| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 53.9 | Low | 68.6 | Low | 226 Ų | 226 | 89.9 Ų | 89.9 | 100% | 1.113 | 53% | 0.53 | S | S | * | . | 0 | -46.5 | 0 | -84.7 | -169.2 | -86.7 | 0 | 0 | 112.8 | A3 G4 F5 | M1-A3 PolarHBondContact O-N 3.16Å; M1-G4 PolarHBondContact O-N 3.25Å; M1-F5 PolarHBondContact O-N 3.22Å | |||
| 2 | A | 59.9 | Low | 69.5 | Low | 59 Ų | 59 | 88.8 Ų | 88.8 | 49% | 0.488 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.1 | -43.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | G4 F5 K6 Y13 | A2-G4 VanDerWaalsContact C-N 3.32Å; A2-G4 PolarHBondContact O-N 3.5Å; A2-F5 PolarHBondContact O-N 2.79Å; A2-K6 PolarHBondContact O-N 3.31Å; A2-Y13 HydrophobicContact CB-CE2 4.36Å |
| 3 | A | 62.2 | Low | 70.6 | Confident | 78 Ų | 78 | 84.6 Ų | 84.6 | 65% | 0.645 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.1 | -32.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | M1 T7 | M1-A3 PolarHBondContact O-N 3.16Å; A3-T7 PolarHBondContact O-N 2.98Å; A3-T7 PolarHBondContact O-OG1 3.43Å |
| 4 | G | 63.3 | Low | 71.3 | Confident | 40 Ų | 40 | 79.1 Ų | 79.1 | 41% | 0.412 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -73.2 | -33.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | M1 A2 T7 V8 | M1-G4 PolarHBondContact O-N 3.25Å; A2-G4 VanDerWaalsContact C-N 3.32Å; A2-G4 PolarHBondContact O-N 3.5Å; G4-T7 WeakPolarHBondContact CA-OG1 3.34Å; G4-T7 PolarHBondContact O-N 3.31Å; G4-T7 PolarHBondContact O-OG1 2.97Å; G4-V8 VanDerWaalsContact O-CG2 3.26Å; G4-V8 WeakPolarHBondContact O-CG2 3.29Å; G4-V8 PolarHBondContact O-N 3.13Å; G4-V8 VanDerWaalsContact O-N 3.13Å |
| 5 | F | 63.9 | Low | 72 | Confident | 70 Ų | 70 | 80.5 Ų | 80.5 | 31% | 0.307 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -70.7 | -37.3 | 174.5 | -163.6 | -95 | 0 | 0 | 0 | 111.5 | M1 A2 T7 V8 E9 E12 Y13 | M1-F5 PolarHBondContact O-N 3.22Å; A2-F5 PolarHBondContact O-N 2.79Å; F5-T7 VanDerWaalsContact C-N 3.26Å; F5-T7 PolarHBondContact O-N 3.01Å; F5-V8 PolarHBondContact O-N 3.25Å; F5-E9 CarbonylContact O-C 3.52Å; F5-E9 PolarHBondContact O-N 3.4Å; F5-E12 HydrophobicContact CE1-CB 4.05Å; F5-E12 HydrophobicContact CZ-CB 4.16Å; F5-Y13 AromaticContact CD1-CD2 3.94Å; F5-Y13 HydrophobicContact CD1-CD2 3.94Å; F5-Y13 HydrophobicContact CD1-CG 4.44Å |
| 6 | K | 68.5 | Low | 72.7 | Confident | 65 Ų | 65 | 84.2 Ų | 84.2 | 28% | 0.283 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -58 | -37 | 173 | -174.6 | -178.6 | 178.8 | -175.2 | 0 | 112.5 | A2 P10 Y13 E213 | A2-K6 PolarHBondContact O-N 3.31Å; K6-P10 WeakPolarHBondContact O-CA 3.39Å; K6-P10 WeakPolarHBondContact O-CB 3.41Å; K6-Y13 HydrophobicContact CB-CD1 4.2Å; K6-Y13 HydrophobicContact CB-CD2 4.36Å; K6-Y13 HydrophobicContact CB-CE1 4.32Å; K6-Y13 HydrophobicContact CB-CE2 4.43Å; K6-Y13 HydrophobicContact CB-CG 4.22Å; K6-Y13 HydrophobicContact CD-CE1 4.28Å; K6-Y13 HydrophobicContact CG-CD1 4.08Å; K6-Y13 HydrophobicContact CG-CE1 4.22Å; K6-E213 WeakPolarHBondContact CE-OE1 3.46Å; K6-E213 WeakPolarHBondContact CE-OE2 3.45Å; K6-E213 IonicContact NZ-OE1 2.77Å; K6-E213 PolarHBondContact NZ-OE1 3.14Å; K6-E213 IonicContact NZ-OE2 3.09Å; K6-E213 PolarHBondContact NZ-OE2 2.74Å |
| 7 | T | 70.7 | Confident | 73.3 | Confident | 115 Ų | 115 | 82.6 Ų | 82.6 | 71% | 0.706 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -81.5 | -34.9 | -178.3 | 14.3 | 0 | 0 | 0 | 0 | 113.2 | A3 G4 F5 | A3-T7 PolarHBondContact O-N 2.98Å; A3-T7 PolarHBondContact O-OG1 3.43Å; G4-T7 WeakPolarHBondContact CA-OG1 3.34Å; G4-T7 PolarHBondContact O-N 3.31Å; G4-T7 PolarHBondContact O-OG1 2.97Å; F5-T7 VanDerWaalsContact C-N 3.26Å; F5-T7 PolarHBondContact O-N 3.01Å |
| 8 | V | 74.2 | Confident | 73.7 | Confident | 128 Ų | 128 | 78.2 Ų | 78.2 | 78% | 0.776 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -83.1 | -38.9 | -176.7 | 178.2 | 0 | 0 | 0 | 0 | 111.8 | G4 F5 | G4-V8 VanDerWaalsContact O-CG2 3.26Å; G4-V8 WeakPolarHBondContact O-CG2 3.29Å; G4-V8 PolarHBondContact O-N 3.13Å; G4-V8 VanDerWaalsContact O-N 3.13Å; F5-V8 PolarHBondContact O-N 3.25Å |
| 9 | E | 79.6 | Confident | 74.2 | Confident | 82 Ų | 82 | 82.9 Ų | 82.9 | 38% | 0.383 | 43% | 0.434 | S | S | . | . | trans | -142.8 | 75.5 | -179.5 | -158.9 | 171.8 | 72.7 | 0 | 0 | 111.4 | F5 L11 E12 Y13 | F5-E9 CarbonylContact O-C 3.52Å; F5-E9 PolarHBondContact O-N 3.4Å; E9-L11 VanDerWaalsContact C-N 3.28Å; E9-L11 PolarHBondContact O-N 3.16Å; E9-E12 HydrophobicContact CG-CB 3.98Å; E9-E12 HydrophobicContact CG-CG 4.1Å; E9-E12 PolarHBondContact O-N 3.18Å; E9-E12 WeakPolarHBondContact OE1-CB 3.43Å; E9-E12 WeakPolarHBondContact OE1-CG 3.5Å; E9-Y13 PolarHBondContact O-N 2.98Å | ||
| 10 | P | 79.4 | Confident | 74.6 | Confident | 44 Ų | 44 | 86.3 Ų | 86.3 | 29% | 0.286 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.4 | -35.4 | -175.3 | 22.4 | -32.4 | 0 | 0 | 0 | 112.4 | K6 Y13 Y14 L217 | K6-P10 WeakPolarHBondContact O-CA 3.39Å; K6-P10 WeakPolarHBondContact O-CB 3.41Å; P10-Y13 PolarHBondContact O-N 3.35Å; P10-Y14 WeakPolarHBondContact O-CD2 3.5Å; P10-Y14 PolarHBondContact O-N 2.95Å; P10-L217 HydrophobicContact CB-CD1 4.11Å; P10-L217 HydrophobicContact CB-CD2 4.12Å; P10-L217 HydrophobicContact CG-CD2 4.11Å |
| 11 | L | 79.4 | Confident | 74.8 | Confident | 82 Ų | 82 | 86.7 Ų | 86.7 | 43% | 0.429 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.2 | -48.1 | -179.2 | -72.1 | 168.8 | 0 | 0 | 0 | 112.5 | E9 Y13 R15 L217 | E9-L11 VanDerWaalsContact C-N 3.28Å; E9-L11 PolarHBondContact O-N 3.16Å; L11-Y13 VanDerWaalsContact C-N 3.34Å; L11-R15 WeakPolarHBondContact O-CB 3.1Å; L11-R15 VanDerWaalsContact O-CG 3.26Å; L11-R15 WeakPolarHBondContact O-CG 3.39Å; L11-R15 PolarHBondContact O-N 3.15Å; L11-L217 HydrophobicContact CD2-CB 3.86Å; L11-L217 HydrophobicContact CD2-CD2 3.47Å; L11-L217 VanDerWaalsContact CD2-CD2 3.47Å; L11-L217 HydrophobicContact CD2-CG 4.2Å; L11-L217 HydrophobicContact CG-CD2 3.75Å |
| 12 | E | 79.6 | Confident | 76.1 | Confident | 77 Ų | 77 | 77.8 Ų | 77.8 | 36% | 0.36 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -67.7 | -37.4 | 177.4 | -83.5 | -152.4 | 178.5 | 0 | 0 | 112.2 | F5 E9 R15 R16 | F5-E12 HydrophobicContact CE1-CB 4.05Å; F5-E12 HydrophobicContact CZ-CB 4.16Å; E9-E12 HydrophobicContact CG-CB 3.98Å; E9-E12 HydrophobicContact CG-CG 4.1Å; E9-E12 PolarHBondContact O-N 3.18Å; E9-E12 WeakPolarHBondContact OE1-CB 3.43Å; E9-E12 WeakPolarHBondContact OE1-CG 3.5Å; E12-R15 PolarHBondContact O-N 3.35Å; E12-R16 WeakPolarHBondContact O-CG 3.35Å; E12-R16 PolarHBondContact O-N 2.86Å; E12-R16 IonicContact OE2-CZ 3.2Å; E12-R16 IonicContact OE2-NH2 3.07Å; E12-R16 PolarHBondContact OE2-NH2 2.82Å; E12-R16 VanDerWaalsContact OE2-NH2 3.09Å |
| 13 | Y | 82.8 | Confident | 77.1 | Confident | 34 Ų | 34 | 75.2 Ų | 75.2 | 13% | 0.133 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -56.8 | -57.4 | 175.7 | -176.8 | -97.1 | 0 | 0 | 0 | 110 | A2 F5 K6 E9 P10 L11 R15 R16 F17 P24 | A2-Y13 HydrophobicContact CB-CE2 4.36Å; F5-Y13 AromaticContact CD1-CD2 3.94Å; F5-Y13 HydrophobicContact CD1-CD2 3.94Å; F5-Y13 HydrophobicContact CD1-CG 4.44Å; K6-Y13 HydrophobicContact CB-CD1 4.2Å; K6-Y13 HydrophobicContact CB-CD2 4.36Å; K6-Y13 HydrophobicContact CB-CE1 4.32Å; K6-Y13 HydrophobicContact CB-CE2 4.43Å; K6-Y13 HydrophobicContact CB-CG 4.22Å; K6-Y13 HydrophobicContact CD-CE1 4.28Å; K6-Y13 HydrophobicContact CG-CD1 4.08Å; K6-Y13 HydrophobicContact CG-CE1 4.22Å; E9-Y13 PolarHBondContact O-N 2.98Å; P10-Y13 PolarHBondContact O-N 3.35Å; L11-Y13 VanDerWaalsContact C-N 3.34Å; Y13-R15 VanDerWaalsContact C-N 3.34Å; Y13-R15 PolarHBondContact O-N 3.08Å; Y13-R16 PolarHBondContact O-N 3.37Å; Y13-R16 VanDerWaalsContact O-N 3.12Å; Y13-F17 HydrophobicContact CD1-CD2 4.05Å; Y13-F17 AromaticContact CD1-CE2 3.92Å; Y13-F17 HydrophobicContact CD1-CE2 3.92Å; Y13-F17 AromaticContact CD2-CE2 3.8Å; Y13-F17 HydrophobicContact CD2-CE2 3.8Å; Y13-F17 AromaticContact CE1-CD2 3.83Å; Y13-F17 HydrophobicContact CE1-CD2 3.83Å; Y13-F17 AromaticContact CE1-CE2 3.45Å; Y13-F17 HydrophobicContact CE1-CE2 3.45Å; Y13-F17 VanDerWaalsContact CE1-CE2 3.45Å; Y13-F17 HydrophobicContact CE1-CZ 4.31Å; Y13-F17 HydrophobicContact CE2-CD2 4.4Å; Y13-F17 AromaticContact CE2-CE2 3.37Å; Y13-F17 HydrophobicContact CE2-CE2 3.37Å; Y13-F17 AromaticContact CE2-CZ 3.99Å; Y13-F17 HydrophobicContact CE2-CZ 3.99Å; Y13-F17 HydrophobicContact CG-CD2 4.41Å; Y13-F17 HydrophobicContact CG-CE2 4.08Å; Y13-F17 AromaticContact CZ-CE2 3.16Å; Y13-F17 AromaticContact CZ-CZ 3.7Å; Y13-F17 WeakPolarHBondContact O-CD2 3.32Å; Y13-F17 PolarHBondContact O-N 2.94Å; Y13-F17 WeakPolarHBondContact OH-CE2 3.48Å; Y13-F17 WeakPolarHBondContact OH-CZ 3.22Å; Y13-P24 HydrophobicContact CE1-CB 3.93Å |
| 14 | Y | 81.1 | Confident | 77.8 | Confident | 8 Ų | 8 | 73.6 Ų | 73.6 | 3% | 0.031 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60.7 | -40.7 | 179.5 | -87.3 | -91.9 | 0 | 0 | 0 | 112.2 | P10 R16 F17 L18 P24 E213 E214 L217 | P10-Y14 WeakPolarHBondContact O-CD2 3.5Å; P10-Y14 PolarHBondContact O-N 2.95Å; Y14-R16 VanDerWaalsContact C-N 3.28Å; Y14-R16 PolarHBondContact O-N 3.1Å; Y14-F17 PolarHBondContact O-N 3.14Å; Y14-L18 WeakPolarHBondContact O-CB 2.99Å; Y14-L18 WeakPolarHBondContact O-CG 3.43Å; Y14-L18 PolarHBondContact O-N 2.94Å; Y14-P24 HydrophobicContact CD1-CG 3.9Å; Y14-P24 HydrophobicContact CE1-CG 3.32Å; Y14-E213 HydrophobicContact CE2-CB 4.48Å; Y14-E213 PolarHBondContact OH-OE2 3.16Å; Y14-E214 HydrophobicContact CD1-CG 3.86Å; Y14-E214 HydrophobicContact CE1-CG 3.35Å; Y14-L217 HydrophobicContact CD2-CD1 3.49Å; Y14-L217 VanDerWaalsContact CD2-CD1 3.49Å; Y14-L217 HydrophobicContact CE2-CD1 3.79Å; Y14-L217 HydrophobicContact CG-CD1 4.02Å |
| 15 | R | 81.9 | Confident | 78.4 | Confident | 100 Ų | 100 | 76.3 Ų | 76.3 | 38% | 0.377 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59 | -35.1 | 175.7 | -80.8 | 174.8 | 170 | 160.8 | 2 | 113.5 | L11 E12 Y13 K19 D202 | L11-R15 WeakPolarHBondContact O-CB 3.1Å; L11-R15 VanDerWaalsContact O-CG 3.26Å; L11-R15 WeakPolarHBondContact O-CG 3.39Å; L11-R15 PolarHBondContact O-N 3.15Å; E12-R15 PolarHBondContact O-N 3.35Å; Y13-R15 VanDerWaalsContact C-N 3.34Å; Y13-R15 PolarHBondContact O-N 3.08Å; R15-K19 WeakPolarHBondContact O-CB 3.39Å; R15-K19 VanDerWaalsContact O-CG 3.29Å; R15-K19 WeakPolarHBondContact O-CG 3.27Å; R15-K19 PolarHBondContact O-N 2.86Å; R15-D202 IonicContact CZ-OD1 3.26Å; R15-D202 IonicContact CZ-OD2 2.83Å; R15-D202 IonicContact NE-OD1 3.56Å; R15-D202 PolarHBondContact NE-OD1 3.22Å; R15-D202 IonicContact NE-OD2 3.4Å; R15-D202 PolarHBondContact NE-OD2 3.32Å; R15-D202 IonicContact NH2-OD1 2.84Å; R15-D202 PolarHBondContact NH2-OD1 3.4Å; R15-D202 IonicContact NH2-OD2 2.69Å |
| 16 | R | 83.5 | Confident | 79 | Confident | 139 Ų | 139 | 76.3 Ų | 76.3 | 53% | 0.525 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -67.1 | -45.6 | 178 | -72.9 | 176.9 | -166.5 | -166.6 | 7.1 | 111.5 | E12 Y13 Y14 K19 E20 | E12-R16 WeakPolarHBondContact O-CG 3.35Å; E12-R16 PolarHBondContact O-N 2.86Å; E12-R16 IonicContact OE2-CZ 3.2Å; E12-R16 IonicContact OE2-NH2 3.07Å; E12-R16 PolarHBondContact OE2-NH2 2.82Å; E12-R16 VanDerWaalsContact OE2-NH2 3.09Å; Y13-R16 PolarHBondContact O-N 3.37Å; Y13-R16 VanDerWaalsContact O-N 3.12Å; Y14-R16 VanDerWaalsContact C-N 3.28Å; Y14-R16 PolarHBondContact O-N 3.1Å; R16-K19 PolarHBondContact O-N 3.37Å; R16-E20 PolarHBondContact O-N 2.67Å |
| 17 | F | 81.8 | Confident | 79.6 | Confident | 57 Ų | 57 | 74.2 Ų | 74.2 | 25% | 0.25 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.4 | -45.1 | 175.6 | -71.8 | -80.8 | 0 | 0 | 0 | 111.4 | Y13 Y14 K19 E20 N21 C22 P24 | Y13-F17 HydrophobicContact CD1-CD2 4.05Å; Y13-F17 AromaticContact CD1-CE2 3.92Å; Y13-F17 HydrophobicContact CD1-CE2 3.92Å; Y13-F17 AromaticContact CD2-CE2 3.8Å; Y13-F17 HydrophobicContact CD2-CE2 3.8Å; Y13-F17 AromaticContact CE1-CD2 3.83Å; Y13-F17 HydrophobicContact CE1-CD2 3.83Å; Y13-F17 AromaticContact CE1-CE2 3.45Å; Y13-F17 HydrophobicContact CE1-CE2 3.45Å; Y13-F17 VanDerWaalsContact CE1-CE2 3.45Å; Y13-F17 HydrophobicContact CE1-CZ 4.31Å; Y13-F17 HydrophobicContact CE2-CD2 4.4Å; Y13-F17 AromaticContact CE2-CE2 3.37Å; Y13-F17 HydrophobicContact CE2-CE2 3.37Å; Y13-F17 AromaticContact CE2-CZ 3.99Å; Y13-F17 HydrophobicContact CE2-CZ 3.99Å; Y13-F17 HydrophobicContact CG-CD2 4.41Å; Y13-F17 HydrophobicContact CG-CE2 4.08Å; Y13-F17 AromaticContact CZ-CE2 3.16Å; Y13-F17 AromaticContact CZ-CZ 3.7Å; Y13-F17 WeakPolarHBondContact O-CD2 3.32Å; Y13-F17 PolarHBondContact O-N 2.94Å; Y13-F17 WeakPolarHBondContact OH-CE2 3.48Å; Y13-F17 WeakPolarHBondContact OH-CZ 3.22Å; Y14-F17 PolarHBondContact O-N 3.14Å; F17-K19 VanDerWaalsContact C-N 3.28Å; F17-K19 PolarHBondContact O-N 3.42Å; F17-E20 CarbonylContact O-C 3.59Å; F17-E20 WeakPolarHBondContact O-CA 3.44Å; F17-E20 PolarHBondContact O-N 3.08Å; F17-N21 PolarHBondContact O-N 3.35Å; F17-C22 CarbonylContact C-O 3.58Å; F17-C22 VanDerWaalsContact CB-O 3.3Å; F17-C22 WeakPolarHBondContact CB-O 3.31Å; F17-C22 PolarHBondContact O-N 3.1Å; F17-C22 VanDerWaalsContact O-N 3.12Å; F17-C22 PolarHBondContact O-SG 2.81Å; F17-C22 VanDerWaalsContact O-SG 3.34Å; F17-P24 HydrophobicContact CD2-CB 4.48Å |
| 18 | L | 81.3 | Confident | 80.2 | Confident | 3 Ų | 3 | 75.5 Ų | 75.5 | 2% | 0.016 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.4 | -33.3 | 179.2 | -71.4 | 171.6 | 0 | 0 | 0 | 112.8 | Y14 E20 N21 L29 F201 L205 I207 | Y14-L18 WeakPolarHBondContact O-CB 2.99Å; Y14-L18 WeakPolarHBondContact O-CG 3.43Å; Y14-L18 PolarHBondContact O-N 2.94Å; L18-E20 VanDerWaalsContact C-N 3.28Å; L18-E20 PolarHBondContact O-N 2.76Å; L18-N21 PolarHBondContact O-N 3.15Å; L18-N21 VanDerWaalsContact O-N 3.14Å; L18-L29 HydrophobicContact CD2-CD2 3.84Å; L18-F201 HydrophobicContact CD1-CB 4.08Å; L18-F201 HydrophobicContact CD1-CD1 3.88Å; L18-F201 HydrophobicContact CD1-CD2 3.86Å; L18-F201 HydrophobicContact CD1-CE1 4.26Å; L18-F201 HydrophobicContact CD1-CE2 4.24Å; L18-F201 HydrophobicContact CD1-CG 3.66Å; L18-F201 HydrophobicContact CD1-CZ 4.41Å; L18-L205 HydrophobicContact CB-CD1 3.75Å; L18-I207 HydrophobicContact CD2-CG2 3.75Å |
| 19 | K | 82.3 | Confident | 80.5 | Confident | 168 Ų | 168 | 70.8 Ų | 70.8 | 73% | 0.73 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -64.8 | -30.4 | 172 | -81.2 | 178 | -179.2 | -177.6 | 0 | 113.3 | R15 R16 F17 N21 | R15-K19 WeakPolarHBondContact O-CB 3.39Å; R15-K19 VanDerWaalsContact O-CG 3.29Å; R15-K19 WeakPolarHBondContact O-CG 3.27Å; R15-K19 PolarHBondContact O-N 2.86Å; R16-K19 PolarHBondContact O-N 3.37Å; F17-K19 VanDerWaalsContact C-N 3.28Å; F17-K19 PolarHBondContact O-N 3.42Å; K19-N21 VanDerWaalsContact C-N 3.26Å |
| 20 | E | 82.7 | Confident | 80.4 | Confident | 150 Ų | 150 | 68.5 Ų | 68.5 | 70% | 0.701 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | 7.5 | 175.8 | -67.4 | -175.8 | 174.6 | 0 | 0 | 112.4 | R16 F17 L18 C22 | R16-E20 PolarHBondContact O-N 2.67Å; F17-E20 CarbonylContact O-C 3.59Å; F17-E20 WeakPolarHBondContact O-CA 3.44Å; F17-E20 PolarHBondContact O-N 3.08Å; L18-E20 VanDerWaalsContact C-N 3.28Å; L18-E20 PolarHBondContact O-N 2.76Å; E20-C22 PolarHBondContact O-N 3.3Å |
| 21 | N | 79.4 | Confident | 80.5 | Confident | 96 Ų | 96 | 70.9 Ų | 70.9 | 51% | 0.513 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 21.2 | -174.5 | -60.6 | -66.5 | 0 | 0 | 0 | 114.3 | F17 L18 K19 L29 | F17-N21 PolarHBondContact O-N 3.35Å; L18-N21 PolarHBondContact O-N 3.15Å; L18-N21 VanDerWaalsContact O-N 3.14Å; K19-N21 VanDerWaalsContact C-N 3.26Å; N21-L29 HydrophobicContact CB-CD1 4.29Å; N21-L29 WeakPolarHBondContact OD1-CD1 3.28Å |
| 22 | C | 80.3 | Confident | 80.7 | Confident | 39 Ų | 39 | 68.7 Ų | 68.7 | 26% | 0.264 | 35% | 0.347 | S | S | . | . | B | Isolated β-bridge | trans | -110.8 | 149.5 | 175.9 | 61.4 | 0 | 0 | 0 | 0 | 109.9 | F17 E20 | F17-C22 CarbonylContact C-O 3.58Å; F17-C22 VanDerWaalsContact CB-O 3.3Å; F17-C22 WeakPolarHBondContact CB-O 3.31Å; F17-C22 PolarHBondContact O-N 3.1Å; F17-C22 VanDerWaalsContact O-N 3.12Å; F17-C22 PolarHBondContact O-SG 2.81Å; F17-C22 VanDerWaalsContact O-SG 3.34Å; E20-C22 PolarHBondContact O-N 3.3Å |
| 23 | R | 81.4 | Confident | 81.1 | Confident | 4 Ų | 4 | 66 Ų | 66 | 2% | 0.015 | 33% | 0.334 | C | S | . | . | trans | -94.8 | 154.5 | 169.5 | -67.3 | 173.3 | 74.8 | 174.2 | 0.9 | 109.3 | D25 G26 R27 E28 V208 D209 E214 | R23-D25 PolarHBondContact O-N 2.92Å; R23-D25 VanDerWaalsContact O-N 3.08Å; R23-G26 PolarHBondContact O-N 3.13Å; R23-R27 WeakPolarHBondContact CB-O 3.47Å; R23-R27 WeakPolarHBondContact CG-O 3.28Å; R23-R27 PolarHBondContact N-O 2.93Å; R23-E28 WeakPolarHBondContact CD-O 3.48Å; R23-V208 PolarHBondContact NH1-O 3.04Å; R23-D209 PolarHBondContact NH2-O 3.08Å; R23-E214 IonicContact CZ-OE1 3.58Å; R23-E214 IonicContact CZ-OE2 3.98Å; R23-E214 IonicContact NE-OE1 2.76Å; R23-E214 PolarHBondContact NE-OE1 3.44Å; R23-E214 IonicContact NE-OE2 3.26Å; R23-E214 IonicContact NH2-OE1 2.67Å; R23-E214 PolarHBondContact NH2-OE1 2.94Å; R23-E214 IonicContact NH2-OE2 2.61Å; R23-E214 PolarHBondContact NH2-OE2 2.91Å | ||
| 24 | P | 77.3 | Confident | 81.2 | Confident | 44 Ų | 44 | 69.8 Ų | 69.8 | 29% | 0.286 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -14.8 | 174.7 | 25 | -32.9 | 0 | 0 | 0 | 113.5 | Y13 Y14 F17 G26 | Y13-P24 HydrophobicContact CE1-CB 3.93Å; Y14-P24 HydrophobicContact CD1-CG 3.9Å; Y14-P24 HydrophobicContact CE1-CG 3.32Å; F17-P24 HydrophobicContact CD2-CB 4.48Å; P24-G26 VanDerWaalsContact C-N 3.31Å |
| 25 | D | 74.4 | Confident | 81.5 | Confident | 98 Ų | 98 | 70.6 Ų | 70.6 | 52% | 0.524 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -4.2 | 173 | -159.3 | 18.1 | 0 | 0 | 0 | 113 | R23 R27 | R23-D25 PolarHBondContact O-N 2.92Å; R23-D25 VanDerWaalsContact O-N 3.08Å; D25-R27 VanDerWaalsContact C-N 3.27Å; D25-R27 PolarHBondContact O-N 3.39Å; D25-R27 IonicContact OD2-CZ 3.89Å; D25-R27 VanDerWaalsContact OD2-CZ 3.26Å; D25-R27 IonicContact OD2-NE 3.77Å; D25-R27 PolarHBondContact OD2-NE 3.44Å; D25-R27 IonicContact OD2-NH2 2.87Å; D25-R27 PolarHBondContact OD2-NH2 3Å |
| 26 | G | 77.1 | Confident | 81.9 | Confident | 69 Ų | 69 | 69.2 Ų | 69.2 | 71% | 0.711 | 37% | 0.369 | S | S | * | . | S | Bend | trans | 82.5 | -3.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115 | R23 P24 | R23-G26 PolarHBondContact O-N 3.13Å; P24-G26 VanDerWaalsContact C-N 3.31Å |
| 27 | R | 82.1 | Confident | 82.3 | Confident | 21 Ų | 21 | 63.4 Ų | 63.4 | 8% | 0.079 | 35% | 0.349 | C | S | . | . | trans | -78.4 | 156.1 | 177.9 | -72.7 | -170.9 | -73.3 | 144.6 | -6.6 | 113.5 | R23 D25 E31 R33 D209 | R23-R27 WeakPolarHBondContact CB-O 3.47Å; R23-R27 WeakPolarHBondContact CG-O 3.28Å; R23-R27 PolarHBondContact N-O 2.93Å; D25-R27 VanDerWaalsContact C-N 3.27Å; D25-R27 PolarHBondContact O-N 3.39Å; D25-R27 IonicContact OD2-CZ 3.89Å; D25-R27 VanDerWaalsContact OD2-CZ 3.26Å; D25-R27 IonicContact OD2-NE 3.77Å; D25-R27 PolarHBondContact OD2-NE 3.44Å; D25-R27 IonicContact OD2-NH2 2.87Å; D25-R27 PolarHBondContact OD2-NH2 3Å; R27-E31 VanDerWaalsContact CA-OE2 3.32Å; R27-E31 WeakPolarHBondContact CA-OE2 3.03Å; R27-E31 HydrophobicContact CB-CB 4.2Å; R27-E31 HydrophobicContact CB-CG 4.49Å; R27-E31 WeakPolarHBondContact CB-OE2 3.3Å; R27-E31 HydrophobicContact CG-CG 4.3Å; R27-E31 PolarHBondContact NH1-O 3.46Å; R27-R33 VanDerWaalsContact NH1-CG 3.31Å; R27-D209 IonicContact NH1-OD2 2.99Å; R27-D209 PolarHBondContact NH1-OD2 2.86Å | ||
| 28 | E | 83.7 | Confident | 82.7 | Confident | 143 Ų | 143 | 65 Ų | 65 | 67% | 0.668 | 36% | 0.36 | S | S | * | . | B | Isolated β-bridge | trans | -76.6 | 166.1 | 169.4 | -63.8 | -169.9 | 170.4 | 0 | 0 | 112.1 | R23 G30 E31 | R23-E28 WeakPolarHBondContact CD-O 3.48Å; E28-G30 PolarHBondContact O-N 2.94Å; E28-E31 HydrophobicContact CB-CB 4.32Å; E28-E31 PolarHBondContact N-OE2 2.61Å; E28-E31 VanDerWaalsContact N-OE2 3.15Å; E28-E31 PolarHBondContact O-N 3.14Å |
| 29 | L | 79.1 | Confident | 83 | Confident | 28 Ų | 28 | 65.9 Ų | 65.9 | 15% | 0.147 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -28 | -179.5 | -61.1 | 174.3 | 0 | 0 | 0 | 113.3 | L18 N21 I207 V208 | L18-L29 HydrophobicContact CD2-CD2 3.84Å; N21-L29 HydrophobicContact CB-CD1 4.29Å; N21-L29 WeakPolarHBondContact OD1-CD1 3.28Å; L29-I207 HydrophobicContact CD2-CG2 3.71Å; L29-V208 WeakPolarHBondContact O-CG2 3.42Å; L29-V208 PolarHBondContact O-N 3.42Å |
| 30 | G | 78.5 | Confident | 83.1 | Confident | 35 Ų | 35 | 59.4 Ų | 59.4 | 36% | 0.361 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 1.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | E28 | E28-G30 PolarHBondContact O-N 2.94Š|
| 31 | E | 81.3 | Confident | 83.1 | Confident | 94 Ų | 94 | 55 Ų | 55 | 44% | 0.439 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -92 | 120.1 | -168 | -171.4 | 176.9 | -174.6 | 0 | 0 | 112.3 | R27 E28 | R27-E31 VanDerWaalsContact CA-OE2 3.32Å; R27-E31 WeakPolarHBondContact CA-OE2 3.03Å; R27-E31 HydrophobicContact CB-CB 4.2Å; R27-E31 HydrophobicContact CB-CG 4.49Å; R27-E31 WeakPolarHBondContact CB-OE2 3.3Å; R27-E31 HydrophobicContact CG-CG 4.3Å; R27-E31 PolarHBondContact NH1-O 3.46Å; E28-E31 HydrophobicContact CB-CB 4.32Å; E28-E31 PolarHBondContact N-OE2 2.61Å; E28-E31 VanDerWaalsContact N-OE2 3.15Å; E28-E31 PolarHBondContact O-N 3.14Å |
| 32 | F | 83 | Confident | 83.4 | Confident | 36 Ų | 36 | 52.9 Ų | 52.9 | 16% | 0.158 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -77.5 | 148 | 176.7 | -68 | -91.7 | 0 | 0 | 0 | 111.4 | T196 V208 D209 R258 | F32-T196 HydrophobicContact CZ-CG2 4.5Å; F32-V208 HydrophobicContact CD1-CG1 4.13Å; F32-V208 HydrophobicContact CD2-CG1 4.39Å; F32-V208 HydrophobicContact CE1-CG1 3.36Å; F32-V208 HydrophobicContact CE2-CG1 3.66Å; F32-V208 HydrophobicContact CZ-CB 4.4Å; F32-V208 HydrophobicContact CZ-CG1 3.09Å; F32-D209 HydrophobicContact CD1-CB 3.87Å; F32-D209 HydrophobicContact CE1-CB 4.37Å; F32-R258 HydrophobicContact CD1-CG 4.18Å; F32-R258 VanDerWaalsContact CD2-CD 3.49Å; F32-R258 HydrophobicContact CD2-CG 4.17Å; F32-R258 HydrophobicContact CE1-CB 4.32Å; F32-R258 HydrophobicContact CE1-CG 3.6Å; F32-R258 HydrophobicContact CE2-CB 3.62Å; F32-R258 VanDerWaalsContact CE2-CD 3.44Å; F32-R258 HydrophobicContact CE2-CG 3.6Å; F32-R258 HydrophobicContact CG-CG 4.42Å; F32-R258 HydrophobicContact CZ-CB 3.48Å; F32-R258 VanDerWaalsContact CZ-CB 3.48Å; F32-R258 HydrophobicContact CZ-CG 3.26Å |
| 33 | R | 87.2 | Confident | 83.5 | Confident | 20 Ų | 20 | 56.8 Ų | 56.8 | 8% | 0.075 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 158.4 | 170.2 | -72.9 | 175.3 | -118.1 | -176.3 | 12.9 | 111.6 | R27 T35 D145 D209 P210 | R27-R33 VanDerWaalsContact NH1-CG 3.31Å; R33-T35 WeakPolarHBondContact O-CG2 3.49Å; R33-T35 PolarHBondContact O-N 2.97Å; R33-T35 VanDerWaalsContact O-N 3.14Å; R33-D145 IonicContact CZ-OD1 2.82Å; R33-D145 PolarHBondContact NH1-O 3.31Å; R33-D145 IonicContact NH1-OD1 3.98Å; R33-D145 PolarHBondContact NH1-OD1 2.92Å; R33-D145 PolarHBondContact NH2-O 3.36Å; R33-D209 VanDerWaalsContact CG-OD2 3.27Å; R33-D209 WeakPolarHBondContact CG-OD2 2.76Å; R33-D209 IonicContact CZ-OD2 2.8Å; R33-D209 PolarHBondContact N-OD2 2.82Å; R33-D209 IonicContact NE-OD2 3.59Å; R33-D209 PolarHBondContact NE-OD2 2.87Å; R33-D209 PolarHBondContact NH2-O 2.74Å; R33-D209 IonicContact NH2-OD1 3.65Å; R33-D209 IonicContact NH2-OD2 3.45Å; R33-P210 PolarHBondContact NH2-O 2.8Å |
| 34 | T | 85.6 | Confident | 83.7 | Confident | 114 Ų | 114 | 62.3 Ų | 62.3 | 70% | 0.699 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -55.5 | 119.8 | 169.4 | 51.6 | 0 | 0 | 0 | 0 | 109.9 | G54 | T34-G54 PolarHBondContact O-N 2.87Š|
| 35 | T | 88.3 | Confident | 84.2 | Confident | 25 Ų | 25 | 61 Ų | 61 | 15% | 0.153 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 121.2 | 178.9 | 53 | 0 | 0 | 0 | 0 | 109.9 | R33 K52 L53 R258 L265 | R33-T35 WeakPolarHBondContact O-CG2 3.49Å; R33-T35 PolarHBondContact O-N 2.97Å; R33-T35 VanDerWaalsContact O-N 3.14Å; T35-K52 WeakPolarHBondContact CA-O 3.23Å; T35-L53 HydrophobicContact CG2-CB 4.45Å; T35-L53 HydrophobicContact CG2-CD2 3.85Å; T35-L53 HydrophobicContact CG2-CG 3.71Å; T35-R258 PolarHBondContact OG1-NH2 3.46Å; T35-L265 WeakPolarHBondContact OG1-CD1 3.15Å |
| 36 | T | 90.3 | Very high | 84.8 | Confident | 71 Ų | 71 | 59 Ų | 59 | 44% | 0.436 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 136.9 | 177.1 | 51.9 | 0 | 0 | 0 | 0 | 109.6 | V51 K52 | T36-V51 WeakPolarHBondContact O-CA 3.49Å; T36-K52 PolarHBondContact N-O 2.78Å; T36-K52 PolarHBondContact O-N 2.97Å; T36-K52 WeakPolarHBondContact OG1-CB 2.96Å; T36-K52 PolarHBondContact OG1-O 3.42Å |
| 37 | V | 90.8 | Very high | 85.4 | Confident | 17 Ų | 17 | 55.7 Ų | 55.7 | 10% | 0.103 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 129.4 | -176.4 | -178.5 | 0 | 0 | 0 | 0 | 109.2 | I39 L50 V51 F154 A158 V269 | V37-I39 HydrophobicContact CG1-CG1 3.8Å; V37-L50 WeakPolarHBondContact CA-O 3.24Å; V37-V51 HydrophobicContact CG1-CG2 4.19Å; V37-V51 HydrophobicContact CG2-CG1 4.34Å; V37-V51 HydrophobicContact CG2-CG2 4.16Å; V37-F154 HydrophobicContact CG2-CD1 3.95Å; V37-F154 HydrophobicContact CG2-CE1 3.09Å; V37-F154 HydrophobicContact CG2-CZ 3.49Å; V37-F154 VanDerWaalsContact CG2-CZ 3.49Å; V37-A158 HydrophobicContact CG1-CB 3.99Å; V37-V269 HydrophobicContact CB-CG2 4.45Å; V37-V269 HydrophobicContact CG1-CG1 4.49Å |
| 38 | N | 90.1 | Very high | 85.9 | Confident | 90 Ų | 90 | 54.7 Ų | 54.7 | 48% | 0.481 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 99.6 | 172.5 | -63.8 | -53.9 | 0 | 0 | 0 | 108.8 | S41 A49 L50 | N38-S41 WeakPolarHBondContact CB-OG 3.48Å; N38-S41 PolarHBondContact O-OG 3.29Å; N38-A49 WeakPolarHBondContact O-CA 3.46Å; N38-L50 HydrophobicContact CB-CB 4.29Å; N38-L50 PolarHBondContact N-O 3.5Å; N38-L50 PolarHBondContact O-N 3.46Å |
| 39 | I | 88.8 | Confident | 86.4 | Confident | 21 Ų | 21 | 47.9 Ų | 47.9 | 11% | 0.108 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 142.1 | 176.2 | -54.5 | -176.6 | 0 | 0 | 0 | 109 | V37 A158 N162 V269 I270 M273 | V37-I39 HydrophobicContact CG1-CG1 3.8Å; I39-A158 HydrophobicContact CD1-CB 4.41Å; I39-A158 HydrophobicContact CG1-CB 4.26Å; I39-N162 HydrophobicContact CG2-CB 3.38Å; I39-N162 VanDerWaalsContact CG2-CG 3.45Å; I39-V269 HydrophobicContact CB-CG1 4.5Å; I39-V269 HydrophobicContact CD1-CB 4.39Å; I39-V269 HydrophobicContact CD1-CG1 3.62Å; I39-V269 HydrophobicContact CG1-CG1 3.73Å; I39-I270 HydrophobicContact CD1-CG1 4.02Å; I39-M273 HydrophobicContact CB-CE 4.2Å; I39-M273 HydrophobicContact CB-SD 3.73Å; I39-M273 HydrophobicContact CG2-CE 4Å; I39-M273 HydrophobicContact CG2-SD 3.6Å; I39-M273 VanDerWaalsContact O-CE 3.23Å; I39-M273 WeakPolarHBondContact O-CE 3.46Å |
| 40 | G | 84.3 | Confident | 87.1 | Confident | 32 Ų | 32 | 48.6 Ų | 48.6 | 33% | 0.33 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | 28.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | I42 S48 N162 | G40-I42 PolarHBondContact O-N 2.91Å; G40-S48 WeakPolarHBondContact CA-OG 3.26Å; G40-S48 PolarHBondContact N-O 2.72Å; G40-N162 VanDerWaalsContact CA-ND2 3.27Å; G40-N162 WeakPolarHBondContact CA-ND2 3.21Å; G40-N162 PolarHBondContact N-ND2 2.91Å |
| 41 | S | 82.3 | Confident | 87.8 | Confident | 57 Ų | 57 | 46.9 Ų | 46.9 | 40% | 0.399 | 28% | 0.281 | S | S | . | . | trans | -65.1 | -27.1 | -179.3 | -65.7 | 0 | 0 | 0 | 0 | 113.1 | N38 S48 L50 | N38-S41 WeakPolarHBondContact CB-OG 3.48Å; N38-S41 PolarHBondContact O-OG 3.29Å; S41-S48 PolarHBondContact N-OG 3.26Å; S41-L50 WeakPolarHBondContact OG-CB 3.41Å | ||
| 42 | I | 86.3 | Confident | 88.3 | Confident | 53 Ų | 53 | 46.8 Ų | 46.8 | 27% | 0.272 | 28% | 0.279 | S | S | . | . | trans | -112.1 | 119.3 | 179.5 | -55.3 | 168 | 0 | 0 | 0 | 108.9 | G40 T44 A45 S48 I59 | G40-I42 PolarHBondContact O-N 2.91Å; I42-T44 WeakPolarHBondContact CG2-OG1 3.2Å; I42-A45 HydrophobicContact CB-CB 4.24Å; I42-A45 HydrophobicContact CG2-CB 3.93Å; I42-S48 PolarHBondContact N-OG 3.36Å; I42-S48 PolarHBondContact O-OG 2.95Å; I42-S48 VanDerWaalsContact O-OG 3.04Å; I42-I59 HydrophobicContact CD1-CD1 3.64Å; I42-I59 HydrophobicContact CD1-CG1 3.97Å; I42-I59 HydrophobicContact CG1-CD1 3.93Å | ||
| 43 | S | 82.2 | Confident | 88.6 | Confident | 121 Ų | 121 | 45.6 Ų | 45.6 | 85% | 0.846 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -19.5 | 179.1 | 55.5 | 0 | 0 | 0 | 0 | 114.3 | ||
| 44 | T | 86 | Confident | 88.6 | Confident | 119 Ų | 119 | 45.2 Ų | 45.2 | 73% | 0.73 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -8.1 | 179.8 | 54 | 0 | 0 | 0 | 0 | 113.7 | I42 | I42-T44 WeakPolarHBondContact CG2-OG1 3.2Š|
| 45 | A | 86.3 | Confident | 88.8 | Confident | 17 Ų | 17 | 43.9 Ų | 43.9 | 14% | 0.14 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -102.4 | 148 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | I42 G47 | I42-A45 HydrophobicContact CB-CB 4.24Å; I42-A45 HydrophobicContact CG2-CB 3.93Å; A45-G47 VanDerWaalsContact C-N 3.25Å; A45-G47 WeakPolarHBondContact CB-O 3.48Å; A45-G47 PolarHBondContact O-N 2.73Å |
| 46 | D | 87.8 | Confident | 88.9 | Confident | 55 Ų | 55 | 42.8 Ų | 42.8 | 29% | 0.294 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -69.9 | -27.9 | 179.3 | -60.1 | -63.4 | 0 | 0 | 0 | 111.9 | I62 A64 V163 Q164 | D46-I62 PolarHBondContact N-O 3.28Å; D46-A64 PolarHBondContact OD2-N 2.89Å; D46-V163 WeakPolarHBondContact O-CA 3.37Å; D46-Q164 PolarHBondContact O-N 2.89Å; D46-Q164 VanDerWaalsContact O-N 3.12Å |
| 47 | G | 89.4 | Confident | 89.1 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 145.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | A45 I62 | A45-G47 VanDerWaalsContact C-N 3.25Å; A45-G47 WeakPolarHBondContact CB-O 3.48Å; A45-G47 PolarHBondContact O-N 2.73Å; G47-I62 PolarHBondContact N-O 3.3Å; G47-I62 PolarHBondContact O-N 3.49Å |
| 48 | S | 92.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 152.5 | 175 | 59.6 | 0 | 0 | 0 | 0 | 111.6 | G40 S41 I42 C60 N162 | G40-S48 WeakPolarHBondContact CA-OG 3.26Å; G40-S48 PolarHBondContact N-O 2.72Å; S41-S48 PolarHBondContact N-OG 3.26Å; I42-S48 PolarHBondContact N-OG 3.36Å; I42-S48 PolarHBondContact O-OG 2.95Å; I42-S48 VanDerWaalsContact O-OG 3.04Å; S48-C60 CarbonylContact C-O 3.57Å; S48-C60 WeakPolarHBondContact CA-O 3Å; S48-N162 PolarHBondContact O-ND2 3.33Å |
| 49 | A | 93.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 142.6 | 170 | 0 | 0 | 0 | 0 | 0 | 110.5 | N38 C60 A158 A159 | N38-A49 WeakPolarHBondContact O-CA 3.46Å; A49-C60 PolarHBondContact N-O 2.87Å; A49-C60 PolarHBondContact O-N 2.8Å; A49-A158 HydrophobicContact CB-CB 3.56Å; A49-A159 HydrophobicContact CB-CB 3.92Å |
| 50 | L | 93.6 | Very high | 89.7 | Confident | 42 Ų | 42 | 35.9 Ų | 35.9 | 22% | 0.22 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 122.1 | 170.3 | 176.3 | 72 | 0 | 0 | 0 | 107.5 | V37 N38 S41 T57 I59 L142 | V37-L50 WeakPolarHBondContact CA-O 3.24Å; N38-L50 HydrophobicContact CB-CB 4.29Å; N38-L50 PolarHBondContact N-O 3.5Å; N38-L50 PolarHBondContact O-N 3.46Å; S41-L50 WeakPolarHBondContact OG-CB 3.41Å; L50-T57 HydrophobicContact CD1-CG2 3.64Å; L50-T57 HydrophobicContact CG-CG2 4.42Å; L50-I59 HydrophobicContact CD1-CB 3.89Å; L50-I59 HydrophobicContact CD1-CD1 4.34Å; L50-I59 HydrophobicContact CD1-CG1 4.22Å; L50-L142 HydrophobicContact CD1-CD1 4.19Å |
| 51 | V | 93.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 133.4 | -179.8 | -179.1 | 0 | 0 | 0 | 0 | 108.7 | T36 V37 L53 T57 V58 F154 A155 | T36-V51 WeakPolarHBondContact O-CA 3.49Å; V37-V51 HydrophobicContact CG1-CG2 4.19Å; V37-V51 HydrophobicContact CG2-CG1 4.34Å; V37-V51 HydrophobicContact CG2-CG2 4.16Å; V51-L53 HydrophobicContact CG1-CD1 3.47Å; V51-L53 VanDerWaalsContact CG1-CD1 3.47Å; V51-T57 CarbonylContact O-C 3.56Å; V51-T57 WeakPolarHBondContact O-CA 3.4Å; V51-V58 PolarHBondContact N-O 3.37Å; V51-V58 PolarHBondContact O-N 3.12Å; V51-F154 HydrophobicContact CG1-CD1 3.5Å; V51-F154 HydrophobicContact CG1-CE1 4.18Å; V51-F154 HydrophobicContact CG1-CG 4.4Å; V51-F154 HydrophobicContact CG2-CD1 4.27Å; V51-A155 HydrophobicContact CB-CB 4.08Å; V51-A155 VanDerWaalsContact CG2-CA 3.45Å; V51-A155 HydrophobicContact CG2-CB 3.71Å |
| 52 | K | 92.4 | Very high | 90.8 | Very high | 91 Ų | 91 | 32.3 Ų | 32.3 | 40% | 0.396 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 116.8 | 175.5 | 175.3 | 171.9 | -177.6 | 166.8 | 0 | 109.9 | T35 T36 G54 T56 T57 | T35-K52 WeakPolarHBondContact CA-O 3.23Å; T36-K52 PolarHBondContact N-O 2.78Å; T36-K52 PolarHBondContact O-N 2.97Å; T36-K52 WeakPolarHBondContact OG1-CB 2.96Å; T36-K52 PolarHBondContact OG1-O 3.42Å; K52-G54 WeakPolarHBondContact CE-O 3.48Å; K52-G54 VanDerWaalsContact CG-O 3.26Å; K52-G54 WeakPolarHBondContact CG-O 3.35Å; K52-T56 CarbonylContact C-O 3.57Å; K52-T56 VanDerWaalsContact CA-O 3.3Å; K52-T56 WeakPolarHBondContact CA-O 3.3Å; K52-T57 HydrophobicContact CB-CG2 4.34Å |
| 53 | L | 89.8 | Confident | 91.1 | Very high | 11 Ų | 11 | 35 Ų | 35 | 6% | 0.058 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 98.9 | 173.9 | -70.4 | 91.5 | 0 | 0 | 0 | 108.2 | T35 V51 N55 T56 A151 | T35-L53 HydrophobicContact CG2-CB 4.45Å; T35-L53 HydrophobicContact CG2-CD2 3.85Å; T35-L53 HydrophobicContact CG2-CG 3.71Å; V51-L53 HydrophobicContact CG1-CD1 3.47Å; V51-L53 VanDerWaalsContact CG1-CD1 3.47Å; L53-N55 PolarHBondContact O-N 3.23Å; L53-T56 PolarHBondContact N-O 3.14Å; L53-T56 PolarHBondContact O-N 2.9Å; L53-A151 HydrophobicContact CD1-CB 3.53Å |
| 54 | G | 88.1 | Confident | 91.5 | Very high | 13 Ų | 13 | 30 Ų | 30 | 13% | 0.134 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | -108.5 | -170.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | T34 K52 | T34-G54 PolarHBondContact O-N 2.87Å; K52-G54 WeakPolarHBondContact CE-O 3.48Å; K52-G54 VanDerWaalsContact CG-O 3.26Å; K52-G54 WeakPolarHBondContact CG-O 3.35Å |
| 55 | N | 88.2 | Confident | 91.6 | Very high | 86 Ų | 86 | 29.2 Ų | 29.2 | 46% | 0.46 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -29.2 | 176.4 | -60.2 | -25.6 | 0 | 0 | 0 | 112.6 | L53 T57 D143 D145 | L53-N55 PolarHBondContact O-N 3.23Å; N55-T57 PolarHBondContact O-N 2.55Å; N55-T57 PolarHBondContact O-OG1 2.94Å; N55-T57 VanDerWaalsContact O-OG1 3.07Å; N55-D143 WeakPolarHBondContact O-CB 3.35Å; N55-D145 HydrophobicContact CB-CB 3.69Å; N55-D145 WeakPolarHBondContact CB-OD2 3.48Å; N55-D145 PolarHBondContact ND2-OD2 3.44Å |
| 56 | T | 91.3 | Very high | 91.7 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 120.7 | -180 | -55.1 | 0 | 0 | 0 | 0 | 109.7 | K52 L53 D143 D145 G146 A151 | K52-T56 CarbonylContact C-O 3.57Å; K52-T56 VanDerWaalsContact CA-O 3.3Å; K52-T56 WeakPolarHBondContact CA-O 3.3Å; L53-T56 PolarHBondContact N-O 3.14Å; L53-T56 PolarHBondContact O-N 2.9Å; T56-D143 CarbonylContact C-O 3.47Å; T56-D143 VanDerWaalsContact CA-O 3.26Å; T56-D143 WeakPolarHBondContact CA-O 3.23Å; T56-D145 VanDerWaalsContact OG1-CA 3.32Å; T56-D145 WeakPolarHBondContact OG1-CA 3.39Å; T56-D145 WeakPolarHBondContact OG1-CB 3.39Å; T56-D145 PolarHBondContact OG1-N 3.45Å; T56-D145 PolarHBondContact OG1-O 3.02Å; T56-G146 PolarHBondContact OG1-O 3.25Å; T56-A151 HydrophobicContact CG2-CB 4.23Å |
| 57 | T | 93.3 | Very high | 91.6 | Very high | 18 Ų | 18 | 31.2 Ų | 31.2 | 11% | 0.11 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 122.7 | -176.1 | -54.5 | 0 | 0 | 0 | 0 | 109.3 | L50 V51 K52 N55 L142 D143 | L50-T57 HydrophobicContact CD1-CG2 3.64Å; L50-T57 HydrophobicContact CG-CG2 4.42Å; V51-T57 CarbonylContact O-C 3.56Å; V51-T57 WeakPolarHBondContact O-CA 3.4Å; K52-T57 HydrophobicContact CB-CG2 4.34Å; N55-T57 PolarHBondContact O-N 2.55Å; N55-T57 PolarHBondContact O-OG1 2.94Å; N55-T57 VanDerWaalsContact O-OG1 3.07Å; T57-L142 HydrophobicContact CG2-CB 4.35Å; T57-L142 HydrophobicContact CG2-CD1 4.08Å; T57-L142 PolarHBondContact O-N 3.25Å; T57-D143 PolarHBondContact N-O 3.17Å; T57-D143 PolarHBondContact O-N 3.23Å |
| 58 | V | 94.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 133 | 178.9 | 179.1 | 0 | 0 | 0 | 0 | 109.2 | V51 L139 C141 I148 A151 A155 | V51-V58 PolarHBondContact N-O 3.37Å; V51-V58 PolarHBondContact O-N 3.12Å; V58-L139 HydrophobicContact CG1-CB 4.36Å; V58-L139 HydrophobicContact CG1-CD2 4.3Å; V58-C141 HydrophobicContact CG2-CB 4.39Å; V58-I148 HydrophobicContact CG2-CD1 3.58Å; V58-A151 HydrophobicContact CB-CB 4.35Å; V58-A151 HydrophobicContact CG2-CB 3.62Å; V58-A155 HydrophobicContact CB-CB 4.46Å; V58-A155 HydrophobicContact CG1-CB 4.07Å |
| 59 | I | 94.8 | Very high | 91.2 | Very high | 37 Ų | 37 | 34.9 Ų | 34.9 | 19% | 0.19 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 130.7 | 171.6 | -165.8 | 163.5 | 0 | 0 | 0 | 109.2 | I42 L50 L139 I140 L142 | I42-I59 HydrophobicContact CD1-CD1 3.64Å; I42-I59 HydrophobicContact CD1-CG1 3.97Å; I42-I59 HydrophobicContact CG1-CD1 3.93Å; L50-I59 HydrophobicContact CD1-CB 3.89Å; L50-I59 HydrophobicContact CD1-CD1 4.34Å; L50-I59 HydrophobicContact CD1-CG1 4.22Å; I59-L139 CarbonylContact O-C 3.53Å; I59-L139 WeakPolarHBondContact O-CA 3.43Å; I59-I140 HydrophobicContact CG2-CB 3.93Å; I59-I140 WeakPolarHBondContact CG2-O 3.41Å; I59-I140 PolarHBondContact N-O 3.2Å; I59-I140 PolarHBondContact O-N 3.5Å; I59-L142 HydrophobicContact CG2-CD2 4.39Å; I59-L142 HydrophobicContact CG2-CG 4.38Å |
| 60 | C | 94.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 125.4 | 171.5 | -177.9 | 0 | 0 | 0 | 0 | 108.8 | S48 A49 D138 L139 A155 A159 | S48-C60 CarbonylContact C-O 3.57Å; S48-C60 WeakPolarHBondContact CA-O 3Å; A49-C60 PolarHBondContact N-O 2.87Å; A49-C60 PolarHBondContact O-N 2.8Å; C60-D138 CarbonylContact C-O 3.6Å; C60-D138 WeakPolarHBondContact CA-O 3.43Å; C60-L139 HydrophobicContact CB-CD2 4.15Å; C60-L139 HydrophobicContact CB-CG 4.01Å; C60-A155 HydrophobicContact CB-CB 3.93Å; C60-A159 HydrophobicContact CB-CB 3.88Å; C60-A159 VanDerWaalsContact SG-CB 3.56Å |
| 61 | G | 94.5 | Very high | 90.1 | Very high | 13 Ų | 13 | 43.7 Ų | 43.7 | 13% | 0.134 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 129.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | D138 | G61-D138 PolarHBondContact N-O 3.32Å; G61-D138 PolarHBondContact O-N 3.23Å |
| 62 | I | 94.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 124.9 | 178.2 | -55.7 | -177 | 0 | 0 | 0 | 108.5 | D46 G47 L135 Y136 C137 L156 A159 L160 V163 | D46-I62 PolarHBondContact N-O 3.28Å; G47-I62 PolarHBondContact N-O 3.3Å; G47-I62 PolarHBondContact O-N 3.49Å; I62-L135 HydrophobicContact CG2-CB 4.39Å; I62-L135 HydrophobicContact CG2-CD2 4.49Å; I62-Y136 VanDerWaalsContact CA-O 3.29Å; I62-Y136 WeakPolarHBondContact CA-O 3.4Å; I62-C137 HydrophobicContact CG1-CB 4.32Å; I62-L156 HydrophobicContact CD1-CD1 4.46Å; I62-A159 HydrophobicContact CD1-CB 3.59Å; I62-A159 HydrophobicContact CG1-CB 3.94Å; I62-L160 HydrophobicContact CD1-CB 4.4Å; I62-L160 HydrophobicContact CD1-CD2 3.59Å; I62-L160 HydrophobicContact CD1-CG 3.77Å; I62-V163 HydrophobicContact CB-CG2 3.95Å; I62-V163 HydrophobicContact CD1-CG2 3.69Å; I62-V163 HydrophobicContact CG1-CG2 4.39Å; I62-V163 HydrophobicContact CG2-CG2 3.77Å |
| 63 | K | 92.4 | Very high | 89.1 | Confident | 109 Ų | 109 | 47.9 Ų | 47.9 | 47% | 0.474 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 136.3 | 173 | -73.8 | -166.7 | 175.2 | -176.4 | 0 | 110.3 | Y136 | K63-Y136 PolarHBondContact N-O 3Å; K63-Y136 PolarHBondContact O-N 3.47Å |
| 64 | A | 90.1 | Very high | 88.7 | Confident | 18 Ų | 18 | 50 Ų | 50 | 15% | 0.149 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 127.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | D46 W133 V134 L135 L165 | D46-A64 PolarHBondContact OD2-N 2.89Å; A64-W133 HydrophobicContact CB-CE3 3.61Å; A64-W133 HydrophobicContact CB-CH2 4.35Å; A64-W133 HydrophobicContact CB-CZ3 3.47Å; A64-W133 VanDerWaalsContact CB-CZ3 3.47Å; A64-V134 WeakPolarHBondContact CA-O 3.49Å; A64-L135 HydrophobicContact CB-CD2 3.69Å; A64-L165 HydrophobicContact CB-CD2 3.28Å |
| 65 | E | 89.3 | Confident | 88.5 | Confident | 102 Ų | 102 | 52.7 Ų | 52.7 | 48% | 0.477 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 161.3 | 174.3 | -64.7 | -167.7 | 165.4 | 0 | 0 | 110.9 | V134 Y136 | E65-V134 PolarHBondContact N-O 3.4Å; E65-V134 PolarHBondContact O-N 3.16Å; E65-Y136 HydrophobicContact CB-CD2 4.48Å; E65-Y136 HydrophobicContact CB-CE2 4.05Å; E65-Y136 HydrophobicContact CG-CD2 4.16Å; E65-Y136 HydrophobicContact CG-CE2 4Å; E65-Y136 VanDerWaalsContact OE2-CE2 3.3Å; E65-Y136 WeakPolarHBondContact OE2-CE2 3.42Å |
| 66 | F | 88.1 | Confident | 88.3 | Confident | 80 Ų | 80 | 54.5 Ų | 54.5 | 35% | 0.351 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 131.8 | 174.5 | -59.2 | -66.9 | 0 | 0 | 0 | 110.4 | I126 L131 W133 V168 V179 | F66-I126 HydrophobicContact CD1-CD1 3.66Å; F66-I126 HydrophobicContact CE1-CD1 3.54Å; F66-L131 HydrophobicContact CB-CD2 4.19Å; F66-W133 HydrophobicContact CD1-CD2 4.14Å; F66-W133 AromaticContact CD1-CE3 3.97Å; F66-W133 HydrophobicContact CD1-CE3 3.97Å; F66-W133 HydrophobicContact CD1-CH2 4.26Å; F66-W133 HydrophobicContact CD1-CZ2 4.4Å; F66-W133 HydrophobicContact CD1-CZ3 4.02Å; F66-W133 AromaticContact CE1-CD2 3.79Å; F66-W133 HydrophobicContact CE1-CD2 3.79Å; F66-W133 AromaticContact CE1-CE2 3.54Å; F66-W133 AromaticContact CE1-CE3 3.74Å; F66-W133 HydrophobicContact CE1-CE3 3.74Å; F66-W133 AromaticContact CE1-CH2 3.29Å; F66-W133 HydrophobicContact CE1-CH2 3.29Å; F66-W133 AromaticContact CE1-CZ2 3.31Å; F66-W133 HydrophobicContact CE1-CZ2 3.31Å; F66-W133 AromaticContact CE1-CZ3 3.49Å; F66-W133 HydrophobicContact CE1-CZ3 3.49Å; F66-W133 VanDerWaalsContact CE1-CZ3 3.49Å; F66-W133 HydrophobicContact CE2-CH2 4.07Å; F66-W133 HydrophobicContact CE2-CZ3 4.21Å; F66-W133 HydrophobicContact CZ-CE3 4.32Å; F66-W133 AromaticContact CZ-CH2 3.17Å; F66-W133 HydrophobicContact CZ-CH2 3.17Å; F66-W133 AromaticContact CZ-CZ2 3.55Å; F66-W133 HydrophobicContact CZ-CZ2 3.55Å; F66-W133 AromaticContact CZ-CZ3 3.6Å; F66-W133 HydrophobicContact CZ-CZ3 3.6Å; F66-V168 HydrophobicContact CE1-CB 4.41Å; F66-V168 HydrophobicContact CE1-CG1 4.28Å; F66-V168 HydrophobicContact CE1-CG2 3.68Å; F66-V168 HydrophobicContact CZ-CG1 4.39Å; F66-V168 HydrophobicContact CZ-CG2 3.59Å; F66-V179 HydrophobicContact CE2-CG2 4.18Å; F66-V179 HydrophobicContact CZ-CG2 4.13Å |
| 67 | A | 86.7 | Confident | 88 | Confident | 34 Ų | 34 | 54.6 Ų | 54.6 | 28% | 0.281 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 164.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A132 V134 | A67-A132 PolarHBondContact N-O 3.25Å; A67-A132 PolarHBondContact O-N 2.75Å; A67-A132 VanDerWaalsContact O-O 3.05Å; A67-V134 HydrophobicContact CB-CG2 3.31Å |
| 68 | A | 85.6 | Confident | 87.6 | Confident | 67 Ų | 67 | 57.8 Ų | 57.8 | 55% | 0.554 | 31% | 0.309 | S | S | * | . | P | Polyproline II helix | trans | -73.4 | 132.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 69 | P | 86.4 | Confident | 87.4 | Confident | 11 Ų | 11 | 59.4 Ų | 59.4 | 7% | 0.071 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 159.4 | 174.3 | 28.4 | -34.1 | 0 | 0 | 0 | 111.1 | P74 A132 | P69-P74 WeakPolarHBondContact CG-O 3.41Å; P69-A132 HydrophobicContact CB-CB 4.07Å; P69-A132 HydrophobicContact CG-CB 4.39Å |
| 70 | P | 81.7 | Confident | 87.3 | Confident | 44 Ų | 44 | 60.6 Ų | 60.6 | 29% | 0.286 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 148.1 | 180 | 26.6 | -25.4 | 0 | 0 | 0 | 110.5 | D72 A73 Y78 | P70-D72 PolarHBondContact O-N 2.84Å; P70-A73 WeakPolarHBondContact CD-O 3.49Å; P70-A73 HydrophobicContact CG-CB 4.38Å; P70-A73 CarbonylContact O-C 3.58Å; P70-A73 VanDerWaalsContact O-C 3.23Å; P70-A73 PolarHBondContact O-N 3.33Å; P70-A73 VanDerWaalsContact O-N 3.16Å; P70-Y78 WeakPolarHBondContact CB-OH 3.49Å; P70-Y78 WeakPolarHBondContact CD-OH 3.4Å; P70-Y78 HydrophobicContact CG-CE1 4.46Å; P70-Y78 WeakPolarHBondContact CG-OH 3.41Å |
| 71 | L | 82.3 | Confident | 87.2 | Confident | 183 Ų | 183 | 61.5 Ų | 61.5 | 96% | 0.958 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -26.9 | 179.5 | -64.9 | 172.6 | 0 | 0 | 0 | 112.9 | ||
| 72 | D | 83.7 | Confident | 87.2 | Confident | 164 Ų | 164 | 64.4 Ų | 64.4 | 88% | 0.877 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -29.5 | -179.5 | -165.2 | 51.3 | 0 | 0 | 0 | 112.7 | P70 | P70-D72 PolarHBondContact O-N 2.84Š|
| 73 | A | 82.5 | Confident | 87.2 | Confident | 14 Ų | 14 | 64.4 Ų | 64.4 | 12% | 0.116 | 35% | 0.346 | C | S | . | . | trans | -141.7 | 82 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | P70 D75 R76 | P70-A73 WeakPolarHBondContact CD-O 3.49Å; P70-A73 HydrophobicContact CG-CB 4.38Å; P70-A73 CarbonylContact O-C 3.58Å; P70-A73 VanDerWaalsContact O-C 3.23Å; P70-A73 PolarHBondContact O-N 3.33Å; P70-A73 VanDerWaalsContact O-N 3.16Å; A73-D75 PolarHBondContact O-N 2.87Å; A73-D75 VanDerWaalsContact O-N 3.16Å; A73-R76 HydrophobicContact CB-CB 4.21Å; A73-R76 HydrophobicContact CB-CG 4Å; A73-R76 PolarHBondContact O-N 2.86Å | ||
| 74 | P | 81.1 | Confident | 87.1 | Confident | 55 Ų | 55 | 62 Ų | 62 | 36% | 0.357 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -14.5 | -173.7 | 27.2 | -34.9 | 0 | 0 | 0 | 113.7 | P69 P128 G129 | P69-P74 WeakPolarHBondContact CG-O 3.41Å; P74-P128 VanDerWaalsContact O-CA 3.29Å; P74-P128 WeakPolarHBondContact O-CA 3.41Å; P74-G129 PolarHBondContact O-N 2.85Å |
| 75 | D | 82.6 | Confident | 87.1 | Confident | 70 Ų | 70 | 61.7 Ų | 61.7 | 37% | 0.374 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 4.2 | -177 | 63.8 | -38.3 | 0 | 0 | 0 | 113.7 | A73 E122 C125 | A73-D75 PolarHBondContact O-N 2.87Å; A73-D75 VanDerWaalsContact O-N 3.16Å; D75-E122 WeakPolarHBondContact O-CA 3.42Å; D75-C125 WeakPolarHBondContact O-CB 3.42Å |
| 76 | R | 84.1 | Confident | 87 | Confident | 124 Ų | 124 | 58 Ų | 58 | 47% | 0.468 | 32% | 0.319 | S | S | . | . | trans | -113.6 | 129.8 | -175.8 | -65.1 | -174.4 | -176.4 | 177.5 | -2.1 | 112.4 | A73 K121 | A73-R76 HydrophobicContact CB-CB 4.21Å; A73-R76 HydrophobicContact CB-CG 4Å; A73-R76 PolarHBondContact O-N 2.86Å; R76-K121 HydrophobicContact CB-CB 3.87Å; R76-K121 HydrophobicContact CG-CB 4.01Å | ||
| 77 | G | 84.6 | Confident | 87 | Confident | 4 Ų | 4 | 57.2 Ų | 57.2 | 4% | 0.041 | 32% | 0.322 | C | S | . | . | trans | -81.1 | 177.8 | 164.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | K121 W133 | G77-K121 PolarHBondContact N-O 3.4Å; G77-W133 WeakPolarHBondContact CA-O 3.41Å | ||
| 78 | Y | 86.4 | Confident | 87 | Confident | 84 Ų | 84 | 61.4 Ų | 61.4 | 33% | 0.329 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 142 | -175.4 | -65.9 | -89 | 0 | 0 | 0 | 111.6 | P70 W133 V134 L135 | P70-Y78 WeakPolarHBondContact CB-OH 3.49Å; P70-Y78 WeakPolarHBondContact CD-OH 3.4Å; P70-Y78 HydrophobicContact CG-CE1 4.46Å; P70-Y78 WeakPolarHBondContact CG-OH 3.41Å; Y78-W133 PolarHBondContact N-O 2.86Å; Y78-V134 HydrophobicContact CD2-CG2 3.92Å; Y78-V134 HydrophobicContact CG-CG2 4.36Å; Y78-V134 WeakPolarHBondContact O-CA 3.47Å; Y78-L135 PolarHBondContact O-N 2.99Å |
| 79 | V | 89.9 | Confident | 86.8 | Confident | 34 Ų | 34 | 58.6 Ų | 58.6 | 21% | 0.206 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 118.8 | 165.7 | -174.8 | 0 | 0 | 0 | 0 | 106.3 | L113 I119 L124 L135 | V79-L113 HydrophobicContact CG1-CD1 3.87Å; V79-L113 HydrophobicContact CG1-CD2 4.44Å; V79-I119 HydrophobicContact CG2-CD1 4.24Å; V79-L124 HydrophobicContact CG2-CD1 3.82Å; V79-L135 WeakPolarHBondContact CA-O 3.44Å; V79-L135 HydrophobicContact CG1-CB 4.44Å; V79-L135 HydrophobicContact CG2-CB 4.42Å; V79-L135 HydrophobicContact CG2-CD1 4.37Å |
| 80 | V | 91.9 | Very high | 86.6 | Confident | 63 Ų | 63 | 59.1 Ų | 59.1 | 38% | 0.382 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 98 | -176.8 | -176.1 | 0 | 0 | 0 | 0 | 107.6 | V134 L135 Y136 C137 | V80-V134 HydrophobicContact CG2-CG1 4.42Å; V80-L135 PolarHBondContact N-O 3.26Å; V80-Y136 HydrophobicContact CB-CD1 3.97Å; V80-Y136 HydrophobicContact CB-CE1 4.24Å; V80-Y136 HydrophobicContact CG1-CD1 4.36Å; V80-Y136 HydrophobicContact CG2-CE1 4.34Å; V80-C137 PolarHBondContact O-N 3.36Å |
| 81 | P | 93.7 | Very high | 86.6 | Confident | 19 Ų | 19 | 63.2 Ų | 63.2 | 12% | 0.123 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 140.7 | 171.4 | 34.7 | -36.1 | 0 | 0 | 0 | 110.2 | I109 A110 L113 C137 | P81-I109 HydrophobicContact CB-CB 4.34Å; P81-I109 HydrophobicContact CB-CG2 3.63Å; P81-I109 HydrophobicContact CG-CG2 4.16Å; P81-A110 HydrophobicContact CG-CB 3.74Å; P81-L113 HydrophobicContact CB-CD1 3.93Å; P81-L113 HydrophobicContact CG-CD1 3.78Å; P81-C137 CarbonylContact C-O 3.49Å; P81-C137 WeakPolarHBondContact CA-O 3.46Å |
| 82 | N | 94.4 | Very high | 86.6 | Confident | 73 Ų | 73 | 61.7 Ų | 61.7 | 39% | 0.39 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 128.3 | 173.2 | 176.8 | 56.4 | 0 | 0 | 0 | 108.6 | C137 D138 L139 | N82-C137 PolarHBondContact N-O 3.44Å; N82-D138 PolarHBondContact ND2-OD1 2.93Å; N82-L139 PolarHBondContact O-N 3.19Å |
| 83 | V | 93.3 | Very high | 86.6 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 122 | 175.5 | -175.2 | 0 | 0 | 0 | 0 | 109.7 | L85 T105 S106 I109 L139 | V83-L85 HydrophobicContact CG1-CD2 4.36Å; V83-T105 HydrophobicContact CB-CG2 4.1Å; V83-T105 HydrophobicContact CG1-CG2 3.88Å; V83-T105 HydrophobicContact CG2-CG2 3.89Å; V83-S106 WeakPolarHBondContact CA-OG 3.29Å; V83-S106 WeakPolarHBondContact CB-OG 3.25Å; V83-S106 PolarHBondContact N-OG 2.87Å; V83-S106 PolarHBondContact O-OG 3.14Å; V83-I109 HydrophobicContact CG2-CD1 3.3Å; V83-I109 HydrophobicContact CG2-CG1 4.49Å; V83-L139 CarbonylContact C-O 3.59Å; V83-L139 WeakPolarHBondContact CA-O 3.41Å; V83-L139 HydrophobicContact CG1-CB 4.45Å; V83-L139 HydrophobicContact CG2-CB 4Å; V83-L139 HydrophobicContact CG2-CD1 4.18Å |
| 84 | D | 90.8 | Very high | 86.4 | Confident | 58 Ų | 58 | 65.5 Ų | 65.5 | 31% | 0.31 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 134.2 | 174.3 | -163.5 | -109 | 0 | 0 | 0 | 111 | P86 L139 I140 C141 | D84-P86 VanDerWaalsContact C-CD 3.47Å; D84-P86 VanDerWaalsContact O-CD 3.26Å; D84-P86 WeakPolarHBondContact O-CD 3.02Å; D84-P86 WeakPolarHBondContact OD1-CD 3.27Å; D84-L139 PolarHBondContact N-O 2.94Å; D84-I140 HydrophobicContact CB-CG1 4.43Å; D84-C141 PolarHBondContact O-N 3.3Å |
| 85 | L | 89.6 | Confident | 86.4 | Confident | 12 Ų | 12 | 69 Ų | 69 | 6% | 0.063 | 35% | 0.351 | C | S | . | . | trans | -114.9 | 82.5 | 175.7 | -60 | 178.9 | 0 | 0 | 0 | 108.1 | V83 F93 E101 A102 C141 I148 | V83-L85 HydrophobicContact CG1-CD2 4.36Å; L85-F93 HydrophobicContact CB-CD1 3.93Å; L85-F93 HydrophobicContact CB-CD2 4.36Å; L85-F93 HydrophobicContact CB-CE1 3.89Å; L85-F93 HydrophobicContact CB-CE2 4.32Å; L85-F93 HydrophobicContact CB-CG 4.2Å; L85-F93 HydrophobicContact CB-CZ 4.1Å; L85-F93 HydrophobicContact CD1-CD1 4.45Å; L85-F93 HydrophobicContact CD1-CE1 3.62Å; L85-F93 HydrophobicContact CD1-CZ 3.71Å; L85-F93 HydrophobicContact CG-CE1 4.38Å; L85-F93 HydrophobicContact CG-CZ 4.41Å; L85-E101 HydrophobicContact CD1-CB 4.23Å; L85-E101 HydrophobicContact CD1-CG 4.1Å; L85-A102 HydrophobicContact CB-CB 4.19Å; L85-A102 HydrophobicContact CD1-CB 3.88Å; L85-A102 HydrophobicContact CG-CB 3.85Å; L85-C141 HydrophobicContact CD2-CB 3.42Å; L85-C141 VanDerWaalsContact CD2-CB 3.42Å; L85-I148 HydrophobicContact CD2-CD1 4.25Å; L85-I148 HydrophobicContact CD2-CG1 4.24Å | ||
| 86 | P | 88.7 | Confident | 86.4 | Confident | 25 Ų | 25 | 68.3 Ų | 68.3 | 16% | 0.162 | 36% | 0.36 | C | S | . | . | trans | -66.2 | 163.5 | -179.7 | 26.2 | -35.3 | 0 | 0 | 0 | 111.9 | D84 L88 C89 I140 C141 | D84-P86 VanDerWaalsContact C-CD 3.47Å; D84-P86 VanDerWaalsContact O-CD 3.26Å; D84-P86 WeakPolarHBondContact O-CD 3.02Å; D84-P86 WeakPolarHBondContact OD1-CD 3.27Å; P86-L88 HydrophobicContact CB-CB 4.38Å; P86-L88 HydrophobicContact CG-CB 4.23Å; P86-L88 PolarHBondContact O-N 3.27Å; P86-C89 WeakPolarHBondContact CD-SG 3.43Å; P86-C89 PolarHBondContact O-N 3.45Å; P86-C89 VanDerWaalsContact O-N 3.1Å; P86-C89 PolarHBondContact O-SG 2.97Å; P86-I140 HydrophobicContact CG-CG2 3.79Å; P86-C141 WeakPolarHBondContact CG-O 3.12Å | ||
| 87 | P | 86.5 | Confident | 86.4 | Confident | 62 Ų | 62 | 68 Ų | 68 | 40% | 0.403 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -6.6 | 173.2 | 28.4 | -37.4 | 0 | 0 | 0 | 113.8 | ||
| 88 | L | 86.6 | Confident | 86.4 | Confident | 123 Ų | 123 | 70.8 Ų | 70.8 | 64% | 0.644 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -37.1 | 173.5 | -174.7 | 66.5 | 0 | 0 | 0 | 112.1 | P86 L142 | P86-L88 HydrophobicContact CB-CB 4.38Å; P86-L88 HydrophobicContact CG-CB 4.23Å; P86-L88 PolarHBondContact O-N 3.27Å; L88-L142 CarbonylContact C-O 3.6Å; L88-L142 HydrophobicContact CD2-CD2 4.06Å |
| 89 | C | 82.9 | Confident | 86.4 | Confident | 7 Ų | 7 | 68.8 Ų | 68.8 | 5% | 0.047 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -38 | -172.8 | -23.5 | 0 | 0 | 0 | 0 | 112.3 | P86 F93 C141 L142 Y144 | P86-C89 WeakPolarHBondContact CD-SG 3.43Å; P86-C89 PolarHBondContact O-N 3.45Å; P86-C89 VanDerWaalsContact O-N 3.1Å; P86-C89 PolarHBondContact O-SG 2.97Å; C89-F93 HydrophobicContact CB-CD2 4.11Å; C89-F93 HydrophobicContact CB-CE2 4.17Å; C89-C141 HydrophobicContact CB-CB 4.33Å; C89-C141 PolarHBondContact SG-O 3.2Å; C89-L142 VanDerWaalsContact CA-O 3.31Å; C89-L142 WeakPolarHBondContact CA-O 3.18Å; C89-Y144 PolarHBondContact O-N 2.91Å |
| 90 | S | 82 | Confident | 86.3 | Confident | 23 Ų | 23 | 75 Ų | 75 | 16% | 0.161 | 42% | 0.423 | C | S | . | . | trans | -159 | 153.4 | 175.1 | 81.1 | 0 | 0 | 0 | 0 | 110.3 | R92 F93 | S90-R92 PolarHBondContact O-N 3.42Å; S90-R92 WeakPolarHBondContact OG-CB 3.3Å; S90-R92 PolarHBondContact OG-N 3.01Å; S90-F93 PolarHBondContact O-N 3.39Å; S90-F93 VanDerWaalsContact O-N 3.15Å; S90-F93 WeakPolarHBondContact OG-CD2 3.35Å; S90-F93 WeakPolarHBondContact OG-CE2 3.46Å | ||
| 91 | S | 82.2 | Confident | 86.1 | Confident | 129 Ų | 129 | 75 Ų | 75 | 90% | 0.902 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -5.8 | 172.8 | 57 | 0 | 0 | 0 | 0 | 113.9 | ||
| 92 | R | 81 | Confident | 85.9 | Confident | 152 Ų | 152 | 74.2 Ų | 74.2 | 57% | 0.574 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -29.6 | 176.1 | -51.4 | 177.4 | 77.6 | 174.2 | 6.1 | 111.3 | S90 H216 | S90-R92 PolarHBondContact O-N 3.42Å; S90-R92 WeakPolarHBondContact OG-CB 3.3Å; S90-R92 PolarHBondContact OG-N 3.01Å; R92-H216 PolarHBondContact NH2-ND1 3.13Å |
| 93 | F | 83.1 | Confident | 85.8 | Confident | 30 Ų | 30 | 75.9 Ų | 75.9 | 13% | 0.132 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -79.9 | 134.7 | 179.2 | -61.3 | -64.4 | 0 | 0 | 0 | 110.1 | L85 C89 S90 Y144 | L85-F93 HydrophobicContact CB-CD1 3.93Å; L85-F93 HydrophobicContact CB-CD2 4.36Å; L85-F93 HydrophobicContact CB-CE1 3.89Å; L85-F93 HydrophobicContact CB-CE2 4.32Å; L85-F93 HydrophobicContact CB-CG 4.2Å; L85-F93 HydrophobicContact CB-CZ 4.1Å; L85-F93 HydrophobicContact CD1-CD1 4.45Å; L85-F93 HydrophobicContact CD1-CE1 3.62Å; L85-F93 HydrophobicContact CD1-CZ 3.71Å; L85-F93 HydrophobicContact CG-CE1 4.38Å; L85-F93 HydrophobicContact CG-CZ 4.41Å; C89-F93 HydrophobicContact CB-CD2 4.11Å; C89-F93 HydrophobicContact CB-CE2 4.17Å; S90-F93 PolarHBondContact O-N 3.39Å; S90-F93 VanDerWaalsContact O-N 3.15Å; S90-F93 WeakPolarHBondContact OG-CD2 3.35Å; S90-F93 WeakPolarHBondContact OG-CE2 3.46Å; F93-Y144 HydrophobicContact CE2-CD2 4.16Å; F93-Y144 HydrophobicContact CE2-CG 4.06Å; F93-Y144 HydrophobicContact CZ-CD2 4.2Å; F93-Y144 HydrophobicContact CZ-CE2 4.3Å; F93-Y144 HydrophobicContact CZ-CG 4.44Å |
| 94 | R | 79.9 | Confident | 85.7 | Confident | 228 Ų | 228 | 78.9 Ų | 78.9 | 86% | 0.86 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -100.8 | 145.6 | 179.4 | -67 | -175.4 | -177.3 | 173.5 | 2.1 | 109.6 | G96 | R94-G96 PolarHBondContact O-N 2.97Š|
| 95 | T | 81.5 | Confident | 85.8 | Confident | 128 Ų | 128 | 76.2 Ų | 76.2 | 79% | 0.785 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -64.5 | 127.2 | 168 | -40.4 | 0 | 0 | 0 | 0 | 109.4 | ||
| 96 | G | 82.6 | Confident | 86 | Confident | 56 Ų | 56 | 76.6 Ų | 76.6 | 58% | 0.577 | 43% | 0.427 | S | S | * | . | S | Bend | trans | 148 | -154.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R94 | R94-G96 PolarHBondContact O-N 2.97Š|
| 97 | P | 84.1 | Confident | 86.1 | Confident | 117 Ų | 117 | 80.5 Ų | 80.5 | 76% | 0.76 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -60.6 | 155.7 | 176.5 | 27.9 | -34.8 | 0 | 0 | 0 | 111 | G99 | P97-G99 PolarHBondContact O-N 3.13Š|
| 98 | P | 84.1 | Confident | 86.4 | Confident | 63 Ų | 63 | 77.9 Ų | 77.9 | 41% | 0.409 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 131.2 | -177.5 | 24.1 | -33.7 | 0 | 0 | 0 | 110.2 | A102 Q103 | P98-A102 HydrophobicContact CB-CB 4.21Å; P98-Q103 HydrophobicContact CB-CG 4.1Å; P98-Q103 HydrophobicContact CG-CG 4.14Å; P98-Q103 PolarHBondContact O-NE2 3.43Å |
| 99 | G | 86.4 | Confident | 86.7 | Confident | 41 Ų | 41 | 72 Ų | 72 | 42% | 0.423 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 167.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | P97 E101 A102 Q103 | P97-G99 PolarHBondContact O-N 3.13Å; G99-E101 VanDerWaalsContact C-N 3.31Å; G99-E101 PolarHBondContact O-N 3.31Å; G99-A102 PolarHBondContact O-N 3.38Å; G99-A102 VanDerWaalsContact O-N 3.16Å; G99-Q103 WeakPolarHBondContact O-CG 3.41Å; G99-Q103 PolarHBondContact O-N 2.9Å |
| 100 | E | 88.3 | Confident | 87.1 | Confident | 166 Ų | 166 | 73.1 Ų | 73.1 | 78% | 0.776 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -54.5 | -45.8 | -179.2 | -175.9 | 175.3 | -172.7 | 0 | 0 | 112.3 | A102 Q103 V104 | E100-A102 PolarHBondContact O-N 2.94Å; E100-Q103 PolarHBondContact O-N 3.48Å; E100-V104 HydrophobicContact CG-CG2 4.49Å; E100-V104 WeakPolarHBondContact O-CG2 3.45Å; E100-V104 PolarHBondContact O-N 3.43Å |
| 101 | E | 87.3 | Confident | 87.6 | Confident | 63 Ų | 63 | 75.2 Ų | 75.2 | 29% | 0.294 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.9 | -39.2 | 179.4 | -170.7 | 179 | 179.7 | 0 | 0 | 113 | L85 G99 V104 T105 Y144 | L85-E101 HydrophobicContact CD1-CB 4.23Å; L85-E101 HydrophobicContact CD1-CG 4.1Å; G99-E101 VanDerWaalsContact C-N 3.31Å; G99-E101 PolarHBondContact O-N 3.31Å; E101-V104 PolarHBondContact O-N 3.24Å; E101-T105 VanDerWaalsContact O-CB 3.29Å; E101-T105 WeakPolarHBondContact O-CB 3.28Å; E101-T105 PolarHBondContact O-N 3.05Å; E101-T105 PolarHBondContact O-OG1 3.22Å; E101-Y144 VanDerWaalsContact OE1-CE2 3.27Å; E101-Y144 WeakPolarHBondContact OE1-CE2 3.23Å; E101-Y144 VanDerWaalsContact OE1-CZ 3.24Å; E101-Y144 PolarHBondContact OE1-OH 2.93Å |
| 102 | A | 89.3 | Confident | 88 | Confident | 2 Ų | 2 | 69.2 Ų | 69.2 | 2% | 0.017 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65.8 | -40.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L85 P98 G99 E100 T105 S106 | L85-A102 HydrophobicContact CB-CB 4.19Å; L85-A102 HydrophobicContact CD1-CB 3.88Å; L85-A102 HydrophobicContact CG-CB 3.85Å; P98-A102 HydrophobicContact CB-CB 4.21Å; G99-A102 PolarHBondContact O-N 3.38Å; G99-A102 VanDerWaalsContact O-N 3.16Å; E100-A102 PolarHBondContact O-N 2.94Å; A102-T105 PolarHBondContact O-N 2.96Å; A102-S106 WeakPolarHBondContact O-CB 3.33Å; A102-S106 PolarHBondContact O-N 2.85Å; A102-S106 PolarHBondContact O-OG 2.94Å |
| 103 | Q | 91.4 | Very high | 88.3 | Confident | 108 Ų | 108 | 63 Ų | 63 | 51% | 0.505 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -67.4 | -45 | 176.9 | -66.2 | 179 | 19.9 | 0 | 0 | 111.8 | P98 G99 E100 T105 S106 Q107 | P98-Q103 HydrophobicContact CB-CG 4.1Å; P98-Q103 HydrophobicContact CG-CG 4.14Å; P98-Q103 PolarHBondContact O-NE2 3.43Å; G99-Q103 WeakPolarHBondContact O-CG 3.41Å; G99-Q103 PolarHBondContact O-N 2.9Å; E100-Q103 PolarHBondContact O-N 3.48Å; Q103-T105 VanDerWaalsContact C-N 3.32Å; Q103-T105 PolarHBondContact O-N 3.48Å; Q103-S106 PolarHBondContact O-N 3.29Å; Q103-Q107 PolarHBondContact O-N 3.14Å |
| 104 | V | 92.2 | Very high | 88.6 | Confident | 63 Ų | 63 | 66.7 Ų | 66.7 | 38% | 0.382 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 176.1 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | E100 E101 Q107 F108 | E100-V104 HydrophobicContact CG-CG2 4.49Å; E100-V104 WeakPolarHBondContact O-CG2 3.45Å; E100-V104 PolarHBondContact O-N 3.43Å; E101-V104 PolarHBondContact O-N 3.24Å; V104-Q107 PolarHBondContact O-N 3.01Å; V104-F108 VanDerWaalsContact O-CB 3.25Å; V104-F108 WeakPolarHBondContact O-CB 3.33Å; V104-F108 PolarHBondContact O-N 2.9Å |
| 105 | T | 91.7 | Very high | 88.9 | Confident | 3 Ų | 3 | 60.3 Ų | 60.3 | 2% | 0.018 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65 | -42.6 | 177.8 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | V83 E101 A102 Q103 F108 I109 L149 | V83-T105 HydrophobicContact CB-CG2 4.1Å; V83-T105 HydrophobicContact CG1-CG2 3.88Å; V83-T105 HydrophobicContact CG2-CG2 3.89Å; E101-T105 VanDerWaalsContact O-CB 3.29Å; E101-T105 WeakPolarHBondContact O-CB 3.28Å; E101-T105 PolarHBondContact O-N 3.05Å; E101-T105 PolarHBondContact O-OG1 3.22Å; A102-T105 PolarHBondContact O-N 2.96Å; Q103-T105 VanDerWaalsContact C-N 3.32Å; Q103-T105 PolarHBondContact O-N 3.48Å; T105-F108 PolarHBondContact O-N 3.04Å; T105-I109 HydrophobicContact CG2-CD1 4.25Å; T105-I109 WeakPolarHBondContact O-CG1 3.38Å; T105-I109 PolarHBondContact O-N 2.81Å; T105-L149 HydrophobicContact CG2-CD2 3.96Å |
| 106 | S | 93.5 | Very high | 88.9 | Confident | 19 Ų | 19 | 54.5 Ų | 54.5 | 13% | 0.133 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.5 | -47.1 | 176 | -61.1 | 0 | 0 | 0 | 0 | 111.8 | V83 A102 Q103 I109 A110 | V83-S106 WeakPolarHBondContact CA-OG 3.29Å; V83-S106 WeakPolarHBondContact CB-OG 3.25Å; V83-S106 PolarHBondContact N-OG 2.87Å; V83-S106 PolarHBondContact O-OG 3.14Å; A102-S106 WeakPolarHBondContact O-CB 3.33Å; A102-S106 PolarHBondContact O-N 2.85Å; A102-S106 PolarHBondContact O-OG 2.94Å; Q103-S106 PolarHBondContact O-N 3.29Å; S106-I109 PolarHBondContact O-N 3.12Å; S106-A110 PolarHBondContact O-N 3.44Å |
| 107 | Q | 92.5 | Very high | 88.8 | Confident | 108 Ų | 108 | 58.7 Ų | 58.7 | 51% | 0.505 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.5 | -42.6 | 176.8 | -176.2 | 60.2 | 36.7 | 0 | 0 | 111.5 | Q103 V104 I109 A110 D111 | Q103-Q107 PolarHBondContact O-N 3.14Å; V104-Q107 PolarHBondContact O-N 3.01Å; Q107-I109 VanDerWaalsContact C-N 3.31Å; Q107-I109 PolarHBondContact O-N 3.27Å; Q107-A110 WeakPolarHBondContact O-CB 3.37Å; Q107-A110 PolarHBondContact O-N 3.45Å; Q107-A110 VanDerWaalsContact O-N 3.14Å; Q107-D111 PolarHBondContact NE2-OD1 3.29Å; Q107-D111 VanDerWaalsContact O-CG 3.27Å; Q107-D111 PolarHBondContact O-N 3.04Å |
| 108 | F | 92.8 | Very high | 88.7 | Confident | 6 Ų | 6 | 53.2 Ų | 53.2 | 3% | 0.026 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59 | -42.8 | 178.1 | 173.8 | -100.3 | 0 | 0 | 0 | 111.7 | V104 T105 D111 V112 L149 T223 V225 H236 | V104-F108 VanDerWaalsContact O-CB 3.25Å; V104-F108 WeakPolarHBondContact O-CB 3.33Å; V104-F108 PolarHBondContact O-N 2.9Å; T105-F108 PolarHBondContact O-N 3.04Å; F108-D111 PolarHBondContact O-N 3.47Å; F108-V112 HydrophobicContact CD1-CG2 4.28Å; F108-V112 HydrophobicContact CE1-CG2 3.9Å; F108-V112 HydrophobicContact CE2-CG2 4.16Å; F108-V112 HydrophobicContact CZ-CG2 3.84Å; F108-V112 VanDerWaalsContact O-CG2 3.28Å; F108-V112 WeakPolarHBondContact O-CG2 3.26Å; F108-V112 PolarHBondContact O-N 2.85Å; F108-L149 HydrophobicContact CB-CD2 4.3Å; F108-L149 HydrophobicContact CD1-CB 4.48Å; F108-L149 HydrophobicContact CD1-CD2 3.54Å; F108-L149 HydrophobicContact CD1-CG 4.5Å; F108-L149 HydrophobicContact CE1-CB 4.15Å; F108-L149 HydrophobicContact CE1-CD2 4.04Å; F108-L149 HydrophobicContact CG-CD2 4.01Å; F108-T223 HydrophobicContact CE1-CG2 4.31Å; F108-T223 HydrophobicContact CE2-CG2 4.47Å; F108-T223 HydrophobicContact CZ-CG2 3.71Å; F108-V225 HydrophobicContact CE1-CG2 4.32Å; F108-V225 HydrophobicContact CE2-CG2 4.24Å; F108-V225 HydrophobicContact CZ-CG2 3.5Å; F108-V225 VanDerWaalsContact CZ-CG2 3.5Å; F108-H236 HydrophobicContact CD2-CB 3.76Å; F108-H236 AromaticContact CD2-CG 3.91Å; F108-H236 HydrophobicContact CE2-CB 3.49Å; F108-H236 VanDerWaalsContact CE2-CB 3.49Å |
| 109 | I | 92.3 | Very high | 88.6 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.4 | -38.6 | 176.6 | -67 | 175 | 0 | 0 | 0 | 111.5 | P81 V83 T105 S106 Q107 D111 V112 L113 L139 C152 L156 | P81-I109 HydrophobicContact CB-CB 4.34Å; P81-I109 HydrophobicContact CB-CG2 3.63Å; P81-I109 HydrophobicContact CG-CG2 4.16Å; V83-I109 HydrophobicContact CG2-CD1 3.3Å; V83-I109 HydrophobicContact CG2-CG1 4.49Å; T105-I109 HydrophobicContact CG2-CD1 4.25Å; T105-I109 WeakPolarHBondContact O-CG1 3.38Å; T105-I109 PolarHBondContact O-N 2.81Å; S106-I109 PolarHBondContact O-N 3.12Å; Q107-I109 VanDerWaalsContact C-N 3.31Å; Q107-I109 PolarHBondContact O-N 3.27Å; I109-D111 VanDerWaalsContact C-N 3.33Å; I109-V112 PolarHBondContact O-N 3.43Å; I109-L113 HydrophobicContact CG2-CD1 4.14Å; I109-L113 WeakPolarHBondContact O-CB 3.34Å; I109-L113 WeakPolarHBondContact O-CG 3.5Å; I109-L113 PolarHBondContact O-N 3.36Å; I109-L139 HydrophobicContact CD1-CD1 4.24Å; I109-L139 HydrophobicContact CD1-CD2 4.25Å; I109-C152 HydrophobicContact CD1-CB 3.52Å; I109-C152 HydrophobicContact CG1-CB 4.45Å; I109-L156 HydrophobicContact CG2-CD2 3.42Å; I109-L156 VanDerWaalsContact CG2-CD2 3.42Å |
| 110 | A | 92 | Very high | 88.4 | Confident | 30 Ų | 30 | 52.6 Ų | 52.6 | 25% | 0.248 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.1 | -44.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | P81 S106 Q107 V112 L113 E114 | P81-A110 HydrophobicContact CG-CB 3.74Å; S106-A110 PolarHBondContact O-N 3.44Å; Q107-A110 WeakPolarHBondContact O-CB 3.37Å; Q107-A110 PolarHBondContact O-N 3.45Å; Q107-A110 VanDerWaalsContact O-N 3.14Å; A110-V112 VanDerWaalsContact C-N 3.35Å; A110-V112 PolarHBondContact O-N 3.11Å; A110-L113 PolarHBondContact O-N 3.23Å; A110-E114 PolarHBondContact O-N 3.03Å |
| 111 | D | 90.9 | Very high | 88.2 | Confident | 67 Ų | 67 | 47.6 Ų | 47.6 | 36% | 0.358 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.9 | -40.9 | 176 | -65.3 | -18.9 | 0 | 0 | 0 | 111.1 | Q107 F108 I109 E114 N115 | Q107-D111 PolarHBondContact NE2-OD1 3.29Å; Q107-D111 VanDerWaalsContact O-CG 3.27Å; Q107-D111 PolarHBondContact O-N 3.04Å; F108-D111 PolarHBondContact O-N 3.47Å; I109-D111 VanDerWaalsContact C-N 3.33Å; D111-E114 PolarHBondContact O-N 3.45Å; D111-N115 VanDerWaalsContact O-CB 3.27Å; D111-N115 WeakPolarHBondContact O-CB 3.32Å; D111-N115 PolarHBondContact O-N 2.77Å; D111-N115 PolarHBondContact O-ND2 3.15Å |
| 112 | V | 90.6 | Very high | 88.1 | Confident | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.012 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.4 | -46.7 | 175.6 | 169 | 0 | 0 | 0 | 0 | 110.5 | F108 I109 A110 E114 N115 S116 T153 P193 V225 | F108-V112 HydrophobicContact CD1-CG2 4.28Å; F108-V112 HydrophobicContact CE1-CG2 3.9Å; F108-V112 HydrophobicContact CE2-CG2 4.16Å; F108-V112 HydrophobicContact CZ-CG2 3.84Å; F108-V112 VanDerWaalsContact O-CG2 3.28Å; F108-V112 WeakPolarHBondContact O-CG2 3.26Å; F108-V112 PolarHBondContact O-N 2.85Å; I109-V112 PolarHBondContact O-N 3.43Å; A110-V112 VanDerWaalsContact C-N 3.35Å; A110-V112 PolarHBondContact O-N 3.11Å; V112-E114 VanDerWaalsContact C-N 3.35Å; V112-E114 PolarHBondContact O-N 2.85Å; V112-N115 PolarHBondContact O-N 3.45Å; V112-S116 VanDerWaalsContact O-CB 3.24Å; V112-S116 WeakPolarHBondContact O-CB 3.49Å; V112-S116 PolarHBondContact O-N 2.83Å; V112-S116 PolarHBondContact O-OG 3.14Å; V112-T153 HydrophobicContact CG1-CG2 4.48Å; V112-P193 HydrophobicContact CG1-CB 4.26Å; V112-P193 HydrophobicContact CG1-CG 4.24Å; V112-V225 HydrophobicContact CG1-CG1 4.08Å; V112-V225 HydrophobicContact CG2-CB 4.47Å; V112-V225 HydrophobicContact CG2-CG1 4.33Å; V112-V225 HydrophobicContact CG2-CG2 3.83Å |
| 113 | L | 88.9 | Confident | 87.8 | Confident | 22 Ų | 22 | 54 Ų | 54 | 12% | 0.115 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.3 | -42 | 178.4 | -81.3 | 165.3 | 0 | 0 | 0 | 112.5 | V79 P81 I109 A110 Q117 I118 L156 L160 | V79-L113 HydrophobicContact CG1-CD1 3.87Å; V79-L113 HydrophobicContact CG1-CD2 4.44Å; P81-L113 HydrophobicContact CB-CD1 3.93Å; P81-L113 HydrophobicContact CG-CD1 3.78Å; I109-L113 HydrophobicContact CG2-CD1 4.14Å; I109-L113 WeakPolarHBondContact O-CB 3.34Å; I109-L113 WeakPolarHBondContact O-CG 3.5Å; I109-L113 PolarHBondContact O-N 3.36Å; A110-L113 PolarHBondContact O-N 3.23Å; L113-Q117 PolarHBondContact O-N 3.37Å; L113-I118 HydrophobicContact CD2-CD1 3.69Å; L113-I118 HydrophobicContact CD2-CG1 4.2Å; L113-L156 HydrophobicContact CD1-CD2 3.93Å; L113-L156 HydrophobicContact CD2-CD2 4.05Å; L113-L156 HydrophobicContact CG-CD2 3.97Å; L113-L160 HydrophobicContact CD2-CD1 4.26Å |
| 114 | E | 87.6 | Confident | 87.4 | Confident | 108 Ų | 108 | 49 Ų | 49 | 51% | 0.505 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -68.7 | -45.5 | 178.3 | -163.5 | 69.6 | -140.4 | 0 | 0 | 111.8 | A110 D111 V112 K121 | A110-E114 PolarHBondContact O-N 3.03Å; D111-E114 PolarHBondContact O-N 3.45Å; V112-E114 VanDerWaalsContact C-N 3.35Å; V112-E114 PolarHBondContact O-N 2.85Å; E114-K121 IonicContact OE1-NZ 2.94Å; E114-K121 PolarHBondContact OE1-NZ 3.26Å; E114-K121 IonicContact OE2-NZ 3.82Å; E114-K121 PolarHBondContact OE2-NZ 3.04Å |
| 115 | N | 86.9 | Confident | 86.9 | Confident | 94 Ų | 94 | 47.4 Ų | 47.4 | 50% | 0.503 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -71.8 | -37.1 | -176 | -72.7 | -45.9 | 0 | 0 | 0 | 113.1 | D111 V112 | D111-N115 VanDerWaalsContact O-CB 3.27Å; D111-N115 WeakPolarHBondContact O-CB 3.32Å; D111-N115 PolarHBondContact O-N 2.77Å; D111-N115 PolarHBondContact O-ND2 3.15Å; V112-N115 PolarHBondContact O-N 3.45Å |
| 116 | S | 80.6 | Confident | 86.5 | Confident | 6 Ų | 6 | 49.5 Ų | 49.5 | 4% | 0.042 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -84 | -15.3 | -176.4 | 58.8 | 0 | 0 | 0 | 0 | 113.8 | V112 I118 T191 | V112-S116 VanDerWaalsContact O-CB 3.24Å; V112-S116 WeakPolarHBondContact O-CB 3.49Å; V112-S116 PolarHBondContact O-N 2.83Å; V112-S116 PolarHBondContact O-OG 3.14Å; S116-I118 PolarHBondContact O-N 3.33Å; S116-I118 VanDerWaalsContact O-N 3.15Å; S116-I118 WeakPolarHBondContact OG-CG1 3.41Å; S116-T191 PolarHBondContact O-OG1 2.8Å |
| 117 | Q | 81.6 | Confident | 86 | Confident | 143 Ų | 143 | 49.9 Ų | 49.9 | 67% | 0.668 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 39.9 | -178.3 | -59.5 | -175.2 | -18.6 | 0 | 0 | 113 | L113 I119 | L113-Q117 PolarHBondContact O-N 3.37Å; Q117-I119 PolarHBondContact O-N 3.05Å; Q117-I119 VanDerWaalsContact O-N 3.1Å |
| 118 | I | 81.5 | Confident | 85.4 | Confident | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | trans | -47.4 | -44.1 | -178.6 | -48.8 | -168.2 | 0 | 0 | 0 | 110.9 | L113 S116 L157 L160 V189 R190 T191 P193 | L113-I118 HydrophobicContact CD2-CD1 3.69Å; L113-I118 HydrophobicContact CD2-CG1 4.2Å; S116-I118 PolarHBondContact O-N 3.33Å; S116-I118 VanDerWaalsContact O-N 3.15Å; S116-I118 WeakPolarHBondContact OG-CG1 3.41Å; I118-L157 HydrophobicContact CD1-CD2 3.9Å; I118-L157 HydrophobicContact CG2-CD2 4.39Å; I118-L160 HydrophobicContact CD1-CD1 4.46Å; I118-L160 HydrophobicContact CG2-CD1 4.12Å; I118-V189 HydrophobicContact CG2-CB 4.38Å; I118-V189 HydrophobicContact CG2-CG1 3.48Å; I118-V189 VanDerWaalsContact CG2-CG1 3.48Å; I118-V189 HydrophobicContact CG2-CG2 4.31Å; I118-R190 PolarHBondContact O-N 2.85Å; I118-R190 VanDerWaalsContact O-N 3.08Å; I118-T191 WeakPolarHBondContact CA-OG1 3.32Å; I118-P193 HydrophobicContact CD1-CG 3.42Å; I118-P193 VanDerWaalsContact CD1-CG 3.42Å; I118-P193 HydrophobicContact CG1-CG 3.81Å | ||
| 119 | I | 82.8 | Confident | 84.8 | Confident | 15 Ų | 15 | 51 Ų | 51 | 8% | 0.077 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -124.7 | 133.6 | -178.3 | -54.4 | 151.5 | 0 | 0 | 0 | 107.6 | V79 Q117 K121 L124 L135 L160 L187 | V79-I119 HydrophobicContact CG2-CD1 4.24Å; Q117-I119 PolarHBondContact O-N 3.05Å; Q117-I119 VanDerWaalsContact O-N 3.1Å; I119-K121 PolarHBondContact O-N 2.99Å; I119-L124 HydrophobicContact CG2-CD1 3.97Å; I119-L124 HydrophobicContact CG2-CG 4.14Å; I119-L135 HydrophobicContact CD1-CD1 4.34Å; I119-L160 HydrophobicContact CD1-CD1 4.1Å; I119-L160 HydrophobicContact CD1-CD2 3.65Å; I119-L187 HydrophobicContact CD1-CD2 3.59Å; I119-L187 HydrophobicContact CG1-CD2 3.7Å; I119-L187 HydrophobicContact CG1-CG 4.39Å; I119-L187 HydrophobicContact CG2-CD1 4.14Å; I119-L187 HydrophobicContact CG2-CD2 4.18Å; I119-L187 HydrophobicContact CG2-CG 4.38Å |
| 120 | K | 82.6 | Confident | 84.3 | Confident | 77 Ų | 77 | 57.5 Ų | 57.5 | 34% | 0.335 | 31% | 0.307 | S | S | . | . | trans | -72.8 | 120.9 | 165.8 | -77.3 | -172 | 149.8 | -145 | 0 | 109.3 | E122 D123 R190 | K120-E122 HydrophobicContact CB-CB 4.41Å; K120-E122 IonicContact NZ-OE2 3.38Å; K120-E122 PolarHBondContact NZ-OE2 3.42Å; K120-E122 PolarHBondContact O-N 2.86Å; K120-E122 VanDerWaalsContact O-N 3.08Å; K120-D123 HydrophobicContact CB-CB 4.4Å; K120-D123 WeakPolarHBondContact O-CB 3.4Å; K120-D123 PolarHBondContact O-N 2.93Å; K120-R190 VanDerWaalsContact CD-CZ 3.42Å | ||
| 121 | K | 83.9 | Confident | 83.9 | Confident | 61 Ų | 61 | 57.9 Ų | 57.9 | 27% | 0.265 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -25.1 | 173.2 | -62.8 | 176.2 | 179.7 | 170.4 | 0 | 112.4 | R76 G77 E114 I119 D123 L124 | R76-K121 HydrophobicContact CB-CB 3.87Å; R76-K121 HydrophobicContact CG-CB 4.01Å; G77-K121 PolarHBondContact N-O 3.4Å; E114-K121 IonicContact OE1-NZ 2.94Å; E114-K121 PolarHBondContact OE1-NZ 3.26Å; E114-K121 IonicContact OE2-NZ 3.82Å; E114-K121 PolarHBondContact OE2-NZ 3.04Å; I119-K121 PolarHBondContact O-N 2.99Å; K121-D123 VanDerWaalsContact C-N 3.34Å; K121-L124 PolarHBondContact O-N 2.89Å |
| 122 | E | 84.2 | Confident | 83.8 | Confident | 101 Ų | 101 | 54.7 Ų | 54.7 | 47% | 0.472 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -38.3 | 173.2 | -62.6 | 158.6 | -167.8 | 0 | 0 | 112.9 | D75 K120 L124 C125 | D75-E122 WeakPolarHBondContact O-CA 3.42Å; K120-E122 HydrophobicContact CB-CB 4.41Å; K120-E122 IonicContact NZ-OE2 3.38Å; K120-E122 PolarHBondContact NZ-OE2 3.42Å; K120-E122 PolarHBondContact O-N 2.86Å; K120-E122 VanDerWaalsContact O-N 3.08Å; E122-L124 PolarHBondContact O-N 2.92Å; E122-C125 WeakPolarHBondContact O-CB 3.46Å; E122-C125 PolarHBondContact O-N 2.95Å; E122-C125 VanDerWaalsContact O-N 3.15Å |
| 123 | D | 83.2 | Confident | 83.6 | Confident | 99 Ų | 99 | 55.5 Ų | 55.5 | 53% | 0.529 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -20.8 | -177.5 | -163.9 | 42.6 | 0 | 0 | 0 | 112.2 | K120 K121 C125 | K120-D123 HydrophobicContact CB-CB 4.4Å; K120-D123 WeakPolarHBondContact O-CB 3.4Å; K120-D123 PolarHBondContact O-N 2.93Å; K121-D123 VanDerWaalsContact C-N 3.34Å; D123-C125 VanDerWaalsContact C-N 3.34Å |
| 124 | L | 83.2 | Confident | 83.7 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -8.8 | 176.1 | -65.9 | 171.2 | 0 | 0 | 0 | 112.2 | V79 I119 K121 E122 W133 L135 L165 L187 | V79-L124 HydrophobicContact CG2-CD1 3.82Å; I119-L124 HydrophobicContact CG2-CD1 3.97Å; I119-L124 HydrophobicContact CG2-CG 4.14Å; K121-L124 PolarHBondContact O-N 2.89Å; E122-L124 PolarHBondContact O-N 2.92Å; L124-W133 HydrophobicContact CB-CB 4.08Å; L124-W133 HydrophobicContact CD2-CB 3.93Å; L124-W133 WeakPolarHBondContact O-CB 3.21Å; L124-W133 PolarHBondContact O-N 3.31Å; L124-L135 HydrophobicContact CD1-CD1 4.21Å; L124-L135 HydrophobicContact CD1-CG 4.49Å; L124-L135 HydrophobicContact CD2-CD1 3.85Å; L124-L135 HydrophobicContact CD2-CG 4.12Å; L124-L165 HydrophobicContact CD2-CD1 4.24Å; L124-L187 HydrophobicContact CD2-CD1 3.99Å |
| 125 | C | 82.6 | Confident | 83.9 | Confident | 30 Ų | 30 | 49.5 Ų | 49.5 | 20% | 0.203 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 121.8 | 177.3 | -169.5 | 0 | 0 | 0 | 0 | 110.2 | D75 E122 D123 | D75-C125 WeakPolarHBondContact O-CB 3.42Å; E122-C125 WeakPolarHBondContact O-CB 3.46Å; E122-C125 PolarHBondContact O-N 2.95Å; E122-C125 VanDerWaalsContact O-N 3.15Å; D123-C125 VanDerWaalsContact C-N 3.34Å |
| 126 | I | 82.6 | Confident | 84.2 | Confident | 47 Ų | 47 | 49.1 Ų | 49.1 | 24% | 0.241 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | -47.6 | 176.2 | -55.4 | 163.4 | 0 | 0 | 0 | 108.9 | F66 L131 W133 V168 I170 | F66-I126 HydrophobicContact CD1-CD1 3.66Å; F66-I126 HydrophobicContact CE1-CD1 3.54Å; I126-L131 HydrophobicContact CB-CB 4.47Å; I126-L131 PolarHBondContact N-O 3.46Å; I126-L131 VanDerWaalsContact N-O 3.1Å; I126-W133 HydrophobicContact CD1-CD2 4.45Å; I126-W133 HydrophobicContact CD1-CG 4.35Å; I126-V168 HydrophobicContact CD1-CB 4.07Å; I126-V168 HydrophobicContact CD1-CG1 4.2Å; I126-V168 HydrophobicContact CD1-CG2 4.39Å; I126-V168 HydrophobicContact CG2-CB 4.29Å; I126-V168 HydrophobicContact CG2-CG1 4.37Å; I126-I170 HydrophobicContact CG2-CD1 4.02Å; I126-I170 HydrophobicContact CG2-CG1 4.19Å |
| 127 | S | 82.4 | Confident | 84.8 | Confident | 28 Ų | 28 | 48.9 Ų | 48.9 | 20% | 0.196 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 127.9 | 174.9 | 176.4 | 0 | 0 | 0 | 0 | 110.9 | G129 K130 L131 | S127-G129 PolarHBondContact O-N 3.31Å; S127-K130 PolarHBondContact O-N 3.23Å; S127-K130 VanDerWaalsContact O-N 3.13Å; S127-L131 PolarHBondContact N-O 3.31Å; S127-L131 PolarHBondContact O-N 3.36Å; S127-L131 VanDerWaalsContact O-N 3.14Å |
| 128 | P | 81.4 | Confident | 85.4 | Confident | 92 Ų | 92 | 45.3 Ų | 45.3 | 60% | 0.597 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61 | 126.2 | -172.9 | 24.8 | -33.8 | 0 | 0 | 0 | 110.6 | P74 K130 | P74-P128 VanDerWaalsContact O-CA 3.29Å; P74-P128 WeakPolarHBondContact O-CA 3.41Å; P128-K130 PolarHBondContact O-N 3.28Å |
| 129 | G | 78.9 | Confident | 86 | Confident | 45 Ų | 45 | 45.2 Ų | 45.2 | 46% | 0.464 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | -5.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116 | P74 S127 | P74-G129 PolarHBondContact O-N 2.85Å; S127-G129 PolarHBondContact O-N 3.31Å |
| 130 | K | 82.1 | Confident | 86.5 | Confident | 137 Ų | 137 | 47.6 Ų | 47.6 | 60% | 0.596 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -113 | -55.8 | 179.4 | -70.7 | -175.7 | -179.7 | 177.4 | 0 | 112.7 | S127 P128 | S127-K130 PolarHBondContact O-N 3.23Å; S127-K130 VanDerWaalsContact O-N 3.13Å; P128-K130 PolarHBondContact O-N 3.28Å |
| 131 | L | 84.3 | Confident | 87 | Confident | 38 Ų | 38 | 44 Ų | 44 | 20% | 0.199 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 127.7 | -171.6 | -78.4 | 172.9 | 0 | 0 | 0 | 110.9 | F66 I126 S127 I170 A177 | F66-L131 HydrophobicContact CB-CD2 4.19Å; I126-L131 HydrophobicContact CB-CB 4.47Å; I126-L131 PolarHBondContact N-O 3.46Å; I126-L131 VanDerWaalsContact N-O 3.1Å; S127-L131 PolarHBondContact N-O 3.31Å; S127-L131 PolarHBondContact O-N 3.36Å; S127-L131 VanDerWaalsContact O-N 3.14Å; L131-I170 HydrophobicContact CB-CD1 4.03Å; L131-I170 HydrophobicContact CD1-CD1 3.68Å; L131-I170 HydrophobicContact CD1-CG1 3.94Å; L131-I170 HydrophobicContact CG-CD1 4.32Å; L131-A177 HydrophobicContact CD1-CB 4.23Å |
| 132 | A | 87.3 | Confident | 87.4 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 155.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110 | A67 P69 | A67-A132 PolarHBondContact N-O 3.25Å; A67-A132 PolarHBondContact O-N 2.75Å; A67-A132 VanDerWaalsContact O-O 3.05Å; P69-A132 HydrophobicContact CB-CB 4.07Å; P69-A132 HydrophobicContact CG-CB 4.39Å |
| 133 | W | 88.2 | Confident | 87.8 | Confident | 19 Ų | 19 | 42.9 Ų | 42.9 | 7% | 0.072 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 138.3 | 171.8 | -76 | 110.1 | 0 | 0 | 0 | 111 | A64 F66 G77 Y78 L124 I126 L165 P166 V168 | A64-W133 HydrophobicContact CB-CE3 3.61Å; A64-W133 HydrophobicContact CB-CH2 4.35Å; A64-W133 HydrophobicContact CB-CZ3 3.47Å; A64-W133 VanDerWaalsContact CB-CZ3 3.47Å; F66-W133 HydrophobicContact CD1-CD2 4.14Å; F66-W133 AromaticContact CD1-CE3 3.97Å; F66-W133 HydrophobicContact CD1-CE3 3.97Å; F66-W133 HydrophobicContact CD1-CH2 4.26Å; F66-W133 HydrophobicContact CD1-CZ2 4.4Å; F66-W133 HydrophobicContact CD1-CZ3 4.02Å; F66-W133 AromaticContact CE1-CD2 3.79Å; F66-W133 HydrophobicContact CE1-CD2 3.79Å; F66-W133 AromaticContact CE1-CE2 3.54Å; F66-W133 AromaticContact CE1-CE3 3.74Å; F66-W133 HydrophobicContact CE1-CE3 3.74Å; F66-W133 AromaticContact CE1-CH2 3.29Å; F66-W133 HydrophobicContact CE1-CH2 3.29Å; F66-W133 AromaticContact CE1-CZ2 3.31Å; F66-W133 HydrophobicContact CE1-CZ2 3.31Å; F66-W133 AromaticContact CE1-CZ3 3.49Å; F66-W133 HydrophobicContact CE1-CZ3 3.49Å; F66-W133 VanDerWaalsContact CE1-CZ3 3.49Å; F66-W133 HydrophobicContact CE2-CH2 4.07Å; F66-W133 HydrophobicContact CE2-CZ3 4.21Å; F66-W133 HydrophobicContact CZ-CE3 4.32Å; F66-W133 AromaticContact CZ-CH2 3.17Å; F66-W133 HydrophobicContact CZ-CH2 3.17Å; F66-W133 AromaticContact CZ-CZ2 3.55Å; F66-W133 HydrophobicContact CZ-CZ2 3.55Å; F66-W133 AromaticContact CZ-CZ3 3.6Å; F66-W133 HydrophobicContact CZ-CZ3 3.6Å; G77-W133 WeakPolarHBondContact CA-O 3.41Å; Y78-W133 PolarHBondContact N-O 2.86Å; L124-W133 HydrophobicContact CB-CB 4.08Å; L124-W133 HydrophobicContact CD2-CB 3.93Å; L124-W133 WeakPolarHBondContact O-CB 3.21Å; L124-W133 PolarHBondContact O-N 3.31Å; I126-W133 HydrophobicContact CD1-CD2 4.45Å; I126-W133 HydrophobicContact CD1-CG 4.35Å; W133-L165 HydrophobicContact CD2-CD1 4.41Å; W133-L165 HydrophobicContact CG-CD1 4.37Å; W133-L165 HydrophobicContact CZ2-CB 4.37Å; W133-P166 HydrophobicContact CH2-CG 4.06Å; W133-P166 HydrophobicContact CZ2-CG 4.2Å; W133-V168 HydrophobicContact CH2-CG2 4.43Å; W133-V168 HydrophobicContact CZ2-CG2 3.67Å |
| 134 | V | 90.5 | Very high | 88.1 | Confident | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.024 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 117.5 | 167.6 | -175.3 | 0 | 0 | 0 | 0 | 107.4 | A64 E65 A67 Y78 V80 Y136 | A64-V134 WeakPolarHBondContact CA-O 3.49Å; E65-V134 PolarHBondContact N-O 3.4Å; E65-V134 PolarHBondContact O-N 3.16Å; A67-V134 HydrophobicContact CB-CG2 3.31Å; Y78-V134 HydrophobicContact CD2-CG2 3.92Å; Y78-V134 HydrophobicContact CG-CG2 4.36Å; Y78-V134 WeakPolarHBondContact O-CA 3.47Å; V80-V134 HydrophobicContact CG2-CG1 4.42Å; V134-Y136 HydrophobicContact CB-CE2 4.29Å; V134-Y136 HydrophobicContact CG1-CD1 4.37Å; V134-Y136 HydrophobicContact CG1-CD2 4.16Å; V134-Y136 HydrophobicContact CG1-CE1 3.89Å; V134-Y136 HydrophobicContact CG1-CE2 3.67Å |
| 135 | L | 91.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 107.8 | 173.6 | -59 | -177.3 | 0 | 0 | 0 | 109 | I62 A64 Y78 V79 V80 I119 L124 L165 L187 | I62-L135 HydrophobicContact CG2-CB 4.39Å; I62-L135 HydrophobicContact CG2-CD2 4.49Å; A64-L135 HydrophobicContact CB-CD2 3.69Å; Y78-L135 PolarHBondContact O-N 2.99Å; V79-L135 WeakPolarHBondContact CA-O 3.44Å; V79-L135 HydrophobicContact CG1-CB 4.44Å; V79-L135 HydrophobicContact CG2-CB 4.42Å; V79-L135 HydrophobicContact CG2-CD1 4.37Å; V80-L135 PolarHBondContact N-O 3.26Å; I119-L135 HydrophobicContact CD1-CD1 4.34Å; L124-L135 HydrophobicContact CD1-CD1 4.21Å; L124-L135 HydrophobicContact CD1-CG 4.49Å; L124-L135 HydrophobicContact CD2-CD1 3.85Å; L124-L135 HydrophobicContact CD2-CG 4.12Å; L135-L165 HydrophobicContact CD2-CD1 4.39Å; L135-L165 HydrophobicContact CD2-CD2 4.19Å; L135-L187 HydrophobicContact CD1-CD2 3.92Å |
| 136 | Y | 93.5 | Very high | 88.5 | Confident | 87 Ų | 87 | 40.1 Ų | 40.1 | 34% | 0.341 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 115 | 167.9 | -64.5 | -70.8 | 0 | 0 | 0 | 108.4 | I62 K63 E65 V80 V134 | I62-Y136 VanDerWaalsContact CA-O 3.29Å; I62-Y136 WeakPolarHBondContact CA-O 3.4Å; K63-Y136 PolarHBondContact N-O 3Å; K63-Y136 PolarHBondContact O-N 3.47Å; E65-Y136 HydrophobicContact CB-CD2 4.48Å; E65-Y136 HydrophobicContact CB-CE2 4.05Å; E65-Y136 HydrophobicContact CG-CD2 4.16Å; E65-Y136 HydrophobicContact CG-CE2 4Å; E65-Y136 VanDerWaalsContact OE2-CE2 3.3Å; E65-Y136 WeakPolarHBondContact OE2-CE2 3.42Å; V80-Y136 HydrophobicContact CB-CD1 3.97Å; V80-Y136 HydrophobicContact CB-CE1 4.24Å; V80-Y136 HydrophobicContact CG1-CD1 4.36Å; V80-Y136 HydrophobicContact CG2-CE1 4.34Å; V134-Y136 HydrophobicContact CB-CE2 4.29Å; V134-Y136 HydrophobicContact CG1-CD1 4.37Å; V134-Y136 HydrophobicContact CG1-CD2 4.16Å; V134-Y136 HydrophobicContact CG1-CE1 3.89Å; V134-Y136 HydrophobicContact CG1-CE2 3.67Å |
| 137 | C | 93.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 95.4 | 177.7 | -57.2 | 0 | 0 | 0 | 0 | 107.8 | I62 V80 P81 N82 L156 | I62-C137 HydrophobicContact CG1-CB 4.32Å; V80-C137 PolarHBondContact O-N 3.36Å; P81-C137 CarbonylContact C-O 3.49Å; P81-C137 WeakPolarHBondContact CA-O 3.46Å; N82-C137 PolarHBondContact N-O 3.44Å; C137-L156 HydrophobicContact CB-CD1 3.7Å |
| 138 | D | 94.1 | Very high | 89.2 | Confident | 68 Ų | 68 | 36.9 Ų | 36.9 | 36% | 0.364 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 119.7 | 177.8 | -67.9 | -53.1 | 0 | 0 | 0 | 109.4 | C60 G61 N82 | C60-D138 CarbonylContact C-O 3.6Å; C60-D138 WeakPolarHBondContact CA-O 3.43Å; G61-D138 PolarHBondContact N-O 3.32Å; G61-D138 PolarHBondContact O-N 3.23Å; N82-D138 PolarHBondContact ND2-OD1 2.93Å |
| 139 | L | 94.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 125.7 | 173.7 | -63.6 | 97.3 | 0 | 0 | 0 | 109 | V58 I59 C60 N82 V83 D84 I109 C152 A155 L156 | V58-L139 HydrophobicContact CG1-CB 4.36Å; V58-L139 HydrophobicContact CG1-CD2 4.3Å; I59-L139 CarbonylContact O-C 3.53Å; I59-L139 WeakPolarHBondContact O-CA 3.43Å; C60-L139 HydrophobicContact CB-CD2 4.15Å; C60-L139 HydrophobicContact CB-CG 4.01Å; N82-L139 PolarHBondContact O-N 3.19Å; V83-L139 CarbonylContact C-O 3.59Å; V83-L139 WeakPolarHBondContact CA-O 3.41Å; V83-L139 HydrophobicContact CG1-CB 4.45Å; V83-L139 HydrophobicContact CG2-CB 4Å; V83-L139 HydrophobicContact CG2-CD1 4.18Å; D84-L139 PolarHBondContact N-O 2.94Å; I109-L139 HydrophobicContact CD1-CD1 4.24Å; I109-L139 HydrophobicContact CD1-CD2 4.25Å; L139-C152 HydrophobicContact CD2-CB 3.82Å; L139-C152 VanDerWaalsContact CD2-O 3.22Å; L139-C152 WeakPolarHBondContact CD2-O 3.26Å; L139-A155 HydrophobicContact CD2-CB 4.32Å; L139-L156 HydrophobicContact CD2-CB 4.24Å |
| 140 | I | 93.4 | Very high | 90.3 | Very high | 66 Ų | 66 | 31.8 Ų | 31.8 | 34% | 0.338 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 123.3 | 177.9 | -57.1 | 177.4 | 0 | 0 | 0 | 107.6 | I59 D84 P86 L142 | I59-I140 HydrophobicContact CG2-CB 3.93Å; I59-I140 WeakPolarHBondContact CG2-O 3.41Å; I59-I140 PolarHBondContact N-O 3.2Å; I59-I140 PolarHBondContact O-N 3.5Å; D84-I140 HydrophobicContact CB-CG1 4.43Å; P86-I140 HydrophobicContact CG-CG2 3.79Å; I140-L142 HydrophobicContact CG2-CD2 4.43Å |
| 141 | C | 92.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 132.9 | 168.8 | -167.6 | 0 | 0 | 0 | 0 | 108.7 | V58 D84 L85 P86 C89 D143 I148 | V58-C141 HydrophobicContact CG2-CB 4.39Å; D84-C141 PolarHBondContact O-N 3.3Å; L85-C141 HydrophobicContact CD2-CB 3.42Å; L85-C141 VanDerWaalsContact CD2-CB 3.42Å; P86-C141 WeakPolarHBondContact CG-O 3.12Å; C89-C141 HydrophobicContact CB-CB 4.33Å; C89-C141 PolarHBondContact SG-O 3.2Å; C141-D143 PolarHBondContact SG-O 3.45Å; C141-I148 HydrophobicContact CB-CD1 3.89Å |
| 142 | L | 92.3 | Very high | 91.2 | Very high | 63 Ų | 63 | 23.4 Ų | 23.4 | 33% | 0.33 | 12% | 0.115 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | -39.7 | 176.2 | -61.6 | -179.6 | 0 | 0 | 0 | 111.3 | L50 T57 I59 L88 C89 I140 | L50-L142 HydrophobicContact CD1-CD1 4.19Å; T57-L142 HydrophobicContact CG2-CB 4.35Å; T57-L142 HydrophobicContact CG2-CD1 4.08Å; T57-L142 PolarHBondContact O-N 3.25Å; I59-L142 HydrophobicContact CG2-CD2 4.39Å; I59-L142 HydrophobicContact CG2-CG 4.38Å; L88-L142 CarbonylContact C-O 3.6Å; L88-L142 HydrophobicContact CD2-CD2 4.06Å; C89-L142 VanDerWaalsContact CA-O 3.31Å; C89-L142 WeakPolarHBondContact CA-O 3.18Å; I140-L142 HydrophobicContact CG2-CD2 4.43Å |
| 143 | D | 91.7 | Very high | 91.4 | Very high | 76 Ų | 76 | 23.6 Ų | 23.6 | 41% | 0.406 | 12% | 0.116 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 130.6 | -179.4 | -163.5 | -32.1 | 0 | 0 | 0 | 107.7 | N55 T56 T57 C141 | N55-D143 WeakPolarHBondContact O-CB 3.35Å; T56-D143 CarbonylContact C-O 3.47Å; T56-D143 VanDerWaalsContact CA-O 3.26Å; T56-D143 WeakPolarHBondContact CA-O 3.23Å; T57-D143 PolarHBondContact N-O 3.17Å; T57-D143 PolarHBondContact O-N 3.23Å; C141-D143 PolarHBondContact SG-O 3.45Å |
| 144 | Y | 89.9 | Confident | 91.6 | Very high | 29 Ų | 29 | 23.2 Ų | 23.2 | 11% | 0.114 | 12% | 0.115 | C | C | . | . | trans | -114.2 | 106.9 | -174.3 | -177.7 | -82.6 | 0 | 0 | 0 | 110.1 | C89 F93 E101 I148 | C89-Y144 PolarHBondContact O-N 2.91Å; F93-Y144 HydrophobicContact CE2-CD2 4.16Å; F93-Y144 HydrophobicContact CE2-CG 4.06Å; F93-Y144 HydrophobicContact CZ-CD2 4.2Å; F93-Y144 HydrophobicContact CZ-CE2 4.3Å; F93-Y144 HydrophobicContact CZ-CG 4.44Å; E101-Y144 VanDerWaalsContact OE1-CE2 3.27Å; E101-Y144 WeakPolarHBondContact OE1-CE2 3.23Å; E101-Y144 VanDerWaalsContact OE1-CZ 3.24Å; E101-Y144 PolarHBondContact OE1-OH 2.93Å; Y144-I148 HydrophobicContact CD2-CB 4.29Å; Y144-I148 HydrophobicContact CE2-CB 3.85Å; Y144-I148 HydrophobicContact CE2-CG1 4.45Å; Y144-I148 HydrophobicContact CE2-CG2 4Å | ||
| 145 | D | 87.9 | Confident | 91.7 | Very high | 44 Ų | 44 | 23 Ų | 23 | 24% | 0.235 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -128 | 41.1 | 176.3 | -160.8 | -54.5 | 0 | 0 | 0 | 110.3 | R33 N55 T56 T211 G212 | R33-D145 IonicContact CZ-OD1 2.82Å; R33-D145 PolarHBondContact NH1-O 3.31Å; R33-D145 IonicContact NH1-OD1 3.98Å; R33-D145 PolarHBondContact NH1-OD1 2.92Å; R33-D145 PolarHBondContact NH2-O 3.36Å; N55-D145 HydrophobicContact CB-CB 3.69Å; N55-D145 WeakPolarHBondContact CB-OD2 3.48Å; N55-D145 PolarHBondContact ND2-OD2 3.44Å; T56-D145 VanDerWaalsContact OG1-CA 3.32Å; T56-D145 WeakPolarHBondContact OG1-CA 3.39Å; T56-D145 WeakPolarHBondContact OG1-CB 3.39Å; T56-D145 PolarHBondContact OG1-N 3.45Å; T56-D145 PolarHBondContact OG1-O 3.02Å; D145-T211 WeakPolarHBondContact O-CA 3.18Å; D145-G212 VanDerWaalsContact C-N 3.29Å; D145-G212 PolarHBondContact O-N 3.29Å |
| 146 | G | 86.3 | Confident | 91.7 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.115 | C | C | . | . | S | Bend | trans | 79.5 | 172.8 | -179 | 0 | 0 | 0 | 0 | 0 | 114.1 | T56 I148 | T56-G146 PolarHBondContact OG1-O 3.25Å; G146-I148 PolarHBondContact O-N 2.93Å |
| 147 | N | 88.8 | Confident | 91.6 | Very high | 3 Ų | 3 | 19.2 Ų | 19.2 | 2% | 0.016 | 10% | 0.099 | C | C | . | . | trans | 52.7 | 49.1 | -179.8 | -163.4 | 13.2 | 0 | 0 | 0 | 114.8 | L149 D150 A151 S197 D209 E215 | N147-L149 PolarHBondContact O-N 3.37Å; N147-D150 WeakPolarHBondContact ND2-CB 3.42Å; N147-D150 VanDerWaalsContact ND2-CG 3.31Å; N147-D150 PolarHBondContact ND2-OD2 3.06Å; N147-D150 WeakPolarHBondContact OD1-CB 3.25Å; N147-D150 PolarHBondContact OD1-OD1 2.71Å; N147-D150 PolarHBondContact OD1-OD2 3.31Å; N147-D150 VanDerWaalsContact OD1-OD2 3.08Å; N147-A151 PolarHBondContact O-N 3.47Å; N147-S197 WeakPolarHBondContact OD1-CB 3.47Å; N147-S197 PolarHBondContact OD1-OG 3.27Å; N147-S197 VanDerWaalsContact OD1-OG 3.13Å; N147-D209 WeakPolarHBondContact CB-OD1 3.2Å; N147-D209 PolarHBondContact ND2-OD1 3.47Å; N147-E215 PolarHBondContact N-OE2 3.03Å | ||
| 148 | I | 91.3 | Very high | 91.5 | Very high | 3 Ų | 3 | 19.2 Ų | 19.2 | 2% | 0.015 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -66.4 | -35.7 | -179.9 | -174.5 | 58.2 | 0 | 0 | 0 | 112.7 | V58 L85 C141 Y144 G146 D150 A151 C152 | V58-I148 HydrophobicContact CG2-CD1 3.58Å; L85-I148 HydrophobicContact CD2-CD1 4.25Å; L85-I148 HydrophobicContact CD2-CG1 4.24Å; C141-I148 HydrophobicContact CB-CD1 3.89Å; Y144-I148 HydrophobicContact CD2-CB 4.29Å; Y144-I148 HydrophobicContact CE2-CB 3.85Å; Y144-I148 HydrophobicContact CE2-CG1 4.45Å; Y144-I148 HydrophobicContact CE2-CG2 4Å; G146-I148 PolarHBondContact O-N 2.93Å; I148-D150 PolarHBondContact O-N 2.91Å; I148-A151 WeakPolarHBondContact O-CB 3.35Å; I148-A151 PolarHBondContact O-N 3.49Å; I148-C152 WeakPolarHBondContact O-CB 3.33Å; I148-C152 PolarHBondContact O-N 3.31Å; I148-C152 PolarHBondContact O-SG 3.47Å |
| 149 | L | 91.9 | Very high | 91.3 | Very high | 21 Ų | 21 | 16 Ų | 16 | 11% | 0.11 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -64.1 | -43.4 | -175.5 | -63.1 | 168.2 | 0 | 0 | 0 | 111.9 | T105 F108 N147 T153 T223 | T105-L149 HydrophobicContact CG2-CD2 3.96Å; F108-L149 HydrophobicContact CB-CD2 4.3Å; F108-L149 HydrophobicContact CD1-CB 4.48Å; F108-L149 HydrophobicContact CD1-CD2 3.54Å; F108-L149 HydrophobicContact CD1-CG 4.5Å; F108-L149 HydrophobicContact CE1-CB 4.15Å; F108-L149 HydrophobicContact CE1-CD2 4.04Å; F108-L149 HydrophobicContact CG-CD2 4.01Å; N147-L149 PolarHBondContact O-N 3.37Å; L149-T153 WeakPolarHBondContact O-CB 3.34Å; L149-T153 PolarHBondContact O-N 2.92Å; L149-T153 PolarHBondContact O-OG1 3.25Å; L149-T223 HydrophobicContact CB-CG2 4.2Å; L149-T223 HydrophobicContact CD1-CG2 4.24Å; L149-T223 VanDerWaalsContact CD1-OG1 3.24Å; L149-T223 WeakPolarHBondContact CD1-OG1 3.47Å |
| 150 | D | 91.6 | Very high | 91.1 | Very high | 9 Ų | 9 | 16 Ų | 16 | 5% | 0.048 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -68.5 | -43 | 177.5 | -62.7 | 5.4 | 0 | 0 | 0 | 110.6 | N147 I148 C152 T153 F154 A195 T196 S197 | N147-D150 WeakPolarHBondContact ND2-CB 3.42Å; N147-D150 VanDerWaalsContact ND2-CG 3.31Å; N147-D150 PolarHBondContact ND2-OD2 3.06Å; N147-D150 WeakPolarHBondContact OD1-CB 3.25Å; N147-D150 PolarHBondContact OD1-OD1 2.71Å; N147-D150 PolarHBondContact OD1-OD2 3.31Å; N147-D150 VanDerWaalsContact OD1-OD2 3.08Å; I148-D150 PolarHBondContact O-N 2.91Å; D150-C152 VanDerWaalsContact C-N 3.34Å; D150-C152 PolarHBondContact O-N 3.34Å; D150-T153 PolarHBondContact O-N 2.95Å; D150-F154 WeakPolarHBondContact O-CB 3.45Å; D150-F154 PolarHBondContact O-N 3.22Å; D150-A195 VanDerWaalsContact OD1-C 3.27Å; D150-T196 WeakPolarHBondContact OD1-CA 3.35Å; D150-T196 PolarHBondContact OD1-N 3.48Å; D150-T196 VanDerWaalsContact OD2-CA 3.25Å; D150-T196 WeakPolarHBondContact OD2-CA 3.47Å; D150-S197 VanDerWaalsContact CG-N 3.29Å; D150-S197 WeakPolarHBondContact OD1-CB 3.38Å; D150-S197 PolarHBondContact OD1-N 2.89Å; D150-S197 PolarHBondContact OD1-OG 2.88Å; D150-S197 PolarHBondContact OD2-N 2.79Å |
| 151 | A | 92.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -57.9 | -46.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L53 T56 V58 N147 I148 A155 | L53-A151 HydrophobicContact CD1-CB 3.53Å; T56-A151 HydrophobicContact CG2-CB 4.23Å; V58-A151 HydrophobicContact CB-CB 4.35Å; V58-A151 HydrophobicContact CG2-CB 3.62Å; N147-A151 PolarHBondContact O-N 3.47Å; I148-A151 WeakPolarHBondContact O-CB 3.35Å; I148-A151 PolarHBondContact O-N 3.49Å; A151-A155 VanDerWaalsContact O-CB 3.24Å; A151-A155 WeakPolarHBondContact O-CB 3.36Å; A151-A155 PolarHBondContact O-N 3.11Å |
| 152 | C | 93.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -65.9 | -46.1 | 178.7 | -74.6 | 0 | 0 | 0 | 0 | 112.4 | I109 L139 I148 D150 F154 A155 L156 | I109-C152 HydrophobicContact CD1-CB 3.52Å; I109-C152 HydrophobicContact CG1-CB 4.45Å; L139-C152 HydrophobicContact CD2-CB 3.82Å; L139-C152 VanDerWaalsContact CD2-O 3.22Å; L139-C152 WeakPolarHBondContact CD2-O 3.26Å; I148-C152 WeakPolarHBondContact O-CB 3.33Å; I148-C152 PolarHBondContact O-N 3.31Å; I148-C152 PolarHBondContact O-SG 3.47Å; D150-C152 VanDerWaalsContact C-N 3.34Å; D150-C152 PolarHBondContact O-N 3.34Å; C152-F154 VanDerWaalsContact C-N 3.29Å; C152-F154 PolarHBondContact O-N 3.26Å; C152-A155 PolarHBondContact O-N 3.12Å; C152-L156 WeakPolarHBondContact O-CB 3.24Å; C152-L156 PolarHBondContact O-N 2.99Å |
| 153 | T | 92.1 | Very high | 90.4 | Very high | 4 Ų | 4 | 13.3 Ų | 13.3 | 3% | 0.025 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -61.4 | -42.5 | 179.1 | -54.2 | 0 | 0 | 0 | 0 | 110.6 | V112 L149 D150 L156 L157 P193 A195 | V112-T153 HydrophobicContact CG1-CG2 4.48Å; L149-T153 WeakPolarHBondContact O-CB 3.34Å; L149-T153 PolarHBondContact O-N 2.92Å; L149-T153 PolarHBondContact O-OG1 3.25Å; D150-T153 PolarHBondContact O-N 2.95Å; T153-L156 PolarHBondContact O-N 3.04Å; T153-L157 WeakPolarHBondContact O-CG 3.46Å; T153-L157 PolarHBondContact O-N 2.83Å; T153-P193 VanDerWaalsContact CG2-O 3.27Å; T153-P193 WeakPolarHBondContact CG2-O 3.48Å; T153-A195 HydrophobicContact CG2-CB 3.95Å; T153-A195 WeakPolarHBondContact OG1-CB 3.49Å |
| 154 | F | 91.4 | Very high | 90 | Very high | 10 Ų | 10 | 12.1 Ų | 12.1 | 4% | 0.044 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -70.6 | -39.7 | 179.2 | -167.7 | -141.3 | 0 | 0 | 0 | 112.6 | V37 V51 D150 C152 L157 A158 V262 L266 | V37-F154 HydrophobicContact CG2-CD1 3.95Å; V37-F154 HydrophobicContact CG2-CE1 3.09Å; V37-F154 HydrophobicContact CG2-CZ 3.49Å; V37-F154 VanDerWaalsContact CG2-CZ 3.49Å; V51-F154 HydrophobicContact CG1-CD1 3.5Å; V51-F154 HydrophobicContact CG1-CE1 4.18Å; V51-F154 HydrophobicContact CG1-CG 4.4Å; V51-F154 HydrophobicContact CG2-CD1 4.27Å; D150-F154 WeakPolarHBondContact O-CB 3.45Å; D150-F154 PolarHBondContact O-N 3.22Å; C152-F154 VanDerWaalsContact C-N 3.29Å; C152-F154 PolarHBondContact O-N 3.26Å; F154-L157 PolarHBondContact O-N 3.09Å; F154-A158 WeakPolarHBondContact O-CB 3.27Å; F154-A158 PolarHBondContact O-N 2.82Å; F154-V262 HydrophobicContact CD2-CG1 3.47Å; F154-V262 VanDerWaalsContact CD2-CG1 3.47Å; F154-V262 HydrophobicContact CE1-CG1 4.31Å; F154-V262 HydrophobicContact CE2-CG1 3.17Å; F154-V262 HydrophobicContact CG-CG1 4.21Å; F154-V262 HydrophobicContact CZ-CG1 3.65Å; F154-L266 HydrophobicContact CD2-CD1 4.4Å; F154-L266 HydrophobicContact CE2-CB 4.28Å; F154-L266 HydrophobicContact CE2-CD1 3.7Å; F154-L266 HydrophobicContact CZ-CD1 4.39Å |
| 155 | A | 92.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -63.3 | -41.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V51 V58 C60 L139 A151 C152 A158 A159 | V51-A155 HydrophobicContact CB-CB 4.08Å; V51-A155 VanDerWaalsContact CG2-CA 3.45Å; V51-A155 HydrophobicContact CG2-CB 3.71Å; V58-A155 HydrophobicContact CB-CB 4.46Å; V58-A155 HydrophobicContact CG1-CB 4.07Å; C60-A155 HydrophobicContact CB-CB 3.93Å; L139-A155 HydrophobicContact CD2-CB 4.32Å; A151-A155 VanDerWaalsContact O-CB 3.24Å; A151-A155 WeakPolarHBondContact O-CB 3.36Å; A151-A155 PolarHBondContact O-N 3.11Å; C152-A155 PolarHBondContact O-N 3.12Å; A155-A158 PolarHBondContact O-N 2.99Å; A155-A159 VanDerWaalsContact O-CB 3.26Å; A155-A159 WeakPolarHBondContact O-CB 3.5Å; A155-A159 PolarHBondContact O-N 3.32Å |
| 156 | L | 92.4 | Very high | 89.3 | Confident | 4 Ų | 4 | 9.8 Ų | 9.8 | 2% | 0.021 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -62.4 | -48.1 | 176.2 | 179.8 | 63 | 0 | 0 | 0 | 111.5 | I62 I109 L113 C137 L139 C152 T153 A158 A159 L160 | I62-L156 HydrophobicContact CD1-CD1 4.46Å; I109-L156 HydrophobicContact CG2-CD2 3.42Å; I109-L156 VanDerWaalsContact CG2-CD2 3.42Å; L113-L156 HydrophobicContact CD1-CD2 3.93Å; L113-L156 HydrophobicContact CD2-CD2 4.05Å; L113-L156 HydrophobicContact CG-CD2 3.97Å; C137-L156 HydrophobicContact CB-CD1 3.7Å; L139-L156 HydrophobicContact CD2-CB 4.24Å; C152-L156 WeakPolarHBondContact O-CB 3.24Å; C152-L156 PolarHBondContact O-N 2.99Å; T153-L156 PolarHBondContact O-N 3.04Å; L156-A158 PolarHBondContact O-N 2.82Å; L156-A159 PolarHBondContact O-N 3.32Å; L156-L160 HydrophobicContact CD1-CD1 4.07Å; L156-L160 HydrophobicContact CD1-CG 4.12Å; L156-L160 HydrophobicContact CG-CD1 3.93Å; L156-L160 HydrophobicContact CG-CG 4.38Å; L156-L160 WeakPolarHBondContact O-CB 3.36Å; L156-L160 VanDerWaalsContact O-CG 3.3Å; L156-L160 WeakPolarHBondContact O-CG 3.44Å; L156-L160 PolarHBondContact O-N 2.87Å |
| 157 | L | 90.4 | Very high | 88.8 | Confident | 3 Ų | 3 | 14.1 Ų | 14.1 | 2% | 0.016 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -58.8 | -47.7 | 177.3 | -79.6 | -177.6 | 0 | 0 | 0 | 112.5 | I118 T153 F154 A159 L160 K161 N192 P193 V194 | I118-L157 HydrophobicContact CD1-CD2 3.9Å; I118-L157 HydrophobicContact CG2-CD2 4.39Å; T153-L157 WeakPolarHBondContact O-CG 3.46Å; T153-L157 PolarHBondContact O-N 2.83Å; F154-L157 PolarHBondContact O-N 3.09Å; L157-A159 VanDerWaalsContact C-N 3.31Å; L157-A159 PolarHBondContact O-N 2.86Å; L157-L160 PolarHBondContact O-N 3.4Å; L157-K161 PolarHBondContact O-N 3.48Å; L157-K161 VanDerWaalsContact O-N 3.11Å; L157-N192 HydrophobicContact CD1-CB 4.49Å; L157-P193 WeakPolarHBondContact CD1-O 3.44Å; L157-P193 HydrophobicContact CD2-CG 4.11Å; L157-V194 HydrophobicContact CD1-CG2 4.34Å |
| 158 | A | 90.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -63.4 | -39.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V37 I39 A49 F154 A155 L156 L266 | V37-A158 HydrophobicContact CG1-CB 3.99Å; I39-A158 HydrophobicContact CD1-CB 4.41Å; I39-A158 HydrophobicContact CG1-CB 4.26Å; A49-A158 HydrophobicContact CB-CB 3.56Å; F154-A158 WeakPolarHBondContact O-CB 3.27Å; F154-A158 PolarHBondContact O-N 2.82Å; A155-A158 PolarHBondContact O-N 2.99Å; L156-A158 PolarHBondContact O-N 2.82Å; A158-L266 HydrophobicContact CB-CD1 3.98Å |
| 159 | A | 91.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -68.4 | -43.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A49 C60 I62 A155 L156 L157 K161 N162 V163 | A49-A159 HydrophobicContact CB-CB 3.92Å; C60-A159 HydrophobicContact CB-CB 3.88Å; C60-A159 VanDerWaalsContact SG-CB 3.56Å; I62-A159 HydrophobicContact CD1-CB 3.59Å; I62-A159 HydrophobicContact CG1-CB 3.94Å; A155-A159 VanDerWaalsContact O-CB 3.26Å; A155-A159 WeakPolarHBondContact O-CB 3.5Å; A155-A159 PolarHBondContact O-N 3.32Å; L156-A159 PolarHBondContact O-N 3.32Å; L157-A159 VanDerWaalsContact C-N 3.31Å; L157-A159 PolarHBondContact O-N 2.86Å; A159-K161 PolarHBondContact O-N 2.99Å; A159-N162 WeakPolarHBondContact O-CB 3.33Å; A159-N162 PolarHBondContact O-N 3.31Å; A159-V163 WeakPolarHBondContact O-CG2 3.24Å; A159-V163 PolarHBondContact O-N 2.95Å |
| 160 | L | 89.5 | Confident | 86 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.4 | -41.1 | 179.3 | -80.3 | 174.8 | 0 | 0 | 0 | 112.8 | I62 L113 I118 I119 L156 L157 N162 V163 L187 V189 | I62-L160 HydrophobicContact CD1-CB 4.4Å; I62-L160 HydrophobicContact CD1-CD2 3.59Å; I62-L160 HydrophobicContact CD1-CG 3.77Å; L113-L160 HydrophobicContact CD2-CD1 4.26Å; I118-L160 HydrophobicContact CD1-CD1 4.46Å; I118-L160 HydrophobicContact CG2-CD1 4.12Å; I119-L160 HydrophobicContact CD1-CD1 4.1Å; I119-L160 HydrophobicContact CD1-CD2 3.65Å; L156-L160 HydrophobicContact CD1-CD1 4.07Å; L156-L160 HydrophobicContact CD1-CG 4.12Å; L156-L160 HydrophobicContact CG-CD1 3.93Å; L156-L160 HydrophobicContact CG-CG 4.38Å; L156-L160 WeakPolarHBondContact O-CB 3.36Å; L156-L160 VanDerWaalsContact O-CG 3.3Å; L156-L160 WeakPolarHBondContact O-CG 3.44Å; L156-L160 PolarHBondContact O-N 2.87Å; L157-L160 PolarHBondContact O-N 3.4Å; L160-N162 PolarHBondContact O-N 3.38Å; L160-V163 HydrophobicContact CD2-CG2 4.42Å; L160-V163 WeakPolarHBondContact O-CB 3.22Å; L160-V163 PolarHBondContact O-N 3.44Å; L160-V163 VanDerWaalsContact O-N 3.17Å; L160-L187 HydrophobicContact CD2-CD2 4.21Å; L160-V189 HydrophobicContact CB-CG2 4.23Å |
| 161 | K | 87.6 | Confident | 85 | Confident | 50 Ų | 50 | 21.7 Ų | 21.7 | 22% | 0.217 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -66.5 | -19.3 | 175.8 | -70.8 | -164.9 | 179.1 | -159.1 | 0 | 113.7 | L157 A159 V189 N192 L266 I270 | L157-K161 PolarHBondContact O-N 3.48Å; L157-K161 VanDerWaalsContact O-N 3.11Å; A159-K161 PolarHBondContact O-N 2.99Å; K161-V189 HydrophobicContact CG-CB 4.31Å; K161-V189 HydrophobicContact CG-CG2 4.05Å; K161-N192 WeakPolarHBondContact CE-OD1 3.42Å; K161-N192 PolarHBondContact NZ-ND2 2.91Å; K161-N192 PolarHBondContact NZ-OD1 3.49Å; K161-N192 VanDerWaalsContact NZ-OD1 3.14Å; K161-L266 HydrophobicContact CD-CD2 3.7Å; K161-L266 HydrophobicContact CD-CG 4.46Å; K161-L266 VanDerWaalsContact CE-CD2 3.5Å; K161-I270 HydrophobicContact CB-CD1 4.39Å; K161-I270 HydrophobicContact CD-CD1 3.46Å; K161-I270 VanDerWaalsContact CD-CD1 3.46Å |
| 162 | N | 87.3 | Confident | 83.6 | Confident | 24 Ų | 24 | 30.8 Ų | 30.8 | 13% | 0.128 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -93.5 | -8.7 | 176.9 | -167.6 | 37.6 | 0 | 0 | 0 | 113.5 | I39 G40 S48 A159 L160 Q164 | I39-N162 HydrophobicContact CG2-CB 3.38Å; I39-N162 VanDerWaalsContact CG2-CG 3.45Å; G40-N162 VanDerWaalsContact CA-ND2 3.27Å; G40-N162 WeakPolarHBondContact CA-ND2 3.21Å; G40-N162 PolarHBondContact N-ND2 2.91Å; S48-N162 PolarHBondContact O-ND2 3.33Å; A159-N162 WeakPolarHBondContact O-CB 3.33Å; A159-N162 PolarHBondContact O-N 3.31Å; L160-N162 PolarHBondContact O-N 3.38Å; N162-Q164 PolarHBondContact O-N 3.49Å |
| 163 | V | 88.1 | Confident | 81.9 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -63.1 | 122.9 | -177.4 | 175.4 | 0 | 0 | 0 | 0 | 109.9 | D46 I62 A159 L160 L165 Y186 L187 | D46-V163 WeakPolarHBondContact O-CA 3.37Å; I62-V163 HydrophobicContact CB-CG2 3.95Å; I62-V163 HydrophobicContact CD1-CG2 3.69Å; I62-V163 HydrophobicContact CG1-CG2 4.39Å; I62-V163 HydrophobicContact CG2-CG2 3.77Å; A159-V163 WeakPolarHBondContact O-CG2 3.24Å; A159-V163 PolarHBondContact O-N 2.95Å; L160-V163 HydrophobicContact CD2-CG2 4.42Å; L160-V163 WeakPolarHBondContact O-CB 3.22Å; L160-V163 PolarHBondContact O-N 3.44Å; L160-V163 VanDerWaalsContact O-N 3.17Å; V163-L165 HydrophobicContact CG1-CD2 3.77Å; V163-L165 HydrophobicContact CG1-CG 3.85Å; V163-Y186 WeakPolarHBondContact O-CA 3.29Å; V163-L187 HydrophobicContact CB-CB 4.33Å; V163-L187 HydrophobicContact CG1-CB 4.49Å; V163-L187 PolarHBondContact O-N 2.83Å | ||
| 164 | Q | 83.2 | Confident | 80.2 | Confident | 51 Ų | 51 | 44.1 Ų | 44.1 | 24% | 0.238 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 107.3 | 174.1 | -70.1 | -179.1 | 8.3 | 0 | 0 | 110 | D46 N162 K184 Y186 | D46-Q164 PolarHBondContact O-N 2.89Å; D46-Q164 VanDerWaalsContact O-N 3.12Å; N162-Q164 PolarHBondContact O-N 3.49Å; Q164-K184 HydrophobicContact CB-CB 4.17Å; Q164-K184 HydrophobicContact CB-CD 4.03Å; Q164-Y186 HydrophobicContact CG-CD1 3.76Å; Q164-Y186 HydrophobicContact CG-CE1 3.51Å; Q164-Y186 HydrophobicContact CG-CG 4.4Å; Q164-Y186 VanDerWaalsContact NE2-CE1 3.3Å; Q164-Y186 PolarHBondContact NE2-OH 3.2Å |
| 165 | L | 83.1 | Confident | 78.6 | Confident | 9 Ų | 9 | 47.3 Ų | 47.3 | 5% | 0.047 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 137.6 | 178 | -59.6 | 178.8 | 0 | 0 | 0 | 110.4 | A64 L124 W133 L135 V163 K184 S185 L187 | A64-L165 HydrophobicContact CB-CD2 3.28Å; L124-L165 HydrophobicContact CD2-CD1 4.24Å; W133-L165 HydrophobicContact CD2-CD1 4.41Å; W133-L165 HydrophobicContact CG-CD1 4.37Å; W133-L165 HydrophobicContact CZ2-CB 4.37Å; L135-L165 HydrophobicContact CD2-CD1 4.39Å; L135-L165 HydrophobicContact CD2-CD2 4.19Å; V163-L165 HydrophobicContact CG1-CD2 3.77Å; V163-L165 HydrophobicContact CG1-CG 3.85Å; L165-K184 CarbonylContact O-C 3.58Å; L165-K184 VanDerWaalsContact O-CA 3.26Å; L165-K184 WeakPolarHBondContact O-CA 3.43Å; L165-S185 PolarHBondContact N-O 3.04Å; L165-S185 PolarHBondContact O-N 2.94Å; L165-S185 PolarHBondContact O-OG 2.89Å; L165-L187 HydrophobicContact CD1-CD1 4.44Å |
| 166 | P | 80.7 | Confident | 77 | Confident | 15 Ų | 15 | 52.9 Ų | 52.9 | 10% | 0.097 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 146.9 | 170.5 | 30.5 | -33.4 | 0 | 0 | 0 | 110.8 | W133 V179 K183 | W133-P166 HydrophobicContact CH2-CG 4.06Å; W133-P166 HydrophobicContact CZ2-CG 4.2Å; P166-V179 HydrophobicContact CB-CG1 3.67Å; P166-V179 HydrophobicContact CG-CG1 3.62Å; P166-K183 WeakPolarHBondContact CA-O 3.34Å |
| 167 | E | 75.7 | Confident | 75.5 | Confident | 91 Ų | 91 | 54.6 Ų | 54.6 | 43% | 0.425 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 134 | 168.8 | -75.1 | -173.3 | 157.6 | 0 | 0 | 110.1 | N180 K183 | E167-N180 PolarHBondContact O-N 3.37Å; E167-K183 HydrophobicContact CB-CB 4.36Å; E167-K183 HydrophobicContact CG-CB 4.2Å; E167-K183 PolarHBondContact N-O 2.81Å; E167-K183 WeakPolarHBondContact OE2-CD 3.3Å; E167-K183 IonicContact OE2-NZ 2.79Å |
| 168 | V | 74.5 | Confident | 74.3 | Confident | 20 Ų | 20 | 59.9 Ų | 59.9 | 12% | 0.121 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 122.5 | -179.5 | -174.3 | 0 | 0 | 0 | 0 | 108.8 | F66 I126 W133 A177 V179 | F66-V168 HydrophobicContact CE1-CB 4.41Å; F66-V168 HydrophobicContact CE1-CG1 4.28Å; F66-V168 HydrophobicContact CE1-CG2 3.68Å; F66-V168 HydrophobicContact CZ-CG1 4.39Å; F66-V168 HydrophobicContact CZ-CG2 3.59Å; I126-V168 HydrophobicContact CD1-CB 4.07Å; I126-V168 HydrophobicContact CD1-CG1 4.2Å; I126-V168 HydrophobicContact CD1-CG2 4.39Å; I126-V168 HydrophobicContact CG2-CB 4.29Å; I126-V168 HydrophobicContact CG2-CG1 4.37Å; W133-V168 HydrophobicContact CH2-CG2 4.43Å; W133-V168 HydrophobicContact CZ2-CG2 3.67Å; V168-A177 HydrophobicContact CG1-CB 3.81Å; V168-V179 HydrophobicContact CG2-CG1 4.46Å; V168-V179 HydrophobicContact CG2-CG2 4.26Å |
| 169 | T | 70.1 | Confident | 73.1 | Confident | 79 Ų | 79 | 62.6 Ų | 62.6 | 49% | 0.485 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 131.4 | 173.7 | 41.9 | 0 | 0 | 0 | 0 | 109 | E178 | T169-E178 PolarHBondContact N-O 3.33Å; T169-E178 VanDerWaalsContact N-O 3.14Å; T169-E178 PolarHBondContact O-N 2.81Å |
| 170 | I | 69.1 | Low | 72 | Confident | 39 Ų | 39 | 66.1 Ų | 66.1 | 20% | 0.2 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 119.8 | 174.7 | -59.5 | 169.3 | 0 | 0 | 0 | 107.3 | I126 L131 E172 | I126-I170 HydrophobicContact CG2-CD1 4.02Å; I126-I170 HydrophobicContact CG2-CG1 4.19Å; L131-I170 HydrophobicContact CB-CD1 4.03Å; L131-I170 HydrophobicContact CD1-CD1 3.68Å; L131-I170 HydrophobicContact CD1-CG1 3.94Å; L131-I170 HydrophobicContact CG-CD1 4.32Å; I170-E172 PolarHBondContact O-N 2.67Å |
| 171 | N | 69.9 | Low | 70.8 | Confident | 57 Ų | 57 | 72.3 Ų | 72.3 | 31% | 0.305 | 39% | 0.388 | S | S | . | . | trans | -79.2 | 120.5 | 170.6 | -74.7 | -33.9 | 0 | 0 | 0 | 109.1 | E173 T174 A175 L176 E178 | N171-E173 PolarHBondContact O-N 3.13Å; N171-T174 PolarHBondContact O-N 2.86Å; N171-A175 PolarHBondContact O-N 2.88Å; N171-L176 PolarHBondContact N-O 2.82Å; N171-E178 PolarHBondContact ND2-OE1 2.74Å; N171-E178 PolarHBondContact ND2-OE2 2.8Å | ||
| 172 | E | 63.6 | Low | 69.6 | Low | 191 Ų | 191 | 79.3 Ų | 79.3 | 89% | 0.893 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -21.9 | -174.6 | -64.1 | -170.5 | 154.8 | 0 | 0 | 113.5 | I170 | I170-E172 PolarHBondContact O-N 2.67Š|
| 173 | E | 56.8 | Low | 68.6 | Low | 198 Ų | 198 | 84 Ų | 84 | 93% | 0.925 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -28.9 | -178.8 | -67.8 | -172.2 | 133.4 | 0 | 0 | 114.3 | N171 | N171-E173 PolarHBondContact O-N 3.13Š|
| 174 | T | 56.5 | Low | 67.9 | Low | 85 Ų | 85 | 89.1 Ų | 89.1 | 52% | 0.521 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | -10.4 | -177.6 | 42.1 | 0 | 0 | 0 | 0 | 113.6 | N171 L176 | N171-T174 PolarHBondContact O-N 2.86Å; T174-L176 PolarHBondContact O-N 3.25Å |
| 175 | A | 57 | Low | 67.5 | Low | 78 Ų | 78 | 89.3 Ų | 89.3 | 65% | 0.645 | 47% | 0.467 | S | S | * | . | trans | 52.9 | 16.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114 | N171 | N171-A175 PolarHBondContact O-N 2.88Š| ||
| 176 | L | 60 | Low | 67.3 | Low | 117 Ų | 117 | 95.8 Ų | 95.8 | 61% | 0.613 | 49% | 0.492 | S | S | * | . | trans | -91.7 | 132.9 | 177.5 | -73.2 | 169.4 | 0 | 0 | 0 | 109.1 | N171 T174 E178 | N171-L176 PolarHBondContact N-O 2.82Å; T174-L176 PolarHBondContact O-N 3.25Å; L176-E178 PolarHBondContact O-N 3.46Å | ||
| 177 | A | 61.1 | Low | 67.2 | Low | 39 Ų | 39 | 95.9 Ų | 95.9 | 32% | 0.322 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 110.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | L131 V168 V179 | L131-A177 HydrophobicContact CD1-CB 4.23Å; V168-A177 HydrophobicContact CG1-CB 3.81Å; A177-V179 PolarHBondContact O-N 3.01Å |
| 178 | E | 65.4 | Low | 67.1 | Low | 115 Ų | 115 | 96.6 Ų | 96.6 | 54% | 0.537 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 110.2 | 168.4 | -75.4 | -173.6 | 164.1 | 0 | 0 | 108.4 | T169 N171 L176 | T169-E178 PolarHBondContact N-O 3.33Å; T169-E178 VanDerWaalsContact N-O 3.14Å; T169-E178 PolarHBondContact O-N 2.81Å; N171-E178 PolarHBondContact ND2-OE1 2.74Å; N171-E178 PolarHBondContact ND2-OE2 2.8Å; L176-E178 PolarHBondContact O-N 3.46Å |
| 179 | V | 64.6 | Low | 67.4 | Low | 57 Ų | 57 | 96.7 Ų | 96.7 | 35% | 0.345 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 112.7 | 177.8 | -176.4 | 0 | 0 | 0 | 0 | 108.5 | F66 P166 V168 A177 L181 | F66-V179 HydrophobicContact CE2-CG2 4.18Å; F66-V179 HydrophobicContact CZ-CG2 4.13Å; P166-V179 HydrophobicContact CB-CG1 3.67Å; P166-V179 HydrophobicContact CG-CG1 3.62Å; V168-V179 HydrophobicContact CG2-CG1 4.46Å; V168-V179 HydrophobicContact CG2-CG2 4.26Å; A177-V179 PolarHBondContact O-N 3.01Å; V179-L181 HydrophobicContact CG1-CD2 4.14Å; V179-L181 HydrophobicContact CG1-CG 4.41Å; V179-L181 PolarHBondContact O-N 2.88Å; V179-L181 VanDerWaalsContact O-N 3.14Å |
| 180 | N | 67.9 | Low | 67.8 | Low | 74 Ų | 74 | 99.7 Ų | 99.7 | 40% | 0.396 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 86.9 | 177 | -154.8 | -25.4 | 0 | 0 | 0 | 110 | E167 K182 K183 | E167-N180 PolarHBondContact O-N 3.37Å; N180-K182 PolarHBondContact O-N 2.87Å; N180-K183 PolarHBondContact O-N 2.94Å; N180-K183 VanDerWaalsContact O-N 3.13Å |
| 181 | L | 65 | Low | 68.4 | Low | 130 Ų | 130 | 99 Ų | 99 | 68% | 0.681 | 50% | 0.498 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.3 | -16.7 | -177.4 | -67.8 | 166.8 | 0 | 0 | 0 | 114.5 | V179 | V179-L181 HydrophobicContact CG1-CD2 4.14Å; V179-L181 HydrophobicContact CG1-CG 4.41Å; V179-L181 PolarHBondContact O-N 2.88Å; V179-L181 VanDerWaalsContact O-N 3.14Å |
| 182 | K | 62.9 | Low | 69.2 | Low | 197 Ų | 197 | 96.5 Ų | 96.5 | 86% | 0.857 | 49% | 0.485 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.9 | -23.2 | -178.7 | -71.3 | -176.5 | 178.2 | 179.2 | 0 | 113.8 | N180 | N180-K182 PolarHBondContact O-N 2.87Å |
| 183 | K | 66.3 | Low | 70.3 | Confident | 121 Ų | 121 | 87.4 Ų | 87.4 | 53% | 0.526 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 103 | 178.2 | -70.7 | -174.1 | 179 | -177.2 | 0 | 108.2 | P166 E167 N180 | P166-K183 WeakPolarHBondContact CA-O 3.34Å; E167-K183 HydrophobicContact CB-CB 4.36Å; E167-K183 HydrophobicContact CG-CB 4.2Å; E167-K183 PolarHBondContact N-O 2.81Å; E167-K183 WeakPolarHBondContact OE2-CD 3.3Å; E167-K183 IonicContact OE2-NZ 2.79Å; N180-K183 PolarHBondContact O-N 2.94Å; N180-K183 VanDerWaalsContact O-N 3.13Å |
| 184 | K | 72.6 | Confident | 71.8 | Confident | 108 Ų | 108 | 78.4 Ų | 78.4 | 47% | 0.47 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 123.4 | 172.5 | -64.5 | -171.1 | 178.4 | -166.8 | 0 | 109.2 | Q164 L165 | Q164-K184 HydrophobicContact CB-CB 4.17Å; Q164-K184 HydrophobicContact CB-CD 4.03Å; L165-K184 CarbonylContact O-C 3.58Å; L165-K184 VanDerWaalsContact O-CA 3.26Å; L165-K184 WeakPolarHBondContact O-CA 3.43Å |
| 185 | S | 74 | Confident | 73.5 | Confident | 56 Ų | 56 | 74.6 Ų | 74.6 | 39% | 0.392 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 133.5 | 171.2 | 50.1 | 0 | 0 | 0 | 0 | 109.4 | L165 | L165-S185 PolarHBondContact N-O 3.04Å; L165-S185 PolarHBondContact O-N 2.94Å; L165-S185 PolarHBondContact O-OG 2.89Å |
| 186 | Y | 78.8 | Confident | 75.1 | Confident | 145 Ų | 145 | 70.9 Ų | 70.9 | 57% | 0.569 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 141.7 | 167.7 | -69.5 | -90.1 | 0 | 0 | 0 | 109.6 | V163 Q164 | V163-Y186 WeakPolarHBondContact O-CA 3.29Å; Q164-Y186 HydrophobicContact CG-CD1 3.76Å; Q164-Y186 HydrophobicContact CG-CE1 3.51Å; Q164-Y186 HydrophobicContact CG-CG 4.4Å; Q164-Y186 VanDerWaalsContact NE2-CE1 3.3Å; Q164-Y186 PolarHBondContact NE2-OH 3.2Å |
| 187 | L | 78.3 | Confident | 76.7 | Confident | 16 Ų | 16 | 65.7 Ų | 65.7 | 8% | 0.084 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 132.2 | 174.1 | -167.4 | 68.5 | 0 | 0 | 0 | 110.1 | I119 L124 L135 L160 V163 L165 V189 | I119-L187 HydrophobicContact CD1-CD2 3.59Å; I119-L187 HydrophobicContact CG1-CD2 3.7Å; I119-L187 HydrophobicContact CG1-CG 4.39Å; I119-L187 HydrophobicContact CG2-CD1 4.14Å; I119-L187 HydrophobicContact CG2-CD2 4.18Å; I119-L187 HydrophobicContact CG2-CG 4.38Å; L124-L187 HydrophobicContact CD2-CD1 3.99Å; L135-L187 HydrophobicContact CD1-CD2 3.92Å; L160-L187 HydrophobicContact CD2-CD2 4.21Å; V163-L187 HydrophobicContact CB-CB 4.33Å; V163-L187 HydrophobicContact CG1-CB 4.49Å; V163-L187 PolarHBondContact O-N 2.83Å; L165-L187 HydrophobicContact CD1-CD1 4.44Å; L187-V189 PolarHBondContact O-N 2.74Å |
| 188 | N | 74.4 | Confident | 78.1 | Confident | 107 Ų | 107 | 63.9 Ų | 63.9 | 57% | 0.572 | 31% | 0.306 | S | S | * | . | trans | -85.3 | 98.7 | -179.4 | -166.8 | 13 | 0 | 0 | 0 | 110.8 | ||||
| 189 | V | 80.4 | Confident | 79.2 | Confident | 21 Ų | 21 | 58.4 Ų | 58.4 | 13% | 0.127 | 28% | 0.28 | C | S | . | . | trans | -80.1 | 120.5 | 173.8 | 175.6 | 0 | 0 | 0 | 0 | 109.4 | I118 L160 K161 L187 T191 | I118-V189 HydrophobicContact CG2-CB 4.38Å; I118-V189 HydrophobicContact CG2-CG1 3.48Å; I118-V189 VanDerWaalsContact CG2-CG1 3.48Å; I118-V189 HydrophobicContact CG2-CG2 4.31Å; L160-V189 HydrophobicContact CB-CG2 4.23Å; K161-V189 HydrophobicContact CG-CB 4.31Å; K161-V189 HydrophobicContact CG-CG2 4.05Å; L187-V189 PolarHBondContact O-N 2.74Å; V189-T191 VanDerWaalsContact CG1-O 3.3Å; V189-T191 WeakPolarHBondContact CG1-O 3.34Å | ||
| 190 | R | 79.6 | Confident | 80.3 | Confident | 142 Ų | 142 | 56.1 Ų | 56.1 | 54% | 0.536 | 27% | 0.266 | S | S | . | . | trans | -88 | -38.5 | -175.8 | -69.6 | 180 | 170.9 | -139.7 | -8.7 | 113.8 | I118 K120 | I118-R190 PolarHBondContact O-N 2.85Å; I118-R190 VanDerWaalsContact O-N 3.08Å; K120-R190 VanDerWaalsContact CD-CZ 3.42Å | ||
| 191 | T | 81 | Confident | 81 | Confident | 25 Ų | 25 | 53 Ų | 53 | 15% | 0.153 | 25% | 0.249 | C | C | . | . | trans | -131.2 | 143.8 | -171.5 | 48.9 | 0 | 0 | 0 | 0 | 108.6 | S116 I118 V189 P193 D227 | S116-T191 PolarHBondContact O-OG1 2.8Å; I118-T191 WeakPolarHBondContact CA-OG1 3.32Å; V189-T191 VanDerWaalsContact CG1-O 3.3Å; V189-T191 WeakPolarHBondContact CG1-O 3.34Å; T191-P193 VanDerWaalsContact C-CD 3.42Å; T191-P193 VanDerWaalsContact O-CD 3.23Å; T191-P193 WeakPolarHBondContact O-CD 3.35Å; T191-D227 VanDerWaalsContact CB-OD1 3.28Å; T191-D227 WeakPolarHBondContact CB-OD1 3.3Å; T191-D227 WeakPolarHBondContact CG2-OD2 3.19Å | ||
| 192 | N | 86.1 | Confident | 81.4 | Confident | 5 Ų | 5 | 49.7 Ų | 49.7 | 3% | 0.027 | 23% | 0.232 | C | C | . | . | trans | -116.4 | 72.6 | -176.7 | -62.3 | -22.5 | 0 | 0 | 0 | 110.2 | L157 K161 V194 D227 E228 H259 N263 | L157-N192 HydrophobicContact CD1-CB 4.49Å; K161-N192 WeakPolarHBondContact CE-OD1 3.42Å; K161-N192 PolarHBondContact NZ-ND2 2.91Å; K161-N192 PolarHBondContact NZ-OD1 3.49Å; K161-N192 VanDerWaalsContact NZ-OD1 3.14Å; N192-V194 PolarHBondContact O-N 2.86Å; N192-D227 PolarHBondContact N-OD1 2.84Å; N192-E228 HydrophobicContact CB-CG 3.9Å; N192-E228 PolarHBondContact ND2-OE1 2.89Å; N192-H259 PolarHBondContact O-CE1 2.83Å; N192-N263 PolarHBondContact ND2-OD1 3.42Å | ||
| 193 | P | 87.9 | Confident | 81.8 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -63.3 | 118.7 | 179.5 | 27.5 | -40 | 0 | 0 | 0 | 112.7 | V112 I118 T153 L157 T191 V225 M226 | V112-P193 HydrophobicContact CG1-CB 4.26Å; V112-P193 HydrophobicContact CG1-CG 4.24Å; I118-P193 HydrophobicContact CD1-CG 3.42Å; I118-P193 VanDerWaalsContact CD1-CG 3.42Å; I118-P193 HydrophobicContact CG1-CG 3.81Å; T153-P193 VanDerWaalsContact CG2-O 3.27Å; T153-P193 WeakPolarHBondContact CG2-O 3.48Å; L157-P193 WeakPolarHBondContact CD1-O 3.44Å; L157-P193 HydrophobicContact CD2-CG 4.11Å; T191-P193 VanDerWaalsContact C-CD 3.42Å; T191-P193 VanDerWaalsContact O-CD 3.23Å; T191-P193 WeakPolarHBondContact O-CD 3.35Å; P193-V225 HydrophobicContact CB-CG1 3.69Å; P193-M226 WeakPolarHBondContact CA-O 3.27Å | ||
| 194 | V | 88.8 | Confident | 82.1 | Confident | 9 Ų | 9 | 43.3 Ų | 43.3 | 6% | 0.055 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 126.3 | 174 | -179.1 | 0 | 0 | 0 | 0 | 109.2 | L157 N192 V225 M226 H259 V262 | L157-V194 HydrophobicContact CD1-CG2 4.34Å; N192-V194 PolarHBondContact O-N 2.86Å; V194-V225 WeakPolarHBondContact O-CA 3.44Å; V194-M226 PolarHBondContact N-O 2.85Å; V194-M226 PolarHBondContact O-N 3.32Å; V194-M226 VanDerWaalsContact O-N 3.12Å; V194-H259 HydrophobicContact CB-CB 4.41Å; V194-H259 WeakPolarHBondContact CB-ND1 3.48Å; V194-H259 WeakPolarHBondContact CG2-ND1 3.2Å; V194-V262 HydrophobicContact CG1-CB 4.15Å; V194-V262 HydrophobicContact CG1-CG1 3.95Å; V194-V262 HydrophobicContact CG1-CG2 4.24Å; V194-V262 HydrophobicContact CG2-CB 4.32Å; V194-V262 HydrophobicContact CG2-CG1 3.9Å |
| 195 | A | 91.1 | Very high | 82.5 | Confident | 4 Ų | 4 | 40.2 Ų | 40.2 | 3% | 0.033 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 140.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | D150 T153 T223 I224 V225 | D150-A195 VanDerWaalsContact OD1-C 3.27Å; T153-A195 HydrophobicContact CG2-CB 3.95Å; T153-A195 WeakPolarHBondContact OG1-CB 3.49Å; A195-T223 HydrophobicContact CB-CG2 4.1Å; A195-I224 CarbonylContact C-O 3.23Å; A195-V225 HydrophobicContact CB-CG2 3.79Å |
| 196 | T | 91.6 | Very high | 82.9 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 120.9 | 174.5 | 50.7 | 0 | 0 | 0 | 0 | 109.5 | F32 D150 F198 T223 I224 A255 R258 | F32-T196 HydrophobicContact CZ-CG2 4.5Å; D150-T196 WeakPolarHBondContact OD1-CA 3.35Å; D150-T196 PolarHBondContact OD1-N 3.48Å; D150-T196 VanDerWaalsContact OD2-CA 3.25Å; D150-T196 WeakPolarHBondContact OD2-CA 3.47Å; T196-F198 WeakPolarHBondContact O-CE2 3.44Å; T196-T223 WeakPolarHBondContact O-CA 3.42Å; T196-I224 PolarHBondContact N-O 3.24Å; T196-I224 PolarHBondContact O-N 2.99Å; T196-I224 PolarHBondContact OG1-O 3.25Å; T196-I224 VanDerWaalsContact OG1-O 3.04Å; T196-A255 HydrophobicContact CG2-CB 4.38Å; T196-A255 WeakPolarHBondContact OG1-CB 2.82Å; T196-R258 HydrophobicContact CG2-CB 3.99Å; T196-R258 HydrophobicContact CG2-CG 3.83Å |
| 197 | S | 91.8 | Very high | 83.4 | Confident | 7 Ų | 7 | 31.5 Ų | 31.5 | 5% | 0.049 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 137.5 | -177.4 | -62 | 0 | 0 | 0 | 0 | 111.8 | N147 D150 D209 L222 T223 | N147-S197 WeakPolarHBondContact OD1-CB 3.47Å; N147-S197 PolarHBondContact OD1-OG 3.27Å; N147-S197 VanDerWaalsContact OD1-OG 3.13Å; D150-S197 VanDerWaalsContact CG-N 3.29Å; D150-S197 WeakPolarHBondContact OD1-CB 3.38Å; D150-S197 PolarHBondContact OD1-N 2.89Å; D150-S197 PolarHBondContact OD1-OG 2.88Å; D150-S197 PolarHBondContact OD2-N 2.79Å; S197-D209 PolarHBondContact O-N 2.79Å; S197-L222 CarbonylContact C-O 3.6Å; S197-T223 WeakPolarHBondContact OG-CG2 3.49Å; S197-T223 PolarHBondContact OG-OG1 2.94Å |
| 198 | F | 90.5 | Very high | 83.8 | Confident | 1 Ų | 1 | 30.8 Ų | 30.8 | 0% | 0.004 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 139.4 | -178 | -57.1 | -82.8 | 0 | 0 | 0 | 108.7 | T196 L206 I207 V208 T221 L222 I224 C251 R254 A255 | T196-F198 WeakPolarHBondContact O-CE2 3.44Å; F198-L206 HydrophobicContact CB-CD1 4.34Å; F198-L206 HydrophobicContact CB-CD2 4.32Å; F198-L206 HydrophobicContact CB-CG 4.32Å; F198-L206 HydrophobicContact CD1-CD2 3.5Å; F198-L206 HydrophobicContact CD1-CG 4.38Å; F198-L206 HydrophobicContact CE1-CD2 4.18Å; F198-L206 HydrophobicContact CG-CD2 4.25Å; F198-I207 CarbonylContact C-O 3.58Å; F198-I207 VanDerWaalsContact CA-O 3.26Å; F198-I207 WeakPolarHBondContact CA-O 3.42Å; F198-V208 HydrophobicContact CD1-CB 4.27Å; F198-V208 HydrophobicContact CD1-CG1 4.13Å; F198-V208 HydrophobicContact CD1-CG2 3.76Å; F198-V208 HydrophobicContact CE1-CB 4.33Å; F198-V208 HydrophobicContact CE1-CG1 3.9Å; F198-V208 HydrophobicContact CE1-CG2 3.67Å; F198-T221 CarbonylContact O-C 3.6Å; F198-T221 WeakPolarHBondContact O-CA 3.5Å; F198-L222 HydrophobicContact CB-CB 4.32Å; F198-L222 WeakPolarHBondContact CB-O 3.26Å; F198-L222 HydrophobicContact CD2-CD2 4.48Å; F198-L222 PolarHBondContact N-O 3.19Å; F198-L222 PolarHBondContact O-N 3.31Å; F198-I224 HydrophobicContact CD2-CD1 4.2Å; F198-I224 HydrophobicContact CD2-CG1 4.38Å; F198-I224 HydrophobicContact CE2-CB 4.27Å; F198-I224 HydrophobicContact CE2-CD1 3.83Å; F198-I224 HydrophobicContact CE2-CG1 4.18Å; F198-C251 HydrophobicContact CD2-CB 4.32Å; F198-C251 HydrophobicContact CE1-CB 4.42Å; F198-C251 HydrophobicContact CE2-CB 4.09Å; F198-C251 HydrophobicContact CZ-CB 4.12Å; F198-C251 WeakPolarHBondContact CZ-O 3.49Å; F198-R254 HydrophobicContact CE1-CB 4.39Å; F198-A255 HydrophobicContact CE2-CB 4.28Å; F198-A255 HydrophobicContact CZ-CB 4.03Å |
| 199 | A | 89.2 | Confident | 84.5 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 139.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | I207 P210 | A199-I207 HydrophobicContact CB-CD1 3.97Å; A199-I207 HydrophobicContact CB-CG1 3.68Å; A199-I207 PolarHBondContact N-O 2.93Å; A199-I207 WeakPolarHBondContact O-CG1 3.14Å; A199-I207 PolarHBondContact O-N 2.67Å; A199-P210 HydrophobicContact CB-CB 3.71Å; A199-P210 HydrophobicContact CB-CG 3.99Å |
| 200 | V | 87.2 | Confident | 84.8 | Confident | 10 Ų | 10 | 24.9 Ų | 24.9 | 6% | 0.061 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 126.6 | -177 | -176.2 | 0 | 0 | 0 | 0 | 109.3 | L205 L206 T219 G220 L243 | V200-L205 WeakPolarHBondContact CA-O 3.47Å; V200-L206 HydrophobicContact CG2-CD1 4.27Å; V200-T219 PolarHBondContact O-N 2.9Å; V200-T219 PolarHBondContact O-OG1 3.07Å; V200-G220 PolarHBondContact N-O 3.41Å; V200-L243 HydrophobicContact CG2-CD1 4.37Å |
| 201 | F | 83.1 | Confident | 85.2 | Confident | 8 Ų | 8 | 18.8 Ų | 18.8 | 4% | 0.035 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 129.7 | 175 | -77.5 | -85.5 | 0 | 0 | 0 | 110.5 | L18 D203 T204 L205 I207 E214 L217 | L18-F201 HydrophobicContact CD1-CB 4.08Å; L18-F201 HydrophobicContact CD1-CD1 3.88Å; L18-F201 HydrophobicContact CD1-CD2 3.86Å; L18-F201 HydrophobicContact CD1-CE1 4.26Å; L18-F201 HydrophobicContact CD1-CE2 4.24Å; L18-F201 HydrophobicContact CD1-CG 3.66Å; L18-F201 HydrophobicContact CD1-CZ 4.41Å; F201-D203 PolarHBondContact O-N 2.85Å; F201-D203 VanDerWaalsContact O-N 3.07Å; F201-T204 PolarHBondContact O-N 2.87Å; F201-T204 VanDerWaalsContact O-N 3.16Å; F201-L205 HydrophobicContact CB-CB 4.24Å; F201-L205 PolarHBondContact N-O 2.85Å; F201-L205 PolarHBondContact O-N 3.49Å; F201-I207 HydrophobicContact CD2-CD1 4.27Å; F201-I207 HydrophobicContact CD2-CG1 4.12Å; F201-I207 HydrophobicContact CD2-CG2 4.47Å; F201-I207 HydrophobicContact CE2-CD1 3.56Å; F201-I207 HydrophobicContact CE2-CG1 3.88Å; F201-E214 HydrophobicContact CE2-CB 4.29Å; F201-E214 HydrophobicContact CZ-CB 4.02Å; F201-E214 HydrophobicContact CZ-CG 4.45Å; F201-E214 VanDerWaalsContact CZ-O 3.26Å; F201-E214 WeakPolarHBondContact CZ-O 3.21Å; F201-L217 HydrophobicContact CE1-CB 4Å; F201-L217 HydrophobicContact CZ-CB 4.4Å |
| 202 | D | 73.8 | Confident | 85.5 | Confident | 60 Ų | 60 | 18.3 Ų | 18.3 | 32% | 0.321 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.3 | 43.2 | 171.8 | -62.3 | -41.2 | 0 | 0 | 0 | 113.4 | R15 T204 | R15-D202 IonicContact CZ-OD1 3.26Å; R15-D202 IonicContact CZ-OD2 2.83Å; R15-D202 IonicContact NE-OD1 3.56Å; R15-D202 PolarHBondContact NE-OD1 3.22Å; R15-D202 IonicContact NE-OD2 3.4Å; R15-D202 PolarHBondContact NE-OD2 3.32Å; R15-D202 IonicContact NH2-OD1 2.84Å; R15-D202 PolarHBondContact NH2-OD1 3.4Å; R15-D202 IonicContact NH2-OD2 2.69Å; D202-T204 WeakPolarHBondContact O-CB 3.46Å; D202-T204 WeakPolarHBondContact O-CG2 3.4Å; D202-T204 PolarHBondContact O-N 2.77Å; D202-T204 PolarHBondContact O-OG1 3.07Å |
| 203 | D | 70.3 | Confident | 85.5 | Confident | 94 Ų | 94 | 22.2 Ų | 22.2 | 50% | 0.503 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | -7 | 179.6 | -52.7 | -19.2 | 0 | 0 | 0 | 116.2 | F201 S241 K247 | F201-D203 PolarHBondContact O-N 2.85Å; F201-D203 VanDerWaalsContact O-N 3.07Å; D203-S241 WeakPolarHBondContact OD1-CB 3.27Å; D203-K247 PolarHBondContact O-NZ 3.07Å |
| 204 | T | 74 | Confident | 85.4 | Confident | 91 Ų | 91 | 22.3 Ų | 22.3 | 56% | 0.558 | 13% | 0.125 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -113.9 | -47.2 | -164.1 | 46.3 | 0 | 0 | 0 | 0 | 111.1 | F201 D202 K247 | F201-T204 PolarHBondContact O-N 2.87Å; F201-T204 VanDerWaalsContact O-N 3.16Å; D202-T204 WeakPolarHBondContact O-CB 3.46Å; D202-T204 WeakPolarHBondContact O-CG2 3.4Å; D202-T204 PolarHBondContact O-N 2.77Å; D202-T204 PolarHBondContact O-OG1 3.07Å; T204-K247 VanDerWaalsContact C-NZ 3.34Å; T204-K247 PolarHBondContact O-NZ 3.44Å |
| 205 | L | 80 | Confident | 85.2 | Confident | 42 Ų | 42 | 24.1 Ų | 24.1 | 22% | 0.22 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 137.3 | -171.6 | -61.1 | 174.6 | 0 | 0 | 0 | 110.7 | L18 V200 F201 | L18-L205 HydrophobicContact CB-CD1 3.75Å; V200-L205 WeakPolarHBondContact CA-O 3.47Å; F201-L205 HydrophobicContact CB-CB 4.24Å; F201-L205 PolarHBondContact N-O 2.85Å; F201-L205 PolarHBondContact O-N 3.49Å |
| 206 | L | 84 | Confident | 85 | Confident | 18 Ų | 18 | 30 Ų | 30 | 9% | 0.094 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 122.1 | -179.9 | -174.1 | 136.9 | 0 | 0 | 0 | 108.7 | F198 V200 V208 C251 | F198-L206 HydrophobicContact CB-CD1 4.34Å; F198-L206 HydrophobicContact CB-CD2 4.32Å; F198-L206 HydrophobicContact CB-CG 4.32Å; F198-L206 HydrophobicContact CD1-CD2 3.5Å; F198-L206 HydrophobicContact CD1-CG 4.38Å; F198-L206 HydrophobicContact CE1-CD2 4.18Å; F198-L206 HydrophobicContact CG-CD2 4.25Å; V200-L206 HydrophobicContact CG2-CD1 4.27Å; L206-V208 HydrophobicContact CD2-CG2 4.35Å; L206-C251 WeakPolarHBondContact CD1-SG 3.29Å |
| 207 | I | 87.9 | Confident | 84.7 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 148.3 | 174 | 61.1 | 157.8 | 0 | 0 | 0 | 109.8 | L18 L29 F198 A199 F201 P210 E214 | L18-I207 HydrophobicContact CD2-CG2 3.75Å; L29-I207 HydrophobicContact CD2-CG2 3.71Å; F198-I207 CarbonylContact C-O 3.58Å; F198-I207 VanDerWaalsContact CA-O 3.26Å; F198-I207 WeakPolarHBondContact CA-O 3.42Å; A199-I207 HydrophobicContact CB-CD1 3.97Å; A199-I207 HydrophobicContact CB-CG1 3.68Å; A199-I207 PolarHBondContact N-O 2.93Å; A199-I207 WeakPolarHBondContact O-CG1 3.14Å; A199-I207 PolarHBondContact O-N 2.67Å; F201-I207 HydrophobicContact CD2-CD1 4.27Å; F201-I207 HydrophobicContact CD2-CG1 4.12Å; F201-I207 HydrophobicContact CD2-CG2 4.47Å; F201-I207 HydrophobicContact CE2-CD1 3.56Å; F201-I207 HydrophobicContact CE2-CG1 3.88Å; I207-P210 HydrophobicContact CD1-CB 3.85Å; I207-E214 HydrophobicContact CD1-CB 3.83Å; I207-E214 HydrophobicContact CD1-CG 4.12Å; I207-E214 WeakPolarHBondContact CD1-OE2 3.49Å |
| 208 | V | 87.7 | Confident | 84.4 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 142.6 | 175.9 | -167 | 0 | 0 | 0 | 0 | 108.7 | R23 L29 F32 F198 L206 | R23-V208 PolarHBondContact NH1-O 3.04Å; L29-V208 WeakPolarHBondContact O-CG2 3.42Å; L29-V208 PolarHBondContact O-N 3.42Å; F32-V208 HydrophobicContact CD1-CG1 4.13Å; F32-V208 HydrophobicContact CD2-CG1 4.39Å; F32-V208 HydrophobicContact CE1-CG1 3.36Å; F32-V208 HydrophobicContact CE2-CG1 3.66Å; F32-V208 HydrophobicContact CZ-CB 4.4Å; F32-V208 HydrophobicContact CZ-CG1 3.09Å; F198-V208 HydrophobicContact CD1-CB 4.27Å; F198-V208 HydrophobicContact CD1-CG1 4.13Å; F198-V208 HydrophobicContact CD1-CG2 3.76Å; F198-V208 HydrophobicContact CE1-CB 4.33Å; F198-V208 HydrophobicContact CE1-CG1 3.9Å; F198-V208 HydrophobicContact CE1-CG2 3.67Å; L206-V208 HydrophobicContact CD2-CG2 4.35Å |
| 209 | D | 87.9 | Confident | 84.2 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | S | Bend | trans | 54.3 | 67.2 | -179.7 | 179.7 | 55 | 0 | 0 | 0 | 112.3 | R23 R27 F32 R33 N147 S197 | R23-D209 PolarHBondContact NH2-O 3.08Å; R27-D209 IonicContact NH1-OD2 2.99Å; R27-D209 PolarHBondContact NH1-OD2 2.86Å; F32-D209 HydrophobicContact CD1-CB 3.87Å; F32-D209 HydrophobicContact CE1-CB 4.37Å; R33-D209 VanDerWaalsContact CG-OD2 3.27Å; R33-D209 WeakPolarHBondContact CG-OD2 2.76Å; R33-D209 IonicContact CZ-OD2 2.8Å; R33-D209 PolarHBondContact N-OD2 2.82Å; R33-D209 IonicContact NE-OD2 3.59Å; R33-D209 PolarHBondContact NE-OD2 2.87Å; R33-D209 PolarHBondContact NH2-O 2.74Å; R33-D209 IonicContact NH2-OD1 3.65Å; R33-D209 IonicContact NH2-OD2 3.45Å; N147-D209 WeakPolarHBondContact CB-OD1 3.2Å; N147-D209 PolarHBondContact ND2-OD1 3.47Å; S197-D209 PolarHBondContact O-N 2.79Å |
| 210 | P | 88.2 | Confident | 84 | Confident | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.019 | 19% | 0.192 | C | C | . | . | trans | -64.3 | 142.1 | -177.8 | 28.9 | -35.8 | 0 | 0 | 0 | 111.9 | R33 A199 I207 E214 E215 | R33-P210 PolarHBondContact NH2-O 2.8Å; A199-P210 HydrophobicContact CB-CB 3.71Å; A199-P210 HydrophobicContact CB-CG 3.99Å; I207-P210 HydrophobicContact CD1-CB 3.85Å; P210-E214 WeakPolarHBondContact CA-OE2 3.08Å; P210-E214 HydrophobicContact CB-CB 4.24Å; P210-E215 HydrophobicContact CB-CB 4.33Å | ||
| 211 | T | 88.2 | Confident | 84.1 | Confident | 15 Ų | 15 | 36.1 Ų | 36.1 | 9% | 0.092 | 20% | 0.199 | C | C | . | . | trans | -73.6 | 161.8 | 167.8 | 66 | 0 | 0 | 0 | 0 | 110.9 | D145 E213 E214 E215 | D145-T211 WeakPolarHBondContact O-CA 3.18Å; T211-E213 PolarHBondContact O-N 2.9Å; T211-E214 PolarHBondContact N-OE2 2.84Å; T211-E214 PolarHBondContact O-N 3.23Å; T211-E214 VanDerWaalsContact OG1-CG 3.25Å; T211-E214 WeakPolarHBondContact OG1-CG 3.26Å; T211-E214 PolarHBondContact OG1-N 3.07Å; T211-E214 PolarHBondContact OG1-OE2 3.4Å; T211-E215 WeakPolarHBondContact O-CB 3.49Å; T211-E215 PolarHBondContact O-N 3.34Å | ||
| 212 | G | 86 | Confident | 84.4 | Confident | 15 Ų | 15 | 36 Ų | 36 | 16% | 0.155 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.8 | -30.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | D145 H216 | D145-G212 VanDerWaalsContact C-N 3.29Å; D145-G212 PolarHBondContact O-N 3.29Å; G212-H216 PolarHBondContact O-N 2.85Å |
| 213 | E | 85.7 | Confident | 85.3 | Confident | 87 Ų | 87 | 33.3 Ų | 33.3 | 41% | 0.407 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -71.1 | -46.9 | 171.7 | -69.3 | -172.2 | 118.8 | 0 | 0 | 111.8 | K6 Y14 T211 E215 H216 L217 | K6-E213 WeakPolarHBondContact CE-OE1 3.46Å; K6-E213 WeakPolarHBondContact CE-OE2 3.45Å; K6-E213 IonicContact NZ-OE1 2.77Å; K6-E213 PolarHBondContact NZ-OE1 3.14Å; K6-E213 IonicContact NZ-OE2 3.09Å; K6-E213 PolarHBondContact NZ-OE2 2.74Å; Y14-E213 HydrophobicContact CE2-CB 4.48Å; Y14-E213 PolarHBondContact OH-OE2 3.16Å; T211-E213 PolarHBondContact O-N 2.9Å; E213-E215 VanDerWaalsContact C-N 3.34Å; E213-E215 PolarHBondContact O-N 3.3Å; E213-H216 PolarHBondContact O-N 2.91Å; E213-L217 WeakPolarHBondContact O-CD1 3.45Å; E213-L217 WeakPolarHBondContact O-CG 3.48Å; E213-L217 PolarHBondContact O-N 3.45Å |
| 214 | E | 85.8 | Confident | 86.3 | Confident | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.8 | -40.8 | -179.9 | -72.1 | 167.3 | 169.5 | 0 | 0 | 111.8 | Y14 R23 F201 I207 P210 T211 H216 L217 S218 | Y14-E214 HydrophobicContact CD1-CG 3.86Å; Y14-E214 HydrophobicContact CE1-CG 3.35Å; R23-E214 IonicContact CZ-OE1 3.58Å; R23-E214 IonicContact CZ-OE2 3.98Å; R23-E214 IonicContact NE-OE1 2.76Å; R23-E214 PolarHBondContact NE-OE1 3.44Å; R23-E214 IonicContact NE-OE2 3.26Å; R23-E214 IonicContact NH2-OE1 2.67Å; R23-E214 PolarHBondContact NH2-OE1 2.94Å; R23-E214 IonicContact NH2-OE2 2.61Å; R23-E214 PolarHBondContact NH2-OE2 2.91Å; F201-E214 HydrophobicContact CE2-CB 4.29Å; F201-E214 HydrophobicContact CZ-CB 4.02Å; F201-E214 HydrophobicContact CZ-CG 4.45Å; F201-E214 VanDerWaalsContact CZ-O 3.26Å; F201-E214 WeakPolarHBondContact CZ-O 3.21Å; I207-E214 HydrophobicContact CD1-CB 3.83Å; I207-E214 HydrophobicContact CD1-CG 4.12Å; I207-E214 WeakPolarHBondContact CD1-OE2 3.49Å; P210-E214 WeakPolarHBondContact CA-OE2 3.08Å; P210-E214 HydrophobicContact CB-CB 4.24Å; T211-E214 PolarHBondContact N-OE2 2.84Å; T211-E214 PolarHBondContact O-N 3.23Å; T211-E214 VanDerWaalsContact OG1-CG 3.25Å; T211-E214 WeakPolarHBondContact OG1-CG 3.26Å; T211-E214 PolarHBondContact OG1-N 3.07Å; T211-E214 PolarHBondContact OG1-OE2 3.4Å; E214-H216 VanDerWaalsContact C-N 3.31Å; E214-H216 PolarHBondContact O-N 2.81Å; E214-L217 CarbonylContact O-C 3.03Å; E214-L217 PolarHBondContact O-N 3.5Å; E214-S218 VanDerWaalsContact O-CB 3.26Å; E214-S218 WeakPolarHBondContact O-CB 3.46Å; E214-S218 PolarHBondContact O-N 3.19Å |
| 215 | E | 86.3 | Confident | 87.2 | Confident | 47 Ų | 47 | 24.5 Ų | 24.5 | 22% | 0.22 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.9 | -43.5 | 176.3 | -174 | 165.5 | -177.3 | 0 | 0 | 111 | N147 P210 T211 E213 L217 S218 T221 | N147-E215 PolarHBondContact N-OE2 3.03Å; P210-E215 HydrophobicContact CB-CB 4.33Å; T211-E215 WeakPolarHBondContact O-CB 3.49Å; T211-E215 PolarHBondContact O-N 3.34Å; E213-E215 VanDerWaalsContact C-N 3.34Å; E213-E215 PolarHBondContact O-N 3.3Å; E215-L217 VanDerWaalsContact C-N 3.33Å; E215-L217 PolarHBondContact O-N 3.27Å; E215-S218 PolarHBondContact O-N 2.85Å; E215-S218 PolarHBondContact O-OG 3.16Å; E215-T221 HydrophobicContact CG-CG2 4.05Å |
| 216 | H | 86.2 | Confident | 87.6 | Confident | 127 Ų | 127 | 22.8 Ų | 22.8 | 59% | 0.588 | 12% | 0.124 | S | C | * | . | H | α-helix | trans | -65.6 | -34.2 | 176.9 | -174.7 | 52.2 | 0 | 0 | 0 | 113.6 | R92 G212 E213 E214 | R92-H216 PolarHBondContact NH2-ND1 3.13Å; G212-H216 PolarHBondContact O-N 2.85Å; E213-H216 PolarHBondContact O-N 2.91Å; E214-H216 VanDerWaalsContact C-N 3.31Å; E214-H216 PolarHBondContact O-N 2.81Å |
| 217 | L | 85.3 | Confident | 87.7 | Confident | 28 Ų | 28 | 22.5 Ų | 22.5 | 15% | 0.147 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -86.8 | -12.4 | -179.8 | -63 | 168.5 | 0 | 0 | 0 | 112.7 | P10 L11 Y14 F201 E213 E214 E215 | P10-L217 HydrophobicContact CB-CD1 4.11Å; P10-L217 HydrophobicContact CB-CD2 4.12Å; P10-L217 HydrophobicContact CG-CD2 4.11Å; L11-L217 HydrophobicContact CD2-CB 3.86Å; L11-L217 HydrophobicContact CD2-CD2 3.47Å; L11-L217 VanDerWaalsContact CD2-CD2 3.47Å; L11-L217 HydrophobicContact CD2-CG 4.2Å; L11-L217 HydrophobicContact CG-CD2 3.75Å; Y14-L217 HydrophobicContact CD2-CD1 3.49Å; Y14-L217 VanDerWaalsContact CD2-CD1 3.49Å; Y14-L217 HydrophobicContact CE2-CD1 3.79Å; Y14-L217 HydrophobicContact CG-CD1 4.02Å; F201-L217 HydrophobicContact CE1-CB 4Å; F201-L217 HydrophobicContact CZ-CB 4.4Å; E213-L217 WeakPolarHBondContact O-CD1 3.45Å; E213-L217 WeakPolarHBondContact O-CG 3.48Å; E213-L217 PolarHBondContact O-N 3.45Å; E214-L217 CarbonylContact O-C 3.03Å; E214-L217 PolarHBondContact O-N 3.5Å; E215-L217 VanDerWaalsContact C-N 3.33Å; E215-L217 PolarHBondContact O-N 3.27Å |
| 218 | S | 84.9 | Confident | 87.3 | Confident | 23 Ų | 23 | 26.7 Ų | 26.7 | 16% | 0.161 | 14% | 0.143 | C | C | . | . | trans | -71.6 | 151.3 | -175.3 | 73.6 | 0 | 0 | 0 | 0 | 112.1 | E214 E215 | E214-S218 VanDerWaalsContact O-CB 3.26Å; E214-S218 WeakPolarHBondContact O-CB 3.46Å; E214-S218 PolarHBondContact O-N 3.19Å; E215-S218 PolarHBondContact O-N 2.85Å; E215-S218 PolarHBondContact O-OG 3.16Å | ||
| 219 | T | 85.7 | Confident | 86.9 | Confident | 56 Ų | 56 | 33.2 Ų | 33.2 | 34% | 0.344 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -85.4 | -14.9 | 177.4 | 60.3 | 0 | 0 | 0 | 0 | 112.7 | V200 G240 S241 | V200-T219 PolarHBondContact O-N 2.9Å; V200-T219 PolarHBondContact O-OG1 3.07Å; T219-G240 WeakPolarHBondContact O-CA 3.26Å; T219-S241 PolarHBondContact O-N 2.91Å; T219-S241 PolarHBondContact OG1-OG 3.44Å; T219-S241 VanDerWaalsContact OG1-OG 3.13Å |
| 220 | G | 86.4 | Confident | 86.3 | Confident | 9 Ų | 9 | 35.2 Ų | 35.2 | 9% | 0.093 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -174.7 | 147.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | V200 | V200-G220 PolarHBondContact N-O 3.41Å |
| 221 | T | 88.8 | Confident | 86.1 | Confident | 33 Ų | 33 | 40.5 Ų | 40.5 | 20% | 0.202 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 149.5 | 174.1 | 51.6 | 0 | 0 | 0 | 0 | 109.9 | F198 E215 P238 | F198-T221 CarbonylContact O-C 3.6Å; F198-T221 WeakPolarHBondContact O-CA 3.5Å; E215-T221 HydrophobicContact CG-CG2 4.05Å; T221-P238 VanDerWaalsContact OG1-CG 3.3Å; T221-P238 WeakPolarHBondContact OG1-CG 3.26Å |
| 222 | L | 90.3 | Very high | 86.1 | Confident | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 121.6 | 178.2 | 175.3 | 73.3 | 0 | 0 | 0 | 108.3 | S197 F198 I224 L235 H236 K237 L243 C251 | S197-L222 CarbonylContact C-O 3.6Å; F198-L222 HydrophobicContact CB-CB 4.32Å; F198-L222 WeakPolarHBondContact CB-O 3.26Å; F198-L222 HydrophobicContact CD2-CD2 4.48Å; F198-L222 PolarHBondContact N-O 3.19Å; F198-L222 PolarHBondContact O-N 3.31Å; L222-I224 HydrophobicContact CD2-CD1 3.98Å; L222-I224 HydrophobicContact CD2-CG1 4.22Å; L222-I224 HydrophobicContact CG-CD1 4.44Å; L222-I224 HydrophobicContact CG-CG1 4.12Å; L222-L235 HydrophobicContact CD1-CD1 4.22Å; L222-L235 HydrophobicContact CD1-CD2 3.74Å; L222-L235 HydrophobicContact CD1-CG 3.86Å; L222-H236 WeakPolarHBondContact CA-O 3.43Å; L222-K237 HydrophobicContact CD1-CB 4.04Å; L222-K237 HydrophobicContact CD1-CG 4.45Å; L222-L243 HydrophobicContact CD2-CD2 3.83Å; L222-C251 HydrophobicContact CD2-CB 4.44Å |
| 223 | T | 91.6 | Very high | 86 | Confident | 4 Ų | 4 | 44.5 Ų | 44.5 | 3% | 0.025 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 127.1 | 173.8 | -55.4 | 0 | 0 | 0 | 0 | 109.3 | F108 L149 A195 T196 S197 H236 | F108-T223 HydrophobicContact CE1-CG2 4.31Å; F108-T223 HydrophobicContact CE2-CG2 4.47Å; F108-T223 HydrophobicContact CZ-CG2 3.71Å; L149-T223 HydrophobicContact CB-CG2 4.2Å; L149-T223 HydrophobicContact CD1-CG2 4.24Å; L149-T223 VanDerWaalsContact CD1-OG1 3.24Å; L149-T223 WeakPolarHBondContact CD1-OG1 3.47Å; A195-T223 HydrophobicContact CB-CG2 4.1Å; T196-T223 WeakPolarHBondContact O-CA 3.42Å; S197-T223 WeakPolarHBondContact OG-CG2 3.49Å; S197-T223 PolarHBondContact OG-OG1 2.94Å; T223-H236 PolarHBondContact N-O 2.78Å; T223-H236 PolarHBondContact O-N 2.98Å |
| 224 | I | 92 | Very high | 86 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 124.9 | 179.8 | -61.7 | 175.7 | 0 | 0 | 0 | 107.7 | A195 T196 F198 L222 M226 L232 C251 M252 A255 | A195-I224 CarbonylContact C-O 3.23Å; T196-I224 PolarHBondContact N-O 3.24Å; T196-I224 PolarHBondContact O-N 2.99Å; T196-I224 PolarHBondContact OG1-O 3.25Å; T196-I224 VanDerWaalsContact OG1-O 3.04Å; F198-I224 HydrophobicContact CD2-CD1 4.2Å; F198-I224 HydrophobicContact CD2-CG1 4.38Å; F198-I224 HydrophobicContact CE2-CB 4.27Å; F198-I224 HydrophobicContact CE2-CD1 3.83Å; F198-I224 HydrophobicContact CE2-CG1 4.18Å; L222-I224 HydrophobicContact CD2-CD1 3.98Å; L222-I224 HydrophobicContact CD2-CG1 4.22Å; L222-I224 HydrophobicContact CG-CD1 4.44Å; L222-I224 HydrophobicContact CG-CG1 4.12Å; I224-M226 HydrophobicContact CG2-CG 3.79Å; I224-M226 HydrophobicContact CG2-SD 4.37Å; I224-L232 HydrophobicContact CG2-CD1 3.59Å; I224-C251 HydrophobicContact CD1-CB 3.58Å; I224-M252 HydrophobicContact CD1-CG 4.47Å; I224-A255 HydrophobicContact CG2-CB 4.37Å |
| 225 | V | 91.6 | Very high | 86.2 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 124.8 | 174.1 | -171.8 | 0 | 0 | 0 | 0 | 108.9 | F108 V112 P193 V194 A195 C233 S234 | F108-V225 HydrophobicContact CE1-CG2 4.32Å; F108-V225 HydrophobicContact CE2-CG2 4.24Å; F108-V225 HydrophobicContact CZ-CG2 3.5Å; F108-V225 VanDerWaalsContact CZ-CG2 3.5Å; V112-V225 HydrophobicContact CG1-CG1 4.08Å; V112-V225 HydrophobicContact CG2-CB 4.47Å; V112-V225 HydrophobicContact CG2-CG1 4.33Å; V112-V225 HydrophobicContact CG2-CG2 3.83Å; P193-V225 HydrophobicContact CB-CG1 3.69Å; V194-V225 WeakPolarHBondContact O-CA 3.44Å; A195-V225 HydrophobicContact CB-CG2 3.79Å; V225-C233 HydrophobicContact CB-CB 4.29Å; V225-C233 HydrophobicContact CG1-CB 4.07Å; V225-C233 PolarHBondContact O-N 2.84Å; V225-S234 WeakPolarHBondContact CB-OG 3.33Å; V225-S234 WeakPolarHBondContact CG2-OG 3.32Å; V225-S234 PolarHBondContact N-O 3.14Å; V225-S234 PolarHBondContact O-N 3.01Å |
| 226 | M | 89.6 | Confident | 86.4 | Confident | 6 Ų | 6 | 44.7 Ų | 44.7 | 3% | 0.03 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 152.9 | 175.3 | -32.4 | 151.5 | -63.6 | 0 | 0 | 111.4 | P193 V194 I224 K231 A255 V256 H259 | P193-M226 WeakPolarHBondContact CA-O 3.27Å; V194-M226 PolarHBondContact N-O 2.85Å; V194-M226 PolarHBondContact O-N 3.32Å; V194-M226 VanDerWaalsContact O-N 3.12Å; I224-M226 HydrophobicContact CG2-CG 3.79Å; I224-M226 HydrophobicContact CG2-SD 4.37Å; M226-K231 VanDerWaalsContact CA-O 3.28Å; M226-K231 WeakPolarHBondContact CA-O 3.39Å; M226-K231 WeakPolarHBondContact CB-O 3.49Å; M226-A255 HydrophobicContact CE-CB 3.4Å; M226-A255 WeakPolarHBondContact CE-O 3.26Å; M226-A255 HydrophobicContact SD-CB 3.4Å; M226-A255 WeakPolarHBondContact SD-CB 3.33Å; M226-V256 HydrophobicContact CE-CG2 4.36Å; M226-V256 VanDerWaalsContact CE-N 3.29Å; M226-V256 HydrophobicContact SD-CB 4.38Å; M226-V256 HydrophobicContact SD-CG2 3.55Å; M226-V256 VanDerWaalsContact SD-CG2 3.55Å; M226-V256 PolarHBondContact SD-N 3.12Å; M226-H259 HydrophobicContact CE-CB 3.72Å; M226-H259 PolarHBondContact O-CE1 2.9Å; M226-H259 VanDerWaalsContact O-CE1 3.24Å; M226-H259 PolarHBondContact O-ND1 3.25Å |
| 227 | D | 86.6 | Confident | 86.5 | Confident | 12 Ų | 12 | 42.5 Ų | 42.5 | 6% | 0.064 | 23% | 0.229 | C | C | . | . | trans | -89 | 171.8 | 176.4 | -161.2 | 11.1 | 0 | 0 | 0 | 112.5 | T191 N192 E229 G230 K231 | T191-D227 VanDerWaalsContact CB-OD1 3.28Å; T191-D227 WeakPolarHBondContact CB-OD1 3.3Å; T191-D227 WeakPolarHBondContact CG2-OD2 3.19Å; N192-D227 PolarHBondContact N-OD1 2.84Å; D227-E229 PolarHBondContact O-N 3.46Å; D227-G230 WeakPolarHBondContact O-CA 3.4Å; D227-G230 PolarHBondContact O-N 2.62Å; D227-K231 HydrophobicContact CB-CB 4.4Å; D227-K231 PolarHBondContact N-O 3.39Å | ||
| 228 | E | 79.3 | Confident | 86.4 | Confident | 89 Ų | 89 | 45.1 Ų | 45.1 | 42% | 0.416 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -32.5 | -179.9 | -65 | -176.8 | 135.7 | 0 | 0 | 112.9 | N192 G230 H259 N263 | N192-E228 HydrophobicContact CB-CG 3.9Å; N192-E228 PolarHBondContact ND2-OE1 2.89Å; E228-G230 PolarHBondContact O-N 2.94Å; E228-H259 VanDerWaalsContact CA-NE2 3.31Å; E228-H259 WeakPolarHBondContact CA-NE2 3.26Å; E228-H259 PolarHBondContact N-CE1 2.85Å; E228-H259 PolarHBondContact N-NE2 3.01Å; E228-N263 PolarHBondContact OE1-ND2 2.87Å |
| 229 | E | 78.8 | Confident | 86.1 | Confident | 138 Ų | 138 | 45.7 Ų | 45.7 | 65% | 0.645 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | 2.7 | 176.1 | -62.9 | -174.8 | 91 | 0 | 0 | 113.2 | D227 K231 | D227-E229 PolarHBondContact O-N 3.46Å; E229-K231 HydrophobicContact CB-CD 4.29Å; E229-K231 HydrophobicContact CB-CG 4.23Å; E229-K231 VanDerWaalsContact CD-NZ 3.32Å; E229-K231 PolarHBondContact O-N 2.96Å; E229-K231 IonicContact OE1-NZ 2.62Å; E229-K231 PolarHBondContact OE1-NZ 3.38Å; E229-K231 WeakPolarHBondContact OE2-CE 3.46Å; E229-K231 IonicContact OE2-NZ 3.73Å; E229-K231 PolarHBondContact OE2-NZ 3.04Å |
| 230 | G | 74.5 | Confident | 85.8 | Confident | 43 Ų | 43 | 45.6 Ų | 45.6 | 44% | 0.443 | 27% | 0.266 | S | S | . | . | S | Bend | trans | 72.5 | 16.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | D227 E228 | D227-G230 WeakPolarHBondContact O-CA 3.4Å; D227-G230 PolarHBondContact O-N 2.62Å; E228-G230 PolarHBondContact O-N 2.94Å |
| 231 | K | 85.1 | Confident | 85.3 | Confident | 114 Ų | 114 | 46 Ų | 46 | 50% | 0.496 | 27% | 0.268 | S | S | . | . | trans | -77.1 | 134.1 | 173.9 | -67.7 | 173 | -175.2 | 160 | 0 | 109.5 | M226 D227 E229 C233 | M226-K231 VanDerWaalsContact CA-O 3.28Å; M226-K231 WeakPolarHBondContact CA-O 3.39Å; M226-K231 WeakPolarHBondContact CB-O 3.49Å; D227-K231 HydrophobicContact CB-CB 4.4Å; D227-K231 PolarHBondContact N-O 3.39Å; E229-K231 HydrophobicContact CB-CD 4.29Å; E229-K231 HydrophobicContact CB-CG 4.23Å; E229-K231 VanDerWaalsContact CD-NZ 3.32Å; E229-K231 PolarHBondContact O-N 2.96Å; E229-K231 IonicContact OE1-NZ 2.62Å; E229-K231 PolarHBondContact OE1-NZ 3.38Å; E229-K231 WeakPolarHBondContact OE2-CE 3.46Å; E229-K231 IonicContact OE2-NZ 3.73Å; E229-K231 PolarHBondContact OE2-NZ 3.04Å; K231-C233 PolarHBondContact O-N 3.01Å | ||
| 232 | L | 87.3 | Confident | 84.8 | Confident | 88 Ų | 88 | 47.5 Ų | 47.5 | 46% | 0.461 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 115.5 | 173.6 | -177 | 71.8 | 0 | 0 | 0 | 109 | I224 L235 | I224-L232 HydrophobicContact CG2-CD1 3.59Å; L232-L235 HydrophobicContact CD2-CB 4.47Å |
| 233 | C | 83.6 | Confident | 84.2 | Confident | 25 Ų | 25 | 49.4 Ų | 49.4 | 17% | 0.169 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | -52.1 | 175.5 | -65.7 | 0 | 0 | 0 | 0 | 110.7 | V225 K231 | V225-C233 HydrophobicContact CB-CB 4.29Å; V225-C233 HydrophobicContact CG1-CB 4.07Å; V225-C233 PolarHBondContact O-N 2.84Å; K231-C233 PolarHBondContact O-N 3.01Å |
| 234 | S | 86.4 | Confident | 83.9 | Confident | 18 Ų | 18 | 53.4 Ų | 53.4 | 13% | 0.126 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 148.8 | 179.8 | 65.9 | 0 | 0 | 0 | 0 | 111.3 | V225 | V225-S234 WeakPolarHBondContact CB-OG 3.33Å; V225-S234 WeakPolarHBondContact CG2-OG 3.32Å; V225-S234 PolarHBondContact N-O 3.14Å; V225-S234 PolarHBondContact O-N 3.01Å |
| 235 | L | 90.3 | Very high | 83.6 | Confident | 72 Ų | 72 | 55.8 Ų | 55.8 | 38% | 0.377 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 119.1 | 171.3 | -177 | 152.3 | 0 | 0 | 0 | 107.2 | L222 L232 K237 L248 | L222-L235 HydrophobicContact CD1-CD1 4.22Å; L222-L235 HydrophobicContact CD1-CD2 3.74Å; L222-L235 HydrophobicContact CD1-CG 3.86Å; L232-L235 HydrophobicContact CD2-CB 4.47Å; L235-K237 HydrophobicContact CD2-CB 4.22Å; L235-L248 HydrophobicContact CD1-CD1 4.28Å; L235-L248 HydrophobicContact CD1-CD2 4.12Å |
| 236 | H | 89.5 | Confident | 83.4 | Confident | 49 Ų | 49 | 59.4 Ų | 59.4 | 23% | 0.227 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 117.1 | 179.1 | -175.2 | 76 | 0 | 0 | 0 | 109.7 | F108 L222 T223 | F108-H236 HydrophobicContact CD2-CB 3.76Å; F108-H236 AromaticContact CD2-CG 3.91Å; F108-H236 HydrophobicContact CE2-CB 3.49Å; F108-H236 VanDerWaalsContact CE2-CB 3.49Å; L222-H236 WeakPolarHBondContact CA-O 3.43Å; T223-H236 PolarHBondContact N-O 2.78Å; T223-H236 PolarHBondContact O-N 2.98Å |
| 237 | K | 89 | Confident | 83.1 | Confident | 82 Ų | 82 | 61.9 Ų | 61.9 | 36% | 0.357 | 39% | 0.39 | S | S | . | . | trans | -129.6 | 94.8 | 174.7 | -173.1 | -176.2 | -170.7 | -66.6 | 0 | 107.7 | L222 L235 G239 G240 S241 | L222-K237 HydrophobicContact CD1-CB 4.04Å; L222-K237 HydrophobicContact CD1-CG 4.45Å; L235-K237 HydrophobicContact CD2-CB 4.22Å; K237-G239 PolarHBondContact NZ-O 3.17Å; K237-G239 PolarHBondContact O-N 3.02Å; K237-G239 VanDerWaalsContact O-N 3.15Å; K237-G240 PolarHBondContact NZ-O 2.81Å; K237-S241 WeakPolarHBondContact CE-O 3.47Å; K237-S241 PolarHBondContact NZ-O 2.86Å | ||
| 238 | P | 82.4 | Confident | 83.1 | Confident | 83 Ų | 83 | 63.4 Ų | 63.4 | 54% | 0.539 | 40% | 0.398 | S | S | . | . | trans | -71.4 | -6.3 | -174.7 | 27.4 | -32.8 | 0 | 0 | 0 | 113.5 | T221 | T221-P238 VanDerWaalsContact OG1-CG 3.3Å; T221-P238 WeakPolarHBondContact OG1-CG 3.26Å | ||
| 239 | G | 80.4 | Confident | 83.5 | Confident | 34 Ų | 34 | 64.8 Ų | 64.8 | 35% | 0.351 | 40% | 0.404 | S | S | . | . | S | Bend | trans | 155.5 | -160.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | K237 | K237-G239 PolarHBondContact NZ-O 3.17Å; K237-G239 PolarHBondContact O-N 3.02Å; K237-G239 VanDerWaalsContact O-N 3.15Å |
| 240 | G | 77.8 | Confident | 83.9 | Confident | 54 Ų | 54 | 61.1 Ų | 61.1 | 56% | 0.557 | 39% | 0.389 | S | S | * | . | trans | 90.6 | -165.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | T219 K237 | T219-G240 WeakPolarHBondContact O-CA 3.26Å; K237-G240 PolarHBondContact NZ-O 2.81Å | ||
| 241 | S | 77.2 | Confident | 84.5 | Confident | 18 Ų | 18 | 59 Ų | 59 | 13% | 0.126 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -52.5 | 151.9 | -175.3 | 44.5 | 0 | 0 | 0 | 0 | 115.1 | D203 T219 K237 | D203-S241 WeakPolarHBondContact OD1-CB 3.27Å; T219-S241 PolarHBondContact O-N 2.91Å; T219-S241 PolarHBondContact OG1-OG 3.44Å; T219-S241 VanDerWaalsContact OG1-OG 3.13Å; K237-S241 WeakPolarHBondContact CE-O 3.47Å; K237-S241 PolarHBondContact NZ-O 2.86Å |
| 242 | G | 77.1 | Confident | 84.7 | Confident | 65 Ų | 65 | 56 Ų | 56 | 67% | 0.67 | 36% | 0.356 | S | S | * | . | P | Polyproline II helix | trans | -71 | 130.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 243 | L | 79 | Confident | 84.8 | Confident | 43 Ų | 43 | 54.8 Ų | 54.8 | 23% | 0.225 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -102.4 | 128.2 | 177.6 | -164.6 | 73 | 0 | 0 | 0 | 110.4 | V200 L222 K247 L248 | V200-L243 HydrophobicContact CG2-CD1 4.37Å; L222-L243 HydrophobicContact CD2-CD2 3.83Å; L243-K247 HydrophobicContact CD1-CB 3.75Å; L243-K247 HydrophobicContact CD1-CD 4.01Å; L243-K247 HydrophobicContact CG-CB 4.05Å; L243-L248 HydrophobicContact CD2-CB 3.77Å; L243-L248 HydrophobicContact CD2-CD1 4.15Å; L243-L248 HydrophobicContact CD2-CG 3.86Å |
| 244 | T | 84.9 | Confident | 84.9 | Confident | 89 Ų | 89 | 57.7 Ų | 57.7 | 55% | 0.546 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 142 | 172.2 | -42.1 | 0 | 0 | 0 | 0 | 110.3 | A246 K247 L248 | T244-A246 HydrophobicContact CG2-CB 4.45Å; T244-A246 PolarHBondContact O-N 3.41Å; T244-A246 VanDerWaalsContact O-N 3.14Å; T244-K247 WeakPolarHBondContact O-CB 3.21Å; T244-K247 PolarHBondContact O-N 2.8Å; T244-L248 PolarHBondContact O-N 3.19Å; T244-L248 VanDerWaalsContact O-N 3.14Å |
| 245 | G | 85.1 | Confident | 85 | Confident | 50 Ų | 50 | 56.8 Ų | 56.8 | 52% | 0.515 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -54.1 | -34.9 | 178 | 0 | 0 | 0 | 0 | 0 | 114 | K247 L248 Q249 | G245-K247 PolarHBondContact O-N 3.19Å; G245-L248 WeakPolarHBondContact O-CB 3.05Å; G245-L248 PolarHBondContact O-N 2.93Å; G245-Q249 WeakPolarHBondContact O-CG 3.47Å; G245-Q249 PolarHBondContact O-N 2.76Å |
| 246 | A | 86.6 | Confident | 85 | Confident | 76 Ų | 76 | 55.5 Ų | 55.5 | 63% | 0.628 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -62.4 | -38.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | T244 Q249 D250 | T244-A246 HydrophobicContact CG2-CB 4.45Å; T244-A246 PolarHBondContact O-N 3.41Å; T244-A246 VanDerWaalsContact O-N 3.14Å; A246-Q249 PolarHBondContact O-N 3.2Å; A246-D250 PolarHBondContact O-N 2.72Å; A246-D250 VanDerWaalsContact O-N 3.11Å |
| 247 | K | 84.2 | Confident | 85 | Confident | 58 Ų | 58 | 56.5 Ų | 56.5 | 25% | 0.252 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -69.7 | -39.4 | 176.1 | -65 | -170.3 | -178.8 | -166.5 | 0 | 111.3 | D203 T204 L243 T244 G245 Q249 D250 C251 | D203-K247 PolarHBondContact O-NZ 3.07Å; T204-K247 VanDerWaalsContact C-NZ 3.34Å; T204-K247 PolarHBondContact O-NZ 3.44Å; L243-K247 HydrophobicContact CD1-CB 3.75Å; L243-K247 HydrophobicContact CD1-CD 4.01Å; L243-K247 HydrophobicContact CG-CB 4.05Å; T244-K247 WeakPolarHBondContact O-CB 3.21Å; T244-K247 PolarHBondContact O-N 2.8Å; G245-K247 PolarHBondContact O-N 3.19Å; K247-Q249 VanDerWaalsContact C-N 3.27Å; K247-Q249 PolarHBondContact O-N 2.98Å; K247-D250 WeakPolarHBondContact O-CB 3.32Å; K247-D250 PolarHBondContact O-N 3.46Å; K247-D250 VanDerWaalsContact O-N 3.12Å; K247-C251 PolarHBondContact O-N 2.85Å; K247-C251 PolarHBondContact O-SG 3.01Å |
| 248 | L | 86.9 | Confident | 84.9 | Confident | 43 Ų | 43 | 53.5 Ų | 53.5 | 23% | 0.225 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.4 | -40.3 | 176.5 | -152.4 | 162.4 | 0 | 0 | 0 | 110.7 | L235 L243 T244 G245 C251 M252 | L235-L248 HydrophobicContact CD1-CD1 4.28Å; L235-L248 HydrophobicContact CD1-CD2 4.12Å; L243-L248 HydrophobicContact CD2-CB 3.77Å; L243-L248 HydrophobicContact CD2-CD1 4.15Å; L243-L248 HydrophobicContact CD2-CG 3.86Å; T244-L248 PolarHBondContact O-N 3.19Å; T244-L248 VanDerWaalsContact O-N 3.14Å; G245-L248 WeakPolarHBondContact O-CB 3.05Å; G245-L248 PolarHBondContact O-N 2.93Å; L248-C251 WeakPolarHBondContact O-CB 3.47Å; L248-C251 PolarHBondContact O-N 3.42Å; L248-M252 HydrophobicContact CD2-CE 3.05Å; L248-M252 HydrophobicContact CD2-CG 4.19Å; L248-M252 HydrophobicContact CD2-SD 4.43Å; L248-M252 HydrophobicContact CG-CE 4.49Å; L248-M252 WeakPolarHBondContact O-CG 3.34Å; L248-M252 PolarHBondContact O-N 3.44Å |
| 249 | Q | 87.9 | Confident | 85.1 | Confident | 118 Ų | 118 | 50 Ų | 50 | 55% | 0.551 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -63.7 | -41 | 172.8 | -68.4 | -63.8 | -44.4 | 0 | 0 | 112.9 | G245 A246 K247 M252 S253 | G245-Q249 WeakPolarHBondContact O-CG 3.47Å; G245-Q249 PolarHBondContact O-N 2.76Å; A246-Q249 PolarHBondContact O-N 3.2Å; K247-Q249 VanDerWaalsContact C-N 3.27Å; K247-Q249 PolarHBondContact O-N 2.98Å; Q249-M252 VanDerWaalsContact NE2-CE 3.3Å; Q249-M252 PolarHBondContact O-N 3.28Å; Q249-S253 PolarHBondContact O-N 3.19Å |
| 250 | D | 87.6 | Confident | 85.5 | Confident | 61 Ų | 61 | 54.6 Ų | 54.6 | 33% | 0.326 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.4 | -46 | 172.8 | -176.7 | 42.7 | 0 | 0 | 0 | 111.1 | A246 K247 M252 S253 R254 | A246-D250 PolarHBondContact O-N 2.72Å; A246-D250 VanDerWaalsContact O-N 3.11Å; K247-D250 WeakPolarHBondContact O-CB 3.32Å; K247-D250 PolarHBondContact O-N 3.46Å; K247-D250 VanDerWaalsContact O-N 3.12Å; D250-M252 VanDerWaalsContact C-N 3.34Å; D250-M252 PolarHBondContact O-N 3.33Å; D250-S253 PolarHBondContact O-N 3.21Å; D250-S253 VanDerWaalsContact O-N 3.13Å; D250-S253 PolarHBondContact O-OG 3.1Å; D250-R254 WeakPolarHBondContact O-CG 3.3Å; D250-R254 PolarHBondContact O-N 2.9Å; D250-R254 IonicContact OD1-CZ 3.81Å; D250-R254 IonicContact OD1-NE 3.99Å; D250-R254 PolarHBondContact OD1-NE 2.74Å; D250-R254 IonicContact OD1-NH2 3.39Å; D250-R254 IonicContact OD2-CZ 2.72Å; D250-R254 IonicContact OD2-NE 3.46Å; D250-R254 PolarHBondContact OD2-NE 3.31Å; D250-R254 IonicContact OD2-NH2 3.42Å; D250-R254 PolarHBondContact OD2-NH2 3.15Å |
| 251 | C | 86.6 | Confident | 85.9 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -55.8 | -47.4 | 174.2 | -56.8 | 0 | 0 | 0 | 0 | 111.9 | F198 L206 L222 I224 K247 L248 S253 R254 A255 | F198-C251 HydrophobicContact CD2-CB 4.32Å; F198-C251 HydrophobicContact CE1-CB 4.42Å; F198-C251 HydrophobicContact CE2-CB 4.09Å; F198-C251 HydrophobicContact CZ-CB 4.12Å; F198-C251 WeakPolarHBondContact CZ-O 3.49Å; L206-C251 WeakPolarHBondContact CD1-SG 3.29Å; L222-C251 HydrophobicContact CD2-CB 4.44Å; I224-C251 HydrophobicContact CD1-CB 3.58Å; K247-C251 PolarHBondContact O-N 2.85Å; K247-C251 PolarHBondContact O-SG 3.01Å; L248-C251 WeakPolarHBondContact O-CB 3.47Å; L248-C251 PolarHBondContact O-N 3.42Å; C251-S253 VanDerWaalsContact C-N 3.33Å; C251-S253 PolarHBondContact O-N 2.9Å; C251-R254 PolarHBondContact O-N 3.39Å; C251-A255 WeakPolarHBondContact O-CB 3.33Å; C251-A255 PolarHBondContact O-N 3.21Å |
| 252 | M | 88.7 | Confident | 86.4 | Confident | 51 Ų | 51 | 56.1 Ų | 56.1 | 25% | 0.251 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.4 | -44.2 | 177.4 | -70.2 | -171.3 | -140.2 | 0 | 0 | 111.4 | I224 L248 Q249 D250 R254 A255 V256 | I224-M252 HydrophobicContact CD1-CG 4.47Å; L248-M252 HydrophobicContact CD2-CE 3.05Å; L248-M252 HydrophobicContact CD2-CG 4.19Å; L248-M252 HydrophobicContact CD2-SD 4.43Å; L248-M252 HydrophobicContact CG-CE 4.49Å; L248-M252 WeakPolarHBondContact O-CG 3.34Å; L248-M252 PolarHBondContact O-N 3.44Å; Q249-M252 VanDerWaalsContact NE2-CE 3.3Å; Q249-M252 PolarHBondContact O-N 3.28Å; D250-M252 VanDerWaalsContact C-N 3.34Å; D250-M252 PolarHBondContact O-N 3.33Å; M252-R254 VanDerWaalsContact C-N 3.34Å; M252-R254 PolarHBondContact O-N 3.48Å; M252-A255 WeakPolarHBondContact O-CB 3.21Å; M252-A255 PolarHBondContact O-N 2.58Å; M252-V256 WeakPolarHBondContact O-CG2 3.26Å; M252-V256 PolarHBondContact O-N 3.24Å |
| 253 | S | 89.2 | Confident | 86.8 | Confident | 62 Ų | 62 | 54.1 Ų | 54.1 | 43% | 0.434 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.7 | -39.7 | -179.7 | 77 | 0 | 0 | 0 | 0 | 112.7 | Q249 D250 C251 V256 S257 | Q249-S253 PolarHBondContact O-N 3.19Å; D250-S253 PolarHBondContact O-N 3.21Å; D250-S253 VanDerWaalsContact O-N 3.13Å; D250-S253 PolarHBondContact O-OG 3.1Å; C251-S253 VanDerWaalsContact C-N 3.33Å; C251-S253 PolarHBondContact O-N 2.9Å; S253-V256 PolarHBondContact O-N 3.11Å; S253-S257 PolarHBondContact O-N 2.8Å; S253-S257 VanDerWaalsContact O-N 3.16Å; S253-S257 PolarHBondContact O-OG 2.9Å |
| 254 | R | 86.8 | Confident | 87.3 | Confident | 85 Ų | 85 | 58.6 Ų | 58.6 | 32% | 0.321 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -69 | -41.1 | 175.4 | -67.4 | -179 | -168.2 | -158.4 | 5.4 | 111.6 | F198 D250 C251 M252 V256 S257 R258 | F198-R254 HydrophobicContact CE1-CB 4.39Å; D250-R254 WeakPolarHBondContact O-CG 3.3Å; D250-R254 PolarHBondContact O-N 2.9Å; D250-R254 IonicContact OD1-CZ 3.81Å; D250-R254 IonicContact OD1-NE 3.99Å; D250-R254 PolarHBondContact OD1-NE 2.74Å; D250-R254 IonicContact OD1-NH2 3.39Å; D250-R254 IonicContact OD2-CZ 2.72Å; D250-R254 IonicContact OD2-NE 3.46Å; D250-R254 PolarHBondContact OD2-NE 3.31Å; D250-R254 IonicContact OD2-NH2 3.42Å; D250-R254 PolarHBondContact OD2-NH2 3.15Å; C251-R254 PolarHBondContact O-N 3.39Å; M252-R254 VanDerWaalsContact C-N 3.34Å; M252-R254 PolarHBondContact O-N 3.48Å; R254-V256 VanDerWaalsContact C-N 3.34Å; R254-V256 PolarHBondContact O-N 3.14Å; R254-S257 PolarHBondContact O-N 3.28Å; R254-R258 PolarHBondContact O-N 2.99Å |
| 255 | A | 88.7 | Confident | 87.4 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57.9 | -48 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | T196 F198 I224 M226 C251 M252 S257 R258 H259 | T196-A255 HydrophobicContact CG2-CB 4.38Å; T196-A255 WeakPolarHBondContact OG1-CB 2.82Å; F198-A255 HydrophobicContact CE2-CB 4.28Å; F198-A255 HydrophobicContact CZ-CB 4.03Å; I224-A255 HydrophobicContact CG2-CB 4.37Å; M226-A255 HydrophobicContact CE-CB 3.4Å; M226-A255 WeakPolarHBondContact CE-O 3.26Å; M226-A255 HydrophobicContact SD-CB 3.4Å; M226-A255 WeakPolarHBondContact SD-CB 3.33Å; C251-A255 WeakPolarHBondContact O-CB 3.33Å; C251-A255 PolarHBondContact O-N 3.21Å; M252-A255 WeakPolarHBondContact O-CB 3.21Å; M252-A255 PolarHBondContact O-N 2.58Å; A255-S257 VanDerWaalsContact C-N 3.33Å; A255-S257 PolarHBondContact O-N 3.4Å; A255-R258 PolarHBondContact O-N 2.84Å; A255-H259 WeakPolarHBondContact O-CB 3.47Å; A255-H259 PolarHBondContact O-N 3.19Å |
| 256 | V | 90.1 | Very high | 87.4 | Confident | 45 Ų | 45 | 54.8 Ų | 54.8 | 27% | 0.273 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60 | -42.5 | 177.8 | 171.3 | 0 | 0 | 0 | 0 | 111.8 | M226 M252 S253 R254 H259 K260 | M226-V256 HydrophobicContact CE-CG2 4.36Å; M226-V256 VanDerWaalsContact CE-N 3.29Å; M226-V256 HydrophobicContact SD-CB 4.38Å; M226-V256 HydrophobicContact SD-CG2 3.55Å; M226-V256 VanDerWaalsContact SD-CG2 3.55Å; M226-V256 PolarHBondContact SD-N 3.12Å; M252-V256 WeakPolarHBondContact O-CG2 3.26Å; M252-V256 PolarHBondContact O-N 3.24Å; S253-V256 PolarHBondContact O-N 3.11Å; R254-V256 VanDerWaalsContact C-N 3.34Å; R254-V256 PolarHBondContact O-N 3.14Å; V256-H259 PolarHBondContact O-N 3.02Å; V256-K260 WeakPolarHBondContact O-CG 3.31Å; V256-K260 PolarHBondContact O-N 3.43Å |
| 257 | S | 88.6 | Confident | 87.4 | Confident | 70 Ų | 70 | 54.4 Ų | 54.4 | 49% | 0.49 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.3 | -46.1 | 176.3 | -64.5 | 0 | 0 | 0 | 0 | 111.2 | S253 R254 A255 H259 K260 E261 | S253-S257 PolarHBondContact O-N 2.8Å; S253-S257 VanDerWaalsContact O-N 3.16Å; S253-S257 PolarHBondContact O-OG 2.9Å; R254-S257 PolarHBondContact O-N 3.28Å; A255-S257 VanDerWaalsContact C-N 3.33Å; A255-S257 PolarHBondContact O-N 3.4Å; S257-H259 PolarHBondContact O-N 3Å; S257-K260 PolarHBondContact O-N 3.06Å; S257-E261 PolarHBondContact O-N 3.27Å |
| 258 | R | 86.4 | Confident | 87.5 | Confident | 19 Ų | 19 | 57.4 Ų | 57.4 | 7% | 0.072 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 177.6 | 179.1 | 57.2 | 172.8 | 164.1 | 6.3 | 112.5 | F32 T35 T196 R254 A255 K260 E261 V262 | F32-R258 HydrophobicContact CD1-CG 4.18Å; F32-R258 VanDerWaalsContact CD2-CD 3.49Å; F32-R258 HydrophobicContact CD2-CG 4.17Å; F32-R258 HydrophobicContact CE1-CB 4.32Å; F32-R258 HydrophobicContact CE1-CG 3.6Å; F32-R258 HydrophobicContact CE2-CB 3.62Å; F32-R258 VanDerWaalsContact CE2-CD 3.44Å; F32-R258 HydrophobicContact CE2-CG 3.6Å; F32-R258 HydrophobicContact CG-CG 4.42Å; F32-R258 HydrophobicContact CZ-CB 3.48Å; F32-R258 VanDerWaalsContact CZ-CB 3.48Å; F32-R258 HydrophobicContact CZ-CG 3.26Å; T35-R258 PolarHBondContact OG1-NH2 3.46Å; T196-R258 HydrophobicContact CG2-CB 3.99Å; T196-R258 HydrophobicContact CG2-CG 3.83Å; R254-R258 PolarHBondContact O-N 2.99Å; A255-R258 PolarHBondContact O-N 2.84Å; R258-K260 PolarHBondContact O-N 3.49Å; R258-E261 WeakPolarHBondContact CD-OE2 3.43Å; R258-E261 IonicContact CZ-OE2 3.95Å; R258-E261 IonicContact NH1-OE2 3.49Å; R258-E261 PolarHBondContact NH1-OE2 3.4Å; R258-E261 WeakPolarHBondContact O-CB 3.25Å; R258-E261 PolarHBondContact O-N 3.03Å; R258-V262 HydrophobicContact CG-CG2 3.99Å; R258-V262 WeakPolarHBondContact O-CG2 3.47Å; R258-V262 PolarHBondContact O-N 2.76Å |
| 259 | H | 87.8 | Confident | 87.4 | Confident | 8 Ų | 8 | 57 Ų | 57 | 4% | 0.037 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -53.3 | -43.3 | 179.1 | 177.7 | 106.5 | 0 | 0 | 0 | 110.9 | N192 V194 M226 E228 A255 V256 S257 E261 V262 N263 | N192-H259 PolarHBondContact O-CE1 2.83Å; V194-H259 HydrophobicContact CB-CB 4.41Å; V194-H259 WeakPolarHBondContact CB-ND1 3.48Å; V194-H259 WeakPolarHBondContact CG2-ND1 3.2Å; M226-H259 HydrophobicContact CE-CB 3.72Å; M226-H259 PolarHBondContact O-CE1 2.9Å; M226-H259 VanDerWaalsContact O-CE1 3.24Å; M226-H259 PolarHBondContact O-ND1 3.25Å; E228-H259 VanDerWaalsContact CA-NE2 3.31Å; E228-H259 WeakPolarHBondContact CA-NE2 3.26Å; E228-H259 PolarHBondContact N-CE1 2.85Å; E228-H259 PolarHBondContact N-NE2 3.01Å; A255-H259 WeakPolarHBondContact O-CB 3.47Å; A255-H259 PolarHBondContact O-N 3.19Å; V256-H259 PolarHBondContact O-N 3.02Å; S257-H259 PolarHBondContact O-N 3Å; H259-E261 PolarHBondContact O-N 3.15Å; H259-V262 PolarHBondContact O-N 3.44Å; H259-N263 WeakPolarHBondContact O-CB 3.2Å; H259-N263 PolarHBondContact O-N 3.34Å |
| 260 | K | 87.8 | Confident | 87.1 | Confident | 131 Ų | 131 | 53 Ų | 53 | 57% | 0.57 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -63.2 | -38.3 | 176.8 | -68.3 | 174.5 | -177.8 | 176.9 | 0 | 113.1 | V256 S257 R258 K264 | V256-K260 WeakPolarHBondContact O-CG 3.31Å; V256-K260 PolarHBondContact O-N 3.43Å; S257-K260 PolarHBondContact O-N 3.06Å; R258-K260 PolarHBondContact O-N 3.49Å; K260-K264 VanDerWaalsContact O-CG 3.26Å; K260-K264 WeakPolarHBondContact O-CG 3.35Å; K260-K264 PolarHBondContact O-N 3.29Å |
| 261 | E | 87 | Confident | 86.8 | Confident | 97 Ų | 97 | 56.1 Ų | 56.1 | 45% | 0.453 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.5 | -47.4 | 175.8 | -64.7 | 172.9 | 179.2 | 0 | 0 | 111.4 | S257 R258 H259 N263 K264 L265 | S257-E261 PolarHBondContact O-N 3.27Å; R258-E261 WeakPolarHBondContact CD-OE2 3.43Å; R258-E261 IonicContact CZ-OE2 3.95Å; R258-E261 IonicContact NH1-OE2 3.49Å; R258-E261 PolarHBondContact NH1-OE2 3.4Å; R258-E261 WeakPolarHBondContact O-CB 3.25Å; R258-E261 PolarHBondContact O-N 3.03Å; H259-E261 PolarHBondContact O-N 3.15Å; E261-N263 VanDerWaalsContact C-N 3.33Å; E261-N263 PolarHBondContact O-N 3.27Å; E261-K264 PolarHBondContact O-N 3.12Å; E261-L265 WeakPolarHBondContact O-CG 3.37Å; E261-L265 PolarHBondContact O-N 2.95Å |
| 262 | V | 86.7 | Confident | 86.5 | Confident | 7 Ų | 7 | 59.4 Ų | 59.4 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63 | -41.4 | -179.2 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | F154 V194 R258 H259 L265 L266 | F154-V262 HydrophobicContact CD2-CG1 3.47Å; F154-V262 VanDerWaalsContact CD2-CG1 3.47Å; F154-V262 HydrophobicContact CE1-CG1 4.31Å; F154-V262 HydrophobicContact CE2-CG1 3.17Å; F154-V262 HydrophobicContact CG-CG1 4.21Å; F154-V262 HydrophobicContact CZ-CG1 3.65Å; V194-V262 HydrophobicContact CG1-CB 4.15Å; V194-V262 HydrophobicContact CG1-CG1 3.95Å; V194-V262 HydrophobicContact CG1-CG2 4.24Å; V194-V262 HydrophobicContact CG2-CB 4.32Å; V194-V262 HydrophobicContact CG2-CG1 3.9Å; R258-V262 HydrophobicContact CG-CG2 3.99Å; R258-V262 WeakPolarHBondContact O-CG2 3.47Å; R258-V262 PolarHBondContact O-N 2.76Å; H259-V262 PolarHBondContact O-N 3.44Å; V262-L265 PolarHBondContact O-N 3.08Å; V262-L266 WeakPolarHBondContact O-CB 3.46Å; V262-L266 PolarHBondContact O-N 2.88Å |
| 263 | N | 87.3 | Confident | 85.4 | Confident | 23 Ų | 23 | 60.2 Ų | 60.2 | 12% | 0.123 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.8 | -39.6 | 178.8 | -155.2 | 26.8 | 0 | 0 | 0 | 111.8 | N192 E228 H259 E261 L265 L266 D267 | N192-N263 PolarHBondContact ND2-OD1 3.42Å; E228-N263 PolarHBondContact OE1-ND2 2.87Å; H259-N263 WeakPolarHBondContact O-CB 3.2Å; H259-N263 PolarHBondContact O-N 3.34Å; E261-N263 VanDerWaalsContact C-N 3.33Å; E261-N263 PolarHBondContact O-N 3.27Å; N263-L265 PolarHBondContact O-N 3.37Å; N263-L266 WeakPolarHBondContact O-CB 3.34Å; N263-L266 PolarHBondContact O-N 2.96Å; N263-D267 PolarHBondContact O-N 3.34Å |
| 264 | K | 88.6 | Confident | 84.1 | Confident | 138 Ų | 138 | 65.4 Ų | 65.4 | 60% | 0.6 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -59.5 | -46.1 | 172.3 | -74.4 | 172.5 | -177.9 | -178.1 | 0 | 112 | K260 E261 L266 D267 E268 | K260-K264 VanDerWaalsContact O-CG 3.26Å; K260-K264 WeakPolarHBondContact O-CG 3.35Å; K260-K264 PolarHBondContact O-N 3.29Å; E261-K264 PolarHBondContact O-N 3.12Å; K264-L266 VanDerWaalsContact C-N 3.3Å; K264-L266 PolarHBondContact O-N 3.2Å; K264-D267 PolarHBondContact O-N 2.84Å; K264-E268 WeakPolarHBondContact O-CB 2.98Å; K264-E268 WeakPolarHBondContact O-CG 3.39Å; K264-E268 PolarHBondContact O-N 3.03Å |
| 265 | L | 87 | Confident | 82.2 | Confident | 57 Ų | 57 | 69.6 Ų | 69.6 | 30% | 0.298 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.6 | -42.1 | 176.9 | -70.3 | 172.6 | 0 | 0 | 0 | 111.4 | T35 E261 V262 N263 E268 V269 | T35-L265 WeakPolarHBondContact OG1-CD1 3.15Å; E261-L265 WeakPolarHBondContact O-CG 3.37Å; E261-L265 PolarHBondContact O-N 2.95Å; V262-L265 PolarHBondContact O-N 3.08Å; N263-L265 PolarHBondContact O-N 3.37Å; L265-E268 PolarHBondContact O-N 3.4Å; L265-V269 WeakPolarHBondContact O-CG2 3.34Å; L265-V269 PolarHBondContact O-N 2.97Å |
| 266 | L | 85.2 | Confident | 80 | Confident | 2 Ų | 2 | 81.1 Ų | 81.1 | 1% | 0.01 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.2 | -47 | 176.8 | -168.5 | 89.2 | 0 | 0 | 0 | 111.2 | F154 A158 K161 V262 N263 K264 V269 I270 | F154-L266 HydrophobicContact CD2-CD1 4.4Å; F154-L266 HydrophobicContact CE2-CB 4.28Å; F154-L266 HydrophobicContact CE2-CD1 3.7Å; F154-L266 HydrophobicContact CZ-CD1 4.39Å; A158-L266 HydrophobicContact CB-CD1 3.98Å; K161-L266 HydrophobicContact CD-CD2 3.7Å; K161-L266 HydrophobicContact CD-CG 4.46Å; K161-L266 VanDerWaalsContact CE-CD2 3.5Å; V262-L266 WeakPolarHBondContact O-CB 3.46Å; V262-L266 PolarHBondContact O-N 2.88Å; N263-L266 WeakPolarHBondContact O-CB 3.34Å; N263-L266 PolarHBondContact O-N 2.96Å; K264-L266 VanDerWaalsContact C-N 3.3Å; K264-L266 PolarHBondContact O-N 3.2Å; L266-V269 PolarHBondContact O-N 3.4Å; L266-I270 HydrophobicContact CD2-CD1 4.25Å; L266-I270 HydrophobicContact CG-CD1 4Å; L266-I270 WeakPolarHBondContact O-CD1 3.21Å; L266-I270 VanDerWaalsContact O-CG1 3.23Å; L266-I270 WeakPolarHBondContact O-CG1 3.49Å; L266-I270 PolarHBondContact O-N 3.32Å |
| 267 | D | 86.1 | Confident | 79.5 | Confident | 68 Ų | 68 | 82.9 Ų | 82.9 | 36% | 0.364 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64 | -41.7 | 179 | -73.4 | -29.3 | 0 | 0 | 0 | 112.3 | N263 K264 V269 I270 Q271 | N263-D267 PolarHBondContact O-N 3.34Å; K264-D267 PolarHBondContact O-N 2.84Å; D267-V269 VanDerWaalsContact C-N 3.35Å; D267-V269 PolarHBondContact O-N 3.45Å; D267-I270 PolarHBondContact O-N 3.41Å; D267-Q271 WeakPolarHBondContact O-CB 3.46Å; D267-Q271 WeakPolarHBondContact O-CG 3.26Å; D267-Q271 PolarHBondContact O-N 3.36Å |
| 268 | E | 87 | Confident | 79 | Confident | 120 Ų | 120 | 83.6 Ų | 83.6 | 56% | 0.561 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -59.8 | -44.7 | 174.6 | -76 | 176.7 | -178.3 | 0 | 0 | 111.5 | K264 L265 Q271 S272 | K264-E268 WeakPolarHBondContact O-CB 2.98Å; K264-E268 WeakPolarHBondContact O-CG 3.39Å; K264-E268 PolarHBondContact O-N 3.03Å; L265-E268 PolarHBondContact O-N 3.4Å; E268-Q271 PolarHBondContact O-N 3.41Å; E268-S272 WeakPolarHBondContact O-CB 3.18Å; E268-S272 PolarHBondContact O-N 2.69Å |
| 269 | V | 84.7 | Confident | 78.6 | Confident | 34 Ų | 34 | 87.2 Ų | 87.2 | 21% | 0.206 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -65.5 | -42.6 | 178.6 | 175.8 | 0 | 0 | 0 | 0 | 110.6 | V37 I39 L265 L266 D267 Q271 S272 M273 | V37-V269 HydrophobicContact CB-CG2 4.45Å; V37-V269 HydrophobicContact CG1-CG1 4.49Å; I39-V269 HydrophobicContact CB-CG1 4.5Å; I39-V269 HydrophobicContact CD1-CB 4.39Å; I39-V269 HydrophobicContact CD1-CG1 3.62Å; I39-V269 HydrophobicContact CG1-CG1 3.73Å; L265-V269 WeakPolarHBondContact O-CG2 3.34Å; L265-V269 PolarHBondContact O-N 2.97Å; L266-V269 PolarHBondContact O-N 3.4Å; D267-V269 VanDerWaalsContact C-N 3.35Å; D267-V269 PolarHBondContact O-N 3.45Å; V269-Q271 PolarHBondContact O-N 3.46Å; V269-S272 PolarHBondContact O-N 3.31Å; V269-S272 PolarHBondContact O-OG 3.09Å; V269-M273 WeakPolarHBondContact O-CB 3.42Å; V269-M273 PolarHBondContact O-N 2.96Å |
| 270 | I | 82 | Confident | 78.1 | Confident | 36 Ų | 36 | 91.8 Ų | 91.8 | 19% | 0.185 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 176.9 | -68.1 | 162.1 | 0 | 0 | 0 | 111.3 | I39 K161 L266 D267 M273 K274 | I39-I270 HydrophobicContact CD1-CG1 4.02Å; K161-I270 HydrophobicContact CB-CD1 4.39Å; K161-I270 HydrophobicContact CD-CD1 3.46Å; K161-I270 VanDerWaalsContact CD-CD1 3.46Å; L266-I270 HydrophobicContact CD2-CD1 4.25Å; L266-I270 HydrophobicContact CG-CD1 4Å; L266-I270 WeakPolarHBondContact O-CD1 3.21Å; L266-I270 VanDerWaalsContact O-CG1 3.23Å; L266-I270 WeakPolarHBondContact O-CG1 3.49Å; L266-I270 PolarHBondContact O-N 3.32Å; D267-I270 PolarHBondContact O-N 3.41Å; I270-M273 PolarHBondContact O-N 3.3Å; I270-K274 PolarHBondContact O-N 3.39Å |
| 271 | Q | 80.9 | Confident | 77.5 | Confident | 125 Ų | 125 | 89.4 Ų | 89.4 | 58% | 0.584 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -63.7 | -43.7 | 176.7 | -73.9 | -179.5 | 11.9 | 0 | 0 | 111.6 | D267 E268 V269 M273 K274 H275 | D267-Q271 WeakPolarHBondContact O-CB 3.46Å; D267-Q271 WeakPolarHBondContact O-CG 3.26Å; D267-Q271 PolarHBondContact O-N 3.36Å; E268-Q271 PolarHBondContact O-N 3.41Å; V269-Q271 PolarHBondContact O-N 3.46Å; Q271-M273 PolarHBondContact O-N 3.21Å; Q271-K274 PolarHBondContact O-N 3.36Å; Q271-H275 PolarHBondContact O-CD2 3.21Å; Q271-H275 VanDerWaalsContact O-CD2 3.31Å; Q271-H275 PolarHBondContact O-N 3.02Å |
| 272 | S | 79.1 | Confident | 76.8 | Confident | 70 Ų | 70 | 88.9 Ų | 88.9 | 49% | 0.49 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.2 | -30.7 | 176.8 | 80.7 | 0 | 0 | 0 | 0 | 112.6 | E268 V269 | E268-S272 WeakPolarHBondContact O-CB 3.18Å; E268-S272 PolarHBondContact O-N 2.69Å; V269-S272 PolarHBondContact O-N 3.31Å; V269-S272 PolarHBondContact O-OG 3.09Å |
| 273 | M | 67.1 | Low | 76.1 | Confident | 68 Ų | 68 | 94.7 Ų | 94.7 | 34% | 0.335 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -80.2 | -38.1 | -179.5 | -155.2 | -178.3 | -170.6 | 0 | 0 | 112.5 | I39 V269 I270 Q271 H275 K276 | I39-M273 HydrophobicContact CB-CE 4.2Å; I39-M273 HydrophobicContact CB-SD 3.73Å; I39-M273 HydrophobicContact CG2-CE 4Å; I39-M273 HydrophobicContact CG2-SD 3.6Å; I39-M273 VanDerWaalsContact O-CE 3.23Å; I39-M273 WeakPolarHBondContact O-CE 3.46Å; V269-M273 WeakPolarHBondContact O-CB 3.42Å; V269-M273 PolarHBondContact O-N 2.96Å; I270-M273 PolarHBondContact O-N 3.3Å; Q271-M273 PolarHBondContact O-N 3.21Å; M273-H275 PolarHBondContact O-N 3.13Å; M273-K276 PolarHBondContact O-N 2.8Å |
| 274 | K | 60.5 | Low | 75.3 | Confident | 170 Ų | 170 | 100.2 Ų | 100.2 | 74% | 0.739 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.3 | -23.3 | 174.8 | -75.1 | -176.2 | -179.9 | 179.2 | 0 | 113.6 | I270 Q271 | I270-K274 PolarHBondContact O-N 3.39Å; Q271-K274 PolarHBondContact O-N 3.36Å |
| 275 | H | 47.6 | Very low | 74.2 | Confident | 173 Ų | 173 | 97.1 Ų | 97.1 | 80% | 0.801 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -7.9 | 178.6 | -81.8 | -63.5 | 0 | 0 | 0 | 114.2 | Q271 M273 | Q271-H275 PolarHBondContact O-CD2 3.21Å; Q271-H275 VanDerWaalsContact O-CD2 3.31Å; Q271-H275 PolarHBondContact O-N 3.02Å; M273-H275 PolarHBondContact O-N 3.13Å |
| 276 | K | 42.8 | Very low | 73 | Confident | 242 Ų | 242 | 100.7 Ų | 100.7 | 100% | 1.052 | 48% | 0.484 | S | S | * | . | trans | -94.9 | 0 | 172.2 | -84 | -179 | 175.3 | 175 | 0 | 110.9 | M273 | M273-K276 PolarHBondContact O-N 2.8Š|
Retrieved 276 of 276 residues in 77.6 ms
(Link to these results)