| 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 | 37 | Very low | 57.3 | Low | 119 Ų | 119 | 94.2 Ų | 94.2 | 59% | 0.586 | 48% | 0.48 | S | S | * | . | 0 | 120.3 | 0 | -72.9 | -80.3 | -87.3 | 0 | 0 | 105.1 | E3 L52 G54 K55 | M1-E3 PolarHBondContact O-N 3.49Å; M1-L52 HydrophobicContact CE-CD2 4.26Å; M1-G54 WeakPolarHBondContact CB-O 3.23Å; M1-G54 VanDerWaalsContact CG-O 3.32Å; M1-G54 WeakPolarHBondContact CG-O 3.48Å; M1-G54 PolarHBondContact N-O 2.98Å; M1-K55 PolarHBondContact N-O 2.75Å; M1-K55 VanDerWaalsContact O-O 3.11Å | |||
| 2 | S | 40.6 | Very low | 58.4 | Low | 79 Ų | 79 | 103.8 Ų | 103.8 | 55% | 0.552 | 51% | 0.506 | S | S | * | . | trans | -57.1 | 136.4 | -174.9 | -70.5 | 0 | 0 | 0 | 0 | 110.2 | S4 E5 | S2-S4 WeakPolarHBondContact CB-OG 3.14Å; S2-S4 PolarHBondContact O-N 2.84Å; S2-E5 PolarHBondContact O-N 3.43Å | ||
| 3 | E | 49.2 | Very low | 59.5 | Low | 73 Ų | 73 | 98.5 Ų | 98.5 | 34% | 0.341 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -52.5 | -21.5 | 171.5 | -65.2 | 169 | 71.3 | 0 | 0 | 113.4 | M1 E5 L6 G7 V57 K58 | M1-E3 PolarHBondContact O-N 3.49Å; E3-E5 VanDerWaalsContact C-N 3.32Å; E3-E5 PolarHBondContact O-N 3.49Å; E3-L6 PolarHBondContact O-N 2.77Å; E3-G7 WeakPolarHBondContact O-CA 3.19Å; E3-G7 PolarHBondContact O-N 2.87Å; E3-V57 VanDerWaalsContact CG-C 3.44Å; E3-V57 VanDerWaalsContact CG-O 3.22Å; E3-V57 WeakPolarHBondContact CG-O 3.3Å; E3-V57 WeakPolarHBondContact OE2-CB 3.47Å; E3-V57 WeakPolarHBondContact OE2-CG1 3.47Å; E3-K58 VanDerWaalsContact OE1-CA 3.22Å; E3-K58 WeakPolarHBondContact OE1-CA 3.24Å; E3-K58 PolarHBondContact OE1-N 2.97Å; E3-K58 PolarHBondContact OE2-N 3.37Å |
| 4 | S | 53.2 | Low | 60.3 | Low | 66 Ų | 66 | 97.4 Ų | 97.4 | 46% | 0.462 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.2 | -29.1 | 172.3 | 51.9 | 0 | 0 | 0 | 0 | 113.5 | S2 R8 | S2-S4 WeakPolarHBondContact CB-OG 3.14Å; S2-S4 PolarHBondContact O-N 2.84Å; S4-R8 WeakPolarHBondContact O-CB 3.42Å; S4-R8 VanDerWaalsContact O-CG 3.26Å; S4-R8 WeakPolarHBondContact O-CG 3.21Å; S4-R8 PolarHBondContact O-N 2.76Å |
| 5 | E | 55 | Low | 61 | Low | 92 Ų | 92 | 94.2 Ų | 94.2 | 43% | 0.43 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -78.1 | -39.5 | 172.7 | -63.6 | -134 | 98.3 | 0 | 0 | 112 | S2 E3 R8 K9 | S2-E5 PolarHBondContact O-N 3.43Å; E3-E5 VanDerWaalsContact C-N 3.32Å; E3-E5 PolarHBondContact O-N 3.49Å; E5-R8 PolarHBondContact O-N 3.05Å; E5-R8 IonicContact OE1-NH2 3.61Å; E5-K9 PolarHBondContact O-N 3.04Å |
| 6 | L | 60.6 | Low | 61.6 | Low | 88 Ų | 88 | 94.9 Ų | 94.9 | 46% | 0.461 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.8 | -46 | 174.3 | -175.4 | 56 | 0 | 0 | 0 | 109.9 | E3 K9 W10 F46 | E3-L6 PolarHBondContact O-N 2.77Å; L6-K9 PolarHBondContact O-N 3.32Å; L6-W10 PolarHBondContact O-N 3.27Å; L6-F46 HydrophobicContact CD1-CD1 4.13Å; L6-F46 HydrophobicContact CD1-CE1 3.56Å; L6-F46 HydrophobicContact CD1-CZ 4.37Å |
| 7 | G | 63.2 | Low | 61.9 | Low | 34 Ų | 34 | 90.2 Ų | 90.2 | 35% | 0.351 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -57.4 | -49.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | E3 K9 W10 D11 | E3-G7 WeakPolarHBondContact O-CA 3.19Å; E3-G7 PolarHBondContact O-N 2.87Å; G7-K9 VanDerWaalsContact C-N 3.31Å; G7-K9 PolarHBondContact O-N 3.47Å; G7-W10 CarbonylContact O-C 3.6Å; G7-W10 PolarHBondContact O-N 2.98Å; G7-D11 VanDerWaalsContact O-CB 3.22Å; G7-D11 WeakPolarHBondContact O-CB 3.34Å; G7-D11 PolarHBondContact O-N 3.41Å |
| 8 | R | 65.4 | Low | 62.4 | Low | 158 Ų | 158 | 90.4 Ų | 90.4 | 60% | 0.596 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -60.9 | -35.5 | 175.4 | -80.1 | -171.3 | -64.8 | -122.3 | 6.5 | 113.7 | S4 E5 R12 | S4-R8 WeakPolarHBondContact O-CB 3.42Å; S4-R8 VanDerWaalsContact O-CG 3.26Å; S4-R8 WeakPolarHBondContact O-CG 3.21Å; S4-R8 PolarHBondContact O-N 2.76Å; E5-R8 PolarHBondContact O-N 3.05Å; E5-R8 IonicContact OE1-NH2 3.61Å; R8-R12 WeakPolarHBondContact O-CB 3.32Å; R8-R12 PolarHBondContact O-N 3.19Å |
| 9 | K | 65.6 | Low | 62.8 | Low | 140 Ų | 140 | 90.3 Ų | 90.3 | 61% | 0.609 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -69.7 | -44.8 | 174.1 | -84.3 | -172 | 174.3 | -169.1 | 0 | 111.8 | E5 L6 G7 R12 C13 F46 | E5-K9 PolarHBondContact O-N 3.04Å; L6-K9 PolarHBondContact O-N 3.32Å; G7-K9 VanDerWaalsContact C-N 3.31Å; G7-K9 PolarHBondContact O-N 3.47Å; K9-R12 PolarHBondContact O-N 3.06Å; K9-C13 VanDerWaalsContact O-CB 3.28Å; K9-C13 WeakPolarHBondContact O-CB 3.22Å; K9-C13 PolarHBondContact O-N 2.76Å; K9-F46 HydrophobicContact CB-CE1 4.49Å; K9-F46 HydrophobicContact CB-CZ 4.39Å |
| 10 | W | 70.2 | Confident | 62.9 | Low | 70 Ų | 70 | 93.1 Ų | 93.1 | 27% | 0.265 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.2 | -45.2 | 174.4 | -83.2 | 108.4 | 0 | 0 | 0 | 111.3 | L6 G7 R12 C13 L14 C42 F46 | L6-W10 PolarHBondContact O-N 3.27Å; G7-W10 CarbonylContact O-C 3.6Å; G7-W10 PolarHBondContact O-N 2.98Å; W10-R12 PolarHBondContact O-N 3.45Å; W10-C13 PolarHBondContact O-N 2.69Å; W10-L14 HydrophobicContact CB-CD1 4.47Å; W10-L14 HydrophobicContact CE3-CG 4.48Å; W10-L14 WeakPolarHBondContact O-CB 3.22Å; W10-L14 WeakPolarHBondContact O-CG 3.26Å; W10-L14 PolarHBondContact O-N 2.82Å; W10-C42 HydrophobicContact CZ3-CB 4.33Å; W10-F46 AromaticContact CD1-CZ 3.67Å; W10-F46 HydrophobicContact CD2-CD2 4.22Å; W10-F46 HydrophobicContact CD2-CE1 4.47Å; W10-F46 AromaticContact CD2-CE2 3.34Å; W10-F46 HydrophobicContact CD2-CE2 3.34Å; W10-F46 AromaticContact CD2-CZ 3.48Å; W10-F46 HydrophobicContact CD2-CZ 3.48Å; W10-F46 VanDerWaalsContact CD2-CZ 3.48Å; W10-F46 AromaticContact CE2-CD2 3.65Å; W10-F46 AromaticContact CE2-CE1 3.95Å; W10-F46 AromaticContact CE2-CE2 3.17Å; W10-F46 AromaticContact CE2-CZ 3.33Å; W10-F46 HydrophobicContact CE3-CD2 4.37Å; W10-F46 AromaticContact CE3-CE2 3.55Å; W10-F46 HydrophobicContact CE3-CE2 3.55Å; W10-F46 HydrophobicContact CE3-CZ 4.13Å; W10-F46 HydrophobicContact CG-CE2 4.07Å; W10-F46 AromaticContact CG-CZ 3.7Å; W10-F46 HydrophobicContact CG-CZ 3.7Å; W10-F46 AromaticContact CH2-CD2 3.43Å; W10-F46 HydrophobicContact CH2-CD2 3.43Å; W10-F46 VanDerWaalsContact CH2-CD2 3.43Å; W10-F46 AromaticContact CH2-CE2 3.48Å; W10-F46 HydrophobicContact CH2-CE2 3.48Å; W10-F46 VanDerWaalsContact CH2-CE2 3.48Å; W10-F46 HydrophobicContact CH2-CG 4.43Å; W10-F46 HydrophobicContact CH2-CZ 4.45Å; W10-F46 HydrophobicContact CZ2-CD1 4.41Å; W10-F46 AromaticContact CZ2-CD2 3.23Å; W10-F46 HydrophobicContact CZ2-CD2 3.23Å; W10-F46 HydrophobicContact CZ2-CE1 4.39Å; W10-F46 AromaticContact CZ2-CE2 3.26Å; W10-F46 HydrophobicContact CZ2-CE2 3.26Å; W10-F46 AromaticContact CZ2-CG 3.89Å; W10-F46 HydrophobicContact CZ2-CG 3.89Å; W10-F46 AromaticContact CZ2-CZ 3.87Å; W10-F46 HydrophobicContact CZ2-CZ 3.87Å; W10-F46 HydrophobicContact CZ3-CD2 4.01Å; W10-F46 AromaticContact CZ3-CE2 3.61Å; W10-F46 HydrophobicContact CZ3-CE2 3.61Å; W10-F46 AromaticContact NE1-CE1 3.69Å; W10-F46 AromaticContact NE1-CE2 3.78Å; W10-F46 AromaticContact NE1-CZ 3.41Å |
| 11 | D | 70.8 | Confident | 63 | Low | 117 Ų | 117 | 90.2 Ų | 90.2 | 63% | 0.626 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -62.4 | -43.6 | 179.8 | -150.1 | -89.7 | 0 | 0 | 0 | 110.9 | G7 A15 | G7-D11 VanDerWaalsContact O-CB 3.22Å; G7-D11 WeakPolarHBondContact O-CB 3.34Å; G7-D11 PolarHBondContact O-N 3.41Å; D11-A15 WeakPolarHBondContact O-CB 3.17Å; D11-A15 PolarHBondContact O-N 3.37Å |
| 12 | R | 70.6 | Confident | 64.4 | Low | 209 Ų | 209 | 86.5 Ų | 86.5 | 79% | 0.789 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -66 | -40.4 | 175 | -169.8 | 171.7 | -180 | -156.5 | -1.3 | 112.7 | R8 K9 W10 D16 | R8-R12 WeakPolarHBondContact O-CB 3.32Å; R8-R12 PolarHBondContact O-N 3.19Å; K9-R12 PolarHBondContact O-N 3.06Å; W10-R12 PolarHBondContact O-N 3.45Å; R12-D16 PolarHBondContact O-N 3.46Å |
| 13 | C | 72.6 | Confident | 65.5 | Low | 35 Ų | 35 | 92.9 Ų | 92.9 | 24% | 0.236 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -71.3 | -42.1 | 179.6 | -152.4 | 0 | 0 | 0 | 0 | 111.1 | K9 W10 A17 C42 | K9-C13 VanDerWaalsContact O-CB 3.28Å; K9-C13 WeakPolarHBondContact O-CB 3.22Å; K9-C13 PolarHBondContact O-N 2.76Å; W10-C13 PolarHBondContact O-N 2.69Å; C13-A17 WeakPolarHBondContact O-CB 3.36Å; C13-A17 PolarHBondContact O-N 3.37Å; C13-C42 HydrophobicContact CB-CB 4.2Å; C13-C42 WeakPolarHBondContact CB-SG 3.08Å; C13-C42 WeakPolarHBondContact SG-CB 3.26Å; C13-C42 CovalentContact SG-SG 2.06Å; C13-C42 PolarHBondContact SG-SG 3Å |
| 14 | L | 71 | Confident | 66.1 | Low | 84 Ų | 84 | 95.3 Ų | 95.3 | 44% | 0.44 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.4 | -38.2 | 173.8 | -73.3 | 169.7 | 0 | 0 | 0 | 111.1 | W10 A17 V18 | W10-L14 HydrophobicContact CB-CD1 4.47Å; W10-L14 HydrophobicContact CE3-CG 4.48Å; W10-L14 WeakPolarHBondContact O-CB 3.22Å; W10-L14 WeakPolarHBondContact O-CG 3.26Å; W10-L14 PolarHBondContact O-N 2.82Å; L14-A17 CarbonylContact O-C 3.58Å; L14-A17 PolarHBondContact O-N 2.72Å; L14-V18 WeakPolarHBondContact O-CA 3.39Å; L14-V18 WeakPolarHBondContact O-CB 3.1Å; L14-V18 WeakPolarHBondContact O-CG2 3.22Å; L14-V18 PolarHBondContact O-N 2.72Å |
| 15 | A | 70.4 | Confident | 66.6 | Low | 49 Ų | 49 | 96.8 Ų | 96.8 | 41% | 0.405 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.1 | -45.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D11 A17 V18 V19 | D11-A15 WeakPolarHBondContact O-CB 3.17Å; D11-A15 PolarHBondContact O-N 3.37Å; A15-A17 VanDerWaalsContact C-N 3.33Å; A15-A17 PolarHBondContact O-N 3.23Å; A15-V18 PolarHBondContact O-N 3.2Å; A15-V19 WeakPolarHBondContact O-CB 3.44Å; A15-V19 VanDerWaalsContact O-CG2 3.25Å; A15-V19 WeakPolarHBondContact O-CG2 2.8Å; A15-V19 PolarHBondContact O-N 2.93Å |
| 16 | D | 69.7 | Low | 67 | Low | 106 Ų | 106 | 96.6 Ų | 96.6 | 57% | 0.567 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.1 | -41.8 | 176 | -162.7 | -94.4 | 0 | 0 | 0 | 110.9 | R12 V19 K20 | R12-D16 PolarHBondContact O-N 3.46Å; D16-V19 PolarHBondContact O-N 3.39Å; D16-K20 WeakPolarHBondContact O-CB 3.15Å; D16-K20 PolarHBondContact O-N 3.03Å |
| 17 | A | 67.3 | Low | 67.3 | Low | 14 Ų | 14 | 98.3 Ų | 98.3 | 12% | 0.116 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -59.8 | -54.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | C13 L14 A15 V19 K20 I21 A38 | C13-A17 WeakPolarHBondContact O-CB 3.36Å; C13-A17 PolarHBondContact O-N 3.37Å; L14-A17 CarbonylContact O-C 3.58Å; L14-A17 PolarHBondContact O-N 2.72Å; A15-A17 VanDerWaalsContact C-N 3.33Å; A15-A17 PolarHBondContact O-N 3.23Å; A17-V19 VanDerWaalsContact C-N 3.28Å; A17-V19 PolarHBondContact O-N 3.29Å; A17-K20 PolarHBondContact O-N 2.85Å; A17-K20 VanDerWaalsContact O-N 3.16Å; A17-I21 HydrophobicContact CB-CD1 3.94Å; A17-I21 WeakPolarHBondContact O-CA 3.28Å; A17-I21 WeakPolarHBondContact O-CB 2.95Å; A17-I21 WeakPolarHBondContact O-CD1 3.25Å; A17-I21 WeakPolarHBondContact O-CG1 3Å; A17-I21 PolarHBondContact O-N 3.35Å; A17-A38 HydrophobicContact CB-CB 4.32Å |
| 18 | V | 70.2 | Confident | 67.2 | Low | 95 Ų | 95 | 97.5 Ų | 97.5 | 58% | 0.576 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61.5 | -30.9 | 179.4 | 169 | 0 | 0 | 0 | 0 | 112.3 | L14 A15 G22 | L14-V18 WeakPolarHBondContact O-CA 3.39Å; L14-V18 WeakPolarHBondContact O-CB 3.1Å; L14-V18 WeakPolarHBondContact O-CG2 3.22Å; L14-V18 PolarHBondContact O-N 2.72Å; A15-V18 PolarHBondContact O-N 3.2Å; V18-G22 WeakPolarHBondContact O-CA 2.95Å; V18-G22 PolarHBondContact O-N 2.7Å |
| 19 | V | 70.4 | Confident | 67.1 | Low | 87 Ų | 87 | 94.9 Ų | 94.9 | 53% | 0.527 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -74.1 | -44.8 | 174.2 | 169.4 | 0 | 0 | 0 | 0 | 111 | A15 D16 A17 R23 | A15-V19 WeakPolarHBondContact O-CB 3.44Å; A15-V19 VanDerWaalsContact O-CG2 3.25Å; A15-V19 WeakPolarHBondContact O-CG2 2.8Å; A15-V19 PolarHBondContact O-N 2.93Å; D16-V19 PolarHBondContact O-N 3.39Å; A17-V19 VanDerWaalsContact C-N 3.28Å; A17-V19 PolarHBondContact O-N 3.29Å; V19-R23 WeakPolarHBondContact O-CG 3.43Å; V19-R23 PolarHBondContact O-N 3.5Å; V19-R23 VanDerWaalsContact O-N 3.09Å |
| 20 | K | 65 | Low | 67.1 | Low | 147 Ų | 147 | 91.5 Ų | 91.5 | 64% | 0.639 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -73.2 | -41.1 | -177.7 | -156.3 | 174.2 | -168.9 | -177.7 | 0 | 111.9 | D16 A17 | D16-K20 WeakPolarHBondContact O-CB 3.15Å; D16-K20 PolarHBondContact O-N 3.03Å; A17-K20 PolarHBondContact O-N 2.85Å; A17-K20 VanDerWaalsContact O-N 3.16Å |
| 21 | I | 64.8 | Low | 67 | Low | 32 Ų | 32 | 92.6 Ų | 92.6 | 16% | 0.164 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -66.9 | -53 | 168.7 | -66.6 | 170.7 | 0 | 0 | 0 | 109 | A17 R23 M24 W25 A38 | A17-I21 HydrophobicContact CB-CD1 3.94Å; A17-I21 WeakPolarHBondContact O-CA 3.28Å; A17-I21 WeakPolarHBondContact O-CB 2.95Å; A17-I21 WeakPolarHBondContact O-CD1 3.25Å; A17-I21 WeakPolarHBondContact O-CG1 3Å; A17-I21 PolarHBondContact O-N 3.35Å; I21-R23 PolarHBondContact O-N 2.92Å; I21-R23 VanDerWaalsContact O-N 3.1Å; I21-M24 CarbonylContact O-C 3.57Å; I21-M24 VanDerWaalsContact O-C 3.3Å; I21-M24 WeakPolarHBondContact O-CA 3.23Å; I21-M24 PolarHBondContact O-N 3.5Å; I21-W25 HydrophobicContact CB-CE3 4.4Å; I21-W25 HydrophobicContact CG2-CB 3.86Å; I21-W25 HydrophobicContact CG2-CD2 3.73Å; I21-W25 HydrophobicContact CG2-CE3 2.9Å; I21-W25 HydrophobicContact CG2-CG 4.2Å; I21-W25 HydrophobicContact CG2-CZ3 3.37Å; I21-W25 WeakPolarHBondContact O-CA 3.5Å; I21-W25 WeakPolarHBondContact O-CB 3.17Å; I21-W25 PolarHBondContact O-N 2.86Å; I21-A38 HydrophobicContact CD1-CB 3.29Å; I21-A38 HydrophobicContact CG1-CB 3.53Å |
| 22 | G | 66.1 | Low | 66.6 | Low | 42 Ų | 42 | 90.3 Ų | 90.3 | 43% | 0.433 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.3 | -28.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | V18 P26 | V18-G22 WeakPolarHBondContact O-CA 2.95Å; V18-G22 PolarHBondContact O-N 2.7Å; G22-P26 VanDerWaalsContact O-CD 3.26Å; G22-P26 WeakPolarHBondContact O-CD 3.09Å |
| 23 | R | 65.2 | Low | 66.3 | Low | 212 Ų | 212 | 88.4 Ų | 88.4 | 80% | 0.8 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -70.6 | -29.1 | 168.4 | -76.8 | -177 | 177 | 178.8 | 1.1 | 114 | V19 I21 | V19-R23 WeakPolarHBondContact O-CG 3.43Å; V19-R23 PolarHBondContact O-N 3.5Å; V19-R23 VanDerWaalsContact O-N 3.09Å; I21-R23 PolarHBondContact O-N 2.92Å; I21-R23 VanDerWaalsContact O-N 3.1Å |
| 24 | M | 61.5 | Low | 65.7 | Low | 125 Ų | 125 | 88.5 Ų | 88.5 | 62% | 0.616 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -109.6 | -12 | -174.2 | -159.8 | 154.5 | 64.2 | 0 | 0 | 113.6 | I21 L27 A28 | I21-M24 CarbonylContact O-C 3.57Å; I21-M24 VanDerWaalsContact O-C 3.3Å; I21-M24 WeakPolarHBondContact O-CA 3.23Å; I21-M24 PolarHBondContact O-N 3.5Å; M24-L27 WeakPolarHBondContact O-CB 3.05Å; M24-L27 PolarHBondContact O-N 3.3Å; M24-A28 VanDerWaalsContact O-CB 3.3Å; M24-A28 WeakPolarHBondContact O-CB 3.16Å; M24-A28 PolarHBondContact O-N 3.47Å |
| 25 | W | 63 | Low | 65 | Low | 96 Ų | 96 | 89.4 Ų | 89.4 | 36% | 0.364 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -71.5 | -38.3 | -174.6 | -174.7 | -84.3 | 0 | 0 | 0 | 112.7 | I21 L27 A28 F29 L35 | I21-W25 HydrophobicContact CB-CE3 4.4Å; I21-W25 HydrophobicContact CG2-CB 3.86Å; I21-W25 HydrophobicContact CG2-CD2 3.73Å; I21-W25 HydrophobicContact CG2-CE3 2.9Å; I21-W25 HydrophobicContact CG2-CG 4.2Å; I21-W25 HydrophobicContact CG2-CZ3 3.37Å; I21-W25 WeakPolarHBondContact O-CA 3.5Å; I21-W25 WeakPolarHBondContact O-CB 3.17Å; I21-W25 PolarHBondContact O-N 2.86Å; W25-L27 PolarHBondContact O-N 2.9Å; W25-A28 PolarHBondContact O-N 3.2Å; W25-F29 AromaticContact CD1-CD2 3.4Å; W25-F29 AromaticContact CD1-CE2 3.95Å; W25-F29 AromaticContact CD1-CG 3.67Å; W25-F29 AromaticContact CD2-CD2 3.19Å; W25-F29 HydrophobicContact CD2-CD2 3.19Å; W25-F29 AromaticContact CD2-CE2 3.08Å; W25-F29 HydrophobicContact CD2-CE2 3.08Å; W25-F29 HydrophobicContact CD2-CG 4.18Å; W25-F29 AromaticContact CD2-CZ 3.94Å; W25-F29 HydrophobicContact CD2-CZ 3.94Å; W25-F29 AromaticContact CE2-CD2 3.24Å; W25-F29 AromaticContact CE2-CE1 3.9Å; W25-F29 AromaticContact CE2-CE2 2.88Å; W25-F29 AromaticContact CE2-CG 3.92Å; W25-F29 AromaticContact CE2-CZ 3.23Å; W25-F29 AromaticContact CE3-CD2 3.72Å; W25-F29 HydrophobicContact CE3-CD2 3.72Å; W25-F29 AromaticContact CE3-CE2 3.26Å; W25-F29 HydrophobicContact CE3-CE2 3.26Å; W25-F29 HydrophobicContact CE3-CZ 4.22Å; W25-F29 AromaticContact CG-CD2 3.46Å; W25-F29 HydrophobicContact CG-CD2 3.46Å; W25-F29 VanDerWaalsContact CG-CD2 3.46Å; W25-F29 AromaticContact CG-CE2 3.89Å; W25-F29 HydrophobicContact CG-CE2 3.89Å; W25-F29 HydrophobicContact CG-CG 4.18Å; W25-F29 AromaticContact CH2-CE2 3.52Å; W25-F29 HydrophobicContact CH2-CE2 3.52Å; W25-F29 AromaticContact CH2-CZ 3.64Å; W25-F29 HydrophobicContact CH2-CZ 3.64Å; W25-F29 AromaticContact CZ2-CD2 3.96Å; W25-F29 HydrophobicContact CZ2-CD2 3.96Å; W25-F29 AromaticContact CZ2-CE1 3.9Å; W25-F29 HydrophobicContact CZ2-CE1 3.9Å; W25-F29 AromaticContact CZ2-CE2 3.11Å; W25-F29 HydrophobicContact CZ2-CE2 3.11Å; W25-F29 AromaticContact CZ2-CZ 3.03Å; W25-F29 HydrophobicContact CZ2-CZ 3.03Å; W25-F29 HydrophobicContact CZ3-CD2 4.47Å; W25-F29 AromaticContact CZ3-CE2 3.59Å; W25-F29 HydrophobicContact CZ3-CE2 3.59Å; W25-F29 HydrophobicContact CZ3-CZ 4.19Å; W25-F29 AromaticContact NE1-CD1 3.72Å; W25-F29 AromaticContact NE1-CD2 3.19Å; W25-F29 AromaticContact NE1-CE1 3.79Å; W25-F29 AromaticContact NE1-CE2 3.33Å; W25-F29 VanDerWaalsContact NE1-CE2 3.33Å; W25-F29 AromaticContact NE1-CG 3.42Å; W25-F29 AromaticContact NE1-CZ 3.6Å; W25-F29 VanDerWaalsContact O-CB 3.23Å; W25-F29 WeakPolarHBondContact O-CB 3.44Å; W25-F29 PolarHBondContact O-N 2.06Å; W25-L35 HydrophobicContact CE3-CD2 3.88Å; W25-L35 HydrophobicContact CH2-CD2 3.05Å; W25-L35 HydrophobicContact CH2-CG 4.45Å; W25-L35 HydrophobicContact CZ2-CD2 3.92Å; W25-L35 HydrophobicContact CZ3-CD2 3.02Å; W25-L35 HydrophobicContact CZ3-CG 4.37Å |
| 26 | P | 63.4 | Low | 64.5 | Low | 89 Ų | 89 | 89.3 Ų | 89.3 | 58% | 0.578 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -56.6 | -37.8 | 172.8 | -23.1 | 32.9 | 0 | 0 | 0 | 111.6 | G22 G30 | G22-P26 VanDerWaalsContact O-CD 3.26Å; G22-P26 WeakPolarHBondContact O-CD 3.09Å; P26-G30 WeakPolarHBondContact O-CA 3.1Å; P26-G30 PolarHBondContact O-N 3.41Å |
| 27 | L | 66.4 | Low | 63.9 | Low | 124 Ų | 124 | 92.3 Ų | 92.3 | 65% | 0.649 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -77 | -41.3 | 177.3 | -72.1 | 158.9 | 0 | 0 | 0 | 112 | M24 W25 S31 | M24-L27 WeakPolarHBondContact O-CB 3.05Å; M24-L27 PolarHBondContact O-N 3.3Å; W25-L27 PolarHBondContact O-N 2.9Å; L27-S31 VanDerWaalsContact O-CB 3.24Å; L27-S31 WeakPolarHBondContact O-CB 3.45Å; L27-S31 PolarHBondContact O-N 2.87Å; L27-S31 PolarHBondContact O-OG 3.07Å |
| 28 | A | 61.6 | Low | 63.5 | Low | 17 Ų | 17 | 92.8 Ų | 92.8 | 14% | 0.14 | 54% | 0.537 | C | S | . | . | H | α-helix | trans | -75.9 | -35.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | M24 W25 S31 G32 M33 | M24-A28 VanDerWaalsContact O-CB 3.3Å; M24-A28 WeakPolarHBondContact O-CB 3.16Å; M24-A28 PolarHBondContact O-N 3.47Å; W25-A28 PolarHBondContact O-N 3.2Å; A28-S31 CarbonylContact O-C 3.43Å; A28-S31 PolarHBondContact O-N 3.3Å; A28-G32 PolarHBondContact O-N 3.15Å; A28-M33 WeakPolarHBondContact CB-O 3.14Å; A28-M33 PolarHBondContact O-N 3.22Å |
| 29 | F | 62.4 | Low | 63 | Low | 102 Ų | 102 | 94.9 Ų | 94.9 | 45% | 0.447 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -74.6 | -37.6 | 169 | -90.1 | -113.4 | 0 | 0 | 0 | 111.7 | W25 S31 G32 L35 | W25-F29 AromaticContact CD1-CD2 3.4Å; W25-F29 AromaticContact CD1-CE2 3.95Å; W25-F29 AromaticContact CD1-CG 3.67Å; W25-F29 AromaticContact CD2-CD2 3.19Å; W25-F29 HydrophobicContact CD2-CD2 3.19Å; W25-F29 AromaticContact CD2-CE2 3.08Å; W25-F29 HydrophobicContact CD2-CE2 3.08Å; W25-F29 HydrophobicContact CD2-CG 4.18Å; W25-F29 AromaticContact CD2-CZ 3.94Å; W25-F29 HydrophobicContact CD2-CZ 3.94Å; W25-F29 AromaticContact CE2-CD2 3.24Å; W25-F29 AromaticContact CE2-CE1 3.9Å; W25-F29 AromaticContact CE2-CE2 2.88Å; W25-F29 AromaticContact CE2-CG 3.92Å; W25-F29 AromaticContact CE2-CZ 3.23Å; W25-F29 AromaticContact CE3-CD2 3.72Å; W25-F29 HydrophobicContact CE3-CD2 3.72Å; W25-F29 AromaticContact CE3-CE2 3.26Å; W25-F29 HydrophobicContact CE3-CE2 3.26Å; W25-F29 HydrophobicContact CE3-CZ 4.22Å; W25-F29 AromaticContact CG-CD2 3.46Å; W25-F29 HydrophobicContact CG-CD2 3.46Å; W25-F29 VanDerWaalsContact CG-CD2 3.46Å; W25-F29 AromaticContact CG-CE2 3.89Å; W25-F29 HydrophobicContact CG-CE2 3.89Å; W25-F29 HydrophobicContact CG-CG 4.18Å; W25-F29 AromaticContact CH2-CE2 3.52Å; W25-F29 HydrophobicContact CH2-CE2 3.52Å; W25-F29 AromaticContact CH2-CZ 3.64Å; W25-F29 HydrophobicContact CH2-CZ 3.64Å; W25-F29 AromaticContact CZ2-CD2 3.96Å; W25-F29 HydrophobicContact CZ2-CD2 3.96Å; W25-F29 AromaticContact CZ2-CE1 3.9Å; W25-F29 HydrophobicContact CZ2-CE1 3.9Å; W25-F29 AromaticContact CZ2-CE2 3.11Å; W25-F29 HydrophobicContact CZ2-CE2 3.11Å; W25-F29 AromaticContact CZ2-CZ 3.03Å; W25-F29 HydrophobicContact CZ2-CZ 3.03Å; W25-F29 HydrophobicContact CZ3-CD2 4.47Å; W25-F29 AromaticContact CZ3-CE2 3.59Å; W25-F29 HydrophobicContact CZ3-CE2 3.59Å; W25-F29 HydrophobicContact CZ3-CZ 4.19Å; W25-F29 AromaticContact NE1-CD1 3.72Å; W25-F29 AromaticContact NE1-CD2 3.19Å; W25-F29 AromaticContact NE1-CE1 3.79Å; W25-F29 AromaticContact NE1-CE2 3.33Å; W25-F29 VanDerWaalsContact NE1-CE2 3.33Å; W25-F29 AromaticContact NE1-CG 3.42Å; W25-F29 AromaticContact NE1-CZ 3.6Å; W25-F29 VanDerWaalsContact O-CB 3.23Å; W25-F29 WeakPolarHBondContact O-CB 3.44Å; W25-F29 PolarHBondContact O-N 2.06Å; F29-S31 PolarHBondContact O-N 3.5Å; F29-G32 PolarHBondContact O-N 2.91Å; F29-L35 HydrophobicContact CE2-CD1 4.31Å; F29-L35 HydrophobicContact CE2-CD2 3.51Å; F29-L35 HydrophobicContact CE2-CG 3.83Å; F29-L35 HydrophobicContact CZ-CD1 3.89Å; F29-L35 HydrophobicContact CZ-CD2 3.64Å; F29-L35 HydrophobicContact CZ-CG 3.92Å |
| 30 | G | 67.4 | Low | 62.4 | Low | 69 Ų | 69 | 93.8 Ų | 93.8 | 71% | 0.711 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.8 | -23.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | P26 | P26-G30 WeakPolarHBondContact O-CA 3.1Å; P26-G30 PolarHBondContact O-N 3.41Å |
| 31 | S | 66.8 | Low | 62.2 | Low | 94 Ų | 94 | 92.4 Ų | 92.4 | 66% | 0.657 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.1 | 5.2 | -179 | -48.4 | 0 | 0 | 0 | 0 | 114.5 | L27 A28 F29 M33 | L27-S31 VanDerWaalsContact O-CB 3.24Å; L27-S31 WeakPolarHBondContact O-CB 3.45Å; L27-S31 PolarHBondContact O-N 2.87Å; L27-S31 PolarHBondContact O-OG 3.07Å; A28-S31 CarbonylContact O-C 3.43Å; A28-S31 PolarHBondContact O-N 3.3Å; F29-S31 PolarHBondContact O-N 3.5Å; S31-M33 PolarHBondContact O-N 2.66Å |
| 32 | G | 63.5 | Low | 62.1 | Low | 69 Ų | 69 | 91.3 Ų | 91.3 | 71% | 0.711 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.3 | 11.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | A28 F29 | A28-G32 PolarHBondContact O-N 3.15Å; F29-G32 PolarHBondContact O-N 2.91Å |
| 33 | M | 63.3 | Low | 61.7 | Low | 169 Ų | 169 | 94 Ų | 94 | 83% | 0.833 | 53% | 0.528 | S | S | * | . | trans | -143.1 | 100 | -178.9 | -68.3 | 177.5 | 81.7 | 0 | 0 | 110.5 | A28 S31 | A28-M33 WeakPolarHBondContact CB-O 3.14Å; A28-M33 PolarHBondContact O-N 3.22Å; S31-M33 PolarHBondContact O-N 2.66Å | ||
| 34 | G | 59.7 | Low | 61.3 | Low | 36 Ų | 36 | 90.1 Ų | 90.1 | 37% | 0.371 | 52% | 0.519 | S | S | . | . | trans | -161.3 | -5.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 35 | L | 57.8 | Low | 61.2 | Low | 103 Ų | 103 | 89.5 Ų | 89.5 | 54% | 0.539 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -96.6 | -28.6 | -167.1 | -70.4 | 177.6 | 0 | 0 | 0 | 115.5 | W25 F29 | W25-L35 HydrophobicContact CE3-CD2 3.88Å; W25-L35 HydrophobicContact CH2-CD2 3.05Å; W25-L35 HydrophobicContact CH2-CG 4.45Å; W25-L35 HydrophobicContact CZ2-CD2 3.92Å; W25-L35 HydrophobicContact CZ3-CD2 3.02Å; W25-L35 HydrophobicContact CZ3-CG 4.37Å; F29-L35 HydrophobicContact CE2-CD1 4.31Å; F29-L35 HydrophobicContact CE2-CD2 3.51Å; F29-L35 HydrophobicContact CE2-CG 3.83Å; F29-L35 HydrophobicContact CZ-CD1 3.89Å; F29-L35 HydrophobicContact CZ-CD2 3.64Å; F29-L35 HydrophobicContact CZ-CG 3.92Å |
| 36 | G | 59.1 | Low | 60.7 | Low | 48 Ų | 48 | 87.3 Ų | 87.3 | 50% | 0.495 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -77.6 | -37.9 | -163.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | S40 | G36-S40 PolarHBondContact O-N 2.66Å; G36-S40 PolarHBondContact O-OG 3.39Å |
| 37 | M | 57.8 | Low | 60.2 | Low | 168 Ų | 168 | 88.1 Ų | 88.1 | 83% | 0.828 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -74.8 | -33.9 | -165 | -79.8 | -174.2 | -103.9 | 0 | 0 | 114.7 | N41 | M37-N41 PolarHBondContact O-N 3.16Å |
| 38 | A | 58.3 | Low | 59.4 | Low | 25 Ų | 25 | 86 Ų | 86 | 21% | 0.207 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -77.1 | -32.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A17 I21 C42 | A17-A38 HydrophobicContact CB-CB 4.32Å; I21-A38 HydrophobicContact CD1-CB 3.29Å; I21-A38 HydrophobicContact CG1-CB 3.53Å; A38-C42 PolarHBondContact O-N 3.37Å |
| 39 | Y | 59.3 | Low | 59 | Low | 139 Ų | 139 | 88.2 Ų | 88.2 | 55% | 0.545 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.2 | -43.3 | 173.5 | -173.4 | -99.6 | 0 | 0 | 0 | 111.3 | N41 C42 Q43 | Y39-N41 VanDerWaalsContact C-N 3.33Å; Y39-N41 PolarHBondContact O-N 3.27Å; Y39-C42 PolarHBondContact O-N 2.58Å; Y39-Q43 WeakPolarHBondContact O-CB 3.4Å; Y39-Q43 PolarHBondContact O-N 3.2Å |
| 40 | S | 58.7 | Low | 58.4 | Low | 63 Ų | 63 | 92.8 Ų | 92.8 | 44% | 0.441 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.2 | -33.8 | 178.8 | -55.6 | 0 | 0 | 0 | 0 | 113.6 | G36 Q43 H44 | G36-S40 PolarHBondContact O-N 2.66Å; G36-S40 PolarHBondContact O-OG 3.39Å; S40-Q43 PolarHBondContact O-N 2.88Å; S40-H44 VanDerWaalsContact O-CB 3.26Å; S40-H44 WeakPolarHBondContact O-CB 2.92Å; S40-H44 PolarHBondContact O-N 3.31Å |
| 41 | N | 60.4 | Low | 57.6 | Low | 119 Ų | 119 | 96.9 Ų | 96.9 | 64% | 0.636 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -70 | -40.1 | 176.9 | -84.7 | -22.7 | 0 | 0 | 0 | 112.5 | M37 Y39 H44 D45 | M37-N41 PolarHBondContact O-N 3.16Å; Y39-N41 VanDerWaalsContact C-N 3.33Å; Y39-N41 PolarHBondContact O-N 3.27Å; N41-H44 PolarHBondContact O-N 3.3Å; N41-D45 PolarHBondContact O-N 3.36Å |
| 42 | C | 62.7 | Low | 56.8 | Low | 9 Ų | 9 | 98.5 Ų | 98.5 | 6% | 0.061 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -68.3 | -42.6 | 171.9 | -72.6 | 0 | 0 | 0 | 0 | 110.6 | W10 C13 A38 Y39 H44 D45 F46 | W10-C42 HydrophobicContact CZ3-CB 4.33Å; C13-C42 HydrophobicContact CB-CB 4.2Å; C13-C42 WeakPolarHBondContact CB-SG 3.08Å; C13-C42 WeakPolarHBondContact SG-CB 3.26Å; C13-C42 CovalentContact SG-SG 2.06Å; C13-C42 PolarHBondContact SG-SG 3Å; A38-C42 PolarHBondContact O-N 3.37Å; Y39-C42 PolarHBondContact O-N 2.58Å; C42-H44 VanDerWaalsContact C-N 3.27Å; C42-H44 PolarHBondContact O-N 3.1Å; C42-D45 PolarHBondContact O-N 3.09Å; C42-F46 HydrophobicContact CB-CE2 4.47Å; C42-F46 WeakPolarHBondContact O-CD2 3.32Å; C42-F46 PolarHBondContact O-N 2.73Å; C42-F46 VanDerWaalsContact O-N 3.15Å |
| 43 | Q | 56.5 | Low | 56.2 | Low | 99 Ų | 99 | 104.3 Ų | 104.3 | 46% | 0.463 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -59.6 | -35.5 | 176.5 | -172.5 | 177.3 | -5.4 | 0 | 0 | 112.7 | Y39 S40 F46 Q47 | Y39-Q43 WeakPolarHBondContact O-CB 3.4Å; Y39-Q43 PolarHBondContact O-N 3.2Å; S40-Q43 PolarHBondContact O-N 2.88Å; Q43-F46 CarbonylContact O-C 3.3Å; Q43-F46 PolarHBondContact O-N 2.73Å; Q43-Q47 PolarHBondContact O-N 3.23Å |
| 44 | H | 58 | Low | 55.5 | Low | 129 Ų | 129 | 97.6 Ų | 97.6 | 60% | 0.597 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -70.6 | -37.9 | 176.8 | -171.9 | 68.7 | 0 | 0 | 0 | 112.8 | S40 N41 C42 F46 Q47 A48 | S40-H44 VanDerWaalsContact O-CB 3.26Å; S40-H44 WeakPolarHBondContact O-CB 2.92Å; S40-H44 PolarHBondContact O-N 3.31Å; N41-H44 PolarHBondContact O-N 3.3Å; C42-H44 VanDerWaalsContact C-N 3.27Å; C42-H44 PolarHBondContact O-N 3.1Å; H44-F46 PolarHBondContact O-N 2.99Å; H44-Q47 WeakPolarHBondContact O-CA 3.39Å; H44-Q47 WeakPolarHBondContact O-CB 2.98Å; H44-Q47 PolarHBondContact O-N 3.02Å; H44-A48 PolarHBondContact O-N 3Å |
| 45 | D | 58.4 | Low | 54.6 | Low | 113 Ų | 113 | 103.5 Ų | 103.5 | 60% | 0.604 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.9 | -33.3 | 173.4 | -150.8 | -99 | 0 | 0 | 0 | 111.1 | N41 C42 Q47 | N41-D45 PolarHBondContact O-N 3.36Å; C42-D45 PolarHBondContact O-N 3.09Å; D45-Q47 VanDerWaalsContact C-N 3.35Å |
| 46 | F | 53.3 | Low | 53.9 | Low | 50 Ų | 50 | 108.8 Ų | 108.8 | 22% | 0.219 | 55% | 0.554 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -82.1 | -0.3 | 169 | -64 | -68.2 | 0 | 0 | 0 | 115.1 | L6 K9 W10 C42 Q43 H44 P49 | L6-F46 HydrophobicContact CD1-CD1 4.13Å; L6-F46 HydrophobicContact CD1-CE1 3.56Å; L6-F46 HydrophobicContact CD1-CZ 4.37Å; K9-F46 HydrophobicContact CB-CE1 4.49Å; K9-F46 HydrophobicContact CB-CZ 4.39Å; W10-F46 AromaticContact CD1-CZ 3.67Å; W10-F46 HydrophobicContact CD2-CD2 4.22Å; W10-F46 HydrophobicContact CD2-CE1 4.47Å; W10-F46 AromaticContact CD2-CE2 3.34Å; W10-F46 HydrophobicContact CD2-CE2 3.34Å; W10-F46 AromaticContact CD2-CZ 3.48Å; W10-F46 HydrophobicContact CD2-CZ 3.48Å; W10-F46 VanDerWaalsContact CD2-CZ 3.48Å; W10-F46 AromaticContact CE2-CD2 3.65Å; W10-F46 AromaticContact CE2-CE1 3.95Å; W10-F46 AromaticContact CE2-CE2 3.17Å; W10-F46 AromaticContact CE2-CZ 3.33Å; W10-F46 HydrophobicContact CE3-CD2 4.37Å; W10-F46 AromaticContact CE3-CE2 3.55Å; W10-F46 HydrophobicContact CE3-CE2 3.55Å; W10-F46 HydrophobicContact CE3-CZ 4.13Å; W10-F46 HydrophobicContact CG-CE2 4.07Å; W10-F46 AromaticContact CG-CZ 3.7Å; W10-F46 HydrophobicContact CG-CZ 3.7Å; W10-F46 AromaticContact CH2-CD2 3.43Å; W10-F46 HydrophobicContact CH2-CD2 3.43Å; W10-F46 VanDerWaalsContact CH2-CD2 3.43Å; W10-F46 AromaticContact CH2-CE2 3.48Å; W10-F46 HydrophobicContact CH2-CE2 3.48Å; W10-F46 VanDerWaalsContact CH2-CE2 3.48Å; W10-F46 HydrophobicContact CH2-CG 4.43Å; W10-F46 HydrophobicContact CH2-CZ 4.45Å; W10-F46 HydrophobicContact CZ2-CD1 4.41Å; W10-F46 AromaticContact CZ2-CD2 3.23Å; W10-F46 HydrophobicContact CZ2-CD2 3.23Å; W10-F46 HydrophobicContact CZ2-CE1 4.39Å; W10-F46 AromaticContact CZ2-CE2 3.26Å; W10-F46 HydrophobicContact CZ2-CE2 3.26Å; W10-F46 AromaticContact CZ2-CG 3.89Å; W10-F46 HydrophobicContact CZ2-CG 3.89Å; W10-F46 AromaticContact CZ2-CZ 3.87Å; W10-F46 HydrophobicContact CZ2-CZ 3.87Å; W10-F46 HydrophobicContact CZ3-CD2 4.01Å; W10-F46 AromaticContact CZ3-CE2 3.61Å; W10-F46 HydrophobicContact CZ3-CE2 3.61Å; W10-F46 AromaticContact NE1-CE1 3.69Å; W10-F46 AromaticContact NE1-CE2 3.78Å; W10-F46 AromaticContact NE1-CZ 3.41Å; C42-F46 HydrophobicContact CB-CE2 4.47Å; C42-F46 WeakPolarHBondContact O-CD2 3.32Å; C42-F46 PolarHBondContact O-N 2.73Å; C42-F46 VanDerWaalsContact O-N 3.15Å; Q43-F46 CarbonylContact O-C 3.3Å; Q43-F46 PolarHBondContact O-N 2.73Å; H44-F46 PolarHBondContact O-N 2.99Å; F46-P49 WeakPolarHBondContact O-CD 3.36Å; F46-P49 WeakPolarHBondContact O-CG 3.11Å |
| 47 | Q | 52.3 | Low | 52.9 | Low | 105 Ų | 105 | 111.3 Ų | 111.3 | 49% | 0.491 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.1 | -10.7 | 169.4 | -159.2 | 175.6 | -4.1 | 0 | 0 | 112.1 | Q43 H44 D45 P49 Y50 | Q43-Q47 PolarHBondContact O-N 3.23Å; H44-Q47 WeakPolarHBondContact O-CA 3.39Å; H44-Q47 WeakPolarHBondContact O-CB 2.98Å; H44-Q47 PolarHBondContact O-N 3.02Å; D45-Q47 VanDerWaalsContact C-N 3.35Å; Q47-P49 VanDerWaalsContact CA-CD 3.49Å; Q47-P49 WeakPolarHBondContact O-CD 3.35Å; Q47-Y50 HydrophobicContact CG-CE2 4.13Å; Q47-Y50 VanDerWaalsContact O-CD2 3.23Å; Q47-Y50 WeakPolarHBondContact O-CD2 3.37Å; Q47-Y50 WeakPolarHBondContact O-CE2 3.26Å |
| 48 | A | 50.3 | Low | 51.6 | Low | 80 Ų | 80 | 111 Ų | 111 | 66% | 0.661 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -79.5 | 8.8 | 164.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | H44 | H44-A48 PolarHBondContact O-N 3Š|
| 49 | P | 53.9 | Low | 50.6 | Low | 64 Ų | 64 | 117.2 Ų | 117.2 | 42% | 0.416 | 58% | 0.578 | S | S | . | * | trans | -101.4 | 31.4 | -179.9 | 42 | -35.5 | 0 | 0 | 0 | 112.6 | F46 Q47 L51 L52 | F46-P49 WeakPolarHBondContact O-CD 3.36Å; F46-P49 WeakPolarHBondContact O-CG 3.11Å; Q47-P49 VanDerWaalsContact CA-CD 3.49Å; Q47-P49 WeakPolarHBondContact O-CD 3.35Å; P49-L51 PolarHBondContact O-N 3.5Å; P49-L52 PolarHBondContact O-N 3.43Å | ||
| 50 | Y | 48.3 | Very low | 49.5 | Very low | 197 Ų | 197 | 118.7 Ų | 118.7 | 77% | 0.773 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | 2.1 | 162.5 | -56.6 | -71.9 | 0 | 0 | 0 | 112.8 | Q47 | Q47-Y50 HydrophobicContact CG-CE2 4.13Å; Q47-Y50 VanDerWaalsContact O-CD2 3.23Å; Q47-Y50 WeakPolarHBondContact O-CD2 3.37Å; Q47-Y50 WeakPolarHBondContact O-CE2 3.26Å |
| 51 | L | 51.6 | Low | 48.1 | Very low | 156 Ų | 156 | 124.3 Ų | 124.3 | 82% | 0.817 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.5 | -2.7 | 176.3 | -101.9 | 161.6 | 0 | 0 | 0 | 115.4 | P49 | P49-L51 PolarHBondContact O-N 3.5Š|
| 52 | L | 50.2 | Low | 46.5 | Very low | 128 Ų | 128 | 131.2 Ų | 131.2 | 67% | 0.67 | 64% | 0.638 | S | S | * | * | trans | -113 | 82.2 | 173.3 | -94 | 96.3 | 0 | 0 | 0 | 112.2 | M1 P49 G54 | M1-L52 HydrophobicContact CE-CD2 4.26Å; P49-L52 PolarHBondContact O-N 3.43Å; L52-G54 PolarHBondContact O-N 3.28Å | ||
| 53 | H | 50.7 | Low | 45.7 | Very low | 190 Ų | 190 | 137.3 Ų | 137.3 | 88% | 0.88 | 67% | 0.667 | S | S | * | * | trans | -28.6 | 115.2 | 148.5 | -153 | 114.5 | 0 | 0 | 0 | 112.1 | ||||
| 54 | G | 48.6 | Very low | 45.1 | Very low | 29 Ų | 29 | 139.3 Ų | 139.3 | 30% | 0.299 | 68% | 0.677 | S | S | . | * | trans | 140.6 | 85.6 | 152.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | M1 L52 | M1-G54 WeakPolarHBondContact CB-O 3.23Å; M1-G54 VanDerWaalsContact CG-O 3.32Å; M1-G54 WeakPolarHBondContact CG-O 3.48Å; M1-G54 PolarHBondContact N-O 2.98Å; L52-G54 PolarHBondContact O-N 3.28Å | ||
| 55 | K | 39.6 | Very low | 44.4 | Very low | 160 Ų | 160 | 139.9 Ų | 139.9 | 70% | 0.696 | 68% | 0.682 | S | S | * | * | trans | 71.5 | 108.7 | 137.1 | -55.2 | -76.7 | 178.8 | 168.7 | 0 | 117.8 | M1 | M1-K55 PolarHBondContact N-O 2.75Å; M1-K55 VanDerWaalsContact O-O 3.11Å | ||
| 56 | Y | 44 | Very low | 43.6 | Very low | 214 Ų | 214 | 141.5 Ų | 141.5 | 84% | 0.839 | 69% | 0.686 | S | S | * | * | trans | -44.1 | 151.8 | 154.8 | -14.2 | -89 | 0 | 0 | 0 | 114.8 | ||||
| 57 | V | 37.6 | Very low | 43 | Very low | 100 Ų | 100 | 147.2 Ų | 147.2 | 61% | 0.606 | 72% | 0.716 | S | S | * | * | -172.2 | -166.4 | 127.5 | 154.9 | 0 | 0 | 0 | 0 | 107.9 | E3 | E3-V57 VanDerWaalsContact CG-C 3.44Å; E3-V57 VanDerWaalsContact CG-O 3.22Å; E3-V57 WeakPolarHBondContact CG-O 3.3Å; E3-V57 WeakPolarHBondContact OE2-CB 3.47Å; E3-V57 WeakPolarHBondContact OE2-CG1 3.47Å | |||
| 58 | K | 31.9 | Very low | 42.4 | Very low | 161 Ų | 161 | 150 Ų | 150 | 70% | 0.7 | 73% | 0.731 | S | S | * | * | trans | -117 | 135.5 | -131.4 | -55.9 | -95.2 | -175.2 | 163.1 | 0 | 116.5 | E3 | E3-K58 VanDerWaalsContact OE1-CA 3.22Å; E3-K58 WeakPolarHBondContact OE1-CA 3.24Å; E3-K58 PolarHBondContact OE1-N 2.97Å; E3-K58 PolarHBondContact OE2-N 3.37Å | ||
| 59 | E | 36.4 | Very low | 41.8 | Very low | 156 Ų | 156 | 155 Ų | 155 | 73% | 0.729 | 74% | 0.736 | S | S | * | * | 49.3 | 115.7 | 126.7 | -165.2 | 94.9 | 79.6 | 0 | 0 | 120.9 | |||||
| 60 | Q | 35.6 | Very low | 40.9 | Very low | 170 Ų | 170 | 162 Ų | 162 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | trans | 56.3 | 136.6 | 141.7 | -54.3 | -84.5 | 16.6 | 0 | 0 | 122.1 | ||||
| 61 | E | 29.9 | Very low | 40.3 | Very low | 181 Ų | 181 | 159.1 Ų | 159.1 | 85% | 0.846 | 76% | 0.759 | S | S | * | * | 152.7 | 108.1 | 128.5 | -168.6 | -177.1 | 108.2 | 0 | 0 | 112.7 | |||||
| 62 | Q | 27.3 | Very low | 39.2 | Very low | 264 Ų | 264 | 159.4 Ų | 159.4 | 100% | 1.234 | 75% | 0.754 | S | S | * | * | -167.9 | 0 | 125.4 | -136 | 169 | 98.2 | 0 | 0 | 112.2 |
Retrieved 62 of 62 residues in 32.2 ms
(Link to these results)