| 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 | 32.8 | Very low | 56.4 | Low | 251 Ų | 251 | 115.4 Ų | 115.4 | 100% | 1.236 | 68% | 0.682 | S | S | * | * | 0 | 99.2 | 0 | -70.1 | 160.5 | 172.3 | 0 | 0 | 108.1 | |||||
| 2 | A | 38.4 | Very low | 58.7 | Low | 88 Ų | 88 | 111.2 Ų | 111.2 | 73% | 0.727 | 66% | 0.661 | S | S | * | * | trans | -158.4 | 101.8 | 163.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 3 | V | 42.1 | Very low | 60.9 | Low | 135 Ų | 135 | 104.2 Ų | 104.2 | 82% | 0.818 | 62% | 0.621 | S | S | * | * | trans | -78.4 | 121.7 | 173.8 | 157.2 | 0 | 0 | 0 | 0 | 107.3 | G5 | V3-G5 PolarHBondContact O-N 3.11Å; V3-G5 VanDerWaalsContact O-N 3.14Å | ||
| 4 | A | 46.3 | Very low | 62.8 | Low | 107 Ų | 107 | 106.9 Ų | 106.9 | 88% | 0.884 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | 108.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||
| 5 | G | 49.1 | Very low | 64.6 | Low | 71 Ų | 71 | 102.7 Ų | 102.7 | 73% | 0.732 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -175.5 | -35.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | V3 | V3-G5 PolarHBondContact O-N 3.11Å; V3-G5 VanDerWaalsContact O-N 3.14Å |
| 6 | S | 58.4 | Low | 66.1 | Low | 103 Ų | 103 | 98.2 Ų | 98.2 | 72% | 0.72 | 57% | 0.57 | S | S | * | * | trans | -170.4 | 87.1 | 168.4 | 54.1 | 0 | 0 | 0 | 0 | 106.2 | Q8 | S6-Q8 VanDerWaalsContact C-N 3.33Å; S6-Q8 PolarHBondContact O-N 3.08Å | ||
| 7 | W | 60.9 | Low | 67.4 | Low | 107 Ų | 107 | 99 Ų | 99 | 41% | 0.405 | 56% | 0.561 | S | S | . | * | trans | -71 | 97.2 | 177.3 | -176.5 | 82.3 | 0 | 0 | 0 | 107.6 | P9 N51 C52 W55 | W7-P9 HydrophobicContact CE3-CG 4.4Å; W7-P9 HydrophobicContact CH2-CB 4.43Å; W7-P9 HydrophobicContact CH2-CG 3.89Å; W7-P9 HydrophobicContact CZ3-CG 3.76Å; W7-N51 VanDerWaalsContact CH2-C 3.47Å; W7-N51 HydrophobicContact CH2-CB 3.39Å; W7-N51 HydrophobicContact CZ2-CB 3.91Å; W7-N51 HydrophobicContact CZ3-CB 3.78Å; W7-N51 WeakPolarHBondContact CZ3-O 3.38Å; W7-C52 HydrophobicContact CH2-CB 4.25Å; W7-W55 HydrophobicContact CE3-CB 4.03Å; W7-W55 HydrophobicContact CE3-CG 4.28Å; W7-W55 HydrophobicContact CZ3-CB 3.72Å; W7-W55 HydrophobicContact CZ3-CG 4.3Å; W7-W55 PolarHBondContact O-NE1 3.26Å | ||
| 8 | Q | 65.8 | Low | 68.8 | Low | 132 Ų | 132 | 96.6 Ų | 96.6 | 62% | 0.617 | 56% | 0.556 | S | S | * | * | trans | -102.5 | 125.1 | 170.9 | 178.5 | 167.9 | -2.3 | 0 | 0 | 107.8 | S6 W55 | S6-Q8 VanDerWaalsContact C-N 3.33Å; S6-Q8 PolarHBondContact O-N 3.08Å; Q8-W55 HydrophobicContact CB-CZ2 4.14Å; Q8-W55 HydrophobicContact CG-CH2 4Å; Q8-W55 HydrophobicContact CG-CZ2 3.62Å | ||
| 9 | P | 70.8 | Confident | 70 | Confident | 12 Ų | 12 | 95.7 Ų | 95.7 | 8% | 0.078 | 55% | 0.546 | C | S | . | . | trans | -58.3 | 127.2 | 174.9 | -17 | 26 | 0 | 0 | 0 | 109.7 | W7 R11 Y16 C52 W55 | W7-P9 HydrophobicContact CE3-CG 4.4Å; W7-P9 HydrophobicContact CH2-CB 4.43Å; W7-P9 HydrophobicContact CH2-CG 3.89Å; W7-P9 HydrophobicContact CZ3-CG 3.76Å; P9-R11 WeakPolarHBondContact CB-O 3.11Å; P9-R11 PolarHBondContact O-N 2.76Å; P9-Y16 HydrophobicContact CB-CE2 4.2Å; P9-C52 HydrophobicContact CG-CB 4.28Å; P9-C52 VanDerWaalsContact CG-SG 3.57Å; P9-W55 HydrophobicContact CG-CB 4.42Å; P9-W55 HydrophobicContact CG-CD2 3.97Å; P9-W55 HydrophobicContact CG-CE3 3.81Å; P9-W55 HydrophobicContact CG-CG 4.23Å; P9-W55 HydrophobicContact CG-CZ3 4.4Å | ||
| 10 | P | 76.3 | Confident | 71 | Confident | 109 Ų | 109 | 93.5 Ų | 93.5 | 71% | 0.708 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -69.2 | -12.2 | 177.8 | 26.9 | -34.1 | 0 | 0 | 0 | 113 | ||
| 11 | R | 79.4 | Confident | 72 | Confident | 154 Ų | 154 | 94.2 Ų | 94.2 | 58% | 0.581 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -134.1 | 151.5 | -177 | -54.7 | -67 | -84.6 | 179.8 | -5.4 | 109.3 | P9 V15 Y16 | P9-R11 WeakPolarHBondContact CB-O 3.11Å; P9-R11 PolarHBondContact O-N 2.76Å; R11-V15 HydrophobicContact CB-CB 4.41Å; R11-V15 HydrophobicContact CB-CG1 4.5Å; R11-Y16 HydrophobicContact CB-CE2 3.94Å; R11-Y16 WeakPolarHBondContact O-CE2 3.28Å |
| 12 | P | 83.7 | Confident | 74.7 | Confident | 65 Ų | 65 | 87 Ų | 87 | 42% | 0.422 | 49% | 0.493 | S | S | . | . | trans | -66.6 | 153.2 | 176.6 | 28.6 | -34.1 | 0 | 0 | 0 | 111.4 | E14 V15 | P12-E14 HydrophobicContact CB-CG 4Å; P12-E14 HydrophobicContact CG-CG 3.9Å; P12-E14 WeakPolarHBondContact CG-OE1 3.4Å; P12-E14 PolarHBondContact O-N 3.21Å; P12-E14 VanDerWaalsContact O-N 3.14Å; P12-V15 HydrophobicContact CG-CG2 3.87Å; P12-V15 PolarHBondContact O-N 2.73Å | ||
| 13 | C | 87.4 | Confident | 77.1 | Confident | 21 Ų | 21 | 83.1 Ų | 83.1 | 14% | 0.142 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -56.5 | -31.2 | -176.3 | -163.3 | 0 | 0 | 0 | 0 | 113 | V15 Y16 R17 C52 | C13-V15 VanDerWaalsContact C-N 3.29Å; C13-V15 PolarHBondContact O-N 2.7Å; C13-Y16 PolarHBondContact O-N 3.34Å; C13-R17 PolarHBondContact O-N 3.09Å; C13-C52 VanDerWaalsContact CA-SG 3.51Å; C13-C52 HydrophobicContact CB-CB 4.44Å; C13-C52 WeakPolarHBondContact CB-SG 3.42Å |
| 14 | E | 87.8 | Confident | 79.3 | Confident | 142 Ų | 142 | 84 Ų | 84 | 66% | 0.664 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -59.8 | -34.3 | 176.3 | 67.3 | -164.9 | 168.9 | 0 | 0 | 113.7 | P12 R17 A18 | P12-E14 HydrophobicContact CB-CG 4Å; P12-E14 HydrophobicContact CG-CG 3.9Å; P12-E14 WeakPolarHBondContact CG-OE1 3.4Å; P12-E14 PolarHBondContact O-N 3.21Å; P12-E14 VanDerWaalsContact O-N 3.14Å; E14-R17 WeakPolarHBondContact O-CB 3.2Å; E14-R17 PolarHBondContact O-N 2.94Å; E14-A18 PolarHBondContact O-N 3.36Å |
| 15 | V | 90.4 | Very high | 81.3 | Confident | 44 Ų | 44 | 80.8 Ų | 80.8 | 27% | 0.267 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -70.5 | -43.9 | 178.2 | 174.1 | 0 | 0 | 0 | 0 | 110 | R11 P12 C13 R17 A18 E19 | R11-V15 HydrophobicContact CB-CB 4.41Å; R11-V15 HydrophobicContact CB-CG1 4.5Å; P12-V15 HydrophobicContact CG-CG2 3.87Å; P12-V15 PolarHBondContact O-N 2.73Å; C13-V15 VanDerWaalsContact C-N 3.29Å; C13-V15 PolarHBondContact O-N 2.7Å; V15-R17 PolarHBondContact O-N 2.87Å; V15-A18 PolarHBondContact O-N 3.26Å; V15-E19 WeakPolarHBondContact O-CG 3.29Å; V15-E19 PolarHBondContact O-N 3.36Å |
| 16 | Y | 87.6 | Confident | 83 | Confident | 30 Ų | 30 | 82.5 Ų | 82.5 | 12% | 0.118 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -62 | -34.6 | 175.2 | -70 | -72.5 | 0 | 0 | 0 | 112.1 | P9 R11 C13 W20 W45 D48 C52 | P9-Y16 HydrophobicContact CB-CE2 4.2Å; R11-Y16 HydrophobicContact CB-CE2 3.94Å; R11-Y16 WeakPolarHBondContact O-CE2 3.28Å; C13-Y16 PolarHBondContact O-N 3.34Å; Y16-W20 WeakPolarHBondContact O-CB 3.38Å; Y16-W20 PolarHBondContact O-N 2.77Å; Y16-W45 HydrophobicContact CD1-CE3 4.43Å; Y16-W45 HydrophobicContact CD1-CZ3 4.39Å; Y16-D48 HydrophobicContact CD1-CB 4.1Å; Y16-D48 HydrophobicContact CE1-CB 4.19Å; Y16-C52 HydrophobicContact CD2-CB 4.32Å |
| 17 | R | 89.1 | Confident | 84.3 | Confident | 112 Ų | 112 | 80 Ų | 80 | 42% | 0.423 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65 | -47.8 | 174.5 | 179.6 | -177.4 | -60.4 | -78.9 | -2.4 | 111.5 | C13 E14 V15 E19 W20 E21 L49 | C13-R17 PolarHBondContact O-N 3.09Å; E14-R17 WeakPolarHBondContact O-CB 3.2Å; E14-R17 PolarHBondContact O-N 2.94Å; V15-R17 PolarHBondContact O-N 2.87Å; R17-E19 VanDerWaalsContact C-N 3.34Å; R17-E19 PolarHBondContact O-N 3.39Å; R17-W20 PolarHBondContact O-N 3.3Å; R17-E21 WeakPolarHBondContact O-CG 3.3Å; R17-E21 PolarHBondContact O-N 2.85Å; R17-L49 HydrophobicContact CB-CD1 4.04Å |
| 18 | A | 91.8 | Very high | 85.4 | Confident | 56 Ų | 56 | 78.4 Ų | 78.4 | 46% | 0.463 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.5 | -42.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | E14 V15 E21 L22 | E14-A18 PolarHBondContact O-N 3.36Å; V15-A18 PolarHBondContact O-N 3.26Å; A18-E21 PolarHBondContact O-N 3.37Å; A18-L22 WeakPolarHBondContact O-CB 3.27Å; A18-L22 PolarHBondContact O-N 2.84Å |
| 19 | E | 91.5 | Very high | 86.4 | Confident | 79 Ų | 79 | 73.1 Ų | 73.1 | 37% | 0.369 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.4 | -44.8 | 174.6 | -74.3 | -94.1 | 171.1 | 0 | 0 | 112 | V15 R17 L22 C23 W45 | V15-E19 WeakPolarHBondContact O-CG 3.29Å; V15-E19 PolarHBondContact O-N 3.36Å; R17-E19 VanDerWaalsContact C-N 3.34Å; R17-E19 PolarHBondContact O-N 3.39Å; E19-L22 PolarHBondContact O-N 2.8Å; E19-C23 WeakPolarHBondContact O-CB 3.41Å; E19-C23 PolarHBondContact O-N 2.8Å; E19-W45 HydrophobicContact CB-CD2 4.25Å; E19-W45 HydrophobicContact CB-CE3 3.95Å; E19-W45 HydrophobicContact CB-CZ3 4.12Å; E19-W45 HydrophobicContact CG-CH2 4.42Å; E19-W45 HydrophobicContact CG-CZ3 4.17Å; E19-W45 VanDerWaalsContact OE2-CH2 3.24Å; E19-W45 WeakPolarHBondContact OE2-CH2 3.27Å; E19-W45 VanDerWaalsContact OE2-CZ2 3.27Å; E19-W45 WeakPolarHBondContact OE2-CZ2 3.34Å |
| 20 | W | 91.1 | Very high | 87.3 | Confident | 51 Ų | 51 | 77.8 Ų | 77.8 | 19% | 0.193 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -65.4 | -40.7 | 177.8 | 176.4 | 76.2 | 0 | 0 | 0 | 112.6 | Y16 R17 C23 R24 W45 L46 | Y16-W20 WeakPolarHBondContact O-CB 3.38Å; Y16-W20 PolarHBondContact O-N 2.77Å; R17-W20 PolarHBondContact O-N 3.3Å; W20-C23 PolarHBondContact O-N 3.49Å; W20-R24 VanDerWaalsContact CZ2-NH1 3.26Å; W20-R24 PolarHBondContact O-N 3.21Å; W20-R24 VanDerWaalsContact O-N 3.15Å; W20-W45 HydrophobicContact CB-CB 4.13Å; W20-L46 HydrophobicContact CZ2-CD1 4.2Å |
| 21 | E | 90.8 | Very high | 87.8 | Confident | 109 Ų | 109 | 78.7 Ų | 78.7 | 51% | 0.509 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.9 | -41.9 | 174.4 | -73.8 | 175.2 | -171.2 | 0 | 0 | 111.5 | R17 A18 R24 S25 | R17-E21 WeakPolarHBondContact O-CG 3.3Å; R17-E21 PolarHBondContact O-N 2.85Å; A18-E21 PolarHBondContact O-N 3.37Å; E21-R24 PolarHBondContact O-N 2.77Å; E21-S25 PolarHBondContact O-N 3.3Å |
| 22 | L | 90.4 | Very high | 88.2 | Confident | 99 Ų | 99 | 73.3 Ų | 73.3 | 52% | 0.518 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.4 | -44.5 | 174.8 | -177.7 | 66 | 0 | 0 | 0 | 111.6 | A18 E19 R24 S25 H28 | A18-L22 WeakPolarHBondContact O-CB 3.27Å; A18-L22 PolarHBondContact O-N 2.84Å; E19-L22 PolarHBondContact O-N 2.8Å; L22-R24 PolarHBondContact O-N 2.91Å; L22-S25 WeakPolarHBondContact O-CB 3.49Å; L22-S25 PolarHBondContact O-N 2.88Å; L22-S25 PolarHBondContact O-OG 2.83Å; L22-H28 VanDerWaalsContact O-CB 3.28Å; L22-H28 WeakPolarHBondContact O-CB 3.13Å |
| 23 | C | 89.1 | Confident | 88.5 | Confident | 7 Ų | 7 | 76.8 Ų | 76.8 | 5% | 0.047 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -58.4 | -37.5 | 177.3 | -174.6 | 0 | 0 | 0 | 0 | 112 | E19 W20 S25 C42 | E19-C23 WeakPolarHBondContact O-CB 3.41Å; E19-C23 PolarHBondContact O-N 2.8Å; W20-C23 PolarHBondContact O-N 3.49Å; C23-S25 VanDerWaalsContact C-N 3.35Å; C23-C42 HydrophobicContact CB-CB 3.96Å; C23-C42 WeakPolarHBondContact CB-SG 3.46Å; C23-C42 PolarHBondContact O-SG 2.91Å; C23-C42 WeakPolarHBondContact SG-CA 3.32Å; C23-C42 WeakPolarHBondContact SG-CB 3.12Å; C23-C42 CovalentContact SG-SG 2.05Å; C23-C42 PolarHBondContact SG-SG 3.14Å |
| 24 | R | 86.8 | Confident | 88.6 | Confident | 153 Ų | 153 | 85.6 Ų | 85.6 | 58% | 0.577 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -80.7 | -14.1 | 177.1 | -71.6 | -177.7 | 64.8 | -161.7 | -1.7 | 113.9 | W20 E21 L22 | W20-R24 VanDerWaalsContact CZ2-NH1 3.26Å; W20-R24 PolarHBondContact O-N 3.21Å; W20-R24 VanDerWaalsContact O-N 3.15Å; E21-R24 PolarHBondContact O-N 2.77Å; L22-R24 PolarHBondContact O-N 2.91Å |
| 25 | S | 89.8 | Confident | 88.8 | Confident | 40 Ų | 40 | 82.6 Ų | 82.6 | 28% | 0.28 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -60.2 | 141.6 | -177.3 | 75.9 | 0 | 0 | 0 | 0 | 111.2 | E21 L22 C23 G27 H28 V29 | E21-S25 PolarHBondContact O-N 3.3Å; L22-S25 WeakPolarHBondContact O-CB 3.49Å; L22-S25 PolarHBondContact O-N 2.88Å; L22-S25 PolarHBondContact O-OG 2.83Å; C23-S25 VanDerWaalsContact C-N 3.35Å; S25-G27 VanDerWaalsContact C-N 3.25Å; S25-G27 PolarHBondContact O-N 3.32Å; S25-H28 PolarHBondContact O-N 2.93Å; S25-H28 VanDerWaalsContact OG-CB 3.3Å; S25-H28 WeakPolarHBondContact OG-CB 3.21Å; S25-H28 PolarHBondContact OG-N 2.83Å; S25-V29 WeakPolarHBondContact O-CG2 3.49Å; S25-V29 PolarHBondContact O-N 3.07Å |
| 26 | V | 83.3 | Confident | 88.8 | Confident | 108 Ų | 108 | 85.8 Ų | 85.8 | 66% | 0.655 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -58.7 | -40.2 | -177.5 | 176.8 | 0 | 0 | 0 | 0 | 111 | V29 L30 | V26-V29 PolarHBondContact O-N 2.96Å; V26-L30 HydrophobicContact CG1-CD1 3.73Å; V26-L30 HydrophobicContact CG1-CG 4.11Å; V26-L30 WeakPolarHBondContact O-CB 3.41Å; V26-L30 VanDerWaalsContact O-CG 3.23Å; V26-L30 WeakPolarHBondContact O-CG 3.36Å; V26-L30 PolarHBondContact O-N 3.26Å |
| 27 | G | 86.8 | Confident | 89 | Confident | 50 Ų | 50 | 86.9 Ų | 86.9 | 52% | 0.515 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.3 | -47 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | S25 L30 H31 | S25-G27 VanDerWaalsContact C-N 3.25Å; S25-G27 PolarHBondContact O-N 3.32Å; G27-L30 PolarHBondContact O-N 2.81Å; G27-H31 WeakPolarHBondContact O-CB 3.32Å; G27-H31 PolarHBondContact O-N 3.38Å |
| 28 | H | 83.9 | Confident | 88.8 | Confident | 74 Ų | 74 | 88.1 Ų | 88.1 | 34% | 0.343 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -66.4 | -41.3 | 179.3 | -168.8 | 81 | 0 | 0 | 0 | 111.9 | L22 S25 H32 | L22-H28 VanDerWaalsContact O-CB 3.28Å; L22-H28 WeakPolarHBondContact O-CB 3.13Å; S25-H28 PolarHBondContact O-N 2.93Å; S25-H28 VanDerWaalsContact OG-CB 3.3Å; S25-H28 WeakPolarHBondContact OG-CB 3.21Å; S25-H28 PolarHBondContact OG-N 2.83Å; H28-H32 VanDerWaalsContact O-CB 3.24Å; H28-H32 WeakPolarHBondContact O-CB 3.37Å; H28-H32 PolarHBondContact O-N 2.96Å |
| 29 | V | 86.9 | Confident | 88.4 | Confident | 21 Ų | 21 | 94.3 Ų | 94.3 | 13% | 0.127 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -63.5 | -45.1 | 176.7 | 174 | 0 | 0 | 0 | 0 | 111.4 | S25 V26 H32 Y33 P40 | S25-V29 WeakPolarHBondContact O-CG2 3.49Å; S25-V29 PolarHBondContact O-N 3.07Å; V26-V29 PolarHBondContact O-N 2.96Å; V29-H32 PolarHBondContact O-N 3.37Å; V29-Y33 WeakPolarHBondContact O-CB 3.42Å; V29-Y33 PolarHBondContact O-N 2.81Å; V29-P40 HydrophobicContact CG2-CG 4.01Å |
| 30 | L | 88.9 | Confident | 88.2 | Confident | 110 Ų | 110 | 91.4 Ų | 91.4 | 58% | 0.576 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -64.5 | -45.5 | 179.6 | -73 | 174.6 | 0 | 0 | 0 | 111.7 | V26 G27 Y33 Y34 | V26-L30 HydrophobicContact CG1-CD1 3.73Å; V26-L30 HydrophobicContact CG1-CG 4.11Å; V26-L30 WeakPolarHBondContact O-CB 3.41Å; V26-L30 VanDerWaalsContact O-CG 3.23Å; V26-L30 WeakPolarHBondContact O-CG 3.36Å; V26-L30 PolarHBondContact O-N 3.26Å; G27-L30 PolarHBondContact O-N 2.81Å; L30-Y33 PolarHBondContact O-N 2.72Å; L30-Y34 WeakPolarHBondContact O-CB 3.46Å; L30-Y34 PolarHBondContact O-N 2.99Å |
| 31 | H | 87.4 | Confident | 88 | Confident | 127 Ų | 127 | 93.3 Ų | 93.3 | 59% | 0.588 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -61.5 | -47.5 | 177.5 | -178.9 | -91.4 | 0 | 0 | 0 | 111.4 | G27 Y33 Y34 V35 | G27-H31 WeakPolarHBondContact O-CB 3.32Å; G27-H31 PolarHBondContact O-N 3.38Å; H31-Y33 VanDerWaalsContact C-N 3.3Å; H31-Y33 PolarHBondContact O-N 3.29Å; H31-Y34 PolarHBondContact O-N 3.19Å; H31-V35 WeakPolarHBondContact O-CG2 3.21Å; H31-V35 PolarHBondContact O-N 3.39Å |
| 32 | H | 86.9 | Confident | 87.9 | Confident | 42 Ų | 42 | 89.2 Ų | 89.2 | 19% | 0.194 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -65.2 | -35.9 | 178.6 | -167 | -72.6 | 0 | 0 | 0 | 112 | H28 V29 H36 K38 P40 | H28-H32 VanDerWaalsContact O-CB 3.24Å; H28-H32 WeakPolarHBondContact O-CB 3.37Å; H28-H32 PolarHBondContact O-N 2.96Å; V29-H32 PolarHBondContact O-N 3.37Å; H32-H36 AromaticContact CD2-CD2 3.67Å; H32-H36 AromaticContact CE1-CD2 3.51Å; H32-H36 AromaticContact CE1-CG 3.97Å; H32-H36 AromaticContact CG-CD2 3.88Å; H32-H36 AromaticContact ND1-CD2 3.78Å; H32-H36 AromaticContact NE2-CD2 3.45Å; H32-H36 PolarHBondContact NE2-CD2 3.32Å; H32-H36 WeakPolarHBondContact O-CB 3.48Å; H32-H36 PolarHBondContact O-N 3.09Å; H32-K38 PolarHBondContact ND1-O 3.34Å; H32-P40 HydrophobicContact CB-CB 4.37Å; H32-P40 HydrophobicContact CB-CG 4.25Å |
| 33 | Y | 89.9 | Confident | 87.8 | Confident | 138 Ų | 138 | 93.2 Ų | 93.2 | 54% | 0.541 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67.6 | -39.7 | 174.6 | -168.7 | -97.3 | 0 | 0 | 0 | 111.8 | V29 L30 H31 G37 R39 | V29-Y33 WeakPolarHBondContact O-CB 3.42Å; V29-Y33 PolarHBondContact O-N 2.81Å; L30-Y33 PolarHBondContact O-N 2.72Å; H31-Y33 VanDerWaalsContact C-N 3.3Å; H31-Y33 PolarHBondContact O-N 3.29Å; Y33-G37 WeakPolarHBondContact O-CA 3.22Å; Y33-G37 PolarHBondContact O-N 2.95Å; Y33-R39 HydrophobicContact CD2-CG 4.39Å |
| 34 | Y | 90.4 | Very high | 87.8 | Confident | 205 Ų | 205 | 99.4 Ų | 99.4 | 80% | 0.804 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.1 | -44.2 | 176.3 | 179.8 | -99.7 | 0 | 0 | 0 | 112.2 | L30 H31 | L30-Y34 WeakPolarHBondContact O-CB 3.46Å; L30-Y34 PolarHBondContact O-N 2.99Å; H31-Y34 PolarHBondContact O-N 3.19Å |
| 35 | V | 93.2 | Very high | 87.9 | Confident | 80 Ų | 80 | 96 Ų | 96 | 49% | 0.485 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -78.8 | -42.6 | -177 | 177.9 | 0 | 0 | 0 | 0 | 112.5 | H31 | H31-V35 WeakPolarHBondContact O-CG2 3.21Å; H31-V35 PolarHBondContact O-N 3.39Å |
| 36 | H | 89.5 | Confident | 87.8 | Confident | 111 Ų | 111 | 97.7 Ų | 97.7 | 51% | 0.514 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -110.6 | -6.4 | -170.4 | -60.6 | -63.1 | 0 | 0 | 0 | 114.5 | H32 K38 | H32-H36 AromaticContact CD2-CD2 3.67Å; H32-H36 AromaticContact CE1-CD2 3.51Å; H32-H36 AromaticContact CE1-CG 3.97Å; H32-H36 AromaticContact CG-CD2 3.88Å; H32-H36 AromaticContact ND1-CD2 3.78Å; H32-H36 AromaticContact NE2-CD2 3.45Å; H32-H36 PolarHBondContact NE2-CD2 3.32Å; H32-H36 WeakPolarHBondContact O-CB 3.48Å; H32-H36 PolarHBondContact O-N 3.09Å; H36-K38 HydrophobicContact CB-CG 4Å; H36-K38 PolarHBondContact O-N 3.33Å; H36-K38 VanDerWaalsContact O-N 3.09Å |
| 37 | G | 90.9 | Very high | 88.2 | Confident | 53 Ų | 53 | 101 Ų | 101 | 55% | 0.546 | 48% | 0.476 | S | S | . | . | S | Bend | trans | 67.4 | 5.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y33 | Y33-G37 WeakPolarHBondContact O-CA 3.22Å; Y33-G37 PolarHBondContact O-N 2.95Å |
| 38 | K | 86.5 | Confident | 88.3 | Confident | 137 Ų | 137 | 100.7 Ų | 100.7 | 60% | 0.596 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -135.1 | 149.1 | -177 | 63.1 | -178.5 | 175.5 | 179 | 0 | 110.9 | H32 H36 | H32-K38 PolarHBondContact ND1-O 3.34Å; H36-K38 HydrophobicContact CB-CG 4Å; H36-K38 PolarHBondContact O-N 3.33Å; H36-K38 VanDerWaalsContact O-N 3.09Å |
| 39 | R | 82.4 | Confident | 88.5 | Confident | 186 Ų | 186 | 98 Ų | 98 | 70% | 0.702 | 45% | 0.451 | S | S | * | . | trans | -67.7 | 142.8 | 174.3 | -63.8 | -171.4 | 80.7 | 176.7 | 5.3 | 109.9 | Y33 | Y33-R39 HydrophobicContact CD2-CG 4.39Š| ||
| 40 | P | 87.8 | Confident | 88.7 | Confident | 19 Ų | 19 | 100 Ų | 100 | 12% | 0.123 | 46% | 0.463 | C | S | . | . | trans | -65 | 143.6 | 175.4 | 27.1 | -32.4 | 0 | 0 | 0 | 110.3 | V29 H32 C42 | V29-P40 HydrophobicContact CG2-CG 4.01Å; H32-P40 HydrophobicContact CB-CB 4.37Å; H32-P40 HydrophobicContact CB-CG 4.25Å; P40-C42 PolarHBondContact O-N 2.93Å | ||
| 41 | D | 86.7 | Confident | 88.6 | Confident | 91 Ų | 91 | 97 Ų | 97 | 49% | 0.487 | 45% | 0.448 | S | S | . | . | trans | -88.2 | 93.5 | 178.1 | -165 | -11.6 | 0 | 0 | 0 | 110.8 | R43 | D41-R43 PolarHBondContact O-N 3.4Å; D41-R43 WeakPolarHBondContact OD1-CB 3.34Å; D41-R43 WeakPolarHBondContact OD1-CG 3.36Å; D41-R43 IonicContact OD1-CZ 3.73Å; D41-R43 PolarHBondContact OD1-N 3.14Å; D41-R43 VanDerWaalsContact OD1-N 3.08Å; D41-R43 IonicContact OD1-NE 2.83Å; D41-R43 PolarHBondContact OD1-NE 2.94Å; D41-R43 IonicContact OD1-NH2 3.74Å; D41-R43 IonicContact OD2-CZ 3.37Å; D41-R43 IonicContact OD2-NE 3.18Å; D41-R43 PolarHBondContact OD2-NE 2.81Å; D41-R43 IonicContact OD2-NH2 2.74Å; D41-R43 PolarHBondContact OD2-NH2 2.93Å | ||
| 42 | C | 89.1 | Confident | 88.6 | Confident | 23 Ų | 23 | 91.1 Ų | 91.1 | 16% | 0.155 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 3 | 178.9 | -54 | 0 | 0 | 0 | 0 | 114 | C23 P40 Q44 W45 L46 | C23-C42 HydrophobicContact CB-CB 3.96Å; C23-C42 WeakPolarHBondContact CB-SG 3.46Å; C23-C42 PolarHBondContact O-SG 2.91Å; C23-C42 WeakPolarHBondContact SG-CA 3.32Å; C23-C42 WeakPolarHBondContact SG-CB 3.12Å; C23-C42 CovalentContact SG-SG 2.05Å; C23-C42 PolarHBondContact SG-SG 3.14Å; P40-C42 PolarHBondContact O-N 2.93Å; C42-Q44 VanDerWaalsContact C-N 3.29Å; C42-Q44 PolarHBondContact O-N 3.29Å; C42-W45 PolarHBondContact O-N 3.36Å; C42-L46 PolarHBondContact O-N 3.03Å; C42-L46 VanDerWaalsContact O-N 3.14Å |
| 43 | R | 88.4 | Confident | 88.6 | Confident | 182 Ų | 182 | 96 Ų | 96 | 69% | 0.687 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -67.6 | -30.5 | -177.8 | -67.9 | 178.7 | -74.8 | -172.3 | -1.6 | 112.5 | D41 L46 R47 | D41-R43 PolarHBondContact O-N 3.4Å; D41-R43 WeakPolarHBondContact OD1-CB 3.34Å; D41-R43 WeakPolarHBondContact OD1-CG 3.36Å; D41-R43 IonicContact OD1-CZ 3.73Å; D41-R43 PolarHBondContact OD1-N 3.14Å; D41-R43 VanDerWaalsContact OD1-N 3.08Å; D41-R43 IonicContact OD1-NE 2.83Å; D41-R43 PolarHBondContact OD1-NE 2.94Å; D41-R43 IonicContact OD1-NH2 3.74Å; D41-R43 IonicContact OD2-CZ 3.37Å; D41-R43 IonicContact OD2-NE 3.18Å; D41-R43 PolarHBondContact OD2-NE 2.81Å; D41-R43 IonicContact OD2-NH2 2.74Å; D41-R43 PolarHBondContact OD2-NH2 2.93Å; R43-L46 PolarHBondContact O-N 3.14Å; R43-R47 WeakPolarHBondContact O-CB 3.24Å; R43-R47 PolarHBondContact O-N 2.89Å |
| 44 | Q | 87.5 | Confident | 88.5 | Confident | 137 Ų | 137 | 94.8 Ų | 94.8 | 64% | 0.64 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -63.6 | -51.9 | 176.2 | -174.8 | 173.1 | 4.5 | 0 | 0 | 111 | C42 L46 R47 D48 | C42-Q44 VanDerWaalsContact C-N 3.29Å; C42-Q44 PolarHBondContact O-N 3.29Å; Q44-L46 VanDerWaalsContact C-N 3.28Å; Q44-L46 PolarHBondContact O-N 3.27Å; Q44-R47 WeakPolarHBondContact O-CB 3.5Å; Q44-R47 PolarHBondContact O-N 3Å; Q44-D48 PolarHBondContact O-N 3.24Å |
| 45 | W | 88.8 | Confident | 88.2 | Confident | 82 Ų | 82 | 87.9 Ų | 87.9 | 31% | 0.311 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59.5 | -37.6 | 176.8 | -64.3 | 116.5 | 0 | 0 | 0 | 113.1 | Y16 E19 W20 C42 D48 L49 | Y16-W45 HydrophobicContact CD1-CE3 4.43Å; Y16-W45 HydrophobicContact CD1-CZ3 4.39Å; E19-W45 HydrophobicContact CB-CD2 4.25Å; E19-W45 HydrophobicContact CB-CE3 3.95Å; E19-W45 HydrophobicContact CB-CZ3 4.12Å; E19-W45 HydrophobicContact CG-CH2 4.42Å; E19-W45 HydrophobicContact CG-CZ3 4.17Å; E19-W45 VanDerWaalsContact OE2-CH2 3.24Å; E19-W45 WeakPolarHBondContact OE2-CH2 3.27Å; E19-W45 VanDerWaalsContact OE2-CZ2 3.27Å; E19-W45 WeakPolarHBondContact OE2-CZ2 3.34Å; W20-W45 HydrophobicContact CB-CB 4.13Å; C42-W45 PolarHBondContact O-N 3.36Å; W45-D48 PolarHBondContact O-N 3.35Å; W45-L49 WeakPolarHBondContact O-CB 3.27Å; W45-L49 PolarHBondContact O-N 2.97Å |
| 46 | L | 89.5 | Confident | 87.7 | Confident | 75 Ų | 75 | 88.1 Ų | 88.1 | 39% | 0.393 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.4 | -44 | 174.7 | -178.4 | 61.4 | 0 | 0 | 0 | 111.6 | W20 C42 R43 Q44 L49 T50 | W20-L46 HydrophobicContact CZ2-CD1 4.2Å; C42-L46 PolarHBondContact O-N 3.03Å; C42-L46 VanDerWaalsContact O-N 3.14Å; R43-L46 PolarHBondContact O-N 3.14Å; Q44-L46 VanDerWaalsContact C-N 3.28Å; Q44-L46 PolarHBondContact O-N 3.27Å; L46-L49 PolarHBondContact O-N 2.98Å; L46-T50 PolarHBondContact O-N 3.05Å; L46-T50 PolarHBondContact O-OG1 3.04Å; L46-T50 VanDerWaalsContact O-OG1 3.05Å |
| 47 | R | 90.1 | Very high | 87.3 | Confident | 179 Ų | 179 | 87.8 Ų | 87.8 | 68% | 0.675 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -63.8 | -43.7 | 178.4 | -170.8 | 179 | -175 | -178.7 | 0.8 | 111.3 | R43 Q44 L49 T50 N51 | R43-R47 WeakPolarHBondContact O-CB 3.24Å; R43-R47 PolarHBondContact O-N 2.89Å; Q44-R47 WeakPolarHBondContact O-CB 3.5Å; Q44-R47 PolarHBondContact O-N 3Å; R47-L49 VanDerWaalsContact C-N 3.35Å; R47-T50 PolarHBondContact O-N 3.14Å; R47-N51 WeakPolarHBondContact O-CB 3.36Å; R47-N51 PolarHBondContact O-N 3.42Å; R47-N51 PolarHBondContact O-ND2 3.07Å; R47-N51 PolarHBondContact O-OD1 2.96Å |
| 48 | D | 88.6 | Confident | 86.7 | Confident | 43 Ų | 43 | 88.3 Ų | 88.3 | 23% | 0.23 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -65.5 | -39.1 | 179.2 | -66.5 | -25.5 | 0 | 0 | 0 | 111.7 | Y16 Q44 W45 C52 | Y16-D48 HydrophobicContact CD1-CB 4.1Å; Y16-D48 HydrophobicContact CE1-CB 4.19Å; Q44-D48 PolarHBondContact O-N 3.24Å; W45-D48 PolarHBondContact O-N 3.35Å; D48-C52 VanDerWaalsContact O-CB 3.31Å; D48-C52 WeakPolarHBondContact O-CB 3.45Å; D48-C52 PolarHBondContact O-N 3.4Å |
| 49 | L | 89.5 | Confident | 86 | Confident | 17 Ų | 17 | 87.4 Ų | 87.4 | 9% | 0.089 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63 | -44.3 | 173.2 | -178.9 | 64.4 | 0 | 0 | 0 | 112.1 | R17 W45 L46 R47 C52 R53 | R17-L49 HydrophobicContact CB-CD1 4.04Å; W45-L49 WeakPolarHBondContact O-CB 3.27Å; W45-L49 PolarHBondContact O-N 2.97Å; L46-L49 PolarHBondContact O-N 2.98Å; R47-L49 VanDerWaalsContact C-N 3.35Å; L49-C52 PolarHBondContact O-N 3.3Å; L49-R53 PolarHBondContact O-N 3.47Å |
| 50 | T | 90.1 | Very high | 85.1 | Confident | 63 Ų | 63 | 81 Ų | 81 | 39% | 0.387 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.8 | -48.7 | 177.3 | -60.9 | 0 | 0 | 0 | 0 | 111.2 | L46 R47 C52 R53 E54 | L46-T50 PolarHBondContact O-N 3.05Å; L46-T50 PolarHBondContact O-OG1 3.04Å; L46-T50 VanDerWaalsContact O-OG1 3.05Å; R47-T50 PolarHBondContact O-N 3.14Å; T50-C52 VanDerWaalsContact C-N 3.26Å; T50-C52 PolarHBondContact O-N 2.98Å; T50-R53 WeakPolarHBondContact O-CB 3.31Å; T50-R53 PolarHBondContact O-N 2.89Å; T50-R53 VanDerWaalsContact O-N 3.14Å; T50-E54 WeakPolarHBondContact O-CG 3.5Å; T50-E54 PolarHBondContact O-N 3.38Å |
| 51 | N | 87.3 | Confident | 84.1 | Confident | 47 Ų | 47 | 82.9 Ų | 82.9 | 25% | 0.251 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -57.8 | -42.4 | 176.8 | -64.1 | -19.7 | 0 | 0 | 0 | 110.7 | W7 R47 R53 E54 W55 | W7-N51 VanDerWaalsContact CH2-C 3.47Å; W7-N51 HydrophobicContact CH2-CB 3.39Å; W7-N51 HydrophobicContact CZ2-CB 3.91Å; W7-N51 HydrophobicContact CZ3-CB 3.78Å; W7-N51 WeakPolarHBondContact CZ3-O 3.38Å; R47-N51 WeakPolarHBondContact O-CB 3.36Å; R47-N51 PolarHBondContact O-N 3.42Å; R47-N51 PolarHBondContact O-ND2 3.07Å; R47-N51 PolarHBondContact O-OD1 2.96Å; N51-R53 VanDerWaalsContact C-N 3.3Å; N51-R53 PolarHBondContact O-N 2.95Å; N51-E54 PolarHBondContact O-N 3.31Å; N51-W55 WeakPolarHBondContact O-CB 3.44Å; N51-W55 PolarHBondContact O-N 3.04Å |
| 52 | C | 88.3 | Confident | 82.9 | Confident | 4 Ų | 4 | 85.5 Ų | 85.5 | 3% | 0.027 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -62.8 | -38.5 | -180 | -170.9 | 0 | 0 | 0 | 0 | 111.9 | W7 P9 C13 Y16 D48 L49 T50 E56 | W7-C52 HydrophobicContact CH2-CB 4.25Å; P9-C52 HydrophobicContact CG-CB 4.28Å; P9-C52 VanDerWaalsContact CG-SG 3.57Å; C13-C52 VanDerWaalsContact CA-SG 3.51Å; C13-C52 HydrophobicContact CB-CB 4.44Å; C13-C52 WeakPolarHBondContact CB-SG 3.42Å; Y16-C52 HydrophobicContact CD2-CB 4.32Å; D48-C52 VanDerWaalsContact O-CB 3.31Å; D48-C52 WeakPolarHBondContact O-CB 3.45Å; D48-C52 PolarHBondContact O-N 3.4Å; L49-C52 PolarHBondContact O-N 3.3Å; T50-C52 VanDerWaalsContact C-N 3.26Å; T50-C52 PolarHBondContact O-N 2.98Å; C52-E56 PolarHBondContact O-N 2.92Å; C52-E56 VanDerWaalsContact O-N 3.09Å |
| 53 | R | 86.4 | Confident | 81.3 | Confident | 145 Ų | 145 | 86.9 Ų | 86.9 | 55% | 0.547 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -68.9 | -44.6 | 176.7 | -174.2 | -179.1 | 177.3 | 162.6 | 6.4 | 112.1 | L49 T50 N51 W55 E56 E57 | L49-R53 PolarHBondContact O-N 3.47Å; T50-R53 WeakPolarHBondContact O-CB 3.31Å; T50-R53 PolarHBondContact O-N 2.89Å; T50-R53 VanDerWaalsContact O-N 3.14Å; N51-R53 VanDerWaalsContact C-N 3.3Å; N51-R53 PolarHBondContact O-N 2.95Å; R53-W55 VanDerWaalsContact C-N 3.25Å; R53-W55 PolarHBondContact O-N 2.95Å; R53-E56 PolarHBondContact O-N 3.04Å; R53-E56 VanDerWaalsContact O-N 3.14Å; R53-E57 WeakPolarHBondContact CG-OE1 3.49Å; R53-E57 IonicContact CZ-OE1 3.79Å; R53-E57 IonicContact NE-OE1 2.95Å; R53-E57 PolarHBondContact NE-OE1 3.29Å; R53-E57 IonicContact NH2-OE1 3.79Å; R53-E57 WeakPolarHBondContact O-CG 3.47Å; R53-E57 PolarHBondContact O-N 3.48Å |
| 54 | E | 87.4 | Confident | 80 | Confident | 111 Ų | 111 | 84.4 Ų | 84.4 | 52% | 0.519 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -59.9 | -38.8 | 175.7 | -71.3 | 176.4 | 180 | 0 | 0 | 111.4 | T50 N51 S58 | T50-E54 WeakPolarHBondContact O-CG 3.5Å; T50-E54 PolarHBondContact O-N 3.38Å; N51-E54 PolarHBondContact O-N 3.31Å; E54-S58 WeakPolarHBondContact O-CB 3.37Å; E54-S58 PolarHBondContact O-N 3.47Å; E54-S58 PolarHBondContact O-OG 3.47Å |
| 55 | W | 84.4 | Confident | 78.7 | Confident | 60 Ų | 60 | 79.9 Ų | 79.9 | 23% | 0.227 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -64.6 | -41.2 | 174.1 | -179.3 | 84 | 0 | 0 | 0 | 112.8 | W7 Q8 P9 N51 R53 S58 R59 | W7-W55 HydrophobicContact CE3-CB 4.03Å; W7-W55 HydrophobicContact CE3-CG 4.28Å; W7-W55 HydrophobicContact CZ3-CB 3.72Å; W7-W55 HydrophobicContact CZ3-CG 4.3Å; W7-W55 PolarHBondContact O-NE1 3.26Å; Q8-W55 HydrophobicContact CB-CZ2 4.14Å; Q8-W55 HydrophobicContact CG-CH2 4Å; Q8-W55 HydrophobicContact CG-CZ2 3.62Å; P9-W55 HydrophobicContact CG-CB 4.42Å; P9-W55 HydrophobicContact CG-CD2 3.97Å; P9-W55 HydrophobicContact CG-CE3 3.81Å; P9-W55 HydrophobicContact CG-CG 4.23Å; P9-W55 HydrophobicContact CG-CZ3 4.4Å; N51-W55 WeakPolarHBondContact O-CB 3.44Å; N51-W55 PolarHBondContact O-N 3.04Å; R53-W55 VanDerWaalsContact C-N 3.25Å; R53-W55 PolarHBondContact O-N 2.95Å; W55-S58 WeakPolarHBondContact CA-OG 3.43Å; W55-S58 PolarHBondContact O-OG 3.43Å; W55-R59 WeakPolarHBondContact O-CB 3.41Å; W55-R59 PolarHBondContact O-N 3.01Å |
| 56 | E | 82.4 | Confident | 77.3 | Confident | 85 Ų | 85 | 79.1 Ų | 79.1 | 40% | 0.397 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -68.5 | -39.4 | 178.2 | -171.6 | 166 | -148.6 | 0 | 0 | 112.5 | C52 R53 S60 | C52-E56 PolarHBondContact O-N 2.92Å; C52-E56 VanDerWaalsContact O-N 3.09Å; R53-E56 PolarHBondContact O-N 3.04Å; R53-E56 VanDerWaalsContact O-N 3.14Å; E56-S60 WeakPolarHBondContact O-CB 3.5Å; E56-S60 PolarHBondContact O-N 3.37Å; E56-S60 PolarHBondContact O-OG 2.87Å |
| 57 | E | 81.4 | Confident | 75.9 | Confident | 105 Ų | 105 | 81.7 Ų | 81.7 | 49% | 0.491 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.8 | -45.6 | 175.6 | -73.2 | 175 | -170.3 | 0 | 0 | 111.5 | R53 S60 A61 | R53-E57 WeakPolarHBondContact CG-OE1 3.49Å; R53-E57 IonicContact CZ-OE1 3.79Å; R53-E57 IonicContact NE-OE1 2.95Å; R53-E57 PolarHBondContact NE-OE1 3.29Å; R53-E57 IonicContact NH2-OE1 3.79Å; R53-E57 WeakPolarHBondContact O-CG 3.47Å; R53-E57 PolarHBondContact O-N 3.48Å; E57-S60 WeakPolarHBondContact O-CB 3.41Å; E57-S60 PolarHBondContact O-N 3.08Å; E57-A61 PolarHBondContact O-N 3.18Å |
| 58 | S | 77.9 | Confident | 74.7 | Confident | 64 Ų | 64 | 79.8 Ų | 79.8 | 45% | 0.448 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65 | -41.2 | 176.7 | 54.1 | 0 | 0 | 0 | 0 | 112.7 | E54 W55 S60 A61 E62 | E54-S58 WeakPolarHBondContact O-CB 3.37Å; E54-S58 PolarHBondContact O-N 3.47Å; E54-S58 PolarHBondContact O-OG 3.47Å; W55-S58 WeakPolarHBondContact CA-OG 3.43Å; W55-S58 PolarHBondContact O-OG 3.43Å; S58-S60 VanDerWaalsContact C-N 3.27Å; S58-S60 PolarHBondContact O-N 3.05Å; S58-A61 PolarHBondContact O-N 3.14Å; S58-E62 VanDerWaalsContact O-CB 3.32Å; S58-E62 WeakPolarHBondContact O-CB 3.45Å; S58-E62 PolarHBondContact O-N 2.83Å |
| 59 | R | 71.7 | Confident | 73.3 | Confident | 117 Ų | 117 | 83.6 Ų | 83.6 | 44% | 0.442 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.5 | -35.6 | 172.5 | -170.3 | -175.2 | 68.2 | 169.5 | -2.6 | 111.8 | W55 A63 | W55-R59 WeakPolarHBondContact O-CB 3.41Å; W55-R59 PolarHBondContact O-N 3.01Å; R59-A63 WeakPolarHBondContact O-CB 3.33Å; R59-A63 PolarHBondContact O-N 2.64Å |
| 60 | S | 63.5 | Low | 71.9 | Confident | 51 Ų | 51 | 88.3 Ų | 88.3 | 36% | 0.357 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -71.1 | -37.7 | 177 | -59 | 0 | 0 | 0 | 0 | 111.9 | E56 E57 S58 Q64 | E56-S60 WeakPolarHBondContact O-CB 3.5Å; E56-S60 PolarHBondContact O-N 3.37Å; E56-S60 PolarHBondContact O-OG 2.87Å; E57-S60 WeakPolarHBondContact O-CB 3.41Å; E57-S60 PolarHBondContact O-N 3.08Å; S58-S60 VanDerWaalsContact C-N 3.27Å; S58-S60 PolarHBondContact O-N 3.05Å; S60-Q64 WeakPolarHBondContact O-CB 3.21Å; S60-Q64 WeakPolarHBondContact O-CG 3.49Å; S60-Q64 PolarHBondContact O-N 3.38Å; S60-Q64 PolarHBondContact O-NE2 2.74Å |
| 61 | A | 66.3 | Low | 70.6 | Confident | 60 Ų | 60 | 90.1 Ų | 90.1 | 50% | 0.496 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -69.9 | -40.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | E57 S58 Q64 G65 | E57-A61 PolarHBondContact O-N 3.18Å; S58-A61 PolarHBondContact O-N 3.14Å; A61-Q64 PolarHBondContact O-N 3.02Å; A61-G65 PolarHBondContact O-N 3.34Å |
| 62 | E | 61.5 | Low | 69.6 | Low | 145 Ų | 145 | 90.5 Ų | 90.5 | 68% | 0.678 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -65.8 | -42.6 | 174.2 | -174.1 | 176.1 | -168.3 | 0 | 0 | 111.3 | S58 G65 S66 | S58-E62 VanDerWaalsContact O-CB 3.32Å; S58-E62 WeakPolarHBondContact O-CB 3.45Å; S58-E62 PolarHBondContact O-N 2.83Å; E62-G65 PolarHBondContact O-N 2.98Å; E62-S66 VanDerWaalsContact O-CB 3.29Å; E62-S66 WeakPolarHBondContact O-CB 3.21Å; E62-S66 PolarHBondContact O-N 3.49Å |
| 63 | A | 56.8 | Low | 68.2 | Low | 53 Ų | 53 | 94.3 Ų | 94.3 | 44% | 0.438 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.1 | -40.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | R59 Q67 | R59-A63 WeakPolarHBondContact O-CB 3.33Å; R59-A63 PolarHBondContact O-N 2.64Å; A63-Q67 WeakPolarHBondContact O-CB 3.28Å; A63-Q67 PolarHBondContact O-N 2.05Å |
| 64 | Q | 59.7 | Low | 67.1 | Low | 130 Ų | 130 | 92.5 Ų | 92.5 | 61% | 0.607 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65.4 | -42.9 | 173.9 | -78.3 | 173.9 | 62.9 | 0 | 0 | 112.2 | S60 A61 Q67 F68 | S60-Q64 WeakPolarHBondContact O-CB 3.21Å; S60-Q64 WeakPolarHBondContact O-CG 3.49Å; S60-Q64 PolarHBondContact O-N 3.38Å; S60-Q64 PolarHBondContact O-NE2 2.74Å; A61-Q64 PolarHBondContact O-N 3.02Å; Q64-Q67 PolarHBondContact O-N 3.31Å; Q64-F68 WeakPolarHBondContact O-CB 3.17Å; Q64-F68 PolarHBondContact O-N 3.28Å |
| 65 | G | 61.1 | Low | 66.1 | Low | 42 Ų | 42 | 94.3 Ų | 94.3 | 43% | 0.433 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.1 | -43.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | A61 E62 F69 | A61-G65 PolarHBondContact O-N 3.34Å; E62-G65 PolarHBondContact O-N 2.98Å; G65-F69 VanDerWaalsContact O-CB 3.27Å; G65-F69 WeakPolarHBondContact O-CB 3.3Å; G65-F69 PolarHBondContact O-N 3.27Å |
| 66 | S | 60.2 | Low | 65.1 | Low | 66 Ų | 66 | 98 Ų | 98 | 46% | 0.462 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.4 | -43.7 | 174.9 | -167.3 | 0 | 0 | 0 | 0 | 111.5 | E62 F69 Q70 | E62-S66 VanDerWaalsContact O-CB 3.29Å; E62-S66 WeakPolarHBondContact O-CB 3.21Å; E62-S66 PolarHBondContact O-N 3.49Å; S66-F69 PolarHBondContact O-N 2.95Å; S66-Q70 VanDerWaalsContact O-CB 3.28Å; S66-Q70 WeakPolarHBondContact O-CB 3.38Å; S66-Q70 WeakPolarHBondContact O-CG 3.04Å; S66-Q70 PolarHBondContact O-N 3.15Å |
| 67 | Q | 59.9 | Low | 63.7 | Low | 128 Ų | 128 | 96 Ų | 96 | 60% | 0.598 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.2 | -38.4 | 178.3 | -164.9 | 172.8 | 38 | 0 | 0 | 111.9 | A63 Q64 Q70 L71 | A63-Q67 WeakPolarHBondContact O-CB 3.28Å; A63-Q67 PolarHBondContact O-N 2.05Å; Q64-Q67 PolarHBondContact O-N 3.31Å; Q67-Q70 PolarHBondContact O-N 3.45Å; Q67-L71 HydrophobicContact CG-CD1 4.36Å; Q67-L71 VanDerWaalsContact O-CB 3.3Å; Q67-L71 WeakPolarHBondContact O-CB 3.12Å; Q67-L71 WeakPolarHBondContact O-CD1 3.42Å; Q67-L71 WeakPolarHBondContact O-CG 3.37Å; Q67-L71 PolarHBondContact O-N 2.93Å |
| 68 | F | 63.3 | Low | 62.4 | Low | 139 Ų | 139 | 96.7 Ų | 96.7 | 61% | 0.61 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.4 | -43.9 | 172.6 | -176.2 | -104.1 | 0 | 0 | 0 | 111.4 | Q64 L71 I72 | Q64-F68 WeakPolarHBondContact O-CB 3.17Å; Q64-F68 PolarHBondContact O-N 3.28Å; F68-L71 PolarHBondContact O-N 3.32Å; F68-I72 HydrophobicContact CD1-CD1 3.71Å; F68-I72 HydrophobicContact CE1-CD1 3.24Å; F68-I72 HydrophobicContact CE1-CG1 4.31Å; F68-I72 HydrophobicContact CE2-CD1 4.35Å; F68-I72 HydrophobicContact CG-CD1 4.45Å; F68-I72 HydrophobicContact CZ-CD1 3.61Å; F68-I72 HydrophobicContact CZ-CG1 4.43Å; F68-I72 WeakPolarHBondContact O-CB 3.4Å; F68-I72 WeakPolarHBondContact O-CG1 3.24Å; F68-I72 PolarHBondContact O-N 3.09Å |
| 69 | F | 59.3 | Low | 61 | Low | 124 Ų | 124 | 99 Ų | 99 | 54% | 0.544 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.5 | -40.5 | 177 | -154.4 | -104 | 0 | 0 | 0 | 111.9 | G65 S66 I72 F73 | G65-F69 VanDerWaalsContact O-CB 3.27Å; G65-F69 WeakPolarHBondContact O-CB 3.3Å; G65-F69 PolarHBondContact O-N 3.27Å; S66-F69 PolarHBondContact O-N 2.95Å; F69-I72 PolarHBondContact O-N 3.39Å; F69-F73 AromaticContact CD1-CD2 3.69Å; F69-F73 HydrophobicContact CD1-CD2 3.69Å; F69-F73 AromaticContact CD1-CE2 3.69Å; F69-F73 HydrophobicContact CD1-CE2 3.69Å; F69-F73 AromaticContact CE1-CD2 3.66Å; F69-F73 HydrophobicContact CE1-CD2 3.66Å; F69-F73 AromaticContact CE1-CE2 3.12Å; F69-F73 HydrophobicContact CE1-CE2 3.12Å; F69-F73 HydrophobicContact CE1-CZ 4.05Å; F69-F73 HydrophobicContact CE2-CE2 4.48Å; F69-F73 HydrophobicContact CG-CD2 4.41Å; F69-F73 HydrophobicContact CZ-CD2 4.31Å; F69-F73 AromaticContact CZ-CE2 3.59Å; F69-F73 HydrophobicContact CZ-CE2 3.59Å; F69-F73 WeakPolarHBondContact O-CB 3.37Å; F69-F73 WeakPolarHBondContact O-CD2 3.39Å; F69-F73 PolarHBondContact O-N 3.24Å |
| 70 | Q | 61.7 | Low | 59.8 | Low | 116 Ų | 116 | 99.6 Ų | 99.6 | 54% | 0.542 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.7 | -42.3 | 173.2 | -72.7 | -72.5 | -15.1 | 0 | 0 | 111.8 | S66 Q67 F73 T74 | S66-Q70 VanDerWaalsContact O-CB 3.28Å; S66-Q70 WeakPolarHBondContact O-CB 3.38Å; S66-Q70 WeakPolarHBondContact O-CG 3.04Å; S66-Q70 PolarHBondContact O-N 3.15Å; Q67-Q70 PolarHBondContact O-N 3.45Å; Q70-F73 PolarHBondContact O-N 2.9Å; Q70-T74 WeakPolarHBondContact O-CB 3.16Å; Q70-T74 PolarHBondContact O-N 3.44Å; Q70-T74 PolarHBondContact O-OG1 2.99Å |
| 71 | L | 62.3 | Low | 58.7 | Low | 100 Ų | 100 | 105.2 Ų | 105.2 | 52% | 0.524 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63.5 | -42.8 | 174.5 | -77.8 | 165.3 | 0 | 0 | 0 | 111.3 | Q67 F68 T74 L75 | Q67-L71 HydrophobicContact CG-CD1 4.36Å; Q67-L71 VanDerWaalsContact O-CB 3.3Å; Q67-L71 WeakPolarHBondContact O-CB 3.12Å; Q67-L71 WeakPolarHBondContact O-CD1 3.42Å; Q67-L71 WeakPolarHBondContact O-CG 3.37Å; Q67-L71 PolarHBondContact O-N 2.93Å; F68-L71 PolarHBondContact O-N 3.32Å; L71-T74 PolarHBondContact O-N 3.02Å; L71-L75 WeakPolarHBondContact O-CB 3.23Å; L71-L75 VanDerWaalsContact O-CG 3.27Å; L71-L75 WeakPolarHBondContact O-CG 3.36Å; L71-L75 PolarHBondContact O-N 3.23Å |
| 72 | I | 66.9 | Low | 57.5 | Low | 55 Ų | 55 | 109.4 Ų | 109.4 | 28% | 0.282 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -61.5 | -46.4 | 173.5 | -73.5 | 177.2 | 0 | 0 | 0 | 111.1 | F68 F69 T74 L75 M76 | F68-I72 HydrophobicContact CD1-CD1 3.71Å; F68-I72 HydrophobicContact CE1-CD1 3.24Å; F68-I72 HydrophobicContact CE1-CG1 4.31Å; F68-I72 HydrophobicContact CE2-CD1 4.35Å; F68-I72 HydrophobicContact CG-CD1 4.45Å; F68-I72 HydrophobicContact CZ-CD1 3.61Å; F68-I72 HydrophobicContact CZ-CG1 4.43Å; F68-I72 WeakPolarHBondContact O-CB 3.4Å; F68-I72 WeakPolarHBondContact O-CG1 3.24Å; F68-I72 PolarHBondContact O-N 3.09Å; F69-I72 PolarHBondContact O-N 3.39Å; I72-T74 VanDerWaalsContact C-N 3.26Å; I72-T74 PolarHBondContact O-N 3.29Å; I72-L75 PolarHBondContact O-N 3.41Å; I72-M76 HydrophobicContact CG2-CE 3.44Å; I72-M76 VanDerWaalsContact CG2-CE 3.44Å; I72-M76 WeakPolarHBondContact O-CB 3.14Å; I72-M76 PolarHBondContact O-N 2.84Å |
| 73 | F | 58.3 | Low | 56.7 | Low | 85 Ų | 85 | 111.1 Ų | 111.1 | 37% | 0.373 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -63.6 | -28.5 | 176.1 | -100.1 | -98.5 | 0 | 0 | 0 | 113.5 | F69 Q70 M76 | F69-F73 AromaticContact CD1-CD2 3.69Å; F69-F73 HydrophobicContact CD1-CD2 3.69Å; F69-F73 AromaticContact CD1-CE2 3.69Å; F69-F73 HydrophobicContact CD1-CE2 3.69Å; F69-F73 AromaticContact CE1-CD2 3.66Å; F69-F73 HydrophobicContact CE1-CD2 3.66Å; F69-F73 AromaticContact CE1-CE2 3.12Å; F69-F73 HydrophobicContact CE1-CE2 3.12Å; F69-F73 HydrophobicContact CE1-CZ 4.05Å; F69-F73 HydrophobicContact CE2-CE2 4.48Å; F69-F73 HydrophobicContact CG-CD2 4.41Å; F69-F73 HydrophobicContact CZ-CD2 4.31Å; F69-F73 AromaticContact CZ-CE2 3.59Å; F69-F73 HydrophobicContact CZ-CE2 3.59Å; F69-F73 WeakPolarHBondContact O-CB 3.37Å; F69-F73 WeakPolarHBondContact O-CD2 3.39Å; F69-F73 PolarHBondContact O-N 3.24Å; Q70-F73 PolarHBondContact O-N 2.9Å; F73-M76 CarbonylContact C-O 3.46Å; F73-M76 CarbonylContact O-C 3.51Å |
| 74 | T | 62.6 | Low | 56.2 | Low | 107 Ų | 107 | 115.1 Ų | 115.1 | 66% | 0.656 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -79.8 | -35.2 | 177.5 | -53.4 | 0 | 0 | 0 | 0 | 111.3 | Q70 L71 I72 | Q70-T74 WeakPolarHBondContact O-CB 3.16Å; Q70-T74 PolarHBondContact O-N 3.44Å; Q70-T74 PolarHBondContact O-OG1 2.99Å; L71-T74 PolarHBondContact O-N 3.02Å; I72-T74 VanDerWaalsContact C-N 3.26Å; I72-T74 PolarHBondContact O-N 3.29Å |
| 75 | L | 66 | Low | 55.5 | Low | 149 Ų | 149 | 118.9 Ų | 118.9 | 78% | 0.78 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -82.6 | -38.1 | 179.1 | -68.5 | 173.8 | 0 | 0 | 0 | 113 | L71 I72 | L71-L75 WeakPolarHBondContact O-CB 3.23Å; L71-L75 VanDerWaalsContact O-CG 3.27Å; L71-L75 WeakPolarHBondContact O-CG 3.36Å; L71-L75 PolarHBondContact O-N 3.23Å; I72-L75 PolarHBondContact O-N 3.41Å |
| 76 | M | 63.5 | Low | 54.6 | Low | 136 Ų | 136 | 119.5 Ų | 119.5 | 67% | 0.67 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -100.1 | 89.6 | 168 | -59.3 | -157.4 | -66.4 | 0 | 0 | 106.6 | I72 F73 | I72-M76 HydrophobicContact CG2-CE 3.44Å; I72-M76 VanDerWaalsContact CG2-CE 3.44Å; I72-M76 WeakPolarHBondContact O-CB 3.14Å; I72-M76 PolarHBondContact O-N 2.84Å; F73-M76 CarbonylContact C-O 3.46Å; F73-M76 CarbonylContact O-C 3.51Å |
| 77 | G | 54.6 | Low | 53.8 | Low | 45 Ų | 45 | 126.4 Ų | 126.4 | 46% | 0.464 | 65% | 0.652 | S | S | . | * | trans | -45.9 | 163.8 | -168.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | S79 | G77-S79 VanDerWaalsContact C-N 3.29Å; G77-S79 PolarHBondContact O-N 3.31Å | ||
| 78 | P | 53.4 | Low | 53 | Low | 118 Ų | 118 | 127.9 Ų | 127.9 | 77% | 0.766 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -71.3 | 73.4 | -167.2 | 31.5 | -37.3 | 0 | 0 | 0 | 112.9 | ||
| 79 | S | 49.5 | Very low | 52.2 | Low | 112 Ų | 112 | 129.3 Ų | 129.3 | 78% | 0.783 | 68% | 0.675 | S | S | * | * | trans | -118.6 | 26.3 | 177.3 | -68.9 | 0 | 0 | 0 | 0 | 113.2 | G77 | G77-S79 VanDerWaalsContact C-N 3.29Å; G77-S79 PolarHBondContact O-N 3.31Å | ||
| 80 | L | 44.9 | Very low | 51.4 | Low | 131 Ų | 131 | 126 Ų | 126 | 69% | 0.686 | 68% | 0.676 | S | S | * | * | trans | -133.8 | 53.5 | 167.9 | -135.3 | 74.7 | 0 | 0 | 0 | 111 | L82 | L80-L82 PolarHBondContact O-N 2.9Š| ||
| 81 | Q | 41.9 | Very low | 50.4 | Low | 168 Ų | 168 | 131.7 Ų | 131.7 | 79% | 0.785 | 69% | 0.693 | S | S | * | * | trans | -57.3 | 115.1 | 143.7 | -102.8 | -77.5 | -15.9 | 0 | 0 | 105.5 | E83 | Q81-E83 PolarHBondContact O-N 3.42Š| ||
| 82 | L | 40.7 | Very low | 49.6 | Very low | 148 Ų | 148 | 138.3 Ų | 138.3 | 78% | 0.775 | 73% | 0.727 | S | S | * | * | trans | -65.6 | 72 | 170.1 | -127.6 | 89.7 | 0 | 0 | 0 | 108.2 | L80 D84 | L80-L82 PolarHBondContact O-N 2.9Å; L82-D84 PolarHBondContact O-N 2.84Å; L82-D84 VanDerWaalsContact O-N 3.09Å | ||
| 83 | E | 43.5 | Very low | 48.8 | Very low | 182 Ų | 182 | 142.5 Ų | 142.5 | 85% | 0.85 | 75% | 0.75 | S | S | * | * | trans | -74.3 | 79.9 | 152.7 | -85.7 | -172.5 | 82.2 | 0 | 0 | 107 | Q81 | Q81-E83 PolarHBondContact O-N 3.42Š| ||
| 84 | D | 47.3 | Very low | 48.3 | Very low | 136 Ų | 136 | 145.5 Ų | 145.5 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | -133.2 | 73.2 | 153.6 | -149.1 | -51.8 | 0 | 0 | 0 | 109.7 | L82 G86 | L82-D84 PolarHBondContact O-N 2.84Å; L82-D84 VanDerWaalsContact O-N 3.09Å; D84-G86 VanDerWaalsContact C-N 3.33Å; D84-G86 PolarHBondContact OD1-N 2.86Å; D84-G86 VanDerWaalsContact OD1-N 3.11Å | ||
| 85 | K | 44.3 | Very low | 47.5 | Very low | 210 Ų | 210 | 147.6 Ų | 147.6 | 91% | 0.913 | 78% | 0.776 | S | S | * | * | trans | -103.7 | 63.2 | 147.6 | -124.8 | 178.8 | -178.4 | 179.8 | 0 | 107.5 | R87 | K85-R87 PolarHBondContact O-N 3.02Å; K85-R87 VanDerWaalsContact O-N 3.08Å | ||
| 86 | G | 42.8 | Very low | 46.4 | Very low | 55 Ų | 55 | 147.5 Ų | 147.5 | 57% | 0.567 | 78% | 0.775 | S | S | * | * | trans | -57.9 | 109 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | D84 | D84-G86 VanDerWaalsContact C-N 3.33Å; D84-G86 PolarHBondContact OD1-N 2.86Å; D84-G86 VanDerWaalsContact OD1-N 3.11Å | ||
| 87 | R | 44.1 | Very low | 45.3 | Very low | 211 Ų | 211 | 148.3 Ų | 148.3 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | trans | 61.2 | 112 | 134.7 | -168.3 | -175.4 | -62.1 | 158.4 | 2.5 | 117.9 | K85 | K85-R87 PolarHBondContact O-N 3.02Å; K85-R87 VanDerWaalsContact O-N 3.08Å | ||
| 88 | I | 41.7 | Very low | 44.7 | Very low | 159 Ų | 159 | 155.1 Ų | 155.1 | 82% | 0.815 | 80% | 0.803 | S | S | * | * | -130.2 | 96.3 | 124.5 | -53.1 | -74.2 | 0 | 0 | 0 | 108 | |||||
| 89 | L | 46.6 | Very low | 44.1 | Very low | 168 Ų | 168 | 157.8 Ų | 157.8 | 88% | 0.88 | 81% | 0.806 | S | S | * | * | trans | -69 | 119.9 | 149 | -98.6 | 158.3 | 0 | 0 | 0 | 106.4 | ||||
| 90 | G | 42 | Very low | 43.7 | Very low | 55 Ų | 55 | 161.3 Ų | 161.3 | 57% | 0.567 | 81% | 0.808 | S | S | * | * | trans | 131.3 | 97.7 | 163.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 91 | R | 41.5 | Very low | 43.6 | Very low | 235 Ų | 235 | 163.8 Ų | 163.8 | 89% | 0.887 | 82% | 0.818 | S | S | * | * | 179.4 | 121.5 | 123.9 | -100.6 | 178.9 | -162.8 | -142.1 | 3.6 | 110.8 | |||||
| 92 | L | 46.3 | Very low | 43.7 | Very low | 239 Ų | 239 | 163.5 Ų | 163.5 | 100% | 1.251 | 82% | 0.821 | S | S | * | * | trans | 56.7 | 0 | 161.3 | -72 | 96.8 | 0 | 0 | 0 | 118.5 |
Retrieved 92 of 92 residues in 130.3 ms
(Link to these results)