolarHBondContact O-CD2 2.81Å; V23-H25 VanDerWaalsContact O-CG 3.23Å; V23-H25 PolarHBondContact O-N 2.77Å | ||
| 24 | G | 62.3 | Low | 76.9 | Confident | 64 Ų | 64 | 111 Ų | 111 | 66% | 0.66 | 56% | 0.56 | S | S | * | * | trans | -48.2 | 103 | 174.3 | 0 | 0 | 0 | 0 | 0 | 105.6 | D22 L26 | D22-G24 PolarHBondContact O-N 2.75Å; G24-L26 PolarHBondContact O-N 3.13Å | ||
| 25 | H | 65.1 | Low | 76.7 | Confident | 129 Ų | 129 | 109.5 Ų | 109.5 | 60% | 0.597 | 55% | 0.552 | S | S | * | * | trans | -74.9 | 88 | -161.4 | -80.5 | -80.4 | 0 | 0 | 0 | 105.6 | V23 Y27 | V23-H25 VanDerWaalsContact CG2-CE1 3.45Å; V23-H25 WeakPolarHBondContact CG2-CE1 3.45Å; V23-H25 VanDerWaalsContact O-CA 3.3Å; V23-H25 WeakPolarHBondContact O-CA 3.23Å; V23-H25 PolarHBondContact O-CD2 2.81Å; V23-H25 VanDerWaalsContact O-CG 3.23Å; V23-H25 PolarHBondContact O-N 2.77Å; H25-Y27 HydrophobicContact CB-CD2 4.3Å; H25-Y27 HydrophobicContact CB-CE2 3.92Å; H25-Y27 VanDerWaalsContact O-CD2 3.23Å; H25-Y27 WeakPolarHBondContact O-CD2 3.3Å; H25-Y27 PolarHBondContact O-N 2.94Å | ||
| 26 | L | 73 | Confident | 76.6 | Confident | 166 Ų | 166 | 106.2 Ų | 106.2 | 87% | 0.869 | 54% | 0.535 | S | S | * | . | trans | -70 | 82.3 | 170 | -68.6 | 171.1 | 0 | 0 | 0 | 105.6 | G24 R28 | G24-L26 PolarHBondContact O-N 3.13Å; L26-R28 PolarHBondContact O-N 2.65Å; L26-R28 VanDerWaalsContact O-N 3.16Å | ||
| 27 | Y | 74 | Confident | 76.3 | Confident | 121 Ų | 121 | 103.8 Ų | 103.8 | 48% | 0.475 | 53% | 0.526 | S | S | . | . | trans | -54.4 | 123.9 | 174.9 | -72.8 | -80.5 | 0 | 0 | 0 | 108.3 | H25 E31 L35 | H25-Y27 HydrophobicContact CB-CD2 4.3Å; H25-Y27 HydrophobicContact CB-CE2 3.92Å; H25-Y27 VanDerWaalsContact O-CD2 3.23Å; H25-Y27 WeakPolarHBondContact O-CD2 3.3Å; H25-Y27 PolarHBondContact O-N 2.94Å; Y27-E31 WeakPolarHBondContact CA-OE2 2.98Å; Y27-E31 HydrophobicContact CD1-CB 4.05Å; Y27-L35 HydrophobicContact CE1-CD2 4.36Å | ||
| 28 | R | 79.1 | Confident | 76.2 | Confident | 165 Ų | 165 | 109.3 Ų | 109.3 | 62% | 0.623 | 54% | 0.537 | S | S | * | . | trans | -60.6 | 153.5 | 169.7 | -85.8 | 179.2 | -75.7 | -118 | -4.7 | 109 | L26 Q30 E31 L32 | L26-R28 PolarHBondContact O-N 2.65Å; L26-R28 VanDerWaalsContact O-N 3.16Å; R28-Q30 PolarHBondContact O-N 2.69Å; R28-E31 HydrophobicContact CB-CB 4.5Å; R28-E31 HydrophobicContact CB-CG 4.18Å; R28-E31 IonicContact CZ-OE1 2.63Å; R28-E31 VanDerWaalsContact CZ-OE1 3.28Å; R28-E31 PolarHBondContact N-OE2 3.26Å; R28-E31 IonicContact NE-OE1 2.85Å; R28-E31 PolarHBondContact NE-OE1 3.49Å; R28-E31 IonicContact NH2-OE1 2.94Å; R28-E31 PolarHBondContact NH2-OE1 2.66Å; R28-E31 CarbonylContact O-C 3.3Å; R28-E31 WeakPolarHBondContact O-CA 3.41Å; R28-E31 WeakPolarHBondContact O-CB 3.19Å; R28-E31 PolarHBondContact O-N 3.25Å; R28-L32 PolarHBondContact O-N 2.85Å | ||
| 29 | R | 81.6 | Confident | 75.8 | Confident | 128 Ų | 128 | 108.4 Ų | 108.4 | 48% | 0.483 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -53.4 | -31.3 | 176.7 | -62.7 | 179.4 | -175.5 | 164.9 | -1.8 | 113.3 | K33 S82 | R29-K33 VanDerWaalsContact O-CB 3.28Å; R29-K33 WeakPolarHBondContact O-CB 3.3Å; R29-K33 PolarHBondContact O-N 2.9Å; R29-K33 VanDerWaalsContact O-N 3.09Å; R29-S82 PolarHBondContact NH1-O 3.42Å; R29-S82 PolarHBondContact NH1-OG 2.86Å; R29-S82 PolarHBondContact NH2-OG 2.85Å |
| 30 | Q | 81.7 | Confident | 75.2 | Confident | 113 Ų | 113 | 103.1 Ų | 103.1 | 53% | 0.528 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.4 | -52.4 | 171.7 | -98 | 147.8 | -2 | 0 | 0 | 111.5 | R28 L32 K33 E34 K83 | R28-Q30 PolarHBondContact O-N 2.69Å; Q30-L32 VanDerWaalsContact C-N 3.33Å; Q30-L32 PolarHBondContact O-N 3.11Å; Q30-K33 WeakPolarHBondContact O-CB 3.48Å; Q30-K33 PolarHBondContact O-N 2.8Å; Q30-K33 VanDerWaalsContact O-N 3.17Å; Q30-E34 WeakPolarHBondContact O-CG 3.46Å; Q30-E34 PolarHBondContact O-N 3.03Å; Q30-K83 VanDerWaalsContact CG-NZ 3.28Å; Q30-K83 VanDerWaalsContact NE2-NZ 3.2Å |
| 31 | E | 84.5 | Confident | 74.9 | Confident | 69 Ų | 69 | 103.6 Ų | 103.6 | 32% | 0.322 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.4 | -42.5 | 179.1 | -63.5 | 162.2 | -168.4 | 0 | 0 | 111.1 | Y27 R28 E34 L35 | Y27-E31 WeakPolarHBondContact CA-OE2 2.98Å; Y27-E31 HydrophobicContact CD1-CB 4.05Å; R28-E31 HydrophobicContact CB-CB 4.5Å; R28-E31 HydrophobicContact CB-CG 4.18Å; R28-E31 IonicContact CZ-OE1 2.63Å; R28-E31 VanDerWaalsContact CZ-OE1 3.28Å; R28-E31 PolarHBondContact N-OE2 3.26Å; R28-E31 IonicContact NE-OE1 2.85Å; R28-E31 PolarHBondContact NE-OE1 3.49Å; R28-E31 IonicContact NH2-OE1 2.94Å; R28-E31 PolarHBondContact NH2-OE1 2.66Å; R28-E31 CarbonylContact O-C 3.3Å; R28-E31 WeakPolarHBondContact O-CA 3.41Å; R28-E31 WeakPolarHBondContact O-CB 3.19Å; R28-E31 PolarHBondContact O-N 3.25Å; E31-E34 PolarHBondContact O-N 2.82Å; E31-L35 VanDerWaalsContact O-CB 3.27Å; E31-L35 WeakPolarHBondContact O-CB 3.49Å; E31-L35 PolarHBondContact O-N 2.95Å |
| 32 | L | 85.7 | Confident | 74.4 | Confident | 58 Ų | 58 | 104 Ų | 104 | 30% | 0.304 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.5 | -41 | 175.8 | -176.7 | 61.1 | 0 | 0 | 0 | 112 | R28 Q30 E34 L35 I36 L79 | R28-L32 PolarHBondContact O-N 2.85Å; Q30-L32 VanDerWaalsContact C-N 3.33Å; Q30-L32 PolarHBondContact O-N 3.11Å; L32-E34 VanDerWaalsContact C-N 3.31Å; L32-E34 PolarHBondContact O-N 3.16Å; L32-L35 HydrophobicContact CD1-CD2 4.45Å; L32-L35 PolarHBondContact O-N 3.45Å; L32-I36 HydrophobicContact CD1-CD1 3.85Å; L32-I36 HydrophobicContact CD1-CG1 4.09Å; L32-I36 HydrophobicContact CG-CD1 3.82Å; L32-I36 HydrophobicContact CG-CG1 4.43Å; L32-I36 WeakPolarHBondContact O-CB 3.33Å; L32-I36 WeakPolarHBondContact O-CG1 3.44Å; L32-I36 PolarHBondContact O-N 2.91Å; L32-L79 HydrophobicContact CD2-CD1 3.88Å; L32-L79 HydrophobicContact CD2-CD2 4.05Å; L32-L79 HydrophobicContact CG-CD1 3.93Å |
| 33 | K | 85.6 | Confident | 74.2 | Confident | 97 Ų | 97 | 107.8 Ų | 107.8 | 42% | 0.422 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.5 | -41.5 | 175.6 | -175.3 | -176 | 179.1 | -177.9 | 0 | 111.2 | R29 Q30 S37 R76 | R29-K33 VanDerWaalsContact O-CB 3.28Å; R29-K33 WeakPolarHBondContact O-CB 3.3Å; R29-K33 PolarHBondContact O-N 2.9Å; R29-K33 VanDerWaalsContact O-N 3.09Å; Q30-K33 WeakPolarHBondContact O-CB 3.48Å; Q30-K33 PolarHBondContact O-N 2.8Å; Q30-K33 VanDerWaalsContact O-N 3.17Å; K33-S37 VanDerWaalsContact O-CB 3.3Å; K33-S37 WeakPolarHBondContact O-CB 3.45Å; K33-S37 PolarHBondContact O-N 2.91Å; K33-R76 HydrophobicContact CG-CG 4.12Å |
| 34 | E | 83.3 | Confident | 73.9 | Confident | 117 Ų | 117 | 107.2 Ų | 107.2 | 55% | 0.547 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -71.2 | -39.4 | 176.8 | -72.3 | -178.9 | -162.1 | 0 | 0 | 112.4 | Q30 E31 L32 S37 R38 | Q30-E34 WeakPolarHBondContact O-CG 3.46Å; Q30-E34 PolarHBondContact O-N 3.03Å; E31-E34 PolarHBondContact O-N 2.82Å; L32-E34 VanDerWaalsContact C-N 3.31Å; L32-E34 PolarHBondContact O-N 3.16Å; E34-S37 CarbonylContact O-C 3.56Å; E34-S37 WeakPolarHBondContact O-CA 3.22Å; E34-S37 VanDerWaalsContact O-CB 3.28Å; E34-S37 WeakPolarHBondContact O-CB 3.38Å; E34-S37 PolarHBondContact O-N 3.17Å; E34-R38 WeakPolarHBondContact O-CG 3.28Å; E34-R38 PolarHBondContact O-N 3.43Å |
| 35 | L | 84.9 | Confident | 73.4 | Confident | 57 Ų | 57 | 110.8 Ų | 110.8 | 30% | 0.298 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.6 | -51.9 | 176.3 | -172.9 | 73.9 | 0 | 0 | 0 | 110.2 | Y27 E31 L32 S37 R38 H39 | Y27-L35 HydrophobicContact CE1-CD2 4.36Å; E31-L35 VanDerWaalsContact O-CB 3.27Å; E31-L35 WeakPolarHBondContact O-CB 3.49Å; E31-L35 PolarHBondContact O-N 2.95Å; L32-L35 HydrophobicContact CD1-CD2 4.45Å; L32-L35 PolarHBondContact O-N 3.45Å; L35-S37 PolarHBondContact O-N 3.29Å; L35-R38 PolarHBondContact O-N 3.35Å; L35-R38 VanDerWaalsContact O-N 3.11Å; L35-H39 WeakPolarHBondContact CD1-CE1 3.44Å; L35-H39 WeakPolarHBondContact O-CB 3.3Å; L35-H39 PolarHBondContact O-N 2.77Å; L35-H39 PolarHBondContact O-ND1 2.92Å |
| 36 | I | 82.5 | Confident | 72.8 | Confident | 19 Ų | 19 | 112 Ų | 112 | 10% | 0.097 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -62.8 | -27.3 | 174.9 | -64.7 | 171.9 | 0 | 0 | 0 | 110.6 | L32 G40 L67 V72 I75 L79 | L32-I36 HydrophobicContact CD1-CD1 3.85Å; L32-I36 HydrophobicContact CD1-CG1 4.09Å; L32-I36 HydrophobicContact CG-CD1 3.82Å; L32-I36 HydrophobicContact CG-CG1 4.43Å; L32-I36 WeakPolarHBondContact O-CB 3.33Å; L32-I36 WeakPolarHBondContact O-CG1 3.44Å; L32-I36 PolarHBondContact O-N 2.91Å; I36-G40 VanDerWaalsContact O-CA 3.32Å; I36-G40 WeakPolarHBondContact O-CA 3.27Å; I36-G40 PolarHBondContact O-N 2.99Å; I36-L67 HydrophobicContact CG2-CD1 4.08Å; I36-V72 HydrophobicContact CG2-CB 4.32Å; I36-V72 HydrophobicContact CG2-CG1 4.08Å; I36-V72 HydrophobicContact CG2-CG2 4.01Å; I36-I75 HydrophobicContact CD1-CB 4.4Å; I36-I75 HydrophobicContact CD1-CG2 3.43Å; I36-I75 VanDerWaalsContact CD1-CG2 3.43Å; I36-L79 HydrophobicContact CD1-CD1 4Å |
| 37 | S | 79 | Confident | 71.8 | Confident | 53 Ų | 53 | 110.3 Ų | 110.3 | 37% | 0.371 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -70.8 | -38.2 | 174.2 | -175.8 | 0 | 0 | 0 | 0 | 113.9 | K33 E34 L35 R76 | K33-S37 VanDerWaalsContact O-CB 3.3Å; K33-S37 WeakPolarHBondContact O-CB 3.45Å; K33-S37 PolarHBondContact O-N 2.91Å; E34-S37 CarbonylContact O-C 3.56Å; E34-S37 WeakPolarHBondContact O-CA 3.22Å; E34-S37 VanDerWaalsContact O-CB 3.28Å; E34-S37 WeakPolarHBondContact O-CB 3.38Å; E34-S37 PolarHBondContact O-N 3.17Å; L35-S37 PolarHBondContact O-N 3.29Å; S37-R76 VanDerWaalsContact OG-CZ 3.25Å; S37-R76 PolarHBondContact OG-NH2 2.99Å |
| 38 | R | 78.1 | Confident | 70.8 | Confident | 209 Ų | 209 | 106.3 Ų | 106.3 | 79% | 0.789 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -79 | -33.5 | 177.7 | -69.3 | 179.9 | -179.7 | -131.4 | 3 | 112.4 | E34 L35 G40 | E34-R38 WeakPolarHBondContact O-CG 3.28Å; E34-R38 PolarHBondContact O-N 3.43Å; L35-R38 PolarHBondContact O-N 3.35Å; L35-R38 VanDerWaalsContact O-N 3.11Å; R38-G40 VanDerWaalsContact C-N 3.26Å |
| 39 | H | 75.6 | Confident | 69.7 | Low | 115 Ų | 115 | 105 Ų | 105 | 53% | 0.532 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -87 | 2.2 | 174.3 | -65.1 | 78.7 | 0 | 0 | 0 | 112.8 | L35 | L35-H39 WeakPolarHBondContact CD1-CE1 3.44Å; L35-H39 WeakPolarHBondContact O-CB 3.3Å; L35-H39 PolarHBondContact O-N 2.77Å; L35-H39 PolarHBondContact O-ND1 2.92Å |
| 40 | G | 65.8 | Low | 68.5 | Low | 14 Ų | 14 | 106.8 Ų | 106.8 | 14% | 0.144 | 49% | 0.492 | C | S | . | . | S | Bend | trans | -63.1 | 163.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111 | I36 R38 R42 | I36-G40 VanDerWaalsContact O-CA 3.32Å; I36-G40 WeakPolarHBondContact O-CA 3.27Å; I36-G40 PolarHBondContact O-N 2.99Å; R38-G40 VanDerWaalsContact C-N 3.26Å; G40-R42 PolarHBondContact O-N 2.77Å; G40-R42 VanDerWaalsContact O-N 3.12Å |
| 41 | P | 63.5 | Low | 67.2 | Low | 42 Ų | 42 | 109 Ų | 109 | 27% | 0.273 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -53.1 | 129.5 | -172.4 | 29.9 | -39.8 | 0 | 0 | 0 | 108.2 | R43 L67 S69 | P41-R43 PolarHBondContact O-N 2.9Å; P41-L67 VanDerWaalsContact CA-O 3.29Å; P41-L67 WeakPolarHBondContact CA-O 3.4Å; P41-L67 WeakPolarHBondContact CB-O 3.32Å; P41-L67 WeakPolarHBondContact CD-O 3.1Å; P41-L67 VanDerWaalsContact N-O 3.13Å; P41-S69 VanDerWaalsContact CG-CA 3.43Å; P41-S69 VanDerWaalsContact CG-N 3.32Å |
| 42 | R | 56.2 | Low | 65.6 | Low | 201 Ų | 201 | 111.8 Ų | 111.8 | 76% | 0.758 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 143.3 | 158.3 | -171.2 | -179.5 | -171.9 | 128.5 | -1.5 | 105.5 | G40 D44 | G40-R42 PolarHBondContact O-N 2.77Å; G40-R42 VanDerWaalsContact O-N 3.12Å; R42-D44 WeakPolarHBondContact CA-OD1 3.16Å; R42-D44 WeakPolarHBondContact CB-OD1 3.29Å; R42-D44 WeakPolarHBondContact CG-OD1 3.35Å; R42-D44 PolarHBondContact O-N 3.06Å |
| 43 | R | 56.5 | Low | 64 | Low | 232 Ų | 232 | 116.7 Ų | 116.7 | 88% | 0.875 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | 13.7 | -165.7 | -64.7 | 170.1 | 60.2 | 83.7 | -0.7 | 114.2 | P41 H45 | P41-R43 PolarHBondContact O-N 2.9Å; R43-H45 VanDerWaalsContact C-N 3.29Å; R43-H45 PolarHBondContact O-N 3.12Å |
| 44 | D | 53 | Low | 62.2 | Low | 83 Ų | 83 | 120.5 Ų | 120.5 | 44% | 0.444 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.3 | -5 | -166.3 | 35.4 | -51.8 | 0 | 0 | 0 | 115.1 | R42 F46 Q47 | R42-D44 WeakPolarHBondContact CA-OD1 3.16Å; R42-D44 WeakPolarHBondContact CB-OD1 3.29Å; R42-D44 WeakPolarHBondContact CG-OD1 3.35Å; R42-D44 PolarHBondContact O-N 3.06Å; D44-F46 VanDerWaalsContact C-N 3.33Å; D44-F46 PolarHBondContact O-N 3.31Å; D44-Q47 WeakPolarHBondContact O-CB 3.47Å; D44-Q47 PolarHBondContact O-N 2.79Å; D44-Q47 VanDerWaalsContact O-N 3.15Å |
| 45 | H | 52.2 | Low | 60.5 | Low | 139 Ų | 139 | 119 Ų | 119 | 64% | 0.644 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -78.7 | -12.4 | 174.1 | -121.4 | -81.3 | 0 | 0 | 0 | 115 | R43 Q47 S48 | R43-H45 VanDerWaalsContact C-N 3.29Å; R43-H45 PolarHBondContact O-N 3.12Å; H45-Q47 PolarHBondContact O-N 3.44Å; H45-S48 PolarHBondContact CE1-OG 2.82Å; H45-S48 PolarHBondContact ND1-OG 3.15Å |
| 46 | F | 52.3 | Low | 58.5 | Low | 155 Ų | 155 | 124 Ų | 124 | 68% | 0.68 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -70.4 | -21.5 | 166.3 | -169.3 | -100.3 | 0 | 0 | 0 | 111.6 | D44 F50 | D44-F46 VanDerWaalsContact C-N 3.33Å; D44-F46 PolarHBondContact O-N 3.31Å; F46-F50 HydrophobicContact CE1-CE2 4.49Å; F46-F50 HydrophobicContact CZ-CE2 4.18Å |
| 47 | Q | 53.3 | Low | 56.9 | Low | 130 Ų | 130 | 131 Ų | 131 | 61% | 0.607 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -82.2 | -34.4 | 177.3 | -160.7 | 73.3 | 43.6 | 0 | 0 | 112.2 | D44 H45 L49 F50 | D44-Q47 WeakPolarHBondContact O-CB 3.47Å; D44-Q47 PolarHBondContact O-N 2.79Å; D44-Q47 VanDerWaalsContact O-N 3.15Å; H45-Q47 PolarHBondContact O-N 3.44Å; Q47-L49 PolarHBondContact O-N 2.76Å; Q47-F50 PolarHBondContact O-N 3.23Å |
| 48 | S | 52.8 | Low | 55.5 | Low | 36 Ų | 36 | 133 Ų | 133 | 25% | 0.252 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -78.4 | -17.5 | -176 | 64.7 | 0 | 0 | 0 | 0 | 114.3 | H45 F50 E51 K52 | H45-S48 PolarHBondContact CE1-OG 2.82Å; H45-S48 PolarHBondContact ND1-OG 3.15Å; S48-F50 VanDerWaalsContact C-N 3.3Å; S48-E51 PolarHBondContact O-N 2.98Å; S48-K52 VanDerWaalsContact O-CB 3.29Å; S48-K52 WeakPolarHBondContact O-CB 3.29Å; S48-K52 PolarHBondContact O-N 3.41Å |
| 49 | L | 56 | Low | 54.2 | Low | 139 Ų | 139 | 129.9 Ų | 129.9 | 73% | 0.728 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -19.9 | 173.5 | -71.4 | 177.9 | 0 | 0 | 0 | 113.5 | Q47 | Q47-L49 PolarHBondContact O-N 2.76Š|
| 50 | F | 55.7 | Low | 53.1 | Low | 164 Ų | 164 | 130.1 Ų | 130.1 | 72% | 0.719 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -7.5 | 173.3 | -86.2 | -78.2 | 0 | 0 | 0 | 114.2 | F46 Q47 S48 | F46-F50 HydrophobicContact CE1-CE2 4.49Å; F46-F50 HydrophobicContact CZ-CE2 4.18Å; Q47-F50 PolarHBondContact O-N 3.23Å; S48-F50 VanDerWaalsContact C-N 3.3Å |
| 51 | E | 54.8 | Low | 52.5 | Low | 160 Ų | 160 | 134.3 Ų | 134.3 | 75% | 0.748 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.8 | -13.9 | 176.5 | -80.7 | -175.1 | 168.6 | 0 | 0 | 114.7 | S48 E53 | S48-E51 PolarHBondContact O-N 2.98Å; E51-E53 VanDerWaalsContact C-N 3.28Å; E51-E53 PolarHBondContact O-N 3.45Å; E51-E53 VanDerWaalsContact O-N 3.11Å |
| 52 | K | 51.2 | Low | 52 | Low | 128 Ų | 128 | 140.6 Ų | 140.6 | 56% | 0.557 | 69% | 0.692 | S | S | * | * | trans | -95.1 | 64.9 | -177.8 | -149.9 | 169.3 | -172.6 | 176 | 0 | 112.1 | S48 E54 | S48-K52 VanDerWaalsContact O-CB 3.29Å; S48-K52 WeakPolarHBondContact O-CB 3.29Å; S48-K52 PolarHBondContact O-N 3.41Å; K52-E54 PolarHBondContact O-N 3.47Å | ||
| 53 | E | 51.4 | Low | 51.7 | Low | 160 Ų | 160 | 140.2 Ų | 140.2 | 75% | 0.748 | 70% | 0.696 | S | S | * | * | trans | -47.7 | 131.6 | 156.8 | -64.9 | -104.7 | 139.7 | 0 | 0 | 109.6 | E51 | E51-E53 VanDerWaalsContact C-N 3.28Å; E51-E53 PolarHBondContact O-N 3.45Å; E51-E53 VanDerWaalsContact O-N 3.11Å | ||
| 54 | E | 48 | Very low | 51.7 | Low | 177 Ų | 177 | 132.2 Ų | 132.2 | 83% | 0.827 | 68% | 0.675 | S | S | * | * | S | Bend | trans | 53.4 | 105.5 | 152.2 | -54.4 | -66.8 | 138.5 | 0 | 0 | 117.8 | K52 | K52-E54 PolarHBondContact O-N 3.47Š|
| 55 | G | 48.5 | Very low | 52.2 | Low | 87 Ų | 87 | 131.8 Ų | 131.8 | 90% | 0.897 | 69% | 0.691 | S | S | * | * | trans | 99.6 | 26.5 | 138.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 56 | K | 42.6 | Very low | 53 | Low | 160 Ų | 160 | 130.1 Ų | 130.1 | 70% | 0.696 | 68% | 0.683 | S | S | * | * | trans | -118.4 | 106.7 | 161.9 | -146.1 | 167.8 | -172.7 | 176 | 0 | 110.5 | T58 | K56-T58 PolarHBondContact O-N 3.09Š| ||
| 57 | L | 49 | Very low | 53.9 | Low | 167 Ų | 167 | 125.4 Ų | 125.4 | 87% | 0.874 | 67% | 0.665 | S | S | * | * | trans | -48.9 | 87.5 | 151.3 | -59.9 | 168.6 | 0 | 0 | 0 | 106.2 | E59 | L57-E59 PolarHBondContact O-N 2.99Š| ||
| 58 | T | 49.7 | Very low | 55 | Low | 94 Ų | 94 | 122.3 Ų | 122.3 | 58% | 0.577 | 66% | 0.658 | S | S | * | * | trans | -70.2 | 89.5 | 169.9 | 20.7 | 0 | 0 | 0 | 0 | 105 | K56 | K56-T58 PolarHBondContact O-N 3.09Š| ||
| 59 | E | 51.2 | Low | 56.4 | Low | 145 Ų | 145 | 124.2 Ų | 124.2 | 68% | 0.678 | 67% | 0.671 | S | S | * | * | trans | -27.8 | 135.6 | 149.3 | -66.8 | -103.4 | 118.1 | 0 | 0 | 108.8 | L57 T61 | L57-E59 PolarHBondContact O-N 2.99Å; E59-T61 WeakPolarHBondContact O-CA 3.28Å; E59-T61 PolarHBondContact O-N 3.43Å | ||
| 60 | P | 51.4 | Low | 57.4 | Low | 120 Ų | 120 | 124.2 Ų | 124.2 | 78% | 0.779 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -47.6 | 111.1 | -178.1 | 21.2 | -32.3 | 0 | 0 | 0 | 107.7 | Q62 | P60-Q62 PolarHBondContact O-N 3Š|
| 61 | T | 53.7 | Low | 58.7 | Low | 101 Ų | 101 | 121 Ų | 121 | 62% | 0.62 | 66% | 0.656 | S | S | * | * | trans | -49.6 | 116.5 | -160.7 | -41.3 | 0 | 0 | 0 | 0 | 108.4 | E59 F63 | E59-T61 WeakPolarHBondContact O-CA 3.28Å; E59-T61 PolarHBondContact O-N 3.43Å; T61-F63 VanDerWaalsContact C-N 3.32Å; T61-F63 PolarHBondContact O-N 3.11Å | ||
| 62 | Q | 51.9 | Low | 60.2 | Low | 175 Ų | 175 | 113.8 Ų | 113.8 | 82% | 0.818 | 62% | 0.623 | S | S | * | * | trans | -53.3 | 95 | -178.2 | -67.6 | -179.2 | -12.5 | 0 | 0 | 109.1 | P60 S64 | P60-Q62 PolarHBondContact O-N 3Å; Q62-S64 PolarHBondContact O-N 3.09Å | ||
| 63 | F | 51.2 | Low | 61.8 | Low | 193 Ų | 193 | 114.4 Ų | 114.4 | 85% | 0.846 | 63% | 0.627 | S | S | * | * | trans | 26.5 | 59.1 | 168.9 | -159.7 | -99.2 | 0 | 0 | 0 | 113.6 | T61 G65 | T61-F63 VanDerWaalsContact C-N 3.32Å; T61-F63 PolarHBondContact O-N 3.11Å; F63-G65 PolarHBondContact O-N 2.89Å | ||
| 64 | S | 55.5 | Low | 63.6 | Low | 63 Ų | 63 | 110.5 Ų | 110.5 | 44% | 0.441 | 61% | 0.614 | S | S | . | * | trans | -59 | 129 | 157.5 | 50.4 | 0 | 0 | 0 | 0 | 103.9 | Q62 Q66 | Q62-S64 PolarHBondContact O-N 3.09Å; S64-Q66 CarbonylContact O-C 3.54Å; S64-Q66 PolarHBondContact O-N 2.96Å; S64-Q66 VanDerWaalsContact O-O 3.05Å; S64-Q66 PolarHBondContact OG-O 3.22Å | ||
| 65 | G | 63.8 | Low | 65.5 | Low | 75 Ų | 75 | 104.8 Ų | 104.8 | 77% | 0.773 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -59.3 | 9.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | F63 | F63-G65 PolarHBondContact O-N 2.89Š|
| 66 | Q | 68.3 | Low | 67.4 | Low | 104 Ų | 104 | 104.7 Ų | 104.7 | 49% | 0.486 | 56% | 0.562 | S | S | . | * | S | Bend | trans | -107.3 | 126.6 | 173.7 | -59.2 | 177.5 | 0.3 | 0 | 0 | 109.1 | S64 | S64-Q66 CarbonylContact O-C 3.54Å; S64-Q66 PolarHBondContact O-N 2.96Å; S64-Q66 VanDerWaalsContact O-O 3.05Å; S64-Q66 PolarHBondContact OG-O 3.22Å |
| 67 | L | 71.2 | Confident | 69.5 | Low | 56 Ų | 56 | 99 Ų | 99 | 29% | 0.293 | 55% | 0.548 | S | S | . | . | trans | -75.2 | 142.1 | 173.5 | -63.3 | 171.3 | 0 | 0 | 0 | 109.8 | I36 P41 E71 V72 I75 | I36-L67 HydrophobicContact CG2-CD1 4.08Å; P41-L67 VanDerWaalsContact CA-O 3.29Å; P41-L67 WeakPolarHBondContact CA-O 3.4Å; P41-L67 WeakPolarHBondContact CB-O 3.32Å; P41-L67 WeakPolarHBondContact CD-O 3.1Å; P41-L67 VanDerWaalsContact N-O 3.13Å; L67-E71 WeakPolarHBondContact CA-OE2 3.26Å; L67-E71 HydrophobicContact CB-CB 4.38Å; L67-V72 HydrophobicContact CB-CG2 3.76Å; L67-V72 HydrophobicContact CD1-CG2 4.27Å; L67-I75 HydrophobicContact CD1-CD1 4.26Å | ||
| 68 | S | 78.1 | Confident | 71.5 | Confident | 65 Ų | 65 | 96.1 Ų | 96.1 | 46% | 0.455 | 53% | 0.532 | S | S | . | . | trans | -66.5 | 160.3 | 170.3 | 176 | 0 | 0 | 0 | 0 | 111.8 | M70 E71 V72 | S68-M70 PolarHBondContact O-N 3.43Å; S68-E71 PolarHBondContact N-OE2 3.32Å; S68-E71 PolarHBondContact O-N 3.47Å; S68-E71 VanDerWaalsContact O-N 3.14Å; S68-V72 WeakPolarHBondContact O-CG2 3.24Å; S68-V72 PolarHBondContact O-N 3.3Å | ||
| 69 | S | 81 | Confident | 73.4 | Confident | 76 Ų | 76 | 93.2 Ų | 93.2 | 53% | 0.531 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.3 | -36.8 | -178.5 | -172.3 | 0 | 0 | 0 | 0 | 110.9 | P41 Q73 | P41-S69 VanDerWaalsContact CG-CA 3.43Å; P41-S69 VanDerWaalsContact CG-N 3.32Å; S69-Q73 VanDerWaalsContact O-CB 3.32Å; S69-Q73 WeakPolarHBondContact O-CB 3.15Å; S69-Q73 PolarHBondContact O-N 2.82Å |
| 70 | M | 76.7 | Confident | 75.1 | Confident | 138 Ų | 138 | 87.1 Ų | 87.1 | 68% | 0.68 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.7 | -44.4 | 176.6 | -171.6 | 175.6 | -76.4 | 0 | 0 | 110.7 | S68 V72 Q73 V74 | S68-M70 PolarHBondContact O-N 3.43Å; M70-V72 PolarHBondContact O-N 2.76Å; M70-Q73 PolarHBondContact O-N 2.82Å; M70-V74 HydrophobicContact CG-CG2 4.44Å; M70-V74 WeakPolarHBondContact O-CB 3.21Å; M70-V74 VanDerWaalsContact O-CG2 3.24Å; M70-V74 WeakPolarHBondContact O-CG2 3.32Å; M70-V74 PolarHBondContact O-N 2.73Å |
| 71 | E | 83.1 | Confident | 76.8 | Confident | 98 Ų | 98 | 86.9 Ų | 86.9 | 46% | 0.458 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.8 | -45.8 | 178 | -65.8 | 174.9 | 142.7 | 0 | 0 | 111.5 | L67 S68 Q73 V74 I75 | L67-E71 WeakPolarHBondContact CA-OE2 3.26Å; L67-E71 HydrophobicContact CB-CB 4.38Å; S68-E71 PolarHBondContact N-OE2 3.32Å; S68-E71 PolarHBondContact O-N 3.47Å; S68-E71 VanDerWaalsContact O-N 3.14Å; E71-Q73 VanDerWaalsContact C-N 3.33Å; E71-Q73 PolarHBondContact O-N 3.47Å; E71-V74 PolarHBondContact O-N 2.99Å; E71-I75 WeakPolarHBondContact O-CB 3.48Å; E71-I75 WeakPolarHBondContact O-CD1 3.38Å; E71-I75 WeakPolarHBondContact O-CG1 3.47Å; E71-I75 PolarHBondContact O-N 3.1Å |
| 72 | V | 85.7 | Confident | 78.3 | Confident | 7 Ų | 7 | 85 Ų | 85 | 4% | 0.042 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -59.7 | -44.8 | 175.2 | 169.5 | 0 | 0 | 0 | 0 | 111.2 | I36 L67 S68 M70 R76 | I36-V72 HydrophobicContact CG2-CB 4.32Å; I36-V72 HydrophobicContact CG2-CG1 4.08Å; I36-V72 HydrophobicContact CG2-CG2 4.01Å; L67-V72 HydrophobicContact CB-CG2 3.76Å; L67-V72 HydrophobicContact CD1-CG2 4.27Å; S68-V72 WeakPolarHBondContact O-CG2 3.24Å; S68-V72 PolarHBondContact O-N 3.3Å; M70-V72 PolarHBondContact O-N 2.76Å; V72-R76 HydrophobicContact CG1-CG 4.3Å; V72-R76 VanDerWaalsContact CG1-NE 3.31Å; V72-R76 VanDerWaalsContact O-CB 3.24Å; V72-R76 WeakPolarHBondContact O-CB 3.46Å; V72-R76 WeakPolarHBondContact O-CG 3.39Å; V72-R76 PolarHBondContact O-N 3.14Å |
| 73 | Q | 85.9 | Confident | 79.9 | Confident | 141 Ų | 141 | 81.3 Ų | 81.3 | 66% | 0.659 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -64.3 | -43.6 | 179.2 | -174.2 | 175.8 | 8.1 | 0 | 0 | 111.6 | S69 M70 E71 G77 | S69-Q73 VanDerWaalsContact O-CB 3.32Å; S69-Q73 WeakPolarHBondContact O-CB 3.15Å; S69-Q73 PolarHBondContact O-N 2.82Å; M70-Q73 PolarHBondContact O-N 2.82Å; E71-Q73 VanDerWaalsContact C-N 3.33Å; E71-Q73 PolarHBondContact O-N 3.47Å; Q73-G77 PolarHBondContact O-N 3.06Å |
| 74 | V | 89.4 | Confident | 81.7 | Confident | 78 Ų | 78 | 78.1 Ų | 78.1 | 47% | 0.473 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.1 | -51.5 | 176.9 | 170.3 | 0 | 0 | 0 | 0 | 110.5 | M70 E71 R76 G77 I78 | M70-V74 HydrophobicContact CG-CG2 4.44Å; M70-V74 WeakPolarHBondContact O-CB 3.21Å; M70-V74 VanDerWaalsContact O-CG2 3.24Å; M70-V74 WeakPolarHBondContact O-CG2 3.32Å; M70-V74 PolarHBondContact O-N 2.73Å; E71-V74 PolarHBondContact O-N 2.99Å; V74-R76 PolarHBondContact O-N 3.22Å; V74-G77 WeakPolarHBondContact O-CA 3.49Å; V74-G77 PolarHBondContact O-N 2.81Å; V74-G77 VanDerWaalsContact O-N 3.09Å; V74-I78 HydrophobicContact CG1-CD1 3.82Å; V74-I78 WeakPolarHBondContact O-CG1 3.47Å; V74-I78 PolarHBondContact O-N 3.1Å |
| 75 | I | 88.1 | Confident | 83.3 | Confident | 58 Ų | 58 | 78.8 Ų | 78.8 | 30% | 0.297 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.3 | -42.5 | -179.1 | -61.3 | 161.6 | 0 | 0 | 0 | 110.7 | I36 L67 E71 G77 I78 L79 | I36-I75 HydrophobicContact CD1-CB 4.4Å; I36-I75 HydrophobicContact CD1-CG2 3.43Å; I36-I75 VanDerWaalsContact CD1-CG2 3.43Å; L67-I75 HydrophobicContact CD1-CD1 4.26Å; E71-I75 WeakPolarHBondContact O-CB 3.48Å; E71-I75 WeakPolarHBondContact O-CD1 3.38Å; E71-I75 WeakPolarHBondContact O-CG1 3.47Å; E71-I75 PolarHBondContact O-N 3.1Å; I75-G77 VanDerWaalsContact C-N 3.3Å; I75-G77 PolarHBondContact O-N 3.29Å; I75-I78 PolarHBondContact O-N 2.88Å; I75-L79 HydrophobicContact CG2-CD1 3.72Å; I75-L79 HydrophobicContact CG2-CG 4.07Å; I75-L79 VanDerWaalsContact O-CB 3.29Å; I75-L79 WeakPolarHBondContact O-CB 3.48Å; I75-L79 VanDerWaalsContact O-CG 3.26Å; I75-L79 WeakPolarHBondContact O-CG 3.46Å; I75-L79 PolarHBondContact O-N 2.88Å |
| 76 | R | 87 | Confident | 84.5 | Confident | 85 Ų | 85 | 78.3 Ų | 78.3 | 32% | 0.321 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63 | -37.4 | 174.2 | -74.5 | -176.1 | -168.5 | -173.8 | 22.4 | 112.5 | K33 S37 V72 V74 G80 | K33-R76 HydrophobicContact CG-CG 4.12Å; S37-R76 VanDerWaalsContact OG-CZ 3.25Å; S37-R76 PolarHBondContact OG-NH2 2.99Å; V72-R76 HydrophobicContact CG1-CG 4.3Å; V72-R76 VanDerWaalsContact CG1-NE 3.31Å; V72-R76 VanDerWaalsContact O-CB 3.24Å; V72-R76 WeakPolarHBondContact O-CB 3.46Å; V72-R76 WeakPolarHBondContact O-CG 3.39Å; V72-R76 PolarHBondContact O-N 3.14Å; V74-R76 PolarHBondContact O-N 3.22Å; R76-G80 WeakPolarHBondContact O-CA 3.41Å; R76-G80 PolarHBondContact O-N 2.85Å |
| 77 | G | 88.4 | Confident | 85.4 | Confident | 39 Ų | 39 | 78.1 Ų | 78.1 | 40% | 0.402 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.3 | -55.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q73 V74 I75 G80 L81 | Q73-G77 PolarHBondContact O-N 3.06Å; V74-G77 WeakPolarHBondContact O-CA 3.49Å; V74-G77 PolarHBondContact O-N 2.81Å; V74-G77 VanDerWaalsContact O-N 3.09Å; I75-G77 VanDerWaalsContact C-N 3.3Å; I75-G77 PolarHBondContact O-N 3.29Å; G77-G80 CarbonylContact O-C 3.56Å; G77-G80 WeakPolarHBondContact O-CA 3.24Å; G77-G80 PolarHBondContact O-N 3.14Å; G77-G80 VanDerWaalsContact O-N 3.1Å; G77-L81 WeakPolarHBondContact O-CG 3.43Å; G77-L81 PolarHBondContact O-N 3.04Å |
| 78 | I | 90.5 | Very high | 86.2 | Confident | 107 Ų | 107 | 80.3 Ų | 80.3 | 55% | 0.549 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.9 | -48.7 | -179.9 | -64.7 | 169 | 0 | 0 | 0 | 111.6 | V74 I75 G80 L81 S82 | V74-I78 HydrophobicContact CG1-CD1 3.82Å; V74-I78 WeakPolarHBondContact O-CG1 3.47Å; V74-I78 PolarHBondContact O-N 3.1Å; I75-I78 PolarHBondContact O-N 2.88Å; I78-G80 PolarHBondContact O-N 2.83Å; I78-L81 WeakPolarHBondContact O-CB 3.29Å; I78-L81 PolarHBondContact O-N 3.27Å; I78-L81 VanDerWaalsContact O-N 3.14Å; I78-S82 PolarHBondContact O-N 2.91Å |
| 79 | L | 88.6 | Confident | 86.5 | Confident | 33 Ų | 33 | 80.9 Ų | 80.9 | 17% | 0.173 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -60.5 | -33 | 175.6 | -71.6 | 176.3 | 0 | 0 | 0 | 111.8 | L32 I36 I75 | L32-L79 HydrophobicContact CD2-CD1 3.88Å; L32-L79 HydrophobicContact CD2-CD2 4.05Å; L32-L79 HydrophobicContact CG-CD1 3.93Å; I36-L79 HydrophobicContact CD1-CD1 4Å; I75-L79 HydrophobicContact CG2-CD1 3.72Å; I75-L79 HydrophobicContact CG2-CG 4.07Å; I75-L79 VanDerWaalsContact O-CB 3.29Å; I75-L79 WeakPolarHBondContact O-CB 3.48Å; I75-L79 VanDerWaalsContact O-CG 3.26Å; I75-L79 WeakPolarHBondContact O-CG 3.46Å; I75-L79 PolarHBondContact O-N 2.88Å |
| 80 | G | 87.3 | Confident | 86.9 | Confident | 18 Ų | 18 | 83 Ų | 83 | 19% | 0.186 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -66.5 | -45.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | R76 G77 I78 S82 K83 K84 | R76-G80 WeakPolarHBondContact O-CA 3.41Å; R76-G80 PolarHBondContact O-N 2.85Å; G77-G80 CarbonylContact O-C 3.56Å; G77-G80 WeakPolarHBondContact O-CA 3.24Å; G77-G80 PolarHBondContact O-N 3.14Å; G77-G80 VanDerWaalsContact O-N 3.1Å; I78-G80 PolarHBondContact O-N 2.83Å; G80-S82 PolarHBondContact O-N 3.43Å; G80-K83 PolarHBondContact O-N 3.09Å; G80-K84 WeakPolarHBondContact O-CG 3.45Å; G80-K84 PolarHBondContact O-N 3.39Å; G80-K84 VanDerWaalsContact O-N 3.1Å |
| 81 | L | 88.1 | Confident | 87.4 | Confident | 115 Ų | 115 | 81 Ų | 81 | 60% | 0.602 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -57.3 | -34.8 | 178 | -68 | -178.3 | 0 | 0 | 0 | 112.1 | G77 I78 K83 K84 | G77-L81 WeakPolarHBondContact O-CG 3.43Å; G77-L81 PolarHBondContact O-N 3.04Å; I78-L81 WeakPolarHBondContact O-CB 3.29Å; I78-L81 PolarHBondContact O-N 3.27Å; I78-L81 VanDerWaalsContact O-N 3.14Å; L81-K83 PolarHBondContact O-N 3.43Å; L81-K84 HydrophobicContact CD2-CD 4.27Å; L81-K84 PolarHBondContact O-N 3.5Å; L81-K84 VanDerWaalsContact O-N 3.1Å |
| 82 | S | 85.4 | Confident | 87.5 | Confident | 61 Ų | 61 | 79.7 Ų | 79.7 | 43% | 0.427 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -15.4 | 178 | -154.8 | 0 | 0 | 0 | 0 | 114.4 | R29 I78 G80 | R29-S82 PolarHBondContact NH1-O 3.42Å; R29-S82 PolarHBondContact NH1-OG 2.86Å; R29-S82 PolarHBondContact NH2-OG 2.85Å; I78-S82 PolarHBondContact O-N 2.91Å; G80-S82 PolarHBondContact O-N 3.43Å |
| 83 | K | 84.1 | Confident | 87.4 | Confident | 98 Ų | 98 | 86.6 Ų | 86.6 | 43% | 0.426 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | -16 | 173.9 | -65.1 | -172 | 175.3 | -168.4 | 0 | 113.4 | Q30 G80 L81 | Q30-K83 VanDerWaalsContact CG-NZ 3.28Å; Q30-K83 VanDerWaalsContact NE2-NZ 3.2Å; G80-K83 PolarHBondContact O-N 3.09Å; L81-K83 PolarHBondContact O-N 3.43Å |
| 84 | K | 89.1 | Confident | 87.2 | Confident | 126 Ų | 126 | 85.7 Ų | 85.7 | 55% | 0.548 | 50% | 0.496 | S | S | . | . | trans | -72.1 | 130.9 | 177.8 | -71.1 | -161.9 | -179.8 | -163 | 0 | 108.9 | G80 L81 D88 | G80-K84 WeakPolarHBondContact O-CG 3.45Å; G80-K84 PolarHBondContact O-N 3.39Å; G80-K84 VanDerWaalsContact O-N 3.1Å; L81-K84 HydrophobicContact CD2-CD 4.27Å; L81-K84 PolarHBondContact O-N 3.5Å; L81-K84 VanDerWaalsContact O-N 3.1Å; K84-D88 HydrophobicContact CB-CB 4.4Å | ||
| 85 | T | 89.5 | Confident | 86.5 | Confident | 76 Ų | 76 | 86.5 Ų | 86.5 | 47% | 0.466 | 49% | 0.493 | S | S | . | . | trans | -93.6 | 165.2 | 171.6 | 65.6 | 0 | 0 | 0 | 0 | 109.8 | S87 D88 A89 | T85-S87 PolarHBondContact O-N 3.27Å; T85-S87 PolarHBondContact OG1-N 2.85Å; T85-D88 PolarHBondContact N-OD2 2.63Å; T85-D88 WeakPolarHBondContact O-CB 3.21Å; T85-D88 PolarHBondContact O-N 3.49Å; T85-D88 PolarHBondContact OG1-N 2.79Å; T85-D88 PolarHBondContact OG1-OD2 3.1Å; T85-A89 PolarHBondContact O-N 2.84Å | ||
| 86 | A | 88.1 | Confident | 86.1 | Confident | 65 Ų | 65 | 87.6 Ų | 87.6 | 54% | 0.537 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -54 | -33.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | D88 A89 L90 | A86-D88 PolarHBondContact O-N 3.19Å; A86-A89 PolarHBondContact O-N 3.18Å; A86-L90 HydrophobicContact CB-CD1 3.93Å; A86-L90 HydrophobicContact CB-CG 4.46Å; A86-L90 WeakPolarHBondContact O-CB 3.47Å; A86-L90 WeakPolarHBondContact O-CG 3.37Å; A86-L90 PolarHBondContact O-N 3.27Å |
| 87 | S | 88.4 | Confident | 85.4 | Confident | 101 Ų | 101 | 89.6 Ų | 89.6 | 71% | 0.706 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.7 | -28.7 | 175.2 | -169 | 0 | 0 | 0 | 0 | 113.6 | T85 | T85-S87 PolarHBondContact O-N 3.27Å; T85-S87 PolarHBondContact OG1-N 2.85Å |
| 88 | D | 86.8 | Confident | 85 | Confident | 102 Ų | 102 | 93.8 Ų | 93.8 | 55% | 0.545 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -84.6 | -21.2 | 178.5 | -55.5 | -53.8 | 0 | 0 | 0 | 112.5 | K84 T85 A86 | K84-D88 HydrophobicContact CB-CB 4.4Å; T85-D88 PolarHBondContact N-OD2 2.63Å; T85-D88 WeakPolarHBondContact O-CB 3.21Å; T85-D88 PolarHBondContact O-N 3.49Å; T85-D88 PolarHBondContact OG1-N 2.79Å; T85-D88 PolarHBondContact OG1-OD2 3.1Å; A86-D88 PolarHBondContact O-N 3.19Å |
| 89 | A | 84.9 | Confident | 84.5 | Confident | 77 Ų | 77 | 90.6 Ų | 90.6 | 64% | 0.636 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -101 | -27.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113 | T85 A86 | T85-A89 PolarHBondContact O-N 2.84Å; A86-A89 PolarHBondContact O-N 3.18Å |
| 90 | L | 90 | Very high | 84.3 | Confident | 119 Ų | 119 | 91.5 Ų | 91.5 | 62% | 0.623 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -96 | 146.3 | -175.2 | -62.2 | 176.7 | 0 | 0 | 0 | 111.3 | A86 | A86-L90 HydrophobicContact CB-CD1 3.93Å; A86-L90 HydrophobicContact CB-CG 4.46Å; A86-L90 WeakPolarHBondContact O-CB 3.47Å; A86-L90 WeakPolarHBondContact O-CG 3.37Å; A86-L90 PolarHBondContact O-N 3.27Å |
| 91 | V | 87.9 | Confident | 84.1 | Confident | 97 Ų | 97 | 100.6 Ų | 100.6 | 59% | 0.588 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -76 | 127 | 169.5 | 179.6 | 0 | 0 | 0 | 0 | 108.3 | K95 V96 | V91-K95 HydrophobicContact CG1-CB 3.67Å; V91-V96 HydrophobicContact CB-CG2 4.26Å; V91-V96 HydrophobicContact CG1-CG2 3.97Å |
| 92 | P | 84.6 | Confident | 83.9 | Confident | 71 Ų | 71 | 102.7 Ų | 102.7 | 46% | 0.461 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -55 | 142.4 | 175.1 | -29.6 | 38 | 0 | 0 | 0 | 112.6 | N94 K95 | P92-N94 WeakPolarHBondContact CB-OD1 3.19Å; P92-N94 PolarHBondContact O-N 2.86Å; P92-N94 VanDerWaalsContact O-N 3.1Å; P92-K95 PolarHBondContact O-N 3.29Å |
| 93 | L | 83.4 | Confident | 83.6 | Confident | 151 Ų | 151 | 101.8 Ų | 101.8 | 79% | 0.791 | 54% | 0.542 | S | S | * | . | G | 310 helix | trans | -59.4 | -27.9 | -173.7 | -172.3 | 63.9 | 0 | 0 | 0 | 113.6 | K95 V96 | L93-K95 PolarHBondContact O-N 2.93Å; L93-V96 HydrophobicContact CD1-CB 4.43Å; L93-V96 PolarHBondContact O-N 2.85Å |
| 94 | N | 81.6 | Confident | 83.4 | Confident | 122 Ų | 122 | 104.6 Ų | 104.6 | 65% | 0.652 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -69.6 | -13.8 | 175.2 | 65.9 | -29.2 | 0 | 0 | 0 | 113.9 | P92 | P92-N94 WeakPolarHBondContact CB-OD1 3.19Å; P92-N94 PolarHBondContact O-N 2.86Å; P92-N94 VanDerWaalsContact O-N 3.1Å |
| 95 | K | 74.4 | Confident | 83.1 | Confident | 95 Ų | 95 | 104.3 Ų | 104.3 | 41% | 0.413 | 56% | 0.56 | S | S | . | * | G | 310 helix | trans | -104.1 | 3.9 | 174.2 | -64.4 | -172.6 | 172.6 | -164.8 | 0 | 112.7 | V91 P92 L93 E131 | V91-K95 HydrophobicContact CG1-CB 3.67Å; P92-K95 PolarHBondContact O-N 3.29Å; L93-K95 PolarHBondContact O-N 2.93Å; K95-E131 WeakPolarHBondContact CE-OE1 3.43Å; K95-E131 IonicContact NZ-OE1 3.62Å; K95-E131 PolarHBondContact NZ-OE1 3.15Å |
| 96 | V | 79.6 | Confident | 82.8 | Confident | 81 Ų | 81 | 105.3 Ų | 105.3 | 49% | 0.491 | 56% | 0.562 | S | S | . | * | trans | -102 | 132.6 | 178 | 179.8 | 0 | 0 | 0 | 0 | 108.7 | V91 L93 | V91-V96 HydrophobicContact CB-CG2 4.26Å; V91-V96 HydrophobicContact CG1-CG2 3.97Å; L93-V96 HydrophobicContact CD1-CB 4.43Å; L93-V96 PolarHBondContact O-N 2.85Å | ||
| 97 | F | 73.1 | Confident | 82.4 | Confident | 128 Ų | 128 | 110.8 Ų | 110.8 | 56% | 0.561 | 57% | 0.574 | S | S | * | * | trans | -103.3 | 146.2 | 172.7 | 67.8 | -85.4 | 0 | 0 | 0 | 109.8 | V99 V113 | F97-V99 HydrophobicContact CD2-CG2 3.54Å; F97-V99 HydrophobicContact CE2-CG2 3.59Å; F97-V113 HydrophobicContact CB-CG1 4.13Å; F97-V113 HydrophobicContact CD1-CG1 4.05Å; F97-V113 HydrophobicContact CD2-CG1 3.74Å; F97-V113 HydrophobicContact CE1-CG1 4.41Å; F97-V113 HydrophobicContact CE2-CG1 4.13Å; F97-V113 HydrophobicContact CG-CG1 3.7Å; F97-V113 HydrophobicContact CZ-CG1 4.46Å | ||
| 98 | M | 79.8 | Confident | 81.9 | Confident | 126 Ų | 126 | 113.8 Ų | 113.8 | 62% | 0.621 | 58% | 0.577 | S | S | * | * | trans | -119 | 125.6 | 173.6 | -171.2 | 175.7 | 83 | 0 | 0 | 107.7 | ||||
| 99 | V | 80.7 | Confident | 81.4 | Confident | 41 Ų | 41 | 110.4 Ų | 110.4 | 25% | 0.248 | 56% | 0.557 | C | S | . | * | trans | -102.4 | 140.4 | 177.8 | -175.8 | 0 | 0 | 0 | 0 | 107.7 | F97 D103 I105 F109 | F97-V99 HydrophobicContact CD2-CG2 3.54Å; F97-V99 HydrophobicContact CE2-CG2 3.59Å; V99-D103 HydrophobicContact CG1-CB 3.59Å; V99-I105 HydrophobicContact CG1-CG1 4.46Å; V99-F109 HydrophobicContact CB-CE1 4.44Å; V99-F109 HydrophobicContact CB-CZ 4.4Å; V99-F109 HydrophobicContact CG1-CE1 3.75Å; V99-F109 HydrophobicContact CG1-CZ 3.74Å; V99-F109 HydrophobicContact CG2-CE1 3.78Å; V99-F109 HydrophobicContact CG2-CZ 3.96Å | ||
| 100 | D | 83.8 | Confident | 81.1 | Confident | 52 Ų | 52 | 109.5 Ų | 109.5 | 28% | 0.278 | 54% | 0.544 | S | S | . | . | trans | -71.9 | 150.4 | 172.9 | -151.3 | -50.3 | 0 | 0 | 0 | 110.1 | Q102 D103 R140 | D100-Q102 PolarHBondContact O-N 3.31Å; D100-Q102 PolarHBondContact OD1-N 3.41Å; D100-D103 HydrophobicContact CB-CB 4.46Å; D100-D103 WeakPolarHBondContact CB-OD2 3.48Å; D100-D103 PolarHBondContact N-OD2 2.69Å; D100-D103 WeakPolarHBondContact O-CB 3.2Å; D100-D103 PolarHBondContact O-N 3Å; D100-D103 VanDerWaalsContact O-N 3.1Å; D100-R140 IonicContact OD2-CZ 3.28Å; D100-R140 IonicContact OD2-NE 2.77Å; D100-R140 IonicContact OD2-NH2 3.49Å; D100-R140 PolarHBondContact OD2-NH2 2.76Å | ||
| 101 | Y | 83.2 | Confident | 80.4 | Confident | 209 Ų | 209 | 106.3 Ų | 106.3 | 82% | 0.82 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -27.5 | 176.2 | -180 | -94.1 | 0 | 0 | 0 | 112 | ||
| 102 | Q | 84.2 | Confident | 79.7 | Confident | 158 Ų | 158 | 108.9 Ų | 108.9 | 74% | 0.738 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -1.1 | 179 | -55.8 | -65.9 | 1.5 | 0 | 0 | 113.6 | D100 | D100-Q102 PolarHBondContact O-N 3.31Å; D100-Q102 PolarHBondContact OD1-N 3.41Å |
| 103 | D | 77.7 | Confident | 79.2 | Confident | 43 Ų | 43 | 106.5 Ų | 106.5 | 23% | 0.23 | 52% | 0.515 | C | S | . | . | trans | -80.8 | 127.8 | 178.8 | -68.6 | -27.1 | 0 | 0 | 0 | 110.4 | V99 D100 I105 F109 Y138 | V99-D103 HydrophobicContact CG1-CB 3.59Å; D100-D103 HydrophobicContact CB-CB 4.46Å; D100-D103 WeakPolarHBondContact CB-OD2 3.48Å; D100-D103 PolarHBondContact N-OD2 2.69Å; D100-D103 WeakPolarHBondContact O-CB 3.2Å; D100-D103 PolarHBondContact O-N 3Å; D100-D103 VanDerWaalsContact O-N 3.1Å; D103-I105 PolarHBondContact O-N 2.89Å; D103-F109 HydrophobicContact CB-CZ 4.45Å; D103-Y138 VanDerWaalsContact CG-OH 3.23Å; D103-Y138 PolarHBondContact OD1-OH 3.1Å; D103-Y138 PolarHBondContact OD2-OH 3.22Å | ||
| 104 | E | 81.4 | Confident | 78.6 | Confident | 156 Ų | 156 | 102.9 Ų | 102.9 | 73% | 0.729 | 50% | 0.495 | S | S | * | . | trans | -77.2 | 119.2 | 170.8 | -68.8 | -177.8 | 171.4 | 0 | 0 | 110 | D106 | E104-D106 PolarHBondContact O-N 3.26Š| ||
| 105 | I | 82.5 | Confident | 77.9 | Confident | 120 Ų | 120 | 98 Ų | 98 | 62% | 0.615 | 47% | 0.474 | S | S | * | . | trans | -81.1 | 74.3 | 178.8 | -53.9 | 177.7 | 0 | 0 | 0 | 109.1 | V99 D103 F109 V110 | V99-I105 HydrophobicContact CG1-CG1 4.46Å; D103-I105 PolarHBondContact O-N 2.89Å; I105-F109 HydrophobicContact CG1-CD1 4.48Å; I105-F109 HydrophobicContact CG2-CD1 4.35Å; I105-V110 HydrophobicContact CG2-CG2 3.64Å | ||
| 106 | D | 83.2 | Confident | 77.4 | Confident | 97 Ų | 97 | 94 Ų | 94 | 52% | 0.519 | 46% | 0.457 | S | S | . | . | trans | -83.1 | 161 | 172.3 | -87.6 | -20.4 | 0 | 0 | 0 | 112.1 | E104 E108 F109 V110 | E104-D106 PolarHBondContact O-N 3.26Å; D106-E108 PolarHBondContact O-N 2.87Å; D106-E108 VanDerWaalsContact O-N 3.15Å; D106-F109 WeakPolarHBondContact O-CA 3.45Å; D106-F109 WeakPolarHBondContact O-CB 2.98Å; D106-F109 PolarHBondContact O-N 3.39Å; D106-V110 PolarHBondContact O-N 3.47Å | ||
| 107 | K | 79.4 | Confident | 76.4 | Confident | 181 Ų | 181 | 96.2 Ų | 96.2 | 79% | 0.787 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -51.8 | -39.4 | 175 | -66.8 | 179.6 | -177.1 | 176 | 0 | 111.4 | V110 L111 | K107-V110 PolarHBondContact O-N 3.29Å; K107-L111 WeakPolarHBondContact O-CB 3.31Å; K107-L111 WeakPolarHBondContact O-CG 3.07Å; K107-L111 PolarHBondContact O-N 3.17Å |
| 108 | E | 77.1 | Confident | 75.9 | Confident | 163 Ų | 163 | 92.5 Ų | 92.5 | 76% | 0.762 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -65 | -40.6 | 176 | -63.9 | -171.3 | 177.4 | 0 | 0 | 112.5 | D106 L111 K112 | D106-E108 PolarHBondContact O-N 2.87Å; D106-E108 VanDerWaalsContact O-N 3.15Å; E108-L111 PolarHBondContact O-N 3.27Å; E108-K112 WeakPolarHBondContact O-CB 3.13Å; E108-K112 PolarHBondContact O-N 2.81Å |
| 109 | F | 77.7 | Confident | 75.2 | Confident | 31 Ų | 31 | 94 Ų | 94 | 14% | 0.136 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 175.3 | -177.8 | -100.2 | 0 | 0 | 0 | 111.3 | V99 D103 I105 D106 L111 K112 V113 Y138 | V99-F109 HydrophobicContact CB-CE1 4.44Å; V99-F109 HydrophobicContact CB-CZ 4.4Å; V99-F109 HydrophobicContact CG1-CE1 3.75Å; V99-F109 HydrophobicContact CG1-CZ 3.74Å; V99-F109 HydrophobicContact CG2-CE1 3.78Å; V99-F109 HydrophobicContact CG2-CZ 3.96Å; D103-F109 HydrophobicContact CB-CZ 4.45Å; I105-F109 HydrophobicContact CG1-CD1 4.48Å; I105-F109 HydrophobicContact CG2-CD1 4.35Å; D106-F109 WeakPolarHBondContact O-CA 3.45Å; D106-F109 WeakPolarHBondContact O-CB 2.98Å; D106-F109 PolarHBondContact O-N 3.39Å; F109-L111 PolarHBondContact O-N 2.8Å; F109-K112 WeakPolarHBondContact O-CB 3.44Å; F109-K112 PolarHBondContact O-N 2.92Å; F109-V113 HydrophobicContact CD1-CG2 3.98Å; F109-V113 HydrophobicContact CD2-CG2 4.46Å; F109-V113 HydrophobicContact CE1-CG2 3.59Å; F109-V113 HydrophobicContact CE2-CG2 4.1Å; F109-V113 HydrophobicContact CG-CG2 4.4Å; F109-V113 HydrophobicContact CZ-CG2 3.65Å; F109-V113 WeakPolarHBondContact O-CB 3.3Å; F109-V113 VanDerWaalsContact O-CG2 3.3Å; F109-V113 WeakPolarHBondContact O-CG2 3.42Å; F109-V113 PolarHBondContact O-N 3.32Å; F109-Y138 HydrophobicContact CE2-CD2 4.45Å; F109-Y138 AromaticContact CE2-CE2 3.98Å; F109-Y138 HydrophobicContact CE2-CE2 3.98Å; F109-Y138 HydrophobicContact CZ-CE2 4.36Å |
| 110 | V | 78.5 | Confident | 74.5 | Confident | 59 Ų | 59 | 99.3 Ų | 99.3 | 36% | 0.358 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.6 | -45.9 | 175.7 | 175.6 | 0 | 0 | 0 | 0 | 110.9 | I105 D106 K107 K112 V113 I114 | I105-V110 HydrophobicContact CG2-CG2 3.64Å; D106-V110 PolarHBondContact O-N 3.47Å; K107-V110 PolarHBondContact O-N 3.29Å; V110-K112 VanDerWaalsContact C-N 3.33Å; V110-K112 PolarHBondContact O-N 3.45Å; V110-V113 PolarHBondContact O-N 3.47Å; V110-I114 HydrophobicContact CG1-CD1 3.54Å; V110-I114 HydrophobicContact CG1-CG1 4.28Å; V110-I114 VanDerWaalsContact O-CG1 3.26Å; V110-I114 WeakPolarHBondContact O-CG1 3.47Å; V110-I114 PolarHBondContact O-N 2.98Å |
| 111 | L | 74.9 | Confident | 73.6 | Confident | 52 Ų | 52 | 100.3 Ų | 100.3 | 27% | 0.272 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.4 | -42.8 | 176 | -71.6 | 172.6 | 0 | 0 | 0 | 111.6 | K107 E108 F109 G115 I116 V122 | K107-L111 WeakPolarHBondContact O-CB 3.31Å; K107-L111 WeakPolarHBondContact O-CG 3.07Å; K107-L111 PolarHBondContact O-N 3.17Å; E108-L111 PolarHBondContact O-N 3.27Å; F109-L111 PolarHBondContact O-N 2.8Å; L111-G115 PolarHBondContact O-N 3.1Å; L111-I116 CarbonylContact C-O 3.53Å; L111-I116 CarbonylContact O-C 3.55Å; L111-I116 PolarHBondContact O-N 3.29Å; L111-I116 VanDerWaalsContact O-O 3.06Å; L111-V122 HydrophobicContact CD2-CG2 3.61Å |
| 112 | K | 73.5 | Confident | 72.7 | Confident | 150 Ų | 150 | 91.9 Ų | 91.9 | 65% | 0.652 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -62.8 | -42.2 | 175.3 | -175.9 | -178.4 | 178.5 | -175.6 | 0 | 112.5 | E108 F109 V110 G115 | E108-K112 WeakPolarHBondContact O-CB 3.13Å; E108-K112 PolarHBondContact O-N 2.81Å; F109-K112 WeakPolarHBondContact O-CB 3.44Å; F109-K112 PolarHBondContact O-N 2.92Å; V110-K112 VanDerWaalsContact C-N 3.33Å; V110-K112 PolarHBondContact O-N 3.45Å; K112-G115 PolarHBondContact O-N 3.19Å |
| 113 | V | 73 | Confident | 72 | Confident | 22 Ų | 22 | 89.4 Ų | 89.4 | 13% | 0.133 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -70.6 | -42.2 | -178.4 | 168.9 | 0 | 0 | 0 | 0 | 111.6 | F97 F109 V110 G115 P135 | F97-V113 HydrophobicContact CB-CG1 4.13Å; F97-V113 HydrophobicContact CD1-CG1 4.05Å; F97-V113 HydrophobicContact CD2-CG1 3.74Å; F97-V113 HydrophobicContact CE1-CG1 4.41Å; F97-V113 HydrophobicContact CE2-CG1 4.13Å; F97-V113 HydrophobicContact CG-CG1 3.7Å; F97-V113 HydrophobicContact CZ-CG1 4.46Å; F109-V113 HydrophobicContact CD1-CG2 3.98Å; F109-V113 HydrophobicContact CD2-CG2 4.46Å; F109-V113 HydrophobicContact CE1-CG2 3.59Å; F109-V113 HydrophobicContact CE2-CG2 4.1Å; F109-V113 HydrophobicContact CG-CG2 4.4Å; F109-V113 HydrophobicContact CZ-CG2 3.65Å; F109-V113 WeakPolarHBondContact O-CB 3.3Å; F109-V113 VanDerWaalsContact O-CG2 3.3Å; F109-V113 WeakPolarHBondContact O-CG2 3.42Å; F109-V113 PolarHBondContact O-N 3.32Å; V110-V113 PolarHBondContact O-N 3.47Å; V113-G115 PolarHBondContact O-N 3.31Å; V113-G115 VanDerWaalsContact O-N 3.1Å; V113-P135 WeakPolarHBondContact O-CB 3.35Å; V113-P135 WeakPolarHBondContact O-CG 3.46Å |
| 114 | I | 71.9 | Confident | 71.6 | Confident | 74 Ų | 74 | 92.5 Ų | 92.5 | 38% | 0.379 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -3.5 | 177.8 | -48.9 | 165 | 0 | 0 | 0 | 110.6 | V110 I116 | V110-I114 HydrophobicContact CG1-CD1 3.54Å; V110-I114 HydrophobicContact CG1-CG1 4.28Å; V110-I114 VanDerWaalsContact O-CG1 3.26Å; V110-I114 WeakPolarHBondContact O-CG1 3.47Å; V110-I114 PolarHBondContact O-N 2.98Å; I114-I116 HydrophobicContact CB-CD1 3.67Å; I114-I116 HydrophobicContact CB-CG1 3.71Å; I114-I116 HydrophobicContact CD1-CD1 4.46Å; I114-I116 HydrophobicContact CG2-CD1 3.2Å; I114-I116 HydrophobicContact CG2-CG1 3.51Å; I114-I116 WeakPolarHBondContact O-CG1 3.37Å; I114-I116 PolarHBondContact O-N 3.37Å |
| 115 | G | 66.1 | Low | 71 | Confident | 20 Ų | 20 | 86.7 Ų | 86.7 | 21% | 0.206 | 45% | 0.445 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | 7.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L111 K112 V113 T117 P133 | L111-G115 PolarHBondContact O-N 3.1Å; K112-G115 PolarHBondContact O-N 3.19Å; V113-G115 PolarHBondContact O-N 3.31Å; V113-G115 VanDerWaalsContact O-N 3.1Å; G115-T117 PolarHBondContact O-N 3.4Å; G115-P133 WeakPolarHBondContact O-CG 3.36Å |
| 116 | I | 63.9 | Low | 70.4 | Confident | 10 Ų | 10 | 88.3 Ų | 88.3 | 5% | 0.051 | 45% | 0.452 | C | S | . | . | trans | -96.5 | 96.7 | -172.6 | -38.8 | 172 | 0 | 0 | 0 | 108.2 | L111 I114 S118 D121 V122 | L111-I116 CarbonylContact C-O 3.53Å; L111-I116 CarbonylContact O-C 3.55Å; L111-I116 PolarHBondContact O-N 3.29Å; L111-I116 VanDerWaalsContact O-O 3.06Å; I114-I116 HydrophobicContact CB-CD1 3.67Å; I114-I116 HydrophobicContact CB-CG1 3.71Å; I114-I116 HydrophobicContact CD1-CD1 4.46Å; I114-I116 HydrophobicContact CG2-CD1 3.2Å; I114-I116 HydrophobicContact CG2-CG1 3.51Å; I114-I116 WeakPolarHBondContact O-CG1 3.37Å; I114-I116 PolarHBondContact O-N 3.37Å; I116-S118 VanDerWaalsContact C-N 3.34Å; I116-D121 HydrophobicContact CG2-CB 3.24Å; I116-V122 HydrophobicContact CB-CG2 3.74Å; I116-V122 HydrophobicContact CD1-CB 4.15Å; I116-V122 HydrophobicContact CD1-CG1 4.13Å; I116-V122 HydrophobicContact CD1-CG2 3.75Å; I116-V122 HydrophobicContact CG1-CG2 4.33Å; I116-V122 HydrophobicContact CG2-CB 3.97Å; I116-V122 HydrophobicContact CG2-CG2 3.32Å | ||
| 117 | T | 59.6 | Low | 69.9 | Low | 128 Ų | 128 | 91.6 Ų | 91.6 | 79% | 0.785 | 46% | 0.462 | S | S | * | . | trans | -76.7 | -23.8 | -171.1 | -54.7 | 0 | 0 | 0 | 0 | 111.9 | G115 | G115-T117 PolarHBondContact O-N 3.4Š| ||
| 118 | S | 61.4 | Low | 69.5 | Low | 50 Ų | 50 | 85.4 Ų | 85.4 | 35% | 0.35 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -127.7 | 148.5 | 179.4 | -178.3 | 0 | 0 | 0 | 0 | 112.3 | I116 Q120 D121 V122 | I116-S118 VanDerWaalsContact C-N 3.34Å; S118-Q120 PolarHBondContact O-N 3.01Å; S118-Q120 VanDerWaalsContact O-N 3.12Å; S118-Q120 PolarHBondContact OG-N 3.3Å; S118-D121 PolarHBondContact N-OD2 2.95Å; S118-D121 WeakPolarHBondContact O-CB 3.44Å; S118-D121 PolarHBondContact O-N 3.32Å; S118-V122 PolarHBondContact O-N 3.41Å; S118-V122 VanDerWaalsContact O-N 3.17Å |
| 119 | Q | 65 | Low | 69.2 | Low | 159 Ų | 159 | 86.1 Ų | 86.1 | 74% | 0.743 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -56.5 | -28.2 | 172.6 | -68.9 | -146.6 | -40.1 | 0 | 0 | 112.7 | V122 L123 | Q119-V122 PolarHBondContact O-N 3.12Å; Q119-L123 WeakPolarHBondContact O-CB 3.26Å; Q119-L123 PolarHBondContact O-N 3.07Å |
| 120 | Q | 66.5 | Low | 68.8 | Low | 151 Ų | 151 | 90.1 Ų | 90.1 | 71% | 0.706 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -67.8 | -36.5 | 174.8 | -64.6 | -176.9 | -6.4 | 0 | 0 | 112.1 | S118 V122 L123 K124 | S118-Q120 PolarHBondContact O-N 3.01Å; S118-Q120 VanDerWaalsContact O-N 3.12Å; S118-Q120 PolarHBondContact OG-N 3.3Å; Q120-V122 VanDerWaalsContact C-N 3.28Å; Q120-L123 WeakPolarHBondContact O-CB 3.47Å; Q120-L123 PolarHBondContact O-N 3.26Å; Q120-K124 VanDerWaalsContact O-CB 3.31Å; Q120-K124 WeakPolarHBondContact O-CB 3.33Å; Q120-K124 PolarHBondContact O-N 2.77Å |
| 121 | D | 65.4 | Low | 68.1 | Low | 74 Ų | 74 | 93 Ų | 93 | 40% | 0.396 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -70.4 | -30.2 | 175.4 | -58.2 | -32 | 0 | 0 | 0 | 110.2 | I116 S118 K124 A125 | I116-D121 HydrophobicContact CG2-CB 3.24Å; S118-D121 PolarHBondContact N-OD2 2.95Å; S118-D121 WeakPolarHBondContact O-CB 3.44Å; S118-D121 PolarHBondContact O-N 3.32Å; D121-K124 PolarHBondContact O-N 3.2Å; D121-A125 VanDerWaalsContact O-CB 3.3Å; D121-A125 WeakPolarHBondContact O-CB 3.32Å; D121-A125 PolarHBondContact O-N 3.1Å |
| 122 | V | 64.7 | Low | 67.3 | Low | 31 Ų | 31 | 93.5 Ų | 93.5 | 19% | 0.188 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -68.9 | -47 | 176.7 | -177.4 | 0 | 0 | 0 | 0 | 108.8 | L111 I116 S118 Q119 Q120 K124 A125 M126 | L111-V122 HydrophobicContact CD2-CG2 3.61Å; I116-V122 HydrophobicContact CB-CG2 3.74Å; I116-V122 HydrophobicContact CD1-CB 4.15Å; I116-V122 HydrophobicContact CD1-CG1 4.13Å; I116-V122 HydrophobicContact CD1-CG2 3.75Å; I116-V122 HydrophobicContact CG1-CG2 4.33Å; I116-V122 HydrophobicContact CG2-CB 3.97Å; I116-V122 HydrophobicContact CG2-CG2 3.32Å; S118-V122 PolarHBondContact O-N 3.41Å; S118-V122 VanDerWaalsContact O-N 3.17Å; Q119-V122 PolarHBondContact O-N 3.12Å; Q120-V122 VanDerWaalsContact C-N 3.28Å; V122-K124 VanDerWaalsContact C-N 3.3Å; V122-K124 PolarHBondContact O-N 3.25Å; V122-A125 PolarHBondContact O-N 3.23Å; V122-M126 HydrophobicContact CG1-CE 4.07Å; V122-M126 HydrophobicContact CG1-CG 4.47Å; V122-M126 WeakPolarHBondContact O-CB 3.2Å; V122-M126 WeakPolarHBondContact O-CG 3.36Å; V122-M126 PolarHBondContact O-N 2.94Å |
| 123 | L | 68.7 | Low | 66.8 | Low | 107 Ų | 107 | 90 Ų | 90 | 56% | 0.56 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -57.6 | -48.2 | 174.6 | -151 | 72.9 | 0 | 0 | 0 | 109.8 | Q119 Q120 A125 M126 F127 | Q119-L123 WeakPolarHBondContact O-CB 3.26Å; Q119-L123 PolarHBondContact O-N 3.07Å; Q120-L123 WeakPolarHBondContact O-CB 3.47Å; Q120-L123 PolarHBondContact O-N 3.26Å; L123-A125 PolarHBondContact O-N 3.48Å; L123-M126 PolarHBondContact O-N 3.41Å; L123-F127 HydrophobicContact CD1-CD2 4.17Å; L123-F127 HydrophobicContact CD1-CE2 3.53Å; L123-F127 HydrophobicContact CG-CD2 3.79Å; L123-F127 HydrophobicContact CG-CE2 3.64Å; L123-F127 WeakPolarHBondContact O-CD2 3.46Å; L123-F127 PolarHBondContact O-N 3.42Å |
| 124 | K | 69.4 | Low | 66.3 | Low | 107 Ų | 107 | 93.6 Ų | 93.6 | 47% | 0.465 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.3 | -47.7 | 178.3 | -167.6 | -177.1 | 175.2 | -148.8 | 0 | 111.2 | Q120 D121 V122 M126 F127 T128 E130 | Q120-K124 VanDerWaalsContact O-CB 3.31Å; Q120-K124 WeakPolarHBondContact O-CB 3.33Å; Q120-K124 PolarHBondContact O-N 2.77Å; D121-K124 PolarHBondContact O-N 3.2Å; V122-K124 VanDerWaalsContact C-N 3.3Å; V122-K124 PolarHBondContact O-N 3.25Å; K124-M126 VanDerWaalsContact C-N 3.32Å; K124-M126 PolarHBondContact O-N 2.83Å; K124-F127 PolarHBondContact O-N 2.89Å; K124-T128 WeakPolarHBondContact CG-OG1 3.21Å; K124-T128 WeakPolarHBondContact O-CA 3.3Å; K124-T128 WeakPolarHBondContact O-CB 3.48Å; K124-T128 PolarHBondContact O-N 3.44Å; K124-T128 PolarHBondContact O-OG1 2.9Å; K124-E130 WeakPolarHBondContact CE-OE2 3.45Å; K124-E130 IonicContact NZ-OE2 3.83Å; K124-E130 PolarHBondContact NZ-OE2 2.92Å |
| 125 | A | 68.5 | Low | 65.6 | Low | 34 Ų | 34 | 92.4 Ų | 92.4 | 28% | 0.281 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.9 | -27.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | D121 V122 L123 | D121-A125 VanDerWaalsContact O-CB 3.3Å; D121-A125 WeakPolarHBondContact O-CB 3.32Å; D121-A125 PolarHBondContact O-N 3.1Å; V122-A125 PolarHBondContact O-N 3.23Å; L123-A125 PolarHBondContact O-N 3.48Å |
| 126 | M | 69.9 | Low | 65.4 | Low | 155 Ų | 155 | 100.6 Ų | 100.6 | 76% | 0.764 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -79.3 | -29.1 | 174.6 | -73.4 | -146.2 | -166.9 | 0 | 0 | 113.3 | V122 L123 K124 | V122-M126 HydrophobicContact CG1-CE 4.07Å; V122-M126 HydrophobicContact CG1-CG 4.47Å; V122-M126 WeakPolarHBondContact O-CB 3.2Å; V122-M126 WeakPolarHBondContact O-CG 3.36Å; V122-M126 PolarHBondContact O-N 2.94Å; L123-M126 PolarHBondContact O-N 3.41Å; K124-M126 VanDerWaalsContact C-N 3.32Å; K124-M126 PolarHBondContact O-N 2.83Å |
| 127 | F | 73 | Confident | 65.1 | Low | 166 Ų | 166 | 104.7 Ų | 104.7 | 73% | 0.728 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -102.5 | -9 | -179.5 | -66.3 | -64.4 | 0 | 0 | 0 | 114.3 | L123 K124 | L123-F127 HydrophobicContact CD1-CD2 4.17Å; L123-F127 HydrophobicContact CD1-CE2 3.53Å; L123-F127 HydrophobicContact CG-CD2 3.79Å; L123-F127 HydrophobicContact CG-CE2 3.64Å; L123-F127 WeakPolarHBondContact O-CD2 3.46Å; L123-F127 PolarHBondContact O-N 3.42Å; K124-F127 PolarHBondContact O-N 2.89Å |
| 128 | T | 70.5 | Confident | 64.9 | Low | 51 Ų | 51 | 103 Ų | 103 | 31% | 0.313 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -117.9 | 128.7 | -179.9 | -43.9 | 0 | 0 | 0 | 0 | 107.8 | K124 E130 | K124-T128 WeakPolarHBondContact CG-OG1 3.21Å; K124-T128 WeakPolarHBondContact O-CA 3.3Å; K124-T128 WeakPolarHBondContact O-CB 3.48Å; K124-T128 PolarHBondContact O-N 3.44Å; K124-T128 PolarHBondContact O-OG1 2.9Å; T128-E130 HydrophobicContact CG2-CB 3.88Å; T128-E130 HydrophobicContact CG2-CG 3.72Å; T128-E130 PolarHBondContact O-N 2.88Å |
| 129 | D | 70.3 | Confident | 64.8 | Low | 178 Ų | 178 | 111.1 Ų | 111.1 | 95% | 0.952 | 56% | 0.556 | S | S | * | * | trans | -68.1 | 16.6 | 173.2 | -63.2 | -40.3 | 0 | 0 | 0 | 113.1 | E131 | D129-E131 PolarHBondContact O-N 3.23Š| ||
| 130 | E | 69.3 | Low | 64.3 | Low | 114 Ų | 114 | 110.5 Ų | 110.5 | 53% | 0.533 | 55% | 0.547 | S | S | . | . | S | Bend | trans | -71.2 | 125.8 | 171.3 | -83.3 | -172.2 | 161.8 | 0 | 0 | 108.9 | K124 T128 | K124-E130 WeakPolarHBondContact CE-OE2 3.45Å; K124-E130 IonicContact NZ-OE2 3.83Å; K124-E130 PolarHBondContact NZ-OE2 2.92Å; T128-E130 HydrophobicContact CG2-CB 3.88Å; T128-E130 HydrophobicContact CG2-CG 3.72Å; T128-E130 PolarHBondContact O-N 2.88Å |
| 131 | E | 64.9 | Low | 63.9 | Low | 121 Ų | 121 | 109 Ų | 109 | 57% | 0.565 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -56.3 | 125 | 176.3 | -169.9 | 172 | -170 | 0 | 0 | 109 | K95 D129 | K95-E131 WeakPolarHBondContact CE-OE1 3.43Å; K95-E131 IonicContact NZ-OE1 3.62Å; K95-E131 PolarHBondContact NZ-OE1 3.15Å; D129-E131 PolarHBondContact O-N 3.23Å |
| 132 | P | 58.6 | Low | 63.4 | Low | 61 Ų | 61 | 116.4 Ų | 116.4 | 40% | 0.396 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -56.5 | 146 | -180 | 20.9 | -31.1 | 0 | 0 | 0 | 109.8 | Q134 | P132-Q134 PolarHBondContact O-N 2.93Š|
| 133 | P | 61.7 | Low | 63 | Low | 78 Ų | 78 | 119.9 Ų | 119.9 | 51% | 0.506 | 59% | 0.592 | S | S | . | * | P | Polyproline II helix | trans | -52.8 | 134.6 | 178.6 | 21.5 | -31.6 | 0 | 0 | 0 | 109.5 | G115 | G115-P133 WeakPolarHBondContact O-CG 3.36Š|
| 134 | Q | 62 | Low | 62.4 | Low | 97 Ų | 97 | 119.3 Ų | 119.3 | 45% | 0.453 | 60% | 0.597 | S | S | . | * | P | Polyproline II helix | trans | -55 | 130.3 | -178.4 | -67.8 | -68.1 | 2.4 | 0 | 0 | 109.3 | P132 K136 | P132-Q134 PolarHBondContact O-N 2.93Å; Q134-K136 PolarHBondContact O-N 2.91Å |
| 135 | P | 59.2 | Low | 61.7 | Low | 48 Ų | 48 | 117.7 Ų | 117.7 | 31% | 0.312 | 60% | 0.604 | S | S | . | * | P | Polyproline II helix | trans | -49.2 | 132.9 | 173.3 | -28 | 34.7 | 0 | 0 | 0 | 109.8 | V113 A137 | V113-P135 WeakPolarHBondContact O-CB 3.35Å; V113-P135 WeakPolarHBondContact O-CG 3.46Å; P135-A137 PolarHBondContact O-N 2.97Å |
| 136 | K | 60.8 | Low | 61 | Low | 192 Ų | 192 | 122.3 Ų | 122.3 | 84% | 0.835 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 128.2 | 169.2 | -69.4 | 177.4 | -178.2 | 172.4 | 0 | 106.8 | Q134 Y138 | Q134-K136 PolarHBondContact O-N 2.91Å; K136-Y138 PolarHBondContact O-N 2.87Å |
| 137 | A | 57.3 | Low | 60.3 | Low | 96 Ų | 96 | 125.2 Ų | 125.2 | 79% | 0.793 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -47.9 | 122.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | P135 R139 | P135-A137 PolarHBondContact O-N 2.97Å; A137-R139 VanDerWaalsContact C-N 3.28Å; A137-R139 PolarHBondContact O-N 2.83Å |
| 138 | Y | 56.4 | Low | 59.4 | Low | 94 Ų | 94 | 122 Ų | 122 | 37% | 0.369 | 62% | 0.624 | S | S | . | * | trans | -63.3 | 95.5 | 177.8 | -176.7 | -92.5 | 0 | 0 | 0 | 107.6 | D103 F109 K136 R140 | D103-Y138 VanDerWaalsContact CG-OH 3.23Å; D103-Y138 PolarHBondContact OD1-OH 3.1Å; D103-Y138 PolarHBondContact OD2-OH 3.22Å; F109-Y138 HydrophobicContact CE2-CD2 4.45Å; F109-Y138 AromaticContact CE2-CE2 3.98Å; F109-Y138 HydrophobicContact CE2-CE2 3.98Å; F109-Y138 HydrophobicContact CZ-CE2 4.36Å; K136-Y138 PolarHBondContact O-N 2.87Å; Y138-R140 HydrophobicContact CD1-CG 4.23Å; Y138-R140 HydrophobicContact CE1-CG 3.86Å; Y138-R140 PolarHBondContact O-N 3.49Å | ||
| 139 | R | 59.4 | Low | 58.7 | Low | 219 Ų | 219 | 128 Ų | 128 | 83% | 0.826 | 65% | 0.646 | S | S | * | * | trans | -81 | 102.2 | 175.7 | -165.9 | 179.3 | -170.7 | 170.1 | 2.2 | 104.8 | A137 D141 | A137-R139 VanDerWaalsContact C-N 3.28Å; A137-R139 PolarHBondContact O-N 2.83Å; R139-D141 PolarHBondContact O-N 3.45Å | ||
| 140 | R | 54 | Low | 57.8 | Low | 147 Ų | 147 | 127.1 Ų | 127.1 | 56% | 0.555 | 64% | 0.638 | S | S | * | * | trans | -46.9 | 111.7 | 169.4 | -84 | -175 | 169.3 | 174.7 | -2.4 | 108 | D100 Y138 R142 | D100-R140 IonicContact OD2-CZ 3.28Å; D100-R140 IonicContact OD2-NE 2.77Å; D100-R140 IonicContact OD2-NH2 3.49Å; D100-R140 PolarHBondContact OD2-NH2 2.76Å; Y138-R140 HydrophobicContact CD1-CG 4.23Å; Y138-R140 HydrophobicContact CE1-CG 3.86Å; Y138-R140 PolarHBondContact O-N 3.49Å; R140-R142 PolarHBondContact O-N 3.47Å | ||
| 141 | D | 58.1 | Low | 57.1 | Low | 120 Ų | 120 | 128.2 Ų | 128.2 | 64% | 0.642 | 65% | 0.648 | S | S | * | * | trans | -63.6 | 108.4 | 168.8 | -71.2 | -36.9 | 0 | 0 | 0 | 105.5 | R139 S143 S144 | R139-D141 PolarHBondContact O-N 3.45Å; D141-S143 PolarHBondContact O-N 3.42Å; D141-S144 PolarHBondContact O-N 3.27Å | ||
| 142 | R | 55.2 | Low | 56.5 | Low | 229 Ų | 229 | 129.5 Ų | 129.5 | 86% | 0.864 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -59.3 | -4.5 | 178.9 | -73 | -174.5 | -178.7 | -173.4 | -0 | 112.9 | R140 S144 A145 | R140-R142 PolarHBondContact O-N 3.47Å; R142-S144 PolarHBondContact O-N 3.46Å; R142-A145 PolarHBondContact O-N 3.21Å |
| 143 | S | 56.6 | Low | 56.4 | Low | 103 Ų | 103 | 134.1 Ų | 134.1 | 72% | 0.72 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -58.1 | -24.4 | 176.1 | -171.7 | 0 | 0 | 0 | 0 | 113.8 | D141 A145 | D141-S143 PolarHBondContact O-N 3.42Å; S143-A145 VanDerWaalsContact C-N 3.31Å; S143-A145 PolarHBondContact O-N 2.85Å |
| 144 | S | 55.2 | Low | 55.9 | Low | 95 Ų | 95 | 137.8 Ų | 137.8 | 66% | 0.664 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -78.8 | -13.1 | -178.6 | -51.3 | 0 | 0 | 0 | 0 | 114 | D141 R142 D146 R147 | D141-S144 PolarHBondContact O-N 3.27Å; R142-S144 PolarHBondContact O-N 3.46Å; S144-D146 PolarHBondContact O-N 3.44Å; S144-R147 PolarHBondContact O-N 3.22Å |
| 145 | A | 55 | Low | 55.7 | Low | 74 Ų | 74 | 138.7 Ų | 138.7 | 61% | 0.612 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -66.2 | -19.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R142 S143 R147 | R142-A145 PolarHBondContact O-N 3.21Å; S143-A145 VanDerWaalsContact C-N 3.31Å; S143-A145 PolarHBondContact O-N 2.85Å; A145-R147 VanDerWaalsContact C-N 3.31Å; A145-R147 PolarHBondContact O-N 3.24Å |
| 146 | D | 54.6 | Low | 55.6 | Low | 131 Ų | 131 | 145.1 Ų | 145.1 | 70% | 0.701 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -78.3 | -14.3 | -177 | -136.4 | 7.7 | 0 | 0 | 0 | 113.3 | S144 S148 | S144-D146 PolarHBondContact O-N 3.44Å; D146-S148 VanDerWaalsContact C-N 3.31Å; D146-S148 PolarHBondContact O-N 3.41Å |
| 147 | R | 54.5 | Low | 55.2 | Low | 215 Ų | 215 | 141.3 Ų | 141.3 | 81% | 0.811 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -75.5 | -15.7 | 176.5 | -77.8 | -170.3 | 178.2 | -168 | 1.1 | 114 | S144 A145 K149 M150 | S144-R147 PolarHBondContact O-N 3.22Å; A145-R147 VanDerWaalsContact C-N 3.31Å; A145-R147 PolarHBondContact O-N 3.24Å; R147-K149 PolarHBondContact O-N 3.43Å; R147-M150 PolarHBondContact O-N 3.43Å |
| 148 | S | 54.1 | Low | 54.9 | Low | 98 Ų | 98 | 143.4 Ų | 143.4 | 69% | 0.685 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -73.8 | -7.5 | -178.9 | 86 | 0 | 0 | 0 | 0 | 113.9 | D146 | D146-S148 VanDerWaalsContact C-N 3.31Å; D146-S148 PolarHBondContact O-N 3.41Å |
| 149 | K | 55.6 | Low | 55.1 | Low | 177 Ų | 177 | 142.7 Ų | 142.7 | 77% | 0.77 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -91.5 | -9.5 | 176.6 | -76.6 | -170.6 | 177.8 | -179.2 | 0 | 114.9 | R147 | R147-K149 PolarHBondContact O-N 3.43Š|
| 150 | M | 52.2 | Low | 54.7 | Low | 160 Ų | 160 | 138.5 Ų | 138.5 | 79% | 0.788 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -93.5 | -9.1 | -173.8 | -148.8 | 80.8 | 109.6 | 0 | 0 | 114.7 | R147 | R147-M150 PolarHBondContact O-N 3.43Š|
| 151 | N | 52.8 | Low | 54.8 | Low | 138 Ų | 138 | 138 Ų | 138 | 74% | 0.738 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -103.4 | 9.8 | -171.3 | -86.4 | 8.6 | 0 | 0 | 0 | 115.6 | D153 | N151-D153 VanDerWaalsContact C-N 3.31Š|
| 152 | N | 54.2 | Low | 54.5 | Low | 148 Ų | 148 | 141.4 Ų | 141.4 | 79% | 0.791 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -85.2 | -1 | 175.6 | -76.9 | -7.4 | 0 | 0 | 0 | 114 | M154 | N152-M154 PolarHBondContact O-N 3.49Š|
| 153 | D | 55.1 | Low | 54.6 | Low | 157 Ų | 157 | 136.5 Ų | 136.5 | 84% | 0.84 | 74% | 0.735 | S | S | * | * | trans | -100.9 | 59.7 | 174.6 | -67 | -28.6 | 0 | 0 | 0 | 110.8 | N151 P155 | N151-D153 VanDerWaalsContact C-N 3.31Å; D153-P155 WeakPolarHBondContact O-CD 3.45Å | ||
| 154 | M | 51.8 | Low | 54.3 | Low | 156 Ų | 156 | 141.1 Ų | 141.1 | 77% | 0.768 | 74% | 0.743 | S | S | * | * | trans | -98.4 | 107 | 167.1 | -166.3 | 92.2 | 163.7 | 0 | 0 | 107.9 | N152 H156 | N152-M154 PolarHBondContact O-N 3.49Å; M154-H156 PolarHBondContact O-N 2.93Å | ||
| 155 | P | 57.1 | Low | 54.1 | Low | 115 Ų | 115 | 145.8 Ų | 145.8 | 75% | 0.747 | 75% | 0.754 | S | S | * | * | trans | -64.1 | 120.7 | 177.3 | 24.2 | -30.8 | 0 | 0 | 0 | 109.7 | D153 D157 | D153-P155 WeakPolarHBondContact O-CD 3.45Å; P155-D157 VanDerWaalsContact C-N 3.33Å; P155-D157 PolarHBondContact O-N 3.19Å | ||
| 156 | H | 57.8 | Low | 53.9 | Low | 184 Ų | 184 | 151.2 Ų | 151.2 | 85% | 0.852 | 77% | 0.767 | S | S | * | * | trans | -66.6 | 88.5 | 171.5 | -68 | -84.8 | 0 | 0 | 0 | 109.6 | M154 | M154-H156 PolarHBondContact O-N 2.93Š| ||
| 157 | D | 52.2 | Low | 53.6 | Low | 112 Ų | 112 | 154.5 Ų | 154.5 | 60% | 0.599 | 80% | 0.8 | S | S | * | * | trans | -121.3 | 75.5 | 163 | -162.1 | 3.7 | 0 | 0 | 0 | 109.5 | P155 S159 | P155-D157 VanDerWaalsContact C-N 3.33Å; P155-D157 PolarHBondContact O-N 3.19Å; D157-S159 VanDerWaalsContact C-N 3.26Å; D157-S159 WeakPolarHBondContact OD1-CB 3.42Å; D157-S159 PolarHBondContact OD1-OG 3.43Å | ||
| 158 | L | 52 | Low | 53.6 | Low | 139 Ų | 139 | 151.5 Ų | 151.5 | 73% | 0.728 | 80% | 0.799 | S | S | * | * | trans | -93.8 | 27.7 | 173.6 | -65.8 | 176.5 | 0 | 0 | 0 | 111.4 | N160 | L158-N160 VanDerWaalsContact C-N 3.32Å; L158-N160 PolarHBondContact O-N 3.3Å | ||
| 159 | S | 59.4 | Low | 53.5 | Low | 80 Ų | 80 | 154.3 Ų | 154.3 | 56% | 0.559 | 81% | 0.805 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -5.3 | -175.6 | 63.7 | 0 | 0 | 0 | 0 | 114.8 | D157 | D157-S159 VanDerWaalsContact C-N 3.26Å; D157-S159 WeakPolarHBondContact OD1-CB 3.42Å; D157-S159 PolarHBondContact OD1-OG 3.43Å |
| 160 | N | 51.6 | Low | 53.4 | Low | 130 Ų | 130 | 153 Ų | 153 | 70% | 0.695 | 81% | 0.807 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.7 | 11.9 | -170.2 | -65.6 | -48 | 0 | 0 | 0 | 116 | L158 | L158-N160 VanDerWaalsContact C-N 3.32Å; L158-N160 PolarHBondContact O-N 3.3Å |
| 161 | I | 55.5 | Low | 53.5 | Low | 136 Ų | 136 | 152.6 Ų | 152.6 | 70% | 0.697 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -100.1 | -13.3 | -177.4 | -54.3 | -178.7 | 0 | 0 | 0 | 113.4 | T163 | I161-T163 PolarHBondContact O-N 2.61Š|
| 162 | E | 52.7 | Low | 53.5 | Low | 193 Ų | 193 | 153.5 Ų | 153.5 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | 5.4 | -174.6 | -71.3 | -168.4 | 156.3 | 0 | 0 | 116.2 | ||
| 163 | T | 56.4 | Low | 53.5 | Low | 126 Ų | 126 | 153.9 Ų | 153.9 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | 1.4 | -173.8 | -41.5 | 0 | 0 | 0 | 0 | 115.6 | I161 | I161-T163 PolarHBondContact O-N 2.61Š|
| 164 | F | 51 | Low | 53.4 | Low | 200 Ų | 200 | 153.6 Ų | 153.6 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -101 | 5.1 | -171.4 | -122.8 | -88.9 | 0 | 0 | 0 | 117.5 | ||
| 165 | E | 51.5 | Low | 53.5 | Low | 193 Ų | 193 | 153.5 Ų | 153.5 | 90% | 0.902 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -111.4 | 20.3 | -176.9 | -76.2 | -129.2 | 142.2 | 0 | 0 | 116 | ||
| 166 | Q | 50.7 | Low | 53.2 | Low | 187 Ų | 187 | 156.7 Ų | 156.7 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | trans | -132.4 | 73 | 172 | -69.9 | -171.1 | -9.4 | 0 | 0 | 112.8 | ||||
| 167 | S | 47.4 | Very low | 52.8 | Low | 200 Ų | 200 | 154.2 Ų | 154.2 | 100% | 1.399 | 82% | 0.819 | S | S | * | * | trans | -166.1 | 0 | 151.3 | -80.3 | 0 | 0 | 0 | 0 | 111.5 |
Retrieved 167 of 167 residues in 33.2 ms
(Link to these results)