| 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 | 72.4 | Confident | 83.6 | Confident | 214 Ų | 214 | 133.5 Ų | 133.5 | 100% | 1.054 | 64% | 0.639 | S | S | * | * | 0 | -50.1 | 0 | -128.7 | 167.4 | 75 | 0 | 0 | 112.4 | I3 R4 F5 | M1-I3 PolarHBondContact O-N 3.46Å; M1-R4 PolarHBondContact O-N 3.14Å; M1-F5 PolarHBondContact O-N 3.14Å | |||
| 2 | I | 82.7 | Confident | 83.2 | Confident | 132 Ų | 132 | 130.5 Ų | 130.5 | 68% | 0.677 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -55.3 | -43.6 | -177.5 | -61.7 | 168.5 | 0 | 0 | 0 | 113.6 | R4 F5 L6 | I2-R4 VanDerWaalsContact C-N 3.34Å; I2-R4 PolarHBondContact O-N 2.85Å; I2-F5 WeakPolarHBondContact O-CB 3.43Å; I2-F5 PolarHBondContact O-N 3.39Å; I2-F5 VanDerWaalsContact O-N 3.14Å; I2-L6 HydrophobicContact CG2-CD1 4.06Å; I2-L6 HydrophobicContact CG2-CG 4.42Å; I2-L6 PolarHBondContact O-N 3.47Å |
| 3 | I | 85.1 | Confident | 82.4 | Confident | 137 Ų | 137 | 124.9 Ų | 124.9 | 70% | 0.703 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -61.3 | -40.3 | -178.3 | -61.7 | 172 | 0 | 0 | 0 | 112 | M1 F5 L6 L7 | M1-I3 PolarHBondContact O-N 3.46Å; I3-F5 VanDerWaalsContact C-N 3.33Å; I3-F5 PolarHBondContact O-N 3.35Å; I3-L6 PolarHBondContact O-N 2.88Å; I3-L7 PolarHBondContact O-N 2.86Å; I3-L7 VanDerWaalsContact O-N 3.07Å |
| 4 | R | 83.7 | Confident | 81.4 | Confident | 217 Ų | 217 | 122.1 Ų | 122.1 | 82% | 0.819 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -66.7 | -36.4 | 177.6 | -73.5 | -173.7 | 175 | 177.6 | -2.1 | 111.8 | M1 I2 Y8 | M1-R4 PolarHBondContact O-N 3.14Å; I2-R4 VanDerWaalsContact C-N 3.34Å; I2-R4 PolarHBondContact O-N 2.85Å; R4-Y8 WeakPolarHBondContact O-CB 3.09Å; R4-Y8 PolarHBondContact O-N 3.49Å; R4-Y8 VanDerWaalsContact O-N 3.08Å |
| 5 | F | 86.4 | Confident | 80.1 | Confident | 144 Ų | 144 | 124.1 Ų | 124.1 | 63% | 0.632 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66.3 | -46.4 | 177 | -173.2 | -97.4 | 0 | 0 | 0 | 111.4 | M1 I2 I3 L7 Y8 C9 | M1-F5 PolarHBondContact O-N 3.14Å; I2-F5 WeakPolarHBondContact O-CB 3.43Å; I2-F5 PolarHBondContact O-N 3.39Å; I2-F5 VanDerWaalsContact O-N 3.14Å; I3-F5 VanDerWaalsContact C-N 3.33Å; I3-F5 PolarHBondContact O-N 3.35Å; F5-L7 PolarHBondContact O-N 3.02Å; F5-Y8 PolarHBondContact O-N 3.24Å; F5-C9 PolarHBondContact O-N 2.93Å; F5-C9 PolarHBondContact O-SG 3.22Å; F5-C9 VanDerWaalsContact O-SG 3.34Å |
| 6 | L | 87.3 | Confident | 78.6 | Confident | 110 Ų | 110 | 123.1 Ų | 123.1 | 58% | 0.576 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -61 | -42.6 | 176.7 | -70 | 172.2 | 0 | 0 | 0 | 112.4 | I2 I3 Y8 C9 L10 | I2-L6 HydrophobicContact CG2-CD1 4.06Å; I2-L6 HydrophobicContact CG2-CG 4.42Å; I2-L6 PolarHBondContact O-N 3.47Å; I3-L6 PolarHBondContact O-N 2.88Å; L6-Y8 VanDerWaalsContact C-N 3.31Å; L6-Y8 PolarHBondContact O-N 3.33Å; L6-C9 PolarHBondContact O-N 3.32Å; L6-L10 WeakPolarHBondContact O-CB 3.45Å; L6-L10 PolarHBondContact O-N 3.44Å |
| 7 | L | 86.7 | Confident | 77 | Confident | 105 Ų | 105 | 124.2 Ų | 124.2 | 55% | 0.55 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -63.9 | -38.9 | 177.7 | -150 | 99 | 0 | 0 | 0 | 111.7 | I3 F5 L10 L11 | I3-L7 PolarHBondContact O-N 2.86Å; I3-L7 VanDerWaalsContact O-N 3.07Å; F5-L7 PolarHBondContact O-N 3.02Å; L7-L10 PolarHBondContact O-N 2.8Å; L7-L11 HydrophobicContact CD2-CD1 4.21Å; L7-L11 WeakPolarHBondContact O-CB 3.19Å; L7-L11 WeakPolarHBondContact O-CG 3.45Å; L7-L11 PolarHBondContact O-N 2.94Å |
| 8 | Y | 86.4 | Confident | 75.2 | Confident | 157 Ų | 157 | 123.1 Ų | 123.1 | 62% | 0.616 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -66 | -44.1 | 175.7 | -167 | -91.4 | 0 | 0 | 0 | 111.5 | R4 F5 L6 L10 L11 L12 | R4-Y8 WeakPolarHBondContact O-CB 3.09Å; R4-Y8 PolarHBondContact O-N 3.49Å; R4-Y8 VanDerWaalsContact O-N 3.08Å; F5-Y8 PolarHBondContact O-N 3.24Å; L6-Y8 VanDerWaalsContact C-N 3.31Å; L6-Y8 PolarHBondContact O-N 3.33Å; Y8-L10 VanDerWaalsContact C-N 3.33Å; Y8-L10 PolarHBondContact O-N 3.34Å; Y8-L11 PolarHBondContact O-N 3.42Å; Y8-L12 HydrophobicContact CE1-CD1 4.46Å; Y8-L12 VanDerWaalsContact O-CB 3.24Å; Y8-L12 WeakPolarHBondContact O-CB 3.27Å; Y8-L12 PolarHBondContact O-N 3.36Å |
| 9 | C | 83.4 | Confident | 73.3 | Confident | 53 Ų | 53 | 122.9 Ų | 122.9 | 36% | 0.358 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -60.6 | -40.8 | 174.7 | -69 | 0 | 0 | 0 | 0 | 112.3 | F5 L6 L12 S13 | F5-C9 PolarHBondContact O-N 2.93Å; F5-C9 PolarHBondContact O-SG 3.22Å; F5-C9 VanDerWaalsContact O-SG 3.34Å; L6-C9 PolarHBondContact O-N 3.32Å; C9-L12 PolarHBondContact O-N 2.98Å; C9-S13 WeakPolarHBondContact O-CB 3.34Å; C9-S13 PolarHBondContact O-N 3.46Å; C9-S13 PolarHBondContact O-OG 2.84Å |
| 10 | L | 86.5 | Confident | 71.8 | Confident | 104 Ų | 104 | 121.5 Ų | 121.5 | 55% | 0.545 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.7 | -47.1 | 176.9 | -168.4 | 78.5 | 0 | 0 | 0 | 111.5 | L6 L7 Y8 L12 S13 I14 | L6-L10 WeakPolarHBondContact O-CB 3.45Å; L6-L10 PolarHBondContact O-N 3.44Å; L7-L10 PolarHBondContact O-N 2.8Å; Y8-L10 VanDerWaalsContact C-N 3.33Å; Y8-L10 PolarHBondContact O-N 3.34Å; L10-L12 VanDerWaalsContact C-N 3.31Å; L10-L12 PolarHBondContact O-N 3.08Å; L10-S13 WeakPolarHBondContact CA-OG 3.39Å; L10-S13 PolarHBondContact O-N 3.07Å; L10-S13 PolarHBondContact O-OG 3.43Å; L10-I14 HydrophobicContact CG-CD1 4.16Å; L10-I14 VanDerWaalsContact O-CG1 3.32Å; L10-I14 WeakPolarHBondContact O-CG1 3.24Å; L10-I14 PolarHBondContact O-N 3.46Å |
| 11 | L | 79.5 | Confident | 70.3 | Confident | 95 Ų | 95 | 120.4 Ų | 120.4 | 50% | 0.497 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -62.5 | -39.2 | 176.3 | -79.7 | 163.4 | 0 | 0 | 0 | 111.9 | L7 Y8 K15 | L7-L11 HydrophobicContact CD2-CD1 4.21Å; L7-L11 WeakPolarHBondContact O-CB 3.19Å; L7-L11 WeakPolarHBondContact O-CG 3.45Å; L7-L11 PolarHBondContact O-N 2.94Å; Y8-L11 PolarHBondContact O-N 3.42Å; L11-K15 WeakPolarHBondContact O-CB 3.19Å; L11-K15 PolarHBondContact O-N 3Å |
| 12 | L | 78.3 | Confident | 68.7 | Low | 98 Ų | 98 | 112.7 Ų | 112.7 | 51% | 0.513 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.3 | -43.2 | 176.9 | -164.6 | 78.4 | 0 | 0 | 0 | 110.9 | Y8 C9 L10 K15 L16 | Y8-L12 HydrophobicContact CE1-CD1 4.46Å; Y8-L12 VanDerWaalsContact O-CB 3.24Å; Y8-L12 WeakPolarHBondContact O-CB 3.27Å; Y8-L12 PolarHBondContact O-N 3.36Å; C9-L12 PolarHBondContact O-N 2.98Å; L10-L12 VanDerWaalsContact C-N 3.31Å; L10-L12 PolarHBondContact O-N 3.08Å; L12-K15 PolarHBondContact O-N 3.44Å; L12-L16 WeakPolarHBondContact O-CB 3.45Å; L12-L16 PolarHBondContact O-N 3.45Å |
| 13 | S | 72.8 | Confident | 66.6 | Low | 58 Ų | 58 | 112.2 Ų | 112.2 | 41% | 0.406 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.1 | -39 | 178.1 | 37.8 | 0 | 0 | 0 | 0 | 112.4 | C9 L10 L16 Q17 | C9-S13 WeakPolarHBondContact O-CB 3.34Å; C9-S13 PolarHBondContact O-N 3.46Å; C9-S13 PolarHBondContact O-OG 2.84Å; L10-S13 WeakPolarHBondContact CA-OG 3.39Å; L10-S13 PolarHBondContact O-N 3.07Å; L10-S13 PolarHBondContact O-OG 3.43Å; S13-L16 PolarHBondContact O-N 3.44Å; S13-Q17 WeakPolarHBondContact O-CG 3.5Å; S13-Q17 PolarHBondContact O-N 2.93Å |
| 14 | I | 68.2 | Low | 64.2 | Low | 86 Ų | 86 | 111.1 Ų | 111.1 | 44% | 0.441 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.4 | -47.7 | 172.3 | -68.1 | 167.1 | 0 | 0 | 0 | 110.8 | L10 L16 Q17 L18 | L10-I14 HydrophobicContact CG-CD1 4.16Å; L10-I14 VanDerWaalsContact O-CG1 3.32Å; L10-I14 WeakPolarHBondContact O-CG1 3.24Å; L10-I14 PolarHBondContact O-N 3.46Å; I14-L16 VanDerWaalsContact C-N 3.32Å; I14-L16 PolarHBondContact O-N 3.34Å; I14-Q17 PolarHBondContact O-N 3.37Å; I14-L18 HydrophobicContact CG2-CD1 3.97Å; I14-L18 PolarHBondContact O-N 2.96Å |
| 15 | K | 62.4 | Low | 62.2 | Low | 151 Ų | 151 | 103.3 Ų | 103.3 | 66% | 0.657 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.5 | -39.2 | 176.2 | -82.3 | -165.3 | 174 | -172.4 | 0 | 112.1 | L11 L12 L18 H19 | L11-K15 WeakPolarHBondContact O-CB 3.19Å; L11-K15 PolarHBondContact O-N 3Å; L12-K15 PolarHBondContact O-N 3.44Å; K15-L18 PolarHBondContact O-N 3.43Å; K15-H19 WeakPolarHBondContact O-CB 3.43Å; K15-H19 PolarHBondContact O-N 2.94Å |
| 16 | L | 56.2 | Low | 60.2 | Low | 109 Ų | 109 | 99.9 Ų | 99.9 | 57% | 0.571 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.1 | -44.1 | 178.7 | -166.6 | 72.5 | 0 | 0 | 0 | 110.7 | L12 S13 I14 H19 I20 | L12-L16 WeakPolarHBondContact O-CB 3.45Å; L12-L16 PolarHBondContact O-N 3.45Å; S13-L16 PolarHBondContact O-N 3.44Å; I14-L16 VanDerWaalsContact C-N 3.32Å; I14-L16 PolarHBondContact O-N 3.34Å; L16-H19 PolarHBondContact O-N 2.8Å; L16-I20 HydrophobicContact CG-CD1 4.04Å; L16-I20 WeakPolarHBondContact O-CD1 3.48Å; L16-I20 WeakPolarHBondContact O-CG1 3.44Å; L16-I20 PolarHBondContact O-N 2.88Å |
| 17 | Q | 51.5 | Low | 58.1 | Low | 142 Ų | 142 | 98.6 Ų | 98.6 | 66% | 0.664 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64 | -42.6 | 175.2 | -72.6 | -153 | -23.2 | 0 | 0 | 112.5 | S13 I14 H19 I20 V21 | S13-Q17 WeakPolarHBondContact O-CG 3.5Å; S13-Q17 PolarHBondContact O-N 2.93Å; I14-Q17 PolarHBondContact O-N 3.37Å; Q17-H19 VanDerWaalsContact C-N 3.27Å; Q17-H19 PolarHBondContact O-N 3.42Å; Q17-I20 PolarHBondContact O-N 3.41Å; Q17-V21 WeakPolarHBondContact O-CG2 3.41Å; Q17-V21 PolarHBondContact O-N 2.99Å; Q17-V21 VanDerWaalsContact O-N 3.1Å |
| 18 | L | 44.1 | Very low | 56.1 | Low | 104 Ų | 104 | 97.6 Ų | 97.6 | 55% | 0.545 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.1 | -31.9 | 173.3 | -92.1 | 149.5 | 0 | 0 | 0 | 112.6 | I14 K15 N22 | I14-L18 HydrophobicContact CG2-CD1 3.97Å; I14-L18 PolarHBondContact O-N 2.96Å; K15-L18 PolarHBondContact O-N 3.43Å; L18-N22 WeakPolarHBondContact O-CB 3.45Å; L18-N22 VanDerWaalsContact O-CG 3.3Å; L18-N22 PolarHBondContact O-N 3.38Å; L18-N22 PolarHBondContact O-ND2 2.99Å |
| 19 | H | 38.9 | Very low | 54.7 | Low | 119 Ų | 119 | 96 Ų | 96 | 55% | 0.551 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -75.9 | -37 | 175.5 | -118.2 | -41.7 | 0 | 0 | 0 | 112.9 | K15 L16 Q17 N22 L23 | K15-H19 WeakPolarHBondContact O-CB 3.43Å; K15-H19 PolarHBondContact O-N 2.94Å; L16-H19 PolarHBondContact O-N 2.8Å; Q17-H19 VanDerWaalsContact C-N 3.27Å; Q17-H19 PolarHBondContact O-N 3.42Å; H19-N22 PolarHBondContact O-N 2.91Å; H19-N22 VanDerWaalsContact O-N 3.11Å; H19-L23 PolarHBondContact O-N 2.68Å |
| 20 | I | 42.6 | Very low | 53.4 | Low | 94 Ų | 94 | 98.7 Ų | 98.7 | 48% | 0.482 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 176.4 | -70.4 | 162.5 | 0 | 0 | 0 | 110.6 | L16 Q17 N22 | L16-I20 HydrophobicContact CG-CD1 4.04Å; L16-I20 WeakPolarHBondContact O-CD1 3.48Å; L16-I20 WeakPolarHBondContact O-CG1 3.44Å; L16-I20 PolarHBondContact O-N 2.88Å; Q17-I20 PolarHBondContact O-N 3.41Å; I20-N22 PolarHBondContact O-N 2.94Å |
| 21 | V | 40.8 | Very low | 51.6 | Low | 99 Ų | 99 | 96.1 Ų | 96.1 | 60% | 0.6 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.4 | -28.2 | 175.3 | 175.9 | 0 | 0 | 0 | 0 | 111.9 | Q17 I87 | Q17-V21 WeakPolarHBondContact O-CG2 3.41Å; Q17-V21 PolarHBondContact O-N 2.99Å; Q17-V21 VanDerWaalsContact O-N 3.1Å; V21-I87 HydrophobicContact CG1-CD1 4.26Å |
| 22 | N | 38.4 | Very low | 49.5 | Very low | 53 Ų | 53 | 96.1 Ų | 96.1 | 28% | 0.283 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -86.5 | -17.4 | -170.1 | -88.9 | -44.8 | 0 | 0 | 0 | 115.8 | L18 H19 I20 R70 | L18-N22 WeakPolarHBondContact O-CB 3.45Å; L18-N22 VanDerWaalsContact O-CG 3.3Å; L18-N22 PolarHBondContact O-N 3.38Å; L18-N22 PolarHBondContact O-ND2 2.99Å; H19-N22 PolarHBondContact O-N 2.91Å; H19-N22 VanDerWaalsContact O-N 3.11Å; I20-N22 PolarHBondContact O-N 2.94Å; N22-R70 VanDerWaalsContact OD1-CB 3.28Å; N22-R70 WeakPolarHBondContact OD1-CB 3.07Å; N22-R70 WeakPolarHBondContact OD1-CD 2.81Å |
| 23 | L | 39.3 | Very low | 47.9 | Very low | 121 Ų | 121 | 96 Ų | 96 | 63% | 0.634 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -143.9 | -5 | -167.1 | -90.5 | 143.1 | 0 | 0 | 0 | 116.9 | H19 P25 | H19-L23 PolarHBondContact O-N 2.68Å; L23-P25 VanDerWaalsContact O-CD 3.27Å; L23-P25 WeakPolarHBondContact O-CD 3.44Å |
| 24 | H | 35.2 | Very low | 46.5 | Very low | 114 Ų | 114 | 96.4 Ų | 96.4 | 53% | 0.528 | 53% | 0.527 | S | S | . | . | trans | -94.3 | 115.7 | -178.2 | -110.2 | -53.8 | 0 | 0 | 0 | 112.2 | T26 | H24-T26 PolarHBondContact O-N 3.29Š| ||
| 25 | P | 42.1 | Very low | 45.3 | Very low | 54 Ų | 54 | 99.8 Ų | 99.8 | 35% | 0.351 | 54% | 0.541 | S | S | . | . | trans | -50.4 | 131.2 | 141.8 | 25.3 | -32.9 | 0 | 0 | 0 | 106.4 | L23 I27 I33 | L23-P25 VanDerWaalsContact O-CD 3.27Å; L23-P25 WeakPolarHBondContact O-CD 3.44Å; P25-I27 PolarHBondContact O-N 3.34Å; P25-I33 HydrophobicContact CB-CG2 3.76Å; P25-I33 HydrophobicContact CG-CG2 4.17Å | ||
| 26 | T | 44.3 | Very low | 44.5 | Very low | 71 Ų | 71 | 98.1 Ų | 98.1 | 44% | 0.436 | 54% | 0.535 | S | S | . | . | trans | -59.1 | 102.8 | 178 | -42.5 | 0 | 0 | 0 | 0 | 107.3 | H24 L28 I34 | H24-T26 PolarHBondContact O-N 3.29Å; T26-L28 PolarHBondContact O-N 2.92Å; T26-I34 HydrophobicContact CG2-CD1 4.12Å; T26-I34 WeakPolarHBondContact O-CB 3.33Å; T26-I34 WeakPolarHBondContact O-CG1 3.47Å; T26-I34 PolarHBondContact O-N 3.41Å | ||
| 27 | I | 43 | Very low | 43.8 | Very low | 84 Ų | 84 | 101.8 Ų | 101.8 | 43% | 0.431 | 54% | 0.541 | S | S | . | . | B | Isolated β-bridge | trans | -82 | 110 | 168.6 | -57.4 | -179.2 | 0 | 0 | 0 | 104 | P25 N32 | P25-I27 PolarHBondContact O-N 3.34Å; I27-N32 WeakPolarHBondContact CA-O 3.32Å |
| 28 | L | 44.8 | Very low | 43.7 | Very low | 84 Ų | 84 | 98.3 Ų | 98.3 | 44% | 0.44 | 53% | 0.53 | S | S | . | . | trans | -61.3 | 159.1 | 173.4 | -74 | 166 | 0 | 0 | 0 | 109.2 | T26 D30 G31 N32 I34 | T26-L28 PolarHBondContact O-N 2.92Å; L28-D30 WeakPolarHBondContact CB-OD1 3.39Å; L28-D30 PolarHBondContact O-N 3.11Å; L28-G31 PolarHBondContact O-N 3.1Å; L28-N32 HydrophobicContact CD1-CB 4.45Å; L28-N32 PolarHBondContact N-O 2.88Å; L28-I34 HydrophobicContact CD1-CD1 4.02Å; L28-I34 HydrophobicContact CD1-CG1 4.04Å; L28-I34 HydrophobicContact CD2-CD1 4.17Å; L28-I34 HydrophobicContact CG-CD1 3.93Å; L28-I34 HydrophobicContact CG-CG1 4.1Å | ||
| 29 | A | 55.9 | Low | 44.2 | Very low | 123 Ų | 123 | 96.4 Ų | 96.4 | 100% | 1.017 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -13.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 30 | D | 57 | Low | 44.6 | Very low | 109 Ų | 109 | 99.6 Ų | 99.6 | 58% | 0.583 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | 4 | 176 | 64.2 | -4 | 0 | 0 | 0 | 114.3 | L28 N32 | L28-D30 WeakPolarHBondContact CB-OD1 3.39Å; L28-D30 PolarHBondContact O-N 3.11Å; D30-N32 VanDerWaalsContact CG-ND2 3.33Å; D30-N32 WeakPolarHBondContact OD1-CB 3.41Å; D30-N32 PolarHBondContact OD1-N 3.3Å; D30-N32 VanDerWaalsContact OD1-N 3.14Å; D30-N32 PolarHBondContact OD1-ND2 3.41Å; D30-N32 PolarHBondContact OD2-ND2 3.38Å |
| 31 | G | 48.6 | Very low | 45 | Very low | 50 Ų | 50 | 98 Ų | 98 | 52% | 0.515 | 51% | 0.513 | S | S | . | . | S | Bend | trans | 87.4 | 1.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115 | L28 I33 | L28-G31 PolarHBondContact O-N 3.1Å; G31-I33 PolarHBondContact O-N 3.18Å |
| 32 | N | 34.4 | Very low | 45.6 | Very low | 96 Ų | 96 | 94.9 Ų | 94.9 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | trans | -75.3 | 124.8 | 179.2 | -77.4 | -43 | 0 | 0 | 0 | 112 | I27 L28 D30 I34 | I27-N32 WeakPolarHBondContact CA-O 3.32Å; L28-N32 HydrophobicContact CD1-CB 4.45Å; L28-N32 PolarHBondContact N-O 2.88Å; D30-N32 VanDerWaalsContact CG-ND2 3.33Å; D30-N32 WeakPolarHBondContact OD1-CB 3.41Å; D30-N32 PolarHBondContact OD1-N 3.3Å; D30-N32 VanDerWaalsContact OD1-N 3.14Å; D30-N32 PolarHBondContact OD1-ND2 3.41Å; D30-N32 PolarHBondContact OD2-ND2 3.38Å; N32-I34 PolarHBondContact O-N 3.3Å | ||
| 33 | I | 45.2 | Very low | 46.1 | Very low | 94 Ų | 94 | 99.5 Ų | 99.5 | 48% | 0.482 | 52% | 0.515 | S | S | . | . | B | Isolated β-bridge | trans | -75.3 | 111 | 173 | -59.2 | 175.6 | 0 | 0 | 0 | 108.2 | P25 G31 H35 | P25-I33 HydrophobicContact CB-CG2 3.76Å; P25-I33 HydrophobicContact CG-CG2 4.17Å; G31-I33 PolarHBondContact O-N 3.18Å; I33-H35 PolarHBondContact O-N 3.22Å |
| 34 | I | 43.2 | Very low | 46.9 | Very low | 68 Ų | 68 | 100.7 Ų | 100.7 | 35% | 0.349 | 51% | 0.512 | S | S | . | . | trans | -70.7 | 99.6 | 165.3 | -57.8 | -175.7 | 0 | 0 | 0 | 107.4 | T26 L28 N32 H36 | T26-I34 HydrophobicContact CG2-CD1 4.12Å; T26-I34 WeakPolarHBondContact O-CB 3.33Å; T26-I34 WeakPolarHBondContact O-CG1 3.47Å; T26-I34 PolarHBondContact O-N 3.41Å; L28-I34 HydrophobicContact CD1-CD1 4.02Å; L28-I34 HydrophobicContact CD1-CG1 4.04Å; L28-I34 HydrophobicContact CD2-CD1 4.17Å; L28-I34 HydrophobicContact CG-CD1 3.93Å; L28-I34 HydrophobicContact CG-CG1 4.1Å; N32-I34 PolarHBondContact O-N 3.3Å; I34-H36 PolarHBondContact O-N 2.75Å | ||
| 35 | H | 43 | Very low | 47.9 | Very low | 156 Ų | 156 | 97.8 Ų | 97.8 | 72% | 0.722 | 50% | 0.498 | S | S | * | . | trans | -62 | 118.2 | 156.7 | -68.1 | -77 | 0 | 0 | 0 | 106.7 | I33 R37 | I33-H35 PolarHBondContact O-N 3.22Å; H35-R37 VanDerWaalsContact C-N 3.28Å; H35-R37 PolarHBondContact O-N 3.25Å | ||
| 36 | H | 45.5 | Very low | 48.5 | Very low | 117 Ų | 117 | 98.9 Ų | 98.9 | 54% | 0.542 | 50% | 0.5 | S | S | . | . | trans | -55.1 | 101.5 | 166.5 | -68.6 | -74.6 | 0 | 0 | 0 | 106.8 | I34 T38 H60 | I34-H36 PolarHBondContact O-N 2.75Å; H36-T38 PolarHBondContact O-N 3.05Å; H36-H60 AromaticContact ND1-NE2 3.84Å | ||
| 37 | R | 41.8 | Very low | 48.9 | Very low | 185 Ų | 185 | 101.4 Ų | 101.4 | 70% | 0.698 | 51% | 0.507 | S | S | * | . | trans | -57.5 | 119.1 | -180 | -168.9 | -176.9 | -178.3 | -167.5 | -1.9 | 105.5 | H35 K39 | H35-R37 VanDerWaalsContact C-N 3.28Å; H35-R37 PolarHBondContact O-N 3.25Å; R37-K39 PolarHBondContact O-N 3.38Å; R37-K39 VanDerWaalsContact O-N 3.09Å | ||
| 38 | T | 49.4 | Very low | 49.8 | Very low | 70 Ų | 70 | 104.9 Ų | 104.9 | 43% | 0.429 | 52% | 0.519 | S | S | . | . | trans | -43.9 | 124.1 | 160.1 | 43 | 0 | 0 | 0 | 0 | 106.3 | H36 R40 E59 | H36-T38 PolarHBondContact O-N 3.05Å; T38-R40 WeakPolarHBondContact O-CG 2.87Å; T38-R40 PolarHBondContact O-N 3.33Å; T38-E59 HydrophobicContact CG2-CG 4.5Å | ||
| 39 | K | 54.1 | Low | 50.5 | Low | 64 Ų | 64 | 101.6 Ų | 101.6 | 28% | 0.278 | 50% | 0.503 | S | S | . | . | trans | -49.5 | 102.1 | -178.3 | -66.9 | 176.9 | -178.8 | 171.7 | 0 | 108.2 | R37 W41 F75 E76 | R37-K39 PolarHBondContact O-N 3.38Å; R37-K39 VanDerWaalsContact O-N 3.09Å; K39-W41 HydrophobicContact CB-CZ2 4.18Å; K39-W41 HydrophobicContact CD-CZ2 4.42Å; K39-F75 VanDerWaalsContact NZ-C 3.28Å; K39-F75 PolarHBondContact NZ-O 3.49Å; K39-E76 HydrophobicContact CD-CB 4.27Å; K39-E76 HydrophobicContact CD-CG 4.15Å; K39-E76 VanDerWaalsContact NZ-CA 3.35Å; K39-E76 VanDerWaalsContact NZ-N 3.17Å | ||
| 40 | R | 47.9 | Very low | 50.4 | Low | 186 Ų | 186 | 98.5 Ų | 98.5 | 70% | 0.702 | 48% | 0.483 | S | S | * | . | trans | -100 | 92.3 | -175.5 | -91.5 | -171.3 | 174.8 | -170.4 | -1.2 | 106.3 | T38 | T38-R40 WeakPolarHBondContact O-CG 2.87Å; T38-R40 PolarHBondContact O-N 3.33Å | ||
| 41 | W | 51.7 | Low | 50.1 | Low | 61 Ų | 61 | 105.5 Ų | 105.5 | 23% | 0.231 | 50% | 0.501 | C | S | . | . | trans | -70.4 | 143.3 | 169.6 | -58.8 | 108.1 | 0 | 0 | 0 | 110.2 | K39 E45 I46 E76 P79 | K39-W41 HydrophobicContact CB-CZ2 4.18Å; K39-W41 HydrophobicContact CD-CZ2 4.42Å; W41-E45 HydrophobicContact CB-CB 4.47Å; W41-E45 HydrophobicContact CE3-CB 4.21Å; W41-E45 VanDerWaalsContact CE3-OE2 3.32Å; W41-I46 HydrophobicContact CB-CD1 4.07Å; W41-I46 HydrophobicContact CB-CG1 3.83Å; W41-I46 HydrophobicContact CG-CG1 4.38Å; W41-E76 HydrophobicContact CH2-CG 4.34Å; W41-E76 WeakPolarHBondContact CH2-OE1 3.28Å; W41-E76 WeakPolarHBondContact CH2-OE2 3.36Å; W41-E76 HydrophobicContact CZ2-CG 3.93Å; W41-E76 WeakPolarHBondContact CZ2-OE1 3.48Å; W41-E76 WeakPolarHBondContact CZ2-OE2 3.47Å; W41-P79 HydrophobicContact CD2-CB 4.13Å; W41-P79 HydrophobicContact CE3-CB 3.86Å; W41-P79 HydrophobicContact CE3-CG 4.24Å; W41-P79 HydrophobicContact CH2-CB 4.49Å; W41-P79 HydrophobicContact CZ3-CB 4.05Å; W41-P79 HydrophobicContact CZ3-CG 4.01Å; W41-P79 PolarHBondContact NE1-O 2.88Å | ||
| 42 | A | 53 | Low | 50 | Low | 32 Ų | 32 | 108.5 Ų | 108.5 | 26% | 0.264 | 50% | 0.504 | S | S | . | . | trans | -70.5 | 143.5 | 160.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y44 E45 | A42-Y44 HydrophobicContact CB-CD1 3.48Å; A42-Y44 VanDerWaalsContact CB-CD1 3.48Å; A42-Y44 HydrophobicContact CB-CE1 3.05Å; A42-Y44 HydrophobicContact CB-CE2 4.31Å; A42-Y44 HydrophobicContact CB-CG 4.26Å; A42-Y44 VanDerWaalsContact CB-CZ 3.49Å; A42-Y44 PolarHBondContact O-N 3.22Å; A42-E45 HydrophobicContact CB-CG 4.33Å; A42-E45 PolarHBondContact N-OE2 2.74Å; A42-E45 WeakPolarHBondContact O-CB 3.23Å; A42-E45 PolarHBondContact O-N 2.79Å | ||
| 43 | F | 48.3 | Very low | 50.8 | Low | 151 Ų | 151 | 113.4 Ų | 113.4 | 66% | 0.662 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -50.3 | -34.6 | -177.9 | -177.1 | -105.4 | 0 | 0 | 0 | 113.4 | E45 I46 H47 | F43-E45 VanDerWaalsContact C-N 3.31Å; F43-E45 PolarHBondContact O-N 2.81Å; F43-I46 PolarHBondContact O-N 2.69Å; F43-H47 AromaticContact CD1-CD2 3.98Å; F43-H47 AromaticContact CD1-NE2 3.78Å; F43-H47 AromaticContact CE1-CD2 3.76Å; F43-H47 AromaticContact CE1-CE1 3.35Å; F43-H47 WeakPolarHBondContact CE1-CE1 3.39Å; F43-H47 AromaticContact CE1-NE2 3.08Å; F43-H47 WeakPolarHBondContact CE1-NE2 3.08Å; F43-H47 AromaticContact CE2-NE2 3.46Å; F43-H47 WeakPolarHBondContact CE2-NE2 3.43Å; F43-H47 AromaticContact CZ-CD2 3.83Å; F43-H47 AromaticContact CZ-CE1 3.5Å; F43-H47 AromaticContact CZ-NE2 2.91Å; F43-H47 WeakPolarHBondContact CZ-NE2 3.33Å; F43-H47 PolarHBondContact O-CD2 3.09Å; F43-H47 VanDerWaalsContact O-CD2 3.26Å; F43-H47 PolarHBondContact O-N 3.26Å |
| 44 | Y | 56.5 | Low | 51.3 | Low | 145 Ų | 145 | 110.3 Ų | 110.3 | 57% | 0.569 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.4 | -25.5 | 177.7 | 67.1 | -101.8 | 0 | 0 | 0 | 114 | A42 | A42-Y44 HydrophobicContact CB-CD1 3.48Å; A42-Y44 VanDerWaalsContact CB-CD1 3.48Å; A42-Y44 HydrophobicContact CB-CE1 3.05Å; A42-Y44 HydrophobicContact CB-CE2 4.31Å; A42-Y44 HydrophobicContact CB-CG 4.26Å; A42-Y44 VanDerWaalsContact CB-CZ 3.49Å; A42-Y44 PolarHBondContact O-N 3.22Å |
| 45 | E | 55.9 | Low | 52.2 | Low | 54 Ų | 54 | 111.6 Ų | 111.6 | 25% | 0.252 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -75.5 | -37.5 | 179.2 | -60 | 175.2 | 131.6 | 0 | 0 | 110.4 | W41 A42 F43 K48 C49 P79 | W41-E45 HydrophobicContact CB-CB 4.47Å; W41-E45 HydrophobicContact CE3-CB 4.21Å; W41-E45 VanDerWaalsContact CE3-OE2 3.32Å; A42-E45 HydrophobicContact CB-CG 4.33Å; A42-E45 PolarHBondContact N-OE2 2.74Å; A42-E45 WeakPolarHBondContact O-CB 3.23Å; A42-E45 PolarHBondContact O-N 2.79Å; F43-E45 VanDerWaalsContact C-N 3.31Å; F43-E45 PolarHBondContact O-N 2.81Å; E45-K48 PolarHBondContact O-N 2.81Å; E45-C49 PolarHBondContact O-SG 2.99Å; E45-C49 VanDerWaalsContact O-SG 3.37Å; E45-P79 HydrophobicContact CB-CB 4.43Å |
| 46 | I | 54.1 | Low | 53.5 | Low | 77 Ų | 77 | 105.8 Ų | 105.8 | 40% | 0.395 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.6 | -41.4 | 175.2 | -58.7 | 173.4 | 0 | 0 | 0 | 110.8 | W41 F43 K48 C49 | W41-I46 HydrophobicContact CB-CD1 4.07Å; W41-I46 HydrophobicContact CB-CG1 3.83Å; W41-I46 HydrophobicContact CG-CG1 4.38Å; F43-I46 PolarHBondContact O-N 2.69Å; I46-K48 PolarHBondContact O-N 2.74Å; I46-C49 WeakPolarHBondContact O-CB 3.38Å; I46-C49 PolarHBondContact O-N 3.38Å; I46-C49 VanDerWaalsContact O-N 3.11Å |
| 47 | H | 54.4 | Low | 55.2 | Low | 124 Ų | 124 | 100.3 Ų | 100.3 | 57% | 0.574 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -60 | -31.8 | 179.7 | -86.2 | -131.2 | 0 | 0 | 0 | 113.3 | F43 C49 | F43-H47 AromaticContact CD1-CD2 3.98Å; F43-H47 AromaticContact CD1-NE2 3.78Å; F43-H47 AromaticContact CE1-CD2 3.76Å; F43-H47 AromaticContact CE1-CE1 3.35Å; F43-H47 WeakPolarHBondContact CE1-CE1 3.39Å; F43-H47 AromaticContact CE1-NE2 3.08Å; F43-H47 WeakPolarHBondContact CE1-NE2 3.08Å; F43-H47 AromaticContact CE2-NE2 3.46Å; F43-H47 WeakPolarHBondContact CE2-NE2 3.43Å; F43-H47 AromaticContact CZ-CD2 3.83Å; F43-H47 AromaticContact CZ-CE1 3.5Å; F43-H47 AromaticContact CZ-NE2 2.91Å; F43-H47 WeakPolarHBondContact CZ-NE2 3.33Å; F43-H47 PolarHBondContact O-CD2 3.09Å; F43-H47 VanDerWaalsContact O-CD2 3.26Å; F43-H47 PolarHBondContact O-N 3.26Å; H47-C49 PolarHBondContact O-N 2.89Å |
| 48 | K | 61.1 | Low | 56.9 | Low | 157 Ų | 157 | 96.2 Ų | 96.2 | 68% | 0.683 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -19.7 | 178.4 | -71.5 | -178.7 | -179.9 | -178.1 | 0 | 113.4 | E45 I46 G50 | E45-K48 PolarHBondContact O-N 2.81Å; I46-K48 PolarHBondContact O-N 2.74Å; K48-G50 VanDerWaalsContact C-N 3.33Å; K48-G50 PolarHBondContact O-N 3.36Å |
| 49 | C | 60.2 | Low | 58.3 | Low | 14 Ų | 14 | 97.1 Ų | 97.1 | 10% | 0.095 | 46% | 0.456 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -9.3 | -167.9 | -62.1 | 0 | 0 | 0 | 0 | 115.9 | E45 I46 H47 R51 I52 C80 | E45-C49 PolarHBondContact O-SG 2.99Å; E45-C49 VanDerWaalsContact O-SG 3.37Å; I46-C49 WeakPolarHBondContact O-CB 3.38Å; I46-C49 PolarHBondContact O-N 3.38Å; I46-C49 VanDerWaalsContact O-N 3.11Å; H47-C49 PolarHBondContact O-N 2.89Å; C49-R51 PolarHBondContact O-N 3.35Å; C49-I52 PolarHBondContact O-N 3.35Å; C49-C80 HydrophobicContact CB-CB 3.4Å; C49-C80 WeakPolarHBondContact CB-SG 3.27Å; C49-C80 WeakPolarHBondContact SG-CB 3.36Å; C49-C80 CovalentContact SG-SG 1.99Å; C49-C80 PolarHBondContact SG-SG 3.24Å |
| 50 | G | 53.8 | Low | 59.7 | Low | 59 Ų | 59 | 97.6 Ų | 97.6 | 61% | 0.608 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | -139.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | K48 I52 | K48-G50 VanDerWaalsContact C-N 3.33Å; K48-G50 PolarHBondContact O-N 3.36Å; G50-I52 PolarHBondContact O-N 2.88Å |
| 51 | R | 49.3 | Very low | 61.4 | Low | 256 Ų | 256 | 96 Ų | 96 | 97% | 0.966 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -6.9 | -178.2 | -78.1 | -173.4 | -178.4 | 174.9 | 1 | 114.9 | C49 K53 | C49-R51 PolarHBondContact O-N 3.35Å; R51-K53 VanDerWaalsContact C-N 3.27Å; R51-K53 PolarHBondContact O-N 2.95Å |
| 52 | I | 47 | Very low | 62.9 | Low | 112 Ų | 112 | 96 Ų | 96 | 57% | 0.574 | 46% | 0.455 | S | S | * | . | trans | -78.9 | 80.8 | 178.5 | -53 | 177.7 | 0 | 0 | 0 | 108.6 | C49 G50 | C49-I52 PolarHBondContact O-N 3.35Å; G50-I52 PolarHBondContact O-N 2.88Å | ||
| 53 | K | 51.4 | Low | 64.5 | Low | 200 Ų | 200 | 94.5 Ų | 94.5 | 87% | 0.87 | 44% | 0.443 | S | S | * | . | trans | -94.3 | 91.1 | 166.8 | -65.7 | -174.1 | 179.7 | -176.7 | 0 | 107.3 | R51 | R51-K53 VanDerWaalsContact C-N 3.27Å; R51-K53 PolarHBondContact O-N 2.95Å | ||
| 54 | G | 56.8 | Low | 66.3 | Low | 28 Ų | 28 | 89.8 Ų | 89.8 | 29% | 0.289 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 29.5 | -164.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | S56 C80 | G54-S56 PolarHBondContact O-N 3.43Å; G54-C80 CarbonylContact C-O 3.57Å |
| 55 | Y | 61 | Low | 67.7 | Low | 95 Ų | 95 | 85.7 Ų | 85.7 | 37% | 0.373 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 109.5 | 174.4 | -61.1 | -75.6 | 0 | 0 | 0 | 109.6 | L58 P79 S82 | Y55-L58 HydrophobicContact CD1-CD2 4.05Å; Y55-L58 HydrophobicContact CD2-CD2 4.49Å; Y55-L58 HydrophobicContact CG-CD2 3.97Å; Y55-P79 WeakPolarHBondContact CE1-O 3.45Å; Y55-P79 PolarHBondContact OH-O 2.86Å; Y55-S82 WeakPolarHBondContact CA-OG 3.48Å |
| 56 | S | 71.5 | Confident | 69.1 | Low | 35 Ų | 35 | 87 Ų | 87 | 25% | 0.245 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -77.5 | -30.2 | 166.4 | 78.4 | 0 | 0 | 0 | 0 | 110.3 | G54 R66 S82 S83 | G54-S56 PolarHBondContact O-N 3.43Å; S56-R66 PolarHBondContact O-NH1 3.35Å; S56-R66 PolarHBondContact O-NH2 2.04Å; S56-S82 VanDerWaalsContact CB-O 3.26Å; S56-S82 WeakPolarHBondContact CB-O 2.82Å; S56-S82 PolarHBondContact N-O 2.81Å; S56-S82 PolarHBondContact N-OG 2.99Å; S56-S82 PolarHBondContact OG-O 3.23Å; S56-S83 WeakPolarHBondContact OG-CA 3.46Å |
| 57 | C | 79.8 | Confident | 70.6 | Confident | 2 Ų | 2 | 84.7 Ų | 84.7 | 1% | 0.014 | 40% | 0.396 | C | S | . | . | trans | -147.3 | 144.7 | -178 | 61 | 0 | 0 | 0 | 0 | 111.9 | H62 C74 S82 | C57-H62 HydrophobicContact CB-CB 4.08Å; C57-C74 HydrophobicContact CB-CB 3.73Å; C57-C74 WeakPolarHBondContact CB-SG 3.45Å; C57-C74 PolarHBondContact O-SG 2.89Å; C57-C74 WeakPolarHBondContact SG-CA 3.47Å; C57-C74 WeakPolarHBondContact SG-CB 3.44Å; C57-C74 CovalentContact SG-SG 2.04Å; C57-C74 PolarHBondContact SG-SG 3.4Å; C57-S82 PolarHBondContact N-OG 2.71Å; C57-S82 WeakPolarHBondContact O-CB 3.34Å; C57-S82 PolarHBondContact O-OG 2.64Å | ||
| 58 | L | 76.9 | Confident | 72.1 | Confident | 99 Ų | 99 | 81.3 Ų | 81.3 | 52% | 0.518 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -104.4 | -37.5 | 174.5 | -61.3 | 176 | 0 | 0 | 0 | 110.3 | Y55 H62 | Y55-L58 HydrophobicContact CD1-CD2 4.05Å; Y55-L58 HydrophobicContact CD2-CD2 4.49Å; Y55-L58 HydrophobicContact CG-CD2 3.97Å; L58-H62 PolarHBondContact N-ND1 3.11Å |
| 59 | E | 79.2 | Confident | 73 | Confident | 88 Ų | 88 | 74.6 Ų | 74.6 | 41% | 0.411 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -126.1 | 158.7 | -179.1 | -62.1 | -179.5 | -174.1 | 0 | 0 | 110.5 | T38 R61 H62 C74 | T38-E59 HydrophobicContact CG2-CG 4.5Å; E59-R61 PolarHBondContact O-N 3.13Å; E59-H62 WeakPolarHBondContact O-CB 3.48Å; E59-H62 PolarHBondContact O-N 3.41Å; E59-H62 VanDerWaalsContact O-N 3.13Å; E59-C74 WeakPolarHBondContact O-CB 3.4Å |
| 60 | H | 83.8 | Confident | 74.1 | Confident | 75 Ų | 75 | 79.3 Ų | 79.3 | 35% | 0.347 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -58.5 | -33.4 | 174.4 | -56.9 | -48.2 | 0 | 0 | 0 | 111.9 | H36 H62 C63 Y64 C74 | H36-H60 AromaticContact ND1-NE2 3.84Å; H60-H62 VanDerWaalsContact C-N 3.27Å; H60-H62 PolarHBondContact O-N 2.94Å; H60-C63 WeakPolarHBondContact O-CB 3.43Å; H60-C63 PolarHBondContact O-N 3.48Å; H60-Y64 PolarHBondContact O-N 3.27Å; H60-C74 PolarHBondContact CE1-O 3.28Å; H60-C74 PolarHBondContact ND1-N 3.47Å; H60-C74 VanDerWaalsContact ND1-N 3.15Å; H60-C74 PolarHBondContact ND1-O 3.4Å |
| 61 | R | 83 | Confident | 75.5 | Confident | 151 Ų | 151 | 79.6 Ų | 79.6 | 57% | 0.57 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -55.3 | -38.6 | 175.6 | -179.9 | 178.7 | 166.3 | -173.6 | -6.7 | 112.8 | E59 C63 Y64 E65 | E59-R61 PolarHBondContact O-N 3.13Å; R61-C63 PolarHBondContact O-N 2.9Å; R61-Y64 WeakPolarHBondContact O-CB 3.35Å; R61-Y64 PolarHBondContact O-N 3.05Å; R61-Y64 VanDerWaalsContact O-N 3.13Å; R61-E65 HydrophobicContact CG-CG 4.18Å; R61-E65 IonicContact CZ-OE1 2.94Å; R61-E65 IonicContact NE-OE1 3.69Å; R61-E65 PolarHBondContact NE-OE1 2.89Å; R61-E65 IonicContact NE-OE2 3.14Å; R61-E65 IonicContact NH2-OE1 3.11Å; R61-E65 PolarHBondContact NH2-OE1 3.22Å; R61-E65 WeakPolarHBondContact O-CG 3.23Å; R61-E65 PolarHBondContact O-N 3.28Å |
| 62 | H | 83.8 | Confident | 77.2 | Confident | 62 Ų | 62 | 67.8 Ų | 67.8 | 29% | 0.287 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.7 | -34.4 | 178.8 | -64.6 | -179.4 | 0 | 0 | 0 | 112 | C57 L58 E59 H60 R66 | C57-H62 HydrophobicContact CB-CB 4.08Å; L58-H62 PolarHBondContact N-ND1 3.11Å; E59-H62 WeakPolarHBondContact O-CB 3.48Å; E59-H62 PolarHBondContact O-N 3.41Å; E59-H62 VanDerWaalsContact O-N 3.13Å; H60-H62 VanDerWaalsContact C-N 3.27Å; H60-H62 PolarHBondContact O-N 2.94Å; H62-R66 WeakPolarHBondContact O-CB 3.3Å; H62-R66 PolarHBondContact O-N 2.96Å |
| 63 | C | 86.7 | Confident | 79.1 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -72.1 | -40.1 | 176.5 | -62.8 | 0 | 0 | 0 | 0 | 111.7 | H60 R61 Y67 M72 C74 C84 | H60-C63 WeakPolarHBondContact O-CB 3.43Å; H60-C63 PolarHBondContact O-N 3.48Å; R61-C63 PolarHBondContact O-N 2.9Å; C63-Y67 WeakPolarHBondContact O-CB 2.99Å; C63-Y67 WeakPolarHBondContact O-CD2 3.19Å; C63-Y67 PolarHBondContact O-N 3.19Å; C63-M72 HydrophobicContact CB-CB 4.25Å; C63-C74 VanDerWaalsContact SG-CA 3.51Å; C63-C74 PolarHBondContact SG-N 3.2Å; C63-C74 VanDerWaalsContact SG-N 3.41Å; C63-C84 WeakPolarHBondContact CA-SG 3.4Å; C63-C84 HydrophobicContact CB-CB 3.68Å; C63-C84 WeakPolarHBondContact CB-SG 3.01Å; C63-C84 WeakPolarHBondContact SG-CA 3.44Å; C63-C84 WeakPolarHBondContact SG-CB 3.4Å; C63-C84 CovalentContact SG-SG 2.03Å; C63-C84 PolarHBondContact SG-SG 2.94Å |
| 64 | Y | 85.4 | Confident | 80.7 | Confident | 53 Ų | 53 | 54.5 Ų | 54.5 | 21% | 0.208 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.2 | -50 | 172.3 | 167.2 | -107.9 | 0 | 0 | 0 | 111.6 | H60 R61 R66 L68 R70 | H60-Y64 PolarHBondContact O-N 3.27Å; R61-Y64 WeakPolarHBondContact O-CB 3.35Å; R61-Y64 PolarHBondContact O-N 3.05Å; R61-Y64 VanDerWaalsContact O-N 3.13Å; Y64-R66 VanDerWaalsContact C-N 3.34Å; Y64-R66 PolarHBondContact O-N 3.13Å; Y64-L68 WeakPolarHBondContact O-CA 2.97Å; Y64-L68 PolarHBondContact O-N 3.37Å; Y64-R70 HydrophobicContact CD2-CG 3.98Å; Y64-R70 HydrophobicContact CE2-CG 4.03Å |
| 65 | E | 85.9 | Confident | 81.9 | Confident | 59 Ų | 59 | 55.6 Ų | 55.6 | 28% | 0.276 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -64.7 | -39.1 | -179.4 | -70 | 174.8 | 156.4 | 0 | 0 | 112 | R61 | R61-E65 HydrophobicContact CG-CG 4.18Å; R61-E65 IonicContact CZ-OE1 2.94Å; R61-E65 IonicContact NE-OE1 3.69Å; R61-E65 PolarHBondContact NE-OE1 2.89Å; R61-E65 IonicContact NE-OE2 3.14Å; R61-E65 IonicContact NH2-OE1 3.11Å; R61-E65 PolarHBondContact NH2-OE1 3.22Å; R61-E65 WeakPolarHBondContact O-CG 3.23Å; R61-E65 PolarHBondContact O-N 3.28Å |
| 66 | R | 86 | Confident | 82.7 | Confident | 81 Ų | 81 | 54.1 Ų | 54.1 | 31% | 0.306 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -67.2 | -50.3 | 178.5 | -175.5 | 174.9 | -70.4 | 143.6 | 2.4 | 111.9 | S56 H62 Y64 I117 R121 | S56-R66 PolarHBondContact O-NH1 3.35Å; S56-R66 PolarHBondContact O-NH2 2.04Å; H62-R66 WeakPolarHBondContact O-CB 3.3Å; H62-R66 PolarHBondContact O-N 2.96Å; Y64-R66 VanDerWaalsContact C-N 3.34Å; Y64-R66 PolarHBondContact O-N 3.13Å; R66-I117 HydrophobicContact CG-CD1 3.83Å; R66-I117 HydrophobicContact CG-CG1 4.03Å; R66-I117 HydrophobicContact CG-CG2 4.27Å; R66-I117 WeakPolarHBondContact O-CG2 3.02Å; R66-R121 VanDerWaalsContact O-CZ 3.27Å; R66-R121 PolarHBondContact O-NE 2.9Å; R66-R121 PolarHBondContact O-NH2 3.12Å |
| 67 | Y | 86.4 | Confident | 82.9 | Confident | 29 Ų | 29 | 53.7 Ų | 53.7 | 11% | 0.114 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -102.8 | -8.7 | -170.2 | -64.3 | -77.7 | 0 | 0 | 0 | 114.6 | C63 R69 M72 C84 I117 V120 | C63-Y67 WeakPolarHBondContact O-CB 2.99Å; C63-Y67 WeakPolarHBondContact O-CD2 3.19Å; C63-Y67 PolarHBondContact O-N 3.19Å; Y67-R69 VanDerWaalsContact O-CG 3.27Å; Y67-R69 WeakPolarHBondContact O-CG 3.36Å; Y67-R69 PolarHBondContact O-N 3.41Å; Y67-M72 WeakPolarHBondContact CB-SD 3.35Å; Y67-M72 HydrophobicContact CD1-CE 4.32Å; Y67-M72 HydrophobicContact CD1-SD 4.2Å; Y67-M72 HydrophobicContact CD2-CE 3.65Å; Y67-M72 HydrophobicContact CD2-SD 3.71Å; Y67-M72 HydrophobicContact CE2-CE 3.91Å; Y67-M72 HydrophobicContact CG-CE 3.87Å; Y67-M72 HydrophobicContact CG-SD 3.5Å; Y67-M72 VanDerWaalsContact CG-SD 3.5Å; Y67-C84 HydrophobicContact CD2-CB 3.96Å; Y67-C84 HydrophobicContact CE2-CB 3.46Å; Y67-C84 VanDerWaalsContact CE2-CB 3.46Å; Y67-I117 HydrophobicContact CE1-CB 4.37Å; Y67-I117 HydrophobicContact CE1-CG1 4Å; Y67-V120 HydrophobicContact CD1-CB 3.79Å; Y67-V120 HydrophobicContact CD1-CG1 3.72Å; Y67-V120 HydrophobicContact CD1-CG2 4.22Å; Y67-V120 HydrophobicContact CE1-CB 4.29Å; Y67-V120 HydrophobicContact CE1-CG2 4.29Å; Y67-V120 HydrophobicContact CG-CG1 4.27Å |
| 68 | L | 84.3 | Confident | 82.5 | Confident | 53 Ų | 53 | 59 Ų | 59 | 28% | 0.277 | 26% | 0.262 | S | S | . | . | trans | 57.1 | 33.1 | -175.1 | -56.2 | 176.8 | 0 | 0 | 0 | 113.4 | Y64 L135 | Y64-L68 WeakPolarHBondContact O-CA 2.97Å; Y64-L68 PolarHBondContact O-N 3.37Å; L68-L135 WeakPolarHBondContact O-CD2 3.3Å | ||
| 69 | R | 81.7 | Confident | 82.1 | Confident | 16 Ų | 16 | 55.5 Ų | 55.5 | 6% | 0.06 | 25% | 0.246 | C | C | . | . | trans | -126.9 | 138.7 | 178.1 | -37.8 | -161.3 | -43.5 | 118.4 | 21.9 | 111.4 | Y67 D71 M72 V120 T124 | Y67-R69 VanDerWaalsContact O-CG 3.27Å; Y67-R69 WeakPolarHBondContact O-CG 3.36Å; Y67-R69 PolarHBondContact O-N 3.41Å; R69-D71 WeakPolarHBondContact CB-OD1 3.46Å; R69-D71 IonicContact CZ-OD1 3.11Å; R69-D71 IonicContact CZ-OD2 2.74Å; R69-D71 IonicContact NE-OD1 2.64Å; R69-D71 VanDerWaalsContact NH1-CG 3.33Å; R69-D71 IonicContact NH1-OD1 2.78Å; R69-D71 PolarHBondContact NH1-OD1 2.87Å; R69-D71 VanDerWaalsContact NH1-OD1 3.11Å; R69-D71 IonicContact NH1-OD2 3.95Å; R69-D71 PolarHBondContact NH1-OD2 3.15Å; R69-D71 PolarHBondContact NH2-O 3.03Å; R69-D71 IonicContact NH2-OD1 2.71Å; R69-D71 PolarHBondContact NH2-OD1 3.06Å; R69-D71 IonicContact NH2-OD2 2.69Å; R69-D71 PolarHBondContact NH2-OD2 3.19Å; R69-M72 HydrophobicContact CB-CG 4.11Å; R69-M72 HydrophobicContact CB-SD 4.33Å; R69-M72 HydrophobicContact CG-SD 4.25Å; R69-M72 PolarHBondContact NE-SD 2.92Å; R69-V120 HydrophobicContact CG-CG1 4.34Å; R69-T124 WeakPolarHBondContact CD-OG1 3.21Å; R69-T124 HydrophobicContact CG-CG2 3.99Å; R69-T124 WeakPolarHBondContact CG-OG1 3.41Å | ||
| 70 | R | 81.9 | Confident | 81.6 | Confident | 112 Ų | 112 | 51.5 Ų | 51.5 | 42% | 0.423 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -17.4 | -179.6 | -62.1 | -170.6 | 179.3 | -179.6 | -4.7 | 113.4 | N22 Y64 M72 | N22-R70 VanDerWaalsContact OD1-CB 3.28Å; N22-R70 WeakPolarHBondContact OD1-CB 3.07Å; N22-R70 WeakPolarHBondContact OD1-CD 2.81Å; Y64-R70 HydrophobicContact CD2-CG 3.98Å; Y64-R70 HydrophobicContact CE2-CG 4.03Å; R70-M72 PolarHBondContact O-N 3.49Å |
| 71 | D | 83.5 | Confident | 81.2 | Confident | 66 Ų | 66 | 49.7 Ų | 49.7 | 35% | 0.353 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 18.9 | 174 | 64.8 | -40.1 | 0 | 0 | 0 | 112.4 | R69 F86 I87 | R69-D71 WeakPolarHBondContact CB-OD1 3.46Å; R69-D71 IonicContact CZ-OD1 3.11Å; R69-D71 IonicContact CZ-OD2 2.74Å; R69-D71 IonicContact NE-OD1 2.64Å; R69-D71 VanDerWaalsContact NH1-CG 3.33Å; R69-D71 IonicContact NH1-OD1 2.78Å; R69-D71 PolarHBondContact NH1-OD1 2.87Å; R69-D71 VanDerWaalsContact NH1-OD1 3.11Å; R69-D71 IonicContact NH1-OD2 3.95Å; R69-D71 PolarHBondContact NH1-OD2 3.15Å; R69-D71 PolarHBondContact NH2-O 3.03Å; R69-D71 IonicContact NH2-OD1 2.71Å; R69-D71 PolarHBondContact NH2-OD1 3.06Å; R69-D71 IonicContact NH2-OD2 2.69Å; R69-D71 PolarHBondContact NH2-OD2 3.19Å; D71-F86 WeakPolarHBondContact O-CA 2.91Å; D71-I87 PolarHBondContact O-N 2.87Å |
| 72 | M | 86.1 | Confident | 81 | Confident | 8 Ų | 8 | 42.7 Ų | 42.7 | 4% | 0.039 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 135.9 | 167.4 | -64.9 | -173.5 | 79.4 | 0 | 0 | 110.8 | C63 Y67 R69 R70 C84 I85 F86 V120 | C63-M72 HydrophobicContact CB-CB 4.25Å; Y67-M72 WeakPolarHBondContact CB-SD 3.35Å; Y67-M72 HydrophobicContact CD1-CE 4.32Å; Y67-M72 HydrophobicContact CD1-SD 4.2Å; Y67-M72 HydrophobicContact CD2-CE 3.65Å; Y67-M72 HydrophobicContact CD2-SD 3.71Å; Y67-M72 HydrophobicContact CE2-CE 3.91Å; Y67-M72 HydrophobicContact CG-CE 3.87Å; Y67-M72 HydrophobicContact CG-SD 3.5Å; Y67-M72 VanDerWaalsContact CG-SD 3.5Å; R69-M72 HydrophobicContact CB-CG 4.11Å; R69-M72 HydrophobicContact CB-SD 4.33Å; R69-M72 HydrophobicContact CG-SD 4.25Å; R69-M72 PolarHBondContact NE-SD 2.92Å; R70-M72 PolarHBondContact O-N 3.49Å; M72-C84 HydrophobicContact CE-CB 3.91Å; M72-I85 CarbonylContact C-O 3.54Å; M72-I85 VanDerWaalsContact CA-O 3.23Å; M72-I85 WeakPolarHBondContact CA-O 3.41Å; M72-F86 HydrophobicContact CE-CD2 4.21Å; M72-F86 HydrophobicContact CE-CE2 4.04Å; M72-F86 HydrophobicContact SD-CE2 4.43Å; M72-V120 HydrophobicContact SD-CG1 4.12Å |
| 73 | V | 86.3 | Confident | 81 | Confident | 28 Ų | 28 | 42 Ų | 42 | 17% | 0.17 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 145.6 | 178.9 | -67.8 | 0 | 0 | 0 | 0 | 110.3 | F75 C84 I85 I87 L90 | V73-F75 PolarHBondContact O-N 3.25Å; V73-F75 VanDerWaalsContact O-N 3.11Å; V73-C84 WeakPolarHBondContact O-CA 3.17Å; V73-I85 HydrophobicContact CG2-CG2 3.9Å; V73-I85 PolarHBondContact N-O 3Å; V73-I85 PolarHBondContact O-N 3.2Å; V73-I87 HydrophobicContact CB-CG1 4.48Å; V73-I87 HydrophobicContact CG1-CD1 3.89Å; V73-I87 HydrophobicContact CG1-CG1 3.69Å; V73-I87 HydrophobicContact CG2-CG1 4.05Å; V73-L90 HydrophobicContact CG2-CD1 3.81Å |
| 74 | C | 84.3 | Confident | 80.9 | Confident | 5 Ų | 5 | 42.6 Ų | 42.6 | 3% | 0.034 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 106.6 | 167 | -172.4 | 0 | 0 | 0 | 0 | 110.6 | C57 E59 H60 C63 | C57-C74 HydrophobicContact CB-CB 3.73Å; C57-C74 WeakPolarHBondContact CB-SG 3.45Å; C57-C74 PolarHBondContact O-SG 2.89Å; C57-C74 WeakPolarHBondContact SG-CA 3.47Å; C57-C74 WeakPolarHBondContact SG-CB 3.44Å; C57-C74 CovalentContact SG-SG 2.04Å; C57-C74 PolarHBondContact SG-SG 3.4Å; E59-C74 WeakPolarHBondContact O-CB 3.4Å; H60-C74 PolarHBondContact CE1-O 3.28Å; H60-C74 PolarHBondContact ND1-N 3.47Å; H60-C74 VanDerWaalsContact ND1-N 3.15Å; H60-C74 PolarHBondContact ND1-O 3.4Å; C63-C74 VanDerWaalsContact SG-CA 3.51Å; C63-C74 PolarHBondContact SG-N 3.2Å; C63-C74 VanDerWaalsContact SG-N 3.41Å |
| 75 | F | 83.4 | Confident | 80.9 | Confident | 50 Ų | 50 | 40.7 Ų | 40.7 | 22% | 0.219 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 145.1 | 177.2 | 177.5 | -108 | 0 | 0 | 0 | 110.6 | K39 V73 V77 S82 S83 I85 L90 L96 I100 | K39-F75 VanDerWaalsContact NZ-C 3.28Å; K39-F75 PolarHBondContact NZ-O 3.49Å; V73-F75 PolarHBondContact O-N 3.25Å; V73-F75 VanDerWaalsContact O-N 3.11Å; F75-V77 HydrophobicContact CD1-CG2 3.79Å; F75-V77 HydrophobicContact CE1-CG2 3.91Å; F75-S82 CarbonylContact O-C 3.59Å; F75-S82 VanDerWaalsContact O-CA 3.26Å; F75-S82 WeakPolarHBondContact O-CA 3.41Å; F75-S83 WeakPolarHBondContact CA-O 3.41Å; F75-S83 PolarHBondContact N-O 2.94Å; F75-S83 PolarHBondContact O-N 2.94Å; F75-I85 HydrophobicContact CB-CB 4.1Å; F75-I85 HydrophobicContact CB-CG2 3.43Å; F75-I85 VanDerWaalsContact CB-CG2 3.43Å; F75-I85 HydrophobicContact CG-CG2 4.09Å; F75-L90 HydrophobicContact CD2-CD2 3.71Å; F75-L90 HydrophobicContact CE2-CD2 3.9Å; F75-L90 HydrophobicContact CG-CD2 4.3Å; F75-L96 HydrophobicContact CE1-CD1 4.35Å; F75-L96 HydrophobicContact CZ-CD2 4.32Å; F75-I100 HydrophobicContact CE1-CD1 4.01Å; F75-I100 HydrophobicContact CZ-CD1 4.17Å |
| 76 | E | 77 | Confident | 80.9 | Confident | 65 Ų | 65 | 40.9 Ų | 40.9 | 30% | 0.304 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 123.4 | 175.8 | -157.5 | -166.1 | 120.3 | 0 | 0 | 109.9 | K39 W41 | K39-E76 HydrophobicContact CD-CB 4.27Å; K39-E76 HydrophobicContact CD-CG 4.15Å; K39-E76 VanDerWaalsContact NZ-CA 3.35Å; K39-E76 VanDerWaalsContact NZ-N 3.17Å; W41-E76 HydrophobicContact CH2-CG 4.34Å; W41-E76 WeakPolarHBondContact CH2-OE1 3.28Å; W41-E76 WeakPolarHBondContact CH2-OE2 3.36Å; W41-E76 HydrophobicContact CZ2-CG 3.93Å; W41-E76 WeakPolarHBondContact CZ2-OE1 3.48Å; W41-E76 WeakPolarHBondContact CZ2-OE2 3.47Å |
| 77 | V | 75.5 | Confident | 80.9 | Confident | 25 Ų | 25 | 39.2 Ų | 39.2 | 15% | 0.152 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | -37.1 | 176.8 | -174.9 | 0 | 0 | 0 | 0 | 110 | F75 L81 I100 L103 L104 | F75-V77 HydrophobicContact CD1-CG2 3.79Å; F75-V77 HydrophobicContact CE1-CG2 3.91Å; V77-L81 HydrophobicContact CB-CB 4.41Å; V77-L81 HydrophobicContact CB-CD2 4.08Å; V77-L81 HydrophobicContact CB-CG 4.13Å; V77-L81 HydrophobicContact CG1-CD2 4.05Å; V77-L81 PolarHBondContact N-O 3.31Å; V77-I100 HydrophobicContact CG1-CG1 4.35Å; V77-I100 HydrophobicContact CG1-CG2 4.18Å; V77-L103 HydrophobicContact CG1-CD2 4.48Å; V77-L104 HydrophobicContact CG1-CD1 3.94Å; V77-L104 HydrophobicContact CG1-CD2 4Å; V77-L104 HydrophobicContact CG1-CG 3.97Å |
| 78 | Y | 71.4 | Confident | 80.6 | Confident | 113 Ų | 113 | 41.1 Ų | 41.1 | 44% | 0.443 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 159.5 | 178.9 | -166.7 | -106.4 | 0 | 0 | 0 | 108.5 | C80 L81 | Y78-C80 PolarHBondContact O-N 2.91Å; Y78-L81 PolarHBondContact N-O 2.94Å; Y78-L81 VanDerWaalsContact N-O 3.08Å; Y78-L81 CarbonylContact O-C 3.45Å; Y78-L81 PolarHBondContact O-N 2.9Å |
| 79 | P | 67.8 | Low | 80.5 | Confident | 27 Ų | 27 | 41 Ų | 41 | 18% | 0.175 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.7 | -30.7 | -179.9 | -35.6 | 37.7 | 0 | 0 | 0 | 115.8 | W41 E45 Y55 | W41-P79 HydrophobicContact CD2-CB 4.13Å; W41-P79 HydrophobicContact CE3-CB 3.86Å; W41-P79 HydrophobicContact CE3-CG 4.24Å; W41-P79 HydrophobicContact CH2-CB 4.49Å; W41-P79 HydrophobicContact CZ3-CB 4.05Å; W41-P79 HydrophobicContact CZ3-CG 4.01Å; W41-P79 PolarHBondContact NE1-O 2.88Å; E45-P79 HydrophobicContact CB-CB 4.43Å; Y55-P79 WeakPolarHBondContact CE1-O 3.45Å; Y55-P79 PolarHBondContact OH-O 2.86Å |
| 80 | C | 70 | Confident | 80.5 | Confident | 4 Ų | 4 | 43.2 Ų | 43.2 | 3% | 0.027 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | 10.5 | 177.6 | -60.8 | 0 | 0 | 0 | 0 | 115.3 | C49 G54 Y78 | C49-C80 HydrophobicContact CB-CB 3.4Å; C49-C80 WeakPolarHBondContact CB-SG 3.27Å; C49-C80 WeakPolarHBondContact SG-CB 3.36Å; C49-C80 CovalentContact SG-SG 1.99Å; C49-C80 PolarHBondContact SG-SG 3.24Å; G54-C80 CarbonylContact C-O 3.57Å; Y78-C80 PolarHBondContact O-N 2.91Å |
| 81 | L | 74.9 | Confident | 80.7 | Confident | 37 Ų | 37 | 45.5 Ų | 45.5 | 19% | 0.194 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 109.9 | 177 | -173.7 | 63 | 0 | 0 | 0 | 109.8 | V77 Y78 L103 L104 | V77-L81 HydrophobicContact CB-CB 4.41Å; V77-L81 HydrophobicContact CB-CD2 4.08Å; V77-L81 HydrophobicContact CB-CG 4.13Å; V77-L81 HydrophobicContact CG1-CD2 4.05Å; V77-L81 PolarHBondContact N-O 3.31Å; Y78-L81 PolarHBondContact N-O 2.94Å; Y78-L81 VanDerWaalsContact N-O 3.08Å; Y78-L81 CarbonylContact O-C 3.45Å; Y78-L81 PolarHBondContact O-N 2.9Å; L81-L103 HydrophobicContact CD2-CD2 3.89Å; L81-L103 HydrophobicContact CD2-CG 4.31Å; L81-L104 HydrophobicContact CD2-CD2 3.76Å |
| 82 | S | 79.3 | Confident | 80.8 | Confident | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 142.8 | 171.2 | 56.4 | 0 | 0 | 0 | 0 | 109.4 | Y55 S56 C57 F75 | Y55-S82 WeakPolarHBondContact CA-OG 3.48Å; S56-S82 VanDerWaalsContact CB-O 3.26Å; S56-S82 WeakPolarHBondContact CB-O 2.82Å; S56-S82 PolarHBondContact N-O 2.81Å; S56-S82 PolarHBondContact N-OG 2.99Å; S56-S82 PolarHBondContact OG-O 3.23Å; C57-S82 PolarHBondContact N-OG 2.71Å; C57-S82 WeakPolarHBondContact O-CB 3.34Å; C57-S82 PolarHBondContact O-OG 2.64Å; F75-S82 CarbonylContact O-C 3.59Å; F75-S82 VanDerWaalsContact O-CA 3.26Å; F75-S82 WeakPolarHBondContact O-CA 3.41Å |
| 83 | S | 82.5 | Confident | 80.9 | Confident | 47 Ų | 47 | 48.2 Ų | 48.2 | 33% | 0.329 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 149.6 | 176.8 | -161.5 | 0 | 0 | 0 | 0 | 111.3 | S56 F75 | S56-S83 WeakPolarHBondContact OG-CA 3.46Å; F75-S83 WeakPolarHBondContact CA-O 3.41Å; F75-S83 PolarHBondContact N-O 2.94Å; F75-S83 PolarHBondContact O-N 2.94Å |
| 84 | C | 85.1 | Confident | 80.9 | Confident | 13 Ų | 13 | 54.8 Ų | 54.8 | 9% | 0.088 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 121.5 | 167.8 | -63.4 | 0 | 0 | 0 | 0 | 109.1 | C63 Y67 M72 V73 | C63-C84 WeakPolarHBondContact CA-SG 3.4Å; C63-C84 HydrophobicContact CB-CB 3.68Å; C63-C84 WeakPolarHBondContact CB-SG 3.01Å; C63-C84 WeakPolarHBondContact SG-CA 3.44Å; C63-C84 WeakPolarHBondContact SG-CB 3.4Å; C63-C84 CovalentContact SG-SG 2.03Å; C63-C84 PolarHBondContact SG-SG 2.94Å; Y67-C84 HydrophobicContact CD2-CB 3.96Å; Y67-C84 HydrophobicContact CE2-CB 3.46Å; Y67-C84 VanDerWaalsContact CE2-CB 3.46Å; M72-C84 HydrophobicContact CE-CB 3.91Å; V73-C84 WeakPolarHBondContact O-CA 3.17Å |
| 85 | I | 85.4 | Confident | 81.1 | Confident | 13 Ų | 13 | 59.4 Ų | 59.4 | 7% | 0.067 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 152.5 | 179.7 | -160 | 176.5 | 0 | 0 | 0 | 110.3 | M72 V73 F75 Q89 L90 L96 | M72-I85 CarbonylContact C-O 3.54Å; M72-I85 VanDerWaalsContact CA-O 3.23Å; M72-I85 WeakPolarHBondContact CA-O 3.41Å; V73-I85 HydrophobicContact CG2-CG2 3.9Å; V73-I85 PolarHBondContact N-O 3Å; V73-I85 PolarHBondContact O-N 3.2Å; F75-I85 HydrophobicContact CB-CB 4.1Å; F75-I85 HydrophobicContact CB-CG2 3.43Å; F75-I85 VanDerWaalsContact CB-CG2 3.43Å; F75-I85 HydrophobicContact CG-CG2 4.09Å; I85-Q89 HydrophobicContact CD1-CB 3.72Å; I85-Q89 HydrophobicContact CG1-CB 3.82Å; I85-Q89 HydrophobicContact CG1-CG 4.37Å; I85-Q89 VanDerWaalsContact CG1-OE1 3.29Å; I85-L90 HydrophobicContact CD1-CD2 4.07Å; I85-L90 HydrophobicContact CG2-CD1 4.29Å; I85-L90 HydrophobicContact CG2-CD2 3.93Å; I85-L90 HydrophobicContact CG2-CG 4.06Å; I85-L96 HydrophobicContact CD1-CD1 3.52Å |
| 86 | F | 87 | Confident | 81.2 | Confident | 64 Ų | 64 | 58 Ų | 58 | 28% | 0.281 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 136.9 | 168.2 | -67.5 | -119 | 0 | 0 | 0 | 109.5 | D71 M72 A88 Q89 V120 | D71-F86 WeakPolarHBondContact O-CA 2.91Å; M72-F86 HydrophobicContact CE-CD2 4.21Å; M72-F86 HydrophobicContact CE-CE2 4.04Å; M72-F86 HydrophobicContact SD-CE2 4.43Å; F86-A88 PolarHBondContact O-N 2.78Å; F86-Q89 HydrophobicContact CB-CB 4.5Å; F86-Q89 HydrophobicContact CB-CG 4.06Å; F86-Q89 VanDerWaalsContact CD2-OE1 3.24Å; F86-Q89 WeakPolarHBondContact O-CB 3.5Å; F86-Q89 PolarHBondContact O-N 2.71Å; F86-V120 HydrophobicContact CZ-CG1 4.33Å |
| 87 | I | 84.4 | Confident | 81.6 | Confident | 46 Ų | 46 | 60 Ų | 60 | 24% | 0.236 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -55.9 | -39.2 | 174.3 | -63.9 | 173.3 | 0 | 0 | 0 | 110.3 | V21 D71 V73 Q89 L90 H91 | V21-I87 HydrophobicContact CG1-CD1 4.26Å; D71-I87 PolarHBondContact O-N 2.87Å; V73-I87 HydrophobicContact CB-CG1 4.48Å; V73-I87 HydrophobicContact CG1-CD1 3.89Å; V73-I87 HydrophobicContact CG1-CG1 3.69Å; V73-I87 HydrophobicContact CG2-CG1 4.05Å; I87-Q89 PolarHBondContact O-N 2.97Å; I87-L90 VanDerWaalsContact O-CB 3.3Å; I87-L90 WeakPolarHBondContact O-CB 3.42Å; I87-L90 PolarHBondContact O-N 3.3Å; I87-H91 PolarHBondContact O-CD2 2.71Å |
| 88 | A | 81.5 | Confident | 82.2 | Confident | 69 Ų | 69 | 63.6 Ų | 63.6 | 57% | 0.57 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -55.9 | -35.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | F86 L90 H91 | F86-A88 PolarHBondContact O-N 2.78Å; A88-L90 VanDerWaalsContact C-N 3.27Å; A88-L90 PolarHBondContact O-N 2.84Å; A88-H91 PolarHBondContact O-N 2.81Å |
| 89 | Q | 81.5 | Confident | 82.8 | Confident | 50 Ų | 50 | 59.9 Ų | 59.9 | 23% | 0.234 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -70.3 | -24.1 | 177.6 | -70.2 | 175.2 | -86 | 0 | 0 | 112.5 | I85 F86 I87 H91 D92 | I85-Q89 HydrophobicContact CD1-CB 3.72Å; I85-Q89 HydrophobicContact CG1-CB 3.82Å; I85-Q89 HydrophobicContact CG1-CG 4.37Å; I85-Q89 VanDerWaalsContact CG1-OE1 3.29Å; F86-Q89 HydrophobicContact CB-CB 4.5Å; F86-Q89 HydrophobicContact CB-CG 4.06Å; F86-Q89 VanDerWaalsContact CD2-OE1 3.24Å; F86-Q89 WeakPolarHBondContact O-CB 3.5Å; F86-Q89 PolarHBondContact O-N 2.71Å; I87-Q89 PolarHBondContact O-N 2.97Å; Q89-H91 PolarHBondContact O-N 2.03Å; Q89-D92 PolarHBondContact O-N 3.11Å |
| 90 | L | 82.2 | Confident | 83.5 | Confident | 63 Ų | 63 | 60.5 Ų | 60.5 | 33% | 0.33 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -70.3 | -20.4 | 175.8 | -60.9 | 174.4 | 0 | 0 | 0 | 112.3 | V73 F75 I85 I87 A88 L96 | V73-L90 HydrophobicContact CG2-CD1 3.81Å; F75-L90 HydrophobicContact CD2-CD2 3.71Å; F75-L90 HydrophobicContact CE2-CD2 3.9Å; F75-L90 HydrophobicContact CG-CD2 4.3Å; I85-L90 HydrophobicContact CD1-CD2 4.07Å; I85-L90 HydrophobicContact CG2-CD1 4.29Å; I85-L90 HydrophobicContact CG2-CD2 3.93Å; I85-L90 HydrophobicContact CG2-CG 4.06Å; I87-L90 VanDerWaalsContact O-CB 3.3Å; I87-L90 WeakPolarHBondContact O-CB 3.42Å; I87-L90 PolarHBondContact O-N 3.3Å; A88-L90 VanDerWaalsContact C-N 3.27Å; A88-L90 PolarHBondContact O-N 2.84Å; L90-L96 HydrophobicContact CD2-CD2 4.05Å |
| 91 | H | 84.8 | Confident | 84.1 | Confident | 159 Ų | 159 | 66.2 Ų | 66.2 | 74% | 0.736 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -14 | 176.6 | -66.4 | -70.7 | 0 | 0 | 0 | 113.3 | I87 A88 Q89 | I87-H91 PolarHBondContact O-CD2 2.71Å; A88-H91 PolarHBondContact O-N 2.81Å; Q89-H91 PolarHBondContact O-N 2.03Å |
| 92 | D | 87.1 | Confident | 84.4 | Confident | 71 Ų | 71 | 68.4 Ų | 68.4 | 38% | 0.38 | 35% | 0.353 | S | S | . | . | trans | -106.4 | 80.9 | 176.2 | -174 | -13.9 | 0 | 0 | 0 | 109.4 | Q89 E94 K95 L96 | Q89-D92 PolarHBondContact O-N 3.11Å; D92-E94 VanDerWaalsContact C-N 3.29Å; D92-E94 PolarHBondContact O-N 2.97Å; D92-K95 HydrophobicContact CB-CB 4.19Å; D92-K95 PolarHBondContact O-N 3.41Å; D92-K95 VanDerWaalsContact OD1-CB 3.3Å; D92-K95 WeakPolarHBondContact OD1-CB 2.99Å; D92-K95 PolarHBondContact OD1-N 3Å; D92-K95 VanDerWaalsContact OD1-N 3.11Å; D92-K95 VanDerWaalsContact OD2-CB 3.29Å; D92-K95 WeakPolarHBondContact OD2-CB 3.5Å; D92-K95 WeakPolarHBondContact OD2-CD 3.42Å; D92-L96 WeakPolarHBondContact O-CB 3.45Å; D92-L96 PolarHBondContact O-N 3.41Å | ||
| 93 | A | 86.5 | Confident | 84.2 | Confident | 61 Ų | 61 | 70.8 Ų | 70.8 | 50% | 0.504 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.6 | -34.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | N97 | A93-N97 WeakPolarHBondContact O-CB 3.41Å; A93-N97 PolarHBondContact O-N 2.76Å; A93-N97 PolarHBondContact O-ND2 3.34Å; A93-N97 VanDerWaalsContact O-ND2 3.12Å |
| 94 | E | 88.3 | Confident | 83.8 | Confident | 165 Ų | 165 | 72.1 Ų | 72.1 | 77% | 0.771 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -64.8 | -51.4 | 179 | -174.9 | 176.3 | -176.8 | 0 | 0 | 110.5 | D92 L96 N97 E98 | D92-E94 VanDerWaalsContact C-N 3.29Å; D92-E94 PolarHBondContact O-N 2.97Å; E94-L96 VanDerWaalsContact C-N 3.34Å; E94-L96 PolarHBondContact O-N 2.55Å; E94-N97 PolarHBondContact O-N 2.89Å; E94-E98 PolarHBondContact O-N 3.31Å |
| 95 | K | 87 | Confident | 83.5 | Confident | 102 Ų | 102 | 77.6 Ų | 77.6 | 44% | 0.443 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.3 | -39.2 | 177.3 | -172 | 175.4 | -175.8 | 173.4 | 0 | 112.4 | D92 N97 E98 Q99 | D92-K95 HydrophobicContact CB-CB 4.19Å; D92-K95 PolarHBondContact O-N 3.41Å; D92-K95 VanDerWaalsContact OD1-CB 3.3Å; D92-K95 WeakPolarHBondContact OD1-CB 2.99Å; D92-K95 PolarHBondContact OD1-N 3Å; D92-K95 VanDerWaalsContact OD1-N 3.11Å; D92-K95 VanDerWaalsContact OD2-CB 3.29Å; D92-K95 WeakPolarHBondContact OD2-CB 3.5Å; D92-K95 WeakPolarHBondContact OD2-CD 3.42Å; K95-N97 VanDerWaalsContact C-N 3.34Å; K95-E98 PolarHBondContact O-N 3.23Å; K95-Q99 VanDerWaalsContact O-CG 3.3Å; K95-Q99 WeakPolarHBondContact O-CG 3.2Å; K95-Q99 PolarHBondContact O-N 3.24Å |
| 96 | L | 85.7 | Confident | 83.3 | Confident | 22 Ų | 22 | 81.4 Ų | 81.4 | 12% | 0.115 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -59.7 | -46.4 | 175.7 | 178.8 | 60.8 | 0 | 0 | 0 | 111 | F75 I85 L90 D92 E94 E98 Q99 I100 | F75-L96 HydrophobicContact CE1-CD1 4.35Å; F75-L96 HydrophobicContact CZ-CD2 4.32Å; I85-L96 HydrophobicContact CD1-CD1 3.52Å; L90-L96 HydrophobicContact CD2-CD2 4.05Å; D92-L96 WeakPolarHBondContact O-CB 3.45Å; D92-L96 PolarHBondContact O-N 3.41Å; E94-L96 VanDerWaalsContact C-N 3.34Å; E94-L96 PolarHBondContact O-N 2.55Å; L96-E98 VanDerWaalsContact C-N 3.34Å; L96-E98 PolarHBondContact O-N 3.21Å; L96-Q99 PolarHBondContact O-N 3.38Å; L96-I100 HydrophobicContact CD1-CD1 3.96Å; L96-I100 HydrophobicContact CD1-CG1 4.23Å; L96-I100 HydrophobicContact CG-CD1 3.86Å; L96-I100 HydrophobicContact CG-CG1 4.49Å; L96-I100 VanDerWaalsContact O-CG1 3.32Å; L96-I100 WeakPolarHBondContact O-CG1 3.26Å; L96-I100 PolarHBondContact O-N 2.61Å |
| 97 | N | 86.4 | Confident | 82.7 | Confident | 106 Ų | 106 | 81.2 Ų | 81.2 | 57% | 0.567 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -61.9 | -41.5 | 177.7 | -74.8 | -27.9 | 0 | 0 | 0 | 111.9 | A93 E94 K95 Q99 I100 K101 | A93-N97 WeakPolarHBondContact O-CB 3.41Å; A93-N97 PolarHBondContact O-N 2.76Å; A93-N97 PolarHBondContact O-ND2 3.34Å; A93-N97 VanDerWaalsContact O-ND2 3.12Å; E94-N97 PolarHBondContact O-N 2.89Å; K95-N97 VanDerWaalsContact C-N 3.34Å; N97-Q99 VanDerWaalsContact C-N 3.34Å; N97-Q99 PolarHBondContact O-N 2.87Å; N97-I100 PolarHBondContact O-N 3.18Å; N97-K101 WeakPolarHBondContact O-CB 3.44Å; N97-K101 PolarHBondContact O-N 1.99Å |
| 98 | E | 86.9 | Confident | 82.4 | Confident | 100 Ų | 100 | 83.4 Ų | 83.4 | 47% | 0.467 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -60.8 | -43.8 | 175.3 | -165.2 | -162.3 | 153.5 | 0 | 0 | 111.7 | E94 K95 L96 K101 K102 | E94-E98 PolarHBondContact O-N 3.31Å; K95-E98 PolarHBondContact O-N 3.23Å; L96-E98 VanDerWaalsContact C-N 3.34Å; L96-E98 PolarHBondContact O-N 3.21Å; E98-K101 PolarHBondContact O-N 2.87Å; E98-K102 WeakPolarHBondContact O-CG 3.2Å; E98-K102 PolarHBondContact O-N 3.38Å; E98-K102 WeakPolarHBondContact OE1-CE 3.11Å; E98-K102 IonicContact OE1-NZ 3.01Å; E98-K102 PolarHBondContact OE1-NZ 3.22Å |
| 99 | Q | 84.2 | Confident | 82 | Confident | 36 Ų | 36 | 84 Ų | 84 | 17% | 0.168 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -65.6 | -42.9 | 178.2 | -72.7 | -178.8 | -20.9 | 0 | 0 | 112.3 | K95 L96 N97 K101 K102 L103 V110 | K95-Q99 VanDerWaalsContact O-CG 3.3Å; K95-Q99 WeakPolarHBondContact O-CG 3.2Å; K95-Q99 PolarHBondContact O-N 3.24Å; L96-Q99 PolarHBondContact O-N 3.38Å; N97-Q99 VanDerWaalsContact C-N 3.34Å; N97-Q99 PolarHBondContact O-N 2.87Å; Q99-K101 VanDerWaalsContact C-N 3.34Å; Q99-K102 PolarHBondContact O-N 3.08Å; Q99-L103 WeakPolarHBondContact O-CB 3.34Å; Q99-L103 PolarHBondContact O-N 3.4Å; Q99-V110 HydrophobicContact CB-CG1 3.95Å; Q99-V110 HydrophobicContact CB-CG2 4.02Å; Q99-V110 HydrophobicContact CG-CG1 3.66Å; Q99-V110 WeakPolarHBondContact O-CG2 3.39Å |
| 100 | I | 81.8 | Confident | 81.4 | Confident | 39 Ų | 39 | 84.8 Ų | 84.8 | 20% | 0.2 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -63.3 | -42.8 | 176.2 | -69.6 | 171.1 | 0 | 0 | 0 | 110.3 | F75 V77 L96 N97 L103 L104 | F75-I100 HydrophobicContact CE1-CD1 4.01Å; F75-I100 HydrophobicContact CZ-CD1 4.17Å; V77-I100 HydrophobicContact CG1-CG1 4.35Å; V77-I100 HydrophobicContact CG1-CG2 4.18Å; L96-I100 HydrophobicContact CD1-CD1 3.96Å; L96-I100 HydrophobicContact CD1-CG1 4.23Å; L96-I100 HydrophobicContact CG-CD1 3.86Å; L96-I100 HydrophobicContact CG-CG1 4.49Å; L96-I100 VanDerWaalsContact O-CG1 3.32Å; L96-I100 WeakPolarHBondContact O-CG1 3.26Å; L96-I100 PolarHBondContact O-N 2.61Å; N97-I100 PolarHBondContact O-N 3.18Å; I100-L103 PolarHBondContact O-N 3.39Å; I100-L104 HydrophobicContact CG2-CD1 3.66Å; I100-L104 HydrophobicContact CG2-CG 4.15Å; I100-L104 WeakPolarHBondContact O-CB 3.47Å; I100-L104 PolarHBondContact O-N 2.83Å |
| 101 | K | 83.4 | Confident | 80.9 | Confident | 125 Ų | 125 | 85.3 Ų | 85.3 | 54% | 0.543 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59.9 | -49.7 | 177.1 | -170.7 | -174.8 | 174.7 | -177.9 | 0 | 111.5 | N97 E98 Q99 L103 L104 L105 D106 | N97-K101 WeakPolarHBondContact O-CB 3.44Å; N97-K101 PolarHBondContact O-N 1.99Å; E98-K101 PolarHBondContact O-N 2.87Å; Q99-K101 VanDerWaalsContact C-N 3.34Å; K101-L103 VanDerWaalsContact C-N 3.28Å; K101-L103 PolarHBondContact O-N 3.45Å; K101-L104 PolarHBondContact O-N 3.35Å; K101-L105 HydrophobicContact CD-CD1 4.4Å; K101-L105 HydrophobicContact CG-CB 4.42Å; K101-L105 HydrophobicContact CG-CD1 3.62Å; K101-L105 HydrophobicContact CG-CG 4.12Å; K101-L105 WeakPolarHBondContact O-CA 2.83Å; K101-L105 VanDerWaalsContact O-CB 3.3Å; K101-L105 WeakPolarHBondContact O-CB 3.08Å; K101-L105 PolarHBondContact O-N 3.26Å; K101-D106 PolarHBondContact O-N 3.46Å |
| 102 | K | 80.5 | Confident | 80.4 | Confident | 82 Ų | 82 | 84.4 Ų | 84.4 | 36% | 0.357 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -56.5 | -42.4 | 176.5 | -78.1 | 172.4 | 169.8 | 169.5 | 0 | 112.2 | E98 Q99 D106 G107 I108 | E98-K102 WeakPolarHBondContact O-CG 3.2Å; E98-K102 PolarHBondContact O-N 3.38Å; E98-K102 WeakPolarHBondContact OE1-CE 3.11Å; E98-K102 IonicContact OE1-NZ 3.01Å; E98-K102 PolarHBondContact OE1-NZ 3.22Å; Q99-K102 PolarHBondContact O-N 3.08Å; K102-D106 CarbonylContact O-C 3.49Å; K102-D106 WeakPolarHBondContact O-CB 3.44Å; K102-D106 PolarHBondContact O-N 2.99Å; K102-G107 PolarHBondContact O-N 3.33Å; K102-G107 VanDerWaalsContact O-N 3.11Å; K102-I108 PolarHBondContact O-N 2.68Å |
| 103 | L | 76.6 | Confident | 80.1 | Confident | 53 Ų | 53 | 85 Ų | 85 | 28% | 0.277 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -72.1 | -48.8 | -179 | -174.9 | 60.6 | 0 | 0 | 0 | 112.8 | V77 L81 Q99 I100 K101 G107 V110 | V77-L103 HydrophobicContact CG1-CD2 4.48Å; L81-L103 HydrophobicContact CD2-CD2 3.89Å; L81-L103 HydrophobicContact CD2-CG 4.31Å; Q99-L103 WeakPolarHBondContact O-CB 3.34Å; Q99-L103 PolarHBondContact O-N 3.4Å; I100-L103 PolarHBondContact O-N 3.39Å; K101-L103 VanDerWaalsContact C-N 3.28Å; K101-L103 PolarHBondContact O-N 3.45Å; L103-G107 WeakPolarHBondContact O-CA 3.46Å; L103-V110 HydrophobicContact CB-CG2 4.07Å |
| 104 | L | 74.5 | Confident | 80.1 | Confident | 76 Ų | 76 | 90.1 Ų | 90.1 | 40% | 0.398 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -84.4 | -36.8 | -171.6 | -69 | -175.4 | 0 | 0 | 0 | 113.6 | V77 L81 I100 K101 | V77-L104 HydrophobicContact CG1-CD1 3.94Å; V77-L104 HydrophobicContact CG1-CD2 4Å; V77-L104 HydrophobicContact CG1-CG 3.97Å; L81-L104 HydrophobicContact CD2-CD2 3.76Å; I100-L104 HydrophobicContact CG2-CD1 3.66Å; I100-L104 HydrophobicContact CG2-CG 4.15Å; I100-L104 WeakPolarHBondContact O-CB 3.47Å; I100-L104 PolarHBondContact O-N 2.83Å; K101-L104 PolarHBondContact O-N 3.35Å |
| 105 | L | 78.4 | Confident | 80.1 | Confident | 127 Ų | 127 | 85.4 Ų | 85.4 | 67% | 0.665 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -44.6 | -176.9 | -56.1 | -171.1 | 0 | 0 | 0 | 111.7 | K101 | K101-L105 HydrophobicContact CD-CD1 4.4Å; K101-L105 HydrophobicContact CG-CB 4.42Å; K101-L105 HydrophobicContact CG-CD1 3.62Å; K101-L105 HydrophobicContact CG-CG 4.12Å; K101-L105 WeakPolarHBondContact O-CA 2.83Å; K101-L105 VanDerWaalsContact O-CB 3.3Å; K101-L105 WeakPolarHBondContact O-CB 3.08Å; K101-L105 PolarHBondContact O-N 3.26Å |
| 106 | D | 79.8 | Confident | 79.9 | Confident | 93 Ų | 93 | 82.4 Ų | 82.4 | 50% | 0.497 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -93.5 | -11.6 | -173.5 | -49 | -36.1 | 0 | 0 | 0 | 112.5 | K101 K102 I108 | K101-D106 PolarHBondContact O-N 3.46Å; K102-D106 CarbonylContact O-C 3.49Å; K102-D106 WeakPolarHBondContact O-CB 3.44Å; K102-D106 PolarHBondContact O-N 2.99Å; D106-I108 HydrophobicContact CB-CD1 3.81Å; D106-I108 HydrophobicContact CB-CG1 3.87Å; D106-I108 PolarHBondContact O-N 2.98Å |
| 107 | G | 75.9 | Confident | 79.9 | Confident | 60 Ų | 60 | 83.9 Ų | 83.9 | 62% | 0.619 | 45% | 0.451 | S | S | * | . | trans | 67 | 17.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | K102 L103 | K102-G107 PolarHBondContact O-N 3.33Å; K102-G107 VanDerWaalsContact O-N 3.11Å; L103-G107 WeakPolarHBondContact O-CA 3.46Å | ||
| 108 | I | 77.2 | Confident | 80.1 | Confident | 92 Ų | 92 | 82 Ų | 82 | 47% | 0.472 | 44% | 0.442 | S | S | . | . | trans | -88.4 | 124.9 | -176 | -60 | 173.8 | 0 | 0 | 0 | 109.3 | K102 D106 V110 | K102-I108 PolarHBondContact O-N 2.68Å; D106-I108 HydrophobicContact CB-CD1 3.81Å; D106-I108 HydrophobicContact CB-CG1 3.87Å; D106-I108 PolarHBondContact O-N 2.98Å; I108-V110 PolarHBondContact O-N 3.17Å | ||
| 109 | P | 72.8 | Confident | 80.2 | Confident | 83 Ų | 83 | 81.9 Ų | 81.9 | 54% | 0.539 | 44% | 0.437 | S | S | . | . | trans | -62.1 | 128.4 | 174.8 | -16.1 | 28.1 | 0 | 0 | 0 | 110.8 | N111 | P109-N111 VanDerWaalsContact C-N 3.27Å; P109-N111 PolarHBondContact O-N 3.03Å | ||
| 110 | V | 70.2 | Confident | 80.4 | Confident | 66 Ų | 66 | 80.6 Ų | 80.6 | 40% | 0.4 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -70.5 | -28.2 | 177.4 | -178.8 | 0 | 0 | 0 | 0 | 111.6 | Q99 L103 I108 | Q99-V110 HydrophobicContact CB-CG1 3.95Å; Q99-V110 HydrophobicContact CB-CG2 4.02Å; Q99-V110 HydrophobicContact CG-CG1 3.66Å; Q99-V110 WeakPolarHBondContact O-CG2 3.39Å; L103-V110 HydrophobicContact CB-CG2 4.07Å; I108-V110 PolarHBondContact O-N 3.17Å |
| 111 | N | 70.9 | Confident | 80.7 | Confident | 74 Ų | 74 | 83.1 Ų | 83.1 | 40% | 0.396 | 44% | 0.439 | S | S | . | . | trans | -115.2 | 107.5 | 169.5 | -170.8 | -14.1 | 0 | 0 | 0 | 108.5 | P109 H113 P116 | P109-N111 VanDerWaalsContact C-N 3.27Å; P109-N111 PolarHBondContact O-N 3.03Å; N111-H113 VanDerWaalsContact OD1-CB 3.3Å; N111-H113 WeakPolarHBondContact OD1-CB 3.34Å; N111-H113 PolarHBondContact OD1-N 3.44Å; N111-H113 VanDerWaalsContact OD1-N 3.11Å; N111-P116 WeakPolarHBondContact ND2-CB 3.24Å | ||
| 112 | N | 74.5 | Confident | 81.1 | Confident | 140 Ų | 140 | 83.2 Ų | 83.2 | 75% | 0.749 | 44% | 0.441 | S | S | * | . | trans | -99.6 | 12.3 | -179.3 | 65.6 | -16.3 | 0 | 0 | 0 | 112.9 | ||||
| 113 | H | 81.5 | Confident | 81.4 | Confident | 82 Ų | 82 | 83.2 Ų | 83.2 | 38% | 0.38 | 44% | 0.443 | S | S | . | . | trans | -66.2 | 138.9 | 174.9 | -161.1 | -88.7 | 0 | 0 | 0 | 110.2 | N111 D115 P116 Y119 | N111-H113 VanDerWaalsContact OD1-CB 3.3Å; N111-H113 WeakPolarHBondContact OD1-CB 3.34Å; N111-H113 PolarHBondContact OD1-N 3.44Å; N111-H113 VanDerWaalsContact OD1-N 3.11Å; H113-D115 VanDerWaalsContact ND1-C 3.28Å; H113-D115 PolarHBondContact ND1-N 3.39Å; H113-D115 VanDerWaalsContact ND1-N 3.15Å; H113-D115 PolarHBondContact ND1-O 3.33Å; H113-D115 PolarHBondContact O-N 3.32Å; H113-P116 WeakPolarHBondContact O-CD 3.45Å; H113-Y119 AromaticContact CD2-CD2 3.61Å; H113-Y119 AromaticContact CD2-CG 3.83Å; H113-Y119 AromaticContact CE1-CD2 3.93Å; H113-Y119 AromaticContact CG-CG 3.98Å; H113-Y119 AromaticContact NE2-CD2 3.42Å; H113-Y119 WeakPolarHBondContact NE2-CD2 3.29Å; H113-Y119 AromaticContact NE2-CG 3.92Å | ||
| 114 | N | 85.7 | Confident | 81.8 | Confident | 169 Ų | 169 | 81.5 Ų | 81.5 | 90% | 0.904 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -60.3 | -33.3 | -179.7 | -69 | -19.1 | 0 | 0 | 0 | 112.5 | ||
| 115 | D | 88.7 | Confident | 82.4 | Confident | 66 Ų | 66 | 80.3 Ų | 80.3 | 35% | 0.353 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -130.7 | 85.8 | 172.3 | -171.9 | -19 | 0 | 0 | 0 | 110 | H113 I117 N118 Y119 | H113-D115 VanDerWaalsContact ND1-C 3.28Å; H113-D115 PolarHBondContact ND1-N 3.39Å; H113-D115 VanDerWaalsContact ND1-N 3.15Å; H113-D115 PolarHBondContact ND1-O 3.33Å; H113-D115 PolarHBondContact O-N 3.32Å; D115-I117 PolarHBondContact O-N 3.49Å; D115-I117 PolarHBondContact OD1-N 3.18Å; D115-N118 PolarHBondContact OD1-N 3.45Å; D115-N118 WeakPolarHBondContact OD2-CB 3.26Å; D115-N118 PolarHBondContact OD2-ND2 2.92Å; D115-Y119 VanDerWaalsContact O-CB 3.24Å; D115-Y119 WeakPolarHBondContact O-CB 3.32Å; D115-Y119 PolarHBondContact O-N 3.11Å; D115-Y119 VanDerWaalsContact O-N 3.12Å |
| 116 | P | 81.9 | Confident | 82.9 | Confident | 39 Ų | 39 | 80 Ų | 80 | 25% | 0.253 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -70.3 | -23.5 | -173.9 | 28 | -33.7 | 0 | 0 | 0 | 112.4 | N111 H113 V120 | N111-P116 WeakPolarHBondContact ND2-CB 3.24Å; H113-P116 WeakPolarHBondContact O-CD 3.45Å; P116-V120 VanDerWaalsContact O-CG2 3.24Å; P116-V120 WeakPolarHBondContact O-CG2 3.3Å; P116-V120 PolarHBondContact O-N 3.4Å |
| 117 | I | 86.7 | Confident | 83.1 | Confident | 53 Ų | 53 | 79.5 Ų | 79.5 | 27% | 0.272 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -75.7 | -53.9 | -178.4 | -62.4 | 173 | 0 | 0 | 0 | 109.5 | R66 Y67 D115 Y119 V120 R121 | R66-I117 HydrophobicContact CG-CD1 3.83Å; R66-I117 HydrophobicContact CG-CG1 4.03Å; R66-I117 HydrophobicContact CG-CG2 4.27Å; R66-I117 WeakPolarHBondContact O-CG2 3.02Å; Y67-I117 HydrophobicContact CE1-CB 4.37Å; Y67-I117 HydrophobicContact CE1-CG1 4Å; D115-I117 PolarHBondContact O-N 3.49Å; D115-I117 PolarHBondContact OD1-N 3.18Å; I117-Y119 VanDerWaalsContact C-N 3.33Å; I117-Y119 PolarHBondContact O-N 3Å; I117-V120 PolarHBondContact O-N 3.36Å; I117-R121 WeakPolarHBondContact O-CG 3.38Å; I117-R121 PolarHBondContact O-N 2.84Å |
| 118 | N | 90.4 | Very high | 83.4 | Confident | 68 Ų | 68 | 78.1 Ų | 78.1 | 36% | 0.364 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -68.5 | -35.4 | -178.9 | -71.9 | -33.2 | 0 | 0 | 0 | 111.7 | D115 V120 R121 E122 | D115-N118 PolarHBondContact OD1-N 3.45Å; D115-N118 WeakPolarHBondContact OD2-CB 3.26Å; D115-N118 PolarHBondContact OD2-ND2 2.92Å; N118-V120 PolarHBondContact O-N 2.91Å; N118-R121 PolarHBondContact O-N 3.27Å; N118-R121 VanDerWaalsContact O-N 3.17Å; N118-E122 WeakPolarHBondContact O-CB 3.37Å; N118-E122 WeakPolarHBondContact O-CG 2.95Å; N118-E122 PolarHBondContact O-N 3.37Å |
| 119 | Y | 89.7 | Confident | 83.9 | Confident | 96 Ų | 96 | 82 Ų | 82 | 38% | 0.376 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -54.5 | -50.7 | 172.2 | 178.4 | -100.5 | 0 | 0 | 0 | 112.2 | H113 D115 I117 R121 E122 Q123 | H113-Y119 AromaticContact CD2-CD2 3.61Å; H113-Y119 AromaticContact CD2-CG 3.83Å; H113-Y119 AromaticContact CE1-CD2 3.93Å; H113-Y119 AromaticContact CG-CG 3.98Å; H113-Y119 AromaticContact NE2-CD2 3.42Å; H113-Y119 WeakPolarHBondContact NE2-CD2 3.29Å; H113-Y119 AromaticContact NE2-CG 3.92Å; D115-Y119 VanDerWaalsContact O-CB 3.24Å; D115-Y119 WeakPolarHBondContact O-CB 3.32Å; D115-Y119 PolarHBondContact O-N 3.11Å; D115-Y119 VanDerWaalsContact O-N 3.12Å; I117-Y119 VanDerWaalsContact C-N 3.33Å; I117-Y119 PolarHBondContact O-N 3Å; Y119-R121 VanDerWaalsContact C-N 3.34Å; Y119-R121 PolarHBondContact O-N 2.97Å; Y119-E122 PolarHBondContact O-N 3.33Å; Y119-Q123 HydrophobicContact CD1-CG 4.4Å; Y119-Q123 HydrophobicContact CE1-CG 4Å; Y119-Q123 HydrophobicContact CE2-CG 4.2Å; Y119-Q123 WeakPolarHBondContact O-CG 3.24Å; Y119-Q123 PolarHBondContact O-N 3.11Å |
| 120 | V | 86.9 | Confident | 84.6 | Confident | 10 Ų | 10 | 83.9 Ų | 83.9 | 6% | 0.061 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -64 | -40.3 | 178.8 | 169.8 | 0 | 0 | 0 | 0 | 111.2 | Y67 R69 M72 F86 P116 I117 N118 Q123 T124 | Y67-V120 HydrophobicContact CD1-CB 3.79Å; Y67-V120 HydrophobicContact CD1-CG1 3.72Å; Y67-V120 HydrophobicContact CD1-CG2 4.22Å; Y67-V120 HydrophobicContact CE1-CB 4.29Å; Y67-V120 HydrophobicContact CE1-CG2 4.29Å; Y67-V120 HydrophobicContact CG-CG1 4.27Å; R69-V120 HydrophobicContact CG-CG1 4.34Å; M72-V120 HydrophobicContact SD-CG1 4.12Å; F86-V120 HydrophobicContact CZ-CG1 4.33Å; P116-V120 VanDerWaalsContact O-CG2 3.24Å; P116-V120 WeakPolarHBondContact O-CG2 3.3Å; P116-V120 PolarHBondContact O-N 3.4Å; I117-V120 PolarHBondContact O-N 3.36Å; N118-V120 PolarHBondContact O-N 2.91Å; V120-Q123 PolarHBondContact O-N 3.26Å; V120-T124 WeakPolarHBondContact O-CB 3.42Å; V120-T124 PolarHBondContact O-N 3.3Å; V120-T124 PolarHBondContact O-OG1 3.36Å |
| 121 | R | 89.4 | Confident | 85.2 | Confident | 92 Ų | 92 | 85.6 Ų | 85.6 | 35% | 0.347 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.4 | -43.3 | 177.1 | -72.4 | 173.4 | 174 | -166.3 | -5.9 | 112 | R66 I117 N118 Y119 T124 A125 | R66-R121 VanDerWaalsContact O-CZ 3.27Å; R66-R121 PolarHBondContact O-NE 2.9Å; R66-R121 PolarHBondContact O-NH2 3.12Å; I117-R121 WeakPolarHBondContact O-CG 3.38Å; I117-R121 PolarHBondContact O-N 2.84Å; N118-R121 PolarHBondContact O-N 3.27Å; N118-R121 VanDerWaalsContact O-N 3.17Å; Y119-R121 VanDerWaalsContact C-N 3.34Å; Y119-R121 PolarHBondContact O-N 2.97Å; R121-T124 WeakPolarHBondContact O-CB 3.32Å; R121-T124 PolarHBondContact O-N 3.23Å; R121-A125 PolarHBondContact O-N 3.45Å |
| 122 | E | 90.6 | Very high | 85.9 | Confident | 126 Ų | 126 | 89.2 Ų | 89.2 | 59% | 0.589 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -64.3 | -46.5 | 177 | -74.1 | 173.9 | -172.2 | 0 | 0 | 111.9 | N118 Y119 T124 A125 K126 | N118-E122 WeakPolarHBondContact O-CB 3.37Å; N118-E122 WeakPolarHBondContact O-CG 2.95Å; N118-E122 PolarHBondContact O-N 3.37Å; Y119-E122 PolarHBondContact O-N 3.33Å; E122-T124 PolarHBondContact O-N 3.31Å; E122-A125 PolarHBondContact O-N 3.15Å; E122-K126 WeakPolarHBondContact O-CB 3.3Å; E122-K126 PolarHBondContact O-N 3.46Å |
| 123 | Q | 87.7 | Confident | 86 | Confident | 83 Ų | 83 | 87.1 Ų | 87.1 | 39% | 0.388 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.3 | -37.2 | 175.2 | -66.6 | -51.2 | -44.3 | 0 | 0 | 111.5 | Y119 V120 K126 L127 | Y119-Q123 HydrophobicContact CD1-CG 4.4Å; Y119-Q123 HydrophobicContact CE1-CG 4Å; Y119-Q123 HydrophobicContact CE2-CG 4.2Å; Y119-Q123 WeakPolarHBondContact O-CG 3.24Å; Y119-Q123 PolarHBondContact O-N 3.11Å; V120-Q123 PolarHBondContact O-N 3.26Å; Q123-K126 PolarHBondContact O-N 3.33Å; Q123-L127 WeakPolarHBondContact O-CB 3.37Å; Q123-L127 PolarHBondContact O-N 2.85Å |
| 124 | T | 85 | Confident | 85.5 | Confident | 16 Ų | 16 | 89.6 Ų | 89.6 | 10% | 0.098 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -66.3 | -47.7 | 176.2 | -53.2 | 0 | 0 | 0 | 0 | 111.5 | R69 V120 R121 E122 K126 L127 L128 L135 | R69-T124 WeakPolarHBondContact CD-OG1 3.21Å; R69-T124 HydrophobicContact CG-CG2 3.99Å; R69-T124 WeakPolarHBondContact CG-OG1 3.41Å; V120-T124 WeakPolarHBondContact O-CB 3.42Å; V120-T124 PolarHBondContact O-N 3.3Å; V120-T124 PolarHBondContact O-OG1 3.36Å; R121-T124 WeakPolarHBondContact O-CB 3.32Å; R121-T124 PolarHBondContact O-N 3.23Å; E122-T124 PolarHBondContact O-N 3.31Å; T124-K126 VanDerWaalsContact C-N 3.28Å; T124-K126 PolarHBondContact O-N 2.98Å; T124-L127 PolarHBondContact O-N 3.12Å; T124-L128 HydrophobicContact CG2-CD1 3.91Å; T124-L128 HydrophobicContact CG2-CG 4.32Å; T124-L128 WeakPolarHBondContact O-CB 3.3Å; T124-L128 VanDerWaalsContact O-CG 3.23Å; T124-L128 WeakPolarHBondContact O-CG 3.48Å; T124-L128 PolarHBondContact O-N 2.88Å; T124-L135 HydrophobicContact CG2-CD2 4.34Å |
| 125 | A | 86.9 | Confident | 84.3 | Confident | 52 Ų | 52 | 85.4 Ų | 85.4 | 43% | 0.43 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -60.3 | -40.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | R121 E122 K129 | R121-A125 PolarHBondContact O-N 3.45Å; E122-A125 PolarHBondContact O-N 3.15Å; A125-K129 WeakPolarHBondContact O-CB 3.45Å; A125-K129 PolarHBondContact O-N 3.11Å |
| 126 | K | 88.7 | Confident | 82.7 | Confident | 120 Ų | 120 | 84.7 Ų | 84.7 | 52% | 0.522 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.1 | -51.3 | 175 | -175.3 | -178.9 | 174.2 | -173.4 | 0 | 111.7 | E122 Q123 T124 L128 K129 E130 | E122-K126 WeakPolarHBondContact O-CB 3.3Å; E122-K126 PolarHBondContact O-N 3.46Å; Q123-K126 PolarHBondContact O-N 3.33Å; T124-K126 VanDerWaalsContact C-N 3.28Å; T124-K126 PolarHBondContact O-N 2.98Å; K126-L128 VanDerWaalsContact C-N 3.33Å; K126-L128 PolarHBondContact O-N 3.33Å; K126-K129 WeakPolarHBondContact O-CB 3.38Å; K126-K129 PolarHBondContact O-N 3.3Å; K126-E130 WeakPolarHBondContact CE-OE1 3.42Å; K126-E130 WeakPolarHBondContact O-CG 3.35Å; K126-E130 PolarHBondContact O-N 3.35Å |
| 127 | L | 83.4 | Confident | 81 | Confident | 83 Ų | 83 | 88.2 Ų | 88.2 | 44% | 0.435 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.6 | -41.8 | 179.5 | -179.4 | 63.7 | 0 | 0 | 0 | 112 | Q123 T124 K129 E130 L131 | Q123-L127 WeakPolarHBondContact O-CB 3.37Å; Q123-L127 PolarHBondContact O-N 2.85Å; T124-L127 PolarHBondContact O-N 3.12Å; L127-K129 VanDerWaalsContact C-N 3.33Å; L127-K129 PolarHBondContact O-N 3.03Å; L127-E130 PolarHBondContact O-N 3.39Å; L127-L131 HydrophobicContact CD1-CD1 3.88Å; L127-L131 HydrophobicContact CD1-CG 4.17Å; L127-L131 HydrophobicContact CG-CD1 3.88Å; L127-L131 HydrophobicContact CG-CG 4.46Å; L127-L131 WeakPolarHBondContact O-CB 3.32Å; L127-L131 WeakPolarHBondContact O-CG 3.38Å; L127-L131 PolarHBondContact O-N 2.92Å |
| 128 | L | 83.5 | Confident | 79 | Confident | 30 Ų | 30 | 90 Ų | 90 | 16% | 0.157 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -64.1 | -39.2 | 177.6 | -72.9 | 174.2 | 0 | 0 | 0 | 112.2 | T124 K126 L131 N132 L133 L135 | T124-L128 HydrophobicContact CG2-CD1 3.91Å; T124-L128 HydrophobicContact CG2-CG 4.32Å; T124-L128 WeakPolarHBondContact O-CB 3.3Å; T124-L128 VanDerWaalsContact O-CG 3.23Å; T124-L128 WeakPolarHBondContact O-CG 3.48Å; T124-L128 PolarHBondContact O-N 2.88Å; K126-L128 VanDerWaalsContact C-N 3.33Å; K126-L128 PolarHBondContact O-N 3.33Å; L128-L131 CarbonylContact O-C 3.55Å; L128-L131 PolarHBondContact O-N 3.46Å; L128-N132 PolarHBondContact O-N 3.45Å; L128-L133 HydrophobicContact CD2-CB 3.53Å; L128-L133 HydrophobicContact CD2-CD1 4.25Å; L128-L133 PolarHBondContact O-N 2.99Å; L128-L135 HydrophobicContact CD1-CB 4.43Å; L128-L135 HydrophobicContact CD1-CD1 4.28Å; L128-L135 HydrophobicContact CD1-CD2 3.36Å; L128-L135 HydrophobicContact CD1-CG 3.37Å |
| 129 | K | 87.7 | Confident | 76.6 | Confident | 173 Ų | 173 | 93.6 Ų | 93.6 | 75% | 0.752 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63 | -42.7 | 173.5 | -173.7 | -178.8 | 179.3 | -178.2 | 0 | 111.6 | A125 K126 L127 L131 N132 | A125-K129 WeakPolarHBondContact O-CB 3.45Å; A125-K129 PolarHBondContact O-N 3.11Å; K126-K129 WeakPolarHBondContact O-CB 3.38Å; K126-K129 PolarHBondContact O-N 3.3Å; L127-K129 VanDerWaalsContact C-N 3.33Å; L127-K129 PolarHBondContact O-N 3.03Å; K129-L131 VanDerWaalsContact C-N 3.32Å; K129-L131 PolarHBondContact O-N 3.41Å; K129-N132 PolarHBondContact O-N 3.48Å |
| 130 | E | 87 | Confident | 74 | Confident | 124 Ų | 124 | 97.5 Ų | 97.5 | 58% | 0.579 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65 | -35.4 | 176.9 | -71.3 | 172.2 | -175.4 | 0 | 0 | 112.3 | K126 L127 | K126-E130 WeakPolarHBondContact CE-OE1 3.42Å; K126-E130 WeakPolarHBondContact O-CG 3.35Å; K126-E130 PolarHBondContact O-N 3.35Å; L127-E130 PolarHBondContact O-N 3.39Å |
| 131 | L | 83.4 | Confident | 71.5 | Confident | 101 Ų | 101 | 101.6 Ų | 101.6 | 53% | 0.529 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -0.7 | 179.2 | -64.9 | 176.1 | 0 | 0 | 0 | 114.3 | L127 L128 K129 L133 | L127-L131 HydrophobicContact CD1-CD1 3.88Å; L127-L131 HydrophobicContact CD1-CG 4.17Å; L127-L131 HydrophobicContact CG-CD1 3.88Å; L127-L131 HydrophobicContact CG-CG 4.46Å; L127-L131 WeakPolarHBondContact O-CB 3.32Å; L127-L131 WeakPolarHBondContact O-CG 3.38Å; L127-L131 PolarHBondContact O-N 2.92Å; L128-L131 CarbonylContact O-C 3.55Å; L128-L131 PolarHBondContact O-N 3.46Å; K129-L131 VanDerWaalsContact C-N 3.32Å; K129-L131 PolarHBondContact O-N 3.41Å; L131-L133 VanDerWaalsContact C-N 3.28Å; L131-L133 HydrophobicContact CB-CD1 3.91Å; L131-L133 HydrophobicContact CB-CG 3.96Å; L131-L133 HydrophobicContact CD1-CD1 4.15Å; L131-L133 PolarHBondContact O-N 3.05Å |
| 132 | N | 85 | Confident | 68.6 | Low | 150 Ų | 150 | 105.8 Ų | 105.8 | 80% | 0.802 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 52.1 | 42.3 | -171.8 | -62.8 | -54.8 | 0 | 0 | 0 | 113.5 | L128 K129 | L128-N132 PolarHBondContact O-N 3.45Å; K129-N132 PolarHBondContact O-N 3.48Å |
| 133 | L | 77.1 | Confident | 66 | Low | 97 Ų | 97 | 106.1 Ų | 106.1 | 51% | 0.508 | 57% | 0.566 | S | S | . | * | trans | -110 | 150.8 | 177.4 | -65.3 | 175.9 | 0 | 0 | 0 | 110.7 | L128 L131 | L128-L133 HydrophobicContact CD2-CB 3.53Å; L128-L133 HydrophobicContact CD2-CD1 4.25Å; L128-L133 PolarHBondContact O-N 2.99Å; L131-L133 VanDerWaalsContact C-N 3.28Å; L131-L133 HydrophobicContact CB-CD1 3.91Å; L131-L133 HydrophobicContact CB-CG 3.96Å; L131-L133 HydrophobicContact CD1-CD1 4.15Å; L131-L133 PolarHBondContact O-N 3.05Å | ||
| 134 | T | 70.6 | Confident | 63.2 | Low | 133 Ų | 133 | 107 Ų | 107 | 82% | 0.816 | 58% | 0.582 | S | S | * | * | trans | -105.3 | 141.1 | 176.1 | 50.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 135 | L | 59.7 | Low | 60.8 | Low | 81 Ų | 81 | 110.1 Ų | 110.1 | 42% | 0.424 | 61% | 0.609 | S | S | . | * | P | Polyproline II helix | trans | -62 | 144.7 | 166.6 | -76.2 | 167.1 | 0 | 0 | 0 | 109.9 | L68 T124 L128 S137 | L68-L135 WeakPolarHBondContact O-CD2 3.3Å; T124-L135 HydrophobicContact CG2-CD2 4.34Å; L128-L135 HydrophobicContact CD1-CB 4.43Å; L128-L135 HydrophobicContact CD1-CD1 4.28Å; L128-L135 HydrophobicContact CD1-CD2 3.36Å; L128-L135 HydrophobicContact CD1-CG 3.37Å; L135-S137 PolarHBondContact O-N 3.21Å |
| 136 | P | 54.9 | Low | 58.2 | Low | 52 Ų | 52 | 113.5 Ų | 113.5 | 34% | 0.338 | 63% | 0.627 | S | S | . | * | P | Polyproline II helix | trans | -60.2 | 130.8 | 164.8 | -13.6 | 25.8 | 0 | 0 | 0 | 109.7 | H138 | P136-H138 PolarHBondContact O-N 3.21Š|
| 137 | S | 47.5 | Very low | 55.5 | Low | 112 Ų | 112 | 112.7 Ų | 112.7 | 78% | 0.783 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -63 | 123 | 173.6 | 56.5 | 0 | 0 | 0 | 0 | 110.2 | L135 | L135-S137 PolarHBondContact O-N 3.21Š|
| 138 | H | 44.2 | Very low | 53.2 | Low | 91 Ų | 91 | 114.8 Ų | 114.8 | 42% | 0.421 | 66% | 0.658 | S | S | . | * | P | Polyproline II helix | trans | -83.1 | 118.1 | 170.8 | -155.5 | -56.5 | 0 | 0 | 0 | 108.4 | P136 Q140 | P136-H138 PolarHBondContact O-N 3.21Å; H138-Q140 PolarHBondContact O-N 3.46Å |
| 139 | N | 40.1 | Very low | 50.8 | Low | 143 Ų | 143 | 116.5 Ų | 116.5 | 77% | 0.765 | 68% | 0.676 | S | S | * | * | trans | -70.5 | 110 | 155.2 | -80.5 | -8 | 0 | 0 | 0 | 105.6 | S141 | N139-S141 VanDerWaalsContact C-N 3.28Å; N139-S141 PolarHBondContact O-N 3.25Å | ||
| 140 | Q | 34.8 | Very low | 48.4 | Very low | 179 Ų | 179 | 112.8 Ų | 112.8 | 84% | 0.836 | 68% | 0.678 | S | S | * | * | trans | -57.7 | 97.8 | 168.8 | -69.9 | 176.9 | -15.7 | 0 | 0 | 107 | H138 E142 | H138-Q140 PolarHBondContact O-N 3.46Å; Q140-E142 PolarHBondContact O-N 3.29Å | ||
| 141 | S | 34.1 | Very low | 45.8 | Very low | 95 Ų | 95 | 114.2 Ų | 114.2 | 66% | 0.664 | 69% | 0.689 | S | S | * | * | trans | -67.8 | 112.6 | 151.8 | -71.1 | 0 | 0 | 0 | 0 | 104 | N139 V143 | N139-S141 VanDerWaalsContact C-N 3.28Å; N139-S141 PolarHBondContact O-N 3.25Å; S141-V143 VanDerWaalsContact C-N 3.28Å; S141-V143 PolarHBondContact O-N 2.64Å | ||
| 142 | E | 29.3 | Very low | 43.7 | Very low | 181 Ų | 181 | 119.4 Ų | 119.4 | 85% | 0.846 | 72% | 0.724 | S | S | * | * | trans | -45.1 | 99.8 | 166.2 | -71.1 | 174.7 | 148.6 | 0 | 0 | 107.5 | Q140 S144 | Q140-E142 PolarHBondContact O-N 3.29Å; E142-S144 PolarHBondContact O-N 2.95Å | ||
| 143 | V | 35.3 | Very low | 41.6 | Very low | 132 Ų | 132 | 117.9 Ų | 117.9 | 80% | 0.8 | 72% | 0.72 | S | S | * | * | trans | -71 | 88 | 158 | 177.7 | 0 | 0 | 0 | 0 | 103 | S141 A145 | S141-V143 VanDerWaalsContact C-N 3.28Å; S141-V143 PolarHBondContact O-N 2.64Å; V143-A145 PolarHBondContact O-N 3.11Å | ||
| 144 | S | 29.8 | Very low | 39.8 | Very low | 102 Ų | 102 | 118.9 Ų | 118.9 | 71% | 0.713 | 73% | 0.731 | S | S | * | * | trans | -43.3 | 111.1 | 164.5 | 44.4 | 0 | 0 | 0 | 0 | 106.9 | E142 | E142-S144 PolarHBondContact O-N 2.95Š| ||
| 145 | A | 33 | Very low | 38.1 | Very low | 82 Ų | 82 | 118.2 Ų | 118.2 | 68% | 0.678 | 73% | 0.727 | S | S | * | * | trans | -49.4 | 135.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | V143 S147 | V143-A145 PolarHBondContact O-N 3.11Å; A145-S147 PolarHBondContact O-N 3.47Å | ||
| 146 | P | 33.7 | Very low | 36.8 | Very low | 123 Ų | 123 | 120.4 Ų | 120.4 | 80% | 0.799 | 74% | 0.744 | S | S | * | * | trans | -57.6 | 112.9 | 172.9 | 22.3 | -29 | 0 | 0 | 0 | 107.1 | S148 | P146-S148 PolarHBondContact O-N 3.34Š| ||
| 147 | S | 32 | Very low | 35.7 | Very low | 102 Ų | 102 | 124.6 Ų | 124.6 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | trans | -52.1 | 108.5 | 170.5 | 172.4 | 0 | 0 | 0 | 0 | 107.4 | A145 A149 | A145-S147 PolarHBondContact O-N 3.47Å; S147-A149 PolarHBondContact O-N 2.85Å; S147-A149 WeakPolarHBondContact OG-CB 3.48Å | ||
| 148 | S | 33.8 | Very low | 34.9 | Very low | 127 Ų | 127 | 125.5 Ų | 125.5 | 89% | 0.888 | 77% | 0.769 | S | S | * | * | trans | -65.3 | 77.1 | 161.2 | 50.6 | 0 | 0 | 0 | 0 | 107.9 | P146 | P146-S148 PolarHBondContact O-N 3.34Š| ||
| 149 | A | 34.8 | Very low | 34.2 | Very low | 66 Ų | 66 | 127.9 Ų | 127.9 | 55% | 0.545 | 79% | 0.794 | S | S | . | * | trans | -154.1 | 70.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | S147 | S147-A149 PolarHBondContact O-N 2.85Å; S147-A149 WeakPolarHBondContact OG-CB 3.48Å | ||
| 150 | A | 37.2 | Very low | 33.8 | Very low | 95 Ų | 95 | 126.8 Ų | 126.8 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -151.8 | 75.8 | 151.2 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 151 | L | 31.6 | Very low | 33.7 | Very low | 154 Ų | 154 | 122.4 Ų | 122.4 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | 70.1 | 108.5 | 93.3 | -87.7 | 133.6 | 0 | 0 | 0 | 112.7 | |||||
| 152 | V | 39.4 | Very low | 33.6 | Very low | 210 Ų | 210 | 124.9 Ų | 124.9 | 100% | 1.273 | 80% | 0.804 | S | S | * | * | trans | 65.5 | 0 | 144.9 | -171.5 | 0 | 0 | 0 | 0 | 117.4 |
Retrieved 152 of 152 residues in 144.4 ms
(Link to these results)