| 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 | S | 42.2 | Very low | 61.8 | Low | 138 Ų | 138 | 100.2 Ų | 100.2 | 97% | 0.965 | 53% | 0.533 | S | S | * | . | 0 | 117.3 | 0 | -169.6 | 0 | 0 | 0 | 0 | 107.7 | V3 | S1-V3 PolarHBondContact O-N 3.27Š| |||
| 2 | L | 58.3 | Low | 62.2 | Low | 161 Ų | 161 | 99.4 Ų | 99.4 | 84% | 0.843 | 52% | 0.524 | S | S | * | . | trans | -80.2 | 50.8 | -177.9 | -81.4 | 151.8 | 0 | 0 | 0 | 111.4 | P4 M67 | L2-P4 WeakPolarHBondContact O-CD 3.37Å; L2-M67 WeakPolarHBondContact O-CE 3.4Å | ||
| 3 | V | 59.5 | Low | 62.9 | Low | 31 Ų | 31 | 98.7 Ų | 98.7 | 19% | 0.188 | 53% | 0.526 | C | S | . | . | trans | -92.2 | 114.6 | 170.1 | 177.7 | 0 | 0 | 0 | 0 | 106.1 | S1 Q5 R68 | S1-V3 PolarHBondContact O-N 3.27Å; V3-Q5 PolarHBondContact O-N 2.99Å; V3-R68 HydrophobicContact CG1-CB 4.38Å; V3-R68 HydrophobicContact CG1-CG 3.34Å | ||
| 4 | P | 62 | Low | 63.2 | Low | 45 Ų | 45 | 96.2 Ų | 96.2 | 29% | 0.292 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 131.4 | 176.9 | -21.9 | 31.4 | 0 | 0 | 0 | 109.4 | L2 M67 R68 | L2-P4 WeakPolarHBondContact O-CD 3.37Å; P4-M67 VanDerWaalsContact CD-CE 3.42Å; P4-M67 HydrophobicContact CG-CE 3.99Å; P4-M67 HydrophobicContact CG-SD 3.84Å; P4-R68 PolarHBondContact O-NH2 3.36Å |
| 5 | Q | 62.1 | Low | 63.6 | Low | 134 Ų | 134 | 90.8 Ų | 90.8 | 63% | 0.626 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -84.7 | 153.4 | 170.6 | -63.6 | -60.6 | -28.5 | 0 | 0 | 108.3 | V3 E7 | V3-Q5 PolarHBondContact O-N 2.99Å; Q5-E7 PolarHBondContact O-N 3.2Å |
| 6 | P | 61.1 | Low | 64 | Low | 29 Ų | 29 | 93.8 Ų | 93.8 | 19% | 0.188 | 49% | 0.492 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 134.8 | 174.6 | -6.9 | 22.5 | 0 | 0 | 0 | 108.6 | S8 E11 Q12 L15 R68 | P6-S8 VanDerWaalsContact C-N 3.33Å; P6-E11 WeakPolarHBondContact CA-OE2 3.49Å; P6-E11 HydrophobicContact CB-CB 4.36Å; P6-Q12 HydrophobicContact CB-CB 4.14Å; P6-Q12 HydrophobicContact CG-CB 4.3Å; P6-Q12 HydrophobicContact CG-CG 4.34Å; P6-L15 HydrophobicContact CB-CD1 3.81Å; P6-L15 HydrophobicContact CG-CD1 3.79Å; P6-R68 VanDerWaalsContact N-NH2 3.16Å |
| 7 | E | 66.7 | Low | 64.3 | Low | 168 Ų | 168 | 92.7 Ų | 92.7 | 79% | 0.785 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -84.6 | -11.6 | 179.4 | -62 | -174.2 | 168.7 | 0 | 0 | 111.9 | Q5 E11 | Q5-E7 PolarHBondContact O-N 3.2Å; E7-E11 PolarHBondContact N-OE2 3.1Å |
| 8 | S | 68.8 | Low | 64.4 | Low | 54 Ų | 54 | 88.3 Ų | 88.3 | 38% | 0.378 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -152.5 | 162.2 | 177.7 | 65.7 | 0 | 0 | 0 | 0 | 113.6 | P6 E10 E11 Q12 | P6-S8 VanDerWaalsContact C-N 3.33Å; S8-E10 VanDerWaalsContact C-N 3.29Å; S8-E10 PolarHBondContact O-N 3.24Å; S8-E11 WeakPolarHBondContact O-CB 3.34Å; S8-E11 PolarHBondContact O-N 2.86Å; S8-E11 WeakPolarHBondContact OG-CB 3.24Å; S8-E11 PolarHBondContact OG-N 3.14Å; S8-E11 VanDerWaalsContact OG-N 3.12Å; S8-Q12 PolarHBondContact O-N 2.95Å |
| 9 | E | 68.1 | Low | 64.3 | Low | 164 Ų | 164 | 86.1 Ų | 86.1 | 77% | 0.766 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -61.3 | -36.8 | 171.5 | -70.7 | -175.8 | 169.7 | 0 | 0 | 112 | E11 Q12 V13 | E9-E11 VanDerWaalsContact C-N 3.31Å; E9-E11 PolarHBondContact O-N 2.65Å; E9-Q12 WeakPolarHBondContact O-CB 3.46Å; E9-Q12 PolarHBondContact O-N 3.01Å; E9-Q12 VanDerWaalsContact O-N 3.16Å; E9-V13 VanDerWaalsContact O-CG2 3.31Å; E9-V13 WeakPolarHBondContact O-CG2 3.45Å; E9-V13 PolarHBondContact O-N 3.39Å |
| 10 | E | 65.9 | Low | 64.1 | Low | 159 Ų | 159 | 93.1 Ų | 93.1 | 74% | 0.743 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.9 | -43.1 | 175 | -64.8 | -178.6 | 179.3 | 0 | 0 | 111.2 | S8 Q12 V13 M14 | S8-E10 VanDerWaalsContact C-N 3.29Å; S8-E10 PolarHBondContact O-N 3.24Å; E10-Q12 VanDerWaalsContact C-N 3.32Å; E10-Q12 PolarHBondContact O-N 3.46Å; E10-V13 PolarHBondContact O-N 3.14Å; E10-M14 WeakPolarHBondContact O-CB 3.24Å; E10-M14 WeakPolarHBondContact O-CG 3.39Å; E10-M14 PolarHBondContact O-N 3.42Å |
| 11 | E | 65.5 | Low | 63.9 | Low | 19 Ų | 19 | 89.8 Ų | 89.8 | 9% | 0.089 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -66.4 | -38 | 175.6 | -162.3 | -160.1 | 151.6 | 0 | 0 | 111.5 | P6 E7 S8 E9 M14 L15 H60 A61 | P6-E11 WeakPolarHBondContact CA-OE2 3.49Å; P6-E11 HydrophobicContact CB-CB 4.36Å; E7-E11 PolarHBondContact N-OE2 3.1Å; S8-E11 WeakPolarHBondContact O-CB 3.34Å; S8-E11 PolarHBondContact O-N 2.86Å; S8-E11 WeakPolarHBondContact OG-CB 3.24Å; S8-E11 PolarHBondContact OG-N 3.14Å; S8-E11 VanDerWaalsContact OG-N 3.12Å; E9-E11 VanDerWaalsContact C-N 3.31Å; E9-E11 PolarHBondContact O-N 2.65Å; E11-M14 CarbonylContact O-C 3.25Å; E11-M14 WeakPolarHBondContact O-CB 3.48Å; E11-M14 PolarHBondContact O-N 3.31Å; E11-L15 HydrophobicContact CG-CD1 4.11Å; E11-L15 WeakPolarHBondContact O-CB 3.25Å; E11-L15 WeakPolarHBondContact O-CD1 3.41Å; E11-L15 WeakPolarHBondContact O-CG 3.4Å; E11-L15 PolarHBondContact O-N 3.23Å; E11-H60 IonicContact OE1-CD2 2.86Å; E11-H60 PolarHBondContact OE1-CD2 3.22Å; E11-H60 IonicContact OE1-CG 2.86Å; E11-H60 IonicContact OE1-NE2 2.67Å; E11-H60 PolarHBondContact OE1-NE2 3.2Å; E11-H60 IonicContact OE2-CD2 3.31Å; E11-H60 PolarHBondContact OE2-CD2 3Å; E11-H60 VanDerWaalsContact OE2-CD2 3.3Å; E11-H60 IonicContact OE2-NE2 3.38Å; E11-H60 PolarHBondContact OE2-NE2 3.39Å; E11-A61 HydrophobicContact CG-CB 4.5Å |
| 12 | Q | 66.4 | Low | 64.9 | Low | 91 Ų | 91 | 85.7 Ų | 85.7 | 43% | 0.425 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 176.1 | -166.6 | 145.9 | 7.9 | 0 | 0 | 111.7 | P6 S8 E9 E10 M14 L15 E16 | P6-Q12 HydrophobicContact CB-CB 4.14Å; P6-Q12 HydrophobicContact CG-CB 4.3Å; P6-Q12 HydrophobicContact CG-CG 4.34Å; S8-Q12 PolarHBondContact O-N 2.95Å; E9-Q12 WeakPolarHBondContact O-CB 3.46Å; E9-Q12 PolarHBondContact O-N 3.01Å; E9-Q12 VanDerWaalsContact O-N 3.16Å; E10-Q12 VanDerWaalsContact C-N 3.32Å; E10-Q12 PolarHBondContact O-N 3.46Å; Q12-M14 VanDerWaalsContact C-N 3.32Å; Q12-M14 PolarHBondContact O-N 2.99Å; Q12-L15 WeakPolarHBondContact O-CB 3.25Å; Q12-L15 PolarHBondContact O-N 3.14Å; Q12-E16 WeakPolarHBondContact O-CB 3.4Å; Q12-E16 VanDerWaalsContact O-CG 3.29Å; Q12-E16 WeakPolarHBondContact O-CG 3.31Å; Q12-E16 PolarHBondContact O-N 3.33Å |
| 13 | V | 70.5 | Confident | 65.4 | Low | 90 Ų | 90 | 84.1 Ų | 84.1 | 55% | 0.545 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.5 | -38.5 | 171.7 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | E9 E10 E16 S17 | E9-V13 VanDerWaalsContact O-CG2 3.31Å; E9-V13 WeakPolarHBondContact O-CG2 3.45Å; E9-V13 PolarHBondContact O-N 3.39Å; E10-V13 PolarHBondContact O-N 3.14Å; V13-E16 PolarHBondContact O-N 3.2Å; V13-S17 VanDerWaalsContact O-CB 3.27Å; V13-S17 WeakPolarHBondContact O-CB 3.46Å; V13-S17 PolarHBondContact O-N 2.86Å; V13-S17 PolarHBondContact O-OG 3.44Å |
| 14 | M | 68.3 | Low | 66.1 | Low | 64 Ų | 64 | 89.4 Ų | 89.4 | 32% | 0.315 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67 | -36.7 | 174.8 | -71.1 | -66.5 | -75.8 | 0 | 0 | 112.3 | E10 E11 Q12 S17 L18 R58 A61 | E10-M14 WeakPolarHBondContact O-CB 3.24Å; E10-M14 WeakPolarHBondContact O-CG 3.39Å; E10-M14 PolarHBondContact O-N 3.42Å; E11-M14 CarbonylContact O-C 3.25Å; E11-M14 WeakPolarHBondContact O-CB 3.48Å; E11-M14 PolarHBondContact O-N 3.31Å; Q12-M14 VanDerWaalsContact C-N 3.32Å; Q12-M14 PolarHBondContact O-N 2.99Å; M14-S17 WeakPolarHBondContact CA-OG 3.36Å; M14-S17 PolarHBondContact O-OG 3.27Å; M14-S17 VanDerWaalsContact O-OG 3.07Å; M14-L18 WeakPolarHBondContact O-CB 3.3Å; M14-L18 WeakPolarHBondContact O-CD1 3.45Å; M14-L18 WeakPolarHBondContact O-CG 3.31Å; M14-L18 PolarHBondContact O-N 2.96Å; M14-R58 HydrophobicContact CE-CG 3.6Å; M14-A61 HydrophobicContact CB-CB 4.29Å |
| 15 | L | 69.1 | Low | 67 | Low | 15 Ų | 15 | 88.1 Ų | 88.1 | 8% | 0.079 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -68.8 | -37.7 | 176.7 | -76.6 | 159.2 | 0 | 0 | 0 | 112.8 | P6 E11 Q12 A61 C64 K65 | P6-L15 HydrophobicContact CB-CD1 3.81Å; P6-L15 HydrophobicContact CG-CD1 3.79Å; E11-L15 HydrophobicContact CG-CD1 4.11Å; E11-L15 WeakPolarHBondContact O-CB 3.25Å; E11-L15 WeakPolarHBondContact O-CD1 3.41Å; E11-L15 WeakPolarHBondContact O-CG 3.4Å; E11-L15 PolarHBondContact O-N 3.23Å; Q12-L15 WeakPolarHBondContact O-CB 3.25Å; Q12-L15 PolarHBondContact O-N 3.14Å; L15-A61 HydrophobicContact CD2-CB 4.18Å; L15-A61 WeakPolarHBondContact CD2-O 3.15Å; L15-A61 HydrophobicContact CG-CB 4.25Å; L15-C64 HydrophobicContact CD2-CB 4.04Å; L15-K65 HydrophobicContact CD2-CB 3.96Å; L15-K65 PolarHBondContact O-NZ 3.11Å |
| 16 | E | 69.7 | Low | 68.3 | Low | 139 Ų | 139 | 82.2 Ų | 82.2 | 65% | 0.65 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -74.3 | -35.1 | 176.1 | -71.8 | 173.9 | -171.7 | 0 | 0 | 112.2 | Q12 V13 | Q12-E16 WeakPolarHBondContact O-CB 3.4Å; Q12-E16 VanDerWaalsContact O-CG 3.29Å; Q12-E16 WeakPolarHBondContact O-CG 3.31Å; Q12-E16 PolarHBondContact O-N 3.33Å; V13-E16 PolarHBondContact O-N 3.2Å |
| 17 | S | 69.3 | Low | 69.8 | Low | 75 Ų | 75 | 81 Ų | 81 | 52% | 0.524 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -79.2 | -27.4 | 176.4 | 63.5 | 0 | 0 | 0 | 0 | 113.7 | V13 M14 G19 | V13-S17 VanDerWaalsContact O-CB 3.27Å; V13-S17 WeakPolarHBondContact O-CB 3.46Å; V13-S17 PolarHBondContact O-N 2.86Å; V13-S17 PolarHBondContact O-OG 3.44Å; M14-S17 WeakPolarHBondContact CA-OG 3.36Å; M14-S17 PolarHBondContact O-OG 3.27Å; M14-S17 VanDerWaalsContact O-OG 3.07Å; S17-G19 PolarHBondContact O-N 2.95Å |
| 18 | L | 65.5 | Low | 70.9 | Confident | 14 Ų | 14 | 73.3 Ų | 73.3 | 7% | 0.073 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -58.7 | 112.3 | 160.1 | -73.6 | 161.3 | 0 | 0 | 0 | 105.8 | M14 Y25 A61 I62 K65 | M14-L18 WeakPolarHBondContact O-CB 3.3Å; M14-L18 WeakPolarHBondContact O-CD1 3.45Å; M14-L18 WeakPolarHBondContact O-CG 3.31Å; M14-L18 PolarHBondContact O-N 2.96Å; L18-Y25 HydrophobicContact CD2-CE1 4.27Å; L18-A61 HydrophobicContact CD1-CB 3.66Å; L18-I62 HydrophobicContact CD1-CG1 4.32Å; L18-I62 HydrophobicContact CD2-CG1 4.14Å; L18-K65 VanDerWaalsContact C-NZ 3.34Å; L18-K65 HydrophobicContact CB-CD 3.67Å; L18-K65 HydrophobicContact CD1-CD 4.13Å; L18-K65 HydrophobicContact CG-CD 4.42Å; L18-K65 PolarHBondContact O-NZ 3.32Å |
| 19 | G | 63 | Low | 72 | Confident | 46 Ų | 46 | 70.8 Ų | 70.8 | 47% | 0.474 | 36% | 0.355 | S | S | . | . | trans | -67.7 | -143.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | S17 K65 | S17-G19 PolarHBondContact O-N 2.95Å; G19-K65 WeakPolarHBondContact O-CE 3.48Å; G19-K65 PolarHBondContact O-NZ 2.9Å | ||
| 20 | R | 60.4 | Low | 73.3 | Confident | 225 Ų | 225 | 63 Ų | 63 | 85% | 0.849 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -57.1 | 151.2 | 161.9 | -85.3 | -175.6 | 174.7 | -172.9 | -0.8 | 108.7 | T22 Y25 | R20-T22 VanDerWaalsContact C-N 3.3Å; R20-T22 WeakPolarHBondContact O-CG2 3.44Å; R20-T22 PolarHBondContact O-N 3Å; R20-Y25 PolarHBondContact O-OH 3.42Å |
| 21 | P | 59.7 | Low | 74.7 | Confident | 24 Ų | 24 | 55.4 Ų | 55.4 | 16% | 0.156 | 28% | 0.283 | C | S | . | . | trans | -55 | 101 | 172.4 | 28.1 | -36 | 0 | 0 | 0 | 107.3 | Y25 L66 Y71 | P21-Y25 WeakPolarHBondContact CA-OH 3.48Å; P21-Y25 HydrophobicContact CB-CE2 4.12Å; P21-L66 HydrophobicContact CB-CD2 4.07Å; P21-Y71 HydrophobicContact CB-CE2 4.4Å; P21-Y71 HydrophobicContact CG-CD2 4.5Å; P21-Y71 HydrophobicContact CG-CE2 3.8Å | ||
| 22 | T | 63.3 | Low | 76.1 | Confident | 52 Ų | 52 | 54.6 Ų | 54.6 | 32% | 0.319 | 28% | 0.28 | S | S | . | . | trans | -74 | 147.6 | -177.5 | 45.7 | 0 | 0 | 0 | 0 | 106.9 | R20 E24 Y25 L26 | R20-T22 VanDerWaalsContact C-N 3.3Å; R20-T22 WeakPolarHBondContact O-CG2 3.44Å; R20-T22 PolarHBondContact O-N 3Å; T22-E24 PolarHBondContact O-N 3.46Å; T22-E24 PolarHBondContact OG1-OE2 2.81Å; T22-E24 VanDerWaalsContact OG1-OE2 3.06Å; T22-Y25 PolarHBondContact N-OH 3.02Å; T22-Y25 PolarHBondContact O-N 2.82Å; T22-Y25 WeakPolarHBondContact OG1-CE1 3.34Å; T22-L26 PolarHBondContact O-N 2.95Å | ||
| 23 | Q | 67.6 | Low | 77.5 | Confident | 128 Ų | 128 | 50.3 Ų | 50.3 | 60% | 0.598 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -52.6 | -21.6 | 176.5 | -71.9 | -164 | -82.4 | 0 | 0 | 112.5 | Y25 M27 P28 | Q23-Y25 VanDerWaalsContact C-N 3.32Å; Q23-Y25 PolarHBondContact O-N 3.5Å; Q23-M27 HydrophobicContact CB-CG 4.29Å; Q23-M27 HydrophobicContact CG-CG 4.47Å; Q23-M27 PolarHBondContact O-N 3.42Å; Q23-P28 WeakPolarHBondContact O-CD 3.25Å |
| 24 | E | 74.4 | Confident | 78.7 | Confident | 143 Ų | 143 | 46 Ų | 46 | 67% | 0.668 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -55 | -34.6 | 179.4 | -61.8 | 173.8 | 162.1 | 0 | 0 | 115 | T22 P28 | T22-E24 PolarHBondContact O-N 3.46Å; T22-E24 PolarHBondContact OG1-OE2 2.81Å; T22-E24 VanDerWaalsContact OG1-OE2 3.06Å; E24-P28 WeakPolarHBondContact O-CG 3.47Å |
| 25 | Y | 82.2 | Confident | 80 | Confident | 18 Ų | 18 | 43.9 Ų | 43.9 | 7% | 0.071 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -118.4 | -28.9 | 175.5 | 44.1 | -94.4 | 0 | 0 | 0 | 112.8 | L18 R20 P21 T22 Q23 I29 I62 L66 | L18-Y25 HydrophobicContact CD2-CE1 4.27Å; R20-Y25 PolarHBondContact O-OH 3.42Å; P21-Y25 WeakPolarHBondContact CA-OH 3.48Å; P21-Y25 HydrophobicContact CB-CE2 4.12Å; T22-Y25 PolarHBondContact N-OH 3.02Å; T22-Y25 PolarHBondContact O-N 2.82Å; T22-Y25 WeakPolarHBondContact OG1-CE1 3.34Å; Q23-Y25 VanDerWaalsContact C-N 3.32Å; Q23-Y25 PolarHBondContact O-N 3.5Å; Y25-I29 VanDerWaalsContact O-CB 3.3Å; Y25-I29 WeakPolarHBondContact O-CB 3.36Å; Y25-I29 VanDerWaalsContact O-CD1 3.23Å; Y25-I29 WeakPolarHBondContact O-CD1 3.37Å; Y25-I29 WeakPolarHBondContact O-CG1 3.2Å; Y25-I29 PolarHBondContact O-N 3.23Å; Y25-I29 VanDerWaalsContact O-N 3.13Å; Y25-I62 HydrophobicContact CD2-CG2 3.98Å; Y25-I62 HydrophobicContact CG-CG2 4.35Å; Y25-L66 HydrophobicContact CD2-CD2 4.47Å; Y25-L66 HydrophobicContact CE2-CD2 4.44Å |
| 26 | L | 89.4 | Confident | 81.2 | Confident | 10 Ų | 10 | 46.5 Ų | 46.5 | 5% | 0.052 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.6 | -50.7 | 179.9 | -179.2 | 63.5 | 0 | 0 | 0 | 112.2 | T22 I29 L30 L66 Y71 | T22-L26 PolarHBondContact O-N 2.95Å; L26-I29 PolarHBondContact O-N 3.22Å; L26-L30 HydrophobicContact CD1-CD1 3.63Å; L26-L30 HydrophobicContact CD1-CG 3.89Å; L26-L30 HydrophobicContact CG-CD1 3.97Å; L26-L30 HydrophobicContact CG-CG 4.44Å; L26-L30 WeakPolarHBondContact O-CB 3.45Å; L26-L30 WeakPolarHBondContact O-CG 3.44Å; L26-L30 PolarHBondContact O-N 2.96Å; L26-L66 HydrophobicContact CD1-CD2 3.83Å; L26-Y71 HydrophobicContact CD1-CD1 3.64Å; L26-Y71 HydrophobicContact CD1-CD2 4.2Å; L26-Y71 HydrophobicContact CD1-CE1 4.16Å; L26-Y71 HydrophobicContact CD1-CG 3.64Å; L26-Y71 HydrophobicContact CD2-CD1 4.08Å; L26-Y71 HydrophobicContact CD2-CE1 3.72Å; L26-Y71 HydrophobicContact CD2-CE2 4.36Å; L26-Y71 HydrophobicContact CG-CD1 4.48Å |
| 27 | M | 91.5 | Very high | 82.4 | Confident | 4 Ų | 4 | 41.5 Ų | 41.5 | 2% | 0.02 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.6 | -45.5 | -176.2 | -68.4 | -62.2 | -59.3 | 0 | 0 | 112.6 | Q23 I29 G31 I97 K101 Y105 | Q23-M27 HydrophobicContact CB-CG 4.29Å; Q23-M27 HydrophobicContact CG-CG 4.47Å; Q23-M27 PolarHBondContact O-N 3.42Å; M27-I29 VanDerWaalsContact C-N 3.35Å; M27-I29 PolarHBondContact O-N 3.02Å; M27-G31 PolarHBondContact O-N 3.49Å; M27-I97 HydrophobicContact SD-CD1 4.24Å; M27-I97 HydrophobicContact SD-CG2 4.42Å; M27-K101 HydrophobicContact CE-CG 4.09Å; M27-K101 WeakPolarHBondContact CE-O 3.01Å; M27-Y105 HydrophobicContact CB-CD1 3.8Å; M27-Y105 HydrophobicContact CB-CD2 3.84Å; M27-Y105 HydrophobicContact CB-CE1 3.8Å; M27-Y105 HydrophobicContact CB-CE2 3.83Å; M27-Y105 HydrophobicContact CB-CG 3.83Å; M27-Y105 HydrophobicContact CE-CD2 4.26Å; M27-Y105 HydrophobicContact CE-CG 3.94Å; M27-Y105 HydrophobicContact CG-CD2 4.25Å; M27-Y105 HydrophobicContact CG-CE2 4.41Å |
| 28 | P | 90.5 | Very high | 83.7 | Confident | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.032 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.3 | -41.9 | 174.1 | -25.5 | 33.6 | 0 | 0 | 0 | 113.4 | Q23 E24 L32 L49 Y105 | Q23-P28 WeakPolarHBondContact O-CD 3.25Å; E24-P28 WeakPolarHBondContact O-CG 3.47Å; P28-L32 WeakPolarHBondContact O-CB 3.2Å; P28-L32 PolarHBondContact O-N 3.23Å; P28-L49 HydrophobicContact CB-CD2 3.92Å; P28-Y105 HydrophobicContact CB-CE1 4.47Å; P28-Y105 HydrophobicContact CG-CE1 3.8Å |
| 29 | I | 92.6 | Very high | 85.1 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.9 | -51.7 | -179.2 | -68.1 | 166.6 | 0 | 0 | 0 | 110.6 | Y25 L26 M27 L32 I33 W46 L49 I62 L66 L72 | Y25-I29 VanDerWaalsContact O-CB 3.3Å; Y25-I29 WeakPolarHBondContact O-CB 3.36Å; Y25-I29 VanDerWaalsContact O-CD1 3.23Å; Y25-I29 WeakPolarHBondContact O-CD1 3.37Å; Y25-I29 WeakPolarHBondContact O-CG1 3.2Å; Y25-I29 PolarHBondContact O-N 3.23Å; Y25-I29 VanDerWaalsContact O-N 3.13Å; L26-I29 PolarHBondContact O-N 3.22Å; M27-I29 VanDerWaalsContact C-N 3.35Å; M27-I29 PolarHBondContact O-N 3.02Å; I29-L32 PolarHBondContact O-N 3.34Å; I29-I33 HydrophobicContact CG2-CD1 3.85Å; I29-I33 VanDerWaalsContact O-CG1 3.29Å; I29-I33 WeakPolarHBondContact O-CG1 3.4Å; I29-I33 PolarHBondContact O-N 3.42Å; I29-W46 HydrophobicContact CD1-CH2 4.27Å; I29-L49 HydrophobicContact CD1-CD1 4.31Å; I29-L49 HydrophobicContact CG1-CD1 3.59Å; I29-L49 HydrophobicContact CG1-CD2 4.1Å; I29-I62 HydrophobicContact CD1-CG2 3.73Å; I29-L66 HydrophobicContact CD1-CD1 3.56Å; I29-L72 HydrophobicContact CG2-CD1 4.05Å; I29-L72 HydrophobicContact CG2-CD2 4.04Å |
| 30 | L | 95.3 | Very high | 86.6 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.2 | -42.7 | -179.6 | -68.9 | -175.8 | 0 | 0 | 0 | 111.8 | L26 L32 I33 F34 L72 W89 A93 I97 | L26-L30 HydrophobicContact CD1-CD1 3.63Å; L26-L30 HydrophobicContact CD1-CG 3.89Å; L26-L30 HydrophobicContact CG-CD1 3.97Å; L26-L30 HydrophobicContact CG-CG 4.44Å; L26-L30 WeakPolarHBondContact O-CB 3.45Å; L26-L30 WeakPolarHBondContact O-CG 3.44Å; L26-L30 PolarHBondContact O-N 2.96Å; L30-L32 VanDerWaalsContact C-N 3.35Å; L30-L32 PolarHBondContact O-N 3.09Å; L30-I33 PolarHBondContact O-N 3.37Å; L30-F34 WeakPolarHBondContact O-CB 3.38Å; L30-F34 PolarHBondContact O-N 2.97Å; L30-L72 HydrophobicContact CD2-CD2 4Å; L30-W89 HydrophobicContact CB-CZ2 3.84Å; L30-W89 HydrophobicContact CD2-CD2 4.14Å; L30-W89 HydrophobicContact CD2-CG 3.92Å; L30-W89 PolarHBondContact O-NE1 3.01Å; L30-A93 HydrophobicContact CD1-CB 3.85Å; L30-A93 HydrophobicContact CD2-CB 3.87Å; L30-I97 HydrophobicContact CD1-CB 4.43Å; L30-I97 HydrophobicContact CD1-CG1 4.01Å |
| 31 | G | 94.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.4 | -41.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | M27 F34 L35 | M27-G31 PolarHBondContact O-N 3.49Å; G31-F34 PolarHBondContact O-N 2.71Å; G31-L35 WeakPolarHBondContact O-CG 3.35Å; G31-L35 PolarHBondContact O-N 2.98Å |
| 32 | L | 93.9 | Very high | 89.6 | Confident | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.2 | -43.6 | 176.7 | -174.1 | 66 | 0 | 0 | 0 | 112.5 | P28 I29 L30 F34 L35 M36 T45 L48 L49 | P28-L32 WeakPolarHBondContact O-CB 3.2Å; P28-L32 PolarHBondContact O-N 3.23Å; I29-L32 PolarHBondContact O-N 3.34Å; L30-L32 VanDerWaalsContact C-N 3.35Å; L30-L32 PolarHBondContact O-N 3.09Å; L32-F34 PolarHBondContact O-N 2.92Å; L32-L35 PolarHBondContact O-N 3.04Å; L32-M36 HydrophobicContact CD1-CE 4.33Å; L32-M36 HydrophobicContact CD1-CG 4.49Å; L32-M36 WeakPolarHBondContact O-CB 3.47Å; L32-M36 WeakPolarHBondContact O-CG 3.47Å; L32-M36 PolarHBondContact O-N 2.74Å; L32-T45 HydrophobicContact CD2-CG2 3.86Å; L32-L48 HydrophobicContact CD1-CB 4.23Å; L32-L48 HydrophobicContact CD1-CD1 3.85Å; L32-L48 HydrophobicContact CD2-CB 3.61Å; L32-L48 HydrophobicContact CD2-CD1 4.14Å; L32-L48 HydrophobicContact CG-CD1 4.39Å; L32-L49 HydrophobicContact CD2-CD2 4.41Å; L32-L49 HydrophobicContact CD2-CG 4.18Å |
| 33 | I | 96.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58 | -42.3 | 174.5 | -65.9 | 161.1 | 0 | 0 | 0 | 110 | I29 L30 M36 N38 V40 L72 L87 | I29-I33 HydrophobicContact CG2-CD1 3.85Å; I29-I33 VanDerWaalsContact O-CG1 3.29Å; I29-I33 WeakPolarHBondContact O-CG1 3.4Å; I29-I33 PolarHBondContact O-N 3.42Å; L30-I33 PolarHBondContact O-N 3.37Å; I33-M36 PolarHBondContact O-N 3.4Å; I33-N38 WeakPolarHBondContact CG2-O 3.45Å; I33-N38 WeakPolarHBondContact O-CA 3.1Å; I33-N38 PolarHBondContact O-N 3.19Å; I33-V40 HydrophobicContact CB-CG1 4.12Å; I33-V40 HydrophobicContact CG1-CG1 3.54Å; I33-V40 HydrophobicContact CG2-CG1 4.4Å; I33-L72 HydrophobicContact CD1-CD2 3.34Å; I33-L87 HydrophobicContact CD1-CB 4.09Å; I33-L87 HydrophobicContact CG1-CB 4.4Å |
| 34 | F | 96.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.1 | -48.1 | 178.8 | -177.1 | -129.6 | 0 | 0 | 0 | 112.2 | L30 G31 L32 M36 G37 N38 W89 K99 L103 Q120 E123 A124 | L30-F34 WeakPolarHBondContact O-CB 3.38Å; L30-F34 PolarHBondContact O-N 2.97Å; G31-F34 PolarHBondContact O-N 2.71Å; L32-F34 PolarHBondContact O-N 2.92Å; F34-M36 PolarHBondContact O-N 3.02Å; F34-M36 VanDerWaalsContact O-N 3.14Å; F34-G37 PolarHBondContact O-N 3.1Å; F34-N38 WeakPolarHBondContact CD2-OD1 3.17Å; F34-W89 HydrophobicContact CB-CZ2 4.25Å; F34-K99 HydrophobicContact CD2-CD 4.24Å; F34-K99 HydrophobicContact CD2-CG 4.2Å; F34-K99 HydrophobicContact CE1-CB 4.02Å; F34-K99 HydrophobicContact CE2-CB 4.06Å; F34-K99 HydrophobicContact CE2-CD 3.62Å; F34-K99 HydrophobicContact CE2-CG 3.91Å; F34-K99 HydrophobicContact CZ-CB 3.75Å; F34-K99 HydrophobicContact CZ-CD 4.04Å; F34-K99 HydrophobicContact CZ-CG 4.14Å; F34-L103 HydrophobicContact CD1-CB 4.3Å; F34-L103 HydrophobicContact CE1-CB 3.98Å; F34-L103 HydrophobicContact CE1-CD1 4.42Å; F34-L103 HydrophobicContact CE1-CD2 4.41Å; F34-L103 HydrophobicContact CE1-CG 4.5Å; F34-Q120 HydrophobicContact CD1-CB 4.49Å; F34-Q120 HydrophobicContact CE1-CB 3.79Å; F34-Q120 HydrophobicContact CE1-CG 4.33Å; F34-Q120 HydrophobicContact CZ-CB 3.85Å; F34-Q120 HydrophobicContact CZ-CG 4.33Å; F34-Q120 VanDerWaalsContact CZ-O 3.25Å; F34-Q120 WeakPolarHBondContact CZ-O 3.42Å; F34-E123 HydrophobicContact CE2-CB 4.42Å; F34-E123 HydrophobicContact CE2-CG 4.32Å; F34-E123 HydrophobicContact CZ-CB 4.37Å; F34-A124 HydrophobicContact CE1-CB 4.34Å; F34-A124 HydrophobicContact CZ-CB 4.17Å |
| 35 | L | 95.1 | Very high | 92.5 | Very high | 19 Ų | 19 | 30.7 Ų | 30.7 | 10% | 0.099 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.3 | -23.7 | 175.6 | -72.2 | -173.4 | 0 | 0 | 0 | 113.6 | G31 L32 G37 L103 M106 Y110 W117 Q120 | G31-L35 WeakPolarHBondContact O-CG 3.35Å; G31-L35 PolarHBondContact O-N 2.98Å; L32-L35 PolarHBondContact O-N 3.04Å; L35-G37 VanDerWaalsContact C-N 3.32Å; L35-L103 HydrophobicContact CD2-CD1 3.74Å; L35-M106 HydrophobicContact CD1-CB 3.83Å; L35-M106 HydrophobicContact CD1-CE 3.82Å; L35-M106 HydrophobicContact CD1-CG 3.93Å; L35-M106 HydrophobicContact CG-CB 4.41Å; L35-M106 HydrophobicContact CG-CG 4.26Å; L35-Y110 HydrophobicContact CD1-CE2 4.03Å; L35-W117 HydrophobicContact CD1-CZ2 4.34Å; L35-W117 HydrophobicContact CD2-CD2 3.96Å; L35-W117 HydrophobicContact CD2-CG 3.9Å; L35-Q120 HydrophobicContact CD2-CG 4.23Å |
| 36 | M | 94.9 | Very high | 92.8 | Very high | 71 Ų | 71 | 30.1 Ų | 30.1 | 35% | 0.35 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 9.9 | 177 | -64.6 | -66.7 | 117.2 | 0 | 0 | 113.4 | L32 I33 F34 V40 L48 | L32-M36 HydrophobicContact CD1-CE 4.33Å; L32-M36 HydrophobicContact CD1-CG 4.49Å; L32-M36 WeakPolarHBondContact O-CB 3.47Å; L32-M36 WeakPolarHBondContact O-CG 3.47Å; L32-M36 PolarHBondContact O-N 2.74Å; I33-M36 PolarHBondContact O-N 3.4Å; F34-M36 PolarHBondContact O-N 3.02Å; F34-M36 VanDerWaalsContact O-N 3.14Å; M36-V40 HydrophobicContact CB-CB 3.86Å; M36-V40 HydrophobicContact CB-CG2 4.23Å; M36-V40 HydrophobicContact CG-CB 4.12Å; M36-V40 HydrophobicContact CG-CG2 3.99Å; M36-L48 HydrophobicContact CE-CD1 4.48Å; M36-L48 HydrophobicContact SD-CD1 4.38Å |
| 37 | G | 94.6 | Very high | 92.7 | Very high | 33 Ų | 33 | 34.7 Ų | 34.7 | 34% | 0.34 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | 41.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | F34 L35 R39 | F34-G37 PolarHBondContact O-N 3.1Å; L35-G37 VanDerWaalsContact C-N 3.32Å; G37-R39 PolarHBondContact O-N 2.66Å; G37-R39 VanDerWaalsContact O-N 3.1Å |
| 38 | N | 95.8 | Very high | 92.4 | Very high | 44 Ų | 44 | 35.8 Ų | 35.8 | 24% | 0.235 | 18% | 0.184 | C | C | . | . | S | Bend | trans | 68.6 | -2.3 | 176 | -57.3 | -74.3 | 0 | 0 | 0 | 116.8 | I33 F34 E123 | I33-N38 WeakPolarHBondContact CG2-O 3.45Å; I33-N38 WeakPolarHBondContact O-CA 3.1Å; I33-N38 PolarHBondContact O-N 3.19Å; F34-N38 WeakPolarHBondContact CD2-OD1 3.17Å; N38-E123 VanDerWaalsContact ND2-CD 3.28Å; N38-E123 PolarHBondContact ND2-OE1 3.17Å; N38-E123 PolarHBondContact ND2-OE2 2.97Å; N38-E123 PolarHBondContact OD1-OE1 3.49Å |
| 39 | R | 94.5 | Very high | 92 | Very high | 152 Ų | 152 | 35.6 Ų | 35.6 | 57% | 0.574 | 18% | 0.182 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 145.9 | 173.9 | 71.9 | -173 | 102.7 | 176.6 | 5.8 | 110.2 | G37 E86 L87 L88 | G37-R39 PolarHBondContact O-N 2.66Å; G37-R39 VanDerWaalsContact O-N 3.1Å; R39-E86 VanDerWaalsContact CD-OE2 3.3Å; R39-E86 WeakPolarHBondContact CD-OE2 3.47Å; R39-L87 WeakPolarHBondContact CA-O 3.46Å; R39-L88 HydrophobicContact CB-CD2 4.15Å; R39-L88 HydrophobicContact CB-CG 4.05Å |
| 40 | V | 94.5 | Very high | 91.5 | Very high | 8 Ų | 8 | 42 Ų | 42 | 5% | 0.048 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 139.9 | 178.5 | 52 | 0 | 0 | 0 | 0 | 110.8 | I33 M36 E42 K44 T45 E86 L87 | I33-V40 HydrophobicContact CB-CG1 4.12Å; I33-V40 HydrophobicContact CG1-CG1 3.54Å; I33-V40 HydrophobicContact CG2-CG1 4.4Å; M36-V40 HydrophobicContact CB-CB 3.86Å; M36-V40 HydrophobicContact CB-CG2 4.23Å; M36-V40 HydrophobicContact CG-CB 4.12Å; M36-V40 HydrophobicContact CG-CG2 3.99Å; V40-E42 PolarHBondContact O-N 3.34Å; V40-K44 HydrophobicContact CG2-CB 4.02Å; V40-K44 HydrophobicContact CG2-CD 4.15Å; V40-K44 HydrophobicContact CG2-CG 4.16Å; V40-T45 HydrophobicContact CG1-CG2 4.44Å; V40-T45 WeakPolarHBondContact CG1-OG1 3.3Å; V40-T45 WeakPolarHBondContact CG2-OG1 3.24Å; V40-E86 CarbonylContact O-C 3.57Å; V40-E86 WeakPolarHBondContact O-CA 3.35Å; V40-L87 PolarHBondContact N-O 2.75Å; V40-L87 VanDerWaalsContact N-O 3.1Å; V40-L87 PolarHBondContact O-N 2.81Å |
| 41 | K | 92.8 | Very high | 90.6 | Very high | 87 Ų | 87 | 51.3 Ų | 51.3 | 38% | 0.378 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -52.6 | 129.4 | 171.9 | -73.6 | -167.8 | 172.1 | -160.3 | 0 | 110 | A43 K44 T45 L77 E84 Y85 | K41-A43 VanDerWaalsContact C-N 3.26Å; K41-A43 PolarHBondContact O-N 3.3Å; K41-K44 HydrophobicContact CB-CB 4.07Å; K41-K44 WeakPolarHBondContact O-CA 3.3Å; K41-K44 WeakPolarHBondContact O-CB 3.41Å; K41-K44 PolarHBondContact O-N 3Å; K41-T45 PolarHBondContact O-N 3.45Å; K41-T45 PolarHBondContact O-OG1 3.45Å; K41-T45 VanDerWaalsContact O-OG1 3.11Å; K41-L77 HydrophobicContact CD-CD1 4.17Å; K41-L77 HydrophobicContact CG-CD1 3.83Å; K41-E84 IonicContact NZ-OE1 3.81Å; K41-E84 PolarHBondContact NZ-OE1 3.06Å; K41-E84 IonicContact NZ-OE2 2.66Å; K41-E84 PolarHBondContact NZ-OE2 2.93Å; K41-Y85 CarbonylContact C-O 3.39Å; K41-Y85 WeakPolarHBondContact CA-O 3.32Å |
| 42 | E | 90.7 | Very high | 89.3 | Confident | 30 Ų | 30 | 52.3 Ų | 52.3 | 14% | 0.14 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -52.2 | -48 | -178.1 | -165.4 | -150.2 | -169.6 | 0 | 0 | 110.8 | V40 K44 T45 W46 K59 Y85 L87 | V40-E42 PolarHBondContact O-N 3.34Å; E42-K44 VanDerWaalsContact C-N 3.3Å; E42-K44 PolarHBondContact O-N 3.04Å; E42-T45 WeakPolarHBondContact O-CB 3.48Å; E42-T45 PolarHBondContact O-N 3.28Å; E42-T45 VanDerWaalsContact O-N 3.1Å; E42-W46 PolarHBondContact O-N 3.44Å; E42-W46 VanDerWaalsContact O-N 3.13Å; E42-K59 VanDerWaalsContact CD-NZ 3.28Å; E42-K59 WeakPolarHBondContact OE1-CE 3.37Å; E42-K59 IonicContact OE1-NZ 3.97Å; E42-K59 PolarHBondContact OE1-NZ 2.86Å; E42-K59 WeakPolarHBondContact OE2-CE 3.45Å; E42-K59 IonicContact OE2-NZ 3.84Å; E42-K59 PolarHBondContact OE2-NZ 3.37Å; E42-Y85 PolarHBondContact N-O 2.79Å; E42-L87 HydrophobicContact CB-CD1 4.42Å; E42-L87 HydrophobicContact CB-CG 4.12Å; E42-L87 HydrophobicContact CG-CD1 3.9Å; E42-L87 HydrophobicContact CG-CD2 4.15Å; E42-L87 HydrophobicContact CG-CG 3.96Å |
| 43 | A | 88.3 | Confident | 88.2 | Confident | 54 Ų | 54 | 57.8 Ų | 57.8 | 45% | 0.446 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -56.3 | -41.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | K41 W46 N47 | K41-A43 VanDerWaalsContact C-N 3.26Å; K41-A43 PolarHBondContact O-N 3.3Å; A43-W46 PolarHBondContact O-N 2.92Å; A43-N47 PolarHBondContact O-N 2.87Å; A43-N47 VanDerWaalsContact O-N 3.1Å; A43-N47 PolarHBondContact O-ND2 3.31Å |
| 44 | K | 89.9 | Confident | 87.1 | Confident | 105 Ų | 105 | 58.7 Ų | 58.7 | 46% | 0.457 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.5 | -39.4 | 177.6 | -175.1 | 177.7 | 178.7 | -172.4 | 0 | 111.2 | V40 K41 E42 W46 N47 L48 | V40-K44 HydrophobicContact CG2-CB 4.02Å; V40-K44 HydrophobicContact CG2-CD 4.15Å; V40-K44 HydrophobicContact CG2-CG 4.16Å; K41-K44 HydrophobicContact CB-CB 4.07Å; K41-K44 WeakPolarHBondContact O-CA 3.3Å; K41-K44 WeakPolarHBondContact O-CB 3.41Å; K41-K44 PolarHBondContact O-N 3Å; E42-K44 VanDerWaalsContact C-N 3.3Å; E42-K44 PolarHBondContact O-N 3.04Å; K44-W46 PolarHBondContact O-N 3.14Å; K44-N47 PolarHBondContact O-N 2.88Å; K44-L48 HydrophobicContact CG-CD1 4.04Å; K44-L48 WeakPolarHBondContact O-CG 3.49Å; K44-L48 PolarHBondContact O-N 3.35Å; K44-L48 VanDerWaalsContact O-N 3.08Å |
| 45 | T | 89 | Confident | 85.9 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -56.2 | -51.9 | 176.2 | -47.2 | 0 | 0 | 0 | 0 | 110.6 | L32 V40 K41 E42 N47 L48 L49 L87 | L32-T45 HydrophobicContact CD2-CG2 3.86Å; V40-T45 HydrophobicContact CG1-CG2 4.44Å; V40-T45 WeakPolarHBondContact CG1-OG1 3.3Å; V40-T45 WeakPolarHBondContact CG2-OG1 3.24Å; K41-T45 PolarHBondContact O-N 3.45Å; K41-T45 PolarHBondContact O-OG1 3.45Å; K41-T45 VanDerWaalsContact O-OG1 3.11Å; E42-T45 WeakPolarHBondContact O-CB 3.48Å; E42-T45 PolarHBondContact O-N 3.28Å; E42-T45 VanDerWaalsContact O-N 3.1Å; T45-N47 PolarHBondContact O-N 3.31Å; T45-L48 PolarHBondContact O-N 3.06Å; T45-L49 HydrophobicContact CG2-CD1 3.88Å; T45-L49 HydrophobicContact CG2-CG 4.43Å; T45-L49 WeakPolarHBondContact O-CB 3.49Å; T45-L49 VanDerWaalsContact O-CG 3.26Å; T45-L49 WeakPolarHBondContact O-CG 3.4Å; T45-L49 PolarHBondContact O-N 2.82Å; T45-L87 HydrophobicContact CG2-CD1 4.09Å |
| 46 | W | 87.4 | Confident | 84.7 | Confident | 6 Ų | 6 | 64.2 Ų | 64.2 | 2% | 0.023 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68.8 | -36.3 | -177.1 | -67.3 | 105.2 | 0 | 0 | 0 | 113.6 | I29 E42 A43 K44 L48 L49 Q50 V54 V56 K59 I62 T63 | I29-W46 HydrophobicContact CD1-CH2 4.27Å; E42-W46 PolarHBondContact O-N 3.44Å; E42-W46 VanDerWaalsContact O-N 3.13Å; A43-W46 PolarHBondContact O-N 2.92Å; K44-W46 PolarHBondContact O-N 3.14Å; W46-L48 VanDerWaalsContact C-N 3.26Å; W46-L48 PolarHBondContact O-N 2.84Å; W46-L49 HydrophobicContact CD2-CD1 4.18Å; W46-L49 HydrophobicContact CE3-CD1 3.83Å; W46-L49 HydrophobicContact CH2-CD1 4.36Å; W46-L49 HydrophobicContact CZ3-CD1 3.93Å; W46-L49 PolarHBondContact O-N 3.19Å; W46-Q50 PolarHBondContact O-N 2.91Å; W46-V54 HydrophobicContact CZ3-CG1 4.27Å; W46-V56 HydrophobicContact CB-CG1 4.35Å; W46-V56 HydrophobicContact CE3-CG1 4.44Å; W46-K59 HydrophobicContact CB-CD 4.13Å; W46-K59 HydrophobicContact CD2-CB 3.83Å; W46-K59 HydrophobicContact CD2-CD 3.81Å; W46-K59 HydrophobicContact CD2-CG 3.58Å; W46-K59 VanDerWaalsContact CE2-CG 3.46Å; W46-K59 HydrophobicContact CE3-CB 3.85Å; W46-K59 HydrophobicContact CE3-CG 4.14Å; W46-K59 HydrophobicContact CG-CB 4.4Å; W46-K59 HydrophobicContact CG-CD 3.48Å; W46-K59 VanDerWaalsContact CG-CD 3.48Å; W46-K59 HydrophobicContact CG-CG 3.85Å; W46-K59 HydrophobicContact CH2-CB 4.31Å; W46-K59 HydrophobicContact CH2-CG 4.5Å; W46-K59 HydrophobicContact CZ2-CB 4.28Å; W46-K59 HydrophobicContact CZ2-CG 3.97Å; W46-K59 WeakPolarHBondContact CZ2-O 3.35Å; W46-K59 HydrophobicContact CZ3-CB 4.09Å; W46-K59 VanDerWaalsContact NE1-CE 3.35Å; W46-I62 HydrophobicContact CH2-CB 3.81Å; W46-I62 HydrophobicContact CH2-CD1 4.22Å; W46-I62 HydrophobicContact CH2-CG2 3.78Å; W46-I62 HydrophobicContact CZ3-CD1 4.34Å; W46-T63 WeakPolarHBondContact CZ2-OG1 3.05Å |
| 47 | N | 87.4 | Confident | 83.7 | Confident | 106 Ų | 106 | 64.4 Ų | 64.4 | 57% | 0.567 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -61.6 | -36.5 | 173.1 | -72.5 | -12.9 | 0 | 0 | 0 | 112.3 | A43 K44 T45 | A43-N47 PolarHBondContact O-N 2.87Å; A43-N47 VanDerWaalsContact O-N 3.1Å; A43-N47 PolarHBondContact O-ND2 3.31Å; K44-N47 PolarHBondContact O-N 2.88Å; T45-N47 PolarHBondContact O-N 3.31Å |
| 48 | L | 85.2 | Confident | 83 | Confident | 28 Ų | 28 | 68 Ų | 68 | 15% | 0.147 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -74.4 | -46.2 | 176.4 | -70.2 | 172 | 0 | 0 | 0 | 110.2 | L32 M36 K44 T45 W46 Q50 R51 F52 | L32-L48 HydrophobicContact CD1-CB 4.23Å; L32-L48 HydrophobicContact CD1-CD1 3.85Å; L32-L48 HydrophobicContact CD2-CB 3.61Å; L32-L48 HydrophobicContact CD2-CD1 4.14Å; L32-L48 HydrophobicContact CG-CD1 4.39Å; M36-L48 HydrophobicContact CE-CD1 4.48Å; M36-L48 HydrophobicContact SD-CD1 4.38Å; K44-L48 HydrophobicContact CG-CD1 4.04Å; K44-L48 WeakPolarHBondContact O-CG 3.49Å; K44-L48 PolarHBondContact O-N 3.35Å; K44-L48 VanDerWaalsContact O-N 3.08Å; T45-L48 PolarHBondContact O-N 3.06Å; W46-L48 VanDerWaalsContact C-N 3.26Å; W46-L48 PolarHBondContact O-N 2.84Å; L48-Q50 PolarHBondContact O-N 3.38Å; L48-R51 WeakPolarHBondContact O-CA 3.4Å; L48-R51 WeakPolarHBondContact O-CB 3.39Å; L48-R51 PolarHBondContact O-N 3.15Å; L48-F52 HydrophobicContact CB-CE2 4.36Å; L48-F52 WeakPolarHBondContact O-CD2 3.39Å; L48-F52 WeakPolarHBondContact O-CE2 3.46Å |
| 49 | L | 82.9 | Confident | 82.5 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58 | -29 | 178.8 | -72.1 | 170.6 | 0 | 0 | 0 | 114.4 | P28 I29 L32 T45 W46 R51 F52 S53 V54 | P28-L49 HydrophobicContact CB-CD2 3.92Å; I29-L49 HydrophobicContact CD1-CD1 4.31Å; I29-L49 HydrophobicContact CG1-CD1 3.59Å; I29-L49 HydrophobicContact CG1-CD2 4.1Å; L32-L49 HydrophobicContact CD2-CD2 4.41Å; L32-L49 HydrophobicContact CD2-CG 4.18Å; T45-L49 HydrophobicContact CG2-CD1 3.88Å; T45-L49 HydrophobicContact CG2-CG 4.43Å; T45-L49 WeakPolarHBondContact O-CB 3.49Å; T45-L49 VanDerWaalsContact O-CG 3.26Å; T45-L49 WeakPolarHBondContact O-CG 3.4Å; T45-L49 PolarHBondContact O-N 2.82Å; W46-L49 HydrophobicContact CD2-CD1 4.18Å; W46-L49 HydrophobicContact CE3-CD1 3.83Å; W46-L49 HydrophobicContact CH2-CD1 4.36Å; W46-L49 HydrophobicContact CZ3-CD1 3.93Å; W46-L49 PolarHBondContact O-N 3.19Å; L49-R51 PolarHBondContact O-N 3.36Å; L49-F52 CarbonylContact O-C 3.55Å; L49-F52 WeakPolarHBondContact O-CA 3.41Å; L49-F52 WeakPolarHBondContact O-CB 3.43Å; L49-F52 PolarHBondContact O-N 3.16Å; L49-S53 PolarHBondContact O-N 3.12Å; L49-V54 HydrophobicContact CB-CB 4.14Å; L49-V54 HydrophobicContact CB-CG2 4.47Å; L49-V54 HydrophobicContact CD2-CG2 4.19Å; L49-V54 PolarHBondContact O-N 2.93Å |
| 50 | Q | 81.8 | Confident | 81.9 | Confident | 135 Ų | 135 | 64.7 Ų | 64.7 | 63% | 0.631 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -55.7 | -34.8 | 170.8 | -168.8 | -178.8 | 19.8 | 0 | 0 | 112.1 | W46 L48 F52 S53 V56 | W46-Q50 PolarHBondContact O-N 2.91Å; L48-Q50 PolarHBondContact O-N 3.38Å; Q50-F52 PolarHBondContact O-N 3.38Å; Q50-S53 PolarHBondContact O-N 3.4Å; Q50-V56 HydrophobicContact CB-CG2 3.9Å; Q50-V56 HydrophobicContact CG-CG2 4.14Å |
| 51 | R | 76.6 | Confident | 81.4 | Confident | 198 Ų | 198 | 64.5 Ų | 64.5 | 75% | 0.747 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -72.8 | -17.6 | 176.5 | -53.8 | 177.7 | -179.5 | -177 | -3 | 112.8 | L48 L49 S53 | L48-R51 WeakPolarHBondContact O-CA 3.4Å; L48-R51 WeakPolarHBondContact O-CB 3.39Å; L48-R51 PolarHBondContact O-N 3.15Å; L49-R51 PolarHBondContact O-N 3.36Å; R51-S53 VanDerWaalsContact C-N 3.35Å |
| 52 | F | 66.9 | Low | 81 | Confident | 20 Ų | 20 | 60.7 Ų | 60.7 | 9% | 0.088 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -97.5 | 16.3 | 177.8 | -58.7 | -103.6 | 0 | 0 | 0 | 111.9 | L48 L49 Q50 V54 M106 F109 Y110 | L48-F52 HydrophobicContact CB-CE2 4.36Å; L48-F52 WeakPolarHBondContact O-CD2 3.39Å; L48-F52 WeakPolarHBondContact O-CE2 3.46Å; L49-F52 CarbonylContact O-C 3.55Å; L49-F52 WeakPolarHBondContact O-CA 3.41Å; L49-F52 WeakPolarHBondContact O-CB 3.43Å; L49-F52 PolarHBondContact O-N 3.16Å; Q50-F52 PolarHBondContact O-N 3.38Å; F52-V54 HydrophobicContact CB-CG2 4.38Å; F52-V54 PolarHBondContact O-N 3.21Å; F52-V54 VanDerWaalsContact O-N 3.13Å; F52-M106 HydrophobicContact CE1-CE 3.68Å; F52-M106 HydrophobicContact CZ-CE 3.8Å; F52-F109 HydrophobicContact CB-CZ 4.07Å; F52-F109 AromaticContact CD1-CD1 3.5Å; F52-F109 HydrophobicContact CD1-CD1 3.5Å; F52-F109 HydrophobicContact CD1-CD2 4.18Å; F52-F109 AromaticContact CD1-CE1 3.02Å; F52-F109 HydrophobicContact CD1-CE1 3.02Å; F52-F109 AromaticContact CD1-CE2 3.76Å; F52-F109 HydrophobicContact CD1-CE2 3.76Å; F52-F109 HydrophobicContact CD1-CG 4.08Å; F52-F109 AromaticContact CD1-CZ 3.18Å; F52-F109 HydrophobicContact CD1-CZ 3.18Å; F52-F109 AromaticContact CE1-CD1 3.38Å; F52-F109 HydrophobicContact CE1-CD1 3.38Å; F52-F109 AromaticContact CE1-CE1 3.25Å; F52-F109 HydrophobicContact CE1-CE1 3.25Å; F52-F109 HydrophobicContact CE1-CG 4.16Å; F52-F109 AromaticContact CE1-CZ 3.93Å; F52-F109 HydrophobicContact CE1-CZ 3.93Å; F52-F109 HydrophobicContact CG-CE1 4.02Å; F52-F109 AromaticContact CG-CZ 3.91Å; F52-F109 HydrophobicContact CG-CZ 3.91Å; F52-F109 HydrophobicContact CZ-CE1 4.4Å; F52-Y110 HydrophobicContact CE1-CE2 4.25Å; F52-Y110 AromaticContact CE1-CZ 3.94Å; F52-Y110 HydrophobicContact CZ-CE1 4.49Å; F52-Y110 HydrophobicContact CZ-CE2 4.26Å; F52-Y110 AromaticContact CZ-CZ 3.71Å; F52-Y110 WeakPolarHBondContact CZ-OH 3.36Å |
| 53 | S | 71.2 | Confident | 80.8 | Confident | 117 Ų | 117 | 59.5 Ų | 59.5 | 82% | 0.818 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 22.3 | -179.4 | -53.8 | 0 | 0 | 0 | 0 | 114.6 | L49 Q50 R51 | L49-S53 PolarHBondContact O-N 3.12Å; Q50-S53 PolarHBondContact O-N 3.4Å; R51-S53 VanDerWaalsContact C-N 3.35Å |
| 54 | V | 72.3 | Confident | 80.7 | Confident | 19 Ų | 19 | 57 Ų | 57 | 12% | 0.115 | 30% | 0.296 | C | S | . | . | trans | -79.7 | 125.7 | 172.2 | 178.6 | 0 | 0 | 0 | 0 | 108.5 | W46 L49 F52 V56 I62 | W46-V54 HydrophobicContact CZ3-CG1 4.27Å; L49-V54 HydrophobicContact CB-CB 4.14Å; L49-V54 HydrophobicContact CB-CG2 4.47Å; L49-V54 HydrophobicContact CD2-CG2 4.19Å; L49-V54 PolarHBondContact O-N 2.93Å; F52-V54 HydrophobicContact CB-CG2 4.38Å; F52-V54 PolarHBondContact O-N 3.21Å; F52-V54 VanDerWaalsContact O-N 3.13Å; V54-V56 WeakPolarHBondContact O-CG2 3.47Å; V54-V56 PolarHBondContact O-N 2.99Å; V54-I62 HydrophobicContact CG1-CD1 4.36Å | ||
| 55 | D | 72.7 | Confident | 80.5 | Confident | 83 Ų | 83 | 52.9 Ų | 52.9 | 44% | 0.444 | 28% | 0.278 | S | S | . | . | trans | -63.7 | 103 | -179.5 | -178.2 | 4.8 | 0 | 0 | 0 | 111.4 | G57 R58 | D55-G57 PolarHBondContact O-N 2.86Å; D55-G57 WeakPolarHBondContact OD1-CA 3.36Å; D55-G57 PolarHBondContact OD1-N 2.86Å; D55-R58 PolarHBondContact O-N 3.5Å; D55-R58 WeakPolarHBondContact OD2-CG 3.29Å; D55-R58 IonicContact OD2-CZ 3.3Å; D55-R58 IonicContact OD2-NE 2.92Å; D55-R58 PolarHBondContact OD2-NE 3.37Å | ||
| 56 | V | 68.6 | Low | 80.6 | Confident | 53 Ų | 53 | 52.9 Ų | 52.9 | 32% | 0.321 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -70.2 | -19.3 | 179.6 | -165 | 0 | 0 | 0 | 0 | 111.5 | W46 Q50 V54 R58 K59 | W46-V56 HydrophobicContact CB-CG1 4.35Å; W46-V56 HydrophobicContact CE3-CG1 4.44Å; Q50-V56 HydrophobicContact CB-CG2 3.9Å; Q50-V56 HydrophobicContact CG-CG2 4.14Å; V54-V56 WeakPolarHBondContact O-CG2 3.47Å; V54-V56 PolarHBondContact O-N 2.99Å; V56-R58 PolarHBondContact O-N 2.7Å; V56-R58 VanDerWaalsContact O-N 3.09Å; V56-K59 HydrophobicContact CG1-CB 4.25Å; V56-K59 WeakPolarHBondContact O-CB 3.49Å; V56-K59 PolarHBondContact O-N 2.87Å |
| 57 | G | 75.6 | Confident | 80.7 | Confident | 75 Ų | 75 | 53.4 Ų | 53.4 | 77% | 0.773 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -61.1 | -17.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | D55 | D55-G57 PolarHBondContact O-N 2.86Å; D55-G57 WeakPolarHBondContact OD1-CA 3.36Å; D55-G57 PolarHBondContact OD1-N 2.86Å |
| 58 | R | 79.4 | Confident | 80.7 | Confident | 108 Ų | 108 | 52.1 Ų | 52.1 | 41% | 0.408 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -107.6 | 12.2 | 176.3 | -52.8 | -178.1 | -166.1 | -160.9 | -7.6 | 113.2 | M14 D55 V56 H60 A61 I62 | M14-R58 HydrophobicContact CE-CG 3.6Å; D55-R58 PolarHBondContact O-N 3.5Å; D55-R58 WeakPolarHBondContact OD2-CG 3.29Å; D55-R58 IonicContact OD2-CZ 3.3Å; D55-R58 IonicContact OD2-NE 2.92Å; D55-R58 PolarHBondContact OD2-NE 3.37Å; V56-R58 PolarHBondContact O-N 2.7Å; V56-R58 VanDerWaalsContact O-N 3.09Å; R58-H60 VanDerWaalsContact C-N 3.3Å; R58-H60 PolarHBondContact O-N 3.38Å; R58-A61 PolarHBondContact O-N 3.1Å; R58-I62 HydrophobicContact CB-CD1 3.91Å; R58-I62 HydrophobicContact CB-CG1 4.18Å; R58-I62 WeakPolarHBondContact O-CG1 3.12Å; R58-I62 PolarHBondContact O-N 3.28Å |
| 59 | K | 84.1 | Confident | 81 | Confident | 56 Ų | 56 | 52.9 Ų | 52.9 | 24% | 0.243 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -43.5 | -56.2 | -178.2 | 157.1 | 173.5 | 178.5 | -176.1 | 0 | 111.6 | E42 W46 V56 I62 T63 | E42-K59 VanDerWaalsContact CD-NZ 3.28Å; E42-K59 WeakPolarHBondContact OE1-CE 3.37Å; E42-K59 IonicContact OE1-NZ 3.97Å; E42-K59 PolarHBondContact OE1-NZ 2.86Å; E42-K59 WeakPolarHBondContact OE2-CE 3.45Å; E42-K59 IonicContact OE2-NZ 3.84Å; E42-K59 PolarHBondContact OE2-NZ 3.37Å; W46-K59 HydrophobicContact CB-CD 4.13Å; W46-K59 HydrophobicContact CD2-CB 3.83Å; W46-K59 HydrophobicContact CD2-CD 3.81Å; W46-K59 HydrophobicContact CD2-CG 3.58Å; W46-K59 VanDerWaalsContact CE2-CG 3.46Å; W46-K59 HydrophobicContact CE3-CB 3.85Å; W46-K59 HydrophobicContact CE3-CG 4.14Å; W46-K59 HydrophobicContact CG-CB 4.4Å; W46-K59 HydrophobicContact CG-CD 3.48Å; W46-K59 VanDerWaalsContact CG-CD 3.48Å; W46-K59 HydrophobicContact CG-CG 3.85Å; W46-K59 HydrophobicContact CH2-CB 4.31Å; W46-K59 HydrophobicContact CH2-CG 4.5Å; W46-K59 HydrophobicContact CZ2-CB 4.28Å; W46-K59 HydrophobicContact CZ2-CG 3.97Å; W46-K59 WeakPolarHBondContact CZ2-O 3.35Å; W46-K59 HydrophobicContact CZ3-CB 4.09Å; W46-K59 VanDerWaalsContact NE1-CE 3.35Å; V56-K59 HydrophobicContact CG1-CB 4.25Å; V56-K59 WeakPolarHBondContact O-CB 3.49Å; V56-K59 PolarHBondContact O-N 2.87Å; K59-I62 PolarHBondContact O-N 3.19Å; K59-T63 PolarHBondContact O-N 3.49Å; K59-T63 PolarHBondContact O-OG1 3.37Å; K59-T63 VanDerWaalsContact O-OG1 3.12Å |
| 60 | H | 82.3 | Confident | 81.4 | Confident | 70 Ų | 70 | 59.1 Ų | 59.1 | 32% | 0.324 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.1 | -48.5 | -172.4 | -173.1 | 64.2 | 0 | 0 | 0 | 111.1 | E11 R58 I62 T63 C64 | E11-H60 IonicContact OE1-CD2 2.86Å; E11-H60 PolarHBondContact OE1-CD2 3.22Å; E11-H60 IonicContact OE1-CG 2.86Å; E11-H60 IonicContact OE1-NE2 2.67Å; E11-H60 PolarHBondContact OE1-NE2 3.2Å; E11-H60 IonicContact OE2-CD2 3.31Å; E11-H60 PolarHBondContact OE2-CD2 3Å; E11-H60 VanDerWaalsContact OE2-CD2 3.3Å; E11-H60 IonicContact OE2-NE2 3.38Å; E11-H60 PolarHBondContact OE2-NE2 3.39Å; R58-H60 VanDerWaalsContact C-N 3.3Å; R58-H60 PolarHBondContact O-N 3.38Å; H60-I62 VanDerWaalsContact C-N 3.35Å; H60-I62 PolarHBondContact O-N 3Å; H60-T63 PolarHBondContact O-N 3.08Å; H60-C64 VanDerWaalsContact CE1-SG 3.52Å; H60-C64 VanDerWaalsContact O-CB 3.32Å; H60-C64 WeakPolarHBondContact O-CB 3.4Å; H60-C64 PolarHBondContact O-N 2.87Å; H60-C64 PolarHBondContact O-SG 3.5Å |
| 61 | A | 83.4 | Confident | 82 | Confident | 5 Ų | 5 | 53.2 Ų | 53.2 | 4% | 0.041 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59 | -42.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E11 M14 L15 L18 R58 K65 | E11-A61 HydrophobicContact CG-CB 4.5Å; M14-A61 HydrophobicContact CB-CB 4.29Å; L15-A61 HydrophobicContact CD2-CB 4.18Å; L15-A61 WeakPolarHBondContact CD2-O 3.15Å; L15-A61 HydrophobicContact CG-CB 4.25Å; L18-A61 HydrophobicContact CD1-CB 3.66Å; R58-A61 PolarHBondContact O-N 3.1Å; A61-K65 WeakPolarHBondContact O-CB 3.36Å; A61-K65 PolarHBondContact O-N 3.32Å |
| 62 | I | 84.3 | Confident | 82.9 | Confident | 6 Ų | 6 | 44 Ų | 44 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.3 | -49 | 177.1 | -65.4 | 166 | 0 | 0 | 0 | 110.6 | L18 Y25 I29 W46 V54 R58 K59 H60 C64 K65 L66 | L18-I62 HydrophobicContact CD1-CG1 4.32Å; L18-I62 HydrophobicContact CD2-CG1 4.14Å; Y25-I62 HydrophobicContact CD2-CG2 3.98Å; Y25-I62 HydrophobicContact CG-CG2 4.35Å; I29-I62 HydrophobicContact CD1-CG2 3.73Å; W46-I62 HydrophobicContact CH2-CB 3.81Å; W46-I62 HydrophobicContact CH2-CD1 4.22Å; W46-I62 HydrophobicContact CH2-CG2 3.78Å; W46-I62 HydrophobicContact CZ3-CD1 4.34Å; V54-I62 HydrophobicContact CG1-CD1 4.36Å; R58-I62 HydrophobicContact CB-CD1 3.91Å; R58-I62 HydrophobicContact CB-CG1 4.18Å; R58-I62 WeakPolarHBondContact O-CG1 3.12Å; R58-I62 PolarHBondContact O-N 3.28Å; K59-I62 PolarHBondContact O-N 3.19Å; H60-I62 VanDerWaalsContact C-N 3.35Å; H60-I62 PolarHBondContact O-N 3Å; I62-C64 PolarHBondContact O-N 2.97Å; I62-K65 PolarHBondContact O-N 3.25Å; I62-L66 HydrophobicContact CG2-CD1 3.91Å; I62-L66 HydrophobicContact CG2-CG 4.33Å; I62-L66 WeakPolarHBondContact O-CB 3.34Å; I62-L66 WeakPolarHBondContact O-CG 3.41Å; I62-L66 PolarHBondContact O-N 3.38Å |
| 63 | T | 87.4 | Confident | 84.2 | Confident | 6 Ų | 6 | 46 Ų | 46 | 4% | 0.037 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -56.4 | -52.4 | 176.6 | -59 | 0 | 0 | 0 | 0 | 110.7 | W46 K59 H60 K65 L66 M67 L87 | W46-T63 WeakPolarHBondContact CZ2-OG1 3.05Å; K59-T63 PolarHBondContact O-N 3.49Å; K59-T63 PolarHBondContact O-OG1 3.37Å; K59-T63 VanDerWaalsContact O-OG1 3.12Å; H60-T63 PolarHBondContact O-N 3.08Å; T63-K65 VanDerWaalsContact C-N 3.32Å; T63-K65 PolarHBondContact O-N 3.46Å; T63-L66 PolarHBondContact O-N 3.38Å; T63-M67 HydrophobicContact CG2-CG 4.26Å; T63-M67 HydrophobicContact CG2-SD 3.86Å; T63-M67 WeakPolarHBondContact O-CB 3.41Å; T63-M67 VanDerWaalsContact O-CG 3.3Å; T63-M67 WeakPolarHBondContact O-CG 3.45Å; T63-M67 PolarHBondContact O-N 2.99Å; T63-L87 HydrophobicContact CG2-CD2 4.33Å |
| 64 | C | 85.6 | Confident | 85.2 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56.4 | -44.9 | -179.8 | -72.7 | 0 | 0 | 0 | 0 | 111.9 | L15 H60 I62 M67 R68 | L15-C64 HydrophobicContact CD2-CB 4.04Å; H60-C64 VanDerWaalsContact CE1-SG 3.52Å; H60-C64 VanDerWaalsContact O-CB 3.32Å; H60-C64 WeakPolarHBondContact O-CB 3.4Å; H60-C64 PolarHBondContact O-N 2.87Å; H60-C64 PolarHBondContact O-SG 3.5Å; I62-C64 PolarHBondContact O-N 2.97Å; C64-M67 PolarHBondContact O-N 2.86Å; C64-R68 WeakPolarHBondContact O-CB 3.21Å; C64-R68 WeakPolarHBondContact O-CG 3.5Å; C64-R68 PolarHBondContact O-N 2.89Å |
| 65 | K | 86.2 | Confident | 86 | Confident | 19 Ų | 19 | 46.5 Ų | 46.5 | 8% | 0.083 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.3 | -47.1 | 178 | -170.9 | -172.3 | -172.5 | 73 | 0 | 112.2 | L15 L18 G19 A61 I62 T63 M67 R68 Q69 | L15-K65 HydrophobicContact CD2-CB 3.96Å; L15-K65 PolarHBondContact O-NZ 3.11Å; L18-K65 VanDerWaalsContact C-NZ 3.34Å; L18-K65 HydrophobicContact CB-CD 3.67Å; L18-K65 HydrophobicContact CD1-CD 4.13Å; L18-K65 HydrophobicContact CG-CD 4.42Å; L18-K65 PolarHBondContact O-NZ 3.32Å; G19-K65 WeakPolarHBondContact O-CE 3.48Å; G19-K65 PolarHBondContact O-NZ 2.9Å; A61-K65 WeakPolarHBondContact O-CB 3.36Å; A61-K65 PolarHBondContact O-N 3.32Å; I62-K65 PolarHBondContact O-N 3.25Å; T63-K65 VanDerWaalsContact C-N 3.32Å; T63-K65 PolarHBondContact O-N 3.46Å; K65-M67 VanDerWaalsContact C-N 3.33Å; K65-M67 PolarHBondContact O-N 3.43Å; K65-R68 PolarHBondContact O-N 3.23Å; K65-Q69 WeakPolarHBondContact O-CB 3.47Å; K65-Q69 WeakPolarHBondContact O-CG 3.36Å; K65-Q69 PolarHBondContact O-N 3.16Å |
| 66 | L | 90.3 | Very high | 86.8 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.8 | -34.1 | -179.9 | -68.5 | -179.1 | 0 | 0 | 0 | 112.2 | P21 Y25 L26 I29 I62 T63 Q69 R70 Y71 L72 | P21-L66 HydrophobicContact CB-CD2 4.07Å; Y25-L66 HydrophobicContact CD2-CD2 4.47Å; Y25-L66 HydrophobicContact CE2-CD2 4.44Å; L26-L66 HydrophobicContact CD1-CD2 3.83Å; I29-L66 HydrophobicContact CD1-CD1 3.56Å; I62-L66 HydrophobicContact CG2-CD1 3.91Å; I62-L66 HydrophobicContact CG2-CG 4.33Å; I62-L66 WeakPolarHBondContact O-CB 3.34Å; I62-L66 WeakPolarHBondContact O-CG 3.41Å; I62-L66 PolarHBondContact O-N 3.38Å; T63-L66 PolarHBondContact O-N 3.38Å; L66-Q69 CarbonylContact O-C 3.58Å; L66-R70 PolarHBondContact O-N 3.2Å; L66-R70 VanDerWaalsContact O-N 3.12Å; L66-Y71 HydrophobicContact CD2-CD2 4.23Å; L66-Y71 HydrophobicContact CD2-CG 4.49Å; L66-Y71 PolarHBondContact O-N 2.92Å; L66-L72 HydrophobicContact CB-CB 4.27Å; L66-L72 HydrophobicContact CB-CD1 3.71Å; L66-L72 HydrophobicContact CB-CG 3.83Å; L66-L72 HydrophobicContact CD1-CD1 3.7Å; L66-L72 HydrophobicContact CD1-CG 4.21Å; L66-L72 HydrophobicContact CG-CD1 4.38Å; L66-L72 PolarHBondContact O-N 3.45Å |
| 67 | M | 90.8 | Very high | 87.7 | Confident | 17 Ų | 17 | 45.5 Ų | 45.5 | 8% | 0.084 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.1 | -47.2 | 171 | -72.7 | -178.7 | 71.8 | 0 | 0 | 111.9 | L2 P4 T63 C64 K65 Q69 R70 L72 C74 | L2-M67 WeakPolarHBondContact O-CE 3.4Å; P4-M67 VanDerWaalsContact CD-CE 3.42Å; P4-M67 HydrophobicContact CG-CE 3.99Å; P4-M67 HydrophobicContact CG-SD 3.84Å; T63-M67 HydrophobicContact CG2-CG 4.26Å; T63-M67 HydrophobicContact CG2-SD 3.86Å; T63-M67 WeakPolarHBondContact O-CB 3.41Å; T63-M67 VanDerWaalsContact O-CG 3.3Å; T63-M67 WeakPolarHBondContact O-CG 3.45Å; T63-M67 PolarHBondContact O-N 2.99Å; C64-M67 PolarHBondContact O-N 2.86Å; K65-M67 VanDerWaalsContact C-N 3.33Å; K65-M67 PolarHBondContact O-N 3.43Å; M67-Q69 PolarHBondContact O-N 3.4Å; M67-R70 PolarHBondContact O-N 2.89Å; M67-L72 HydrophobicContact CG-CB 4.23Å; M67-C74 HydrophobicContact CE-CB 3.5Å; M67-C74 HydrophobicContact CG-CB 4.47Å; M67-C74 HydrophobicContact SD-CB 3.53Å; M67-C74 VanDerWaalsContact SD-CB 3.53Å |
| 68 | R | 88.3 | Confident | 88 | Confident | 78 Ų | 78 | 46.6 Ų | 46.6 | 29% | 0.294 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -56.7 | -39.7 | 175.7 | -80.5 | 178.9 | -166.3 | 123.1 | 8.3 | 111.8 | V3 P4 P6 C64 K65 R70 | V3-R68 HydrophobicContact CG1-CB 4.38Å; V3-R68 HydrophobicContact CG1-CG 3.34Å; P4-R68 PolarHBondContact O-NH2 3.36Å; P6-R68 VanDerWaalsContact N-NH2 3.16Å; C64-R68 WeakPolarHBondContact O-CB 3.21Å; C64-R68 WeakPolarHBondContact O-CG 3.5Å; C64-R68 PolarHBondContact O-N 2.89Å; K65-R68 PolarHBondContact O-N 3.23Å; R68-R70 PolarHBondContact O-N 3.21Å |
| 69 | Q | 89.7 | Confident | 87.9 | Confident | 45 Ų | 45 | 52.7 Ų | 52.7 | 21% | 0.21 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 3 | 178.3 | -67.4 | 175.2 | -3.8 | 0 | 0 | 113.5 | K65 L66 M67 Y71 R92 | K65-Q69 WeakPolarHBondContact O-CB 3.47Å; K65-Q69 WeakPolarHBondContact O-CG 3.36Å; K65-Q69 PolarHBondContact O-N 3.16Å; L66-Q69 CarbonylContact O-C 3.58Å; M67-Q69 PolarHBondContact O-N 3.4Å; Q69-Y71 HydrophobicContact CB-CD2 3.69Å; Q69-Y71 HydrophobicContact CB-CE2 4.07Å; Q69-Y71 PolarHBondContact O-N 3.45Å; Q69-R92 WeakPolarHBondContact O-CD 3.48Å |
| 70 | R | 92.6 | Very high | 87.6 | Confident | 131 Ų | 131 | 51.1 Ų | 51.1 | 49% | 0.494 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 21.9 | 177.8 | -53.6 | -64.4 | -165.3 | 151.6 | 4.2 | 114.8 | L66 M67 R68 G90 P91 R92 | L66-R70 PolarHBondContact O-N 3.2Å; L66-R70 VanDerWaalsContact O-N 3.12Å; M67-R70 PolarHBondContact O-N 2.89Å; R68-R70 PolarHBondContact O-N 3.21Å; R70-G90 CarbonylContact O-C 3.58Å; R70-G90 VanDerWaalsContact O-C 3.24Å; R70-G90 VanDerWaalsContact O-CA 3.31Å; R70-G90 WeakPolarHBondContact O-CA 3.23Å; R70-P91 HydrophobicContact CB-CG 4.07Å; R70-P91 WeakPolarHBondContact O-CD 3.3Å; R70-R92 HydrophobicContact CB-CB 3.96Å; R70-R92 VanDerWaalsContact O-CB 3.27Å; R70-R92 WeakPolarHBondContact O-CB 3.38Å; R70-R92 PolarHBondContact O-N 3.3Å |
| 71 | Y | 94.6 | Very high | 87.4 | Confident | 11 Ų | 11 | 55.8 Ų | 55.8 | 4% | 0.043 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -80 | -29.5 | 169.8 | -77 | -71.3 | 0 | 0 | 0 | 112.4 | P21 L26 L66 Q69 G90 R92 A93 E96 | P21-Y71 HydrophobicContact CB-CE2 4.4Å; P21-Y71 HydrophobicContact CG-CD2 4.5Å; P21-Y71 HydrophobicContact CG-CE2 3.8Å; L26-Y71 HydrophobicContact CD1-CD1 3.64Å; L26-Y71 HydrophobicContact CD1-CD2 4.2Å; L26-Y71 HydrophobicContact CD1-CE1 4.16Å; L26-Y71 HydrophobicContact CD1-CG 3.64Å; L26-Y71 HydrophobicContact CD2-CD1 4.08Å; L26-Y71 HydrophobicContact CD2-CE1 3.72Å; L26-Y71 HydrophobicContact CD2-CE2 4.36Å; L26-Y71 HydrophobicContact CG-CD1 4.48Å; L66-Y71 HydrophobicContact CD2-CD2 4.23Å; L66-Y71 HydrophobicContact CD2-CG 4.49Å; L66-Y71 PolarHBondContact O-N 2.92Å; Q69-Y71 HydrophobicContact CB-CD2 3.69Å; Q69-Y71 HydrophobicContact CB-CE2 4.07Å; Q69-Y71 PolarHBondContact O-N 3.45Å; Y71-G90 PolarHBondContact O-N 3.21Å; Y71-R92 HydrophobicContact CD1-CB 4.46Å; Y71-R92 HydrophobicContact CD1-CG 4.33Å; Y71-R92 HydrophobicContact CE1-CG 3.98Å; Y71-R92 HydrophobicContact CE2-CG 4.43Å; Y71-R92 PolarHBondContact OH-NE 3.34Å; Y71-A93 HydrophobicContact CD1-CB 4.02Å; Y71-A93 WeakPolarHBondContact O-CB 3.42Å; Y71-E96 PolarHBondContact OH-OE2 2.92Å |
| 72 | L | 94.9 | Very high | 87.5 | Confident | 5 Ų | 5 | 60.6 Ų | 60.6 | 3% | 0.026 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 146.2 | 176.5 | -67.4 | 179.9 | 0 | 0 | 0 | 111.5 | I29 L30 I33 L66 M67 L87 L88 | I29-L72 HydrophobicContact CG2-CD1 4.05Å; I29-L72 HydrophobicContact CG2-CD2 4.04Å; L30-L72 HydrophobicContact CD2-CD2 4Å; I33-L72 HydrophobicContact CD1-CD2 3.34Å; L66-L72 HydrophobicContact CB-CB 4.27Å; L66-L72 HydrophobicContact CB-CD1 3.71Å; L66-L72 HydrophobicContact CB-CG 3.83Å; L66-L72 HydrophobicContact CD1-CD1 3.7Å; L66-L72 HydrophobicContact CD1-CG 4.21Å; L66-L72 HydrophobicContact CG-CD1 4.38Å; L66-L72 PolarHBondContact O-N 3.45Å; M67-L72 HydrophobicContact CG-CB 4.23Å; L72-L87 HydrophobicContact CD1-CD1 4.48Å; L72-L88 WeakPolarHBondContact CA-O 3.47Å; L72-L88 WeakPolarHBondContact CD2-O 3.5Å |
| 73 | E | 94.2 | Very high | 87.5 | Confident | 62 Ų | 62 | 64.4 Ų | 64.4 | 29% | 0.29 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 134.1 | 159.2 | -72.5 | 180 | -160.8 | 0 | 0 | 108.8 | R75 L87 L88 P91 | E73-R75 IonicContact OE2-CZ 3.13Å; E73-R75 IonicContact OE2-NE 2.81Å; E73-R75 PolarHBondContact OE2-NE 2.84Å; E73-R75 IonicContact OE2-NH2 2.75Å; E73-R75 PolarHBondContact OE2-NH2 2.67Å; E73-L87 WeakPolarHBondContact O-CA 3.37Å; E73-L88 HydrophobicContact CB-CB 4.42Å; E73-L88 PolarHBondContact N-O 2.88Å; E73-L88 PolarHBondContact O-N 3.49Å; E73-P91 WeakPolarHBondContact OE1-CD 3.39Å |
| 74 | C | 91.2 | Very high | 87.6 | Confident | 29 Ų | 29 | 67.6 Ų | 67.6 | 20% | 0.196 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 122.5 | 174.7 | -172.9 | 0 | 0 | 0 | 0 | 107.9 | M67 Y85 E86 L87 | M67-C74 HydrophobicContact CE-CB 3.5Å; M67-C74 HydrophobicContact CG-CB 4.47Å; M67-C74 HydrophobicContact SD-CB 3.53Å; M67-C74 VanDerWaalsContact SD-CB 3.53Å; C74-Y85 VanDerWaalsContact SG-CB 3.58Å; C74-E86 WeakPolarHBondContact CA-O 3.42Å; C74-L87 HydrophobicContact CB-CD2 4Å |
| 75 | R | 90.9 | Very high | 87.8 | Confident | 116 Ų | 116 | 72.7 Ų | 72.7 | 44% | 0.438 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 137.2 | -176.6 | -61.7 | -177.6 | -173.8 | 173.8 | -0.9 | 110.1 | E73 Y85 E86 L88 | E73-R75 IonicContact OE2-CZ 3.13Å; E73-R75 IonicContact OE2-NE 2.81Å; E73-R75 PolarHBondContact OE2-NE 2.84Å; E73-R75 IonicContact OE2-NH2 2.75Å; E73-R75 PolarHBondContact OE2-NH2 2.67Å; R75-Y85 CarbonylContact O-C 3.5Å; R75-Y85 WeakPolarHBondContact O-CA 3.4Å; R75-E86 HydrophobicContact CB-CG 4.1Å; R75-E86 PolarHBondContact N-O 3.37Å; R75-E86 PolarHBondContact O-N 2.94Å; R75-L88 HydrophobicContact CB-CD1 4.27Å; R75-L88 HydrophobicContact CG-CD1 3.88Å |
| 76 | P | 89.4 | Confident | 88.2 | Confident | 75 Ų | 75 | 73.2 Ų | 73.2 | 49% | 0.487 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 136.1 | 174.2 | 28.7 | -33.1 | 0 | 0 | 0 | 109.5 | S78 V83 Y85 | P76-S78 PolarHBondContact O-N 3.24Å; P76-V83 HydrophobicContact CB-CG1 4.05Å; P76-Y85 HydrophobicContact CB-CD1 4.28Å; P76-Y85 HydrophobicContact CB-CE1 4.1Å |
| 77 | L | 86.5 | Confident | 88.4 | Confident | 40 Ų | 40 | 73.2 Ų | 73.2 | 21% | 0.209 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -74.3 | 118 | 169.1 | -72.5 | 177.8 | 0 | 0 | 0 | 108.7 | K41 Y79 S80 E84 E86 | K41-L77 HydrophobicContact CD-CD1 4.17Å; K41-L77 HydrophobicContact CG-CD1 3.83Å; L77-Y79 PolarHBondContact O-N 2.81Å; L77-S80 PolarHBondContact O-N 3.29Å; L77-S80 PolarHBondContact O-OG 3.31Å; L77-E84 HydrophobicContact CB-CB 4.33Å; L77-E84 HydrophobicContact CD1-CB 3.91Å; L77-E84 PolarHBondContact N-O 2.9Å; L77-E86 HydrophobicContact CD2-CB 4.02Å; L77-E86 HydrophobicContact CD2-CG 3.88Å; L77-E86 HydrophobicContact CG-CB 4.35Å; L77-E86 HydrophobicContact CG-CG 4.44Å |
| 78 | S | 83.1 | Confident | 88.7 | Confident | 98 Ų | 98 | 73.6 Ų | 73.6 | 69% | 0.685 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 139.4 | 175.7 | -49.4 | 0 | 0 | 0 | 0 | 110.3 | P76 S80 | P76-S78 PolarHBondContact O-N 3.24Å; S78-S80 VanDerWaalsContact C-N 3.29Å; S78-S80 PolarHBondContact O-N 3.11Å |
| 79 | Y | 75.6 | Confident | 89.1 | Confident | 236 Ų | 236 | 70.2 Ų | 70.2 | 93% | 0.925 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | 18 | 173.7 | -46.7 | -80.4 | 0 | 0 | 0 | 116.4 | L77 | L77-Y79 PolarHBondContact O-N 2.81Š|
| 80 | S | 78.4 | Confident | 89.4 | Confident | 23 Ų | 23 | 68.1 Ų | 68.1 | 16% | 0.161 | 34% | 0.34 | C | S | . | . | trans | -86.3 | 135.3 | 171.3 | 54.8 | 0 | 0 | 0 | 0 | 111.7 | L77 S78 P82 V83 E84 | L77-S80 PolarHBondContact O-N 3.29Å; L77-S80 PolarHBondContact O-OG 3.31Å; S78-S80 VanDerWaalsContact C-N 3.29Å; S78-S80 PolarHBondContact O-N 3.11Å; S80-P82 CarbonylContact C-O 3.55Å; S80-P82 VanDerWaalsContact C-O 3.25Å; S80-P82 WeakPolarHBondContact CB-O 3.44Å; S80-P82 CarbonylContact O-C 3.24Å; S80-V83 WeakPolarHBondContact OG-CA 3.48Å; S80-E84 PolarHBondContact OG-N 3.21Å | ||
| 81 | N | 78.5 | Confident | 89.5 | Confident | 168 Ų | 168 | 65.2 Ų | 65.2 | 90% | 0.898 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -135.8 | 107.8 | 172.6 | -173.5 | 21.8 | 0 | 0 | 0 | 110.3 | ||
| 82 | P | 84.5 | Confident | 89.5 | Confident | 106 Ų | 106 | 69.3 Ų | 69.3 | 69% | 0.688 | 35% | 0.353 | S | S | * | . | S | Bend | cis | -66.2 | 163.1 | 1.1 | 29.6 | -35.9 | 0 | 0 | 0 | 112.9 | S80 E84 | S80-P82 CarbonylContact C-O 3.55Å; S80-P82 VanDerWaalsContact C-O 3.25Å; S80-P82 WeakPolarHBondContact CB-O 3.44Å; S80-P82 CarbonylContact O-C 3.24Å; P82-E84 PolarHBondContact O-N 2.98Å; P82-E84 VanDerWaalsContact O-N 3.16Å |
| 83 | V | 85.4 | Confident | 89.5 | Confident | 87 Ų | 87 | 69.1 Ų | 69.1 | 53% | 0.527 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 118.7 | -179.6 | -179.8 | 0 | 0 | 0 | 0 | 110 | P76 S80 Y85 | P76-V83 HydrophobicContact CB-CG1 4.05Å; S80-V83 WeakPolarHBondContact OG-CA 3.48Å; V83-Y85 HydrophobicContact CG1-CE1 4.45Å; V83-Y85 HydrophobicContact CG1-CE2 4.07Å |
| 84 | E | 89.2 | Confident | 89.6 | Confident | 73 Ų | 73 | 70 Ų | 70 | 34% | 0.341 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -97.4 | 156.8 | 171.8 | -65 | -177.2 | 107.3 | 0 | 0 | 110.2 | K41 L77 S80 P82 | K41-E84 IonicContact NZ-OE1 3.81Å; K41-E84 PolarHBondContact NZ-OE1 3.06Å; K41-E84 IonicContact NZ-OE2 2.66Å; K41-E84 PolarHBondContact NZ-OE2 2.93Å; L77-E84 HydrophobicContact CB-CB 4.33Å; L77-E84 HydrophobicContact CD1-CB 3.91Å; L77-E84 PolarHBondContact N-O 2.9Å; S80-E84 PolarHBondContact OG-N 3.21Å; P82-E84 PolarHBondContact O-N 2.98Å; P82-E84 VanDerWaalsContact O-N 3.16Å |
| 85 | Y | 90.3 | Very high | 89.7 | Confident | 107 Ų | 107 | 76.2 Ų | 76.2 | 42% | 0.42 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 147.9 | 178.8 | -64.7 | -90.2 | 0 | 0 | 0 | 111.4 | K41 E42 C74 R75 P76 V83 | K41-Y85 CarbonylContact C-O 3.39Å; K41-Y85 WeakPolarHBondContact CA-O 3.32Å; E42-Y85 PolarHBondContact N-O 2.79Å; C74-Y85 VanDerWaalsContact SG-CB 3.58Å; R75-Y85 CarbonylContact O-C 3.5Å; R75-Y85 WeakPolarHBondContact O-CA 3.4Å; P76-Y85 HydrophobicContact CB-CD1 4.28Å; P76-Y85 HydrophobicContact CB-CE1 4.1Å; V83-Y85 HydrophobicContact CG1-CE1 4.45Å; V83-Y85 HydrophobicContact CG1-CE2 4.07Å |
| 86 | E | 93.8 | Very high | 89.8 | Confident | 30 Ų | 30 | 74.9 Ų | 74.9 | 14% | 0.14 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 145.3 | 166.2 | 61.1 | 173.3 | -175 | 0 | 0 | 111.4 | R39 V40 C74 R75 L77 L88 | R39-E86 VanDerWaalsContact CD-OE2 3.3Å; R39-E86 WeakPolarHBondContact CD-OE2 3.47Å; V40-E86 CarbonylContact O-C 3.57Å; V40-E86 WeakPolarHBondContact O-CA 3.35Å; C74-E86 WeakPolarHBondContact CA-O 3.42Å; R75-E86 HydrophobicContact CB-CG 4.1Å; R75-E86 PolarHBondContact N-O 3.37Å; R75-E86 PolarHBondContact O-N 2.94Å; L77-E86 HydrophobicContact CD2-CB 4.02Å; L77-E86 HydrophobicContact CD2-CG 3.88Å; L77-E86 HydrophobicContact CG-CB 4.35Å; L77-E86 HydrophobicContact CG-CG 4.44Å; E86-L88 HydrophobicContact CG-CD1 4Å |
| 87 | L | 94.4 | Very high | 90 | Very high | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 135.8 | 174.2 | -62.5 | 179.8 | 0 | 0 | 0 | 109.9 | I33 R39 V40 E42 T45 T63 L72 E73 C74 | I33-L87 HydrophobicContact CD1-CB 4.09Å; I33-L87 HydrophobicContact CG1-CB 4.4Å; R39-L87 WeakPolarHBondContact CA-O 3.46Å; V40-L87 PolarHBondContact N-O 2.75Å; V40-L87 VanDerWaalsContact N-O 3.1Å; V40-L87 PolarHBondContact O-N 2.81Å; E42-L87 HydrophobicContact CB-CD1 4.42Å; E42-L87 HydrophobicContact CB-CG 4.12Å; E42-L87 HydrophobicContact CG-CD1 3.9Å; E42-L87 HydrophobicContact CG-CD2 4.15Å; E42-L87 HydrophobicContact CG-CG 3.96Å; T45-L87 HydrophobicContact CG2-CD1 4.09Å; T63-L87 HydrophobicContact CG2-CD2 4.33Å; L72-L87 HydrophobicContact CD1-CD1 4.48Å; E73-L87 WeakPolarHBondContact O-CA 3.37Å; C74-L87 HydrophobicContact CB-CD2 4Å |
| 88 | L | 96.5 | Very high | 90.4 | Very high | 25 Ų | 25 | 71.9 Ų | 71.9 | 13% | 0.131 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 163.6 | 173.8 | -54.5 | 93.8 | 0 | 0 | 0 | 109.9 | R39 L72 E73 R75 E86 G90 | R39-L88 HydrophobicContact CB-CD2 4.15Å; R39-L88 HydrophobicContact CB-CG 4.05Å; L72-L88 WeakPolarHBondContact CA-O 3.47Å; L72-L88 WeakPolarHBondContact CD2-O 3.5Å; E73-L88 HydrophobicContact CB-CB 4.42Å; E73-L88 PolarHBondContact N-O 2.88Å; E73-L88 PolarHBondContact O-N 3.49Å; R75-L88 HydrophobicContact CB-CD1 4.27Å; R75-L88 HydrophobicContact CG-CD1 3.88Å; E86-L88 HydrophobicContact CG-CD1 4Å; L88-G90 PolarHBondContact O-N 3.34Å |
| 89 | W | 97.2 | Very high | 91.1 | Very high | 8 Ų | 8 | 68.4 Ų | 68.4 | 3% | 0.03 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 134.6 | 166.6 | -76.4 | 32.9 | 0 | 0 | 0 | 109.9 | L30 F34 A93 H94 I97 K99 A102 | L30-W89 HydrophobicContact CB-CZ2 3.84Å; L30-W89 HydrophobicContact CD2-CD2 4.14Å; L30-W89 HydrophobicContact CD2-CG 3.92Å; L30-W89 PolarHBondContact O-NE1 3.01Å; F34-W89 HydrophobicContact CB-CZ2 4.25Å; W89-A93 HydrophobicContact CB-CB 4.09Å; W89-A93 HydrophobicContact CD2-CB 4.09Å; W89-A93 HydrophobicContact CE3-CB 3.9Å; W89-A93 HydrophobicContact CG-CB 4.2Å; W89-H94 WeakPolarHBondContact CB-NE2 3.45Å; W89-H94 AromaticContact CE3-ND1 3.9Å; W89-I97 HydrophobicContact CH2-CB 4.31Å; W89-I97 HydrophobicContact CH2-CG2 3.89Å; W89-I97 HydrophobicContact CZ3-CB 4.21Å; W89-I97 HydrophobicContact CZ3-CG2 4.3Å; W89-I97 WeakPolarHBondContact CZ3-O 3.26Å; W89-K99 HydrophobicContact CH2-CG 4.29Å; W89-K99 HydrophobicContact CZ3-CG 4.41Å; W89-A102 HydrophobicContact CH2-CB 3.85Å; W89-A102 HydrophobicContact CZ2-CB 3.69Å |
| 90 | G | 96.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.295 | C | S | . | . | trans | -88.2 | 173 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R70 Y71 L88 R92 A93 H94 | R70-G90 CarbonylContact O-C 3.58Å; R70-G90 VanDerWaalsContact O-C 3.24Å; R70-G90 VanDerWaalsContact O-CA 3.31Å; R70-G90 WeakPolarHBondContact O-CA 3.23Å; Y71-G90 PolarHBondContact O-N 3.21Å; L88-G90 PolarHBondContact O-N 3.34Å; G90-R92 PolarHBondContact O-N 3.15Å; G90-A93 WeakPolarHBondContact O-CB 3.09Å; G90-A93 PolarHBondContact O-N 2.82Å; G90-H94 PolarHBondContact O-CD2 3.47Å; G90-H94 PolarHBondContact O-N 3.13Å; G90-H94 VanDerWaalsContact O-N 3.15Å | ||
| 91 | P | 95.3 | Very high | 93 | Very high | 71 Ų | 71 | 61.4 Ų | 61.4 | 46% | 0.461 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.8 | -33.2 | -173.8 | 24.1 | -34.1 | 0 | 0 | 0 | 112.6 | R70 E73 H94 H95 | R70-P91 HydrophobicContact CB-CG 4.07Å; R70-P91 WeakPolarHBondContact O-CD 3.3Å; E73-P91 WeakPolarHBondContact OE1-CD 3.39Å; P91-H94 PolarHBondContact O-N 3.3Å; P91-H95 PolarHBondContact O-N 3.38Å; P91-H95 VanDerWaalsContact O-N 3.13Å |
| 92 | R | 94.2 | Very high | 93.8 | Very high | 97 Ų | 97 | 53.4 Ų | 53.4 | 37% | 0.366 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -69.6 | -36.4 | 176.3 | -171.4 | -177.9 | 180 | 159.9 | 7.8 | 111.9 | Q69 R70 Y71 G90 H95 E96 | Q69-R92 WeakPolarHBondContact O-CD 3.48Å; R70-R92 HydrophobicContact CB-CB 3.96Å; R70-R92 VanDerWaalsContact O-CB 3.27Å; R70-R92 WeakPolarHBondContact O-CB 3.38Å; R70-R92 PolarHBondContact O-N 3.3Å; Y71-R92 HydrophobicContact CD1-CB 4.46Å; Y71-R92 HydrophobicContact CD1-CG 4.33Å; Y71-R92 HydrophobicContact CE1-CG 3.98Å; Y71-R92 HydrophobicContact CE2-CG 4.43Å; Y71-R92 PolarHBondContact OH-NE 3.34Å; G90-R92 PolarHBondContact O-N 3.15Å; R92-H95 PolarHBondContact O-N 3.29Å; R92-E96 HydrophobicContact CG-CG 4.13Å; R92-E96 WeakPolarHBondContact CG-OE1 3.47Å; R92-E96 IonicContact CZ-OE1 3.82Å; R92-E96 VanDerWaalsContact CZ-OE1 3.23Å; R92-E96 IonicContact NE-OE1 2.96Å; R92-E96 PolarHBondContact NE-OE1 3.1Å; R92-E96 IonicContact NE-OE2 2.7Å; R92-E96 IonicContact NH2-OE1 3.44Å; R92-E96 PolarHBondContact NH2-OE1 3.13Å; R92-E96 IonicContact NH2-OE2 3.21Å; R92-E96 WeakPolarHBondContact O-CB 3.32Å; R92-E96 PolarHBondContact O-N 3.5Å |
| 93 | A | 95.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.2 | -45.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | L30 Y71 W89 G90 H95 I97 | L30-A93 HydrophobicContact CD1-CB 3.85Å; L30-A93 HydrophobicContact CD2-CB 3.87Å; Y71-A93 HydrophobicContact CD1-CB 4.02Å; Y71-A93 WeakPolarHBondContact O-CB 3.42Å; W89-A93 HydrophobicContact CB-CB 4.09Å; W89-A93 HydrophobicContact CD2-CB 4.09Å; W89-A93 HydrophobicContact CE3-CB 3.9Å; W89-A93 HydrophobicContact CG-CB 4.2Å; G90-A93 WeakPolarHBondContact O-CB 3.09Å; G90-A93 PolarHBondContact O-N 2.82Å; A93-H95 VanDerWaalsContact C-N 3.26Å; A93-H95 PolarHBondContact O-N 3.1Å; A93-I97 WeakPolarHBondContact O-CA 3.48Å; A93-I97 WeakPolarHBondContact O-CB 3.31Å; A93-I97 PolarHBondContact O-N 2.88Å; A93-I97 VanDerWaalsContact O-O 3.12Å |
| 94 | H | 94.9 | Very high | 94.9 | Very high | 81 Ų | 81 | 48 Ų | 48 | 38% | 0.375 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59.9 | -37.3 | 175.8 | -74.5 | -64.9 | 0 | 0 | 0 | 112.9 | W89 G90 P91 R131 | W89-H94 WeakPolarHBondContact CB-NE2 3.45Å; W89-H94 AromaticContact CE3-ND1 3.9Å; G90-H94 PolarHBondContact O-CD2 3.47Å; G90-H94 PolarHBondContact O-N 3.13Å; G90-H94 VanDerWaalsContact O-N 3.15Å; P91-H94 PolarHBondContact O-N 3.3Å; H94-R131 PolarHBondContact O-NH1 3.07Å; H94-R131 PolarHBondContact O-NH2 2.92Å |
| 95 | H | 92.8 | Very high | 95.1 | Very high | 159 Ų | 159 | 48 Ų | 48 | 74% | 0.736 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -74 | -49.2 | 178.9 | -172.1 | 65.1 | 0 | 0 | 0 | 113 | P91 R92 A93 | P91-H95 PolarHBondContact O-N 3.38Å; P91-H95 VanDerWaalsContact O-N 3.13Å; R92-H95 PolarHBondContact O-N 3.29Å; A93-H95 VanDerWaalsContact C-N 3.26Å; A93-H95 PolarHBondContact O-N 3.1Å |
| 96 | E | 93.1 | Very high | 95.2 | Very high | 89 Ų | 89 | 43 Ų | 43 | 42% | 0.416 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -88.9 | -19.2 | -170.6 | -64.8 | -169.4 | -159.5 | 0 | 0 | 114.1 | Y71 R92 | Y71-E96 PolarHBondContact OH-OE2 2.92Å; R92-E96 HydrophobicContact CG-CG 4.13Å; R92-E96 WeakPolarHBondContact CG-OE1 3.47Å; R92-E96 IonicContact CZ-OE1 3.82Å; R92-E96 VanDerWaalsContact CZ-OE1 3.23Å; R92-E96 IonicContact NE-OE1 2.96Å; R92-E96 PolarHBondContact NE-OE1 3.1Å; R92-E96 IonicContact NE-OE2 2.7Å; R92-E96 IonicContact NH2-OE1 3.44Å; R92-E96 PolarHBondContact NH2-OE1 3.13Å; R92-E96 IonicContact NH2-OE2 3.21Å; R92-E96 WeakPolarHBondContact O-CB 3.32Å; R92-E96 PolarHBondContact O-N 3.5Å |
| 97 | I | 94.4 | Very high | 95.3 | Very high | 12 Ų | 12 | 41.6 Ų | 41.6 | 6% | 0.062 | 20% | 0.195 | C | C | . | . | trans | -126.5 | 130.9 | -173.5 | -49.3 | -67.3 | 0 | 0 | 0 | 109.8 | M27 L30 W89 A93 A102 R131 | M27-I97 HydrophobicContact SD-CD1 4.24Å; M27-I97 HydrophobicContact SD-CG2 4.42Å; L30-I97 HydrophobicContact CD1-CB 4.43Å; L30-I97 HydrophobicContact CD1-CG1 4.01Å; W89-I97 HydrophobicContact CH2-CB 4.31Å; W89-I97 HydrophobicContact CH2-CG2 3.89Å; W89-I97 HydrophobicContact CZ3-CB 4.21Å; W89-I97 HydrophobicContact CZ3-CG2 4.3Å; W89-I97 WeakPolarHBondContact CZ3-O 3.26Å; A93-I97 WeakPolarHBondContact O-CA 3.48Å; A93-I97 WeakPolarHBondContact O-CB 3.31Å; A93-I97 PolarHBondContact O-N 2.88Å; A93-I97 VanDerWaalsContact O-O 3.12Å; I97-A102 HydrophobicContact CG2-CB 4.48Å; I97-R131 PolarHBondContact O-NH1 3.3Å; I97-R131 PolarHBondContact O-NH2 2.73Å | ||
| 98 | T | 95.6 | Very high | 95.2 | Very high | 40 Ų | 40 | 51 Ų | 51 | 25% | 0.245 | 23% | 0.231 | C | C | . | . | trans | -85.2 | 146.9 | 170.8 | 66.1 | 0 | 0 | 0 | 0 | 109.9 | M100 K101 A102 | T98-M100 PolarHBondContact O-N 3.28Å; T98-K101 PolarHBondContact O-N 3.5Å; T98-K101 VanDerWaalsContact O-N 3.16Å; T98-K101 WeakPolarHBondContact OG1-CB 3.27Å; T98-K101 PolarHBondContact OG1-N 2.98Å; T98-A102 PolarHBondContact O-N 3.05Å; T98-A102 VanDerWaalsContact O-N 3.11Å | ||
| 99 | K | 96.9 | Very high | 94.7 | Very high | 25 Ų | 25 | 54.5 Ų | 54.5 | 11% | 0.109 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.8 | -36.5 | 173.1 | -73.9 | 178.9 | -175.7 | 171.9 | 0 | 111.4 | F34 W89 A102 L103 E123 A124 D127 | F34-K99 HydrophobicContact CD2-CD 4.24Å; F34-K99 HydrophobicContact CD2-CG 4.2Å; F34-K99 HydrophobicContact CE1-CB 4.02Å; F34-K99 HydrophobicContact CE2-CB 4.06Å; F34-K99 HydrophobicContact CE2-CD 3.62Å; F34-K99 HydrophobicContact CE2-CG 3.91Å; F34-K99 HydrophobicContact CZ-CB 3.75Å; F34-K99 HydrophobicContact CZ-CD 4.04Å; F34-K99 HydrophobicContact CZ-CG 4.14Å; W89-K99 HydrophobicContact CH2-CG 4.29Å; W89-K99 HydrophobicContact CZ3-CG 4.41Å; K99-A102 PolarHBondContact O-N 3.45Å; K99-L103 WeakPolarHBondContact O-CB 3.4Å; K99-L103 PolarHBondContact O-N 3.13Å; K99-E123 HydrophobicContact CD-CG 4.24Å; K99-E123 WeakPolarHBondContact CE-OE1 3.34Å; K99-E123 IonicContact NZ-OE1 3.23Å; K99-E123 PolarHBondContact NZ-OE1 3.46Å; K99-A124 HydrophobicContact CB-CB 3.9Å; K99-D127 HydrophobicContact CB-CB 4.45Å; K99-D127 HydrophobicContact CD-CB 3.84Å; K99-D127 HydrophobicContact CG-CB 4.42Å; K99-D127 IonicContact NZ-OD1 2.65Å |
| 100 | M | 97.6 | Very high | 94.4 | Very high | 17 Ų | 17 | 59 Ų | 59 | 8% | 0.084 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.8 | -46.6 | 175.1 | -169.8 | 57.3 | 73 | 0 | 0 | 112 | T98 A102 L103 E104 Y121 A124 V125 | T98-M100 PolarHBondContact O-N 3.28Å; M100-A102 VanDerWaalsContact C-N 3.31Å; M100-A102 PolarHBondContact O-N 3.3Å; M100-L103 WeakPolarHBondContact O-CB 3.48Å; M100-L103 PolarHBondContact O-N 3.31Å; M100-L103 VanDerWaalsContact O-N 3.12Å; M100-E104 HydrophobicContact CG-CG 4.43Å; M100-E104 WeakPolarHBondContact O-CG 2.92Å; M100-E104 PolarHBondContact O-N 2.77Å; M100-E104 HydrophobicContact SD-CG 4.48Å; M100-Y121 HydrophobicContact CE-CD2 3.85Å; M100-Y121 HydrophobicContact CE-CE2 3.61Å; M100-Y121 HydrophobicContact SD-CD2 4.21Å; M100-Y121 HydrophobicContact SD-CE2 4.1Å; M100-A124 HydrophobicContact CB-CB 4.16Å; M100-A124 HydrophobicContact CE-CB 3.72Å; M100-A124 HydrophobicContact SD-CB 4.26Å; M100-V125 HydrophobicContact CE-CG2 3.74Å |
| 101 | K | 95.9 | Very high | 94.3 | Very high | 95 Ų | 95 | 62.5 Ų | 62.5 | 41% | 0.413 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.1 | -38.4 | 177.8 | -175.9 | 176.9 | -178 | 177.8 | 0 | 112.5 | M27 T98 Y105 | M27-K101 HydrophobicContact CE-CG 4.09Å; M27-K101 WeakPolarHBondContact CE-O 3.01Å; T98-K101 PolarHBondContact O-N 3.5Å; T98-K101 VanDerWaalsContact O-N 3.16Å; T98-K101 WeakPolarHBondContact OG1-CB 3.27Å; T98-K101 PolarHBondContact OG1-N 2.98Å; K101-Y105 WeakPolarHBondContact O-CB 3.2Å; K101-Y105 PolarHBondContact O-N 3Å; K101-Y105 VanDerWaalsContact O-N 3.16Å |
| 102 | A | 95.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.6 | -42.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | W89 I97 T98 K99 M100 Y105 M106 | W89-A102 HydrophobicContact CH2-CB 3.85Å; W89-A102 HydrophobicContact CZ2-CB 3.69Å; I97-A102 HydrophobicContact CG2-CB 4.48Å; T98-A102 PolarHBondContact O-N 3.05Å; T98-A102 VanDerWaalsContact O-N 3.11Å; K99-A102 PolarHBondContact O-N 3.45Å; M100-A102 VanDerWaalsContact C-N 3.31Å; M100-A102 PolarHBondContact O-N 3.3Å; A102-Y105 PolarHBondContact O-N 3.13Å; A102-M106 WeakPolarHBondContact O-CG 3.17Å; A102-M106 PolarHBondContact O-N 3.48Å; A102-M106 VanDerWaalsContact O-N 3.15Å |
| 103 | L | 97 | Very high | 94.5 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.6 | -46.6 | 178.3 | -172.7 | 57.1 | 0 | 0 | 0 | 112.5 | F34 L35 K99 M100 Y105 M106 A107 P114 W117 Q120 Y121 A124 | F34-L103 HydrophobicContact CD1-CB 4.3Å; F34-L103 HydrophobicContact CE1-CB 3.98Å; F34-L103 HydrophobicContact CE1-CD1 4.42Å; F34-L103 HydrophobicContact CE1-CD2 4.41Å; F34-L103 HydrophobicContact CE1-CG 4.5Å; L35-L103 HydrophobicContact CD2-CD1 3.74Å; K99-L103 WeakPolarHBondContact O-CB 3.4Å; K99-L103 PolarHBondContact O-N 3.13Å; M100-L103 WeakPolarHBondContact O-CB 3.48Å; M100-L103 PolarHBondContact O-N 3.31Å; M100-L103 VanDerWaalsContact O-N 3.12Å; L103-Y105 VanDerWaalsContact C-N 3.28Å; L103-Y105 PolarHBondContact O-N 3.33Å; L103-M106 PolarHBondContact O-N 3.26Å; L103-A107 WeakPolarHBondContact O-CB 3.41Å; L103-A107 PolarHBondContact O-N 2.91Å; L103-P114 HydrophobicContact CD2-CB 3.83Å; L103-P114 HydrophobicContact CG-CB 3.91Å; L103-W117 HydrophobicContact CD1-CB 4.22Å; L103-W117 HydrophobicContact CD1-CD2 4.35Å; L103-W117 HydrophobicContact CD1-CE3 3.99Å; L103-W117 HydrophobicContact CD1-CG 4.49Å; L103-Q120 HydrophobicContact CD1-CB 4.07Å; L103-Q120 HydrophobicContact CD2-CB 4.3Å; L103-Y121 HydrophobicContact CD2-CD2 4.2Å; L103-A124 HydrophobicContact CD2-CB 4.43Å |
| 104 | E | 96.1 | Very high | 94.6 | Very high | 78 Ų | 78 | 66.6 Ų | 66.6 | 36% | 0.364 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.2 | -40.4 | 176.3 | -74.4 | -177.9 | 173.9 | 0 | 0 | 112.2 | M100 A107 R108 P114 | M100-E104 HydrophobicContact CG-CG 4.43Å; M100-E104 WeakPolarHBondContact O-CG 2.92Å; M100-E104 PolarHBondContact O-N 2.77Å; M100-E104 HydrophobicContact SD-CG 4.48Å; E104-A107 PolarHBondContact O-N 3.16Å; E104-R108 VanDerWaalsContact O-CG 3.3Å; E104-R108 WeakPolarHBondContact O-CG 3.45Å; E104-R108 PolarHBondContact O-N 2.86Å; E104-P114 HydrophobicContact CG-CG 4Å |
| 105 | Y | 92.8 | Very high | 94.7 | Very high | 74 Ų | 74 | 67.2 Ų | 67.2 | 29% | 0.29 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.4 | -48 | 175.8 | -179.7 | -87.9 | 0 | 0 | 0 | 111.1 | M27 P28 K101 A102 L103 A107 R108 F109 | M27-Y105 HydrophobicContact CB-CD1 3.8Å; M27-Y105 HydrophobicContact CB-CD2 3.84Å; M27-Y105 HydrophobicContact CB-CE1 3.8Å; M27-Y105 HydrophobicContact CB-CE2 3.83Å; M27-Y105 HydrophobicContact CB-CG 3.83Å; M27-Y105 HydrophobicContact CE-CD2 4.26Å; M27-Y105 HydrophobicContact CE-CG 3.94Å; M27-Y105 HydrophobicContact CG-CD2 4.25Å; M27-Y105 HydrophobicContact CG-CE2 4.41Å; P28-Y105 HydrophobicContact CB-CE1 4.47Å; P28-Y105 HydrophobicContact CG-CE1 3.8Å; K101-Y105 WeakPolarHBondContact O-CB 3.2Å; K101-Y105 PolarHBondContact O-N 3Å; K101-Y105 VanDerWaalsContact O-N 3.16Å; A102-Y105 PolarHBondContact O-N 3.13Å; L103-Y105 VanDerWaalsContact C-N 3.28Å; L103-Y105 PolarHBondContact O-N 3.33Å; Y105-A107 PolarHBondContact O-N 2.84Å; Y105-R108 PolarHBondContact O-N 3.49Å; Y105-F109 WeakPolarHBondContact O-CB 3.33Å; Y105-F109 PolarHBondContact O-N 3.25Å |
| 106 | M | 92.9 | Very high | 94.9 | Very high | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66 | -39 | 177.9 | -61.3 | -55.3 | -71.5 | 0 | 0 | 111.9 | L35 F52 A102 L103 R108 F109 Y110 | L35-M106 HydrophobicContact CD1-CB 3.83Å; L35-M106 HydrophobicContact CD1-CE 3.82Å; L35-M106 HydrophobicContact CD1-CG 3.93Å; L35-M106 HydrophobicContact CG-CB 4.41Å; L35-M106 HydrophobicContact CG-CG 4.26Å; F52-M106 HydrophobicContact CE1-CE 3.68Å; F52-M106 HydrophobicContact CZ-CE 3.8Å; A102-M106 WeakPolarHBondContact O-CG 3.17Å; A102-M106 PolarHBondContact O-N 3.48Å; A102-M106 VanDerWaalsContact O-N 3.15Å; L103-M106 PolarHBondContact O-N 3.26Å; M106-R108 PolarHBondContact O-N 3.12Å; M106-F109 WeakPolarHBondContact O-CB 3.42Å; M106-F109 PolarHBondContact O-N 3.12Å; M106-Y110 HydrophobicContact CB-CD2 4.45Å; M106-Y110 HydrophobicContact CE-CE2 3.79Å; M106-Y110 WeakPolarHBondContact O-CD2 2.98Å; M106-Y110 PolarHBondContact O-N 2.88Å |
| 107 | A | 95.3 | Very high | 95.1 | Very high | 2 Ų | 2 | 61.7 Ų | 61.7 | 2% | 0.017 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.2 | -48.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L103 E104 Y105 F109 Y110 G111 K112 P114 W117 | L103-A107 WeakPolarHBondContact O-CB 3.41Å; L103-A107 PolarHBondContact O-N 2.91Å; E104-A107 PolarHBondContact O-N 3.16Å; Y105-A107 PolarHBondContact O-N 2.84Å; A107-F109 VanDerWaalsContact C-N 3.33Å; A107-F109 PolarHBondContact O-N 2.79Å; A107-Y110 CarbonylContact O-C 3.55Å; A107-Y110 PolarHBondContact O-N 2.91Å; A107-G111 PolarHBondContact O-N 3.02Å; A107-K112 CarbonylContact C-O 3.59Å; A107-K112 WeakPolarHBondContact CB-O 3.34Å; A107-K112 PolarHBondContact O-N 3.31Å; A107-P114 HydrophobicContact CB-CG 4.05Å; A107-W117 HydrophobicContact CB-CZ3 3.76Å |
| 108 | R | 93 | Very high | 95.2 | Very high | 198 Ų | 198 | 65.6 Ų | 65.6 | 75% | 0.747 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -59.5 | -44.1 | 174.2 | -69.5 | 174.8 | -166.3 | -167.7 | 7 | 111.8 | E104 Y105 M106 Y110 G111 | E104-R108 VanDerWaalsContact O-CG 3.3Å; E104-R108 WeakPolarHBondContact O-CG 3.45Å; E104-R108 PolarHBondContact O-N 2.86Å; Y105-R108 PolarHBondContact O-N 3.49Å; M106-R108 PolarHBondContact O-N 3.12Å; R108-Y110 VanDerWaalsContact C-N 3.29Å; R108-Y110 PolarHBondContact O-N 3.26Å; R108-G111 PolarHBondContact O-N 2.95Å |
| 109 | F | 87.3 | Confident | 95.3 | Very high | 98 Ų | 98 | 70 Ų | 70 | 43% | 0.43 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.5 | -40.2 | 178.6 | -173.9 | -85.2 | 0 | 0 | 0 | 112.3 | F52 Y105 M106 A107 | F52-F109 HydrophobicContact CB-CZ 4.07Å; F52-F109 AromaticContact CD1-CD1 3.5Å; F52-F109 HydrophobicContact CD1-CD1 3.5Å; F52-F109 HydrophobicContact CD1-CD2 4.18Å; F52-F109 AromaticContact CD1-CE1 3.02Å; F52-F109 HydrophobicContact CD1-CE1 3.02Å; F52-F109 AromaticContact CD1-CE2 3.76Å; F52-F109 HydrophobicContact CD1-CE2 3.76Å; F52-F109 HydrophobicContact CD1-CG 4.08Å; F52-F109 AromaticContact CD1-CZ 3.18Å; F52-F109 HydrophobicContact CD1-CZ 3.18Å; F52-F109 AromaticContact CE1-CD1 3.38Å; F52-F109 HydrophobicContact CE1-CD1 3.38Å; F52-F109 AromaticContact CE1-CE1 3.25Å; F52-F109 HydrophobicContact CE1-CE1 3.25Å; F52-F109 HydrophobicContact CE1-CG 4.16Å; F52-F109 AromaticContact CE1-CZ 3.93Å; F52-F109 HydrophobicContact CE1-CZ 3.93Å; F52-F109 HydrophobicContact CG-CE1 4.02Å; F52-F109 AromaticContact CG-CZ 3.91Å; F52-F109 HydrophobicContact CG-CZ 3.91Å; F52-F109 HydrophobicContact CZ-CE1 4.4Å; Y105-F109 WeakPolarHBondContact O-CB 3.33Å; Y105-F109 PolarHBondContact O-N 3.25Å; M106-F109 WeakPolarHBondContact O-CB 3.42Å; M106-F109 PolarHBondContact O-N 3.12Å; A107-F109 VanDerWaalsContact C-N 3.33Å; A107-F109 PolarHBondContact O-N 2.79Å |
| 110 | Y | 90.1 | Very high | 95.4 | Very high | 103 Ų | 103 | 69.9 Ų | 69.9 | 40% | 0.404 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -87.9 | -1 | -180 | -75.3 | -66.1 | 0 | 0 | 0 | 114.8 | L35 F52 M106 A107 R108 K112 W117 | L35-Y110 HydrophobicContact CD1-CE2 4.03Å; F52-Y110 HydrophobicContact CE1-CE2 4.25Å; F52-Y110 AromaticContact CE1-CZ 3.94Å; F52-Y110 HydrophobicContact CZ-CE1 4.49Å; F52-Y110 HydrophobicContact CZ-CE2 4.26Å; F52-Y110 AromaticContact CZ-CZ 3.71Å; F52-Y110 WeakPolarHBondContact CZ-OH 3.36Å; M106-Y110 HydrophobicContact CB-CD2 4.45Å; M106-Y110 HydrophobicContact CE-CE2 3.79Å; M106-Y110 WeakPolarHBondContact O-CD2 2.98Å; M106-Y110 PolarHBondContact O-N 2.88Å; A107-Y110 CarbonylContact O-C 3.55Å; A107-Y110 PolarHBondContact O-N 2.91Å; R108-Y110 VanDerWaalsContact C-N 3.29Å; R108-Y110 PolarHBondContact O-N 3.26Å; Y110-K112 VanDerWaalsContact C-N 3.27Å; Y110-K112 PolarHBondContact O-N 2.66Å; Y110-W117 AromaticContact CD2-CH2 3.75Å; Y110-W117 HydrophobicContact CD2-CH2 3.75Å; Y110-W117 AromaticContact CD2-CZ2 3.76Å; Y110-W117 HydrophobicContact CD2-CZ2 3.76Å; Y110-W117 HydrophobicContact CE2-CZ2 4.29Å; Y110-W117 HydrophobicContact CG-CH2 4.23Å; Y110-W117 HydrophobicContact CG-CZ2 4.34Å |
| 111 | G | 94.3 | Very high | 95.4 | Very high | 73 Ų | 73 | 72.8 Ų | 72.8 | 75% | 0.753 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | 34.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A107 R108 | A107-G111 PolarHBondContact O-N 3.02Å; R108-G111 PolarHBondContact O-N 2.95Å |
| 112 | K | 96.2 | Very high | 95.5 | Very high | 106 Ų | 106 | 74.8 Ų | 74.8 | 46% | 0.461 | 35% | 0.354 | S | S | . | . | trans | -118.4 | 171.8 | -175.7 | -78.4 | -175.6 | 168.2 | -70.3 | 0 | 111.5 | A107 Y110 D116 W117 | A107-K112 CarbonylContact C-O 3.59Å; A107-K112 WeakPolarHBondContact CB-O 3.34Å; A107-K112 PolarHBondContact O-N 3.31Å; Y110-K112 VanDerWaalsContact C-N 3.27Å; Y110-K112 PolarHBondContact O-N 2.66Å; K112-D116 WeakPolarHBondContact CA-OD2 3.3Å; K112-D116 HydrophobicContact CB-CB 4.44Å; K112-D116 VanDerWaalsContact CB-OD2 3.25Å; K112-D116 WeakPolarHBondContact CB-OD2 3.45Å; K112-D116 HydrophobicContact CD-CB 4.4Å; K112-W117 HydrophobicContact CB-CH2 3.65Å; K112-W117 HydrophobicContact CB-CZ3 3.69Å; K112-W117 HydrophobicContact CD-CH2 3.51Å; K112-W117 HydrophobicContact CD-CZ2 3.71Å; K112-W117 HydrophobicContact CD-CZ3 4.15Å; K112-W117 HydrophobicContact CG-CH2 4.17Å | ||
| 113 | Q | 97.2 | Very high | 95.6 | Very high | 125 Ų | 125 | 76.8 Ų | 76.8 | 58% | 0.584 | 36% | 0.363 | S | S | * | . | trans | -98.7 | 149.3 | 168.1 | -62.6 | -169.7 | -5.5 | 0 | 0 | 110.5 | Q115 D116 | Q113-Q115 PolarHBondContact O-N 2.83Å; Q113-Q115 VanDerWaalsContact O-N 3.14Å; Q113-D116 PolarHBondContact N-OD2 3.09Å; Q113-D116 VanDerWaalsContact O-CB 3.24Å; Q113-D116 WeakPolarHBondContact O-CB 3.42Å; Q113-D116 PolarHBondContact O-N 2.89Å | ||
| 114 | P | 96.9 | Very high | 95.7 | Very high | 22 Ų | 22 | 76.9 Ų | 76.9 | 14% | 0.143 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -50.4 | -36.4 | 173.6 | -30.2 | 37.3 | 0 | 0 | 0 | 113.5 | L103 E104 A107 D116 W117 Y121 | L103-P114 HydrophobicContact CD2-CB 3.83Å; L103-P114 HydrophobicContact CG-CB 3.91Å; E104-P114 HydrophobicContact CG-CG 4Å; A107-P114 HydrophobicContact CB-CG 4.05Å; P114-D116 PolarHBondContact O-N 3.36Å; P114-W117 PolarHBondContact O-N 3.2Å; P114-W117 VanDerWaalsContact O-N 3.1Å; P114-Y121 HydrophobicContact CB-CD2 3.81Å; P114-Y121 HydrophobicContact CB-CE2 4.25Å |
| 115 | Q | 97.2 | Very high | 95.7 | Very high | 95 Ų | 95 | 75.1 Ų | 75.1 | 44% | 0.444 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -66.5 | -16.8 | 179.6 | -62 | 85.4 | -14 | 0 | 0 | 113.5 | Q113 W117 Y121 | Q113-Q115 PolarHBondContact O-N 2.83Å; Q113-Q115 VanDerWaalsContact O-N 3.14Å; Q115-W117 PolarHBondContact O-N 3.06Å; Q115-Y121 HydrophobicContact CG-CD1 4.35Å; Q115-Y121 HydrophobicContact CG-CD2 4.32Å; Q115-Y121 HydrophobicContact CG-CE1 4.21Å; Q115-Y121 HydrophobicContact CG-CE2 4.19Å; Q115-Y121 HydrophobicContact CG-CG 4.4Å |
| 116 | D | 97.1 | Very high | 96 | Very high | 82 Ų | 82 | 75.8 Ų | 75.8 | 44% | 0.439 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -67.3 | -11.7 | 172.4 | -65 | -34.6 | 0 | 0 | 0 | 112.3 | K112 Q113 P114 P118 | K112-D116 WeakPolarHBondContact CA-OD2 3.3Å; K112-D116 HydrophobicContact CB-CB 4.44Å; K112-D116 VanDerWaalsContact CB-OD2 3.25Å; K112-D116 WeakPolarHBondContact CB-OD2 3.45Å; K112-D116 HydrophobicContact CD-CB 4.4Å; Q113-D116 PolarHBondContact N-OD2 3.09Å; Q113-D116 VanDerWaalsContact O-CB 3.24Å; Q113-D116 WeakPolarHBondContact O-CB 3.42Å; Q113-D116 PolarHBondContact O-N 2.89Å; P114-D116 PolarHBondContact O-N 3.36Å; D116-P118 WeakPolarHBondContact O-CD 3.32Å |
| 117 | W | 97.4 | Very high | 96.1 | Very high | 49 Ų | 49 | 77.1 Ų | 77.1 | 19% | 0.186 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -117.3 | 78.6 | 170.4 | -66.4 | -81.3 | 0 | 0 | 0 | 109.8 | L35 L103 A107 Y110 K112 P114 Q115 E119 Q120 Y121 | L35-W117 HydrophobicContact CD1-CZ2 4.34Å; L35-W117 HydrophobicContact CD2-CD2 3.96Å; L35-W117 HydrophobicContact CD2-CG 3.9Å; L103-W117 HydrophobicContact CD1-CB 4.22Å; L103-W117 HydrophobicContact CD1-CD2 4.35Å; L103-W117 HydrophobicContact CD1-CE3 3.99Å; L103-W117 HydrophobicContact CD1-CG 4.49Å; A107-W117 HydrophobicContact CB-CZ3 3.76Å; Y110-W117 AromaticContact CD2-CH2 3.75Å; Y110-W117 HydrophobicContact CD2-CH2 3.75Å; Y110-W117 AromaticContact CD2-CZ2 3.76Å; Y110-W117 HydrophobicContact CD2-CZ2 3.76Å; Y110-W117 HydrophobicContact CE2-CZ2 4.29Å; Y110-W117 HydrophobicContact CG-CH2 4.23Å; Y110-W117 HydrophobicContact CG-CZ2 4.34Å; K112-W117 HydrophobicContact CB-CH2 3.65Å; K112-W117 HydrophobicContact CB-CZ3 3.69Å; K112-W117 HydrophobicContact CD-CH2 3.51Å; K112-W117 HydrophobicContact CD-CZ2 3.71Å; K112-W117 HydrophobicContact CD-CZ3 4.15Å; K112-W117 HydrophobicContact CG-CH2 4.17Å; P114-W117 PolarHBondContact O-N 3.2Å; P114-W117 VanDerWaalsContact O-N 3.1Å; Q115-W117 PolarHBondContact O-N 3.06Å; W117-E119 VanDerWaalsContact C-N 3.33Å; W117-E119 PolarHBondContact O-N 2.94Å; W117-Q120 HydrophobicContact CB-CB 4.06Å; W117-Q120 HydrophobicContact CB-CG 4.5Å; W117-Q120 PolarHBondContact O-N 3.48Å; W117-Y121 WeakPolarHBondContact O-CB 3.33Å; W117-Y121 PolarHBondContact O-N 2.73Å |
| 118 | P | 97.1 | Very high | 96.1 | Very high | 94 Ų | 94 | 81.6 Ų | 81.6 | 61% | 0.61 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -62.8 | -36 | -167.9 | 22.9 | -34.1 | 0 | 0 | 0 | 113.5 | D116 R122 | D116-P118 WeakPolarHBondContact O-CD 3.32Å; P118-R122 WeakPolarHBondContact O-CB 3.15Å; P118-R122 PolarHBondContact O-N 3.32Å |
| 119 | E | 97.6 | Very high | 96.2 | Very high | 134 Ų | 134 | 77.4 Ų | 77.4 | 63% | 0.626 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -65.8 | -47.8 | 177.8 | -65.6 | -178.7 | 171.6 | 0 | 0 | 111.4 | W117 R122 E123 | W117-E119 VanDerWaalsContact C-N 3.33Å; W117-E119 PolarHBondContact O-N 2.94Å; E119-R122 PolarHBondContact O-N 3.3Å; E119-E123 WeakPolarHBondContact O-CB 3.33Å; E119-E123 PolarHBondContact O-N 3.23Å |
| 120 | Q | 98.2 | Very high | 96.6 | Very high | 21 Ų | 21 | 74.5 Ų | 74.5 | 10% | 0.098 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -69.1 | -37.5 | 179.3 | -69 | 69 | 30.7 | 0 | 0 | 111.1 | F34 L35 L103 W117 E123 A124 | F34-Q120 HydrophobicContact CD1-CB 4.49Å; F34-Q120 HydrophobicContact CE1-CB 3.79Å; F34-Q120 HydrophobicContact CE1-CG 4.33Å; F34-Q120 HydrophobicContact CZ-CB 3.85Å; F34-Q120 HydrophobicContact CZ-CG 4.33Å; F34-Q120 VanDerWaalsContact CZ-O 3.25Å; F34-Q120 WeakPolarHBondContact CZ-O 3.42Å; L35-Q120 HydrophobicContact CD2-CG 4.23Å; L103-Q120 HydrophobicContact CD1-CB 4.07Å; L103-Q120 HydrophobicContact CD2-CB 4.3Å; W117-Q120 HydrophobicContact CB-CB 4.06Å; W117-Q120 HydrophobicContact CB-CG 4.5Å; W117-Q120 PolarHBondContact O-N 3.48Å; Q120-E123 PolarHBondContact O-N 3.35Å; Q120-A124 VanDerWaalsContact O-CB 3.24Å; Q120-A124 WeakPolarHBondContact O-CB 2.85Å; Q120-A124 PolarHBondContact O-N 2.96Å |
| 121 | Y | 98.2 | Very high | 96.7 | Very high | 79 Ų | 79 | 72 Ų | 72 | 31% | 0.31 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.4 | -48.3 | 175.4 | -176.8 | -104 | 0 | 0 | 0 | 111.3 | M100 L103 P114 Q115 W117 E123 A124 V125 | M100-Y121 HydrophobicContact CE-CD2 3.85Å; M100-Y121 HydrophobicContact CE-CE2 3.61Å; M100-Y121 HydrophobicContact SD-CD2 4.21Å; M100-Y121 HydrophobicContact SD-CE2 4.1Å; L103-Y121 HydrophobicContact CD2-CD2 4.2Å; P114-Y121 HydrophobicContact CB-CD2 3.81Å; P114-Y121 HydrophobicContact CB-CE2 4.25Å; Q115-Y121 HydrophobicContact CG-CD1 4.35Å; Q115-Y121 HydrophobicContact CG-CD2 4.32Å; Q115-Y121 HydrophobicContact CG-CE1 4.21Å; Q115-Y121 HydrophobicContact CG-CE2 4.19Å; Q115-Y121 HydrophobicContact CG-CG 4.4Å; W117-Y121 WeakPolarHBondContact O-CB 3.33Å; W117-Y121 PolarHBondContact O-N 2.73Å; Y121-E123 VanDerWaalsContact C-N 3.35Å; Y121-E123 PolarHBondContact O-N 3.32Å; Y121-A124 PolarHBondContact O-N 3.34Å; Y121-V125 HydrophobicContact CD1-CG2 4.42Å; Y121-V125 HydrophobicContact CE1-CG2 4.04Å; Y121-V125 HydrophobicContact CE2-CG2 4.4Å; Y121-V125 WeakPolarHBondContact O-CG2 3.42Å; Y121-V125 PolarHBondContact O-N 3.43Å |
| 122 | R | 98.3 | Very high | 96.6 | Very high | 137 Ų | 137 | 71.1 Ų | 71.1 | 52% | 0.517 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -57.9 | -47.9 | 175.6 | -176.6 | -176.5 | 61.9 | 79.7 | 5.5 | 111.4 | P118 E119 A124 V125 E126 | P118-R122 WeakPolarHBondContact O-CB 3.15Å; P118-R122 PolarHBondContact O-N 3.32Å; E119-R122 PolarHBondContact O-N 3.3Å; R122-A124 VanDerWaalsContact C-N 3.29Å; R122-A124 PolarHBondContact O-N 2.95Å; R122-V125 PolarHBondContact O-N 2.86Å; R122-E126 WeakPolarHBondContact CG-OE1 3.16Å; R122-E126 IonicContact CZ-OE1 3.71Å; R122-E126 VanDerWaalsContact NH1-CD 3.26Å; R122-E126 IonicContact NH1-OE1 3.14Å; R122-E126 PolarHBondContact NH1-OE1 3.23Å; R122-E126 IonicContact NH1-OE2 3.49Å; R122-E126 PolarHBondContact NH1-OE2 3.35Å; R122-E126 VanDerWaalsContact NH1-OE2 3.14Å; R122-E126 WeakPolarHBondContact O-CG 3.38Å; R122-E126 PolarHBondContact O-N 2.87Å |
| 123 | E | 98 | Very high | 96.4 | Very high | 42 Ų | 42 | 73.8 Ų | 73.8 | 20% | 0.196 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.3 | -37.2 | 178.7 | -168.9 | -174.1 | 149.6 | 0 | 0 | 112.3 | F34 N38 K99 E119 Q120 Y121 D127 | F34-E123 HydrophobicContact CE2-CB 4.42Å; F34-E123 HydrophobicContact CE2-CG 4.32Å; F34-E123 HydrophobicContact CZ-CB 4.37Å; N38-E123 VanDerWaalsContact ND2-CD 3.28Å; N38-E123 PolarHBondContact ND2-OE1 3.17Å; N38-E123 PolarHBondContact ND2-OE2 2.97Å; N38-E123 PolarHBondContact OD1-OE1 3.49Å; K99-E123 HydrophobicContact CD-CG 4.24Å; K99-E123 WeakPolarHBondContact CE-OE1 3.34Å; K99-E123 IonicContact NZ-OE1 3.23Å; K99-E123 PolarHBondContact NZ-OE1 3.46Å; E119-E123 WeakPolarHBondContact O-CB 3.33Å; E119-E123 PolarHBondContact O-N 3.23Å; Q120-E123 PolarHBondContact O-N 3.35Å; Y121-E123 VanDerWaalsContact C-N 3.35Å; Y121-E123 PolarHBondContact O-N 3.32Å; E123-D127 WeakPolarHBondContact O-CB 3.22Å; E123-D127 PolarHBondContact O-N 2.9Å |
| 124 | A | 97.8 | Very high | 96.1 | Very high | 1 Ų | 1 | 71.7 Ų | 71.7 | 1% | 0.008 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.1 | -38.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | F34 K99 M100 L103 Q120 Y121 R122 E128 | F34-A124 HydrophobicContact CE1-CB 4.34Å; F34-A124 HydrophobicContact CZ-CB 4.17Å; K99-A124 HydrophobicContact CB-CB 3.9Å; M100-A124 HydrophobicContact CB-CB 4.16Å; M100-A124 HydrophobicContact CE-CB 3.72Å; M100-A124 HydrophobicContact SD-CB 4.26Å; L103-A124 HydrophobicContact CD2-CB 4.43Å; Q120-A124 VanDerWaalsContact O-CB 3.24Å; Q120-A124 WeakPolarHBondContact O-CB 2.85Å; Q120-A124 PolarHBondContact O-N 2.96Å; Y121-A124 PolarHBondContact O-N 3.34Å; R122-A124 VanDerWaalsContact C-N 3.29Å; R122-A124 PolarHBondContact O-N 2.95Å; A124-E128 PolarHBondContact O-N 3.24Å; A124-E128 VanDerWaalsContact O-N 3.17Å |
| 125 | V | 98 | Very high | 95.7 | Very high | 42 Ų | 42 | 76.5 Ų | 76.5 | 26% | 0.255 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -66 | -46.6 | 174.4 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | M100 Y121 R122 D127 E128 E129 | M100-V125 HydrophobicContact CE-CG2 3.74Å; Y121-V125 HydrophobicContact CD1-CG2 4.42Å; Y121-V125 HydrophobicContact CE1-CG2 4.04Å; Y121-V125 HydrophobicContact CE2-CG2 4.4Å; Y121-V125 WeakPolarHBondContact O-CG2 3.42Å; Y121-V125 PolarHBondContact O-N 3.43Å; R122-V125 PolarHBondContact O-N 2.86Å; V125-D127 VanDerWaalsContact C-N 3.28Å; V125-D127 PolarHBondContact O-N 3.22Å; V125-E128 PolarHBondContact O-N 2.96Å; V125-E128 VanDerWaalsContact O-N 3.14Å; V125-E129 HydrophobicContact CG1-CG 4.45Å; V125-E129 WeakPolarHBondContact O-CG 3.49Å; V125-E129 PolarHBondContact O-N 3.25Å |
| 126 | E | 97.3 | Very high | 95.2 | Very high | 88 Ų | 88 | 74.5 Ų | 74.5 | 41% | 0.411 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.5 | -38.5 | 177.7 | -73.4 | 170.9 | -175.5 | 0 | 0 | 112.3 | R122 A130 | R122-E126 WeakPolarHBondContact CG-OE1 3.16Å; R122-E126 IonicContact CZ-OE1 3.71Å; R122-E126 VanDerWaalsContact NH1-CD 3.26Å; R122-E126 IonicContact NH1-OE1 3.14Å; R122-E126 PolarHBondContact NH1-OE1 3.23Å; R122-E126 IonicContact NH1-OE2 3.49Å; R122-E126 PolarHBondContact NH1-OE2 3.35Å; R122-E126 VanDerWaalsContact NH1-OE2 3.14Å; R122-E126 WeakPolarHBondContact O-CG 3.38Å; R122-E126 PolarHBondContact O-N 2.87Å; E126-A130 VanDerWaalsContact O-CB 3.3Å; E126-A130 WeakPolarHBondContact O-CB 3.44Å; E126-A130 PolarHBondContact O-N 2.94Å |
| 127 | D | 95.5 | Very high | 94.9 | Very high | 29 Ų | 29 | 74 Ų | 74 | 16% | 0.155 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.5 | -41.1 | 175.7 | -173.3 | 80.9 | 0 | 0 | 0 | 112 | K99 E123 V125 A130 R131 | K99-D127 HydrophobicContact CB-CB 4.45Å; K99-D127 HydrophobicContact CD-CB 3.84Å; K99-D127 HydrophobicContact CG-CB 4.42Å; K99-D127 IonicContact NZ-OD1 2.65Å; E123-D127 WeakPolarHBondContact O-CB 3.22Å; E123-D127 PolarHBondContact O-N 2.9Å; V125-D127 VanDerWaalsContact C-N 3.28Å; V125-D127 PolarHBondContact O-N 3.22Å; D127-A130 PolarHBondContact O-N 2.71Å; D127-R131 VanDerWaalsContact O-CG 3.25Å; D127-R131 WeakPolarHBondContact O-CG 3.43Å; D127-R131 PolarHBondContact O-N 3.3Å; D127-R131 IonicContact OD1-NE 3.98Å; D127-R131 IonicContact OD1-NH2 3.72Å; D127-R131 IonicContact OD2-CZ 2.66Å; D127-R131 IonicContact OD2-NE 3.69Å; D127-R131 PolarHBondContact OD2-NE 3.36Å; D127-R131 IonicContact OD2-NH2 2.95Å; D127-R131 PolarHBondContact OD2-NH2 2.91Å |
| 128 | E | 95.4 | Very high | 94.3 | Very high | 95 Ų | 95 | 73.7 Ų | 73.7 | 44% | 0.444 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -69.8 | -42.5 | 178.6 | -165.7 | 160.5 | -143.4 | 0 | 0 | 111.9 | A124 V125 A130 R131 A132 | A124-E128 PolarHBondContact O-N 3.24Å; A124-E128 VanDerWaalsContact O-N 3.17Å; V125-E128 PolarHBondContact O-N 2.96Å; V125-E128 VanDerWaalsContact O-N 3.14Å; E128-A130 VanDerWaalsContact C-N 3.34Å; E128-A130 PolarHBondContact O-N 3.16Å; E128-R131 PolarHBondContact O-N 3.44Å; E128-A132 WeakPolarHBondContact O-CB 3.49Å; E128-A132 PolarHBondContact O-N 2.57Å |
| 129 | E | 95.6 | Very high | 93.7 | Very high | 110 Ų | 110 | 75.5 Ų | 75.5 | 51% | 0.514 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.7 | -38.8 | 173 | -70.7 | 179.5 | 178.5 | 0 | 0 | 112.5 | V125 R133 | V125-E129 HydrophobicContact CG1-CG 4.45Å; V125-E129 WeakPolarHBondContact O-CG 3.49Å; V125-E129 PolarHBondContact O-N 3.25Å; E129-R133 WeakPolarHBondContact O-CB 3.18Å; E129-R133 VanDerWaalsContact O-CG 3.31Å; E129-R133 WeakPolarHBondContact O-CG 3.36Å; E129-R133 PolarHBondContact O-N 3.23Å; E129-R133 PolarHBondContact O-NE 3.45Å |
| 130 | A | 94.8 | Very high | 93 | Very high | 37 Ų | 37 | 77 Ų | 77 | 31% | 0.306 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.7 | -45.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | E126 D127 E128 R133 S134 | E126-A130 VanDerWaalsContact O-CB 3.3Å; E126-A130 WeakPolarHBondContact O-CB 3.44Å; E126-A130 PolarHBondContact O-N 2.94Å; D127-A130 PolarHBondContact O-N 2.71Å; E128-A130 VanDerWaalsContact C-N 3.34Å; E128-A130 PolarHBondContact O-N 3.16Å; A130-R133 PolarHBondContact O-N 3.05Å; A130-S134 PolarHBondContact O-N 2.96Å; A130-S134 PolarHBondContact O-OG 3.02Å |
| 131 | R | 92.1 | Very high | 92 | Very high | 51 Ų | 51 | 83 Ų | 83 | 19% | 0.192 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -59.9 | -49.2 | 176 | -71.7 | 172.5 | -163.2 | -134.5 | 2.9 | 111.6 | H94 I97 D127 E128 R133 S134 E135 | H94-R131 PolarHBondContact O-NH1 3.07Å; H94-R131 PolarHBondContact O-NH2 2.92Å; I97-R131 PolarHBondContact O-NH1 3.3Å; I97-R131 PolarHBondContact O-NH2 2.73Å; D127-R131 VanDerWaalsContact O-CG 3.25Å; D127-R131 WeakPolarHBondContact O-CG 3.43Å; D127-R131 PolarHBondContact O-N 3.3Å; D127-R131 IonicContact OD1-NE 3.98Å; D127-R131 IonicContact OD1-NH2 3.72Å; D127-R131 IonicContact OD2-CZ 2.66Å; D127-R131 IonicContact OD2-NE 3.69Å; D127-R131 PolarHBondContact OD2-NE 3.36Å; D127-R131 IonicContact OD2-NH2 2.95Å; D127-R131 PolarHBondContact OD2-NH2 2.91Å; E128-R131 PolarHBondContact O-N 3.44Å; R131-R133 VanDerWaalsContact C-N 3.3Å; R131-R133 PolarHBondContact O-N 3.17Å; R131-S134 WeakPolarHBondContact O-CB 3.43Å; R131-S134 PolarHBondContact O-N 2.89Å; R131-S134 VanDerWaalsContact O-N 3.09Å; R131-E135 WeakPolarHBondContact O-CG 3.49Å; R131-E135 PolarHBondContact O-N 3.21Å |
| 132 | A | 92.4 | Very high | 90.9 | Very high | 55 Ų | 55 | 87.3 Ų | 87.3 | 46% | 0.455 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -59.3 | -40.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E128 E135 A136 | E128-A132 WeakPolarHBondContact O-CB 3.49Å; E128-A132 PolarHBondContact O-N 2.57Å; A132-E135 PolarHBondContact O-N 3.39Å; A132-A136 WeakPolarHBondContact O-CB 3.32Å; A132-A136 PolarHBondContact O-N 2.78Å |
| 133 | R | 92.8 | Very high | 89 | Confident | 162 Ų | 162 | 83.1 Ų | 83.1 | 61% | 0.611 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -64 | -43.1 | 173.9 | -77.1 | -176.6 | -68 | 170.7 | -3.5 | 112.3 | E129 A130 R131 A136 T137 | E129-R133 WeakPolarHBondContact O-CB 3.18Å; E129-R133 VanDerWaalsContact O-CG 3.31Å; E129-R133 WeakPolarHBondContact O-CG 3.36Å; E129-R133 PolarHBondContact O-N 3.23Å; E129-R133 PolarHBondContact O-NE 3.45Å; A130-R133 PolarHBondContact O-N 3.05Å; R131-R133 VanDerWaalsContact C-N 3.3Å; R131-R133 PolarHBondContact O-N 3.17Å; R133-A136 PolarHBondContact O-N 3.2Å; R133-T137 VanDerWaalsContact O-CB 3.31Å; R133-T137 WeakPolarHBondContact O-CB 3.46Å; R133-T137 PolarHBondContact O-N 3.07Å; R133-T137 PolarHBondContact O-OG1 2.93Å |
| 134 | S | 89.8 | Confident | 87.3 | Confident | 81 Ų | 81 | 87 Ų | 87 | 57% | 0.566 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -63.7 | -41.4 | 176.6 | -66.9 | 0 | 0 | 0 | 0 | 112 | A130 R131 T137 A138 | A130-S134 PolarHBondContact O-N 2.96Å; A130-S134 PolarHBondContact O-OG 3.02Å; R131-S134 WeakPolarHBondContact O-CB 3.43Å; R131-S134 PolarHBondContact O-N 2.89Å; R131-S134 VanDerWaalsContact O-N 3.09Å; S134-T137 WeakPolarHBondContact O-CB 3.19Å; S134-T137 PolarHBondContact O-N 2.93Å; S134-A138 WeakPolarHBondContact O-CB 3.47Å; S134-A138 PolarHBondContact O-N 2.93Å |
| 135 | E | 88.4 | Confident | 85 | Confident | 122 Ų | 122 | 98.3 Ų | 98.3 | 57% | 0.57 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.9 | -45.6 | 176.2 | -72.5 | 172.4 | -172.3 | 0 | 0 | 111.9 | R131 A132 T137 A138 M139 | R131-E135 WeakPolarHBondContact O-CG 3.49Å; R131-E135 PolarHBondContact O-N 3.21Å; A132-E135 PolarHBondContact O-N 3.39Å; E135-T137 VanDerWaalsContact C-N 3.31Å; E135-T137 PolarHBondContact O-N 2.77Å; E135-A138 PolarHBondContact O-N 3.45Å; E135-M139 HydrophobicContact CB-CE 4.38Å; E135-M139 WeakPolarHBondContact O-CG 3.29Å; E135-M139 PolarHBondContact O-N 3.49Å |
| 136 | A | 88.3 | Confident | 84.3 | Confident | 54 Ų | 54 | 101.2 Ų | 101.2 | 45% | 0.446 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.4 | -41.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | A132 R133 M139 F140 | A132-A136 WeakPolarHBondContact O-CB 3.32Å; A132-A136 PolarHBondContact O-N 2.78Å; R133-A136 PolarHBondContact O-N 3.2Å; A136-M139 PolarHBondContact O-N 2.88Å; A136-F140 WeakPolarHBondContact O-CB 3.33Å; A136-F140 PolarHBondContact O-N 3.47Å |
| 137 | T | 89.8 | Confident | 83.7 | Confident | 72 Ų | 72 | 101.8 Ų | 101.8 | 44% | 0.442 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 175.2 | -58.7 | 0 | 0 | 0 | 0 | 110.9 | R133 S134 E135 F140 F141 | R133-T137 VanDerWaalsContact O-CB 3.31Å; R133-T137 WeakPolarHBondContact O-CB 3.46Å; R133-T137 PolarHBondContact O-N 3.07Å; R133-T137 PolarHBondContact O-OG1 2.93Å; S134-T137 WeakPolarHBondContact O-CB 3.19Å; S134-T137 PolarHBondContact O-N 2.93Å; E135-T137 VanDerWaalsContact C-N 3.31Å; E135-T137 PolarHBondContact O-N 2.77Å; T137-F140 WeakPolarHBondContact O-CB 3.27Å; T137-F140 PolarHBondContact O-N 3.12Å; T137-F141 HydrophobicContact CG2-CD2 3.56Å; T137-F141 HydrophobicContact CG2-CE2 3.6Å; T137-F141 VanDerWaalsContact O-CD2 3.24Å; T137-F141 WeakPolarHBondContact O-CD2 3.45Å; T137-F141 PolarHBondContact O-N 3.24Å |
| 138 | A | 86.1 | Confident | 83 | Confident | 42 Ų | 42 | 105.9 Ų | 105.9 | 35% | 0.347 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.1 | -43 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S134 E135 F140 F141 F142 | S134-A138 WeakPolarHBondContact O-CB 3.47Å; S134-A138 PolarHBondContact O-N 2.93Å; E135-A138 PolarHBondContact O-N 3.45Å; A138-F140 VanDerWaalsContact C-N 3.27Å; A138-F140 PolarHBondContact O-N 3.46Å; A138-F141 PolarHBondContact O-N 2.98Å; A138-F142 HydrophobicContact CB-CD2 4.23Å; A138-F142 WeakPolarHBondContact O-CB 3.44Å; A138-F142 WeakPolarHBondContact O-CD2 3.44Å; A138-F142 PolarHBondContact O-N 3.16Å |
| 139 | M | 84.3 | Confident | 82.3 | Confident | 131 Ų | 131 | 106.5 Ų | 106.5 | 65% | 0.645 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62 | -34.6 | 174.6 | -76.1 | -172.4 | -87.1 | 0 | 0 | 112.6 | E135 A136 G143 | E135-M139 HydrophobicContact CB-CE 4.38Å; E135-M139 WeakPolarHBondContact O-CG 3.29Å; E135-M139 PolarHBondContact O-N 3.49Å; A136-M139 PolarHBondContact O-N 2.88Å; M139-G143 WeakPolarHBondContact O-CA 3.31Å; M139-G143 PolarHBondContact O-N 3.38Å |
| 140 | F | 82.5 | Confident | 81.4 | Confident | 166 Ų | 166 | 106.3 Ų | 106.3 | 73% | 0.728 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -70.9 | -42.8 | 177 | -176.6 | -95.4 | 0 | 0 | 0 | 112.8 | A136 T137 A138 | A136-F140 WeakPolarHBondContact O-CB 3.33Å; A136-F140 PolarHBondContact O-N 3.47Å; T137-F140 WeakPolarHBondContact O-CB 3.27Å; T137-F140 PolarHBondContact O-N 3.12Å; A138-F140 VanDerWaalsContact C-N 3.27Å; A138-F140 PolarHBondContact O-N 3.46Å |
| 141 | F | 76.1 | Confident | 80.5 | Confident | 148 Ų | 148 | 110.9 Ų | 110.9 | 65% | 0.649 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -87.2 | -28.5 | -175.8 | -75.8 | -68.1 | 0 | 0 | 0 | 114.6 | T137 A138 | T137-F141 HydrophobicContact CG2-CD2 3.56Å; T137-F141 HydrophobicContact CG2-CE2 3.6Å; T137-F141 VanDerWaalsContact O-CD2 3.24Å; T137-F141 WeakPolarHBondContact O-CD2 3.45Å; T137-F141 PolarHBondContact O-N 3.24Å; A138-F141 PolarHBondContact O-N 2.98Å |
| 142 | F | 75.9 | Confident | 79.7 | Confident | 169 Ų | 169 | 115.2 Ų | 115.2 | 74% | 0.741 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -111.2 | 24.4 | -177.8 | -57.8 | -70.2 | 0 | 0 | 0 | 112.7 | A138 S144 | A138-F142 HydrophobicContact CB-CD2 4.23Å; A138-F142 WeakPolarHBondContact O-CB 3.44Å; A138-F142 WeakPolarHBondContact O-CD2 3.44Å; A138-F142 PolarHBondContact O-N 3.16Å; F142-S144 PolarHBondContact O-N 2.85Å |
| 143 | G | 58.3 | Low | 78.7 | Confident | 49 Ų | 49 | 119.8 Ų | 119.8 | 51% | 0.505 | 64% | 0.641 | S | S | . | * | trans | -40.1 | 121.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | M139 | M139-G143 WeakPolarHBondContact O-CA 3.31Å; M139-G143 PolarHBondContact O-N 3.38Å | ||
| 144 | S | 61.4 | Low | 77.6 | Confident | 122 Ų | 122 | 116.3 Ų | 116.3 | 85% | 0.853 | 64% | 0.644 | S | S | * | * | trans | 18.8 | 97.2 | 164.6 | -58.2 | 0 | 0 | 0 | 0 | 116.9 | F142 | F142-S144 PolarHBondContact O-N 2.85Š| ||
| 145 | I | 50.1 | Low | 76.5 | Confident | 240 Ų | 240 | 119.5 Ų | 119.5 | 100% | 1.231 | 65% | 0.651 | S | S | * | * | trans | -75.2 | 0 | 148.6 | -33.8 | 172.8 | 0 | 0 | 0 | 108.2 |
Retrieved 145 of 145 residues in 408.1 ms
(Link to these results)