| 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 | 40.9 | Very low | 51.8 | Low | 224 Ų | 224 | 128.7 Ų | 128.7 | 100% | 1.103 | 72% | 0.72 | S | S | * | * | 0 | 118.3 | 0 | -61 | -58.6 | -176.4 | 0 | 0 | 107.6 | V3 | M1-V3 PolarHBondContact O-N 3.05Š| |||
| 2 | P | 43.2 | Very low | 53.8 | Low | 120 Ų | 120 | 121.8 Ų | 121.8 | 78% | 0.779 | 69% | 0.691 | S | S | * | * | trans | -67.8 | 127.8 | 174.3 | 27.9 | -30.2 | 0 | 0 | 0 | 108.8 | N4 | P2-N4 PolarHBondContact O-N 3.22Å; P2-N4 VanDerWaalsContact O-N 3.08Å | ||
| 3 | V | 43.8 | Very low | 55.5 | Low | 125 Ų | 125 | 121.6 Ų | 121.6 | 76% | 0.758 | 68% | 0.678 | S | S | * | * | trans | -71.9 | 102.2 | 177.1 | -173.3 | 0 | 0 | 0 | 0 | 106.8 | M1 H5 | M1-V3 PolarHBondContact O-N 3.05Å; V3-H5 VanDerWaalsContact C-N 3.33Å; V3-H5 PolarHBondContact O-N 2.87Å | ||
| 4 | N | 43.6 | Very low | 57.3 | Low | 140 Ų | 140 | 115.7 Ų | 115.7 | 75% | 0.749 | 66% | 0.658 | S | S | * | * | trans | -62.5 | 96.9 | 170.8 | -92.2 | -28.1 | 0 | 0 | 0 | 108.3 | P2 T6 | P2-N4 PolarHBondContact O-N 3.22Å; P2-N4 VanDerWaalsContact O-N 3.08Å; N4-T6 PolarHBondContact O-N 3.05Å | ||
| 5 | H | 47.1 | Very low | 58.9 | Low | 141 Ų | 141 | 114.6 Ų | 114.6 | 65% | 0.653 | 65% | 0.649 | S | S | * | * | trans | -67.7 | 84.3 | 166.1 | -112.3 | 30.3 | 0 | 0 | 0 | 107.8 | V3 F7 | V3-H5 VanDerWaalsContact C-N 3.33Å; V3-H5 PolarHBondContact O-N 2.87Å; H5-F7 VanDerWaalsContact C-N 3.25Å; H5-F7 HydrophobicContact CB-CD2 4.19Å; H5-F7 HydrophobicContact CB-CE2 3.83Å; H5-F7 AromaticContact CD2-CE2 3.91Å; H5-F7 AromaticContact CD2-CZ 3.71Å; H5-F7 WeakPolarHBondContact O-CD2 3.46Å; H5-F7 PolarHBondContact O-N 3.37Å | ||
| 6 | T | 46.8 | Very low | 60.2 | Low | 124 Ų | 124 | 110.9 Ų | 110.9 | 76% | 0.761 | 63% | 0.626 | S | S | * | * | trans | -68.5 | 89.9 | 165.4 | 32.6 | 0 | 0 | 0 | 0 | 106.8 | N4 Q8 | N4-T6 PolarHBondContact O-N 3.05Å; T6-Q8 PolarHBondContact O-N 3.32Å | ||
| 7 | F | 44.9 | Very low | 61.5 | Low | 124 Ų | 124 | 107.2 Ų | 107.2 | 54% | 0.544 | 60% | 0.602 | S | S | . | * | trans | -65.2 | 99.8 | 168.2 | -73.8 | -89 | 0 | 0 | 0 | 107.5 | H5 G9 K11 A12 | H5-F7 VanDerWaalsContact C-N 3.25Å; H5-F7 HydrophobicContact CB-CD2 4.19Å; H5-F7 HydrophobicContact CB-CE2 3.83Å; H5-F7 AromaticContact CD2-CE2 3.91Å; H5-F7 AromaticContact CD2-CZ 3.71Å; H5-F7 WeakPolarHBondContact O-CD2 3.46Å; H5-F7 PolarHBondContact O-N 3.37Å; F7-G9 PolarHBondContact O-N 3.34Å; F7-K11 HydrophobicContact CD1-CB 4.39Å; F7-A12 HydrophobicContact CB-CB 4.22Å | ||
| 8 | Q | 53.1 | Low | 62.8 | Low | 148 Ų | 148 | 104.2 Ų | 104.2 | 69% | 0.692 | 59% | 0.593 | S | S | * | * | trans | -52.4 | 132.4 | 162.5 | -78.6 | -179.7 | -30.2 | 0 | 0 | 107.6 | T6 G10 K11 | T6-Q8 PolarHBondContact O-N 3.32Å; Q8-G10 PolarHBondContact O-N 2.97Å; Q8-K11 PolarHBondContact O-N 3.42Å | ||
| 9 | G | 60.8 | Low | 64 | Low | 57 Ų | 57 | 103.9 Ų | 103.9 | 59% | 0.588 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -48 | -30.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | F7 K11 F13 | F7-G9 PolarHBondContact O-N 3.34Å; G9-K11 PolarHBondContact O-N 2.63Å; G9-F13 WeakPolarHBondContact O-CB 3.27Å; G9-F13 PolarHBondContact O-N 2.71Å |
| 10 | G | 70.6 | Confident | 65 | Low | 61 Ų | 61 | 99.5 Ų | 99.5 | 63% | 0.629 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.5 | -36.9 | 175 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q8 G14 | Q8-G10 PolarHBondContact O-N 2.97Å; G10-G14 PolarHBondContact O-N 2.77Å |
| 11 | K | 75.6 | Confident | 66.1 | Low | 152 Ų | 152 | 99.8 Ų | 99.8 | 66% | 0.661 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -72.6 | -42.8 | 178.7 | -70 | -173.8 | 179.9 | -177.6 | 0 | 111.9 | F7 Q8 G9 G14 L15 | F7-K11 HydrophobicContact CD1-CB 4.39Å; Q8-K11 PolarHBondContact O-N 3.42Å; G9-K11 PolarHBondContact O-N 2.63Å; K11-G14 PolarHBondContact O-N 3.08Å; K11-L15 PolarHBondContact O-N 2.85Å; K11-L15 VanDerWaalsContact O-N 3.16Å |
| 12 | A | 75.8 | Confident | 68.4 | Low | 45 Ų | 45 | 94.7 Ų | 94.7 | 37% | 0.372 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.5 | -44.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | F7 G14 L15 L16 | F7-A12 HydrophobicContact CB-CB 4.22Å; A12-G14 PolarHBondContact O-N 3.25Å; A12-L15 PolarHBondContact O-N 3.16Å; A12-L16 WeakPolarHBondContact O-CB 3.18Å; A12-L16 PolarHBondContact O-N 3.33Å |
| 13 | F | 76 | Confident | 70.6 | Confident | 120 Ų | 120 | 95.2 Ų | 95.2 | 53% | 0.526 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.7 | -43.2 | 176.5 | -178.8 | -98.3 | 0 | 0 | 0 | 112.5 | G9 L15 L16 K17 | G9-F13 WeakPolarHBondContact O-CB 3.27Å; G9-F13 PolarHBondContact O-N 2.71Å; F13-L15 PolarHBondContact O-N 2.88Å; F13-L16 PolarHBondContact O-N 2.82Å; F13-K17 HydrophobicContact CD1-CG 4.35Å; F13-K17 HydrophobicContact CE1-CG 3.91Å; F13-K17 HydrophobicContact CE2-CG 4.41Å; F13-K17 HydrophobicContact CZ-CD 4.43Å; F13-K17 HydrophobicContact CZ-CG 3.94Å; F13-K17 PolarHBondContact O-N 3.09Å |
| 14 | G | 79.8 | Confident | 72.8 | Confident | 39 Ų | 39 | 89.5 Ų | 89.5 | 40% | 0.402 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62 | -41.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | G10 K11 A12 K17 A18 | G10-G14 PolarHBondContact O-N 2.77Å; K11-G14 PolarHBondContact O-N 3.08Å; A12-G14 PolarHBondContact O-N 3.25Å; G14-K17 PolarHBondContact O-N 3.21Å; G14-A18 PolarHBondContact O-N 2.83Å |
| 15 | L | 82.1 | Confident | 75.2 | Confident | 99 Ų | 99 | 86.7 Ų | 86.7 | 52% | 0.518 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.1 | -42.9 | 176.4 | -176.2 | 64.2 | 0 | 0 | 0 | 111.7 | K11 A12 F13 K17 A18 Q19 | K11-L15 PolarHBondContact O-N 2.85Å; K11-L15 VanDerWaalsContact O-N 3.16Å; A12-L15 PolarHBondContact O-N 3.16Å; F13-L15 PolarHBondContact O-N 2.88Å; L15-K17 PolarHBondContact O-N 2.98Å; L15-A18 WeakPolarHBondContact O-CB 3.31Å; L15-A18 PolarHBondContact O-N 3.21Å; L15-Q19 WeakPolarHBondContact O-CG 3.4Å; L15-Q19 PolarHBondContact O-N 3.43Å |
| 16 | L | 79.6 | Confident | 77.4 | Confident | 55 Ų | 55 | 85 Ų | 85 | 29% | 0.288 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.5 | -43.2 | 178 | -172.1 | 66.2 | 0 | 0 | 0 | 111.7 | A12 F13 A18 Q19 Q20 D61 | A12-L16 WeakPolarHBondContact O-CB 3.18Å; A12-L16 PolarHBondContact O-N 3.33Å; F13-L16 PolarHBondContact O-N 2.82Å; L16-A18 VanDerWaalsContact C-N 3.33Å; L16-A18 PolarHBondContact O-N 3.05Å; L16-Q19 PolarHBondContact O-N 3.32Å; L16-Q20 WeakPolarHBondContact O-CB 3.17Å; L16-Q20 PolarHBondContact O-N 3.12Å; L16-D61 HydrophobicContact CD2-CB 3.87Å; L16-D61 WeakPolarHBondContact CD2-OD1 3.21Å |
| 17 | K | 81.6 | Confident | 79.6 | Confident | 48 Ų | 48 | 80 Ų | 80 | 21% | 0.209 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -64.1 | -35.2 | 173.8 | -76.9 | -59 | -168.1 | 179.3 | 0 | 113 | F13 G14 L15 Q20 R21 A55 D58 | F13-K17 HydrophobicContact CD1-CG 4.35Å; F13-K17 HydrophobicContact CE1-CG 3.91Å; F13-K17 HydrophobicContact CE2-CG 4.41Å; F13-K17 HydrophobicContact CZ-CD 4.43Å; F13-K17 HydrophobicContact CZ-CG 3.94Å; F13-K17 PolarHBondContact O-N 3.09Å; G14-K17 PolarHBondContact O-N 3.21Å; L15-K17 PolarHBondContact O-N 2.98Å; K17-Q20 VanDerWaalsContact NZ-OE1 3.14Å; K17-R21 WeakPolarHBondContact O-CG 3.5Å; K17-R21 PolarHBondContact O-N 3.13Å; K17-R21 VanDerWaalsContact O-N 3.09Å; K17-A55 PolarHBondContact NZ-O 3.34Å; K17-D58 PolarHBondContact NZ-O 3.35Å |
| 18 | A | 85.1 | Confident | 81.9 | Confident | 54 Ų | 54 | 74.8 Ų | 74.8 | 45% | 0.446 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.2 | -46 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | G14 L15 L16 Q20 R21 E22 | G14-A18 PolarHBondContact O-N 2.83Å; L15-A18 WeakPolarHBondContact O-CB 3.31Å; L15-A18 PolarHBondContact O-N 3.21Å; L16-A18 VanDerWaalsContact C-N 3.33Å; L16-A18 PolarHBondContact O-N 3.05Å; A18-Q20 VanDerWaalsContact C-N 3.32Å; A18-Q20 PolarHBondContact O-N 3.25Å; A18-R21 PolarHBondContact O-N 2.87Å; A18-E22 PolarHBondContact O-N 3.15Å |
| 19 | Q | 86.1 | Confident | 83.8 | Confident | 98 Ų | 98 | 74.3 Ų | 74.3 | 46% | 0.458 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.5 | -40.8 | 175.7 | -73.2 | 179.3 | -12.5 | 0 | 0 | 112.3 | L15 L16 R21 E22 R23 | L15-Q19 WeakPolarHBondContact O-CG 3.4Å; L15-Q19 PolarHBondContact O-N 3.43Å; L16-Q19 PolarHBondContact O-N 3.32Å; Q19-R21 PolarHBondContact O-N 2.97Å; Q19-E22 PolarHBondContact O-N 3.33Å; Q19-R23 PolarHBondContact O-N 2.94Å |
| 20 | Q | 84.9 | Confident | 85.4 | Confident | 15 Ų | 15 | 75.9 Ų | 75.9 | 7% | 0.07 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60 | -45.4 | 175.1 | -171.2 | -151.4 | -6.3 | 0 | 0 | 111.5 | L16 K17 A18 R23 C24 D58 | L16-Q20 WeakPolarHBondContact O-CB 3.17Å; L16-Q20 PolarHBondContact O-N 3.12Å; K17-Q20 VanDerWaalsContact NZ-OE1 3.14Å; A18-Q20 VanDerWaalsContact C-N 3.32Å; A18-Q20 PolarHBondContact O-N 3.25Å; Q20-R23 PolarHBondContact O-N 3.39Å; Q20-C24 PolarHBondContact O-N 2.91Å; Q20-C24 PolarHBondContact O-SG 3.04Å; Q20-D58 VanDerWaalsContact CD-OD2 3.3Å; Q20-D58 PolarHBondContact NE2-OD2 3.32Å |
| 21 | R | 86.2 | Confident | 86.5 | Confident | 107 Ų | 107 | 74.2 Ų | 74.2 | 40% | 0.404 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 177.9 | -78.7 | -178.6 | 178.9 | -95.8 | -2.3 | 112 | K17 A18 Q19 R23 C24 E25 N52 | K17-R21 WeakPolarHBondContact O-CG 3.5Å; K17-R21 PolarHBondContact O-N 3.13Å; K17-R21 VanDerWaalsContact O-N 3.09Å; A18-R21 PolarHBondContact O-N 2.87Å; Q19-R21 PolarHBondContact O-N 2.97Å; R21-R23 PolarHBondContact O-N 3.17Å; R21-C24 PolarHBondContact O-N 3.18Å; R21-E25 WeakPolarHBondContact O-CG 3.4Å; R21-E25 PolarHBondContact O-N 3.39Å; R21-N52 PolarHBondContact NH1-OD1 3.38Å |
| 22 | E | 90.2 | Very high | 87.2 | Confident | 117 Ų | 117 | 70.6 Ų | 70.6 | 55% | 0.547 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58.9 | -46.7 | 176.7 | -176.7 | 175.1 | -139 | 0 | 0 | 111.3 | A18 Q19 C24 E25 E26 | A18-E22 PolarHBondContact O-N 3.15Å; Q19-E22 PolarHBondContact O-N 3.33Å; E22-C24 VanDerWaalsContact C-N 3.32Å; E22-C24 PolarHBondContact O-N 3.39Å; E22-E25 WeakPolarHBondContact O-CA 3.4Å; E22-E25 WeakPolarHBondContact O-CB 3.33Å; E22-E25 PolarHBondContact O-N 3.25Å; E22-E26 PolarHBondContact O-N 2.89Å |
| 23 | R | 89.8 | Confident | 88 | Confident | 130 Ų | 130 | 76.7 Ų | 76.7 | 49% | 0.491 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59 | -42.1 | 175.3 | -172.1 | -171.3 | -64.5 | 161 | -0.5 | 112.3 | Q19 Q20 R21 E25 E26 I27 Q62 | Q19-R23 PolarHBondContact O-N 2.94Å; Q20-R23 PolarHBondContact O-N 3.39Å; R21-R23 PolarHBondContact O-N 3.17Å; R23-E25 VanDerWaalsContact C-N 3.3Å; R23-E25 PolarHBondContact O-N 3.15Å; R23-E26 PolarHBondContact O-N 3.23Å; R23-I27 HydrophobicContact CG-CD1 4.3Å; R23-I27 VanDerWaalsContact O-CG1 3.31Å; R23-I27 WeakPolarHBondContact O-CG1 3.29Å; R23-I27 PolarHBondContact O-N 3.47Å; R23-I27 VanDerWaalsContact O-N 3.1Å; R23-Q62 PolarHBondContact NH1-O 3.38Å |
| 24 | C | 90.3 | Very high | 88.7 | Confident | 5 Ų | 5 | 74.3 Ų | 74.3 | 3% | 0.034 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66.2 | -34.6 | 176.5 | -63 | 0 | 0 | 0 | 0 | 111.7 | Q20 R21 E22 I27 N28 K51 Y103 | Q20-C24 PolarHBondContact O-N 2.91Å; Q20-C24 PolarHBondContact O-SG 3.04Å; R21-C24 PolarHBondContact O-N 3.18Å; E22-C24 VanDerWaalsContact C-N 3.32Å; E22-C24 PolarHBondContact O-N 3.39Å; C24-I27 PolarHBondContact O-N 2.88Å; C24-N28 WeakPolarHBondContact O-CB 3.37Å; C24-N28 VanDerWaalsContact O-CG 3.23Å; C24-N28 PolarHBondContact O-N 3.12Å; C24-N28 PolarHBondContact O-OD1 3.05Å; C24-K51 HydrophobicContact CB-CD 4.21Å; C24-K51 HydrophobicContact CB-CG 3.84Å; C24-Y103 HydrophobicContact CB-CD1 3.94Å; C24-Y103 HydrophobicContact CB-CE1 3.82Å; C24-Y103 HydrophobicContact CB-CE2 4.4Å; C24-Y103 HydrophobicContact CB-CG 4.3Å; C24-Y103 WeakPolarHBondContact O-CE1 3.48Å |
| 25 | E | 92.3 | Very high | 89.2 | Confident | 82 Ų | 82 | 79.4 Ų | 79.4 | 38% | 0.383 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -69.2 | -38.9 | 176.1 | -75 | 175.6 | -174.7 | 0 | 0 | 112.7 | R21 E22 R23 N28 K29 K51 | R21-E25 WeakPolarHBondContact O-CG 3.4Å; R21-E25 PolarHBondContact O-N 3.39Å; E22-E25 WeakPolarHBondContact O-CA 3.4Å; E22-E25 WeakPolarHBondContact O-CB 3.33Å; E22-E25 PolarHBondContact O-N 3.25Å; R23-E25 VanDerWaalsContact C-N 3.3Å; R23-E25 PolarHBondContact O-N 3.15Å; E25-N28 WeakPolarHBondContact O-CB 3.43Å; E25-N28 PolarHBondContact O-N 3.06Å; E25-K29 WeakPolarHBondContact O-CG 3.46Å; E25-K29 PolarHBondContact O-N 3.28Å; E25-K51 HydrophobicContact CG-CD 3.71Å; E25-K51 IonicContact OE1-NZ 3.35Å; E25-K51 PolarHBondContact OE1-NZ 2.86Å |
| 26 | E | 93.4 | Very high | 89.6 | Confident | 106 Ų | 106 | 81.2 Ų | 81.2 | 50% | 0.495 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.4 | -48.2 | 171.9 | -70.8 | 178.7 | 164.7 | 0 | 0 | 111 | E22 R23 N28 K29 E30 | E22-E26 PolarHBondContact O-N 2.89Å; R23-E26 PolarHBondContact O-N 3.23Å; E26-N28 VanDerWaalsContact C-N 3.28Å; E26-N28 PolarHBondContact O-N 2.97Å; E26-K29 WeakPolarHBondContact O-CB 3.43Å; E26-K29 PolarHBondContact O-N 3.41Å; E26-K29 VanDerWaalsContact O-N 3.09Å; E26-E30 PolarHBondContact O-N 3.04Å; E26-E30 VanDerWaalsContact O-N 3.12Å |
| 27 | I | 93.5 | Very high | 90 | Very high | 17 Ų | 17 | 79.4 Ų | 79.4 | 9% | 0.087 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59.3 | -43 | 175.9 | -67.4 | 166.2 | 0 | 0 | 0 | 110.1 | R23 C24 K29 E30 Y31 Y103 R104 | R23-I27 HydrophobicContact CG-CD1 4.3Å; R23-I27 VanDerWaalsContact O-CG1 3.31Å; R23-I27 WeakPolarHBondContact O-CG1 3.29Å; R23-I27 PolarHBondContact O-N 3.47Å; R23-I27 VanDerWaalsContact O-N 3.1Å; C24-I27 PolarHBondContact O-N 2.88Å; I27-K29 VanDerWaalsContact C-N 3.28Å; I27-K29 PolarHBondContact O-N 3.44Å; I27-E30 WeakPolarHBondContact O-CB 3.32Å; I27-E30 PolarHBondContact O-N 3.09Å; I27-E30 VanDerWaalsContact O-N 3.09Å; I27-Y31 HydrophobicContact CG2-CD2 3.66Å; I27-Y31 HydrophobicContact CG2-CE2 3.43Å; I27-Y31 VanDerWaalsContact CG2-CE2 3.43Å; I27-Y31 VanDerWaalsContact O-CD2 3.24Å; I27-Y31 WeakPolarHBondContact O-CD2 3.23Å; I27-Y31 PolarHBondContact O-N 3.41Å; I27-Y103 HydrophobicContact CB-CD1 3.8Å; I27-Y103 HydrophobicContact CB-CE1 4.07Å; I27-Y103 HydrophobicContact CD1-CD1 3.83Å; I27-Y103 HydrophobicContact CG1-CD1 4.42Å; I27-Y103 HydrophobicContact CG2-CD1 3.6Å; I27-Y103 HydrophobicContact CG2-CE1 3.88Å; I27-R104 HydrophobicContact CD1-CG 4.21Å; I27-R104 HydrophobicContact CG1-CG 4.47Å; I27-R104 HydrophobicContact CG2-CG 3.82Å |
| 28 | N | 93.9 | Very high | 90.3 | Very high | 15 Ų | 15 | 86 Ų | 86 | 8% | 0.08 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -59.2 | -37.7 | 177 | -77.3 | -7.9 | 0 | 0 | 0 | 112.9 | C24 E25 E26 Y31 M32 L47 Y103 | C24-N28 WeakPolarHBondContact O-CB 3.37Å; C24-N28 VanDerWaalsContact O-CG 3.23Å; C24-N28 PolarHBondContact O-N 3.12Å; C24-N28 PolarHBondContact O-OD1 3.05Å; E25-N28 WeakPolarHBondContact O-CB 3.43Å; E25-N28 PolarHBondContact O-N 3.06Å; E26-N28 VanDerWaalsContact C-N 3.28Å; E26-N28 PolarHBondContact O-N 2.97Å; N28-Y31 PolarHBondContact O-N 3.12Å; N28-M32 WeakPolarHBondContact O-CG 3.25Å; N28-M32 PolarHBondContact O-N 3.01Å; N28-L47 HydrophobicContact CB-CB 4.32Å; N28-L47 HydrophobicContact CB-CD1 3.94Å; N28-L47 PolarHBondContact ND2-O 3Å; N28-L47 VanDerWaalsContact ND2-O 3.16Å; N28-L47 WeakPolarHBondContact O-CD1 3.37Å; N28-Y103 PolarHBondContact ND2-OH 2.98Å; N28-Y103 WeakPolarHBondContact OD1-CE1 3.36Å; N28-Y103 PolarHBondContact OD1-OH 3.16Å |
| 29 | K | 93.4 | Very high | 90.4 | Very high | 138 Ų | 138 | 90.5 Ų | 90.5 | 60% | 0.6 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -64.2 | -40.5 | 174.5 | -68.9 | 170.9 | -174.6 | 171.3 | 0 | 111.6 | E25 E26 I27 Y31 M32 E33 | E25-K29 WeakPolarHBondContact O-CG 3.46Å; E25-K29 PolarHBondContact O-N 3.28Å; E26-K29 WeakPolarHBondContact O-CB 3.43Å; E26-K29 PolarHBondContact O-N 3.41Å; E26-K29 VanDerWaalsContact O-N 3.09Å; I27-K29 VanDerWaalsContact C-N 3.28Å; I27-K29 PolarHBondContact O-N 3.44Å; K29-Y31 VanDerWaalsContact C-N 3.3Å; K29-Y31 PolarHBondContact O-N 3.26Å; K29-M32 WeakPolarHBondContact O-CB 3.38Å; K29-M32 PolarHBondContact O-N 3.09Å; K29-M32 VanDerWaalsContact O-N 3.12Å; K29-E33 PolarHBondContact O-N 3.15Å |
| 30 | E | 94.6 | Very high | 90.4 | Very high | 90 Ų | 90 | 89.1 Ų | 89.1 | 42% | 0.421 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.8 | -42 | 174 | -63 | 177.9 | -137.6 | 0 | 0 | 111.6 | E26 I27 M32 E33 D34 R104 | E26-E30 PolarHBondContact O-N 3.04Å; E26-E30 VanDerWaalsContact O-N 3.12Å; I27-E30 WeakPolarHBondContact O-CB 3.32Å; I27-E30 PolarHBondContact O-N 3.09Å; I27-E30 VanDerWaalsContact O-N 3.09Å; E30-M32 VanDerWaalsContact C-N 3.3Å; E30-M32 PolarHBondContact O-N 3.02Å; E30-E33 PolarHBondContact O-N 3.34Å; E30-D34 PolarHBondContact O-N 3.11Å; E30-D34 VanDerWaalsContact O-N 3.09Å; E30-R104 IonicContact OE1-NH2 3.12Å; E30-R104 PolarHBondContact OE1-NH2 3.38Å; E30-R104 IonicContact OE2-CZ 2.83Å; E30-R104 IonicContact OE2-NH1 3.11Å; E30-R104 IonicContact OE2-NH2 2.85Å; E30-R104 PolarHBondContact OE2-NH2 3.19Å |
| 31 | Y | 93.1 | Very high | 90.6 | Very high | 27 Ų | 27 | 95.9 Ų | 95.9 | 11% | 0.106 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -66.6 | -28 | 175.8 | -81.6 | -85.3 | 0 | 0 | 0 | 113.4 | I27 N28 K29 Y37 R104 V107 L111 | I27-Y31 HydrophobicContact CG2-CD2 3.66Å; I27-Y31 HydrophobicContact CG2-CE2 3.43Å; I27-Y31 VanDerWaalsContact CG2-CE2 3.43Å; I27-Y31 VanDerWaalsContact O-CD2 3.24Å; I27-Y31 WeakPolarHBondContact O-CD2 3.23Å; I27-Y31 PolarHBondContact O-N 3.41Å; N28-Y31 PolarHBondContact O-N 3.12Å; K29-Y31 VanDerWaalsContact C-N 3.3Å; K29-Y31 PolarHBondContact O-N 3.26Å; Y31-Y37 AromaticContact CD1-CD2 3.75Å; Y31-Y37 HydrophobicContact CD1-CD2 3.75Å; Y31-Y37 AromaticContact CD1-CE2 3.37Å; Y31-Y37 HydrophobicContact CD1-CE2 3.37Å; Y31-Y37 AromaticContact CD1-CZ 3.93Å; Y31-Y37 HydrophobicContact CE1-CD2 4.44Å; Y31-Y37 AromaticContact CE1-CE2 3.62Å; Y31-Y37 HydrophobicContact CE1-CE2 3.62Å; Y31-Y37 AromaticContact CE1-CZ 3.83Å; Y31-R104 HydrophobicContact CE2-CG 4.43Å; Y31-R104 WeakPolarHBondContact OH-CA 3.5Å; Y31-R104 PolarHBondContact OH-O 3.18Å; Y31-V107 HydrophobicContact CD1-CG1 3.8Å; Y31-V107 HydrophobicContact CD2-CG1 4.05Å; Y31-V107 HydrophobicContact CE1-CB 4.31Å; Y31-V107 HydrophobicContact CE1-CG1 3.58Å; Y31-V107 HydrophobicContact CE2-CB 4.06Å; Y31-V107 HydrophobicContact CE2-CG1 3.88Å; Y31-V107 HydrophobicContact CG-CG1 4.05Å; Y31-L111 HydrophobicContact CD1-CD1 4.32Å |
| 32 | M | 89.8 | Confident | 90.7 | Very high | 75 Ų | 75 | 95.9 Ų | 95.9 | 37% | 0.369 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -69.2 | -34.7 | 173.8 | -71 | -75.6 | 120.7 | 0 | 0 | 112.5 | N28 K29 E30 L43 L44 L47 | N28-M32 WeakPolarHBondContact O-CG 3.25Å; N28-M32 PolarHBondContact O-N 3.01Å; K29-M32 WeakPolarHBondContact O-CB 3.38Å; K29-M32 PolarHBondContact O-N 3.09Å; K29-M32 VanDerWaalsContact O-N 3.12Å; E30-M32 VanDerWaalsContact C-N 3.3Å; E30-M32 PolarHBondContact O-N 3.02Å; M32-L43 HydrophobicContact CE-CB 3.8Å; M32-L43 HydrophobicContact CE-CD2 3.56Å; M32-L43 HydrophobicContact CE-CG 3.37Å; M32-L43 HydrophobicContact SD-CD2 4.48Å; M32-L44 VanDerWaalsContact CE-CA 3.49Å; M32-L44 HydrophobicContact CE-CB 4.05Å; M32-L44 HydrophobicContact CE-CD1 4.24Å; M32-L44 HydrophobicContact SD-CB 4.25Å; M32-L44 HydrophobicContact SD-CD1 4.1Å; M32-L47 HydrophobicContact CE-CD1 3.33Å; M32-L47 HydrophobicContact CE-CG 4.06Å; M32-L47 HydrophobicContact CG-CD1 4.49Å |
| 33 | E | 91.7 | Very high | 90.8 | Very high | 173 Ų | 173 | 91.1 Ų | 91.1 | 81% | 0.808 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -87.2 | -18.8 | -177.4 | -66 | -178.1 | 162.7 | 0 | 0 | 112.8 | K29 E30 Q35 | K29-E33 PolarHBondContact O-N 3.15Å; E30-E33 PolarHBondContact O-N 3.34Å; E33-Q35 PolarHBondContact O-N 3.16Å |
| 34 | D | 92.7 | Very high | 90.8 | Very high | 71 Ų | 71 | 90.8 Ų | 90.8 | 38% | 0.38 | 43% | 0.427 | S | S | . | . | trans | -67.1 | 120.7 | 179.5 | -173.4 | -15.7 | 0 | 0 | 0 | 111.7 | E30 K36 Y37 | E30-D34 PolarHBondContact O-N 3.11Å; E30-D34 VanDerWaalsContact O-N 3.09Å; D34-K36 PolarHBondContact O-N 3.06Å; D34-K36 WeakPolarHBondContact OD1-CB 3.37Å; D34-K36 PolarHBondContact OD1-N 3.23Å; D34-Y37 HydrophobicContact CB-CD2 4.02Å; D34-Y37 HydrophobicContact CB-CE2 4.42Å; D34-Y37 PolarHBondContact O-N 3.38Å; D34-Y37 VanDerWaalsContact O-N 3.16Å | ||
| 35 | Q | 89.4 | Confident | 90.8 | Very high | 146 Ų | 146 | 97.4 Ų | 97.4 | 68% | 0.682 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -54.5 | -28.5 | 178.2 | -173 | 179.2 | 10.2 | 0 | 0 | 112.8 | E33 Y37 R38 | E33-Q35 PolarHBondContact O-N 3.16Å; Q35-Y37 VanDerWaalsContact C-N 3.27Å; Q35-Y37 PolarHBondContact O-N 3.46Å; Q35-R38 WeakPolarHBondContact O-CB 3.45Å; Q35-R38 PolarHBondContact O-N 3.32Å |
| 36 | K | 90.3 | Very high | 90.8 | Very high | 136 Ų | 136 | 96.8 Ų | 96.8 | 59% | 0.591 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -62.6 | -30.1 | -178.3 | -175.4 | -177.2 | 171.5 | -158.6 | 0 | 113.7 | D34 | D34-K36 PolarHBondContact O-N 3.06Å; D34-K36 WeakPolarHBondContact OD1-CB 3.37Å; D34-K36 PolarHBondContact OD1-N 3.23Å |
| 37 | Y | 88.9 | Confident | 90.7 | Very high | 18 Ų | 18 | 91.8 Ų | 91.8 | 7% | 0.071 | 43% | 0.43 | C | S | . | . | G | 310 helix | trans | -107.9 | 11.5 | -176.6 | -52.1 | -76.2 | 0 | 0 | 0 | 112.7 | Y31 D34 Q35 D39 E40 L111 | Y31-Y37 AromaticContact CD1-CD2 3.75Å; Y31-Y37 HydrophobicContact CD1-CD2 3.75Å; Y31-Y37 AromaticContact CD1-CE2 3.37Å; Y31-Y37 HydrophobicContact CD1-CE2 3.37Å; Y31-Y37 AromaticContact CD1-CZ 3.93Å; Y31-Y37 HydrophobicContact CE1-CD2 4.44Å; Y31-Y37 AromaticContact CE1-CE2 3.62Å; Y31-Y37 HydrophobicContact CE1-CE2 3.62Å; Y31-Y37 AromaticContact CE1-CZ 3.83Å; D34-Y37 HydrophobicContact CB-CD2 4.02Å; D34-Y37 HydrophobicContact CB-CE2 4.42Å; D34-Y37 PolarHBondContact O-N 3.38Å; D34-Y37 VanDerWaalsContact O-N 3.16Å; Q35-Y37 VanDerWaalsContact C-N 3.27Å; Q35-Y37 PolarHBondContact O-N 3.46Å; Y37-D39 PolarHBondContact O-N 3.01Å; Y37-E40 HydrophobicContact CD1-CG 4.31Å; Y37-E40 WeakPolarHBondContact O-CB 3.41Å; Y37-E40 PolarHBondContact O-N 3.03Å; Y37-L111 HydrophobicContact CD1-CB 4.3Å; Y37-L111 HydrophobicContact CD1-CD1 3.74Å; Y37-L111 HydrophobicContact CE1-CB 3.97Å; Y37-L111 HydrophobicContact CE1-CD1 3.81Å; Y37-L111 HydrophobicContact CG-CD1 4.26Å |
| 38 | R | 86.3 | Confident | 90.6 | Very high | 186 Ų | 186 | 94.2 Ų | 94.2 | 70% | 0.702 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -35.9 | 179 | -176.7 | -174.7 | -69.7 | -170.9 | -1.6 | 113.1 | Q35 E40 | Q35-R38 WeakPolarHBondContact O-CB 3.45Å; Q35-R38 PolarHBondContact O-N 3.32Å; R38-E40 VanDerWaalsContact C-N 3.34Å |
| 39 | D | 87.3 | Confident | 90.4 | Very high | 148 Ų | 148 | 95.9 Ų | 95.9 | 79% | 0.791 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -1.4 | -177.8 | -53.8 | -50.6 | 0 | 0 | 0 | 112.9 | Y37 E41 | Y37-D39 PolarHBondContact O-N 3.01Å; D39-E41 PolarHBondContact O-N 2.88Å |
| 40 | E | 87.3 | Confident | 90.3 | Very high | 70 Ų | 70 | 90.2 Ų | 90.2 | 33% | 0.327 | 43% | 0.431 | S | S | . | . | trans | -74.9 | 110.4 | 174.9 | -78.3 | -72.1 | 157 | 0 | 0 | 110.1 | Y37 R38 L43 K46 | Y37-E40 HydrophobicContact CD1-CG 4.31Å; Y37-E40 WeakPolarHBondContact O-CB 3.41Å; Y37-E40 PolarHBondContact O-N 3.03Å; R38-E40 VanDerWaalsContact C-N 3.34Å; E40-L43 HydrophobicContact CB-CB 4.18Å; E40-L43 HydrophobicContact CB-CD1 3.93Å; E40-L43 HydrophobicContact CB-CG 4.46Å; E40-L43 HydrophobicContact CG-CD1 4.43Å; E40-K46 IonicContact OE2-NZ 2.89Å; E40-K46 PolarHBondContact OE2-NZ 3.4Å | ||
| 41 | E | 87.4 | Confident | 90.1 | Very high | 156 Ų | 156 | 86.7 Ų | 86.7 | 73% | 0.729 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 143.5 | 171.3 | -63.3 | -179.4 | 169.6 | 0 | 0 | 110.7 | D39 L43 K46 | D39-E41 PolarHBondContact O-N 2.88Å; E41-L43 PolarHBondContact O-N 3.13Å; E41-L43 VanDerWaalsContact O-N 3.08Å; E41-K46 VanDerWaalsContact O-CE 3.31Å; E41-K46 WeakPolarHBondContact O-CE 3.35Å; E41-K46 PolarHBondContact O-NZ 3.43Å |
| 42 | D | 89.8 | Confident | 89.9 | Confident | 108 Ų | 108 | 88.5 Ų | 88.5 | 58% | 0.578 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 31.3 | 178.3 | -53.2 | -39.3 | 0 | 0 | 0 | 114.3 | L44 E45 K46 | D42-L44 PolarHBondContact O-N 3.09Å; D42-E45 HydrophobicContact CB-CB 4.48Å; D42-E45 PolarHBondContact O-N 3.44Å; D42-E45 VanDerWaalsContact O-N 3.15Å; D42-K46 WeakPolarHBondContact O-CG 3.34Å; D42-K46 PolarHBondContact O-N 3.05Å |
| 43 | L | 91.1 | Very high | 89.8 | Confident | 17 Ų | 17 | 86.4 Ų | 86.4 | 9% | 0.089 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -55 | -38.9 | -177.4 | -174.4 | 66.4 | 0 | 0 | 0 | 111.9 | M32 E40 E41 K46 L47 L111 | M32-L43 HydrophobicContact CE-CB 3.8Å; M32-L43 HydrophobicContact CE-CD2 3.56Å; M32-L43 HydrophobicContact CE-CG 3.37Å; M32-L43 HydrophobicContact SD-CD2 4.48Å; E40-L43 HydrophobicContact CB-CB 4.18Å; E40-L43 HydrophobicContact CB-CD1 3.93Å; E40-L43 HydrophobicContact CB-CG 4.46Å; E40-L43 HydrophobicContact CG-CD1 4.43Å; E41-L43 PolarHBondContact O-N 3.13Å; E41-L43 VanDerWaalsContact O-N 3.08Å; L43-K46 PolarHBondContact O-N 3.18Å; L43-L47 HydrophobicContact CD1-CG 4.24Å; L43-L47 HydrophobicContact CG-CD1 4.29Å; L43-L47 HydrophobicContact CG-CG 4.25Å; L43-L47 WeakPolarHBondContact O-CB 3.47Å; L43-L47 VanDerWaalsContact O-CG 3.25Å; L43-L47 WeakPolarHBondContact O-CG 3.46Å; L43-L47 PolarHBondContact O-N 3.02Å; L43-L111 HydrophobicContact CD1-CD1 3.69Å; L43-L111 HydrophobicContact CD1-CD2 3.77Å; L43-L111 HydrophobicContact CD1-CG 4.41Å |
| 44 | L | 90.1 | Very high | 89.6 | Confident | 122 Ų | 122 | 78.1 Ų | 78.1 | 64% | 0.639 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -63.5 | -46.3 | -179.6 | -176.2 | 65.9 | 0 | 0 | 0 | 111.8 | M32 D42 L47 D48 | M32-L44 VanDerWaalsContact CE-CA 3.49Å; M32-L44 HydrophobicContact CE-CB 4.05Å; M32-L44 HydrophobicContact CE-CD1 4.24Å; M32-L44 HydrophobicContact SD-CB 4.25Å; M32-L44 HydrophobicContact SD-CD1 4.1Å; D42-L44 PolarHBondContact O-N 3.09Å; L44-L47 PolarHBondContact O-N 3.49Å; L44-D48 PolarHBondContact O-N 3.29Å |
| 45 | E | 90.6 | Very high | 89.2 | Confident | 144 Ų | 144 | 75.5 Ų | 75.5 | 67% | 0.673 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -66.8 | -40.6 | 178.1 | -61.1 | -169.5 | 174.5 | 0 | 0 | 111.2 | D42 D48 S49 | D42-E45 HydrophobicContact CB-CB 4.48Å; D42-E45 PolarHBondContact O-N 3.44Å; D42-E45 VanDerWaalsContact O-N 3.15Å; E45-D48 PolarHBondContact O-N 3.44Å; E45-S49 WeakPolarHBondContact O-CB 3.27Å; E45-S49 PolarHBondContact O-N 2.88Å |
| 46 | K | 91.2 | Very high | 88.9 | Confident | 69 Ų | 69 | 72.1 Ų | 72.1 | 30% | 0.3 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58.6 | -49.3 | 173.7 | -74.3 | 171.1 | 177 | 162.9 | 0 | 111.5 | E40 E41 D42 L43 D48 S49 F50 L111 | E40-K46 IonicContact OE2-NZ 2.89Å; E40-K46 PolarHBondContact OE2-NZ 3.4Å; E41-K46 VanDerWaalsContact O-CE 3.31Å; E41-K46 WeakPolarHBondContact O-CE 3.35Å; E41-K46 PolarHBondContact O-NZ 3.43Å; D42-K46 WeakPolarHBondContact O-CG 3.34Å; D42-K46 PolarHBondContact O-N 3.05Å; L43-K46 PolarHBondContact O-N 3.18Å; K46-D48 VanDerWaalsContact C-N 3.34Å; K46-D48 PolarHBondContact O-N 3.38Å; K46-S49 WeakPolarHBondContact O-CB 3.24Å; K46-S49 PolarHBondContact O-N 2.85Å; K46-F50 HydrophobicContact CB-CE2 3.94Å; K46-F50 HydrophobicContact CB-CZ 3.93Å; K46-F50 HydrophobicContact CG-CZ 4.44Å; K46-F50 WeakPolarHBondContact O-CD1 3.42Å; K46-F50 VanDerWaalsContact O-CD2 3.28Å; K46-F50 WeakPolarHBondContact O-CD2 3.34Å; K46-F50 WeakPolarHBondContact O-CG 3.24Å; K46-F50 PolarHBondContact O-N 3.48Å; K46-L111 HydrophobicContact CD-CD2 4.24Å |
| 47 | L | 92.8 | Very high | 88.3 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65 | -36 | -179.5 | -73.1 | -170.1 | 0 | 0 | 0 | 112.5 | N28 M32 L43 L44 F50 K51 Y103 V107 L111 | N28-L47 HydrophobicContact CB-CB 4.32Å; N28-L47 HydrophobicContact CB-CD1 3.94Å; N28-L47 PolarHBondContact ND2-O 3Å; N28-L47 VanDerWaalsContact ND2-O 3.16Å; N28-L47 WeakPolarHBondContact O-CD1 3.37Å; M32-L47 HydrophobicContact CE-CD1 3.33Å; M32-L47 HydrophobicContact CE-CG 4.06Å; M32-L47 HydrophobicContact CG-CD1 4.49Å; L43-L47 HydrophobicContact CD1-CG 4.24Å; L43-L47 HydrophobicContact CG-CD1 4.29Å; L43-L47 HydrophobicContact CG-CG 4.25Å; L43-L47 WeakPolarHBondContact O-CB 3.47Å; L43-L47 VanDerWaalsContact O-CG 3.25Å; L43-L47 WeakPolarHBondContact O-CG 3.46Å; L43-L47 PolarHBondContact O-N 3.02Å; L44-L47 PolarHBondContact O-N 3.49Å; L47-F50 HydrophobicContact CD2-CD2 4.16Å; L47-K51 WeakPolarHBondContact O-CB 3.39Å; L47-K51 PolarHBondContact O-N 3.46Å; L47-Y103 PolarHBondContact O-OH 3.18Å; L47-V107 HydrophobicContact CD2-CG1 3.51Å; L47-V107 HydrophobicContact CD2-CG2 4.3Å; L47-L111 HydrophobicContact CD2-CD1 4.24Å |
| 48 | D | 91.1 | Very high | 87.5 | Confident | 69 Ų | 69 | 65.1 Ų | 65.1 | 37% | 0.369 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -68.7 | -40.7 | 174.2 | -163.6 | 68.8 | 0 | 0 | 0 | 111.6 | L44 E45 K46 F50 K51 N52 | L44-D48 PolarHBondContact O-N 3.29Å; E45-D48 PolarHBondContact O-N 3.44Å; K46-D48 VanDerWaalsContact C-N 3.34Å; K46-D48 PolarHBondContact O-N 3.38Å; D48-F50 PolarHBondContact O-N 3.26Å; D48-K51 WeakPolarHBondContact O-CB 3.33Å; D48-K51 PolarHBondContact O-N 2.96Å; D48-K51 WeakPolarHBondContact OD1-CE 3.4Å; D48-K51 IonicContact OD1-NZ 3.03Å; D48-K51 PolarHBondContact OD1-NZ 3.12Å; D48-N52 PolarHBondContact O-N 2.77Å; D48-N52 PolarHBondContact O-ND2 3.05Å; D48-N52 PolarHBondContact OD2-ND2 3.43Å |
| 49 | S | 90.3 | Very high | 86.4 | Confident | 49 Ų | 49 | 59.8 Ų | 59.8 | 34% | 0.343 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59 | -46.2 | 172.7 | -177.4 | 0 | 0 | 0 | 0 | 112 | E45 K46 K51 N52 K53 | E45-S49 WeakPolarHBondContact O-CB 3.27Å; E45-S49 PolarHBondContact O-N 2.88Å; K46-S49 WeakPolarHBondContact O-CB 3.24Å; K46-S49 PolarHBondContact O-N 2.85Å; S49-K51 PolarHBondContact O-N 3.39Å; S49-N52 PolarHBondContact O-N 3.48Å; S49-K53 WeakPolarHBondContact O-CG 3.41Å; S49-K53 PolarHBondContact O-N 3.3Å |
| 50 | F | 91.3 | Very high | 85.3 | Confident | 20 Ų | 20 | 54.3 Ų | 54.3 | 9% | 0.088 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 177.6 | -59.2 | -21.3 | 0 | 0 | 0 | 112.2 | K46 L47 D48 N52 K53 Y54 F106 M110 L111 | K46-F50 HydrophobicContact CB-CE2 3.94Å; K46-F50 HydrophobicContact CB-CZ 3.93Å; K46-F50 HydrophobicContact CG-CZ 4.44Å; K46-F50 WeakPolarHBondContact O-CD1 3.42Å; K46-F50 VanDerWaalsContact O-CD2 3.28Å; K46-F50 WeakPolarHBondContact O-CD2 3.34Å; K46-F50 WeakPolarHBondContact O-CG 3.24Å; K46-F50 PolarHBondContact O-N 3.48Å; L47-F50 HydrophobicContact CD2-CD2 4.16Å; D48-F50 PolarHBondContact O-N 3.26Å; F50-N52 VanDerWaalsContact C-N 3.34Å; F50-N52 PolarHBondContact O-N 2.91Å; F50-K53 PolarHBondContact O-N 3.3Å; F50-Y54 WeakPolarHBondContact O-CB 3.46Å; F50-Y54 PolarHBondContact O-N 2.62Å; F50-F106 HydrophobicContact CB-CD1 4.34Å; F50-F106 HydrophobicContact CB-CE1 3.94Å; F50-M110 HydrophobicContact CD1-CB 4Å; F50-M110 HydrophobicContact CD1-CE 3.75Å; F50-M110 HydrophobicContact CD1-CG 4Å; F50-M110 HydrophobicContact CD2-CB 3.9Å; F50-M110 HydrophobicContact CE1-CB 3.69Å; F50-M110 HydrophobicContact CE1-CE 3.41Å; F50-M110 VanDerWaalsContact CE1-CE 3.41Å; F50-M110 HydrophobicContact CE1-CG 4.05Å; F50-M110 HydrophobicContact CE2-CB 3.57Å; F50-M110 HydrophobicContact CG-CB 4.13Å; F50-M110 HydrophobicContact CG-CG 4.27Å; F50-M110 HydrophobicContact CZ-CB 3.47Å; F50-M110 VanDerWaalsContact CZ-CB 3.47Å; F50-M110 HydrophobicContact CZ-CE 4.27Å; F50-M110 HydrophobicContact CZ-CG 4.33Å; F50-L111 HydrophobicContact CE2-CD2 3.75Å; F50-L111 HydrophobicContact CE2-CG 3.95Å; F50-L111 HydrophobicContact CZ-CD2 4.35Å |
| 51 | K | 90.6 | Very high | 84.3 | Confident | 15 Ų | 15 | 56.5 Ų | 56.5 | 7% | 0.065 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.7 | -47.1 | 173.3 | 180 | -176.2 | 68.9 | -175 | 0 | 111.3 | C24 E25 L47 D48 S49 Y54 A55 Y103 | C24-K51 HydrophobicContact CB-CD 4.21Å; C24-K51 HydrophobicContact CB-CG 3.84Å; E25-K51 HydrophobicContact CG-CD 3.71Å; E25-K51 IonicContact OE1-NZ 3.35Å; E25-K51 PolarHBondContact OE1-NZ 2.86Å; L47-K51 WeakPolarHBondContact O-CB 3.39Å; L47-K51 PolarHBondContact O-N 3.46Å; D48-K51 WeakPolarHBondContact O-CB 3.33Å; D48-K51 PolarHBondContact O-N 2.96Å; D48-K51 WeakPolarHBondContact OD1-CE 3.4Å; D48-K51 IonicContact OD1-NZ 3.03Å; D48-K51 PolarHBondContact OD1-NZ 3.12Å; S49-K51 PolarHBondContact O-N 3.39Å; K51-Y54 PolarHBondContact O-N 3.28Å; K51-A55 WeakPolarHBondContact O-CB 3.34Å; K51-A55 PolarHBondContact O-N 3.42Å; K51-Y103 HydrophobicContact CB-CE2 4.5Å; K51-Y103 PolarHBondContact N-OH 3.03Å |
| 52 | N | 88.1 | Confident | 83.5 | Confident | 66 Ų | 66 | 55.6 Ų | 55.6 | 35% | 0.353 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.8 | -44.6 | -178.7 | -70.6 | -38.9 | 0 | 0 | 0 | 111.8 | R21 D48 S49 F50 A55 E56 | R21-N52 PolarHBondContact NH1-OD1 3.38Å; D48-N52 PolarHBondContact O-N 2.77Å; D48-N52 PolarHBondContact O-ND2 3.05Å; D48-N52 PolarHBondContact OD2-ND2 3.43Å; S49-N52 PolarHBondContact O-N 3.48Å; F50-N52 VanDerWaalsContact C-N 3.34Å; F50-N52 PolarHBondContact O-N 2.91Å; N52-A55 PolarHBondContact O-N 3.16Å; N52-E56 PolarHBondContact O-N 2.8Å |
| 53 | K | 86.5 | Confident | 83 | Confident | 30 Ų | 30 | 51.1 Ų | 51.1 | 13% | 0.13 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63 | -45.4 | 175.1 | -70.7 | -76.6 | -174.8 | 162.5 | 0 | 111.7 | S49 F50 A55 E56 F57 E125 D126 | S49-K53 WeakPolarHBondContact O-CG 3.41Å; S49-K53 PolarHBondContact O-N 3.3Å; F50-K53 PolarHBondContact O-N 3.3Å; K53-A55 VanDerWaalsContact C-N 3.33Å; K53-A55 PolarHBondContact O-N 2.95Å; K53-E56 VanDerWaalsContact O-CB 3.31Å; K53-E56 WeakPolarHBondContact O-CB 3.37Å; K53-E56 PolarHBondContact O-N 3.39Å; K53-F57 WeakPolarHBondContact O-CD2 3.37Å; K53-F57 WeakPolarHBondContact O-CE2 3.1Å; K53-E125 IonicContact NZ-OE1 2.61Å; K53-E125 PolarHBondContact NZ-OE1 3.5Å; K53-E125 IonicContact NZ-OE2 2.81Å; K53-E125 PolarHBondContact NZ-OE2 2.86Å; K53-D126 IonicContact NZ-OD1 2.79Å; K53-D126 PolarHBondContact NZ-OD1 3.01Å |
| 54 | Y | 88.4 | Confident | 82.9 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.2 | -43.3 | 178.7 | -173.7 | -94.1 | 0 | 0 | 0 | 111.9 | F50 K51 E56 F57 D58 G63 E64 I65 I101 Y103 F106 | F50-Y54 WeakPolarHBondContact O-CB 3.46Å; F50-Y54 PolarHBondContact O-N 2.62Å; K51-Y54 PolarHBondContact O-N 3.28Å; Y54-E56 PolarHBondContact O-N 2.89Å; Y54-F57 PolarHBondContact O-N 2.98Å; Y54-F57 VanDerWaalsContact O-N 3.16Å; Y54-D58 HydrophobicContact CD1-CB 4.34Å; Y54-D58 HydrophobicContact CE1-CB 4.14Å; Y54-D58 VanDerWaalsContact CE1-OD2 3.31Å; Y54-D58 WeakPolarHBondContact CE1-OD2 3.4Å; Y54-D58 WeakPolarHBondContact O-CB 3.36Å; Y54-D58 PolarHBondContact O-N 3.28Å; Y54-G63 PolarHBondContact OH-O 3.3Å; Y54-E64 WeakPolarHBondContact OH-CA 3.46Å; Y54-I65 HydrophobicContact CD2-CD1 3.57Å; Y54-I65 HydrophobicContact CD2-CG1 4.11Å; Y54-I65 HydrophobicContact CE2-CD1 3.62Å; Y54-I65 HydrophobicContact CE2-CG1 3.73Å; Y54-I101 PolarHBondContact OH-O 3.24Å; Y54-Y103 AromaticContact CD1-CD2 3.73Å; Y54-Y103 HydrophobicContact CD1-CD2 3.73Å; Y54-Y103 HydrophobicContact CD1-CE2 4.49Å; Y54-Y103 HydrophobicContact CD1-CG 4.47Å; Y54-Y103 AromaticContact CD2-CD2 3.85Å; Y54-Y103 HydrophobicContact CD2-CD2 3.85Å; Y54-Y103 HydrophobicContact CE1-CD2 4.17Å; Y54-Y103 HydrophobicContact CE2-CD2 4.26Å; Y54-Y103 AromaticContact CG-CD2 3.56Å; Y54-Y103 HydrophobicContact CG-CD2 3.56Å; Y54-Y103 HydrophobicContact CG-CE2 4.15Å; Y54-Y103 PolarHBondContact OH-N 3.44Å; Y54-F106 HydrophobicContact CD2-CB 3.9Å; Y54-F106 AromaticContact CD2-CD1 3.92Å; Y54-F106 HydrophobicContact CD2-CD1 3.92Å; Y54-F106 HydrophobicContact CD2-CD2 4.09Å; Y54-F106 HydrophobicContact CD2-CE1 4.48Å; Y54-F106 AromaticContact CD2-CG 3.69Å; Y54-F106 HydrophobicContact CD2-CG 3.69Å; Y54-F106 HydrophobicContact CE2-CB 4.06Å; Y54-F106 HydrophobicContact CE2-CG 4.31Å; Y54-F106 HydrophobicContact CG-CD1 4.48Å |
| 55 | A | 84.9 | Confident | 82.9 | Confident | 15 Ų | 15 | 47.5 Ų | 47.5 | 12% | 0.124 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.2 | -24.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | K17 K51 N52 K53 | K17-A55 PolarHBondContact NZ-O 3.34Å; K51-A55 WeakPolarHBondContact O-CB 3.34Å; K51-A55 PolarHBondContact O-N 3.42Å; N52-A55 PolarHBondContact O-N 3.16Å; K53-A55 VanDerWaalsContact C-N 3.33Å; K53-A55 PolarHBondContact O-N 2.95Å |
| 56 | E | 82 | Confident | 82.9 | Confident | 76 Ų | 76 | 43 Ų | 43 | 36% | 0.355 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -73.1 | -35.2 | 177.5 | -166.1 | -175.6 | 141.9 | 0 | 0 | 112.8 | N52 K53 Y54 K76 | N52-E56 PolarHBondContact O-N 2.8Å; K53-E56 VanDerWaalsContact O-CB 3.31Å; K53-E56 WeakPolarHBondContact O-CB 3.37Å; K53-E56 PolarHBondContact O-N 3.39Å; Y54-E56 PolarHBondContact O-N 2.89Å; E56-K76 VanDerWaalsContact OE1-CE 3.29Å; E56-K76 WeakPolarHBondContact OE1-CE 3.18Å; E56-K76 IonicContact OE1-NZ 2.66Å; E56-K76 PolarHBondContact OE1-NZ 2.98Å |
| 57 | F | 79.4 | Confident | 82.9 | Confident | 6 Ų | 6 | 41.9 Ų | 41.9 | 3% | 0.026 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -104.8 | -12.9 | -172.9 | -54.5 | -59.9 | 0 | 0 | 0 | 114.1 | K53 Y54 L59 I65 M73 K76 M122 | K53-F57 WeakPolarHBondContact O-CD2 3.37Å; K53-F57 WeakPolarHBondContact O-CE2 3.1Å; Y54-F57 PolarHBondContact O-N 2.98Å; Y54-F57 VanDerWaalsContact O-N 3.16Å; F57-L59 WeakPolarHBondContact O-CG 3.28Å; F57-L59 PolarHBondContact O-N 2.89Å; F57-I65 HydrophobicContact CB-CD1 4.33Å; F57-M73 HydrophobicContact CB-CB 4.35Å; F57-M73 HydrophobicContact CB-SD 4.14Å; F57-M73 HydrophobicContact CD1-CB 3.41Å; F57-M73 VanDerWaalsContact CD1-CB 3.41Å; F57-M73 HydrophobicContact CD1-CG 3.49Å; F57-M73 VanDerWaalsContact CD1-CG 3.49Å; F57-M73 HydrophobicContact CD1-SD 3.85Å; F57-M73 HydrophobicContact CD2-CG 4.13Å; F57-M73 HydrophobicContact CD2-SD 3.38Å; F57-M73 WeakPolarHBondContact CD2-SD 3.48Å; F57-M73 HydrophobicContact CE1-CB 3.82Å; F57-M73 HydrophobicContact CE1-CG 3.49Å; F57-M73 VanDerWaalsContact CE1-CG 3.49Å; F57-M73 HydrophobicContact CE1-SD 4.07Å; F57-M73 HydrophobicContact CE2-CG 4.13Å; F57-M73 HydrophobicContact CE2-SD 3.64Å; F57-M73 HydrophobicContact CG-CB 3.9Å; F57-M73 HydrophobicContact CG-CG 3.83Å; F57-M73 HydrophobicContact CG-SD 3.5Å; F57-M73 WeakPolarHBondContact CG-SD 3.42Å; F57-M73 HydrophobicContact CZ-CG 3.82Å; F57-M73 HydrophobicContact CZ-SD 3.98Å; F57-K76 HydrophobicContact CE1-CD 4.46Å; F57-M122 HydrophobicContact CD2-CE 3.99Å; F57-M122 HydrophobicContact CE2-CE 4.01Å |
| 58 | D | 70.8 | Confident | 82.7 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | trans | -74.6 | 111.3 | 172.3 | -169.5 | -16.5 | 0 | 0 | 0 | 110.2 | K17 Q20 Y54 N60 G63 E64 | K17-D58 PolarHBondContact NZ-O 3.35Å; Q20-D58 VanDerWaalsContact CD-OD2 3.3Å; Q20-D58 PolarHBondContact NE2-OD2 3.32Å; Y54-D58 HydrophobicContact CD1-CB 4.34Å; Y54-D58 HydrophobicContact CE1-CB 4.14Å; Y54-D58 VanDerWaalsContact CE1-OD2 3.31Å; Y54-D58 WeakPolarHBondContact CE1-OD2 3.4Å; Y54-D58 WeakPolarHBondContact O-CB 3.36Å; Y54-D58 PolarHBondContact O-N 3.28Å; D58-N60 PolarHBondContact OD1-OD1 3.09Å; D58-G63 VanDerWaalsContact CG-C 3.43Å; D58-G63 WeakPolarHBondContact OD2-CA 3.44Å; D58-G63 VanDerWaalsContact OD2-O 3.06Å; D58-E64 PolarHBondContact OD1-N 3.09Å; D58-E64 PolarHBondContact OD2-N 3.48Å | ||
| 59 | L | 63.1 | Low | 82.6 | Confident | 73 Ų | 73 | 45.7 Ų | 45.7 | 38% | 0.382 | 24% | 0.237 | S | C | . | . | trans | -122 | -2 | -170.7 | -63.6 | 175.2 | 0 | 0 | 0 | 113.2 | F57 R72 | F57-L59 WeakPolarHBondContact O-CG 3.28Å; F57-L59 PolarHBondContact O-N 2.89Å; L59-R72 HydrophobicContact CD1-CB 3.98Å; L59-R72 HydrophobicContact CD1-CG 4.27Å | ||
| 60 | N | 65.6 | Low | 82.7 | Confident | 34 Ų | 34 | 43.3 Ų | 43.3 | 18% | 0.182 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -98.8 | 153.9 | 177.8 | 69.3 | 26.6 | 0 | 0 | 0 | 109.8 | D58 Q62 G63 E64 | D58-N60 PolarHBondContact OD1-OD1 3.09Å; N60-Q62 PolarHBondContact O-N 3.1Å; N60-Q62 WeakPolarHBondContact OD1-CA 3.45Å; N60-Q62 WeakPolarHBondContact OD1-CB 3.42Å; N60-Q62 PolarHBondContact OD1-N 2.66Å; N60-Q62 VanDerWaalsContact OD1-N 3.13Å; N60-G63 PolarHBondContact O-N 3.03Å; N60-G63 PolarHBondContact OD1-N 2.89Å; N60-E64 PolarHBondContact ND2-O 2.83Å; N60-E64 PolarHBondContact OD1-N 3.12Å; N60-E64 PolarHBondContact OD1-O 2.96Å |
| 61 | D | 66.4 | Low | 82.6 | Confident | 116 Ų | 116 | 47.3 Ų | 47.3 | 62% | 0.62 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | 5.4 | 177.6 | -62.7 | -45.8 | 0 | 0 | 0 | 112.7 | L16 | L16-D61 HydrophobicContact CD2-CB 3.87Å; L16-D61 WeakPolarHBondContact CD2-OD1 3.21Å |
| 62 | Q | 70.3 | Confident | 82.4 | Confident | 137 Ų | 137 | 53.8 Ų | 53.8 | 64% | 0.64 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | -19.7 | -176.8 | -57.7 | -55.7 | -58.2 | 0 | 0 | 112.8 | R23 N60 | R23-Q62 PolarHBondContact NH1-O 3.38Å; N60-Q62 PolarHBondContact O-N 3.1Å; N60-Q62 WeakPolarHBondContact OD1-CA 3.45Å; N60-Q62 WeakPolarHBondContact OD1-CB 3.42Å; N60-Q62 PolarHBondContact OD1-N 2.66Å; N60-Q62 VanDerWaalsContact OD1-N 3.13Å |
| 63 | G | 78.8 | Confident | 82.4 | Confident | 13 Ų | 13 | 50.7 Ų | 50.7 | 13% | 0.134 | 25% | 0.245 | C | C | . | . | S | Bend | trans | 87.6 | 29.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y54 D58 N60 | Y54-G63 PolarHBondContact OH-O 3.3Å; D58-G63 VanDerWaalsContact CG-C 3.43Å; D58-G63 WeakPolarHBondContact OD2-CA 3.44Å; D58-G63 VanDerWaalsContact OD2-O 3.06Å; N60-G63 PolarHBondContact O-N 3.03Å; N60-G63 PolarHBondContact OD1-N 2.89Å |
| 64 | E | 88.9 | Confident | 82.5 | Confident | 63 Ų | 63 | 49.3 Ų | 49.3 | 29% | 0.294 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -131.7 | 149 | -176.8 | -60.6 | -172.5 | 162.1 | 0 | 0 | 112.5 | Y54 D58 N60 D66 S100 N102 | Y54-E64 WeakPolarHBondContact OH-CA 3.46Å; D58-E64 PolarHBondContact OD1-N 3.09Å; D58-E64 PolarHBondContact OD2-N 3.48Å; N60-E64 PolarHBondContact ND2-O 2.83Å; N60-E64 PolarHBondContact OD1-N 3.12Å; N60-E64 PolarHBondContact OD1-O 2.96Å; E64-D66 PolarHBondContact O-N 3.3Å; E64-S100 WeakPolarHBondContact OE2-CB 3.41Å; E64-S100 PolarHBondContact OE2-OG 3.33Å; E64-N102 HydrophobicContact CG-CB 4.36Å |
| 65 | I | 90.4 | Very high | 82.5 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | B | Isolated β-bridge | trans | -85.4 | 98.8 | 172.5 | -56.3 | 171.5 | 0 | 0 | 0 | 108.3 | Y54 F57 L70 S100 I101 F106 | Y54-I65 HydrophobicContact CD2-CD1 3.57Å; Y54-I65 HydrophobicContact CD2-CG1 4.11Å; Y54-I65 HydrophobicContact CE2-CD1 3.62Å; Y54-I65 HydrophobicContact CE2-CG1 3.73Å; F57-I65 HydrophobicContact CB-CD1 4.33Å; I65-L70 HydrophobicContact CG2-CB 4.17Å; I65-S100 WeakPolarHBondContact O-CA 3.37Å; I65-I101 HydrophobicContact CB-CB 4.24Å; I65-I101 PolarHBondContact N-O 2.8Å; I65-I101 PolarHBondContact O-N 2.89Å; I65-F106 HydrophobicContact CD1-CD2 4.34Å |
| 66 | D | 90.8 | Very high | 82.4 | Confident | 49 Ų | 49 | 60.6 Ų | 60.6 | 26% | 0.262 | 29% | 0.287 | S | S | . | . | trans | -82.8 | -179.5 | 171.2 | 67.8 | 19.1 | 0 | 0 | 0 | 112.1 | E64 M68 G69 L70 | E64-D66 PolarHBondContact O-N 3.3Å; D66-M68 PolarHBondContact O-N 2.83Å; D66-M68 WeakPolarHBondContact OD1-CA 3.39Å; D66-M68 WeakPolarHBondContact OD1-CB 3.36Å; D66-M68 PolarHBondContact OD1-N 2.75Å; D66-G69 PolarHBondContact O-N 3.42Å; D66-G69 PolarHBondContact OD1-N 2.81Å; D66-L70 WeakPolarHBondContact O-CB 3.2Å; D66-L70 PolarHBondContact O-N 2.85Å | ||
| 67 | M | 91.4 | Very high | 82.4 | Confident | 46 Ų | 46 | 58.8 Ų | 58.8 | 23% | 0.227 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -52.9 | -35.9 | 176.4 | -179.3 | 63.3 | 65.9 | 0 | 0 | 113.4 | K71 M86 K87 I90 | M67-K71 WeakPolarHBondContact O-CB 3.39Å; M67-K71 PolarHBondContact O-N 3.14Å; M67-M86 HydrophobicContact CE-CB 4.35Å; M67-M86 HydrophobicContact SD-CB 3.6Å; M67-M86 VanDerWaalsContact SD-CB 3.6Å; M67-M86 HydrophobicContact SD-CE 4.14Å; M67-M86 HydrophobicContact SD-SD 4.48Å; M67-K87 HydrophobicContact CE-CB 3.85Å; M67-K87 HydrophobicContact CE-CG 4.48Å; M67-I90 HydrophobicContact CB-CD1 4.46Å; M67-I90 HydrophobicContact CE-CD1 4.12Å |
| 68 | M | 88.8 | Confident | 82.7 | Confident | 149 Ų | 149 | 61.4 Ų | 61.4 | 73% | 0.734 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -77.5 | -40.7 | -177.9 | -170.1 | 170.3 | -177.5 | 0 | 0 | 111.2 | D66 K71 R72 | D66-M68 PolarHBondContact O-N 2.83Å; D66-M68 WeakPolarHBondContact OD1-CA 3.39Å; D66-M68 WeakPolarHBondContact OD1-CB 3.36Å; D66-M68 PolarHBondContact OD1-N 2.75Å; M68-K71 PolarHBondContact O-N 3.24Å; M68-R72 PolarHBondContact O-N 3.46Å |
| 69 | G | 88.7 | Confident | 83.5 | Confident | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -56.3 | -49.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | D66 K71 R72 M73 | D66-G69 PolarHBondContact O-N 3.42Å; D66-G69 PolarHBondContact OD1-N 2.81Å; G69-K71 PolarHBondContact O-N 2.98Å; G69-R72 PolarHBondContact O-N 2.84Å; G69-M73 WeakPolarHBondContact O-CB 3.48Å; G69-M73 PolarHBondContact O-N 3.4Å |
| 70 | L | 90.9 | Very high | 84.5 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 177.1 | -179.1 | 57.2 | 0 | 0 | 0 | 112.2 | I65 D66 R72 M73 M74 M86 M89 I90 L118 | I65-L70 HydrophobicContact CG2-CB 4.17Å; D66-L70 WeakPolarHBondContact O-CB 3.2Å; D66-L70 PolarHBondContact O-N 2.85Å; L70-R72 PolarHBondContact O-N 3.18Å; L70-M73 HydrophobicContact CD1-CE 3.21Å; L70-M73 HydrophobicContact CG-CE 4.49Å; L70-M73 WeakPolarHBondContact O-CB 3.36Å; L70-M73 PolarHBondContact O-N 3.37Å; L70-M74 HydrophobicContact CD1-CE 3.67Å; L70-M74 HydrophobicContact CD1-CG 4.27Å; L70-M74 VanDerWaalsContact O-CG 3.3Å; L70-M74 WeakPolarHBondContact O-CG 3.44Å; L70-M74 PolarHBondContact O-N 3.25Å; L70-M86 HydrophobicContact CD2-CB 3.82Å; L70-M86 HydrophobicContact CD2-CG 4.21Å; L70-M86 WeakPolarHBondContact CD2-O 3.47Å; L70-M86 HydrophobicContact CG-CB 4.32Å; L70-M86 HydrophobicContact CG-CG 4.24Å; L70-M86 HydrophobicContact CG-SD 4.47Å; L70-M89 HydrophobicContact CD1-CE 4.39Å; L70-M89 HydrophobicContact CD2-CB 4.16Å; L70-I90 HydrophobicContact CD2-CD1 3.89Å; L70-I90 HydrophobicContact CD2-CG1 3.51Å; L70-L118 HydrophobicContact CD1-CD1 4.01Å |
| 71 | K | 90.6 | Very high | 85.8 | Confident | 103 Ų | 103 | 66.9 Ų | 66.9 | 45% | 0.448 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.3 | -48.8 | 176.7 | -177.3 | -177.6 | 172.6 | -172.3 | 0 | 111.8 | M67 M68 G69 M73 M74 E75 M86 | M67-K71 WeakPolarHBondContact O-CB 3.39Å; M67-K71 PolarHBondContact O-N 3.14Å; M68-K71 PolarHBondContact O-N 3.24Å; G69-K71 PolarHBondContact O-N 2.98Å; K71-M73 VanDerWaalsContact C-N 3.3Å; K71-M73 PolarHBondContact O-N 3.45Å; K71-M74 PolarHBondContact O-N 2.95Å; K71-E75 WeakPolarHBondContact CE-OE1 3.46Å; K71-E75 IonicContact NZ-OE1 3.91Å; K71-E75 WeakPolarHBondContact O-CG 3.49Å; K71-E75 PolarHBondContact O-N 3.45Å; K71-M86 WeakPolarHBondContact CA-SD 3.46Å; K71-M86 HydrophobicContact CB-CE 4.09Å; K71-M86 HydrophobicContact CB-SD 3.7Å; K71-M86 HydrophobicContact CG-CE 4.15Å; K71-M86 HydrophobicContact CG-SD 4.14Å |
| 72 | R | 86.2 | Confident | 87.2 | Confident | 152 Ų | 152 | 65.1 Ų | 65.1 | 57% | 0.574 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -63.8 | -38.2 | -179.9 | -169.4 | -174.1 | 179 | -174.5 | -7.2 | 111.6 | L59 M68 G69 L70 E75 K76 | L59-R72 HydrophobicContact CD1-CB 3.98Å; L59-R72 HydrophobicContact CD1-CG 4.27Å; M68-R72 PolarHBondContact O-N 3.46Å; G69-R72 PolarHBondContact O-N 2.84Å; L70-R72 PolarHBondContact O-N 3.18Å; R72-E75 PolarHBondContact O-N 2.93Å; R72-K76 WeakPolarHBondContact O-CB 3.42Å; R72-K76 PolarHBondContact O-N 3.22Å |
| 73 | M | 87.3 | Confident | 88.3 | Confident | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.4 | -52 | 173 | 176.1 | 168.2 | 53.6 | 0 | 0 | 111 | F57 G69 L70 K71 E75 K76 L77 L118 M122 | F57-M73 HydrophobicContact CB-CB 4.35Å; F57-M73 HydrophobicContact CB-SD 4.14Å; F57-M73 HydrophobicContact CD1-CB 3.41Å; F57-M73 VanDerWaalsContact CD1-CB 3.41Å; F57-M73 HydrophobicContact CD1-CG 3.49Å; F57-M73 VanDerWaalsContact CD1-CG 3.49Å; F57-M73 HydrophobicContact CD1-SD 3.85Å; F57-M73 HydrophobicContact CD2-CG 4.13Å; F57-M73 HydrophobicContact CD2-SD 3.38Å; F57-M73 WeakPolarHBondContact CD2-SD 3.48Å; F57-M73 HydrophobicContact CE1-CB 3.82Å; F57-M73 HydrophobicContact CE1-CG 3.49Å; F57-M73 VanDerWaalsContact CE1-CG 3.49Å; F57-M73 HydrophobicContact CE1-SD 4.07Å; F57-M73 HydrophobicContact CE2-CG 4.13Å; F57-M73 HydrophobicContact CE2-SD 3.64Å; F57-M73 HydrophobicContact CG-CB 3.9Å; F57-M73 HydrophobicContact CG-CG 3.83Å; F57-M73 HydrophobicContact CG-SD 3.5Å; F57-M73 WeakPolarHBondContact CG-SD 3.42Å; F57-M73 HydrophobicContact CZ-CG 3.82Å; F57-M73 HydrophobicContact CZ-SD 3.98Å; G69-M73 WeakPolarHBondContact O-CB 3.48Å; G69-M73 PolarHBondContact O-N 3.4Å; L70-M73 HydrophobicContact CD1-CE 3.21Å; L70-M73 HydrophobicContact CG-CE 4.49Å; L70-M73 WeakPolarHBondContact O-CB 3.36Å; L70-M73 PolarHBondContact O-N 3.37Å; K71-M73 VanDerWaalsContact C-N 3.3Å; K71-M73 PolarHBondContact O-N 3.45Å; M73-E75 VanDerWaalsContact C-N 3.3Å; M73-E75 PolarHBondContact O-N 3.48Å; M73-K76 PolarHBondContact O-N 2.97Å; M73-K76 VanDerWaalsContact O-N 3.14Å; M73-L77 HydrophobicContact CG-CD1 3.68Å; M73-L77 HydrophobicContact CG-CG 4.33Å; M73-L77 WeakPolarHBondContact O-CB 3.41Å; M73-L77 VanDerWaalsContact O-CG 3.23Å; M73-L77 WeakPolarHBondContact O-CG 3.39Å; M73-L77 PolarHBondContact O-N 3.47Å; M73-L118 HydrophobicContact CE-CD1 3.29Å; M73-L118 HydrophobicContact CE-CD2 4.34Å; M73-L118 HydrophobicContact CE-CG 4.43Å; M73-L118 HydrophobicContact SD-CD1 4.1Å; M73-M122 HydrophobicContact CE-CE 4.14Å; M73-M122 HydrophobicContact SD-CE 3.29Å; M73-M122 WeakPolarHBondContact SD-CE 3.38Å |
| 74 | M | 89.5 | Confident | 89.1 | Confident | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.005 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.1 | -40.2 | 179.4 | -70 | -60.5 | 130 | 0 | 0 | 112.6 | L70 K71 G78 V79 K81 M89 L118 V121 | L70-M74 HydrophobicContact CD1-CE 3.67Å; L70-M74 HydrophobicContact CD1-CG 4.27Å; L70-M74 VanDerWaalsContact O-CG 3.3Å; L70-M74 WeakPolarHBondContact O-CG 3.44Å; L70-M74 PolarHBondContact O-N 3.25Å; K71-M74 PolarHBondContact O-N 2.95Å; M74-G78 PolarHBondContact O-N 2.97Å; M74-V79 WeakPolarHBondContact CB-O 3.35Å; M74-V79 CarbonylContact O-C 3.39Å; M74-V79 PolarHBondContact O-N 3.06Å; M74-K81 HydrophobicContact CG-CB 4.31Å; M74-K81 HydrophobicContact CG-CG 3.99Å; M74-K81 HydrophobicContact SD-CG 3.84Å; M74-M89 HydrophobicContact CE-CE 3.51Å; M74-M89 HydrophobicContact SD-CE 4.03Å; M74-L118 HydrophobicContact CE-CD1 3.57Å; M74-V121 HydrophobicContact CE-CB 4.41Å; M74-V121 HydrophobicContact CE-CG1 3.94Å; M74-V121 HydrophobicContact SD-CG1 4.28Å |
| 75 | E | 87.4 | Confident | 89.4 | Confident | 115 Ų | 115 | 69.4 Ų | 69.4 | 54% | 0.537 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.7 | -42.5 | 174.7 | -71.3 | 174.5 | 166 | 0 | 0 | 112.4 | K71 R72 M73 L77 G78 | K71-E75 WeakPolarHBondContact CE-OE1 3.46Å; K71-E75 IonicContact NZ-OE1 3.91Å; K71-E75 WeakPolarHBondContact O-CG 3.49Å; K71-E75 PolarHBondContact O-N 3.45Å; R72-E75 PolarHBondContact O-N 2.93Å; M73-E75 VanDerWaalsContact C-N 3.3Å; M73-E75 PolarHBondContact O-N 3.48Å; E75-L77 VanDerWaalsContact C-N 3.3Å; E75-L77 PolarHBondContact O-N 3.36Å; E75-G78 PolarHBondContact O-N 3.32Å |
| 76 | K | 83.1 | Confident | 89.6 | Confident | 137 Ų | 137 | 69.8 Ų | 69.8 | 60% | 0.596 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -63.2 | -38.9 | 177.8 | -174.3 | 174.9 | -178.5 | 179.8 | 0 | 111.4 | E56 F57 R72 M73 G78 | E56-K76 VanDerWaalsContact OE1-CE 3.29Å; E56-K76 WeakPolarHBondContact OE1-CE 3.18Å; E56-K76 IonicContact OE1-NZ 2.66Å; E56-K76 PolarHBondContact OE1-NZ 2.98Å; F57-K76 HydrophobicContact CE1-CD 4.46Å; R72-K76 WeakPolarHBondContact O-CB 3.42Å; R72-K76 PolarHBondContact O-N 3.22Å; M73-K76 PolarHBondContact O-N 2.97Å; M73-K76 VanDerWaalsContact O-N 3.14Å; K76-G78 PolarHBondContact O-N 3.03Å |
| 77 | L | 82.9 | Confident | 89.9 | Confident | 38 Ų | 38 | 72.7 Ų | 72.7 | 20% | 0.199 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -3.2 | 179.6 | -62.1 | 177.5 | 0 | 0 | 0 | 113.4 | M73 E75 V79 V121 E125 | M73-L77 HydrophobicContact CG-CD1 3.68Å; M73-L77 HydrophobicContact CG-CG 4.33Å; M73-L77 WeakPolarHBondContact O-CB 3.41Å; M73-L77 VanDerWaalsContact O-CG 3.23Å; M73-L77 WeakPolarHBondContact O-CG 3.39Å; M73-L77 PolarHBondContact O-N 3.47Å; E75-L77 VanDerWaalsContact C-N 3.3Å; E75-L77 PolarHBondContact O-N 3.36Å; L77-V79 PolarHBondContact O-N 2.88Å; L77-V121 HydrophobicContact CD1-CG1 3.44Å; L77-V121 VanDerWaalsContact CD1-CG1 3.44Å; L77-E125 HydrophobicContact CD2-CB 4.12Å; L77-E125 HydrophobicContact CD2-CG 3.5Å |
| 78 | G | 84.8 | Confident | 90.1 | Very high | 60 Ų | 60 | 77 Ų | 77 | 62% | 0.619 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.2 | 17.5 | -179 | 0 | 0 | 0 | 0 | 0 | 113.9 | M74 E75 K76 P80 | M74-G78 PolarHBondContact O-N 2.97Å; E75-G78 PolarHBondContact O-N 3.32Å; K76-G78 PolarHBondContact O-N 3.03Å; G78-P80 VanDerWaalsContact C-CD 3.41Å; G78-P80 WeakPolarHBondContact O-CD 3.23Å |
| 79 | V | 87.1 | Confident | 90.4 | Very high | 55 Ų | 55 | 70 Ų | 70 | 33% | 0.333 | 35% | 0.351 | S | S | . | . | trans | -113.9 | 72.8 | 177.9 | -171.5 | 0 | 0 | 0 | 0 | 108.4 | M74 L77 K81 V121 | M74-V79 WeakPolarHBondContact CB-O 3.35Å; M74-V79 CarbonylContact O-C 3.39Å; M74-V79 PolarHBondContact O-N 3.06Å; L77-V79 PolarHBondContact O-N 2.88Å; V79-K81 PolarHBondContact O-N 3.15Å; V79-V121 HydrophobicContact CG1-CG2 4.5Å | ||
| 80 | P | 85.6 | Confident | 90.6 | Very high | 106 Ų | 106 | 70.2 Ų | 70.2 | 69% | 0.688 | 35% | 0.351 | S | S | * | . | trans | -61.4 | 137.6 | -178.7 | 27.1 | -34.7 | 0 | 0 | 0 | 110.6 | G78 | G78-P80 VanDerWaalsContact C-CD 3.41Å; G78-P80 WeakPolarHBondContact O-CD 3.23Å | ||
| 81 | K | 91.5 | Very high | 90.9 | Very high | 62 Ų | 62 | 72.9 Ų | 72.9 | 27% | 0.27 | 37% | 0.37 | S | S | . | . | trans | -124.7 | 147.1 | 179.6 | -68.9 | -57.5 | -169.6 | 179.6 | 0 | 111 | M74 V79 E85 M86 M89 | M74-K81 HydrophobicContact CG-CB 4.31Å; M74-K81 HydrophobicContact CG-CG 3.99Å; M74-K81 HydrophobicContact SD-CG 3.84Å; V79-K81 PolarHBondContact O-N 3.15Å; K81-E85 HydrophobicContact CB-CB 4.24Å; K81-E85 HydrophobicContact CD-CB 4.31Å; K81-E85 WeakPolarHBondContact CD-OE1 3.38Å; K81-E85 IonicContact NZ-OE1 2.85Å; K81-E85 PolarHBondContact NZ-OE1 3Å; K81-E85 VanDerWaalsContact NZ-OE1 3.11Å; K81-M86 HydrophobicContact CB-CG 3.67Å; K81-M86 HydrophobicContact CB-SD 4.37Å; K81-M89 HydrophobicContact CG-SD 4.22Å | ||
| 82 | T | 95.7 | Very high | 91.1 | Very high | 80 Ų | 80 | 72.3 Ų | 72.3 | 49% | 0.491 | 37% | 0.369 | S | S | . | . | trans | -69.2 | 157.1 | 171 | 63 | 0 | 0 | 0 | 0 | 110.6 | L84 E85 M86 | T82-L84 PolarHBondContact O-N 3.26Å; T82-E85 WeakPolarHBondContact CB-OE2 3.45Å; T82-E85 WeakPolarHBondContact CG2-OE2 3.49Å; T82-E85 PolarHBondContact N-OE2 3.02Å; T82-E85 PolarHBondContact O-N 3.16Å; T82-E85 VanDerWaalsContact O-N 3.14Å; T82-E85 VanDerWaalsContact OG1-CG 3.27Å; T82-E85 WeakPolarHBondContact OG1-CG 3.29Å; T82-E85 PolarHBondContact OG1-N 2.79Å; T82-E85 PolarHBondContact OG1-OE2 3.2Å; T82-M86 WeakPolarHBondContact O-CG 3.43Å; T82-M86 PolarHBondContact O-N 3.36Å | ||
| 83 | H | 93.8 | Very high | 91.5 | Very high | 121 Ų | 121 | 65.6 Ų | 65.6 | 56% | 0.56 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -56.7 | -37.5 | 176.7 | -172.9 | 79 | 0 | 0 | 0 | 112.5 | M86 K87 | H83-M86 PolarHBondContact O-N 3.45Å; H83-K87 WeakPolarHBondContact O-CB 3.47Å; H83-K87 PolarHBondContact O-N 2.88Å |
| 84 | L | 95.6 | Very high | 91.8 | Very high | 110 Ų | 110 | 65.7 Ų | 65.7 | 58% | 0.576 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -67.2 | -41.8 | 177.2 | -178.3 | 62 | 0 | 0 | 0 | 112.3 | T82 K87 K88 | T82-L84 PolarHBondContact O-N 3.26Å; L84-K87 PolarHBondContact O-N 2.71Å; L84-K88 WeakPolarHBondContact O-CG 3.46Å; L84-K88 PolarHBondContact O-N 3.19Å |
| 85 | E | 95.4 | Very high | 92 | Very high | 72 Ų | 72 | 70.2 Ų | 70.2 | 34% | 0.336 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.1 | -46.4 | 174.3 | -74.9 | 168.8 | 106.5 | 0 | 0 | 111 | K81 T82 K87 K88 M89 | K81-E85 HydrophobicContact CB-CB 4.24Å; K81-E85 HydrophobicContact CD-CB 4.31Å; K81-E85 WeakPolarHBondContact CD-OE1 3.38Å; K81-E85 IonicContact NZ-OE1 2.85Å; K81-E85 PolarHBondContact NZ-OE1 3Å; K81-E85 VanDerWaalsContact NZ-OE1 3.11Å; T82-E85 WeakPolarHBondContact CB-OE2 3.45Å; T82-E85 WeakPolarHBondContact CG2-OE2 3.49Å; T82-E85 PolarHBondContact N-OE2 3.02Å; T82-E85 PolarHBondContact O-N 3.16Å; T82-E85 VanDerWaalsContact O-N 3.14Å; T82-E85 VanDerWaalsContact OG1-CG 3.27Å; T82-E85 WeakPolarHBondContact OG1-CG 3.29Å; T82-E85 PolarHBondContact OG1-N 2.79Å; T82-E85 PolarHBondContact OG1-OE2 3.2Å; E85-K87 VanDerWaalsContact C-N 3.32Å; E85-K87 PolarHBondContact O-N 2.81Å; E85-K88 WeakPolarHBondContact O-CB 3.3Å; E85-K88 PolarHBondContact O-N 3.18Å; E85-K88 VanDerWaalsContact O-N 3.13Å; E85-M89 VanDerWaalsContact O-CG 3.24Å; E85-M89 WeakPolarHBondContact O-CG 3.5Å; E85-M89 PolarHBondContact O-N 2.56Å |
| 86 | M | 95.3 | Very high | 92.1 | Very high | 8 Ų | 8 | 67.1 Ų | 67.1 | 4% | 0.039 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.1 | -41.1 | 178.1 | -68.6 | -174.8 | -67.4 | 0 | 0 | 111.9 | M67 L70 K71 K81 T82 H83 K88 M89 I90 | M67-M86 HydrophobicContact CE-CB 4.35Å; M67-M86 HydrophobicContact SD-CB 3.6Å; M67-M86 VanDerWaalsContact SD-CB 3.6Å; M67-M86 HydrophobicContact SD-CE 4.14Å; M67-M86 HydrophobicContact SD-SD 4.48Å; L70-M86 HydrophobicContact CD2-CB 3.82Å; L70-M86 HydrophobicContact CD2-CG 4.21Å; L70-M86 WeakPolarHBondContact CD2-O 3.47Å; L70-M86 HydrophobicContact CG-CB 4.32Å; L70-M86 HydrophobicContact CG-CG 4.24Å; L70-M86 HydrophobicContact CG-SD 4.47Å; K71-M86 WeakPolarHBondContact CA-SD 3.46Å; K71-M86 HydrophobicContact CB-CE 4.09Å; K71-M86 HydrophobicContact CB-SD 3.7Å; K71-M86 HydrophobicContact CG-CE 4.15Å; K71-M86 HydrophobicContact CG-SD 4.14Å; K81-M86 HydrophobicContact CB-CG 3.67Å; K81-M86 HydrophobicContact CB-SD 4.37Å; T82-M86 WeakPolarHBondContact O-CG 3.43Å; T82-M86 PolarHBondContact O-N 3.36Å; H83-M86 PolarHBondContact O-N 3.45Å; M86-K88 VanDerWaalsContact C-N 3.32Å; M86-K88 PolarHBondContact O-N 3.05Å; M86-M89 WeakPolarHBondContact O-CB 3.35Å; M86-M89 PolarHBondContact O-N 3.2Å; M86-I90 WeakPolarHBondContact O-CG1 3.03Å; M86-I90 PolarHBondContact O-N 3.44Å |
| 87 | K | 95.6 | Very high | 92.5 | Very high | 109 Ų | 109 | 67.6 Ų | 67.6 | 47% | 0.474 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.2 | -41.6 | 174.9 | -172.1 | 168.4 | -178.3 | 168.4 | 0 | 112 | M67 H83 L84 E85 I90 S91 | M67-K87 HydrophobicContact CE-CB 3.85Å; M67-K87 HydrophobicContact CE-CG 4.48Å; H83-K87 WeakPolarHBondContact O-CB 3.47Å; H83-K87 PolarHBondContact O-N 2.88Å; L84-K87 PolarHBondContact O-N 2.71Å; E85-K87 VanDerWaalsContact C-N 3.32Å; E85-K87 PolarHBondContact O-N 2.81Å; K87-I90 PolarHBondContact O-N 3.49Å; K87-S91 WeakPolarHBondContact O-CB 3.43Å; K87-S91 PolarHBondContact O-N 2.92Å |
| 88 | K | 95.6 | Very high | 93 | Very high | 136 Ų | 136 | 67.6 Ų | 67.6 | 59% | 0.591 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -64.8 | -39.5 | 174.8 | -73.2 | 179 | 178.2 | -175.8 | 0 | 111.9 | L84 E85 M86 S91 E92 | L84-K88 WeakPolarHBondContact O-CG 3.46Å; L84-K88 PolarHBondContact O-N 3.19Å; E85-K88 WeakPolarHBondContact O-CB 3.3Å; E85-K88 PolarHBondContact O-N 3.18Å; E85-K88 VanDerWaalsContact O-N 3.13Å; M86-K88 VanDerWaalsContact C-N 3.32Å; M86-K88 PolarHBondContact O-N 3.05Å; K88-S91 PolarHBondContact O-N 2.91Å; K88-E92 VanDerWaalsContact O-CB 3.29Å; K88-E92 WeakPolarHBondContact O-CB 3.47Å; K88-E92 PolarHBondContact O-N 3.4Å |
| 89 | M | 95.2 | Very high | 93.3 | Very high | 4 Ų | 4 | 70.8 Ų | 70.8 | 2% | 0.02 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.6 | -44.3 | 177.6 | -68.4 | 170.9 | 70.7 | 0 | 0 | 111.7 | L70 M74 K81 E85 M86 E92 V93 V117 L118 | L70-M89 HydrophobicContact CD1-CE 4.39Å; L70-M89 HydrophobicContact CD2-CB 4.16Å; M74-M89 HydrophobicContact CE-CE 3.51Å; M74-M89 HydrophobicContact SD-CE 4.03Å; K81-M89 HydrophobicContact CG-SD 4.22Å; E85-M89 VanDerWaalsContact O-CG 3.24Å; E85-M89 WeakPolarHBondContact O-CG 3.5Å; E85-M89 PolarHBondContact O-N 2.56Å; M86-M89 WeakPolarHBondContact O-CB 3.35Å; M86-M89 PolarHBondContact O-N 3.2Å; M89-E92 PolarHBondContact O-N 3.24Å; M89-V93 WeakPolarHBondContact O-CG2 3.46Å; M89-V93 PolarHBondContact O-N 2.98Å; M89-V117 HydrophobicContact CE-CB 4.24Å; M89-V117 HydrophobicContact CE-CG1 3.87Å; M89-V117 HydrophobicContact CG-CB 4.07Å; M89-V117 HydrophobicContact CG-CG1 4.25Å; M89-V117 HydrophobicContact SD-CB 4.48Å; M89-V117 HydrophobicContact SD-CG1 4.04Å; M89-L118 HydrophobicContact CE-CB 3.77Å; M89-L118 HydrophobicContact CE-CD1 4.1Å |
| 90 | I | 94.5 | Very high | 93.5 | Very high | 4 Ų | 4 | 69 Ų | 69 | 2% | 0.021 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.9 | -51.8 | 175.1 | -64.8 | 173.6 | 0 | 0 | 0 | 109.9 | M67 L70 M86 K87 E92 V93 T94 I101 | M67-I90 HydrophobicContact CB-CD1 4.46Å; M67-I90 HydrophobicContact CE-CD1 4.12Å; L70-I90 HydrophobicContact CD2-CD1 3.89Å; L70-I90 HydrophobicContact CD2-CG1 3.51Å; M86-I90 WeakPolarHBondContact O-CG1 3.03Å; M86-I90 PolarHBondContact O-N 3.44Å; K87-I90 PolarHBondContact O-N 3.49Å; I90-E92 PolarHBondContact O-N 2.93Å; I90-V93 PolarHBondContact O-N 3.14Å; I90-T94 HydrophobicContact CG2-CG2 4.03Å; I90-T94 WeakPolarHBondContact O-CG2 3.06Å; I90-T94 PolarHBondContact O-N 2.88Å; I90-T94 PolarHBondContact O-OG1 3.5Å; I90-T94 VanDerWaalsContact O-OG1 3.12Å; I90-I101 HydrophobicContact CB-CG1 4.44Å; I90-I101 HydrophobicContact CG1-CD1 4.23Å; I90-I101 HydrophobicContact CG1-CG1 4.32Å; I90-I101 HydrophobicContact CG2-CG1 4.09Å |
| 91 | S | 95.3 | Very high | 93.9 | Very high | 57 Ų | 57 | 64 Ų | 64 | 40% | 0.399 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.5 | -31.9 | -179.3 | -178.2 | 0 | 0 | 0 | 0 | 113.4 | K87 K88 V93 E95 G96 | K87-S91 WeakPolarHBondContact O-CB 3.43Å; K87-S91 PolarHBondContact O-N 2.92Å; K88-S91 PolarHBondContact O-N 2.91Å; S91-V93 VanDerWaalsContact C-N 3.35Å; S91-E95 CarbonylContact O-C 3.53Å; S91-E95 WeakPolarHBondContact O-CA 3.19Å; S91-E95 PolarHBondContact O-N 3.33Å; S91-G96 PolarHBondContact O-N 3.45Å |
| 92 | E | 95.1 | Very high | 93.9 | Very high | 90 Ų | 90 | 63.3 Ų | 63.3 | 42% | 0.421 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.4 | -39.1 | 175.9 | 178.6 | 176.4 | -149.9 | 0 | 0 | 111.3 | K88 M89 I90 A116 V117 | K88-E92 VanDerWaalsContact O-CB 3.29Å; K88-E92 WeakPolarHBondContact O-CB 3.47Å; K88-E92 PolarHBondContact O-N 3.4Å; M89-E92 PolarHBondContact O-N 3.24Å; I90-E92 PolarHBondContact O-N 2.93Å; E92-A116 HydrophobicContact CG-CB 4.18Å; E92-A116 WeakPolarHBondContact OE1-CA 3.48Å; E92-V117 PolarHBondContact OE2-N 3.42Å |
| 93 | V | 94.4 | Very high | 93.8 | Very high | 12 Ų | 12 | 59.9 Ų | 59.9 | 7% | 0.073 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -78.7 | -42.2 | -178.2 | 174.8 | 0 | 0 | 0 | 0 | 111.7 | M89 I90 S91 E95 I101 D105 M109 A116 L118 | M89-V93 WeakPolarHBondContact O-CG2 3.46Å; M89-V93 PolarHBondContact O-N 2.98Å; I90-V93 PolarHBondContact O-N 3.14Å; S91-V93 VanDerWaalsContact C-N 3.35Å; V93-E95 PolarHBondContact O-N 3.24Å; V93-I101 HydrophobicContact CB-CD1 4.06Å; V93-I101 HydrophobicContact CB-CG1 4.26Å; V93-I101 HydrophobicContact CG1-CB 4.5Å; V93-I101 HydrophobicContact CG1-CD1 4.08Å; V93-I101 HydrophobicContact CG1-CG1 4.1Å; V93-I101 HydrophobicContact CG1-CG2 3.65Å; V93-I101 HydrophobicContact CG2-CD1 4.27Å; V93-D105 HydrophobicContact CG1-CB 3.93Å; V93-M109 HydrophobicContact CG1-CB 4.16Å; V93-M109 HydrophobicContact CG1-SD 4.36Å; V93-M109 HydrophobicContact CG2-CB 4.45Å; V93-M109 HydrophobicContact CG2-CG 4.11Å; V93-M109 HydrophobicContact CG2-SD 3.4Å; V93-M109 WeakPolarHBondContact CG2-SD 3.33Å; V93-A116 HydrophobicContact CG2-CB 4.41Å; V93-L118 HydrophobicContact CG2-CD2 4.41Å |
| 94 | T | 94.8 | Very high | 93.8 | Very high | 3 Ų | 3 | 59.6 Ų | 59.6 | 2% | 0.018 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 2.6 | -179 | 65.7 | 0 | 0 | 0 | 0 | 113.3 | I90 G96 I97 S98 S100 I101 | I90-T94 HydrophobicContact CG2-CG2 4.03Å; I90-T94 WeakPolarHBondContact O-CG2 3.06Å; I90-T94 PolarHBondContact O-N 2.88Å; I90-T94 PolarHBondContact O-OG1 3.5Å; I90-T94 VanDerWaalsContact O-OG1 3.12Å; T94-G96 PolarHBondContact O-N 2.99Å; T94-G96 VanDerWaalsContact O-N 3.09Å; T94-G96 PolarHBondContact OG1-N 3.01Å; T94-I97 WeakPolarHBondContact O-CB 3.31Å; T94-I97 WeakPolarHBondContact O-CG1 3.33Å; T94-I97 PolarHBondContact O-N 2.61Å; T94-S98 WeakPolarHBondContact CB-O 3.31Å; T94-S98 PolarHBondContact OG1-O 3.33Å; T94-S100 WeakPolarHBondContact CG2-O 3.34Å; T94-I101 HydrophobicContact CG2-CG1 4.14Å |
| 95 | E | 92.3 | Very high | 93.7 | Very high | 95 Ų | 95 | 55.9 Ų | 55.9 | 44% | 0.444 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | 27.7 | -173 | -60.9 | 176.8 | 164.7 | 0 | 0 | 112.5 | S91 V93 I97 K108 R114 | S91-E95 CarbonylContact O-C 3.53Å; S91-E95 WeakPolarHBondContact O-CA 3.19Å; S91-E95 PolarHBondContact O-N 3.33Å; V93-E95 PolarHBondContact O-N 3.24Å; E95-I97 VanDerWaalsContact C-N 3.32Å; E95-K108 IonicContact OE1-NZ 3.6Å; E95-K108 PolarHBondContact OE1-NZ 3.43Å; E95-K108 IonicContact OE2-NZ 2.81Å; E95-K108 PolarHBondContact OE2-NZ 3.34Å; E95-K108 VanDerWaalsContact OE2-NZ 3.12Å; E95-R114 IonicContact OE1-NH1 2.82Å; E95-R114 PolarHBondContact OE1-NH1 3.21Å |
| 96 | G | 91 | Very high | 93.6 | Very high | 51 Ų | 51 | 52.5 Ų | 52.5 | 53% | 0.526 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | 10.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | S91 T94 | S91-G96 PolarHBondContact O-N 3.45Å; T94-G96 PolarHBondContact O-N 2.99Å; T94-G96 VanDerWaalsContact O-N 3.09Å; T94-G96 PolarHBondContact OG1-N 3.01Å |
| 97 | I | 91.7 | Very high | 93.5 | Very high | 146 Ų | 146 | 52.1 Ų | 52.1 | 75% | 0.749 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -87.2 | -28.6 | -175.9 | -55.7 | 169.9 | 0 | 0 | 0 | 111.5 | T94 E95 | T94-I97 WeakPolarHBondContact O-CB 3.31Å; T94-I97 WeakPolarHBondContact O-CG1 3.33Å; T94-I97 PolarHBondContact O-N 2.61Å; E95-I97 VanDerWaalsContact C-N 3.32Å |
| 98 | S | 92.4 | Very high | 93.4 | Very high | 39 Ų | 39 | 50.3 Ų | 50.3 | 27% | 0.273 | 26% | 0.264 | S | S | . | . | trans | -136.2 | 150.9 | -176.7 | -172.8 | 0 | 0 | 0 | 0 | 112.5 | T94 S100 | T94-S98 WeakPolarHBondContact CB-O 3.31Å; T94-S98 PolarHBondContact OG1-O 3.33Å; S98-S100 VanDerWaalsContact C-N 3.32Å; S98-S100 WeakPolarHBondContact CB-O 3.49Å; S98-S100 PolarHBondContact OG-N 3.45Å; S98-S100 VanDerWaalsContact OG-N 3.15Å; S98-S100 PolarHBondContact OG-O 2.98Å; S98-S100 PolarHBondContact OG-OG 2.97Å | ||
| 99 | D | 91.4 | Very high | 93.3 | Very high | 126 Ų | 126 | 44.6 Ų | 44.6 | 67% | 0.674 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -89.9 | 3.5 | 171.5 | -73.3 | -39.8 | 0 | 0 | 0 | 112.7 | ||
| 100 | S | 92.3 | Very high | 93.2 | Very high | 18 Ų | 18 | 45.7 Ų | 45.7 | 13% | 0.126 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -134.1 | 147.7 | 173.6 | 55 | 0 | 0 | 0 | 0 | 110.5 | E64 I65 T94 S98 | E64-S100 WeakPolarHBondContact OE2-CB 3.41Å; E64-S100 PolarHBondContact OE2-OG 3.33Å; I65-S100 WeakPolarHBondContact O-CA 3.37Å; T94-S100 WeakPolarHBondContact CG2-O 3.34Å; S98-S100 VanDerWaalsContact C-N 3.32Å; S98-S100 WeakPolarHBondContact CB-O 3.49Å; S98-S100 PolarHBondContact OG-N 3.45Å; S98-S100 VanDerWaalsContact OG-N 3.15Å; S98-S100 PolarHBondContact OG-O 2.98Å; S98-S100 PolarHBondContact OG-OG 2.97Å |
| 101 | I | 92.9 | Very high | 93 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | B | Isolated β-bridge | trans | -95.5 | 115 | 178 | -55.5 | 171.4 | 0 | 0 | 0 | 108.2 | Y54 I65 I90 V93 T94 D105 F106 L118 | Y54-I101 PolarHBondContact OH-O 3.24Å; I65-I101 HydrophobicContact CB-CB 4.24Å; I65-I101 PolarHBondContact N-O 2.8Å; I65-I101 PolarHBondContact O-N 2.89Å; I90-I101 HydrophobicContact CB-CG1 4.44Å; I90-I101 HydrophobicContact CG1-CD1 4.23Å; I90-I101 HydrophobicContact CG1-CG1 4.32Å; I90-I101 HydrophobicContact CG2-CG1 4.09Å; V93-I101 HydrophobicContact CB-CD1 4.06Å; V93-I101 HydrophobicContact CB-CG1 4.26Å; V93-I101 HydrophobicContact CG1-CB 4.5Å; V93-I101 HydrophobicContact CG1-CD1 4.08Å; V93-I101 HydrophobicContact CG1-CG1 4.1Å; V93-I101 HydrophobicContact CG1-CG2 3.65Å; V93-I101 HydrophobicContact CG2-CD1 4.27Å; T94-I101 HydrophobicContact CG2-CG1 4.14Å; I101-D105 HydrophobicContact CG2-CB 4Å; I101-F106 HydrophobicContact CG2-CB 4.15Å; I101-L118 HydrophobicContact CD1-CD2 3.65Å |
| 102 | N | 92.7 | Very high | 92.8 | Very high | 48 Ų | 48 | 44.8 Ų | 44.8 | 26% | 0.257 | 24% | 0.242 | S | C | . | . | trans | -81.6 | 170.2 | 169.8 | 65.9 | 56.3 | 0 | 0 | 0 | 111 | E64 R104 D105 F106 | E64-N102 HydrophobicContact CG-CB 4.36Å; N102-R104 VanDerWaalsContact C-N 3.3Å; N102-R104 PolarHBondContact O-N 3.18Å; N102-R104 WeakPolarHBondContact OD1-CA 3.41Å; N102-R104 WeakPolarHBondContact OD1-CB 3.35Å; N102-R104 PolarHBondContact OD1-N 3.29Å; N102-D105 VanDerWaalsContact CG-OD2 3.23Å; N102-D105 PolarHBondContact ND2-OD2 3.35Å; N102-D105 PolarHBondContact O-N 2.91Å; N102-D105 PolarHBondContact OD1-N 3.43Å; N102-D105 PolarHBondContact OD1-OD2 3.22Å; N102-F106 PolarHBondContact O-N 3.18Å | ||
| 103 | Y | 92.3 | Very high | 92.3 | Very high | 8 Ų | 8 | 50.8 Ų | 50.8 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.4 | -32 | -177 | -173.9 | -116.5 | 0 | 0 | 0 | 113.8 | C24 I27 N28 L47 K51 Y54 F106 V107 | C24-Y103 HydrophobicContact CB-CD1 3.94Å; C24-Y103 HydrophobicContact CB-CE1 3.82Å; C24-Y103 HydrophobicContact CB-CE2 4.4Å; C24-Y103 HydrophobicContact CB-CG 4.3Å; C24-Y103 WeakPolarHBondContact O-CE1 3.48Å; I27-Y103 HydrophobicContact CB-CD1 3.8Å; I27-Y103 HydrophobicContact CB-CE1 4.07Å; I27-Y103 HydrophobicContact CD1-CD1 3.83Å; I27-Y103 HydrophobicContact CG1-CD1 4.42Å; I27-Y103 HydrophobicContact CG2-CD1 3.6Å; I27-Y103 HydrophobicContact CG2-CE1 3.88Å; N28-Y103 PolarHBondContact ND2-OH 2.98Å; N28-Y103 WeakPolarHBondContact OD1-CE1 3.36Å; N28-Y103 PolarHBondContact OD1-OH 3.16Å; L47-Y103 PolarHBondContact O-OH 3.18Å; K51-Y103 HydrophobicContact CB-CE2 4.5Å; K51-Y103 PolarHBondContact N-OH 3.03Å; Y54-Y103 AromaticContact CD1-CD2 3.73Å; Y54-Y103 HydrophobicContact CD1-CD2 3.73Å; Y54-Y103 HydrophobicContact CD1-CE2 4.49Å; Y54-Y103 HydrophobicContact CD1-CG 4.47Å; Y54-Y103 AromaticContact CD2-CD2 3.85Å; Y54-Y103 HydrophobicContact CD2-CD2 3.85Å; Y54-Y103 HydrophobicContact CE1-CD2 4.17Å; Y54-Y103 HydrophobicContact CE2-CD2 4.26Å; Y54-Y103 AromaticContact CG-CD2 3.56Å; Y54-Y103 HydrophobicContact CG-CD2 3.56Å; Y54-Y103 HydrophobicContact CG-CE2 4.15Å; Y54-Y103 PolarHBondContact OH-N 3.44Å; Y103-F106 HydrophobicContact CD2-CD1 4.43Å; Y103-F106 HydrophobicContact CE2-CD1 4.38Å; Y103-F106 WeakPolarHBondContact O-CB 3.45Å; Y103-F106 PolarHBondContact O-N 2.85Å; Y103-V107 HydrophobicContact CD1-CG2 4.26Å; Y103-V107 HydrophobicContact CD2-CG2 4.3Å; Y103-V107 HydrophobicContact CE1-CG2 3.77Å; Y103-V107 HydrophobicContact CE2-CG2 3.82Å; Y103-V107 HydrophobicContact CG-CG2 4.5Å; Y103-V107 WeakPolarHBondContact O-CG2 3.29Å; Y103-V107 PolarHBondContact O-N 2.96Å |
| 104 | R | 93 | Very high | 92 | Very high | 115 Ų | 115 | 58.9 Ų | 58.9 | 43% | 0.434 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -68.7 | -43.3 | 177.9 | -65.8 | -178.9 | 177.3 | -144.3 | -4 | 111.4 | I27 E30 Y31 N102 F106 V107 K108 | I27-R104 HydrophobicContact CD1-CG 4.21Å; I27-R104 HydrophobicContact CG1-CG 4.47Å; I27-R104 HydrophobicContact CG2-CG 3.82Å; E30-R104 IonicContact OE1-NH2 3.12Å; E30-R104 PolarHBondContact OE1-NH2 3.38Å; E30-R104 IonicContact OE2-CZ 2.83Å; E30-R104 IonicContact OE2-NH1 3.11Å; E30-R104 IonicContact OE2-NH2 2.85Å; E30-R104 PolarHBondContact OE2-NH2 3.19Å; Y31-R104 HydrophobicContact CE2-CG 4.43Å; Y31-R104 WeakPolarHBondContact OH-CA 3.5Å; Y31-R104 PolarHBondContact OH-O 3.18Å; N102-R104 VanDerWaalsContact C-N 3.3Å; N102-R104 PolarHBondContact O-N 3.18Å; N102-R104 WeakPolarHBondContact OD1-CA 3.41Å; N102-R104 WeakPolarHBondContact OD1-CB 3.35Å; N102-R104 PolarHBondContact OD1-N 3.29Å; R104-F106 VanDerWaalsContact C-N 3.26Å; R104-F106 PolarHBondContact O-N 3.13Å; R104-V107 PolarHBondContact O-N 2.92Å; R104-K108 VanDerWaalsContact O-CB 3.23Å; R104-K108 WeakPolarHBondContact O-CB 3.31Å; R104-K108 PolarHBondContact O-N 3.44Å |
| 105 | D | 94.3 | Very high | 91.7 | Very high | 32 Ų | 32 | 63 Ų | 63 | 17% | 0.171 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.7 | -40.7 | 175.5 | -64.4 | -30.7 | 0 | 0 | 0 | 110.6 | V93 I101 N102 K108 M109 | V93-D105 HydrophobicContact CG1-CB 3.93Å; I101-D105 HydrophobicContact CG2-CB 4Å; N102-D105 VanDerWaalsContact CG-OD2 3.23Å; N102-D105 PolarHBondContact ND2-OD2 3.35Å; N102-D105 PolarHBondContact O-N 2.91Å; N102-D105 PolarHBondContact OD1-N 3.43Å; N102-D105 PolarHBondContact OD1-OD2 3.22Å; D105-K108 PolarHBondContact O-N 2.57Å; D105-M109 WeakPolarHBondContact O-CB 3.43Å; D105-M109 PolarHBondContact O-N 3.23Å |
| 106 | F | 92.8 | Very high | 91.7 | Very high | 1 Ų | 1 | 58.8 Ų | 58.8 | 0% | 0.004 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60 | -52.3 | 175.5 | -172.9 | -100.9 | 0 | 0 | 0 | 112.9 | F50 Y54 I65 I101 N102 Y103 R104 K108 M109 M110 M122 | F50-F106 HydrophobicContact CB-CD1 4.34Å; F50-F106 HydrophobicContact CB-CE1 3.94Å; Y54-F106 HydrophobicContact CD2-CB 3.9Å; Y54-F106 AromaticContact CD2-CD1 3.92Å; Y54-F106 HydrophobicContact CD2-CD1 3.92Å; Y54-F106 HydrophobicContact CD2-CD2 4.09Å; Y54-F106 HydrophobicContact CD2-CE1 4.48Å; Y54-F106 AromaticContact CD2-CG 3.69Å; Y54-F106 HydrophobicContact CD2-CG 3.69Å; Y54-F106 HydrophobicContact CE2-CB 4.06Å; Y54-F106 HydrophobicContact CE2-CG 4.31Å; Y54-F106 HydrophobicContact CG-CD1 4.48Å; I65-F106 HydrophobicContact CD1-CD2 4.34Å; I101-F106 HydrophobicContact CG2-CB 4.15Å; N102-F106 PolarHBondContact O-N 3.18Å; Y103-F106 HydrophobicContact CD2-CD1 4.43Å; Y103-F106 HydrophobicContact CE2-CD1 4.38Å; Y103-F106 WeakPolarHBondContact O-CB 3.45Å; Y103-F106 PolarHBondContact O-N 2.85Å; R104-F106 VanDerWaalsContact C-N 3.26Å; R104-F106 PolarHBondContact O-N 3.13Å; F106-K108 PolarHBondContact O-N 3.24Å; F106-M109 HydrophobicContact CD2-CE 3.82Å; F106-M109 HydrophobicContact CE2-CE 3.79Å; F106-M109 WeakPolarHBondContact O-CB 3.44Å; F106-M109 PolarHBondContact O-N 3.2Å; F106-M110 HydrophobicContact CD1-CG 4.38Å; F106-M110 HydrophobicContact CE1-CG 4.03Å; F106-M110 HydrophobicContact CZ-CG 4.14Å; F106-M110 WeakPolarHBondContact O-CG 3.37Å; F106-M110 PolarHBondContact O-N 3.01Å; F106-M122 HydrophobicContact CE2-CE 3.33Å; F106-M122 HydrophobicContact CE2-SD 3.34Å; F106-M122 WeakPolarHBondContact CE2-SD 3.16Å; F106-M122 HydrophobicContact CZ-CE 3.58Å; F106-M122 HydrophobicContact CZ-SD 3.34Å; F106-M122 WeakPolarHBondContact CZ-SD 3.14Å |
| 107 | V | 93.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.6 | -41.9 | 178.2 | 173.3 | 0 | 0 | 0 | 0 | 111 | Y31 L47 Y103 R104 M109 M110 L111 | Y31-V107 HydrophobicContact CD1-CG1 3.8Å; Y31-V107 HydrophobicContact CD2-CG1 4.05Å; Y31-V107 HydrophobicContact CE1-CB 4.31Å; Y31-V107 HydrophobicContact CE1-CG1 3.58Å; Y31-V107 HydrophobicContact CE2-CB 4.06Å; Y31-V107 HydrophobicContact CE2-CG1 3.88Å; Y31-V107 HydrophobicContact CG-CG1 4.05Å; L47-V107 HydrophobicContact CD2-CG1 3.51Å; L47-V107 HydrophobicContact CD2-CG2 4.3Å; Y103-V107 HydrophobicContact CD1-CG2 4.26Å; Y103-V107 HydrophobicContact CD2-CG2 4.3Å; Y103-V107 HydrophobicContact CE1-CG2 3.77Å; Y103-V107 HydrophobicContact CE2-CG2 3.82Å; Y103-V107 HydrophobicContact CG-CG2 4.5Å; Y103-V107 WeakPolarHBondContact O-CG2 3.29Å; Y103-V107 PolarHBondContact O-N 2.96Å; R104-V107 PolarHBondContact O-N 2.92Å; V107-M109 VanDerWaalsContact C-N 3.31Å; V107-M109 PolarHBondContact O-N 3.39Å; V107-M110 PolarHBondContact O-N 3.49Å; V107-M110 VanDerWaalsContact O-N 3.15Å; V107-L111 HydrophobicContact CG1-CD1 3.63Å; V107-L111 HydrophobicContact CG1-CG 4.19Å; V107-L111 WeakPolarHBondContact O-CB 3.49Å; V107-L111 PolarHBondContact O-N 3.5Å |
| 108 | K | 93.3 | Very high | 91.7 | Very high | 72 Ų | 72 | 52.3 Ų | 52.3 | 31% | 0.313 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.3 | -39.8 | 176.2 | -177.4 | -177.7 | 168.7 | -165 | 0 | 111.6 | E95 R104 D105 F106 G112 | E95-K108 IonicContact OE1-NZ 3.6Å; E95-K108 PolarHBondContact OE1-NZ 3.43Å; E95-K108 IonicContact OE2-NZ 2.81Å; E95-K108 PolarHBondContact OE2-NZ 3.34Å; E95-K108 VanDerWaalsContact OE2-NZ 3.12Å; R104-K108 VanDerWaalsContact O-CB 3.23Å; R104-K108 WeakPolarHBondContact O-CB 3.31Å; R104-K108 PolarHBondContact O-N 3.44Å; D105-K108 PolarHBondContact O-N 2.57Å; F106-K108 PolarHBondContact O-N 3.24Å; K108-G112 VanDerWaalsContact O-CA 3.27Å; K108-G112 WeakPolarHBondContact O-CA 3.43Å; K108-G112 PolarHBondContact O-N 3.18Å |
| 109 | M | 94.3 | Very high | 91.7 | Very high | 15 Ų | 15 | 51.7 Ų | 51.7 | 7% | 0.074 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.3 | -48.4 | 173 | 175.9 | -163.3 | 65.2 | 0 | 0 | 110.9 | V93 D105 F106 V107 G112 A116 L118 K119 M122 | V93-M109 HydrophobicContact CG1-CB 4.16Å; V93-M109 HydrophobicContact CG1-SD 4.36Å; V93-M109 HydrophobicContact CG2-CB 4.45Å; V93-M109 HydrophobicContact CG2-CG 4.11Å; V93-M109 HydrophobicContact CG2-SD 3.4Å; V93-M109 WeakPolarHBondContact CG2-SD 3.33Å; D105-M109 WeakPolarHBondContact O-CB 3.43Å; D105-M109 PolarHBondContact O-N 3.23Å; F106-M109 HydrophobicContact CD2-CE 3.82Å; F106-M109 HydrophobicContact CE2-CE 3.79Å; F106-M109 WeakPolarHBondContact O-CB 3.44Å; F106-M109 PolarHBondContact O-N 3.2Å; V107-M109 VanDerWaalsContact C-N 3.31Å; V107-M109 PolarHBondContact O-N 3.39Å; M109-G112 PolarHBondContact O-N 3.41Å; M109-A116 HydrophobicContact CG-CB 3.9Å; M109-A116 HydrophobicContact SD-CB 4.01Å; M109-L118 HydrophobicContact CE-CB 4.48Å; M109-L118 HydrophobicContact CE-CD2 4.06Å; M109-L118 HydrophobicContact CE-CG 3.98Å; M109-L118 HydrophobicContact SD-CB 3.8Å; M109-L118 HydrophobicContact SD-CD2 4Å; M109-L118 HydrophobicContact SD-CG 3.92Å; M109-K119 HydrophobicContact CE-CB 4.49Å; M109-K119 HydrophobicContact CG-CB 3.97Å; M109-K119 WeakPolarHBondContact O-CD 3.07Å; M109-K119 PolarHBondContact O-NZ 3.47Å; M109-K119 HydrophobicContact SD-CB 4.08Å; M109-M122 HydrophobicContact CE-SD 4.36Å |
| 110 | M | 92.3 | Very high | 91.7 | Very high | 28 Ų | 28 | 49.4 Ų | 49.4 | 14% | 0.138 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.4 | -39.2 | -175.4 | -67.8 | -61.1 | -77.2 | 0 | 0 | 113.4 | F50 F106 V107 K119 M122 | F50-M110 HydrophobicContact CD1-CB 4Å; F50-M110 HydrophobicContact CD1-CE 3.75Å; F50-M110 HydrophobicContact CD1-CG 4Å; F50-M110 HydrophobicContact CD2-CB 3.9Å; F50-M110 HydrophobicContact CE1-CB 3.69Å; F50-M110 HydrophobicContact CE1-CE 3.41Å; F50-M110 VanDerWaalsContact CE1-CE 3.41Å; F50-M110 HydrophobicContact CE1-CG 4.05Å; F50-M110 HydrophobicContact CE2-CB 3.57Å; F50-M110 HydrophobicContact CG-CB 4.13Å; F50-M110 HydrophobicContact CG-CG 4.27Å; F50-M110 HydrophobicContact CZ-CB 3.47Å; F50-M110 VanDerWaalsContact CZ-CB 3.47Å; F50-M110 HydrophobicContact CZ-CE 4.27Å; F50-M110 HydrophobicContact CZ-CG 4.33Å; F106-M110 HydrophobicContact CD1-CG 4.38Å; F106-M110 HydrophobicContact CE1-CG 4.03Å; F106-M110 HydrophobicContact CZ-CG 4.14Å; F106-M110 WeakPolarHBondContact O-CG 3.37Å; F106-M110 PolarHBondContact O-N 3.01Å; V107-M110 PolarHBondContact O-N 3.49Å; V107-M110 VanDerWaalsContact O-N 3.15Å; M110-K119 WeakPolarHBondContact O-CE 3.42Å; M110-K119 PolarHBondContact O-NZ 2.97Å; M110-K119 HydrophobicContact SD-CG 4.16Å; M110-M122 HydrophobicContact CE-CB 4.26Å; M110-M122 HydrophobicContact CE-SD 4.49Å; M110-M122 HydrophobicContact SD-CB 4.43Å; M110-M122 HydrophobicContact SD-SD 4.07Å |
| 111 | L | 91.8 | Very high | 91.6 | Very high | 16 Ų | 16 | 49.6 Ų | 49.6 | 8% | 0.084 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -82.7 | -23.9 | 175.3 | -64.3 | 176.3 | 0 | 0 | 0 | 113.1 | Y31 Y37 L43 K46 L47 F50 V107 | Y31-L111 HydrophobicContact CD1-CD1 4.32Å; Y37-L111 HydrophobicContact CD1-CB 4.3Å; Y37-L111 HydrophobicContact CD1-CD1 3.74Å; Y37-L111 HydrophobicContact CE1-CB 3.97Å; Y37-L111 HydrophobicContact CE1-CD1 3.81Å; Y37-L111 HydrophobicContact CG-CD1 4.26Å; L43-L111 HydrophobicContact CD1-CD1 3.69Å; L43-L111 HydrophobicContact CD1-CD2 3.77Å; L43-L111 HydrophobicContact CD1-CG 4.41Å; K46-L111 HydrophobicContact CD-CD2 4.24Å; L47-L111 HydrophobicContact CD2-CD1 4.24Å; F50-L111 HydrophobicContact CE2-CD2 3.75Å; F50-L111 HydrophobicContact CE2-CG 3.95Å; F50-L111 HydrophobicContact CZ-CD2 4.35Å; V107-L111 HydrophobicContact CG1-CD1 3.63Å; V107-L111 HydrophobicContact CG1-CG 4.19Å; V107-L111 WeakPolarHBondContact O-CB 3.49Å; V107-L111 PolarHBondContact O-N 3.5Å |
| 112 | G | 89.5 | Confident | 91.2 | Very high | 26 Ų | 26 | 49.8 Ų | 49.8 | 27% | 0.268 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -66.3 | 150.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | K108 M109 R114 K119 | K108-G112 VanDerWaalsContact O-CA 3.27Å; K108-G112 WeakPolarHBondContact O-CA 3.43Å; K108-G112 PolarHBondContact O-N 3.18Å; M109-G112 PolarHBondContact O-N 3.41Å; G112-R114 PolarHBondContact O-N 3Å; G112-K119 PolarHBondContact O-NZ 3.5Å |
| 113 | K | 86.3 | Confident | 90.8 | Very high | 215 Ų | 215 | 51.1 Ų | 51.1 | 94% | 0.935 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -71.5 | -16.9 | 174 | -60.2 | -178.5 | -177.5 | -179.5 | 0 | 113.3 | ||
| 114 | R | 87.8 | Confident | 90.1 | Very high | 183 Ų | 183 | 56.9 Ų | 56.9 | 69% | 0.691 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -69.4 | 134.4 | 178.5 | -65.5 | -175.6 | -174.6 | 150.6 | 0.3 | 109.5 | E95 G112 | E95-R114 IonicContact OE1-NH1 2.82Å; E95-R114 PolarHBondContact OE1-NH1 3.21Å; G112-R114 PolarHBondContact O-N 3Å |
| 115 | S | 88.1 | Confident | 89.1 | Confident | 89 Ų | 89 | 52.3 Ų | 52.3 | 62% | 0.622 | 26% | 0.259 | S | S | * | . | trans | -84.1 | 119.3 | 170.6 | -64.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 116 | A | 92.3 | Very high | 87.3 | Confident | 7 Ų | 7 | 55.6 Ų | 55.6 | 6% | 0.058 | 28% | 0.277 | C | S | . | . | trans | -108.5 | 149.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | E92 V93 M109 L118 K119 L120 | E92-A116 HydrophobicContact CG-CB 4.18Å; E92-A116 WeakPolarHBondContact OE1-CA 3.48Å; V93-A116 HydrophobicContact CG2-CB 4.41Å; M109-A116 HydrophobicContact CG-CB 3.9Å; M109-A116 HydrophobicContact SD-CB 4.01Å; A116-L118 PolarHBondContact O-N 2.71Å; A116-K119 HydrophobicContact CB-CB 4.17Å; A116-K119 WeakPolarHBondContact O-CB 3.46Å; A116-K119 PolarHBondContact O-N 2.97Å; A116-K119 VanDerWaalsContact O-N 3.12Å; A116-L120 PolarHBondContact O-N 2.96Å | ||
| 117 | V | 92.1 | Very high | 85.5 | Confident | 60 Ų | 60 | 63.6 Ų | 63.6 | 36% | 0.364 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -57.7 | -40.2 | 177.9 | 177.6 | 0 | 0 | 0 | 0 | 110.3 | M89 E92 L120 V121 | M89-V117 HydrophobicContact CE-CB 4.24Å; M89-V117 HydrophobicContact CE-CG1 3.87Å; M89-V117 HydrophobicContact CG-CB 4.07Å; M89-V117 HydrophobicContact CG-CG1 4.25Å; M89-V117 HydrophobicContact SD-CB 4.48Å; M89-V117 HydrophobicContact SD-CG1 4.04Å; E92-V117 PolarHBondContact OE2-N 3.42Å; V117-L120 PolarHBondContact O-N 3.42Å; V117-V121 WeakPolarHBondContact O-CG2 3.47Å; V117-V121 PolarHBondContact O-N 3.19Å |
| 118 | L | 91.2 | Very high | 83.5 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.7 | -42.7 | 178.6 | 179.9 | 57.5 | 0 | 0 | 0 | 112.2 | L70 M73 M74 M89 V93 I101 M109 A116 L120 V121 M122 | L70-L118 HydrophobicContact CD1-CD1 4.01Å; M73-L118 HydrophobicContact CE-CD1 3.29Å; M73-L118 HydrophobicContact CE-CD2 4.34Å; M73-L118 HydrophobicContact CE-CG 4.43Å; M73-L118 HydrophobicContact SD-CD1 4.1Å; M74-L118 HydrophobicContact CE-CD1 3.57Å; M89-L118 HydrophobicContact CE-CB 3.77Å; M89-L118 HydrophobicContact CE-CD1 4.1Å; V93-L118 HydrophobicContact CG2-CD2 4.41Å; I101-L118 HydrophobicContact CD1-CD2 3.65Å; M109-L118 HydrophobicContact CE-CB 4.48Å; M109-L118 HydrophobicContact CE-CD2 4.06Å; M109-L118 HydrophobicContact CE-CG 3.98Å; M109-L118 HydrophobicContact SD-CB 3.8Å; M109-L118 HydrophobicContact SD-CD2 4Å; M109-L118 HydrophobicContact SD-CG 3.92Å; A116-L118 PolarHBondContact O-N 2.71Å; L118-L120 VanDerWaalsContact C-N 3.33Å; L118-L120 PolarHBondContact O-N 3.36Å; L118-V121 PolarHBondContact O-N 2.99Å; L118-M122 HydrophobicContact CD1-CE 4.2Å; L118-M122 HydrophobicContact CD1-CG 4.48Å; L118-M122 WeakPolarHBondContact O-CG 2.92Å; L118-M122 PolarHBondContact O-N 3.46Å; L118-M122 VanDerWaalsContact O-N 3.09Å |
| 119 | K | 92.4 | Very high | 81.4 | Confident | 26 Ų | 26 | 68.1 Ų | 68.1 | 11% | 0.113 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.1 | -45.6 | 175.1 | -176.4 | -178.4 | -171.7 | 144.6 | 0 | 111.9 | M109 M110 G112 A116 M122 I123 | M109-K119 HydrophobicContact CE-CB 4.49Å; M109-K119 HydrophobicContact CG-CB 3.97Å; M109-K119 WeakPolarHBondContact O-CD 3.07Å; M109-K119 PolarHBondContact O-NZ 3.47Å; M109-K119 HydrophobicContact SD-CB 4.08Å; M110-K119 WeakPolarHBondContact O-CE 3.42Å; M110-K119 PolarHBondContact O-NZ 2.97Å; M110-K119 HydrophobicContact SD-CG 4.16Å; G112-K119 PolarHBondContact O-NZ 3.5Å; A116-K119 HydrophobicContact CB-CB 4.17Å; A116-K119 WeakPolarHBondContact O-CB 3.46Å; A116-K119 PolarHBondContact O-N 2.97Å; A116-K119 VanDerWaalsContact O-N 3.12Å; K119-M122 PolarHBondContact O-N 3.09Å; K119-I123 HydrophobicContact CD-CD1 4.35Å; K119-I123 HydrophobicContact CG-CD1 3.78Å; K119-I123 HydrophobicContact CG-CG1 4.47Å; K119-I123 WeakPolarHBondContact O-CG1 3.44Å; K119-I123 PolarHBondContact O-N 3.35Å |
| 120 | L | 90.8 | Very high | 79.2 | Confident | 78 Ų | 78 | 71.4 Ų | 71.4 | 41% | 0.408 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.3 | -51.3 | 178.9 | -68.2 | 168.7 | 0 | 0 | 0 | 110.2 | A116 V117 L118 M122 I123 F124 | A116-L120 PolarHBondContact O-N 2.96Å; V117-L120 PolarHBondContact O-N 3.42Å; L118-L120 VanDerWaalsContact C-N 3.33Å; L118-L120 PolarHBondContact O-N 3.36Å; L120-M122 PolarHBondContact O-N 2.95Å; L120-I123 PolarHBondContact O-N 3.46Å; L120-I123 VanDerWaalsContact O-N 3.13Å; L120-F124 HydrophobicContact CD2-CE2 4.46Å; L120-F124 WeakPolarHBondContact O-CD2 3.49Å; L120-F124 PolarHBondContact O-N 3.19Å |
| 121 | V | 89.2 | Confident | 76.9 | Confident | 22 Ų | 22 | 73.1 Ų | 73.1 | 13% | 0.133 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -53.1 | -42.8 | 178.8 | 169.8 | 0 | 0 | 0 | 0 | 111.5 | M74 L77 V79 V117 L118 F124 E125 | M74-V121 HydrophobicContact CE-CB 4.41Å; M74-V121 HydrophobicContact CE-CG1 3.94Å; M74-V121 HydrophobicContact SD-CG1 4.28Å; L77-V121 HydrophobicContact CD1-CG1 3.44Å; L77-V121 VanDerWaalsContact CD1-CG1 3.44Å; V79-V121 HydrophobicContact CG1-CG2 4.5Å; V117-V121 WeakPolarHBondContact O-CG2 3.47Å; V117-V121 PolarHBondContact O-N 3.19Å; L118-V121 PolarHBondContact O-N 2.99Å; V121-F124 PolarHBondContact O-N 3.07Å; V121-E125 PolarHBondContact O-N 3.5Å; V121-E125 VanDerWaalsContact O-N 3.16Å |
| 122 | M | 85.8 | Confident | 74.6 | Confident | 5 Ų | 5 | 79.3 Ų | 79.3 | 3% | 0.025 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -68.6 | -42.3 | 178.3 | -69.6 | -171 | 158.8 | 0 | 0 | 113.9 | F57 M73 F106 M109 M110 L118 K119 L120 F124 E125 | F57-M122 HydrophobicContact CD2-CE 3.99Å; F57-M122 HydrophobicContact CE2-CE 4.01Å; M73-M122 HydrophobicContact CE-CE 4.14Å; M73-M122 HydrophobicContact SD-CE 3.29Å; M73-M122 WeakPolarHBondContact SD-CE 3.38Å; F106-M122 HydrophobicContact CE2-CE 3.33Å; F106-M122 HydrophobicContact CE2-SD 3.34Å; F106-M122 WeakPolarHBondContact CE2-SD 3.16Å; F106-M122 HydrophobicContact CZ-CE 3.58Å; F106-M122 HydrophobicContact CZ-SD 3.34Å; F106-M122 WeakPolarHBondContact CZ-SD 3.14Å; M109-M122 HydrophobicContact CE-SD 4.36Å; M110-M122 HydrophobicContact CE-CB 4.26Å; M110-M122 HydrophobicContact CE-SD 4.49Å; M110-M122 HydrophobicContact SD-CB 4.43Å; M110-M122 HydrophobicContact SD-SD 4.07Å; L118-M122 HydrophobicContact CD1-CE 4.2Å; L118-M122 HydrophobicContact CD1-CG 4.48Å; L118-M122 WeakPolarHBondContact O-CG 2.92Å; L118-M122 PolarHBondContact O-N 3.46Å; L118-M122 VanDerWaalsContact O-N 3.09Å; K119-M122 PolarHBondContact O-N 3.09Å; L120-M122 PolarHBondContact O-N 2.95Å; M122-F124 VanDerWaalsContact C-N 3.26Å; M122-F124 PolarHBondContact O-N 3.49Å; M122-E125 WeakPolarHBondContact O-CB 3.47Å; M122-E125 PolarHBondContact O-N 3.29Å |
| 123 | I | 84.9 | Confident | 72.1 | Confident | 75 Ų | 75 | 84.3 Ų | 84.3 | 39% | 0.385 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.9 | -32.3 | 177.7 | -66.8 | 169.5 | 0 | 0 | 0 | 111.4 | K119 L120 | K119-I123 HydrophobicContact CD-CD1 4.35Å; K119-I123 HydrophobicContact CG-CD1 3.78Å; K119-I123 HydrophobicContact CG-CG1 4.47Å; K119-I123 WeakPolarHBondContact O-CG1 3.44Å; K119-I123 PolarHBondContact O-N 3.35Å; L120-I123 PolarHBondContact O-N 3.46Å; L120-I123 VanDerWaalsContact O-N 3.13Å |
| 124 | F | 76.4 | Confident | 70.6 | Confident | 130 Ų | 130 | 82.5 Ų | 82.5 | 57% | 0.57 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -77.5 | -22 | 177.2 | -81 | -76.5 | 0 | 0 | 0 | 113.3 | L120 V121 M122 K127 A128 | L120-F124 HydrophobicContact CD2-CE2 4.46Å; L120-F124 WeakPolarHBondContact O-CD2 3.49Å; L120-F124 PolarHBondContact O-N 3.19Å; V121-F124 PolarHBondContact O-N 3.07Å; M122-F124 VanDerWaalsContact C-N 3.26Å; M122-F124 PolarHBondContact O-N 3.49Å; F124-K127 PolarHBondContact O-N 2.99Å; F124-A128 WeakPolarHBondContact O-CB 3.38Å; F124-A128 PolarHBondContact O-N 3.26Å; F124-A128 VanDerWaalsContact O-N 3.09Å |
| 125 | E | 71.7 | Confident | 68.5 | Low | 18 Ų | 18 | 79.6 Ų | 79.6 | 8% | 0.084 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -60.7 | -48.1 | 173.2 | -172.6 | -165.5 | 159.1 | 0 | 0 | 111.6 | K53 L77 V121 M122 K127 A128 N129 | K53-E125 IonicContact NZ-OE1 2.61Å; K53-E125 PolarHBondContact NZ-OE1 3.5Å; K53-E125 IonicContact NZ-OE2 2.81Å; K53-E125 PolarHBondContact NZ-OE2 2.86Å; L77-E125 HydrophobicContact CD2-CB 4.12Å; L77-E125 HydrophobicContact CD2-CG 3.5Å; V121-E125 PolarHBondContact O-N 3.5Å; V121-E125 VanDerWaalsContact O-N 3.16Å; M122-E125 WeakPolarHBondContact O-CB 3.47Å; M122-E125 PolarHBondContact O-N 3.29Å; E125-K127 PolarHBondContact O-N 3.16Å; E125-K127 VanDerWaalsContact O-N 3.15Å; E125-A128 PolarHBondContact O-N 3.35Å; E125-N129 PolarHBondContact O-N 2.96Å; E125-N129 PolarHBondContact OE1-ND2 2.84Å |
| 126 | D | 57.8 | Low | 66.5 | Low | 102 Ų | 102 | 83.7 Ų | 83.7 | 55% | 0.545 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65 | -21.7 | -178.2 | -65.6 | -31.7 | 0 | 0 | 0 | 112.6 | K53 | K53-D126 IonicContact NZ-OD1 2.79Å; K53-D126 PolarHBondContact NZ-OD1 3.01Å |
| 127 | K | 54.3 | Low | 64.9 | Low | 169 Ų | 169 | 86 Ų | 86 | 74% | 0.735 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -86.8 | -25.4 | 173.4 | -72.3 | -176.9 | 169.6 | -178.4 | 0 | 113.7 | F124 E125 | F124-K127 PolarHBondContact O-N 2.99Å; E125-K127 PolarHBondContact O-N 3.16Å; E125-K127 VanDerWaalsContact O-N 3.15Å |
| 128 | A | 52.5 | Low | 63.2 | Low | 70 Ų | 70 | 89 Ų | 89 | 58% | 0.579 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -95.2 | -18.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | F124 E125 G130 | F124-A128 WeakPolarHBondContact O-CB 3.38Å; F124-A128 PolarHBondContact O-N 3.26Å; F124-A128 VanDerWaalsContact O-N 3.09Å; E125-A128 PolarHBondContact O-N 3.35Å; A128-G130 PolarHBondContact O-N 2.94Å |
| 129 | N | 49.1 | Very low | 61.9 | Low | 96 Ų | 96 | 94.5 Ų | 94.5 | 51% | 0.513 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.6 | 21.5 | -177.4 | -87 | -15.7 | 0 | 0 | 0 | 116.1 | E125 A131 | E125-N129 PolarHBondContact O-N 2.96Å; E125-N129 PolarHBondContact OE1-ND2 2.84Å; N129-A131 PolarHBondContact O-N 2.96Å |
| 130 | G | 46.8 | Very low | 60.7 | Low | 84 Ų | 84 | 98.9 Ų | 98.9 | 87% | 0.866 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -8 | 160.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | A128 | A128-G130 PolarHBondContact O-N 2.94Š|
| 131 | A | 45.2 | Very low | 59.6 | Low | 65 Ų | 65 | 104.2 Ų | 104.2 | 54% | 0.537 | 61% | 0.61 | S | S | . | * | S | Bend | trans | -151.8 | 137.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | N129 | N129-A131 PolarHBondContact O-N 2.96Š|
| 132 | I | 42.5 | Very low | 58.6 | Low | 146 Ų | 146 | 112.7 Ų | 112.7 | 75% | 0.749 | 64% | 0.64 | S | S | * | * | trans | 96.4 | 59.9 | 173.7 | -43.3 | 154.9 | 0 | 0 | 0 | 114.7 | ||||
| 133 | C | 38.1 | Very low | 58 | Low | 130 Ų | 130 | 117.8 Ų | 117.8 | 88% | 0.878 | 67% | 0.667 | S | S | * | * | trans | -75.9 | 110.3 | 143.4 | -90.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 134 | K | 54.6 | Low | 57.4 | Low | 177 Ų | 177 | 121.9 Ų | 121.9 | 77% | 0.77 | 69% | 0.688 | S | S | * | * | trans | -69.8 | 130.3 | 151.5 | -71.6 | 178.7 | -178 | 171.5 | 0 | 105.8 | D136 | K134-D136 PolarHBondContact O-N 3.14Š| ||
| 135 | P | 43.1 | Very low | 57.1 | Low | 122 Ų | 122 | 120.4 Ų | 120.4 | 79% | 0.792 | 70% | 0.7 | S | S | * | * | trans | -62.3 | 123.8 | -176.6 | 24.8 | -32.7 | 0 | 0 | 0 | 109.5 | G137 | P135-G137 PolarHBondContact O-N 2.83Š| ||
| 136 | D | 45.2 | Very low | 56.8 | Low | 175 Ų | 175 | 123 Ų | 123 | 94% | 0.936 | 72% | 0.72 | S | S | * | * | trans | -65.8 | 112.4 | 166.8 | -79.9 | -55.6 | 0 | 0 | 0 | 108.5 | K134 | K134-D136 PolarHBondContact O-N 3.14Š| ||
| 137 | G | 59.1 | Low | 57.4 | Low | 55 Ų | 55 | 123.6 Ų | 123.6 | 57% | 0.567 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -166.5 | 154.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | P135 | P135-G137 PolarHBondContact O-N 2.83Š|
| 138 | P | 56.8 | Low | 57.9 | Low | 125 Ų | 125 | 124.8 Ų | 124.8 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 138.1 | 170.7 | -20.7 | 30.7 | 0 | 0 | 0 | 109.3 | ||
| 139 | P | 62.9 | Low | 58.2 | Low | 114 Ų | 114 | 127.6 Ų | 127.6 | 74% | 0.74 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 135.3 | 174.7 | -23.8 | 30.9 | 0 | 0 | 0 | 109.5 | K141 | P139-K141 PolarHBondContact O-N 3.26Š|
| 140 | P | 69 | Low | 58.7 | Low | 118 Ų | 118 | 129.2 Ų | 129.2 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 133 | 175 | -22.7 | 30.8 | 0 | 0 | 0 | 109.1 | R142 | P140-R142 PolarHBondContact O-N 3.22Š|
| 141 | K | 66.8 | Low | 59.3 | Low | 190 Ų | 190 | 131.7 Ų | 131.7 | 83% | 0.826 | 76% | 0.763 | S | S | * | * | trans | -60.5 | 115.5 | 175.4 | -66.4 | -175.1 | -179.8 | 178.6 | 0 | 107.4 | P139 D143 | P139-K141 PolarHBondContact O-N 3.26Å; K141-D143 PolarHBondContact O-N 2.83Å | ||
| 142 | R | 67.3 | Low | 60.2 | Low | 201 Ų | 201 | 135.6 Ų | 135.6 | 76% | 0.758 | 78% | 0.777 | S | S | * | * | trans | -78.1 | 103.7 | 171.2 | -64.9 | -178.9 | 69.1 | 175.9 | 1.4 | 106.6 | P140 | P140-R142 PolarHBondContact O-N 3.22Š| ||
| 143 | D | 74.3 | Confident | 61.3 | Low | 112 Ų | 112 | 135 Ų | 135 | 60% | 0.599 | 78% | 0.779 | S | S | * | * | trans | -77.1 | 152 | 171.4 | -72 | -44.5 | 0 | 0 | 0 | 110.2 | K141 A145 S146 | K141-D143 PolarHBondContact O-N 2.83Å; D143-A145 PolarHBondContact O-N 2.88Å; D143-S146 VanDerWaalsContact O-CB 3.31Å; D143-S146 WeakPolarHBondContact O-CB 3.31Å; D143-S146 PolarHBondContact O-N 3.08Å; D143-S146 PolarHBondContact O-OG 2.98Å | ||
| 144 | I | 71.9 | Confident | 62.8 | Low | 161 Ų | 161 | 135.3 Ų | 135.3 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -52.5 | -24 | 178.8 | -80.9 | 163.9 | 0 | 0 | 0 | 112.8 | S146 | I144-S146 PolarHBondContact O-N 3.41Š|
| 145 | A | 69.1 | Low | 63.4 | Low | 99 Ų | 99 | 132.4 Ų | 132.4 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -68.9 | -6.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | D143 | D143-A145 PolarHBondContact O-N 2.88Š|
| 146 | S | 65.9 | Low | 64.9 | Low | 73 Ų | 73 | 133.2 Ų | 133.2 | 51% | 0.51 | 77% | 0.771 | S | S | . | * | G | 310 helix | trans | -107.2 | 13.4 | -175.4 | -40.8 | 0 | 0 | 0 | 0 | 113.6 | D143 I144 | D143-S146 VanDerWaalsContact O-CB 3.31Å; D143-S146 WeakPolarHBondContact O-CB 3.31Å; D143-S146 PolarHBondContact O-N 3.08Å; D143-S146 PolarHBondContact O-OG 2.98Å; I144-S146 PolarHBondContact O-N 3.41Å |
| 147 | L | 71.4 | Confident | 66.6 | Low | 113 Ų | 113 | 129.7 Ų | 129.7 | 59% | 0.592 | 76% | 0.757 | S | S | * | * | trans | -98.7 | 136.6 | 171.7 | -72.3 | 163 | 0 | 0 | 0 | 108.8 | ||||
| 148 | P | 64.6 | Low | 67.3 | Low | 195 Ų | 195 | 136.5 Ų | 136.5 | 100% | 1.266 | 77% | 0.774 | S | S | * | * | trans | -66.5 | 0 | 173.8 | 30.1 | -34.4 | 0 | 0 | 0 | 112.3 |
Retrieved 148 of 148 residues in 27.4 ms
(Link to these results)