| 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 | 38.6 | Very low | 66.1 | Low | 236 Ų | 236 | 105.5 Ų | 105.5 | 100% | 1.163 | 59% | 0.592 | S | S | * | * | 0 | 90.5 | 0 | -125 | 156.9 | 79.5 | 0 | 0 | 107 | S3 | M1-S3 PolarHBondContact O-N 3.38Š| |||
| 2 | E | 40 | Very low | 68 | Low | 196 Ų | 196 | 104.3 Ų | 104.3 | 92% | 0.916 | 58% | 0.58 | S | S | * | * | trans | -74.3 | 93 | 180 | -75 | 177.3 | 132.4 | 0 | 0 | 109.1 | S4 | E2-S4 VanDerWaalsContact C-N 3.31Å; E2-S4 PolarHBondContact O-N 2.99Å; E2-S4 VanDerWaalsContact O-N 3.15Å | ||
| 3 | S | 48.7 | Very low | 69.9 | Low | 119 Ų | 119 | 102.5 Ų | 102.5 | 83% | 0.832 | 57% | 0.573 | S | S | * | * | trans | -87.2 | 62.6 | -176.4 | 70.8 | 0 | 0 | 0 | 0 | 111.7 | M1 | M1-S3 PolarHBondContact O-N 3.38Š| ||
| 4 | S | 57.2 | Low | 71.5 | Confident | 71 Ų | 71 | 99.9 Ų | 99.9 | 50% | 0.497 | 56% | 0.561 | S | S | . | * | trans | -132.5 | 118 | 162.9 | 79.5 | 0 | 0 | 0 | 0 | 107.9 | E2 K6 | E2-S4 VanDerWaalsContact C-N 3.31Å; E2-S4 PolarHBondContact O-N 2.99Å; E2-S4 VanDerWaalsContact O-N 3.15Å; S4-K6 PolarHBondContact O-N 3.42Å | ||
| 5 | G | 60.4 | Low | 72.9 | Confident | 23 Ų | 23 | 95 Ų | 95 | 24% | 0.237 | 53% | 0.533 | C | S | . | . | trans | -71 | 28 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 6 | K | 68.3 | Low | 74.2 | Confident | 158 Ų | 158 | 92.9 Ų | 92.9 | 69% | 0.687 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -76.3 | 139 | 164.9 | -65.3 | -179.4 | 179.7 | 178.4 | 0 | 107 | S4 S8 | S4-K6 PolarHBondContact O-N 3.42Å; K6-S8 PolarHBondContact O-N 2.79Å |
| 7 | P | 69.9 | Low | 75.4 | Confident | 56 Ų | 56 | 91.6 Ų | 91.6 | 36% | 0.364 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 136.3 | 170.5 | 24.9 | -32.8 | 0 | 0 | 0 | 108.4 | M12 V258 | P7-M12 HydrophobicContact CB-CG 3.93Å; P7-M12 HydrophobicContact CB-SD 3.86Å; P7-M12 HydrophobicContact CG-CG 3.94Å; P7-M12 HydrophobicContact CG-SD 3.75Å; P7-V258 HydrophobicContact CB-CG1 4.06Å |
| 8 | S | 83.9 | Confident | 76.4 | Confident | 47 Ų | 47 | 87.1 Ų | 87.1 | 33% | 0.329 | 50% | 0.5 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 143.3 | 178.2 | 174.7 | 0 | 0 | 0 | 0 | 108.6 | K6 V10 E11 M12 | K6-S8 PolarHBondContact O-N 2.79Å; S8-V10 PolarHBondContact O-N 2.94Å; S8-V10 VanDerWaalsContact O-N 3.11Å; S8-V10 PolarHBondContact OG-N 3.03Å; S8-E11 PolarHBondContact N-OE2 2.9Å; S8-E11 WeakPolarHBondContact O-CB 3.3Å; S8-E11 PolarHBondContact O-N 2.81Å; S8-M12 PolarHBondContact O-N 2.91Å; S8-M12 VanDerWaalsContact O-N 3.08Å |
| 9 | V | 85.9 | Confident | 77.4 | Confident | 117 Ų | 117 | 85.2 Ų | 85.2 | 71% | 0.709 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -52.7 | -36.3 | 176.4 | 178.1 | 0 | 0 | 0 | 0 | 110.3 | M12 V13 | V9-M12 PolarHBondContact O-N 3.27Å; V9-V13 HydrophobicContact CG1-CG2 4.41Å; V9-V13 VanDerWaalsContact O-CG2 3.25Å; V9-V13 WeakPolarHBondContact O-CG2 3.39Å; V9-V13 PolarHBondContact O-N 2.63Å |
| 10 | V | 86.9 | Confident | 78.3 | Confident | 99 Ų | 99 | 83.8 Ų | 83.8 | 60% | 0.6 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.7 | -44.8 | 175.9 | -177.3 | 0 | 0 | 0 | 0 | 111.9 | S8 M12 V13 V14 | S8-V10 PolarHBondContact O-N 2.94Å; S8-V10 VanDerWaalsContact O-N 3.11Å; S8-V10 PolarHBondContact OG-N 3.03Å; V10-M12 VanDerWaalsContact C-N 3.32Å; V10-M12 PolarHBondContact O-N 2.95Å; V10-V13 PolarHBondContact O-N 2.55Å; V10-V14 HydrophobicContact CG1-CG2 4.4Å; V10-V14 VanDerWaalsContact O-CG2 3.29Å; V10-V14 WeakPolarHBondContact O-CG2 3.48Å; V10-V14 PolarHBondContact O-N 2.97Å |
| 11 | E | 87.6 | Confident | 79.1 | Confident | 38 Ų | 38 | 83 Ų | 83 | 18% | 0.178 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -61.6 | -41.5 | 178.7 | -67.5 | 165.4 | 172.1 | 0 | 0 | 110.9 | S8 L15 V258 K261 | S8-E11 PolarHBondContact N-OE2 2.9Å; S8-E11 WeakPolarHBondContact O-CB 3.3Å; S8-E11 PolarHBondContact O-N 2.81Å; E11-L15 WeakPolarHBondContact O-CB 3.42Å; E11-L15 PolarHBondContact O-N 3.34Å; E11-V258 HydrophobicContact CB-CG2 4.09Å; E11-K261 VanDerWaalsContact CD-NZ 3.32Å; E11-K261 IonicContact OE1-NZ 2.71Å; E11-K261 PolarHBondContact OE1-NZ 3.12Å; E11-K261 IonicContact OE2-NZ 2.74Å; E11-K261 PolarHBondContact OE2-NZ 2.9Å |
| 12 | M | 88.6 | Confident | 81.9 | Confident | 92 Ų | 92 | 73.1 Ų | 73.1 | 45% | 0.453 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -67.1 | -41.1 | 177.3 | -68.8 | -59.2 | -62.8 | 0 | 0 | 112.5 | P7 S8 V9 V10 L15 A16 | P7-M12 HydrophobicContact CB-CG 3.93Å; P7-M12 HydrophobicContact CB-SD 3.86Å; P7-M12 HydrophobicContact CG-CG 3.94Å; P7-M12 HydrophobicContact CG-SD 3.75Å; S8-M12 PolarHBondContact O-N 2.91Å; S8-M12 VanDerWaalsContact O-N 3.08Å; V9-M12 PolarHBondContact O-N 3.27Å; V10-M12 VanDerWaalsContact C-N 3.32Å; V10-M12 PolarHBondContact O-N 2.95Å; M12-L15 PolarHBondContact O-N 3.46Å; M12-A16 VanDerWaalsContact O-CB 3.29Å; M12-A16 WeakPolarHBondContact O-CB 3.34Å; M12-A16 PolarHBondContact O-N 2.91Å |
| 13 | V | 92.5 | Very high | 84.5 | Confident | 81 Ų | 81 | 66.8 Ų | 66.8 | 49% | 0.491 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.9 | -42.9 | 177.1 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | V9 V10 A16 T17 | V9-V13 HydrophobicContact CG1-CG2 4.41Å; V9-V13 VanDerWaalsContact O-CG2 3.25Å; V9-V13 WeakPolarHBondContact O-CG2 3.39Å; V9-V13 PolarHBondContact O-N 2.63Å; V10-V13 PolarHBondContact O-N 2.55Å; V13-A16 PolarHBondContact O-N 3.19Å; V13-T17 HydrophobicContact CG1-CG2 4.29Å; V13-T17 WeakPolarHBondContact O-CB 3.39Å; V13-T17 VanDerWaalsContact O-CG2 3.27Å; V13-T17 WeakPolarHBondContact O-CG2 3.49Å; V13-T17 PolarHBondContact O-N 3.14Å; V13-T17 PolarHBondContact O-OG1 2.85Å |
| 14 | V | 91.9 | Very high | 86.8 | Confident | 65 Ų | 65 | 64.8 Ų | 64.8 | 39% | 0.394 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.5 | -43.2 | 177.6 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | V10 T17 S18 T254 | V10-V14 HydrophobicContact CG1-CG2 4.4Å; V10-V14 VanDerWaalsContact O-CG2 3.29Å; V10-V14 WeakPolarHBondContact O-CG2 3.48Å; V10-V14 PolarHBondContact O-N 2.97Å; V14-T17 WeakPolarHBondContact CA-OG1 3.33Å; V14-T17 PolarHBondContact O-OG1 2.81Å; V14-T17 VanDerWaalsContact O-OG1 3.09Å; V14-S18 VanDerWaalsContact O-CB 3.29Å; V14-S18 WeakPolarHBondContact O-CB 3.26Å; V14-S18 PolarHBondContact O-N 2.81Å; V14-S18 PolarHBondContact O-OG 3.35Å; V14-T254 HydrophobicContact CG1-CG2 4.12Å |
| 15 | L | 92.9 | Very high | 88.6 | Confident | 27 Ų | 27 | 62.9 Ų | 62.9 | 14% | 0.141 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64 | -44.5 | 176.8 | 179.4 | 62 | 0 | 0 | 0 | 111.7 | E11 M12 S18 S19 A251 L255 | E11-L15 WeakPolarHBondContact O-CB 3.42Å; E11-L15 PolarHBondContact O-N 3.34Å; M12-L15 PolarHBondContact O-N 3.46Å; L15-S18 PolarHBondContact O-OG 2.85Å; L15-S18 VanDerWaalsContact O-OG 3.12Å; L15-S19 VanDerWaalsContact O-CB 3.22Å; L15-S19 WeakPolarHBondContact O-CB 3.49Å; L15-S19 PolarHBondContact O-N 3.27Å; L15-S19 PolarHBondContact O-OG 3.18Å; L15-A251 WeakPolarHBondContact CD1-O 3.43Å; L15-L255 HydrophobicContact CD1-CB 3.96Å; L15-L255 HydrophobicContact CD2-CD1 3.97Å |
| 16 | A | 93.8 | Very high | 90.3 | Very high | 62 Ų | 62 | 67.6 Ų | 67.6 | 51% | 0.512 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64 | -46.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | M12 V13 A20 | M12-A16 VanDerWaalsContact O-CB 3.29Å; M12-A16 WeakPolarHBondContact O-CB 3.34Å; M12-A16 PolarHBondContact O-N 2.91Å; V13-A16 PolarHBondContact O-N 3.19Å; A16-A20 WeakPolarHBondContact O-CB 3.43Å; A16-A20 PolarHBondContact O-N 2.85Å |
| 17 | T | 94.3 | Very high | 91.5 | Very high | 71 Ų | 71 | 63.7 Ų | 63.7 | 44% | 0.436 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.6 | -45.9 | -179.8 | 51.3 | 0 | 0 | 0 | 0 | 112.3 | V13 V14 S19 A20 L21 | V13-T17 HydrophobicContact CG1-CG2 4.29Å; V13-T17 WeakPolarHBondContact O-CB 3.39Å; V13-T17 VanDerWaalsContact O-CG2 3.27Å; V13-T17 WeakPolarHBondContact O-CG2 3.49Å; V13-T17 PolarHBondContact O-N 3.14Å; V13-T17 PolarHBondContact O-OG1 2.85Å; V14-T17 WeakPolarHBondContact CA-OG1 3.33Å; V14-T17 PolarHBondContact O-OG1 2.81Å; V14-T17 VanDerWaalsContact O-OG1 3.09Å; T17-S19 VanDerWaalsContact C-N 3.33Å; T17-S19 PolarHBondContact O-N 2.81Å; T17-A20 PolarHBondContact O-N 2.93Å; T17-L21 WeakPolarHBondContact O-CB 3.49Å; T17-L21 VanDerWaalsContact O-CG 3.32Å; T17-L21 WeakPolarHBondContact O-CG 3.42Å; T17-L21 PolarHBondContact O-N 3.49Å |
| 18 | S | 94.2 | Very high | 92.6 | Very high | 9 Ų | 9 | 63.5 Ų | 63.5 | 6% | 0.063 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.2 | -38.3 | 176.9 | 57.1 | 0 | 0 | 0 | 0 | 112.5 | V14 L15 T22 | V14-S18 VanDerWaalsContact O-CB 3.29Å; V14-S18 WeakPolarHBondContact O-CB 3.26Å; V14-S18 PolarHBondContact O-N 2.81Å; V14-S18 PolarHBondContact O-OG 3.35Å; L15-S18 PolarHBondContact O-OG 2.85Å; L15-S18 VanDerWaalsContact O-OG 3.12Å; S18-T22 WeakPolarHBondContact O-CB 3.3Å; S18-T22 PolarHBondContact O-N 2.79Å; S18-T22 PolarHBondContact O-OG1 3.01Å |
| 19 | S | 94.5 | Very high | 93.1 | Very high | 52 Ų | 52 | 63.7 Ų | 63.7 | 36% | 0.364 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.5 | -44.1 | 175 | -59.3 | 0 | 0 | 0 | 0 | 111.9 | L15 T17 T22 A23 | L15-S19 VanDerWaalsContact O-CB 3.22Å; L15-S19 WeakPolarHBondContact O-CB 3.49Å; L15-S19 PolarHBondContact O-N 3.27Å; L15-S19 PolarHBondContact O-OG 3.18Å; T17-S19 VanDerWaalsContact C-N 3.33Å; T17-S19 PolarHBondContact O-N 2.81Å; S19-T22 WeakPolarHBondContact O-CB 3.09Å; S19-T22 PolarHBondContact O-N 3.32Å; S19-A23 PolarHBondContact O-N 2.77Å |
| 20 | A | 96 | Very high | 93.5 | Very high | 56 Ų | 56 | 66.4 Ų | 66.4 | 46% | 0.463 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63 | -45.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A16 T17 T22 A23 V24 | A16-A20 WeakPolarHBondContact O-CB 3.43Å; A16-A20 PolarHBondContact O-N 2.85Å; T17-A20 PolarHBondContact O-N 2.93Å; A20-T22 VanDerWaalsContact C-N 3.33Å; A20-T22 PolarHBondContact O-N 3.33Å; A20-A23 PolarHBondContact O-N 2.71Å; A20-V24 WeakPolarHBondContact O-CG2 3.47Å; A20-V24 PolarHBondContact O-N 2.87Å |
| 21 | L | 95.5 | Very high | 93.6 | Very high | 69 Ų | 69 | 65.1 Ų | 65.1 | 36% | 0.361 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.7 | -41.7 | 175.7 | -72.3 | 173.1 | 0 | 0 | 0 | 111.6 | T17 A23 V24 F25 F247 | T17-L21 WeakPolarHBondContact O-CB 3.49Å; T17-L21 VanDerWaalsContact O-CG 3.32Å; T17-L21 WeakPolarHBondContact O-CG 3.42Å; T17-L21 PolarHBondContact O-N 3.49Å; L21-A23 VanDerWaalsContact C-N 3.33Å; L21-A23 PolarHBondContact O-N 2.82Å; L21-V24 PolarHBondContact O-N 2.79Å; L21-F25 HydrophobicContact CB-CD2 4.46Å; L21-F25 HydrophobicContact CB-CE2 4.07Å; L21-F25 HydrophobicContact CB-CZ 4.43Å; L21-F25 HydrophobicContact CD2-CE1 4.47Å; L21-F25 HydrophobicContact CD2-CE2 4.48Å; L21-F25 HydrophobicContact CD2-CZ 4.02Å; L21-F25 WeakPolarHBondContact O-CB 3.3Å; L21-F25 VanDerWaalsContact O-CD2 3.32Å; L21-F25 WeakPolarHBondContact O-CD2 3.31Å; L21-F25 WeakPolarHBondContact O-CG 3.33Å; L21-F25 PolarHBondContact O-N 2.97Å; L21-F247 HydrophobicContact CB-CD1 3.94Å; L21-F247 HydrophobicContact CB-CE1 4.33Å; L21-F247 HydrophobicContact CB-CG 4.41Å; L21-F247 HydrophobicContact CD1-CD1 3.86Å; L21-F247 HydrophobicContact CD1-CE1 3.46Å; L21-F247 VanDerWaalsContact CD1-CE1 3.46Å; L21-F247 HydrophobicContact CD1-CZ 4.26Å |
| 22 | T | 96.1 | Very high | 93.8 | Very high | 27 Ų | 27 | 68.2 Ų | 68.2 | 17% | 0.166 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -58.9 | -45.1 | 174.8 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | S18 S19 A20 F25 Y26 F247 G248 | S18-T22 WeakPolarHBondContact O-CB 3.3Å; S18-T22 PolarHBondContact O-N 2.79Å; S18-T22 PolarHBondContact O-OG1 3.01Å; S19-T22 WeakPolarHBondContact O-CB 3.09Å; S19-T22 PolarHBondContact O-N 3.32Å; A20-T22 VanDerWaalsContact C-N 3.33Å; A20-T22 PolarHBondContact O-N 3.33Å; T22-F25 PolarHBondContact O-N 3.12Å; T22-Y26 WeakPolarHBondContact O-CB 3.41Å; T22-Y26 PolarHBondContact O-N 2.98Å; T22-F247 WeakPolarHBondContact OG1-CB 3.42Å; T22-F247 PolarHBondContact OG1-O 3.36Å; T22-G248 PolarHBondContact OG1-N 2.89Å |
| 23 | A | 95.8 | Very high | 93.9 | Very high | 63 Ų | 63 | 65.9 Ų | 65.9 | 52% | 0.521 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.3 | -43.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S19 A20 L21 S27 | S19-A23 PolarHBondContact O-N 2.77Å; A20-A23 PolarHBondContact O-N 2.71Å; L21-A23 VanDerWaalsContact C-N 3.33Å; L21-A23 PolarHBondContact O-N 2.82Å; A23-S27 WeakPolarHBondContact O-CB 3.48Å; A23-S27 PolarHBondContact O-N 2.8Å |
| 24 | V | 96.2 | Very high | 93.9 | Very high | 78 Ų | 78 | 66 Ų | 66 | 47% | 0.473 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.3 | -49.9 | 176.8 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | A20 L21 Y26 S27 I28 | A20-V24 WeakPolarHBondContact O-CG2 3.47Å; A20-V24 PolarHBondContact O-N 2.87Å; L21-V24 PolarHBondContact O-N 2.79Å; V24-Y26 VanDerWaalsContact C-N 3.34Å; V24-Y26 PolarHBondContact O-N 2.98Å; V24-S27 WeakPolarHBondContact O-CB 3.21Å; V24-S27 PolarHBondContact O-N 3.46Å; V24-I28 HydrophobicContact CG1-CD1 3.95Å; V24-I28 WeakPolarHBondContact O-CG1 3.37Å; V24-I28 PolarHBondContact O-N 3.42Å |
| 25 | F | 95.6 | Very high | 93.8 | Very high | 31 Ų | 31 | 63.9 Ų | 63.9 | 14% | 0.136 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65 | -38 | -179.2 | -62.7 | -18.9 | 0 | 0 | 0 | 112.3 | L21 T22 I28 Y29 W240 L243 F247 | L21-F25 HydrophobicContact CB-CD2 4.46Å; L21-F25 HydrophobicContact CB-CE2 4.07Å; L21-F25 HydrophobicContact CB-CZ 4.43Å; L21-F25 HydrophobicContact CD2-CE1 4.47Å; L21-F25 HydrophobicContact CD2-CE2 4.48Å; L21-F25 HydrophobicContact CD2-CZ 4.02Å; L21-F25 WeakPolarHBondContact O-CB 3.3Å; L21-F25 VanDerWaalsContact O-CD2 3.32Å; L21-F25 WeakPolarHBondContact O-CD2 3.31Å; L21-F25 WeakPolarHBondContact O-CG 3.33Å; L21-F25 PolarHBondContact O-N 2.97Å; T22-F25 PolarHBondContact O-N 3.12Å; F25-I28 PolarHBondContact O-N 3.32Å; F25-Y29 VanDerWaalsContact O-CB 3.23Å; F25-Y29 WeakPolarHBondContact O-CB 3.17Å; F25-Y29 PolarHBondContact O-N 3.21Å; F25-W240 HydrophobicContact CB-CE3 4.31Å; F25-W240 AromaticContact CD1-CE3 3.92Å; F25-W240 HydrophobicContact CD1-CE3 3.92Å; F25-W240 AromaticContact CD1-CZ3 3.4Å; F25-W240 HydrophobicContact CD1-CZ3 3.4Å; F25-W240 VanDerWaalsContact CD1-CZ3 3.4Å; F25-W240 AromaticContact CE1-CZ3 3.75Å; F25-W240 HydrophobicContact CE1-CZ3 3.75Å; F25-W240 HydrophobicContact CG-CE3 4.3Å; F25-W240 HydrophobicContact CG-CZ3 4.21Å; F25-L243 HydrophobicContact CD2-CB 3.94Å; F25-L243 HydrophobicContact CE2-CB 4.37Å; F25-L243 HydrophobicContact CG-CB 4.34Å; F25-F247 AromaticContact CD2-CD2 3.88Å; F25-F247 HydrophobicContact CD2-CD2 3.88Å; F25-F247 HydrophobicContact CD2-CE2 4.37Å; F25-F247 HydrophobicContact CD2-CG 4.25Å; F25-F247 AromaticContact CE2-CD2 3.54Å; F25-F247 HydrophobicContact CE2-CD2 3.54Å; F25-F247 AromaticContact CE2-CE2 3.6Å; F25-F247 HydrophobicContact CE2-CE2 3.6Å; F25-F247 HydrophobicContact CE2-CG 4.02Å; F25-F247 HydrophobicContact CE2-CZ 4.13Å |
| 26 | Y | 94.9 | Very high | 93.8 | Very high | 122 Ų | 122 | 63 Ų | 63 | 48% | 0.478 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66 | -39.2 | 174.8 | -176 | -103.9 | 0 | 0 | 0 | 112.1 | T22 V24 Y29 R30 | T22-Y26 WeakPolarHBondContact O-CB 3.41Å; T22-Y26 PolarHBondContact O-N 2.98Å; V24-Y26 VanDerWaalsContact C-N 3.34Å; V24-Y26 PolarHBondContact O-N 2.98Å; Y26-Y29 HydrophobicContact CD2-CD1 4.15Å; Y26-Y29 HydrophobicContact CE2-CD1 4.22Å; Y26-Y29 HydrophobicContact CE2-CE1 4.48Å; Y26-Y29 PolarHBondContact O-N 3.26Å; Y26-R30 VanDerWaalsContact O-CB 3.32Å; Y26-R30 WeakPolarHBondContact O-CB 3.47Å; Y26-R30 PolarHBondContact O-N 2.72Å |
| 27 | S | 94.3 | Very high | 93.7 | Very high | 75 Ų | 75 | 62.8 Ų | 62.8 | 52% | 0.524 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.6 | -47 | 175.6 | -175.3 | 0 | 0 | 0 | 0 | 111.7 | A23 V24 R30 S31 | A23-S27 WeakPolarHBondContact O-CB 3.48Å; A23-S27 PolarHBondContact O-N 2.8Å; V24-S27 WeakPolarHBondContact O-CB 3.21Å; V24-S27 PolarHBondContact O-N 3.46Å; S27-R30 PolarHBondContact O-N 3.02Å; S27-S31 PolarHBondContact O-N 2.91Å |
| 28 | I | 93.4 | Very high | 93.5 | Very high | 53 Ų | 53 | 61.2 Ų | 61.2 | 27% | 0.272 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.7 | -44.7 | 176.6 | -62.5 | 167.3 | 0 | 0 | 0 | 110.5 | V24 F25 R30 S31 R32 W240 | V24-I28 HydrophobicContact CG1-CD1 3.95Å; V24-I28 WeakPolarHBondContact O-CG1 3.37Å; V24-I28 PolarHBondContact O-N 3.42Å; F25-I28 PolarHBondContact O-N 3.32Å; I28-R30 VanDerWaalsContact C-N 3.35Å; I28-R30 PolarHBondContact O-N 3.05Å; I28-S31 PolarHBondContact O-N 2.8Å; I28-R32 HydrophobicContact CG2-CG 4.22Å; I28-R32 WeakPolarHBondContact O-CB 3.41Å; I28-R32 VanDerWaalsContact O-CG 3.26Å; I28-R32 WeakPolarHBondContact O-CG 3.17Å; I28-R32 PolarHBondContact O-N 3.1Å; I28-W240 HydrophobicContact CB-CD2 4.2Å; I28-W240 HydrophobicContact CB-CE3 4.25Å; I28-W240 HydrophobicContact CD1-CE3 4.29Å; I28-W240 HydrophobicContact CD1-CH2 3.74Å; I28-W240 HydrophobicContact CD1-CZ2 4.24Å; I28-W240 HydrophobicContact CD1-CZ3 3.78Å; I28-W240 HydrophobicContact CG2-CD2 3.6Å; I28-W240 HydrophobicContact CG2-CE3 4.1Å; I28-W240 HydrophobicContact CG2-CG 3.91Å; I28-W240 HydrophobicContact CG2-CH2 4.4Å; I28-W240 HydrophobicContact CG2-CZ2 3.94Å; I28-W240 HydrophobicContact CG2-CZ3 4.48Å |
| 29 | Y | 94.1 | Very high | 93.3 | Very high | 50 Ų | 50 | 60.8 Ų | 60.8 | 20% | 0.196 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -55.2 | -50 | 174.4 | 166.3 | -107.5 | 0 | 0 | 0 | 111.2 | F25 Y26 S31 R32 V33 V237 R241 | F25-Y29 VanDerWaalsContact O-CB 3.23Å; F25-Y29 WeakPolarHBondContact O-CB 3.17Å; F25-Y29 PolarHBondContact O-N 3.21Å; Y26-Y29 HydrophobicContact CD2-CD1 4.15Å; Y26-Y29 HydrophobicContact CE2-CD1 4.22Å; Y26-Y29 HydrophobicContact CE2-CE1 4.48Å; Y26-Y29 PolarHBondContact O-N 3.26Å; Y29-S31 PolarHBondContact O-N 2.83Å; Y29-R32 PolarHBondContact O-N 3.3Å; Y29-V33 HydrophobicContact CD1-CG2 4.49Å; Y29-V33 HydrophobicContact CD2-CG2 3.83Å; Y29-V33 HydrophobicContact CE1-CG2 4.13Å; Y29-V33 HydrophobicContact CE2-CG2 3.4Å; Y29-V33 HydrophobicContact CG-CG2 4.36Å; Y29-V33 WeakPolarHBondContact O-CB 3.41Å; Y29-V33 VanDerWaalsContact O-CG2 3.25Å; Y29-V33 WeakPolarHBondContact O-CG2 3.39Å; Y29-V33 PolarHBondContact O-N 3.19Å; Y29-V237 HydrophobicContact CD2-CG1 4.01Å; Y29-V237 HydrophobicContact CE2-CG1 3.59Å; Y29-R241 HydrophobicContact CD2-CB 3.7Å; Y29-R241 HydrophobicContact CD2-CG 4.33Å; Y29-R241 HydrophobicContact CE2-CB 3.49Å; Y29-R241 VanDerWaalsContact CE2-CB 3.49Å; Y29-R241 HydrophobicContact CE2-CG 3.77Å |
| 30 | R | 93.7 | Very high | 93.2 | Very high | 175 Ų | 175 | 65.2 Ų | 65.2 | 66% | 0.66 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -61.6 | -43.6 | -179.5 | -174.5 | 179.7 | -179.6 | -173.1 | 0.7 | 112 | Y26 S27 I28 V33 K34 | Y26-R30 VanDerWaalsContact O-CB 3.32Å; Y26-R30 WeakPolarHBondContact O-CB 3.47Å; Y26-R30 PolarHBondContact O-N 2.72Å; S27-R30 PolarHBondContact O-N 3.02Å; I28-R30 VanDerWaalsContact C-N 3.35Å; I28-R30 PolarHBondContact O-N 3.05Å; R30-V33 PolarHBondContact O-N 2.77Å; R30-K34 WeakPolarHBondContact O-CB 3.46Å; R30-K34 PolarHBondContact O-N 2.96Å |
| 31 | S | 90 | Very high | 92.9 | Very high | 71 Ų | 71 | 69.5 Ų | 69.5 | 50% | 0.497 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.7 | -49.1 | 175.4 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | S27 I28 Y29 V33 K34 T35 | S27-S31 PolarHBondContact O-N 2.91Å; I28-S31 PolarHBondContact O-N 2.8Å; Y29-S31 PolarHBondContact O-N 2.83Å; S31-V33 PolarHBondContact O-N 2.87Å; S31-K34 WeakPolarHBondContact O-CB 3.31Å; S31-K34 PolarHBondContact O-N 2.84Å; S31-T35 PolarHBondContact O-N 2.82Å; S31-T35 PolarHBondContact O-OG1 2.85Å |
| 32 | R | 90.6 | Very high | 92.6 | Very high | 103 Ų | 103 | 66.7 Ų | 66.7 | 39% | 0.389 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.4 | -38.8 | 178.9 | -68.6 | -71.6 | -174.4 | 169.2 | -1.4 | 113 | I28 Y29 T35 A36 V237 | I28-R32 HydrophobicContact CG2-CG 4.22Å; I28-R32 WeakPolarHBondContact O-CB 3.41Å; I28-R32 VanDerWaalsContact O-CG 3.26Å; I28-R32 WeakPolarHBondContact O-CG 3.17Å; I28-R32 PolarHBondContact O-N 3.1Å; Y29-R32 PolarHBondContact O-N 3.3Å; R32-T35 PolarHBondContact O-N 2.84Å; R32-A36 WeakPolarHBondContact O-CB 3.29Å; R32-A36 PolarHBondContact O-N 2.9Å; R32-V237 HydrophobicContact CB-CG2 3.75Å |
| 33 | V | 92.5 | Very high | 92.3 | Very high | 43 Ų | 43 | 71.2 Ų | 71.2 | 26% | 0.261 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.8 | -48.6 | 174.2 | 169.9 | 0 | 0 | 0 | 0 | 110.1 | Y29 R30 S31 T35 A36 T37 V237 | Y29-V33 HydrophobicContact CD1-CG2 4.49Å; Y29-V33 HydrophobicContact CD2-CG2 3.83Å; Y29-V33 HydrophobicContact CE1-CG2 4.13Å; Y29-V33 HydrophobicContact CE2-CG2 3.4Å; Y29-V33 HydrophobicContact CG-CG2 4.36Å; Y29-V33 WeakPolarHBondContact O-CB 3.41Å; Y29-V33 VanDerWaalsContact O-CG2 3.25Å; Y29-V33 WeakPolarHBondContact O-CG2 3.39Å; Y29-V33 PolarHBondContact O-N 3.19Å; R30-V33 PolarHBondContact O-N 2.77Å; S31-V33 PolarHBondContact O-N 2.87Å; V33-T35 VanDerWaalsContact C-N 3.34Å; V33-T35 PolarHBondContact O-N 2.89Å; V33-A36 PolarHBondContact O-N 3.36Å; V33-A36 VanDerWaalsContact O-N 3.15Å; V33-T37 HydrophobicContact CG1-CG2 4.21Å; V33-T37 WeakPolarHBondContact O-CG2 3.4Å; V33-T37 PolarHBondContact O-N 3.45Å; V33-T37 PolarHBondContact O-OG1 2.88Å; V33-T37 VanDerWaalsContact O-OG1 3.13Å; V33-V237 HydrophobicContact CG2-CG1 3.49Å; V33-V237 VanDerWaalsContact CG2-CG1 3.49Å; V33-V237 HydrophobicContact CG2-CG2 4.18Å |
| 34 | K | 91.7 | Very high | 92.1 | Very high | 85 Ų | 85 | 73.3 Ų | 73.3 | 37% | 0.37 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -57.4 | -46.4 | 178.6 | -175.4 | -177.7 | 176.3 | -172.2 | 0 | 111.5 | R30 S31 A36 T37 H38 D216 | R30-K34 WeakPolarHBondContact O-CB 3.46Å; R30-K34 PolarHBondContact O-N 2.96Å; S31-K34 WeakPolarHBondContact O-CB 3.31Å; S31-K34 PolarHBondContact O-N 2.84Å; K34-A36 PolarHBondContact O-N 3.18Å; K34-T37 WeakPolarHBondContact CA-OG1 3.3Å; K34-T37 PolarHBondContact O-N 2.73Å; K34-T37 PolarHBondContact O-OG1 2.81Å; K34-H38 WeakPolarHBondContact CE-NE2 3.17Å; K34-H38 WeakPolarHBondContact CG-NE2 3.5Å; K34-H38 PolarHBondContact O-CD2 3.03Å; K34-H38 VanDerWaalsContact O-CG 3.28Å; K34-H38 PolarHBondContact O-N 2.89Å; K34-D216 IonicContact NZ-OD2 3.05Å; K34-D216 PolarHBondContact NZ-OD2 3.48Å |
| 35 | T | 90.4 | Very high | 91.8 | Very high | 19 Ų | 19 | 70.1 Ų | 70.1 | 12% | 0.117 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 175.8 | -54.7 | 0 | 0 | 0 | 0 | 111.8 | S31 R32 V33 H38 L39 C218 F220 | S31-T35 PolarHBondContact O-N 2.82Å; S31-T35 PolarHBondContact O-OG1 2.85Å; R32-T35 PolarHBondContact O-N 2.84Å; V33-T35 VanDerWaalsContact C-N 3.34Å; V33-T35 PolarHBondContact O-N 2.89Å; T35-H38 PolarHBondContact O-N 3.38Å; T35-L39 VanDerWaalsContact O-CB 3.32Å; T35-L39 WeakPolarHBondContact O-CB 3.48Å; T35-L39 PolarHBondContact O-N 2.82Å; T35-C218 HydrophobicContact CG2-CB 4.26Å; T35-F220 HydrophobicContact CG2-CE2 4.1Å; T35-F220 HydrophobicContact CG2-CZ 3.71Å |
| 36 | A | 91.3 | Very high | 91.4 | Very high | 8 Ų | 8 | 71.8 Ų | 71.8 | 7% | 0.066 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -68.3 | -36 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113 | R32 V33 K34 K40 Q233 M234 V237 | R32-A36 WeakPolarHBondContact O-CB 3.29Å; R32-A36 PolarHBondContact O-N 2.9Å; V33-A36 PolarHBondContact O-N 3.36Å; V33-A36 VanDerWaalsContact O-N 3.15Å; K34-A36 PolarHBondContact O-N 3.18Å; A36-K40 WeakPolarHBondContact O-CB 3.43Å; A36-K40 PolarHBondContact O-N 3.26Å; A36-Q233 HydrophobicContact CB-CB 4.5Å; A36-M234 HydrophobicContact CB-CG 4.43Å; A36-V237 HydrophobicContact CB-CG2 4.37Å |
| 37 | T | 91.9 | Very high | 91.1 | Very high | 58 Ų | 58 | 66.2 Ų | 66.2 | 36% | 0.356 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -67.4 | -46.1 | 175.5 | 50.4 | 0 | 0 | 0 | 0 | 110.9 | V33 K34 L39 K40 E41 | V33-T37 HydrophobicContact CG1-CG2 4.21Å; V33-T37 WeakPolarHBondContact O-CG2 3.4Å; V33-T37 PolarHBondContact O-N 3.45Å; V33-T37 PolarHBondContact O-OG1 2.88Å; V33-T37 VanDerWaalsContact O-OG1 3.13Å; K34-T37 WeakPolarHBondContact CA-OG1 3.3Å; K34-T37 PolarHBondContact O-N 2.73Å; K34-T37 PolarHBondContact O-OG1 2.81Å; T37-L39 VanDerWaalsContact C-N 3.34Å; T37-L39 PolarHBondContact O-N 3Å; T37-K40 WeakPolarHBondContact O-CB 3.37Å; T37-K40 PolarHBondContact O-N 3.19Å; T37-K40 VanDerWaalsContact O-N 3.15Å; T37-E41 WeakPolarHBondContact O-CG 3.43Å; T37-E41 PolarHBondContact O-N 3.49Å |
| 38 | H | 90.9 | Very high | 90.7 | Very high | 39 Ų | 39 | 65.6 Ų | 65.6 | 18% | 0.181 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.9 | -40 | 176.6 | -66.7 | -40.8 | 0 | 0 | 0 | 112.1 | K34 T35 K40 E41 A42 Y65 F217 | K34-H38 WeakPolarHBondContact CE-NE2 3.17Å; K34-H38 WeakPolarHBondContact CG-NE2 3.5Å; K34-H38 PolarHBondContact O-CD2 3.03Å; K34-H38 VanDerWaalsContact O-CG 3.28Å; K34-H38 PolarHBondContact O-N 2.89Å; T35-H38 PolarHBondContact O-N 3.38Å; H38-K40 VanDerWaalsContact C-N 3.29Å; H38-K40 PolarHBondContact O-N 3.03Å; H38-E41 IonicContact ND1-OE2 3.99Å; H38-E41 PolarHBondContact O-N 2.81Å; H38-A42 PolarHBondContact O-N 2.75Å; H38-Y65 HydrophobicContact CB-CE1 4.15Å; H38-Y65 WeakPolarHBondContact O-CD1 3.45Å; H38-Y65 VanDerWaalsContact O-CE1 3.29Å; H38-Y65 WeakPolarHBondContact O-CE1 3.41Å; H38-F217 HydrophobicContact CB-CD1 3.98Å; H38-F217 HydrophobicContact CB-CE1 4.03Å; H38-F217 AromaticContact CD2-CD1 3.65Å; H38-F217 AromaticContact CD2-CE1 3.56Å; H38-F217 AromaticContact CE1-CE1 3.71Å; H38-F217 AromaticContact CG-CD1 3.73Å; H38-F217 AromaticContact CG-CE1 3.47Å; H38-F217 VanDerWaalsContact CG-CE1 3.47Å; H38-F217 AromaticContact ND1-CE1 3.57Å; H38-F217 AromaticContact NE2-CE1 3.73Å |
| 39 | L | 90.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.5 | -38.5 | 174.4 | -171.6 | 63.7 | 0 | 0 | 0 | 111.9 | T35 T37 A42 V67 V198 Y226 L229 L230 Q233 | T35-L39 VanDerWaalsContact O-CB 3.32Å; T35-L39 WeakPolarHBondContact O-CB 3.48Å; T35-L39 PolarHBondContact O-N 2.82Å; T37-L39 VanDerWaalsContact C-N 3.34Å; T37-L39 PolarHBondContact O-N 3Å; L39-A42 VanDerWaalsContact O-CB 3.27Å; L39-A42 WeakPolarHBondContact O-CB 3.36Å; L39-A42 PolarHBondContact O-N 3.23Å; L39-V67 HydrophobicContact CD1-CG2 4.47Å; L39-V198 HydrophobicContact CD1-CB 4.48Å; L39-V198 HydrophobicContact CD1-CG1 3.87Å; L39-V198 HydrophobicContact CD1-CG2 4.03Å; L39-Y226 HydrophobicContact CD1-CE2 4.01Å; L39-Y226 HydrophobicContact CG-CE2 4.03Å; L39-Y226 PolarHBondContact O-OH 2.76Å; L39-L229 HydrophobicContact CD1-CD2 4.39Å; L39-L229 HydrophobicContact CD2-CD2 4.25Å; L39-L229 HydrophobicContact CD2-CG 4.04Å; L39-L230 HydrophobicContact CB-CD1 4.16Å; L39-L230 HydrophobicContact CD2-CB 4.38Å; L39-L230 HydrophobicContact CD2-CD1 3.86Å; L39-L230 HydrophobicContact CG-CD1 3.91Å; L39-Q233 HydrophobicContact CD2-CG 4.27Å |
| 40 | K | 91.1 | Very high | 89.1 | Confident | 145 Ų | 145 | 73 Ų | 73 | 63% | 0.63 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -70.3 | -34.6 | 176.5 | -171.7 | -178.4 | 178.1 | -174.8 | 0 | 113.2 | A36 T37 H38 A42 L230 M234 | A36-K40 WeakPolarHBondContact O-CB 3.43Å; A36-K40 PolarHBondContact O-N 3.26Å; T37-K40 WeakPolarHBondContact O-CB 3.37Å; T37-K40 PolarHBondContact O-N 3.19Å; T37-K40 VanDerWaalsContact O-N 3.15Å; H38-K40 VanDerWaalsContact C-N 3.29Å; H38-K40 PolarHBondContact O-N 3.03Å; K40-A42 VanDerWaalsContact C-N 3.29Å; K40-L230 HydrophobicContact CB-CD1 4.3Å; K40-M234 HydrophobicContact CD-CE 4.19Å |
| 41 | E | 90.7 | Very high | 88.7 | Confident | 145 Ų | 145 | 64.8 Ų | 64.8 | 68% | 0.678 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -76.7 | -16.9 | 176.5 | -71.8 | 167.5 | 179.1 | 0 | 0 | 112.7 | T37 H38 K43 | T37-E41 WeakPolarHBondContact O-CG 3.43Å; T37-E41 PolarHBondContact O-N 3.49Å; H38-E41 IonicContact ND1-OE2 3.99Å; H38-E41 PolarHBondContact O-N 2.81Å; E41-K43 PolarHBondContact O-N 2.98Å |
| 42 | A | 89.8 | Confident | 88.5 | Confident | 11 Ų | 11 | 65.8 Ų | 65.8 | 9% | 0.091 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -61 | 133.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | H38 L39 K40 K44 Y65 V67 | H38-A42 PolarHBondContact O-N 2.75Å; L39-A42 VanDerWaalsContact O-CB 3.27Å; L39-A42 WeakPolarHBondContact O-CB 3.36Å; L39-A42 PolarHBondContact O-N 3.23Å; K40-A42 VanDerWaalsContact C-N 3.29Å; A42-K44 PolarHBondContact O-N 2.89Å; A42-Y65 HydrophobicContact CB-CD1 3.5Å; A42-Y65 VanDerWaalsContact CB-CD1 3.5Å; A42-Y65 HydrophobicContact CB-CE1 3.78Å; A42-Y65 HydrophobicContact CB-CG 4.47Å; A42-V67 HydrophobicContact CB-CG2 3.71Å |
| 43 | K | 89.1 | Confident | 88.2 | Confident | 121 Ų | 121 | 62.9 Ų | 62.9 | 53% | 0.526 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 117.9 | 176.5 | -168.5 | 176.1 | -179.7 | -179.1 | 0 | 108.8 | E41 I45 A66 V67 | E41-K43 PolarHBondContact O-N 2.98Å; K43-I45 HydrophobicContact CB-CG1 4.36Å; K43-I45 HydrophobicContact CD-CD1 4.25Å; K43-I45 HydrophobicContact CD-CG1 4.24Å; K43-I45 HydrophobicContact CG-CD1 4.34Å; K43-I45 HydrophobicContact CG-CG1 3.93Å; K43-A66 WeakPolarHBondContact O-CA 3.49Å; K43-V67 PolarHBondContact O-N 3.29Å |
| 44 | K | 91.4 | Very high | 87.9 | Confident | 107 Ų | 107 | 63.5 Ų | 63.5 | 47% | 0.465 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 125.9 | 168.3 | -175.1 | 172.8 | 179.6 | 165.4 | 0 | 109.1 | A42 E69 Y226 | A42-K44 PolarHBondContact O-N 2.89Å; K44-E69 VanDerWaalsContact CE-OE2 3.31Å; K44-E69 WeakPolarHBondContact CE-OE2 3.34Å; K44-E69 IonicContact NZ-OE1 2.69Å; K44-E69 PolarHBondContact NZ-OE1 3.44Å; K44-E69 VanDerWaalsContact NZ-OE1 3.12Å; K44-E69 IonicContact NZ-OE2 3.51Å; K44-E69 PolarHBondContact NZ-OE2 2.92Å; K44-Y226 HydrophobicContact CD-CD1 4.47Å |
| 45 | I | 90.1 | Very high | 87.7 | Confident | 11 Ų | 11 | 59.4 Ų | 59.4 | 6% | 0.056 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 125.4 | -176.7 | -54.1 | 175.8 | 0 | 0 | 0 | 108.7 | K43 L51 I63 A66 V67 L201 | K43-I45 HydrophobicContact CB-CG1 4.36Å; K43-I45 HydrophobicContact CD-CD1 4.25Å; K43-I45 HydrophobicContact CD-CG1 4.24Å; K43-I45 HydrophobicContact CG-CD1 4.34Å; K43-I45 HydrophobicContact CG-CG1 3.93Å; I45-L51 HydrophobicContact CG2-CD1 3.3Å; I45-I63 HydrophobicContact CD1-CD1 3.41Å; I45-I63 VanDerWaalsContact CD1-CD1 3.41Å; I45-A66 HydrophobicContact CD1-CB 3.94Å; I45-V67 PolarHBondContact N-O 3.35Å; I45-L201 HydrophobicContact CD1-CD2 4.41Å |
| 46 | S | 87.9 | Confident | 87.4 | Confident | 67 Ų | 67 | 61.7 Ų | 61.7 | 47% | 0.469 | 32% | 0.318 | S | S | . | . | trans | -78.6 | 151.3 | 173.5 | 38.5 | 0 | 0 | 0 | 0 | 111.4 | D48 | S46-D48 VanDerWaalsContact C-N 3.27Å; S46-D48 VanDerWaalsContact CB-OD2 3.24Å; S46-D48 WeakPolarHBondContact CB-OD2 3.21Å; S46-D48 PolarHBondContact O-N 3.21Å; S46-D48 PolarHBondContact OG-OD2 3.19Å | ||
| 47 | I | 87.6 | Confident | 87.2 | Confident | 4 Ų | 4 | 69 Ų | 69 | 2% | 0.021 | 35% | 0.35 | C | S | . | . | trans | -82.7 | 77.5 | 176.3 | -52.6 | 176 | 0 | 0 | 0 | 108.4 | I68 L128 S130 T137 V139 | I47-I68 HydrophobicContact CD1-CG2 3.61Å; I47-I68 HydrophobicContact CG1-CG2 3.52Å; I47-L128 HydrophobicContact CD1-CB 3.91Å; I47-S130 WeakPolarHBondContact O-CB 3.3Å; I47-S130 PolarHBondContact O-OG 3.45Å; I47-T137 HydrophobicContact CG2-CG2 4.23Å; I47-T137 VanDerWaalsContact CG2-O 3.31Å; I47-T137 WeakPolarHBondContact CG2-O 3.31Å; I47-V139 HydrophobicContact CD1-CG2 4.35Å; I47-V139 HydrophobicContact CG1-CG2 4.29Å; I47-V139 HydrophobicContact CG2-CG2 4.46Å | ||
| 48 | D | 85.6 | Confident | 86.9 | Confident | 63 Ų | 63 | 68.4 Ų | 68.4 | 34% | 0.337 | 35% | 0.347 | S | S | . | . | trans | -109.7 | 172.6 | 179.9 | -55.9 | -29.7 | 0 | 0 | 0 | 111.4 | S46 D50 L51 T137 | S46-D48 VanDerWaalsContact C-N 3.27Å; S46-D48 VanDerWaalsContact CB-OD2 3.24Å; S46-D48 WeakPolarHBondContact CB-OD2 3.21Å; S46-D48 PolarHBondContact O-N 3.21Å; S46-D48 PolarHBondContact OG-OD2 3.19Å; D48-D50 PolarHBondContact O-N 3.42Å; D48-L51 VanDerWaalsContact O-CB 3.26Å; D48-L51 WeakPolarHBondContact O-CB 3.22Å; D48-L51 PolarHBondContact O-N 3.32Å; D48-T137 PolarHBondContact O-OG1 2.66Å | ||
| 49 | Q | 74.4 | Confident | 86.1 | Confident | 146 Ų | 146 | 71.9 Ų | 71.9 | 68% | 0.682 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -28.2 | 178.7 | -151.6 | 162.2 | 10.1 | 0 | 0 | 112 | L51 | Q49-L51 VanDerWaalsContact C-N 3.29Å; Q49-L51 PolarHBondContact O-N 2.82Å |
| 50 | D | 80.8 | Confident | 85.6 | Confident | 113 Ų | 113 | 75.1 Ų | 75.1 | 60% | 0.604 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -9.7 | 179.1 | -60.5 | -28.3 | 0 | 0 | 0 | 113.7 | D48 K52 A53 I54 | D48-D50 PolarHBondContact O-N 3.42Å; D50-K52 PolarHBondContact O-N 2.91Å; D50-A53 WeakPolarHBondContact O-CA 3.49Å; D50-A53 WeakPolarHBondContact O-CB 3.49Å; D50-A53 PolarHBondContact O-N 2.96Å; D50-I54 WeakPolarHBondContact O-CG1 3.47Å; D50-I54 PolarHBondContact O-N 2.96Å |
| 51 | L | 84.7 | Confident | 85.4 | Confident | 2 Ų | 2 | 75.5 Ų | 75.5 | 1% | 0.01 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -57.1 | -37.5 | -179 | -178.4 | 56.3 | 0 | 0 | 0 | 112.2 | I45 D48 Q49 L55 T137 V139 L201 I208 | I45-L51 HydrophobicContact CG2-CD1 3.3Å; D48-L51 VanDerWaalsContact O-CB 3.26Å; D48-L51 WeakPolarHBondContact O-CB 3.22Å; D48-L51 PolarHBondContact O-N 3.32Å; Q49-L51 VanDerWaalsContact C-N 3.29Å; Q49-L51 PolarHBondContact O-N 2.82Å; L51-L55 HydrophobicContact CD1-CD1 4.41Å; L51-L55 HydrophobicContact CG-CD1 4.36Å; L51-L55 WeakPolarHBondContact O-CG 3.48Å; L51-L55 PolarHBondContact O-N 2.75Å; L51-L55 VanDerWaalsContact O-N 3.12Å; L51-T137 HydrophobicContact CB-CG2 4.38Å; L51-T137 HydrophobicContact CD2-CG2 4.3Å; L51-V139 HydrophobicContact CD2-CG2 3.94Å; L51-L201 HydrophobicContact CD1-CD2 4.14Å; L51-I208 HydrophobicContact CB-CD1 4.44Å; L51-I208 HydrophobicContact CD2-CD1 3.76Å; L51-I208 HydrophobicContact CG-CD1 3.84Å |
| 52 | K | 85.1 | Confident | 85.3 | Confident | 92 Ų | 92 | 70.5 Ų | 70.5 | 40% | 0.4 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.9 | -40.4 | 175.8 | -69.8 | -173.7 | 178.8 | -171 | 0 | 111.7 | D50 L55 S56 I208 | D50-K52 PolarHBondContact O-N 2.91Å; K52-L55 PolarHBondContact O-N 3.25Å; K52-S56 WeakPolarHBondContact O-CB 3.1Å; K52-S56 PolarHBondContact O-N 3.12Å; K52-S56 PolarHBondContact O-OG 3.27Å; K52-I208 HydrophobicContact CG-CD1 3.91Å; K52-I208 HydrophobicContact CG-CG1 4.49Å |
| 53 | A | 84.8 | Confident | 85.3 | Confident | 42 Ų | 42 | 70.7 Ų | 70.7 | 35% | 0.347 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64 | -48.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | D50 L55 S56 E57 | D50-A53 WeakPolarHBondContact O-CA 3.49Å; D50-A53 WeakPolarHBondContact O-CB 3.49Å; D50-A53 PolarHBondContact O-N 2.96Å; A53-L55 VanDerWaalsContact C-N 3.29Å; A53-L55 PolarHBondContact O-N 3.21Å; A53-S56 WeakPolarHBondContact CA-OG 3.26Å; A53-S56 PolarHBondContact O-N 3.21Å; A53-S56 PolarHBondContact O-OG 2.94Å; A53-E57 WeakPolarHBondContact O-CG 3.25Å; A53-E57 PolarHBondContact O-N 2.86Å |
| 54 | I | 86.1 | Confident | 85.4 | Confident | 55 Ų | 55 | 68.1 Ų | 68.1 | 28% | 0.282 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -55.9 | -43.7 | 177.9 | -64 | 167.3 | 0 | 0 | 0 | 111.4 | D50 T58 I63 | D50-I54 WeakPolarHBondContact O-CG1 3.47Å; D50-I54 PolarHBondContact O-N 2.96Å; I54-T58 PolarHBondContact O-N 3.47Å; I54-T58 PolarHBondContact O-OG1 3.12Å; I54-I63 HydrophobicContact CG2-CD1 4.49Å |
| 55 | L | 86.9 | Confident | 85.4 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -70.3 | -34.9 | 177.8 | -75.9 | 169.2 | 0 | 0 | 0 | 112.6 | L51 K52 A53 T58 R61 I63 L201 L203 I208 | L51-L55 HydrophobicContact CD1-CD1 4.41Å; L51-L55 HydrophobicContact CG-CD1 4.36Å; L51-L55 WeakPolarHBondContact O-CG 3.48Å; L51-L55 PolarHBondContact O-N 2.75Å; L51-L55 VanDerWaalsContact O-N 3.12Å; K52-L55 PolarHBondContact O-N 3.25Å; A53-L55 VanDerWaalsContact C-N 3.29Å; A53-L55 PolarHBondContact O-N 3.21Å; L55-T58 PolarHBondContact O-N 3.48Å; L55-R61 WeakPolarHBondContact O-CA 3.38Å; L55-I63 HydrophobicContact CD2-CD1 3.77Å; L55-I63 HydrophobicContact CD2-CG1 3.86Å; L55-L201 HydrophobicContact CD1-CD2 3.89Å; L55-L201 HydrophobicContact CD1-CG 4.05Å; L55-L201 HydrophobicContact CD2-CD2 3.97Å; L55-L201 HydrophobicContact CD2-CG 4.09Å; L55-L201 HydrophobicContact CG-CD2 4.27Å; L55-L203 HydrophobicContact CB-CB 3.97Å; L55-L203 HydrophobicContact CB-CD2 4.09Å; L55-L203 HydrophobicContact CD1-CB 4.17Å; L55-I208 HydrophobicContact CD1-CB 4.47Å; L55-I208 HydrophobicContact CD1-CD1 4.26Å; L55-I208 HydrophobicContact CD1-CG1 3.96Å; L55-I208 HydrophobicContact CD1-CG2 3.75Å |
| 56 | S | 85.2 | Confident | 85.6 | Confident | 67 Ų | 67 | 63.4 Ų | 63.4 | 47% | 0.469 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -70 | -32.7 | 177.6 | 72.5 | 0 | 0 | 0 | 0 | 113.3 | K52 A53 | K52-S56 WeakPolarHBondContact O-CB 3.1Å; K52-S56 PolarHBondContact O-N 3.12Å; K52-S56 PolarHBondContact O-OG 3.27Å; A53-S56 WeakPolarHBondContact CA-OG 3.26Å; A53-S56 PolarHBondContact O-N 3.21Å; A53-S56 PolarHBondContact O-OG 2.94Å |
| 57 | E | 86.3 | Confident | 85.9 | Confident | 161 Ų | 161 | 60.2 Ų | 60.2 | 75% | 0.752 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -77 | -25.7 | 177.1 | -71.1 | 176.4 | -176.6 | 0 | 0 | 112.6 | A53 | A53-E57 WeakPolarHBondContact O-CG 3.25Å; A53-E57 PolarHBondContact O-N 2.86Å |
| 58 | T | 84.9 | Confident | 86.3 | Confident | 46 Ų | 46 | 60 Ų | 60 | 28% | 0.282 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -72.7 | 132.8 | -179.8 | -57.4 | 0 | 0 | 0 | 0 | 110.7 | I54 L55 G60 R61 C62 I63 | I54-T58 PolarHBondContact O-N 3.47Å; I54-T58 PolarHBondContact O-OG1 3.12Å; L55-T58 PolarHBondContact O-N 3.48Å; T58-G60 PolarHBondContact O-N 3.3Å; T58-R61 PolarHBondContact O-N 3.23Å; T58-C62 WeakPolarHBondContact CG2-O 3.48Å; T58-I63 HydrophobicContact CG2-CG1 4.28Å |
| 59 | S | 74.6 | Confident | 86.6 | Confident | 112 Ų | 112 | 58.7 Ų | 58.7 | 78% | 0.783 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -56.5 | 123.1 | 177.6 | 48.9 | 0 | 0 | 0 | 0 | 111.1 | ||
| 60 | G | 79.7 | Confident | 87.5 | Confident | 68 Ų | 68 | 51.7 Ų | 51.7 | 70% | 0.701 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | 82.8 | 4.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | T58 C62 | T58-G60 PolarHBondContact O-N 3.3Å; G60-C62 PolarHBondContact O-N 3.48Å; G60-C62 VanDerWaalsContact O-N 3.12Å |
| 61 | R | 88.1 | Confident | 88.2 | Confident | 153 Ų | 153 | 48.1 Ų | 48.1 | 58% | 0.577 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | 55.8 | 25.5 | 179.5 | -59.4 | -177.6 | -178.6 | 178.6 | -0.5 | 114.3 | L55 T58 L203 | L55-R61 WeakPolarHBondContact O-CA 3.38Å; T58-R61 PolarHBondContact O-N 3.23Å; R61-L203 HydrophobicContact CB-CB 4.34Å; R61-L203 PolarHBondContact O-N 2.99Å |
| 62 | C | 88.2 | Confident | 88.7 | Confident | 39 Ų | 39 | 48 Ų | 48 | 26% | 0.264 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 138.1 | -176.9 | 61.5 | 0 | 0 | 0 | 0 | 111.3 | T58 G60 L201 V202 | T58-C62 WeakPolarHBondContact CG2-O 3.48Å; G60-C62 PolarHBondContact O-N 3.48Å; G60-C62 VanDerWaalsContact O-N 3.12Å; C62-L201 CarbonylContact C-O 3.55Å; C62-L201 VanDerWaalsContact CA-O 3.25Å; C62-L201 WeakPolarHBondContact CA-O 3.37Å; C62-V202 HydrophobicContact CB-CG2 4.07Å |
| 63 | I | 90.8 | Very high | 89.1 | Confident | 16 Ų | 16 | 47.3 Ų | 47.3 | 8% | 0.082 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 117.6 | 168.7 | -60.8 | 171.5 | 0 | 0 | 0 | 106.6 | I45 I54 L55 T58 Y65 A66 L201 | I45-I63 HydrophobicContact CD1-CD1 3.41Å; I45-I63 VanDerWaalsContact CD1-CD1 3.41Å; I54-I63 HydrophobicContact CG2-CD1 4.49Å; L55-I63 HydrophobicContact CD2-CD1 3.77Å; L55-I63 HydrophobicContact CD2-CG1 3.86Å; T58-I63 HydrophobicContact CG2-CG1 4.28Å; I63-Y65 VanDerWaalsContact C-N 3.26Å; I63-Y65 PolarHBondContact O-N 3.3Å; I63-A66 HydrophobicContact CB-CB 4.49Å; I63-A66 HydrophobicContact CG2-CB 3.94Å; I63-L201 HydrophobicContact CB-CB 4.32Å; I63-L201 PolarHBondContact N-O 3.22Å; I63-L201 PolarHBondContact O-N 3.46Å |
| 64 | P | 89.8 | Confident | 89.5 | Confident | 67 Ų | 67 | 47.4 Ų | 47.4 | 44% | 0.435 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | -30.6 | -169.7 | 24 | -34 | 0 | 0 | 0 | 113.1 | E200 | P64-E200 WeakPolarHBondContact O-CA 3.48Å |
| 65 | Y | 92.6 | Very high | 89.6 | Confident | 18 Ų | 18 | 47.9 Ų | 47.9 | 7% | 0.071 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 107.3 | -179.1 | -155.9 | -121.4 | 0 | 0 | 0 | 111 | H38 A42 I63 V198 G199 F217 C218 | H38-Y65 HydrophobicContact CB-CE1 4.15Å; H38-Y65 WeakPolarHBondContact O-CD1 3.45Å; H38-Y65 VanDerWaalsContact O-CE1 3.29Å; H38-Y65 WeakPolarHBondContact O-CE1 3.41Å; A42-Y65 HydrophobicContact CB-CD1 3.5Å; A42-Y65 VanDerWaalsContact CB-CD1 3.5Å; A42-Y65 HydrophobicContact CB-CE1 3.78Å; A42-Y65 HydrophobicContact CB-CG 4.47Å; I63-Y65 VanDerWaalsContact C-N 3.26Å; I63-Y65 PolarHBondContact O-N 3.3Å; Y65-V198 HydrophobicContact CD2-CG1 4.45Å; Y65-V198 HydrophobicContact CE1-CG1 3.98Å; Y65-V198 HydrophobicContact CE2-CG1 3.74Å; Y65-V198 VanDerWaalsContact CZ-CG1 3.47Å; Y65-G199 WeakPolarHBondContact CA-O 3.25Å; Y65-F217 HydrophobicContact CD2-CB 3.83Å; Y65-F217 HydrophobicContact CD2-CD2 4.05Å; Y65-F217 AromaticContact CD2-CG 3.96Å; Y65-F217 HydrophobicContact CD2-CG 3.96Å; Y65-F217 HydrophobicContact CE2-CB 3.69Å; Y65-F217 HydrophobicContact CE2-CG 4.22Å; Y65-F217 HydrophobicContact CG-CD2 4.31Å; Y65-F217 HydrophobicContact CG-CG 4.35Å; Y65-C218 WeakPolarHBondContact CE2-O 3.46Å; Y65-C218 PolarHBondContact OH-O 2.86Å |
| 66 | A | 93.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 153.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | K43 I45 I63 V198 G199 L201 | K43-A66 WeakPolarHBondContact O-CA 3.49Å; I45-A66 HydrophobicContact CD1-CB 3.94Å; I63-A66 HydrophobicContact CB-CB 4.49Å; I63-A66 HydrophobicContact CG2-CB 3.94Å; A66-V198 WeakPolarHBondContact O-CA 3.44Å; A66-G199 PolarHBondContact N-O 2.94Å; A66-G199 PolarHBondContact O-N 3.33Å; A66-G199 VanDerWaalsContact O-N 3.1Å; A66-L201 HydrophobicContact CB-CB 4.23Å |
| 67 | V | 95.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 127.1 | 173.8 | -179.8 | 0 | 0 | 0 | 0 | 108.3 | L39 A42 K43 I45 T196 V198 Y226 | L39-V67 HydrophobicContact CD1-CG2 4.47Å; A42-V67 HydrophobicContact CB-CG2 3.71Å; K43-V67 PolarHBondContact O-N 3.29Å; I45-V67 PolarHBondContact N-O 3.35Å; V67-T196 HydrophobicContact CG1-CG2 3.74Å; V67-V198 HydrophobicContact CB-CG2 4.47Å; V67-V198 HydrophobicContact CG1-CG2 4.22Å; V67-V198 HydrophobicContact CG2-CG1 4.03Å; V67-V198 HydrophobicContact CG2-CG2 3.99Å; V67-Y226 HydrophobicContact CB-CD2 4.27Å; V67-Y226 HydrophobicContact CG1-CD2 3.65Å; V67-Y226 HydrophobicContact CG1-CE2 4.4Å; V67-Y226 HydrophobicContact CG1-CG 4.06Å; V67-Y226 HydrophobicContact CG2-CD2 3.8Å; V67-Y226 HydrophobicContact CG2-CE2 3.72Å |
| 68 | I | 94.4 | Very high | 90 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 130 | 178.9 | -61.2 | 176 | 0 | 0 | 0 | 108.5 | I47 L128 V139 T196 G197 L201 | I47-I68 HydrophobicContact CD1-CG2 3.61Å; I47-I68 HydrophobicContact CG1-CG2 3.52Å; I68-L128 HydrophobicContact CG2-CD1 4.44Å; I68-V139 HydrophobicContact CD1-CG1 3.93Å; I68-V139 HydrophobicContact CD1-CG2 4.23Å; I68-V139 HydrophobicContact CG2-CG2 4.49Å; I68-T196 CarbonylContact O-C 3.56Å; I68-T196 WeakPolarHBondContact O-CA 3.23Å; I68-G197 PolarHBondContact N-O 2.91Å; I68-G197 PolarHBondContact O-N 3.42Å; I68-L201 HydrophobicContact CD1-CD1 3.34Å; I68-L201 HydrophobicContact CD1-CD2 3.75Å; I68-L201 HydrophobicContact CD1-CG 4.1Å |
| 69 | E | 93.7 | Very high | 90.4 | Very high | 35 Ų | 35 | 52.5 Ų | 52.5 | 16% | 0.164 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 130.8 | 172.6 | -67 | 175.3 | 172.9 | 0 | 0 | 107.8 | K44 V195 T196 Y226 | K44-E69 VanDerWaalsContact CE-OE2 3.31Å; K44-E69 WeakPolarHBondContact CE-OE2 3.34Å; K44-E69 IonicContact NZ-OE1 2.69Å; K44-E69 PolarHBondContact NZ-OE1 3.44Å; K44-E69 VanDerWaalsContact NZ-OE1 3.12Å; K44-E69 IonicContact NZ-OE2 3.51Å; K44-E69 PolarHBondContact NZ-OE2 2.92Å; E69-V195 WeakPolarHBondContact CA-O 3.47Å; E69-T196 HydrophobicContact CG-CG2 3.96Å; E69-Y226 WeakPolarHBondContact OE1-CB 3.43Å; E69-Y226 PolarHBondContact OE1-N 3.42Å |
| 70 | G | 93.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167 | 168.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | G129 V195 | G70-G129 CarbonylContact C-O 3.55Å; G70-G129 VanDerWaalsContact CA-O 3.3Å; G70-G129 WeakPolarHBondContact CA-O 3.38Å; G70-V195 PolarHBondContact N-O 3.49Å; G70-V195 PolarHBondContact O-N 2.85Å |
| 71 | L | 94.4 | Very high | 92 | Very high | 37 Ų | 37 | 49.5 Ų | 49.5 | 19% | 0.194 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 135.3 | 178.2 | -62.2 | 176.2 | 0 | 0 | 0 | 110.3 | R73 L128 G129 Y131 G192 D193 | L71-R73 PolarHBondContact O-N 2.81Å; L71-L128 CarbonylContact O-C 3.56Å; L71-L128 WeakPolarHBondContact O-CA 3.39Å; L71-G129 PolarHBondContact N-O 2.96Å; L71-G129 PolarHBondContact O-N 2.88Å; L71-Y131 HydrophobicContact CD1-CD1 3.97Å; L71-Y131 HydrophobicContact CD2-CD1 3.75Å; L71-Y131 HydrophobicContact CD2-CE1 3.59Å; L71-Y131 HydrophobicContact CG-CD1 3.7Å; L71-Y131 HydrophobicContact CG-CE1 3.9Å; L71-Y131 HydrophobicContact CG-CG 4.43Å; L71-G192 WeakPolarHBondContact CD2-O 3.4Å; L71-D193 WeakPolarHBondContact CA-O 3.5Å |
| 72 | V | 95 | Very high | 92.2 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.006 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 119.6 | 176.2 | 174.5 | 0 | 0 | 0 | 0 | 110.1 | V90 F126 L128 L189 R190 G192 D193 V195 | V72-V90 HydrophobicContact CG1-CB 4.21Å; V72-V90 HydrophobicContact CG1-CG1 3.63Å; V72-V90 HydrophobicContact CG1-CG2 3.47Å; V72-V90 VanDerWaalsContact CG1-CG2 3.47Å; V72-F126 HydrophobicContact CG1-CD2 4.05Å; V72-F126 HydrophobicContact CG1-CG 4.48Å; V72-L128 HydrophobicContact CG2-CD2 4.07Å; V72-L189 HydrophobicContact CG2-CD1 4.26Å; V72-L189 HydrophobicContact CG2-CD2 4Å; V72-L189 HydrophobicContact CG2-CG 4.08Å; V72-R190 WeakPolarHBondContact CB-O 3.34Å; V72-G192 PolarHBondContact O-N 3.33Å; V72-D193 WeakPolarHBondContact CG2-O 3.39Å; V72-D193 PolarHBondContact N-O 2.89Å; V72-V195 HydrophobicContact CG2-CB 4.15Å; V72-V195 HydrophobicContact CG2-CG2 3.46Å; V72-V195 VanDerWaalsContact CG2-CG2 3.46Å |
| 73 | R | 93.2 | Very high | 92.3 | Very high | 76 Ų | 76 | 49.3 Ų | 49.3 | 29% | 0.287 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 132.3 | 173.6 | -61.4 | -168.5 | -175 | -176.6 | 6.9 | 109.9 | L71 F126 A127 S130 | L71-R73 PolarHBondContact O-N 2.81Å; R73-F126 WeakPolarHBondContact O-CA 3.11Å; R73-F126 WeakPolarHBondContact O-CB 3.19Å; R73-A127 PolarHBondContact N-O 2.94Å; R73-A127 PolarHBondContact O-N 2.82Å; R73-A127 VanDerWaalsContact O-O 3.12Å; R73-S130 PolarHBondContact NH2-O 2.8Å |
| 74 | S | 92.9 | Very high | 92.4 | Very high | 44 Ų | 44 | 51.1 Ų | 51.1 | 31% | 0.308 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 139.2 | 172.8 | 56.7 | 0 | 0 | 0 | 0 | 110.9 | ||
| 75 | V | 88.3 | Confident | 92.3 | Very high | 65 Ų | 65 | 55.5 Ų | 55.5 | 39% | 0.394 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -86.1 | -35.6 | 178.6 | 177.7 | 0 | 0 | 0 | 0 | 112 | P125 A127 | V75-P125 PolarHBondContact N-O 2.75Å; V75-A127 HydrophobicContact CG2-CB 4.09Å |
| 76 | K | 84.1 | Confident | 92.1 | Very high | 174 Ų | 174 | 61.7 Ų | 61.7 | 76% | 0.757 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -136.2 | -81.4 | 179.1 | -68.3 | -173.4 | 177.7 | -172.7 | 0 | 110 | ||
| 77 | D | 90.3 | Very high | 92 | Very high | 116 Ų | 116 | 62.2 Ų | 62.2 | 62% | 0.62 | 32% | 0.322 | S | S | * | . | trans | -100.2 | 151.8 | -174.4 | -53 | -48.5 | 0 | 0 | 0 | 110.6 | V124 | D77-V124 WeakPolarHBondContact O-CG2 3.4Š| ||
| 78 | T | 93.3 | Very high | 92 | Very high | 50 Ų | 50 | 67.1 Ų | 67.1 | 31% | 0.307 | 34% | 0.343 | S | S | . | . | trans | -109.3 | 148.2 | 170.7 | 55.2 | 0 | 0 | 0 | 0 | 109.8 | V191 | T78-V191 HydrophobicContact CG2-CG2 3.91Š| ||
| 79 | L | 93.7 | Very high | 92 | Very high | 31 Ų | 31 | 67.1 Ų | 67.1 | 16% | 0.162 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 136.6 | 167.3 | -61.5 | 173 | 0 | 0 | 0 | 108.6 | K88 G89 E92 N122 V124 M188 | L79-K88 CarbonylContact O-C 3.51Å; L79-K88 WeakPolarHBondContact O-CA 3.37Å; L79-G89 WeakPolarHBondContact CB-O 3.33Å; L79-G89 PolarHBondContact N-O 2.87Å; L79-G89 PolarHBondContact O-N 2.76Å; L79-E92 HydrophobicContact CD1-CB 3.91Å; L79-N122 HydrophobicContact CD1-CB 4.03Å; L79-V124 HydrophobicContact CD1-CG1 4.3Å; L79-V124 HydrophobicContact CD1-CG2 4.37Å; L79-V124 HydrophobicContact CD2-CG1 3.71Å; L79-V124 HydrophobicContact CG-CG1 3.77Å; L79-V124 HydrophobicContact CG-CG2 4.06Å; L79-M188 HydrophobicContact CB-CE 4.24Å |
| 80 | N | 94.1 | Very high | 92 | Very high | 102 Ų | 102 | 65.4 Ų | 65.4 | 55% | 0.545 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 141.8 | 172.5 | -61.9 | -24.4 | 0 | 0 | 0 | 108.5 | C87 | N80-C87 WeakPolarHBondContact CA-O 3.37Å |
| 81 | S | 93.4 | Very high | 92.1 | Very high | 16 Ų | 16 | 65.4 Ų | 65.4 | 11% | 0.112 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 145.6 | 169.4 | 169 | 0 | 0 | 0 | 0 | 110.7 | F83 V84 C87 E186 | S81-F83 PolarHBondContact OG-N 2.82Å; S81-F83 VanDerWaalsContact OG-N 3.12Å; S81-V84 WeakPolarHBondContact CB-O 3.37Å; S81-V84 PolarHBondContact OG-N 3.06Å; S81-C87 PolarHBondContact N-O 2.7Å; S81-E186 VanDerWaalsContact CA-OE1 3.26Å; S81-E186 WeakPolarHBondContact CA-OE1 3.46Å; S81-E186 WeakPolarHBondContact CB-OE2 3.34Å; S81-E186 VanDerWaalsContact OG-CD 3.25Å; S81-E186 PolarHBondContact OG-OE1 3.03Å; S81-E186 PolarHBondContact OG-OE2 2.76Å |
| 82 | Q | 91.2 | Very high | 92.2 | Very high | 119 Ų | 119 | 64 Ų | 64 | 56% | 0.556 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -82.4 | -20.3 | 174.3 | -72.7 | 171.3 | 57.1 | 0 | 0 | 113.1 | E92 E186 | Q82-E92 PolarHBondContact NE2-OE1 3Å; Q82-E186 PolarHBondContact N-OE1 2.84Å |
| 83 | F | 91.3 | Very high | 92.3 | Very high | 68 Ų | 68 | 66.2 Ų | 66.2 | 30% | 0.298 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -115.1 | -23.8 | -171 | -56.6 | -76.9 | 0 | 0 | 0 | 113.6 | S81 L94 Y156 E184 E186 | S81-F83 PolarHBondContact OG-N 2.82Å; S81-F83 VanDerWaalsContact OG-N 3.12Å; F83-L94 HydrophobicContact CE2-CD2 3.76Å; F83-Y156 HydrophobicContact CB-CD1 3.83Å; F83-Y156 HydrophobicContact CB-CD2 3.6Å; F83-Y156 HydrophobicContact CB-CE1 4.25Å; F83-Y156 HydrophobicContact CB-CE2 4.04Å; F83-Y156 HydrophobicContact CB-CG 3.47Å; F83-Y156 VanDerWaalsContact CB-CG 3.47Å; F83-Y156 AromaticContact CD1-CD1 3.83Å; F83-Y156 HydrophobicContact CD1-CD1 3.83Å; F83-Y156 AromaticContact CD1-CE1 3.56Å; F83-Y156 HydrophobicContact CD1-CE1 3.56Å; F83-Y156 HydrophobicContact CD1-CE2 4.38Å; F83-Y156 HydrophobicContact CD1-CG 4.33Å; F83-Y156 AromaticContact CD1-CZ 3.84Å; F83-Y156 AromaticContact CD2-CD1 3.54Å; F83-Y156 HydrophobicContact CD2-CD1 3.54Å; F83-Y156 HydrophobicContact CD2-CE1 4.12Å; F83-Y156 AromaticContact CD2-CG 3.93Å; F83-Y156 HydrophobicContact CD2-CG 3.93Å; F83-Y156 HydrophobicContact CE1-CD1 4.24Å; F83-Y156 AromaticContact CE1-CE1 3.82Å; F83-Y156 HydrophobicContact CE1-CE1 3.82Å; F83-Y156 AromaticContact CE2-CD1 3.98Å; F83-Y156 HydrophobicContact CE2-CD1 3.98Å; F83-Y156 HydrophobicContact CE2-CE1 4.35Å; F83-Y156 AromaticContact CG-CD1 3.45Å; F83-Y156 HydrophobicContact CG-CD1 3.45Å; F83-Y156 VanDerWaalsContact CG-CD1 3.45Å; F83-Y156 HydrophobicContact CG-CD2 4.15Å; F83-Y156 AromaticContact CG-CE1 3.72Å; F83-Y156 HydrophobicContact CG-CE1 3.72Å; F83-Y156 HydrophobicContact CG-CE2 4.37Å; F83-Y156 AromaticContact CG-CG 3.67Å; F83-Y156 HydrophobicContact CG-CG 3.67Å; F83-Y156 HydrophobicContact CZ-CD1 4.3Å; F83-Y156 HydrophobicContact CZ-CE1 4.21Å; F83-E184 HydrophobicContact CE1-CG 4.47Å; F83-E184 HydrophobicContact CZ-CG 3.94Å; F83-E184 WeakPolarHBondContact CZ-OE1 3.31Å; F83-E186 HydrophobicContact CD2-CB 3.85Å; F83-E186 HydrophobicContact CD2-CG 4.32Å; F83-E186 HydrophobicContact CE2-CB 4.06Å |
| 84 | V | 91.8 | Very high | 92.4 | Very high | 54 Ų | 54 | 63.7 Ų | 63.7 | 33% | 0.327 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -121.4 | 120.3 | -175.6 | -175.2 | 0 | 0 | 0 | 0 | 110.5 | S81 C87 | S81-V84 WeakPolarHBondContact CB-O 3.37Å; S81-V84 PolarHBondContact OG-N 3.06Å; V84-C87 HydrophobicContact CB-CB 4.06Å; V84-C87 HydrophobicContact CG1-CB 4.06Å |
| 85 | D | 88.3 | Confident | 92.5 | Very high | 159 Ų | 159 | 61.9 Ų | 61.9 | 85% | 0.85 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | 143.9 | 175.6 | -66.7 | -39.6 | 0 | 0 | 0 | 111.7 | C87 | D85-C87 PolarHBondContact O-N 3.27Å; D85-C87 VanDerWaalsContact O-N 3.14Å |
| 86 | D | 88.8 | Confident | 92.8 | Very high | 148 Ų | 148 | 61.3 Ų | 61.3 | 79% | 0.791 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 13.6 | -179 | -156.3 | 33.2 | 0 | 0 | 0 | 116.1 | K88 | D86-K88 PolarHBondContact O-N 3.03Š|
| 87 | C | 91.4 | Very high | 93.4 | Very high | 12 Ų | 12 | 55.3 Ų | 55.3 | 8% | 0.081 | 28% | 0.283 | C | S | . | . | trans | -88.7 | 108.6 | 173 | -165.4 | 0 | 0 | 0 | 0 | 111.1 | N80 S81 V84 D85 R190 | N80-C87 WeakPolarHBondContact CA-O 3.37Å; S81-C87 PolarHBondContact N-O 2.7Å; V84-C87 HydrophobicContact CB-CB 4.06Å; V84-C87 HydrophobicContact CG1-CB 4.06Å; D85-C87 PolarHBondContact O-N 3.27Å; D85-C87 VanDerWaalsContact O-N 3.14Å; C87-R190 PolarHBondContact SG-NE 3.2Å | ||
| 88 | K | 94.4 | Very high | 93.5 | Very high | 102 Ų | 102 | 52.5 Ų | 52.5 | 44% | 0.443 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 132.4 | 178.8 | -64.9 | 177.9 | -173.6 | 165.1 | 0 | 111.7 | L79 D86 R190 V191 | L79-K88 CarbonylContact O-C 3.51Å; L79-K88 WeakPolarHBondContact O-CA 3.37Å; D86-K88 PolarHBondContact O-N 3.03Å; K88-R190 WeakPolarHBondContact O-CA 3.4Å; K88-V191 PolarHBondContact O-N 2.91Å |
| 89 | G | 94.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 174.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L79 L189 | L79-G89 WeakPolarHBondContact CB-O 3.33Å; L79-G89 PolarHBondContact N-O 2.87Å; L79-G89 PolarHBondContact O-N 2.76Å; G89-L189 CarbonylContact C-O 3.56Å; G89-L189 WeakPolarHBondContact CA-O 3.47Å |
| 90 | V | 95.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | -23.8 | 179.7 | -61.5 | 0 | 0 | 0 | 0 | 112.7 | V72 V124 F126 L189 V191 | V72-V90 HydrophobicContact CG1-CB 4.21Å; V72-V90 HydrophobicContact CG1-CG1 3.63Å; V72-V90 HydrophobicContact CG1-CG2 3.47Å; V72-V90 VanDerWaalsContact CG1-CG2 3.47Å; V90-V124 HydrophobicContact CB-CG2 4.05Å; V90-V124 HydrophobicContact CG1-CG2 4.39Å; V90-V124 VanDerWaalsContact O-CG2 3.3Å; V90-V124 WeakPolarHBondContact O-CG2 3.12Å; V90-V124 PolarHBondContact O-N 2.97Å; V90-F126 HydrophobicContact CB-CB 3.75Å; V90-F126 HydrophobicContact CB-CD1 3.74Å; V90-F126 HydrophobicContact CB-CG 3.83Å; V90-F126 HydrophobicContact CG1-CB 3.55Å; V90-F126 HydrophobicContact CG1-CD1 4.5Å; V90-F126 HydrophobicContact CG1-CG 4.11Å; V90-F126 HydrophobicContact CG2-CB 4.12Å; V90-F126 HydrophobicContact CG2-CD1 3.67Å; V90-F126 HydrophobicContact CG2-CD2 4.09Å; V90-F126 HydrophobicContact CG2-CE1 4.03Å; V90-F126 HydrophobicContact CG2-CE2 4.41Å; V90-F126 HydrophobicContact CG2-CG 3.7Å; V90-F126 HydrophobicContact CG2-CZ 4.39Å; V90-L189 HydrophobicContact CG2-CB 4Å; V90-L189 HydrophobicContact CG2-CD2 3.76Å; V90-L189 HydrophobicContact CG2-CG 3.87Å; V90-L189 PolarHBondContact N-O 2.82Å; V90-V191 HydrophobicContact CG1-CG2 4.02Å |
| 91 | I | 95.4 | Very high | 93 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 133.4 | 172.6 | -61.1 | 171.3 | 0 | 0 | 0 | 106.2 | T121 N122 T123 F126 P144 L150 L152 M188 L189 | I91-T121 HydrophobicContact CG2-CG2 4.26Å; I91-N122 WeakPolarHBondContact CA-O 3.35Å; I91-T123 HydrophobicContact CG1-CG2 4.07Å; I91-T123 HydrophobicContact CG2-CG2 4.18Å; I91-F126 HydrophobicContact CD1-CE1 3.93Å; I91-F126 HydrophobicContact CD1-CZ 4.17Å; I91-F126 HydrophobicContact CG1-CE1 4.1Å; I91-P144 HydrophobicContact CD1-CB 3.89Å; I91-P144 HydrophobicContact CD1-CG 4.23Å; I91-L150 HydrophobicContact CD1-CD1 4.09Å; I91-L150 HydrophobicContact CD1-CD2 4.24Å; I91-L152 HydrophobicContact CB-CD2 4.16Å; I91-L152 HydrophobicContact CG2-CD1 4.14Å; I91-L152 HydrophobicContact CG2-CD2 3.88Å; I91-M188 CarbonylContact O-C 3.58Å; I91-M188 WeakPolarHBondContact O-CA 3.49Å; I91-M188 WeakPolarHBondContact O-CB 3.45Å; I91-L189 HydrophobicContact CB-CB 4.01Å; I91-L189 HydrophobicContact CD1-CB 4.49Å; I91-L189 HydrophobicContact CD1-CD2 4.07Å; I91-L189 HydrophobicContact CG1-CB 4.46Å; I91-L189 PolarHBondContact O-N 3.32Å |
| 92 | E | 95.7 | Very high | 92.8 | Very high | 6 Ų | 6 | 50.3 Ų | 50.3 | 3% | 0.028 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 131.2 | 175.6 | -179.9 | -157.6 | -159.7 | 0 | 0 | 107.6 | L79 Q82 L94 T121 N122 E186 E187 M188 | L79-E92 HydrophobicContact CD1-CB 3.91Å; Q82-E92 PolarHBondContact NE2-OE1 3Å; E92-L94 HydrophobicContact CG-CG 4.4Å; E92-T121 CarbonylContact O-C 3.57Å; E92-T121 VanDerWaalsContact O-CA 3.3Å; E92-T121 WeakPolarHBondContact O-CA 3.46Å; E92-N122 HydrophobicContact CB-CB 4.48Å; E92-N122 PolarHBondContact N-O 2.73Å; E92-N122 PolarHBondContact O-N 3.24Å; E92-N122 PolarHBondContact OE2-ND2 2.83Å; E92-E186 HydrophobicContact CG-CG 4.37Å; E92-E187 CarbonylContact C-O 3.52Å; E92-M188 HydrophobicContact CB-CE 4.04Å; E92-M188 HydrophobicContact CB-CG 4.36Å; E92-M188 HydrophobicContact CG-CE 4.17Å; E92-M188 HydrophobicContact CG-CG 4.22Å |
| 93 | R | 96.1 | Very high | 92.6 | Very high | 48 Ų | 48 | 48.9 Ų | 48.9 | 18% | 0.181 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 117 | 174.7 | -176.4 | -171.3 | -65.3 | 155.5 | -0.8 | 109.5 | Q119 R120 T121 L152 E186 E187 | R93-Q119 HydrophobicContact CG-CG 4.14Å; R93-R120 CarbonylContact C-O 3.6Å; R93-R120 WeakPolarHBondContact CA-O 3.44Å; R93-T121 HydrophobicContact CB-CG2 4.46Å; R93-L152 HydrophobicContact CB-CD1 3.85Å; R93-E186 WeakPolarHBondContact O-CA 3.5Å; R93-E187 HydrophobicContact CB-CB 4.36Å; R93-E187 VanDerWaalsContact CD-OE2 3.29Å; R93-E187 WeakPolarHBondContact CD-OE2 3.4Å; R93-E187 IonicContact CZ-OE2 3.74Å; R93-E187 PolarHBondContact N-O 3.33Å; R93-E187 IonicContact NE-OE2 2.62Å; R93-E187 IonicContact NH1-OE2 3.67Å; R93-E187 PolarHBondContact NH1-OE2 3.38Å; R93-E187 PolarHBondContact O-N 3.44Å |
| 94 | L | 95.7 | Very high | 92.3 | Very high | 24 Ų | 24 | 48 Ų | 48 | 13% | 0.126 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 122.2 | 175.2 | -58.5 | 154 | 0 | 0 | 0 | 107.6 | F83 E92 Q119 R120 E186 | F83-L94 HydrophobicContact CE2-CD2 3.76Å; E92-L94 HydrophobicContact CG-CG 4.4Å; L94-Q119 CarbonylContact O-C 3.49Å; L94-Q119 VanDerWaalsContact O-CA 3.31Å; L94-Q119 WeakPolarHBondContact O-CA 3.39Å; L94-R120 PolarHBondContact N-O 3.34Å; L94-R120 PolarHBondContact O-N 2.89Å; L94-E186 HydrophobicContact CD2-CB 4.03Å; L94-E186 HydrophobicContact CD2-CG 3.75Å |
| 95 | T | 96.1 | Very high | 92 | Very high | 5 Ų | 5 | 55.6 Ų | 55.6 | 3% | 0.031 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 120.6 | -179 | -48.9 | 0 | 0 | 0 | 0 | 109.6 | K97 I116 M185 | T95-K97 HydrophobicContact CG2-CD 4.37Å; T95-K97 HydrophobicContact CG2-CG 3.73Å; T95-I116 HydrophobicContact CG2-CG2 4.13Å; T95-M185 PolarHBondContact N-O 2.95Å; T95-M185 PolarHBondContact O-N 3.3Å |
| 96 | L | 95.1 | Very high | 92 | Very high | 54 Ų | 54 | 54 Ų | 54 | 28% | 0.283 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 115.8 | 168.6 | -64.5 | 177.9 | 0 | 0 | 0 | 108.4 | I117 H118 H183 E184 | L96-I117 HydrophobicContact CB-CB 4.41Å; L96-I117 PolarHBondContact O-N 3.33Å; L96-H118 HydrophobicContact CB-CB 4.25Å; L96-H118 HydrophobicContact CD1-CB 4.25Å; L96-H118 PolarHBondContact N-O 3.02Å; L96-H118 PolarHBondContact O-N 2.77Å; L96-H183 CarbonylContact C-O 3.59Å; L96-H183 WeakPolarHBondContact CA-O 3.46Å; L96-E184 HydrophobicContact CD2-CB 3.68Å; L96-E184 HydrophobicContact CD2-CG 3.63Å |
| 97 | K | 94.9 | Very high | 91.9 | Very high | 48 Ų | 48 | 50.3 Ų | 50.3 | 21% | 0.209 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 130.8 | 178.1 | -57.8 | -177.6 | 179.2 | 174.7 | 0 | 110.3 | T95 E114 K115 I116 I182 H183 M185 | T95-K97 HydrophobicContact CG2-CD 4.37Å; T95-K97 HydrophobicContact CG2-CG 3.73Å; K97-E114 IonicContact NZ-OE2 3.12Å; K97-K115 CarbonylContact C-O 3.56Å; K97-K115 WeakPolarHBondContact CA-O 3.34Å; K97-I116 HydrophobicContact CG-CG1 4.24Å; K97-I182 CarbonylContact O-C 3.51Å; K97-I182 WeakPolarHBondContact O-CA 3.45Å; K97-H183 HydrophobicContact CB-CB 4.24Å; K97-H183 PolarHBondContact N-O 2.94Å; K97-H183 PolarHBondContact O-N 3.26Å; K97-M185 HydrophobicContact CD-CE 4.24Å |
| 98 | E | 92.8 | Very high | 91.6 | Very high | 57 Ų | 57 | 55.8 Ų | 55.8 | 27% | 0.266 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 127.3 | 166.5 | -170.1 | 176.9 | -154.9 | 0 | 0 | 109 | E114 K115 I117 | E98-E114 CarbonylContact O-C 3.41Å; E98-E114 WeakPolarHBondContact O-CA 3.41Å; E98-K115 PolarHBondContact N-O 3.31Å; E98-K115 PolarHBondContact O-N 3.41Å; E98-I117 HydrophobicContact CB-CD1 3.75Å; E98-I117 HydrophobicContact CB-CG1 3.74Å |
| 99 | E | 92.3 | Very high | 91.2 | Very high | 32 Ų | 32 | 56 Ų | 56 | 15% | 0.15 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 121.4 | 167.8 | -162 | -164.8 | 172.6 | 0 | 0 | 108.7 | C112 E114 F159 K180 G181 H183 | E99-C112 WeakPolarHBondContact CG-SG 3.24Å; E99-C112 PolarHBondContact OE1-SG 3.03Å; E99-E114 HydrophobicContact CG-CG 4.42Å; E99-F159 HydrophobicContact CB-CE2 4.41Å; E99-K180 HydrophobicContact CB-CB 4.35Å; E99-K180 HydrophobicContact CB-CD 4.46Å; E99-K180 HydrophobicContact CG-CD 3.83Å; E99-K180 WeakPolarHBondContact O-CB 3.42Å; E99-K180 PolarHBondContact O-N 3.05Å; E99-K180 WeakPolarHBondContact OE1-CD 3.33Å; E99-K180 IonicContact OE1-NZ 3.24Å; E99-K180 PolarHBondContact OE1-NZ 3.45Å; E99-K180 WeakPolarHBondContact OE2-CD 3.39Å; E99-G181 PolarHBondContact N-O 2.87Å; E99-G181 PolarHBondContact O-N 2.84Å; E99-H183 IonicContact OE2-NE2 2.71Å |
| 100 | K | 89.9 | Confident | 90.8 | Very high | 33 Ų | 33 | 61 Ų | 61 | 14% | 0.143 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 143.1 | 179.6 | 71 | -179.2 | -167.7 | 164.2 | 0 | 112 | V102 T113 E177 R178 | K100-V102 HydrophobicContact CD-CG2 4.36Å; K100-V102 HydrophobicContact CG-CG2 4.15Å; K100-T113 VanDerWaalsContact CG-OG1 3.23Å; K100-T113 WeakPolarHBondContact CG-OG1 3.44Å; K100-T113 PolarHBondContact N-O 2.88Å; K100-T113 PolarHBondContact O-N 2.83Å; K100-T113 VanDerWaalsContact O-O 3.08Å; K100-T113 PolarHBondContact O-OG1 3.21Å; K100-E177 IonicContact NZ-OE1 3.93Å; K100-E177 PolarHBondContact NZ-OE1 2.9Å; K100-E177 IonicContact NZ-OE2 3.77Å; K100-E177 PolarHBondContact NZ-OE2 2.87Å; K100-R178 CarbonylContact C-O 3.55Å; K100-R178 WeakPolarHBondContact CA-O 3.32Å |
| 101 | M | 88.3 | Confident | 90.5 | Very high | 48 Ų | 48 | 64.3 Ų | 64.3 | 24% | 0.236 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 124.5 | 169.9 | -64.4 | -64.8 | -137.6 | 0 | 0 | 109.3 | W110 N111 C112 E177 R178 K180 | M101-W110 HydrophobicContact CB-CE3 3.73Å; M101-W110 HydrophobicContact CB-CZ3 4.34Å; M101-N111 CarbonylContact C-O 3.54Å; M101-N111 WeakPolarHBondContact CA-O 3.42Å; M101-C112 HydrophobicContact SD-CB 3.74Å; M101-E177 CarbonylContact O-C 3.57Å; M101-E177 WeakPolarHBondContact O-CA 3.47Å; M101-R178 HydrophobicContact CB-CB 4.25Å; M101-R178 PolarHBondContact N-O 3.42Å; M101-R178 PolarHBondContact O-N 3.13Å; M101-K180 HydrophobicContact CG-CD 4.08Å; M101-K180 HydrophobicContact CG-CG 4.07Å; M101-K180 HydrophobicContact SD-CD 4.35Å; M101-K180 WeakPolarHBondContact SD-CE 3.42Å |
| 102 | V | 89.9 | Confident | 90.1 | Very high | 40 Ų | 40 | 67.2 Ų | 67.2 | 24% | 0.242 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 127.3 | 176.7 | -179.4 | 0 | 0 | 0 | 0 | 108.8 | K100 N104 N111 T113 E177 | K100-V102 HydrophobicContact CD-CG2 4.36Å; K100-V102 HydrophobicContact CG-CG2 4.15Å; V102-N104 PolarHBondContact O-N 2.89Å; V102-N111 PolarHBondContact N-O 3.02Å; V102-N111 PolarHBondContact O-N 2.82Å; V102-T113 HydrophobicContact CG2-CG2 4.23Å; V102-T113 WeakPolarHBondContact CG2-OG1 3.39Å; V102-E177 HydrophobicContact CG2-CG 4.4Å |
| 103 | W | 86.9 | Confident | 89.8 | Confident | 89 Ų | 89 | 69.3 Ų | 69.3 | 34% | 0.337 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 115.1 | 175.3 | 179.6 | -104.7 | 0 | 0 | 0 | 110.4 | R105 H108 W110 G176 | W103-R105 PolarHBondContact O-N 3.34Å; W103-H108 HydrophobicContact CH2-CB 3.98Å; W103-H108 WeakPolarHBondContact CH2-O 3.46Å; W103-H108 HydrophobicContact CZ2-CB 3.79Å; W103-H108 AromaticContact CZ2-ND1 3.8Å; W103-H108 VanDerWaalsContact CZ3-O 3.31Å; W103-H108 WeakPolarHBondContact CZ3-O 3.43Å; W103-W110 HydrophobicContact CB-CD2 4.33Å; W103-W110 HydrophobicContact CB-CE3 4.01Å; W103-W110 HydrophobicContact CB-CH2 4.03Å; W103-W110 HydrophobicContact CB-CZ2 4.31Å; W103-W110 HydrophobicContact CB-CZ3 3.87Å; W103-W110 AromaticContact CE3-CD1 3.51Å; W103-W110 AromaticContact CE3-CD2 3.77Å; W103-W110 HydrophobicContact CE3-CD2 3.77Å; W103-W110 AromaticContact CE3-CE2 3.53Å; W103-W110 AromaticContact CE3-CG 3.78Å; W103-W110 HydrophobicContact CE3-CG 3.78Å; W103-W110 HydrophobicContact CE3-CZ2 4.17Å; W103-W110 AromaticContact CE3-NE1 3.33Å; W103-W110 VanDerWaalsContact CE3-NE1 3.33Å; W103-W110 AromaticContact CZ3-CD1 3.52Å; W103-W110 HydrophobicContact CZ3-CG 4.2Å; W103-W110 AromaticContact CZ3-NE1 3.46Å; W103-G176 PolarHBondContact N-O 2.95Å |
| 104 | N | 85.7 | Confident | 89.6 | Confident | 49 Ų | 49 | 73.1 Ų | 73.1 | 26% | 0.262 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 112.5 | 174.4 | -173.3 | -26.4 | 0 | 0 | 0 | 109.8 | V102 T106 T107 H108 L109 | V102-N104 PolarHBondContact O-N 2.89Å; N104-T106 PolarHBondContact O-N 3.1Å; N104-T106 WeakPolarHBondContact OD1-CB 3.44Å; N104-T106 PolarHBondContact OD1-N 2.9Å; N104-T107 VanDerWaalsContact CB-OG1 3.32Å; N104-T107 WeakPolarHBondContact CB-OG1 3.49Å; N104-T107 VanDerWaalsContact CG-OG1 3.27Å; N104-T107 PolarHBondContact ND2-OG1 2.56Å; N104-T107 PolarHBondContact OD1-N 2.98Å; N104-H108 VanDerWaalsContact O-CA 3.31Å; N104-H108 WeakPolarHBondContact O-CA 3.14Å; N104-H108 PolarHBondContact O-N 2.87Å; N104-L109 WeakPolarHBondContact CB-O 3.46Å; N104-L109 PolarHBondContact N-O 3.29Å |
| 105 | R | 84.9 | Confident | 89.4 | Confident | 213 Ų | 213 | 77.6 Ų | 77.6 | 80% | 0.804 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -25.3 | -179.3 | -66.5 | -174.1 | 178.6 | -173.8 | -0.6 | 113.7 | W103 | W103-R105 PolarHBondContact O-N 3.34Š|
| 106 | T | 87.1 | Confident | 89.2 | Confident | 125 Ų | 125 | 81.6 Ų | 81.6 | 77% | 0.767 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -41.7 | -176.9 | -48.4 | 0 | 0 | 0 | 0 | 111.7 | N104 | N104-T106 PolarHBondContact O-N 3.1Å; N104-T106 WeakPolarHBondContact OD1-CB 3.44Å; N104-T106 PolarHBondContact OD1-N 2.9Å |
| 107 | T | 87.5 | Confident | 89.1 | Confident | 72 Ų | 72 | 83.2 Ų | 83.2 | 44% | 0.442 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -9.8 | -179.2 | 60.2 | 0 | 0 | 0 | 0 | 113.3 | N104 L109 | N104-T107 VanDerWaalsContact CB-OG1 3.32Å; N104-T107 WeakPolarHBondContact CB-OG1 3.49Å; N104-T107 VanDerWaalsContact CG-OG1 3.27Å; N104-T107 PolarHBondContact ND2-OG1 2.56Å; N104-T107 PolarHBondContact OD1-N 2.98Å; T107-L109 PolarHBondContact O-N 2.72Å |
| 108 | H | 84.9 | Confident | 89.1 | Confident | 127 Ų | 127 | 85.9 Ų | 85.9 | 59% | 0.588 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 35.4 | -172.6 | -64.1 | -92.6 | 0 | 0 | 0 | 112.8 | W103 N104 | W103-H108 HydrophobicContact CH2-CB 3.98Å; W103-H108 WeakPolarHBondContact CH2-O 3.46Å; W103-H108 HydrophobicContact CZ2-CB 3.79Å; W103-H108 AromaticContact CZ2-ND1 3.8Å; W103-H108 VanDerWaalsContact CZ3-O 3.31Å; W103-H108 WeakPolarHBondContact CZ3-O 3.43Å; N104-H108 VanDerWaalsContact O-CA 3.31Å; N104-H108 WeakPolarHBondContact O-CA 3.14Å; N104-H108 PolarHBondContact O-N 2.87Å |
| 109 | L | 87.2 | Confident | 89.2 | Confident | 107 Ų | 107 | 87.4 Ų | 87.4 | 56% | 0.56 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 146.2 | 178.4 | -69 | 169 | 0 | 0 | 0 | 110.3 | N104 T107 | N104-L109 WeakPolarHBondContact CB-O 3.46Å; N104-L109 PolarHBondContact N-O 3.29Å; T107-L109 PolarHBondContact O-N 2.72Å |
| 110 | W | 84.7 | Confident | 89.3 | Confident | 103 Ų | 103 | 92.2 Ų | 92.2 | 39% | 0.39 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 117.3 | 168.1 | -71.4 | 97.6 | 0 | 0 | 0 | 109.2 | M101 W103 R178 | M101-W110 HydrophobicContact CB-CE3 3.73Å; M101-W110 HydrophobicContact CB-CZ3 4.34Å; W103-W110 HydrophobicContact CB-CD2 4.33Å; W103-W110 HydrophobicContact CB-CE3 4.01Å; W103-W110 HydrophobicContact CB-CH2 4.03Å; W103-W110 HydrophobicContact CB-CZ2 4.31Å; W103-W110 HydrophobicContact CB-CZ3 3.87Å; W103-W110 AromaticContact CE3-CD1 3.51Å; W103-W110 AromaticContact CE3-CD2 3.77Å; W103-W110 HydrophobicContact CE3-CD2 3.77Å; W103-W110 AromaticContact CE3-CE2 3.53Å; W103-W110 AromaticContact CE3-CG 3.78Å; W103-W110 HydrophobicContact CE3-CG 3.78Å; W103-W110 HydrophobicContact CE3-CZ2 4.17Å; W103-W110 AromaticContact CE3-NE1 3.33Å; W103-W110 VanDerWaalsContact CE3-NE1 3.33Å; W103-W110 AromaticContact CZ3-CD1 3.52Å; W103-W110 HydrophobicContact CZ3-CG 4.2Å; W103-W110 AromaticContact CZ3-NE1 3.46Å; W110-R178 HydrophobicContact CZ3-CB 4.19Å |
| 111 | N | 89.1 | Confident | 89.6 | Confident | 70 Ų | 70 | 92.9 Ų | 92.9 | 37% | 0.374 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 130.7 | 175.5 | -73.3 | -18.5 | 0 | 0 | 0 | 109.8 | M101 V102 | M101-N111 CarbonylContact C-O 3.54Å; M101-N111 WeakPolarHBondContact CA-O 3.42Å; V102-N111 PolarHBondContact N-O 3.02Å; V102-N111 PolarHBondContact O-N 2.82Å |
| 112 | C | 87.6 | Confident | 89.9 | Confident | 61 Ų | 61 | 92.2 Ų | 92.2 | 41% | 0.412 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 129.8 | 168.9 | -160.5 | 0 | 0 | 0 | 0 | 109.6 | E99 M101 K180 | E99-C112 WeakPolarHBondContact CG-SG 3.24Å; E99-C112 PolarHBondContact OE1-SG 3.03Å; M101-C112 HydrophobicContact SD-CB 3.74Å; C112-K180 PolarHBondContact SG-NZ 2.93Å |
| 113 | T | 88.6 | Confident | 90.1 | Very high | 50 Ų | 50 | 93.3 Ų | 93.3 | 31% | 0.307 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 136 | 177.5 | 57.2 | 0 | 0 | 0 | 0 | 109.1 | K100 V102 | K100-T113 VanDerWaalsContact CG-OG1 3.23Å; K100-T113 WeakPolarHBondContact CG-OG1 3.44Å; K100-T113 PolarHBondContact N-O 2.88Å; K100-T113 PolarHBondContact O-N 2.83Å; K100-T113 VanDerWaalsContact O-O 3.08Å; K100-T113 PolarHBondContact O-OG1 3.21Å; V102-T113 HydrophobicContact CG2-CG2 4.23Å; V102-T113 WeakPolarHBondContact CG2-OG1 3.39Å |
| 114 | E | 91.7 | Very high | 90.5 | Very high | 128 Ų | 128 | 90.2 Ų | 90.2 | 60% | 0.598 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103 | 138.3 | 173.5 | -68 | 172.7 | -152.1 | 0 | 0 | 109.2 | K97 E98 E99 | K97-E114 IonicContact NZ-OE2 3.12Å; E98-E114 CarbonylContact O-C 3.41Å; E98-E114 WeakPolarHBondContact O-CA 3.41Å; E99-E114 HydrophobicContact CG-CG 4.42Å |
| 115 | K | 91.3 | Very high | 90.9 | Very high | 119 Ų | 119 | 91.4 Ų | 91.4 | 52% | 0.517 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 124.3 | 175.4 | -178 | -175.2 | 174.3 | -168.7 | 0 | 109.4 | K97 E98 I117 | K97-K115 CarbonylContact C-O 3.56Å; K97-K115 WeakPolarHBondContact CA-O 3.34Å; E98-K115 PolarHBondContact N-O 3.31Å; E98-K115 PolarHBondContact O-N 3.41Å; K115-I117 PolarHBondContact O-N 3.2Å |
| 116 | I | 93.5 | Very high | 91.4 | Very high | 88 Ų | 88 | 81.4 Ų | 81.4 | 45% | 0.451 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 116.9 | 173.4 | -57.1 | 173.5 | 0 | 0 | 0 | 108.1 | T95 K97 Q119 | T95-I116 HydrophobicContact CG2-CG2 4.13Å; K97-I116 HydrophobicContact CG-CG1 4.24Å; I116-Q119 HydrophobicContact CG2-CB 3.97Å |
| 117 | I | 92.2 | Very high | 91.8 | Very high | 88 Ų | 88 | 75.7 Ų | 75.7 | 45% | 0.451 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | -48.3 | 175.5 | -52.4 | 173.6 | 0 | 0 | 0 | 108.9 | L96 E98 K115 I182 | L96-I117 HydrophobicContact CB-CB 4.41Å; L96-I117 PolarHBondContact O-N 3.33Å; E98-I117 HydrophobicContact CB-CD1 3.75Å; E98-I117 HydrophobicContact CB-CG1 3.74Å; K115-I117 PolarHBondContact O-N 3.2Å; I117-I182 HydrophobicContact CD1-CD1 4.3Å; I117-I182 HydrophobicContact CD1-CG1 4.2Å; I117-I182 HydrophobicContact CD1-CG2 4.08Å |
| 118 | H | 94.6 | Very high | 92.1 | Very high | 104 Ų | 104 | 72.2 Ų | 72.2 | 48% | 0.481 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 139.4 | -177 | -172.5 | 68.2 | 0 | 0 | 0 | 109.9 | L96 | L96-H118 HydrophobicContact CB-CB 4.25Å; L96-H118 HydrophobicContact CD1-CB 4.25Å; L96-H118 PolarHBondContact N-O 3.02Å; L96-H118 PolarHBondContact O-N 2.77Å |
| 119 | Q | 94.9 | Very high | 92.4 | Very high | 90 Ų | 90 | 66.2 Ų | 66.2 | 42% | 0.421 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 125.5 | 173.1 | -174.8 | 179.4 | -20.4 | 0 | 0 | 109 | R93 L94 I116 | R93-Q119 HydrophobicContact CG-CG 4.14Å; L94-Q119 CarbonylContact O-C 3.49Å; L94-Q119 VanDerWaalsContact O-CA 3.31Å; L94-Q119 WeakPolarHBondContact O-CA 3.39Å; I116-Q119 HydrophobicContact CG2-CB 3.97Å |
| 120 | R | 95.3 | Very high | 92.6 | Very high | 132 Ų | 132 | 61.4 Ų | 61.4 | 50% | 0.498 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 131 | 175.5 | -179.4 | 179.1 | 175.4 | -175.6 | 0.3 | 108.5 | R93 L94 N122 | R93-R120 CarbonylContact C-O 3.6Å; R93-R120 WeakPolarHBondContact CA-O 3.44Å; L94-R120 PolarHBondContact N-O 3.34Å; L94-R120 PolarHBondContact O-N 2.89Å; R120-N122 PolarHBondContact NE-ND2 3.35Å; R120-N122 PolarHBondContact NE-OD1 2.77Å; R120-N122 PolarHBondContact NH2-OD1 3.28Å |
| 121 | T | 95.1 | Very high | 92.7 | Very high | 47 Ų | 47 | 61.9 Ų | 61.9 | 29% | 0.288 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 119.5 | 175 | -51.6 | 0 | 0 | 0 | 0 | 109.1 | I91 E92 R93 T123 L145 | I91-T121 HydrophobicContact CG2-CG2 4.26Å; E92-T121 CarbonylContact O-C 3.57Å; E92-T121 VanDerWaalsContact O-CA 3.3Å; E92-T121 WeakPolarHBondContact O-CA 3.46Å; R93-T121 HydrophobicContact CB-CG2 4.46Å; T121-T123 HydrophobicContact CG2-CG2 4.29Å; T121-L145 HydrophobicContact CG2-CD2 3.76Å |
| 122 | N | 95.1 | Very high | 92.5 | Very high | 35 Ų | 35 | 63.3 Ų | 63.3 | 19% | 0.187 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 140.2 | 174.4 | -58.4 | -43.6 | 0 | 0 | 0 | 108.5 | L79 I91 E92 R120 | L79-N122 HydrophobicContact CD1-CB 4.03Å; I91-N122 WeakPolarHBondContact CA-O 3.35Å; E92-N122 HydrophobicContact CB-CB 4.48Å; E92-N122 PolarHBondContact N-O 2.73Å; E92-N122 PolarHBondContact O-N 3.24Å; E92-N122 PolarHBondContact OE2-ND2 2.83Å; R120-N122 PolarHBondContact NE-ND2 3.35Å; R120-N122 PolarHBondContact NE-OD1 2.77Å; R120-N122 PolarHBondContact NH2-OD1 3.28Å |
| 123 | T | 94.1 | Very high | 91.9 | Very high | 63 Ų | 63 | 69 Ų | 69 | 39% | 0.387 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 136.8 | 179.4 | 63.3 | 0 | 0 | 0 | 0 | 110.4 | I91 T121 L145 | I91-T123 HydrophobicContact CG1-CG2 4.07Å; I91-T123 HydrophobicContact CG2-CG2 4.18Å; T121-T123 HydrophobicContact CG2-CG2 4.29Å; T123-L145 HydrophobicContact CG2-CD1 4.01Å; T123-L145 HydrophobicContact CG2-CD2 3.79Å; T123-L145 HydrophobicContact CG2-CG 3.97Å |
| 124 | V | 95.2 | Very high | 91.4 | Very high | 24 Ų | 24 | 74.2 Ų | 74.2 | 15% | 0.145 | 37% | 0.366 | C | S | . | . | trans | -112.4 | 154.2 | 170.3 | -68 | 0 | 0 | 0 | 0 | 110.5 | D77 L79 V90 F126 | D77-V124 WeakPolarHBondContact O-CG2 3.4Å; L79-V124 HydrophobicContact CD1-CG1 4.3Å; L79-V124 HydrophobicContact CD1-CG2 4.37Å; L79-V124 HydrophobicContact CD2-CG1 3.71Å; L79-V124 HydrophobicContact CG-CG1 3.77Å; L79-V124 HydrophobicContact CG-CG2 4.06Å; V90-V124 HydrophobicContact CB-CG2 4.05Å; V90-V124 HydrophobicContact CG1-CG2 4.39Å; V90-V124 VanDerWaalsContact O-CG2 3.3Å; V90-V124 WeakPolarHBondContact O-CG2 3.12Å; V90-V124 PolarHBondContact O-N 2.97Å; V124-F126 WeakPolarHBondContact O-CD1 3.45Å; V124-F126 PolarHBondContact O-N 2.81Å | ||
| 125 | P | 94.7 | Very high | 90.9 | Very high | 74 Ų | 74 | 69.1 Ų | 69.1 | 48% | 0.481 | 34% | 0.342 | S | S | . | . | trans | -63.6 | 127.3 | 176.6 | -21.7 | 33.5 | 0 | 0 | 0 | 112.3 | V75 | V75-P125 PolarHBondContact N-O 2.75Š| ||
| 126 | F | 95.1 | Very high | 90.3 | Very high | 2 Ų | 2 | 68.3 Ų | 68.3 | 1% | 0.009 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 165.5 | 178.4 | 68.9 | -85.2 | 0 | 0 | 0 | 112 | V72 R73 V90 I91 V124 L128 V141 P144 L189 L221 | V72-F126 HydrophobicContact CG1-CD2 4.05Å; V72-F126 HydrophobicContact CG1-CG 4.48Å; R73-F126 WeakPolarHBondContact O-CA 3.11Å; R73-F126 WeakPolarHBondContact O-CB 3.19Å; V90-F126 HydrophobicContact CB-CB 3.75Å; V90-F126 HydrophobicContact CB-CD1 3.74Å; V90-F126 HydrophobicContact CB-CG 3.83Å; V90-F126 HydrophobicContact CG1-CB 3.55Å; V90-F126 HydrophobicContact CG1-CD1 4.5Å; V90-F126 HydrophobicContact CG1-CG 4.11Å; V90-F126 HydrophobicContact CG2-CB 4.12Å; V90-F126 HydrophobicContact CG2-CD1 3.67Å; V90-F126 HydrophobicContact CG2-CD2 4.09Å; V90-F126 HydrophobicContact CG2-CE1 4.03Å; V90-F126 HydrophobicContact CG2-CE2 4.41Å; V90-F126 HydrophobicContact CG2-CG 3.7Å; V90-F126 HydrophobicContact CG2-CZ 4.39Å; I91-F126 HydrophobicContact CD1-CE1 3.93Å; I91-F126 HydrophobicContact CD1-CZ 4.17Å; I91-F126 HydrophobicContact CG1-CE1 4.1Å; V124-F126 WeakPolarHBondContact O-CD1 3.45Å; V124-F126 PolarHBondContact O-N 2.81Å; F126-L128 HydrophobicContact CE2-CD2 4.49Å; F126-V141 HydrophobicContact CD2-CB 4.26Å; F126-V141 HydrophobicContact CD2-CG2 4.06Å; F126-V141 HydrophobicContact CE1-CB 4.43Å; F126-V141 HydrophobicContact CE2-CB 3.74Å; F126-V141 HydrophobicContact CE2-CG1 4.12Å; F126-V141 HydrophobicContact CE2-CG2 3.56Å; F126-V141 HydrophobicContact CZ-CB 3.83Å; F126-V141 HydrophobicContact CZ-CG1 3.82Å; F126-V141 HydrophobicContact CZ-CG2 4.13Å; F126-V141 PolarHBondContact O-N 3.5Å; F126-P144 HydrophobicContact CE1-CB 3.96Å; F126-P144 HydrophobicContact CE1-CG 3.99Å; F126-P144 HydrophobicContact CZ-CB 4.04Å; F126-L189 HydrophobicContact CE2-CD2 4.25Å; F126-L189 HydrophobicContact CZ-CD2 4.17Å; F126-L221 HydrophobicContact CZ-CD2 3.92Å |
| 127 | A | 94.8 | Very high | 89.9 | Confident | 5 Ų | 5 | 64.5 Ų | 64.5 | 4% | 0.041 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 155.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | R73 V75 V139 | R73-A127 PolarHBondContact N-O 2.94Å; R73-A127 PolarHBondContact O-N 2.82Å; R73-A127 VanDerWaalsContact O-O 3.12Å; V75-A127 HydrophobicContact CG2-CB 4.09Å; A127-V139 CarbonylContact C-O 3.3Å; A127-V139 WeakPolarHBondContact CA-O 3.42Å; A127-V139 WeakPolarHBondContact CB-O 3.17Å |
| 128 | L | 94.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 123.4 | 168.8 | -56.5 | 178.3 | 0 | 0 | 0 | 107.9 | I47 I68 L71 V72 F126 T138 V139 V141 V195 | I47-L128 HydrophobicContact CD1-CB 3.91Å; I68-L128 HydrophobicContact CG2-CD1 4.44Å; L71-L128 CarbonylContact O-C 3.56Å; L71-L128 WeakPolarHBondContact O-CA 3.39Å; V72-L128 HydrophobicContact CG2-CD2 4.07Å; F126-L128 HydrophobicContact CE2-CD2 4.49Å; L128-T138 CarbonylContact O-C 3.44Å; L128-T138 WeakPolarHBondContact O-CA 3.23Å; L128-V139 HydrophobicContact CB-CB 4.41Å; L128-V139 PolarHBondContact N-O 2.83Å; L128-V139 PolarHBondContact O-N 2.75Å; L128-V141 HydrophobicContact CD1-CG2 4.15Å; L128-V141 HydrophobicContact CD2-CG2 4.37Å; L128-V141 HydrophobicContact CG-CG2 3.81Å; L128-V195 HydrophobicContact CD2-CB 4.09Å; L128-V195 HydrophobicContact CD2-CG1 4.44Å |
| 129 | G | 92.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 163.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | G70 L71 | G70-G129 CarbonylContact C-O 3.55Å; G70-G129 VanDerWaalsContact CA-O 3.3Å; G70-G129 WeakPolarHBondContact CA-O 3.38Å; L71-G129 PolarHBondContact N-O 2.96Å; L71-G129 PolarHBondContact O-N 2.88Å |
| 130 | S | 91.2 | Very high | 89.8 | Confident | 7 Ų | 7 | 58.4 Ų | 58.4 | 5% | 0.049 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 160 | 169.8 | -161.2 | 0 | 0 | 0 | 0 | 111.6 | I47 R73 | I47-S130 WeakPolarHBondContact O-CB 3.3Å; I47-S130 PolarHBondContact O-OG 3.45Å; R73-S130 PolarHBondContact NH2-O 2.8Å |
| 131 | Y | 86 | Confident | 89.8 | Confident | 112 Ų | 112 | 52.6 Ų | 52.6 | 44% | 0.439 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -66.8 | -30.4 | 170.6 | -64.7 | -81.1 | 0 | 0 | 0 | 111.4 | L71 | L71-Y131 HydrophobicContact CD1-CD1 3.97Å; L71-Y131 HydrophobicContact CD2-CD1 3.75Å; L71-Y131 HydrophobicContact CD2-CE1 3.59Å; L71-Y131 HydrophobicContact CG-CD1 3.7Å; L71-Y131 HydrophobicContact CG-CE1 3.9Å; L71-Y131 HydrophobicContact CG-CG 4.43Å |
| 132 | D | 84.5 | Confident | 89.7 | Confident | 100 Ų | 100 | 52.2 Ų | 52.2 | 54% | 0.535 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -84.2 | 125 | 177.6 | -66.1 | -28.1 | 0 | 0 | 0 | 110.9 | N134 I135 | D132-N134 PolarHBondContact O-N 3.37Å; D132-I135 HydrophobicContact CB-CD1 4.05Å; D132-I135 HydrophobicContact CB-CG1 4.19Å; D132-I135 PolarHBondContact O-N 2.62Å |
| 133 | E | 76.5 | Confident | 89.6 | Confident | 180 Ų | 180 | 57.1 Ų | 57.1 | 84% | 0.841 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -24 | 178.7 | -65.6 | -166.1 | 161.1 | 0 | 0 | 113.3 | I135 | E133-I135 PolarHBondContact O-N 3.19Š|
| 134 | N | 77.3 | Confident | 89.5 | Confident | 160 Ų | 160 | 54.9 Ų | 54.9 | 86% | 0.856 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -18.2 | 178.9 | -67.1 | -26.7 | 0 | 0 | 0 | 113.2 | D132 | D132-N134 PolarHBondContact O-N 3.37Š|
| 135 | I | 80.9 | Confident | 89.4 | Confident | 22 Ų | 22 | 58 Ų | 58 | 11% | 0.113 | 30% | 0.297 | C | S | . | . | trans | -95 | 110.7 | -179 | -58.3 | 174.9 | 0 | 0 | 0 | 108.8 | D132 E133 T137 | D132-I135 HydrophobicContact CB-CD1 4.05Å; D132-I135 HydrophobicContact CB-CG1 4.19Å; D132-I135 PolarHBondContact O-N 2.62Å; E133-I135 PolarHBondContact O-N 3.19Å; I135-T137 VanDerWaalsContact C-N 3.29Å | ||
| 136 | S | 79.1 | Confident | 89.3 | Confident | 102 Ų | 102 | 58.4 Ų | 58.4 | 71% | 0.713 | 30% | 0.295 | S | S | * | . | trans | -83 | -3 | 177.6 | 63.2 | 0 | 0 | 0 | 0 | 113.9 | T138 | S136-T138 PolarHBondContact O-N 2.71Š| ||
| 137 | T | 85.1 | Confident | 89.1 | Confident | 7 Ų | 7 | 59 Ų | 59 | 4% | 0.043 | 30% | 0.3 | C | S | . | . | trans | -63.9 | 124.9 | 175.5 | -49.9 | 0 | 0 | 0 | 0 | 109.8 | I47 D48 L51 I135 I208 | I47-T137 HydrophobicContact CG2-CG2 4.23Å; I47-T137 VanDerWaalsContact CG2-O 3.31Å; I47-T137 WeakPolarHBondContact CG2-O 3.31Å; D48-T137 PolarHBondContact O-OG1 2.66Å; L51-T137 HydrophobicContact CB-CG2 4.38Å; L51-T137 HydrophobicContact CD2-CG2 4.3Å; I135-T137 VanDerWaalsContact C-N 3.29Å; T137-I208 HydrophobicContact CG2-CD1 3.68Å | ||
| 138 | T | 90.6 | Very high | 88.8 | Confident | 58 Ų | 58 | 63.7 Ų | 63.7 | 36% | 0.356 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 146.5 | 177.4 | 54.7 | 0 | 0 | 0 | 0 | 110.4 | L128 S136 | L128-T138 CarbonylContact O-C 3.44Å; L128-T138 WeakPolarHBondContact O-CA 3.23Å; S136-T138 PolarHBondContact O-N 2.71Å |
| 139 | V | 94.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 109.5 | -179.4 | 178.7 | 0 | 0 | 0 | 0 | 108.6 | I47 L51 I68 A127 L128 V141 L201 I208 L210 | I47-V139 HydrophobicContact CD1-CG2 4.35Å; I47-V139 HydrophobicContact CG1-CG2 4.29Å; I47-V139 HydrophobicContact CG2-CG2 4.46Å; L51-V139 HydrophobicContact CD2-CG2 3.94Å; I68-V139 HydrophobicContact CD1-CG1 3.93Å; I68-V139 HydrophobicContact CD1-CG2 4.23Å; I68-V139 HydrophobicContact CG2-CG2 4.49Å; A127-V139 CarbonylContact C-O 3.3Å; A127-V139 WeakPolarHBondContact CA-O 3.42Å; A127-V139 WeakPolarHBondContact CB-O 3.17Å; L128-V139 HydrophobicContact CB-CB 4.41Å; L128-V139 PolarHBondContact N-O 2.83Å; L128-V139 PolarHBondContact O-N 2.75Å; V139-V141 PolarHBondContact O-N 2.64Å; V139-L201 HydrophobicContact CG1-CD1 3.9Å; V139-I208 HydrophobicContact CB-CG2 4.42Å; V139-I208 HydrophobicContact CG1-CG2 4.09Å; V139-I208 HydrophobicContact CG2-CB 4.35Å; V139-I208 HydrophobicContact CG2-CG2 3.95Å; V139-L210 HydrophobicContact CG1-CB 3.79Å |
| 140 | R | 94.3 | Very high | 88.3 | Confident | 97 Ų | 97 | 66.8 Ų | 66.8 | 37% | 0.366 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 127.9 | -178.2 | -172.1 | 166.7 | -178.8 | 169.5 | -1.6 | 111 | I208 K209 L210 | R140-I208 PolarHBondContact N-O 3.12Å; R140-K209 CarbonylContact O-C 3.55Å; R140-K209 WeakPolarHBondContact O-CA 3.15Å; R140-L210 PolarHBondContact O-N 3.3Å |
| 141 | V | 95.2 | Very high | 88.2 | Confident | 9 Ų | 9 | 69 Ų | 69 | 6% | 0.055 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 126.4 | 178.2 | -175.7 | 0 | 0 | 0 | 0 | 109.3 | F126 L128 V139 P144 Y219 L221 | F126-V141 HydrophobicContact CD2-CB 4.26Å; F126-V141 HydrophobicContact CD2-CG2 4.06Å; F126-V141 HydrophobicContact CE1-CB 4.43Å; F126-V141 HydrophobicContact CE2-CB 3.74Å; F126-V141 HydrophobicContact CE2-CG1 4.12Å; F126-V141 HydrophobicContact CE2-CG2 3.56Å; F126-V141 HydrophobicContact CZ-CB 3.83Å; F126-V141 HydrophobicContact CZ-CG1 3.82Å; F126-V141 HydrophobicContact CZ-CG2 4.13Å; F126-V141 PolarHBondContact O-N 3.5Å; L128-V141 HydrophobicContact CD1-CG2 4.15Å; L128-V141 HydrophobicContact CD2-CG2 4.37Å; L128-V141 HydrophobicContact CG-CG2 3.81Å; V139-V141 PolarHBondContact O-N 2.64Å; V141-P144 HydrophobicContact CG1-CB 4.22Å; V141-Y219 VanDerWaalsContact CG1-OH 3.22Å; V141-Y219 WeakPolarHBondContact CG1-OH 3.25Å; V141-L221 HydrophobicContact CG1-CD1 4.49Å; V141-L221 HydrophobicContact CG1-CD2 4.34Å |
| 142 | V | 94 | Very high | 88.5 | Confident | 40 Ų | 40 | 64.1 Ų | 64.1 | 24% | 0.242 | 34% | 0.336 | C | S | . | . | trans | -111.1 | 128.6 | -178.5 | 179.7 | 0 | 0 | 0 | 0 | 109.2 | K209 L210 Q211 | V142-K209 HydrophobicContact CG2-CB 4.08Å; V142-K209 HydrophobicContact CG2-CD 4.39Å; V142-K209 HydrophobicContact CG2-CG 4.3Å; V142-L210 PolarHBondContact N-O 3.03Å; V142-Q211 HydrophobicContact CB-CB 4.13Å; V142-Q211 HydrophobicContact CG1-CB 4.5Å | ||
| 143 | R | 93.1 | Very high | 88.9 | Confident | 138 Ų | 138 | 61.5 Ų | 61.5 | 52% | 0.521 | 32% | 0.32 | S | S | . | . | trans | 53.1 | 63.2 | -179.9 | -62.8 | -175.5 | -66.3 | 150.4 | -9.6 | 113.4 | L145 D146 P212 Y219 | R143-L145 PolarHBondContact O-N 3.45Å; R143-D146 HydrophobicContact CB-CB 4.39Å; R143-D146 VanDerWaalsContact CD-OD2 3.3Å; R143-D146 WeakPolarHBondContact CD-OD2 3.29Å; R143-D146 IonicContact CZ-OD2 3.79Å; R143-D146 IonicContact NE-OD2 2.82Å; R143-D146 IonicContact NH1-OD2 2.91Å; R143-D146 PolarHBondContact NH1-OD2 3.19Å; R143-D146 PolarHBondContact O-N 2.69Å; R143-P212 HydrophobicContact CB-CG 4.15Å; R143-Y219 WeakPolarHBondContact O-CE1 3.46Å | ||
| 144 | P | 92.7 | Very high | 89.8 | Confident | 16 Ų | 16 | 56.2 Ų | 56.2 | 10% | 0.104 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -63 | -24.7 | -177.5 | 28 | -36.9 | 0 | 0 | 0 | 113.9 | I91 F126 V141 D146 A147 L221 | I91-P144 HydrophobicContact CD1-CB 3.89Å; I91-P144 HydrophobicContact CD1-CG 4.23Å; F126-P144 HydrophobicContact CE1-CB 3.96Å; F126-P144 HydrophobicContact CE1-CG 3.99Å; F126-P144 HydrophobicContact CZ-CB 4.04Å; V141-P144 HydrophobicContact CG1-CB 4.22Å; P144-D146 VanDerWaalsContact C-N 3.31Å; P144-D146 PolarHBondContact O-N 3.28Å; P144-A147 WeakPolarHBondContact O-CB 3.27Å; P144-A147 PolarHBondContact O-N 2.98Å; P144-L221 HydrophobicContact CB-CD2 3.97Å |
| 145 | L | 92.3 | Very high | 90.5 | Very high | 89 Ų | 89 | 49.4 Ų | 49.4 | 47% | 0.466 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -75.8 | -17.3 | -179.6 | -59 | -179.4 | 0 | 0 | 0 | 113.8 | T121 T123 R143 A147 L150 | T121-L145 HydrophobicContact CG2-CD2 3.76Å; T123-L145 HydrophobicContact CG2-CD1 4.01Å; T123-L145 HydrophobicContact CG2-CD2 3.79Å; T123-L145 HydrophobicContact CG2-CG 3.97Å; R143-L145 PolarHBondContact O-N 3.45Å; L145-A147 PolarHBondContact O-N 2.86Å; L145-L150 HydrophobicContact CD2-CD2 4.08Å |
| 146 | D | 91.5 | Very high | 91.1 | Very high | 83 Ų | 83 | 51.3 Ų | 51.3 | 44% | 0.444 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -78.7 | -2.8 | 176.9 | -67.3 | -8.2 | 0 | 0 | 0 | 111.9 | R143 P144 P212 | R143-D146 HydrophobicContact CB-CB 4.39Å; R143-D146 VanDerWaalsContact CD-OD2 3.3Å; R143-D146 WeakPolarHBondContact CD-OD2 3.29Å; R143-D146 IonicContact CZ-OD2 3.79Å; R143-D146 IonicContact NE-OD2 2.82Å; R143-D146 IonicContact NH1-OD2 2.91Å; R143-D146 PolarHBondContact NH1-OD2 3.19Å; R143-D146 PolarHBondContact O-N 2.69Å; P144-D146 VanDerWaalsContact C-N 3.31Å; P144-D146 PolarHBondContact O-N 3.28Å; D146-P212 HydrophobicContact CB-CG 4.21Å |
| 147 | A | 91.9 | Very high | 91.8 | Very high | 13 Ų | 13 | 52 Ų | 52 | 11% | 0.107 | 26% | 0.263 | C | S | . | . | trans | -67.4 | 133 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | P144 L145 E149 Y219 L221 | P144-A147 WeakPolarHBondContact O-CB 3.27Å; P144-A147 PolarHBondContact O-N 2.98Å; L145-A147 PolarHBondContact O-N 2.86Å; A147-E149 PolarHBondContact O-N 2.89Å; A147-Y219 CarbonylContact C-O 3.57Å; A147-Y219 WeakPolarHBondContact CA-O 3.28Å; A147-Y219 HydrophobicContact CB-CD1 3.71Å; A147-Y219 HydrophobicContact CB-CE1 3.96Å; A147-Y219 HydrophobicContact CB-CG 4.5Å; A147-L221 HydrophobicContact CB-CB 3.94Å | ||
| 148 | V | 88.4 | Confident | 92.3 | Very high | 104 Ų | 104 | 54.4 Ų | 54.4 | 63% | 0.63 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -61.5 | -32.9 | 177 | 175 | 0 | 0 | 0 | 0 | 111.1 | C218 Y219 F220 | V148-C218 HydrophobicContact CG2-CB 4.09Å; V148-Y219 PolarHBondContact N-O 3.47Å; V148-F220 HydrophobicContact CB-CD1 4.5Å; V148-F220 HydrophobicContact CB-CE1 4.28Å; V148-F220 HydrophobicContact CG1-CE1 4.36Å |
| 149 | E | 85.8 | Confident | 92.4 | Very high | 37 Ų | 37 | 55.1 Ų | 55.1 | 17% | 0.173 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 105.6 | 179 | -163.1 | 166.4 | 174.2 | 0 | 0 | 107.8 | A147 F220 L221 K232 Q233 | A147-E149 PolarHBondContact O-N 2.89Å; E149-F220 HydrophobicContact CB-CD1 3.94Å; E149-F220 HydrophobicContact CB-CE1 4.49Å; E149-L221 CarbonylContact O-C 3.52Å; E149-L221 VanDerWaalsContact O-C 3.3Å; E149-L221 PolarHBondContact O-N 3.43Å; E149-K232 WeakPolarHBondContact OE1-CE 3.42Å; E149-K232 IonicContact OE1-NZ 2.64Å; E149-K232 PolarHBondContact OE1-NZ 3.35Å; E149-Q233 PolarHBondContact OE2-NE2 2.87Å |
| 150 | L | 89.9 | Confident | 92.2 | Very high | 28 Ų | 28 | 59 Ų | 59 | 15% | 0.147 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 104.3 | 173.6 | -179.7 | 64.4 | 0 | 0 | 0 | 108.6 | I91 L145 L152 L221 | I91-L150 HydrophobicContact CD1-CD1 4.09Å; I91-L150 HydrophobicContact CD1-CD2 4.24Å; L145-L150 HydrophobicContact CD2-CD2 4.08Å; L150-L152 HydrophobicContact CD1-CD2 4.27Å; L150-L152 HydrophobicContact CD2-CD2 4.26Å; L150-L152 HydrophobicContact CD2-CG 4.49Å; L150-L152 HydrophobicContact CG-CD2 4Å; L150-L152 HydrophobicContact CG-CG 4.21Å; L150-L221 WeakPolarHBondContact CA-O 3.38Å; L150-L221 HydrophobicContact CD1-CB 4.05Å; L150-L221 HydrophobicContact CD1-CD2 3.65Å; L150-L221 HydrophobicContact CD1-CG 4.12Å |
| 151 | D | 88.7 | Confident | 92 | Very high | 53 Ų | 53 | 58.7 Ų | 58.7 | 28% | 0.283 | 30% | 0.302 | S | S | . | . | trans | -90.9 | 118.2 | -179 | -161.4 | 11.1 | 0 | 0 | 0 | 109.7 | L221 R223 | D151-L221 PolarHBondContact N-O 2.84Å; D151-R223 HydrophobicContact CB-CB 4.47Å; D151-R223 HydrophobicContact CB-CG 4.32Å; D151-R223 WeakPolarHBondContact O-CD 3.45Å | ||
| 152 | L | 93.6 | Very high | 91.4 | Very high | 10 Ų | 10 | 60.7 Ų | 60.7 | 5% | 0.052 | 31% | 0.314 | C | S | . | . | trans | -116.2 | 146.7 | -179.4 | -59.4 | 179.6 | 0 | 0 | 0 | 109.1 | I91 R93 L150 E187 L189 | I91-L152 HydrophobicContact CB-CD2 4.16Å; I91-L152 HydrophobicContact CG2-CD1 4.14Å; I91-L152 HydrophobicContact CG2-CD2 3.88Å; R93-L152 HydrophobicContact CB-CD1 3.85Å; L150-L152 HydrophobicContact CD1-CD2 4.27Å; L150-L152 HydrophobicContact CD2-CD2 4.26Å; L150-L152 HydrophobicContact CD2-CG 4.49Å; L150-L152 HydrophobicContact CG-CD2 4Å; L150-L152 HydrophobicContact CG-CG 4.21Å; L152-E187 HydrophobicContact CB-CB 3.7Å; L152-E187 HydrophobicContact CD1-CB 4.05Å; L152-L189 HydrophobicContact CD2-CB 3.8Å | ||
| 153 | E | 92.8 | Very high | 90.5 | Very high | 46 Ų | 46 | 65 Ų | 65 | 22% | 0.215 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 129.3 | 173.5 | -165.6 | 176.9 | 153.2 | 0 | 0 | 110.4 | T155 E187 M188 R190 R223 | E153-T155 PolarHBondContact O-N 2.98Å; E153-E187 CarbonylContact O-C 3.57Å; E153-E187 WeakPolarHBondContact O-CA 3.27Å; E153-M188 WeakPolarHBondContact CB-O 3.39Å; E153-M188 PolarHBondContact N-O 3.18Å; E153-M188 PolarHBondContact O-N 3.06Å; E153-R190 VanDerWaalsContact CD-CZ 3.47Å; E153-R190 IonicContact OE1-CZ 2.73Å; E153-R190 IonicContact OE1-NH1 3.62Å; E153-R190 PolarHBondContact OE1-NH1 3.29Å; E153-R190 IonicContact OE1-NH2 3.79Å; E153-R190 PolarHBondContact OE1-NH2 3.45Å; E153-R190 IonicContact OE2-CZ 3.81Å; E153-R190 IonicContact OE2-NE 2.91Å; E153-R190 IonicContact OE2-NH1 2.76Å; E153-R190 PolarHBondContact OE2-NH1 3.39Å; E153-R223 VanDerWaalsContact CB-NH1 3.27Å; E153-R223 IonicContact OE2-CZ 3.27Å; E153-R223 IonicContact OE2-NH1 3.14Å; E153-R223 IonicContact OE2-NH2 3.03Å; E153-R223 PolarHBondContact OE2-NH2 3.35Å |
| 154 | T | 93.6 | Very high | 89 | Confident | 68 Ų | 68 | 64.7 Ų | 64.7 | 42% | 0.417 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 104.3 | 166.8 | -47.2 | 0 | 0 | 0 | 0 | 109.3 | E157 E186 | T154-E157 HydrophobicContact CG2-CB 4.12Å; T154-E186 CarbonylContact C-O 3.44Å |
| 155 | T | 92.1 | Very high | 87.5 | Confident | 18 Ų | 18 | 66.8 Ų | 66.8 | 11% | 0.11 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | -33.1 | -179.2 | 52.1 | 0 | 0 | 0 | 0 | 112 | E153 E186 M188 | E153-T155 PolarHBondContact O-N 2.98Å; T155-E186 PolarHBondContact N-O 2.75Å; T155-E186 WeakPolarHBondContact OG1-CG 3.32Å; T155-E186 PolarHBondContact OG1-O 3.44Å; T155-E186 VanDerWaalsContact OG1-O 3.1Å; T155-E186 PolarHBondContact OG1-OE2 3.26Å; T155-M188 HydrophobicContact CG2-CB 3.67Å; T155-M188 HydrophobicContact CG2-CG 3.78Å; T155-M188 HydrophobicContact CG2-SD 4.1Å |
| 156 | Y | 94.3 | Very high | 85.9 | Confident | 61 Ų | 61 | 69.9 Ų | 69.9 | 24% | 0.239 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 138.3 | 178.2 | 175.6 | -99.3 | 0 | 0 | 0 | 110.1 | F83 N158 E184 M185 E186 | F83-Y156 HydrophobicContact CB-CD1 3.83Å; F83-Y156 HydrophobicContact CB-CD2 3.6Å; F83-Y156 HydrophobicContact CB-CE1 4.25Å; F83-Y156 HydrophobicContact CB-CE2 4.04Å; F83-Y156 HydrophobicContact CB-CG 3.47Å; F83-Y156 VanDerWaalsContact CB-CG 3.47Å; F83-Y156 AromaticContact CD1-CD1 3.83Å; F83-Y156 HydrophobicContact CD1-CD1 3.83Å; F83-Y156 AromaticContact CD1-CE1 3.56Å; F83-Y156 HydrophobicContact CD1-CE1 3.56Å; F83-Y156 HydrophobicContact CD1-CE2 4.38Å; F83-Y156 HydrophobicContact CD1-CG 4.33Å; F83-Y156 AromaticContact CD1-CZ 3.84Å; F83-Y156 AromaticContact CD2-CD1 3.54Å; F83-Y156 HydrophobicContact CD2-CD1 3.54Å; F83-Y156 HydrophobicContact CD2-CE1 4.12Å; F83-Y156 AromaticContact CD2-CG 3.93Å; F83-Y156 HydrophobicContact CD2-CG 3.93Å; F83-Y156 HydrophobicContact CE1-CD1 4.24Å; F83-Y156 AromaticContact CE1-CE1 3.82Å; F83-Y156 HydrophobicContact CE1-CE1 3.82Å; F83-Y156 AromaticContact CE2-CD1 3.98Å; F83-Y156 HydrophobicContact CE2-CD1 3.98Å; F83-Y156 HydrophobicContact CE2-CE1 4.35Å; F83-Y156 AromaticContact CG-CD1 3.45Å; F83-Y156 HydrophobicContact CG-CD1 3.45Å; F83-Y156 VanDerWaalsContact CG-CD1 3.45Å; F83-Y156 HydrophobicContact CG-CD2 4.15Å; F83-Y156 AromaticContact CG-CE1 3.72Å; F83-Y156 HydrophobicContact CG-CE1 3.72Å; F83-Y156 HydrophobicContact CG-CE2 4.37Å; F83-Y156 AromaticContact CG-CG 3.67Å; F83-Y156 HydrophobicContact CG-CG 3.67Å; F83-Y156 HydrophobicContact CZ-CD1 4.3Å; F83-Y156 HydrophobicContact CZ-CE1 4.21Å; Y156-N158 HydrophobicContact CE1-CB 3.62Å; Y156-N158 HydrophobicContact CE2-CB 4.28Å; Y156-N158 VanDerWaalsContact CZ-CB 3.44Å; Y156-N158 WeakPolarHBondContact OH-CB 3.47Å; Y156-N158 PolarHBondContact OH-ND2 2.89Å; Y156-E184 HydrophobicContact CE1-CG 4.34Å; Y156-M185 WeakPolarHBondContact O-CA 3.31Å; Y156-E186 PolarHBondContact N-O 3.44Å; Y156-E186 PolarHBondContact O-N 3.38Å |
| 157 | E | 94.5 | Very high | 84.5 | Confident | 117 Ų | 117 | 74 Ų | 74 | 55% | 0.547 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 127.7 | 171.9 | 179.3 | 170.8 | -167.6 | 0 | 0 | 108.9 | T154 H183 M185 | T154-E157 HydrophobicContact CG2-CB 4.12Å; E157-H183 IonicContact OE1-ND1 3.88Å; E157-M185 HydrophobicContact CG-CG 4.14Å; E157-M185 HydrophobicContact CG-SD 4.39Å |
| 158 | N | 94.3 | Very high | 83 | Confident | 58 Ų | 58 | 76 Ų | 76 | 31% | 0.31 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 141.8 | 174.9 | -170.2 | 18.6 | 0 | 0 | 0 | 110.9 | Y156 H160 E184 | Y156-N158 HydrophobicContact CE1-CB 3.62Å; Y156-N158 HydrophobicContact CE2-CB 4.28Å; Y156-N158 VanDerWaalsContact CZ-CB 3.44Å; Y156-N158 WeakPolarHBondContact OH-CB 3.47Å; Y156-N158 PolarHBondContact OH-ND2 2.89Å; N158-H160 PolarHBondContact ND2-CE1 3.4Å; N158-H160 VanDerWaalsContact ND2-CE1 3.32Å; N158-E184 PolarHBondContact N-O 3.46Å; N158-E184 PolarHBondContact O-N 3.24Å |
| 159 | F | 92.8 | Very high | 81.7 | Confident | 72 Ų | 72 | 75.3 Ų | 75.3 | 32% | 0.316 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 118.1 | 178.3 | -179.8 | -111.7 | 0 | 0 | 0 | 110.2 | E99 P161 K180 H183 | E99-F159 HydrophobicContact CB-CE2 4.41Å; F159-P161 HydrophobicContact CD1-CB 4.42Å; F159-P161 HydrophobicContact CE1-CB 3.99Å; F159-P161 WeakPolarHBondContact O-CD 3.34Å; F159-K180 HydrophobicContact CZ-CB 4.2Å; F159-H183 AromaticContact CD2-CD2 3.17Å; F159-H183 WeakPolarHBondContact CD2-CD2 3.36Å; F159-H183 AromaticContact CD2-CE1 3.58Å; F159-H183 AromaticContact CD2-CG 3.65Å; F159-H183 AromaticContact CD2-ND1 3.88Å; F159-H183 AromaticContact CD2-NE2 3.12Å; F159-H183 WeakPolarHBondContact CD2-NE2 3.35Å; F159-H183 AromaticContact CE2-CD2 3.42Å; F159-H183 VanDerWaalsContact CE2-CD2 3.42Å; F159-H183 WeakPolarHBondContact CE2-CD2 3.49Å; F159-H183 AromaticContact CE2-NE2 3.4Å; F159-H183 WeakPolarHBondContact CE2-NE2 2.99Å; F159-H183 AromaticContact CG-NE2 3.95Å |
| 160 | H | 90.9 | Very high | 80.7 | Confident | 82 Ų | 82 | 79 Ų | 79 | 38% | 0.38 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 99.9 | 176.6 | -61.4 | -76.9 | 0 | 0 | 0 | 109.4 | N158 G181 I182 E184 | N158-H160 PolarHBondContact ND2-CE1 3.4Å; N158-H160 VanDerWaalsContact ND2-CE1 3.32Å; H160-G181 CarbonylContact O-C 3.58Å; H160-G181 WeakPolarHBondContact O-CA 3.44Å; H160-I182 PolarHBondContact N-O 3.37Å; H160-I182 PolarHBondContact O-N 2.99Å; H160-E184 IonicContact CD2-OE2 3.53Å; H160-E184 IonicContact CE1-OE2 2.71Å; H160-E184 IonicContact NE2-OE2 3.36Å; H160-E184 PolarHBondContact NE2-OE2 3.02Å |
| 161 | P | 89.4 | Confident | 79.4 | Confident | 90 Ų | 90 | 80.6 Ų | 80.6 | 58% | 0.584 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 141.2 | -177.9 | 28.4 | -35.1 | 0 | 0 | 0 | 111.1 | F159 V163 | F159-P161 HydrophobicContact CD1-CB 4.42Å; F159-P161 HydrophobicContact CE1-CB 3.99Å; F159-P161 WeakPolarHBondContact O-CD 3.34Å; P161-V163 PolarHBondContact O-N 3.48Å |
| 162 | T | 83.6 | Confident | 78.2 | Confident | 51 Ų | 51 | 79.6 Ų | 79.6 | 31% | 0.313 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 119.6 | 174.7 | -50.1 | 0 | 0 | 0 | 0 | 109.9 | Q164 K180 G181 | T162-Q164 PolarHBondContact O-N 3.03Å; T162-K180 PolarHBondContact N-O 3.2Å; T162-G181 WeakPolarHBondContact OG1-CA 3.48Å; T162-G181 PolarHBondContact OG1-N 2.86Å |
| 163 | V | 73.6 | Confident | 76.9 | Confident | 130 Ų | 130 | 87.1 Ų | 87.1 | 79% | 0.788 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 124.1 | 176.6 | -166.4 | 0 | 0 | 0 | 0 | 109.4 | P161 S165 | P161-V163 PolarHBondContact O-N 3.48Å; V163-S165 PolarHBondContact O-N 3.28Å |
| 164 | Q | 61.3 | Low | 75.7 | Confident | 132 Ų | 132 | 91.7 Ų | 91.7 | 62% | 0.617 | 47% | 0.473 | S | S | * | . | trans | -80.3 | 103.8 | -175.8 | -65.8 | -178.5 | 5.6 | 0 | 0 | 110.2 | T162 | T162-Q164 PolarHBondContact O-N 3.03Š| ||
| 165 | S | 63 | Low | 74.7 | Confident | 60 Ų | 60 | 92.2 Ų | 92.2 | 42% | 0.42 | 48% | 0.48 | S | S | . | . | trans | -83.6 | 149 | 166.4 | -179.9 | 0 | 0 | 0 | 0 | 110.8 | V163 F167 N168 L169 | V163-S165 PolarHBondContact O-N 3.28Å; S165-F167 PolarHBondContact O-N 3.42Å; S165-F167 VanDerWaalsContact O-N 3.12Å; S165-N168 WeakPolarHBondContact O-CA 3.4Å; S165-N168 WeakPolarHBondContact O-CB 3.44Å; S165-N168 PolarHBondContact O-N 3.15Å; S165-L169 PolarHBondContact O-N 2.92Å | ||
| 166 | M | 57.8 | Low | 74 | Confident | 155 Ų | 155 | 92.3 Ų | 92.3 | 76% | 0.764 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -54.4 | -30.6 | 178.6 | -67.4 | -77.3 | -75.4 | 0 | 0 | 113 | ||
| 167 | F | 62.9 | Low | 73.5 | Confident | 169 Ų | 169 | 93.3 Ų | 93.3 | 74% | 0.741 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -73.2 | -28.4 | 174.6 | -79.8 | -87.2 | 0 | 0 | 0 | 113.5 | S165 L169 I170 S171 | S165-F167 PolarHBondContact O-N 3.42Å; S165-F167 VanDerWaalsContact O-N 3.12Å; F167-L169 VanDerWaalsContact C-N 3.34Å; F167-I170 PolarHBondContact O-N 2.98Å; F167-S171 PolarHBondContact O-N 3.21Å |
| 168 | N | 60.5 | Low | 73 | Confident | 55 Ų | 55 | 92.8 Ų | 92.8 | 29% | 0.294 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.4 | -34.1 | 177.7 | -69.4 | -12.4 | 0 | 0 | 0 | 111.1 | S165 I170 S171 H172 | S165-N168 WeakPolarHBondContact O-CA 3.4Å; S165-N168 WeakPolarHBondContact O-CB 3.44Å; S165-N168 PolarHBondContact O-N 3.15Å; N168-I170 VanDerWaalsContact C-N 3.3Å; N168-I170 PolarHBondContact O-N 3.49Å; N168-S171 PolarHBondContact O-N 2.91Å; N168-H172 PolarHBondContact O-CD2 2.95Å; N168-H172 PolarHBondContact O-N 3.5Å; N168-H172 PolarHBondContact O-NE2 3.15Å |
| 169 | L | 60.9 | Low | 72.4 | Confident | 90 Ų | 90 | 91.7 Ų | 91.7 | 47% | 0.471 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -55.4 | -41.4 | 176.1 | -93.7 | 138.3 | 0 | 0 | 0 | 113 | S165 F167 F173 | S165-L169 PolarHBondContact O-N 2.92Å; F167-L169 VanDerWaalsContact C-N 3.34Å; L169-F173 WeakPolarHBondContact O-CD2 3.48Å |
| 170 | I | 63.1 | Low | 72.1 | Confident | 114 Ų | 114 | 91.4 Ų | 91.4 | 59% | 0.585 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -80.6 | -39.4 | -177.8 | -57.4 | 172.5 | 0 | 0 | 0 | 111 | F167 N168 H172 F173 I174 | F167-I170 PolarHBondContact O-N 2.98Å; N168-I170 VanDerWaalsContact C-N 3.3Å; N168-I170 PolarHBondContact O-N 3.49Å; I170-H172 VanDerWaalsContact C-N 3.3Å; I170-H172 PolarHBondContact O-N 3.02Å; I170-F173 PolarHBondContact O-N 3.42Å; I170-I174 HydrophobicContact CG2-CD1 4.23Å |
| 171 | S | 62.8 | Low | 72.1 | Confident | 62 Ų | 62 | 87.5 Ų | 87.5 | 43% | 0.434 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -57.4 | -39.8 | 178.9 | -179.2 | 0 | 0 | 0 | 0 | 112.8 | F167 N168 F173 I174 S175 | F167-S171 PolarHBondContact O-N 3.21Å; N168-S171 PolarHBondContact O-N 2.91Å; S171-F173 PolarHBondContact O-N 2.96Å; S171-I174 PolarHBondContact O-N 3.4Å; S171-S175 WeakPolarHBondContact O-CB 3.38Å; S171-S175 PolarHBondContact O-N 3.49Å |
| 172 | H | 64.1 | Low | 72.2 | Confident | 32 Ų | 32 | 86.5 Ų | 86.5 | 15% | 0.148 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -66.7 | -33.1 | -178 | -61.6 | -41.5 | 0 | 0 | 0 | 114 | N168 I170 I174 G176 E177 R178 | N168-H172 PolarHBondContact O-CD2 2.95Å; N168-H172 PolarHBondContact O-N 3.5Å; N168-H172 PolarHBondContact O-NE2 3.15Å; I170-H172 VanDerWaalsContact C-N 3.3Å; I170-H172 PolarHBondContact O-N 3.02Å; H172-I174 VanDerWaalsContact C-N 3.32Å; H172-G176 WeakPolarHBondContact O-CA 3.26Å; H172-G176 PolarHBondContact O-N 3.3Å; H172-E177 PolarHBondContact ND1-O 3.15Å; H172-R178 HydrophobicContact CB-CB 4.23Å; H172-R178 WeakPolarHBondContact ND1-CA 3.39Å |
| 173 | F | 65.4 | Low | 72.7 | Confident | 167 Ų | 167 | 86 Ų | 86 | 73% | 0.732 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -70.6 | -30.2 | 175.9 | -75.5 | -76.3 | 0 | 0 | 0 | 112.4 | L169 I170 S171 | L169-F173 WeakPolarHBondContact O-CD2 3.48Å; I170-F173 PolarHBondContact O-N 3.42Å; S171-F173 PolarHBondContact O-N 2.96Å |
| 174 | I | 68.8 | Low | 73.8 | Confident | 142 Ų | 142 | 82 Ų | 82 | 73% | 0.728 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -81.8 | -44.7 | 179 | -59.9 | 171 | 0 | 0 | 0 | 110.4 | I170 S171 H172 | I170-I174 HydrophobicContact CG2-CD1 4.23Å; S171-I174 PolarHBondContact O-N 3.4Å; H172-I174 VanDerWaalsContact C-N 3.32Å |
| 175 | S | 71.4 | Confident | 75.4 | Confident | 79 Ų | 79 | 76.7 Ų | 76.7 | 55% | 0.552 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -80.1 | -22.2 | -176.4 | -166.1 | 0 | 0 | 0 | 0 | 113.7 | S171 E177 | S171-S175 WeakPolarHBondContact O-CB 3.38Å; S171-S175 PolarHBondContact O-N 3.49Å; S175-E177 PolarHBondContact O-N 3Å |
| 176 | G | 79.2 | Confident | 76.9 | Confident | 20 Ų | 20 | 73.8 Ų | 73.8 | 21% | 0.206 | 37% | 0.373 | C | S | . | . | S | Bend | trans | 69.7 | 9.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | W103 H172 | W103-G176 PolarHBondContact N-O 2.95Å; H172-G176 WeakPolarHBondContact O-CA 3.26Å; H172-G176 PolarHBondContact O-N 3.3Å |
| 177 | E | 83.3 | Confident | 78.7 | Confident | 82 Ų | 82 | 68.2 Ų | 68.2 | 38% | 0.383 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 137.7 | 177.5 | -58 | -163.6 | 165 | 0 | 0 | 110.1 | K100 M101 V102 H172 S175 | K100-E177 IonicContact NZ-OE1 3.93Å; K100-E177 PolarHBondContact NZ-OE1 2.9Å; K100-E177 IonicContact NZ-OE2 3.77Å; K100-E177 PolarHBondContact NZ-OE2 2.87Å; M101-E177 CarbonylContact O-C 3.57Å; M101-E177 WeakPolarHBondContact O-CA 3.47Å; V102-E177 HydrophobicContact CG2-CG 4.4Å; H172-E177 PolarHBondContact ND1-O 3.15Å; S175-E177 PolarHBondContact O-N 3Å |
| 178 | R | 83 | Confident | 80.3 | Confident | 106 Ų | 106 | 60.2 Ų | 60.2 | 40% | 0.4 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 112.3 | 178.1 | 177 | -177.8 | -176.5 | -176.9 | 4 | 110.8 | K100 M101 W110 H172 K180 | K100-R178 CarbonylContact C-O 3.55Å; K100-R178 WeakPolarHBondContact CA-O 3.32Å; M101-R178 HydrophobicContact CB-CB 4.25Å; M101-R178 PolarHBondContact N-O 3.42Å; M101-R178 PolarHBondContact O-N 3.13Å; W110-R178 HydrophobicContact CZ3-CB 4.19Å; H172-R178 HydrophobicContact CB-CB 4.23Å; H172-R178 WeakPolarHBondContact ND1-CA 3.39Å; R178-K180 PolarHBondContact O-N 3.45Å |
| 179 | S | 82.6 | Confident | 81.9 | Confident | 36 Ų | 36 | 57.7 Ų | 57.7 | 25% | 0.252 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 128 | 173.4 | 55.9 | 0 | 0 | 0 | 0 | 110.4 | ||
| 180 | K | 86.4 | Confident | 83.5 | Confident | 65 Ų | 65 | 56.7 Ų | 56.7 | 28% | 0.283 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | -42.5 | 172.5 | -72.9 | 173.3 | 154.5 | 177.8 | 0 | 111.5 | E99 M101 C112 F159 T162 R178 | E99-K180 HydrophobicContact CB-CB 4.35Å; E99-K180 HydrophobicContact CB-CD 4.46Å; E99-K180 HydrophobicContact CG-CD 3.83Å; E99-K180 WeakPolarHBondContact O-CB 3.42Å; E99-K180 PolarHBondContact O-N 3.05Å; E99-K180 WeakPolarHBondContact OE1-CD 3.33Å; E99-K180 IonicContact OE1-NZ 3.24Å; E99-K180 PolarHBondContact OE1-NZ 3.45Å; E99-K180 WeakPolarHBondContact OE2-CD 3.39Å; M101-K180 HydrophobicContact CG-CD 4.08Å; M101-K180 HydrophobicContact CG-CG 4.07Å; M101-K180 HydrophobicContact SD-CD 4.35Å; M101-K180 WeakPolarHBondContact SD-CE 3.42Å; C112-K180 PolarHBondContact SG-NZ 2.93Å; F159-K180 HydrophobicContact CZ-CB 4.2Å; T162-K180 PolarHBondContact N-O 3.2Å; R178-K180 PolarHBondContact O-N 3.45Å |
| 181 | G | 90.3 | Very high | 85 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 166.5 | -175.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E99 H160 T162 | E99-G181 PolarHBondContact N-O 2.87Å; E99-G181 PolarHBondContact O-N 2.84Å; H160-G181 CarbonylContact O-C 3.58Å; H160-G181 WeakPolarHBondContact O-CA 3.44Å; T162-G181 WeakPolarHBondContact OG1-CA 3.48Å; T162-G181 PolarHBondContact OG1-N 2.86Å |
| 182 | I | 92.9 | Very high | 86.4 | Confident | 69 Ų | 69 | 53 Ų | 53 | 35% | 0.354 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 121 | 178.5 | -57.7 | 173.2 | 0 | 0 | 0 | 107.7 | K97 I117 H160 | K97-I182 CarbonylContact O-C 3.51Å; K97-I182 WeakPolarHBondContact O-CA 3.45Å; I117-I182 HydrophobicContact CD1-CD1 4.3Å; I117-I182 HydrophobicContact CD1-CG1 4.2Å; I117-I182 HydrophobicContact CD1-CG2 4.08Å; H160-I182 PolarHBondContact N-O 3.37Å; H160-I182 PolarHBondContact O-N 2.99Å |
| 183 | H | 94.1 | Very high | 87.8 | Confident | 39 Ų | 39 | 52.7 Ų | 52.7 | 18% | 0.181 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 122.5 | 166.7 | -81 | -96 | 0 | 0 | 0 | 109.3 | L96 K97 E99 E157 F159 M185 | L96-H183 CarbonylContact C-O 3.59Å; L96-H183 WeakPolarHBondContact CA-O 3.46Å; K97-H183 HydrophobicContact CB-CB 4.24Å; K97-H183 PolarHBondContact N-O 2.94Å; K97-H183 PolarHBondContact O-N 3.26Å; E99-H183 IonicContact OE2-NE2 2.71Å; E157-H183 IonicContact OE1-ND1 3.88Å; F159-H183 AromaticContact CD2-CD2 3.17Å; F159-H183 WeakPolarHBondContact CD2-CD2 3.36Å; F159-H183 AromaticContact CD2-CE1 3.58Å; F159-H183 AromaticContact CD2-CG 3.65Å; F159-H183 AromaticContact CD2-ND1 3.88Å; F159-H183 AromaticContact CD2-NE2 3.12Å; F159-H183 WeakPolarHBondContact CD2-NE2 3.35Å; F159-H183 AromaticContact CE2-CD2 3.42Å; F159-H183 VanDerWaalsContact CE2-CD2 3.42Å; F159-H183 WeakPolarHBondContact CE2-CD2 3.49Å; F159-H183 AromaticContact CE2-NE2 3.4Å; F159-H183 WeakPolarHBondContact CE2-NE2 2.99Å; F159-H183 AromaticContact CG-NE2 3.95Å; H183-M185 HydrophobicContact CB-CG 4.47Å |
| 184 | E | 95 | Very high | 89.1 | Confident | 47 Ų | 47 | 47.2 Ų | 47.2 | 22% | 0.22 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 118.5 | 171.7 | 178.1 | 168.2 | -131.2 | 0 | 0 | 108.4 | F83 L96 Y156 N158 H160 | F83-E184 HydrophobicContact CE1-CG 4.47Å; F83-E184 HydrophobicContact CZ-CG 3.94Å; F83-E184 WeakPolarHBondContact CZ-OE1 3.31Å; L96-E184 HydrophobicContact CD2-CB 3.68Å; L96-E184 HydrophobicContact CD2-CG 3.63Å; Y156-E184 HydrophobicContact CE1-CG 4.34Å; N158-E184 PolarHBondContact N-O 3.46Å; N158-E184 PolarHBondContact O-N 3.24Å; H160-E184 IonicContact CD2-OE2 3.53Å; H160-E184 IonicContact CE1-OE2 2.71Å; H160-E184 IonicContact NE2-OE2 3.36Å; H160-E184 PolarHBondContact NE2-OE2 3.02Å |
| 185 | M | 95.1 | Very high | 90.4 | Very high | 20 Ų | 20 | 40.5 Ų | 40.5 | 10% | 0.099 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 137.3 | -176 | -45.7 | -170 | -43.8 | 0 | 0 | 110.4 | T95 K97 Y156 E157 H183 | T95-M185 PolarHBondContact N-O 2.95Å; T95-M185 PolarHBondContact O-N 3.3Å; K97-M185 HydrophobicContact CD-CE 4.24Å; Y156-M185 WeakPolarHBondContact O-CA 3.31Å; E157-M185 HydrophobicContact CG-CG 4.14Å; E157-M185 HydrophobicContact CG-SD 4.39Å; H183-M185 HydrophobicContact CB-CG 4.47Å |
| 186 | E | 95.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 124.1 | 169.4 | -172.5 | -172.7 | -130.2 | 0 | 0 | 108.4 | S81 Q82 F83 E92 R93 L94 T154 T155 Y156 M188 | S81-E186 VanDerWaalsContact CA-OE1 3.26Å; S81-E186 WeakPolarHBondContact CA-OE1 3.46Å; S81-E186 WeakPolarHBondContact CB-OE2 3.34Å; S81-E186 VanDerWaalsContact OG-CD 3.25Å; S81-E186 PolarHBondContact OG-OE1 3.03Å; S81-E186 PolarHBondContact OG-OE2 2.76Å; Q82-E186 PolarHBondContact N-OE1 2.84Å; F83-E186 HydrophobicContact CD2-CB 3.85Å; F83-E186 HydrophobicContact CD2-CG 4.32Å; F83-E186 HydrophobicContact CE2-CB 4.06Å; E92-E186 HydrophobicContact CG-CG 4.37Å; R93-E186 WeakPolarHBondContact O-CA 3.5Å; L94-E186 HydrophobicContact CD2-CB 4.03Å; L94-E186 HydrophobicContact CD2-CG 3.75Å; T154-E186 CarbonylContact C-O 3.44Å; T155-E186 PolarHBondContact N-O 2.75Å; T155-E186 WeakPolarHBondContact OG1-CG 3.32Å; T155-E186 PolarHBondContact OG1-O 3.44Å; T155-E186 VanDerWaalsContact OG1-O 3.1Å; T155-E186 PolarHBondContact OG1-OE2 3.26Å; Y156-E186 PolarHBondContact N-O 3.44Å; Y156-E186 PolarHBondContact O-N 3.38Å; E186-M188 HydrophobicContact CG-CG 4.07Å; E186-M188 HydrophobicContact CG-SD 4.48Å |
| 187 | E | 95.8 | Very high | 92.2 | Very high | 38 Ų | 38 | 36 Ų | 36 | 18% | 0.178 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 131.5 | 173.2 | -52.9 | 178.5 | 124.4 | 0 | 0 | 109.1 | E92 R93 L152 E153 | E92-E187 CarbonylContact C-O 3.52Å; R93-E187 HydrophobicContact CB-CB 4.36Å; R93-E187 VanDerWaalsContact CD-OE2 3.29Å; R93-E187 WeakPolarHBondContact CD-OE2 3.4Å; R93-E187 IonicContact CZ-OE2 3.74Å; R93-E187 PolarHBondContact N-O 3.33Å; R93-E187 IonicContact NE-OE2 2.62Å; R93-E187 IonicContact NH1-OE2 3.67Å; R93-E187 PolarHBondContact NH1-OE2 3.38Å; R93-E187 PolarHBondContact O-N 3.44Å; L152-E187 HydrophobicContact CB-CB 3.7Å; L152-E187 HydrophobicContact CD1-CB 4.05Å; E153-E187 CarbonylContact O-C 3.57Å; E153-E187 WeakPolarHBondContact O-CA 3.27Å |
| 188 | M | 95.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 149.2 | 179.2 | -55.5 | -175.3 | 80.7 | 0 | 0 | 112.7 | L79 I91 E92 E153 T155 E186 | L79-M188 HydrophobicContact CB-CE 4.24Å; I91-M188 CarbonylContact O-C 3.58Å; I91-M188 WeakPolarHBondContact O-CA 3.49Å; I91-M188 WeakPolarHBondContact O-CB 3.45Å; E92-M188 HydrophobicContact CB-CE 4.04Å; E92-M188 HydrophobicContact CB-CG 4.36Å; E92-M188 HydrophobicContact CG-CE 4.17Å; E92-M188 HydrophobicContact CG-CG 4.22Å; E153-M188 WeakPolarHBondContact CB-O 3.39Å; E153-M188 PolarHBondContact N-O 3.18Å; E153-M188 PolarHBondContact O-N 3.06Å; T155-M188 HydrophobicContact CG2-CB 3.67Å; T155-M188 HydrophobicContact CG2-CG 3.78Å; T155-M188 HydrophobicContact CG2-SD 4.1Å; E186-M188 HydrophobicContact CG-CG 4.07Å; E186-M188 HydrophobicContact CG-SD 4.48Å |
| 189 | L | 95.7 | Very high | 93.3 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 108.7 | 161.2 | -176.4 | 60.6 | 0 | 0 | 0 | 108.3 | V72 G89 V90 I91 F126 L152 D193 V195 R223 | V72-L189 HydrophobicContact CG2-CD1 4.26Å; V72-L189 HydrophobicContact CG2-CD2 4Å; V72-L189 HydrophobicContact CG2-CG 4.08Å; G89-L189 CarbonylContact C-O 3.56Å; G89-L189 WeakPolarHBondContact CA-O 3.47Å; V90-L189 HydrophobicContact CG2-CB 4Å; V90-L189 HydrophobicContact CG2-CD2 3.76Å; V90-L189 HydrophobicContact CG2-CG 3.87Å; V90-L189 PolarHBondContact N-O 2.82Å; I91-L189 HydrophobicContact CB-CB 4.01Å; I91-L189 HydrophobicContact CD1-CB 4.49Å; I91-L189 HydrophobicContact CD1-CD2 4.07Å; I91-L189 HydrophobicContact CG1-CB 4.46Å; I91-L189 PolarHBondContact O-N 3.32Å; F126-L189 HydrophobicContact CE2-CD2 4.25Å; F126-L189 HydrophobicContact CZ-CD2 4.17Å; L152-L189 HydrophobicContact CD2-CB 3.8Å; L189-D193 HydrophobicContact CD1-CB 4.21Å; L189-V195 HydrophobicContact CD1-CG2 3.65Å; L189-V195 HydrophobicContact CD2-CG2 4.29Å; L189-V195 HydrophobicContact CG-CG2 4.49Å; L189-R223 HydrophobicContact CD1-CG 4.19Å |
| 190 | R | 94.6 | Very high | 93.8 | Very high | 69 Ų | 69 | 26.2 Ų | 26.2 | 26% | 0.26 | 14% | 0.143 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 153.5 | -173 | -66 | -179.1 | 175.9 | 156.7 | 3 | 112.3 | V72 C87 K88 E153 D193 | V72-R190 WeakPolarHBondContact CB-O 3.34Å; C87-R190 PolarHBondContact SG-NE 3.2Å; K88-R190 WeakPolarHBondContact O-CA 3.4Å; E153-R190 VanDerWaalsContact CD-CZ 3.47Å; E153-R190 IonicContact OE1-CZ 2.73Å; E153-R190 IonicContact OE1-NH1 3.62Å; E153-R190 PolarHBondContact OE1-NH1 3.29Å; E153-R190 IonicContact OE1-NH2 3.79Å; E153-R190 PolarHBondContact OE1-NH2 3.45Å; E153-R190 IonicContact OE2-CZ 3.81Å; E153-R190 IonicContact OE2-NE 2.91Å; E153-R190 IonicContact OE2-NH1 2.76Å; E153-R190 PolarHBondContact OE2-NH1 3.39Å; R190-D193 PolarHBondContact O-N 3.44Å |
| 191 | V | 93.7 | Very high | 94.2 | Very high | 56 Ų | 56 | 23.1 Ų | 23.1 | 34% | 0.339 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | 132 | 168.4 | -178.2 | 0 | 0 | 0 | 0 | 108.2 | T78 K88 V90 | T78-V191 HydrophobicContact CG2-CG2 3.91Å; K88-V191 PolarHBondContact O-N 2.91Å; V90-V191 HydrophobicContact CG1-CG2 4.02Å |
| 192 | G | 92 | Very high | 94.3 | Very high | 44 Ų | 44 | 24.3 Ų | 24.3 | 45% | 0.454 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.4 | -3.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L71 V72 | L71-G192 WeakPolarHBondContact CD2-O 3.4Å; V72-G192 PolarHBondContact O-N 3.33Å |
| 193 | D | 93.7 | Very high | 94.3 | Very high | 25 Ų | 25 | 21.9 Ų | 21.9 | 13% | 0.134 | 12% | 0.124 | C | C | . | . | trans | -70 | 140.1 | 173.5 | -87 | 10.6 | 0 | 0 | 0 | 111.4 | L71 V72 L189 R190 R223 | L71-D193 WeakPolarHBondContact CA-O 3.5Å; V72-D193 WeakPolarHBondContact CG2-O 3.39Å; V72-D193 PolarHBondContact N-O 2.89Å; L189-D193 HydrophobicContact CD1-CB 4.21Å; R190-D193 PolarHBondContact O-N 3.44Å; D193-R223 IonicContact OD1-NH2 3.2Å; D193-R223 IonicContact OD2-CZ 3.03Å; D193-R223 VanDerWaalsContact OD2-CZ 3.24Å; D193-R223 IonicContact OD2-NE 2.7Å; D193-R223 PolarHBondContact OD2-NE 3.21Å; D193-R223 IonicContact OD2-NH2 3.58Å; D193-R223 PolarHBondContact OD2-NH2 3.47Å | ||
| 194 | S | 93.4 | Very high | 94 | Very high | 51 Ų | 51 | 22.9 Ų | 22.9 | 36% | 0.357 | 13% | 0.131 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 123.7 | 170 | -57.1 | 0 | 0 | 0 | 0 | 110.2 | ||
| 195 | V | 94.6 | Very high | 93.5 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.012 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 135.9 | -179.6 | 175.3 | 0 | 0 | 0 | 0 | 110.4 | E69 G70 V72 L128 L189 L221 T222 R223 | E69-V195 WeakPolarHBondContact CA-O 3.47Å; G70-V195 PolarHBondContact N-O 3.49Å; G70-V195 PolarHBondContact O-N 2.85Å; V72-V195 HydrophobicContact CG2-CB 4.15Å; V72-V195 HydrophobicContact CG2-CG2 3.46Å; V72-V195 VanDerWaalsContact CG2-CG2 3.46Å; L128-V195 HydrophobicContact CD2-CB 4.09Å; L128-V195 HydrophobicContact CD2-CG1 4.44Å; L189-V195 HydrophobicContact CD1-CG2 3.65Å; L189-V195 HydrophobicContact CD2-CG2 4.29Å; L189-V195 HydrophobicContact CG-CG2 4.49Å; V195-L221 HydrophobicContact CG1-CD1 3.39Å; V195-L221 HydrophobicContact CG1-CG 3.78Å; V195-T222 CarbonylContact C-O 3.56Å; V195-T222 WeakPolarHBondContact CA-O 3.38Å; V195-R223 HydrophobicContact CG2-CG 4.49Å |
| 196 | T | 94.9 | Very high | 93 | Very high | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.018 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 112.4 | 168.8 | -52.5 | 0 | 0 | 0 | 0 | 109.1 | V67 I68 E69 V198 T222 Q224 | V67-T196 HydrophobicContact CG1-CG2 3.74Å; I68-T196 CarbonylContact O-C 3.56Å; I68-T196 WeakPolarHBondContact O-CA 3.23Å; E69-T196 HydrophobicContact CG-CG2 3.96Å; T196-V198 HydrophobicContact CG2-CG2 4.35Å; T196-T222 PolarHBondContact N-O 2.96Å; T196-T222 PolarHBondContact O-N 2.84Å; T196-Q224 VanDerWaalsContact CB-O 3.3Å; T196-Q224 WeakPolarHBondContact CB-O 3.44Å; T196-Q224 PolarHBondContact OG1-O 3.3Å |
| 197 | G | 94.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 132.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111 | I68 F220 | I68-G197 PolarHBondContact N-O 2.91Å; I68-G197 PolarHBondContact O-N 3.42Å; G197-F220 WeakPolarHBondContact CA-O 3.27Å |
| 198 | V | 95.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 123.5 | 174.5 | -171 | 0 | 0 | 0 | 0 | 109.4 | L39 Y65 A66 V67 T196 Y219 F220 L229 | L39-V198 HydrophobicContact CD1-CB 4.48Å; L39-V198 HydrophobicContact CD1-CG1 3.87Å; L39-V198 HydrophobicContact CD1-CG2 4.03Å; Y65-V198 HydrophobicContact CD2-CG1 4.45Å; Y65-V198 HydrophobicContact CE1-CG1 3.98Å; Y65-V198 HydrophobicContact CE2-CG1 3.74Å; Y65-V198 VanDerWaalsContact CZ-CG1 3.47Å; A66-V198 WeakPolarHBondContact O-CA 3.44Å; V67-V198 HydrophobicContact CB-CG2 4.47Å; V67-V198 HydrophobicContact CG1-CG2 4.22Å; V67-V198 HydrophobicContact CG2-CG1 4.03Å; V67-V198 HydrophobicContact CG2-CG2 3.99Å; T196-V198 HydrophobicContact CG2-CG2 4.35Å; V198-Y219 WeakPolarHBondContact O-CD2 3.5Å; V198-F220 HydrophobicContact CB-CB 4.04Å; V198-F220 HydrophobicContact CB-CD2 4.06Å; V198-F220 HydrophobicContact CG1-CD2 4.4Å; V198-F220 HydrophobicContact CG2-CB 4.17Å; V198-F220 PolarHBondContact N-O 2.96Å; V198-F220 PolarHBondContact O-N 3.45Å; V198-L229 HydrophobicContact CG2-CD2 3.99Å |
| 199 | G | 94.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.1 | -163.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y65 A66 | Y65-G199 WeakPolarHBondContact CA-O 3.25Å; A66-G199 PolarHBondContact N-O 2.94Å; A66-G199 PolarHBondContact O-N 3.33Å; A66-G199 VanDerWaalsContact O-N 3.1Å |
| 200 | E | 93.6 | Very high | 92.5 | Very high | 19 Ų | 19 | 37 Ų | 37 | 9% | 0.089 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 129.7 | 175.4 | -178.4 | -178.4 | -160.2 | 0 | 0 | 109.5 | P64 V202 L210 Q211 P213 | P64-E200 WeakPolarHBondContact O-CA 3.48Å; E200-V202 HydrophobicContact CG-CG2 3.85Å; E200-L210 WeakPolarHBondContact O-CA 3.3Å; E200-Q211 HydrophobicContact CB-CG 3.98Å; E200-Q211 VanDerWaalsContact CD-NE2 3.32Å; E200-Q211 HydrophobicContact CG-CG 4.29Å; E200-Q211 PolarHBondContact N-O 3.45Å; E200-Q211 PolarHBondContact O-N 3.42Å; E200-Q211 PolarHBondContact OE2-NE2 3.35Å; E200-P213 HydrophobicContact CB-CB 4.22Å |
| 201 | L | 93.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 120.8 | 177.7 | -167.6 | 63.1 | 0 | 0 | 0 | 109.4 | I45 L51 L55 C62 I63 A66 I68 V139 I208 K209 | I45-L201 HydrophobicContact CD1-CD2 4.41Å; L51-L201 HydrophobicContact CD1-CD2 4.14Å; L55-L201 HydrophobicContact CD1-CD2 3.89Å; L55-L201 HydrophobicContact CD1-CG 4.05Å; L55-L201 HydrophobicContact CD2-CD2 3.97Å; L55-L201 HydrophobicContact CD2-CG 4.09Å; L55-L201 HydrophobicContact CG-CD2 4.27Å; C62-L201 CarbonylContact C-O 3.55Å; C62-L201 VanDerWaalsContact CA-O 3.25Å; C62-L201 WeakPolarHBondContact CA-O 3.37Å; I63-L201 HydrophobicContact CB-CB 4.32Å; I63-L201 PolarHBondContact N-O 3.22Å; I63-L201 PolarHBondContact O-N 3.46Å; A66-L201 HydrophobicContact CB-CB 4.23Å; I68-L201 HydrophobicContact CD1-CD1 3.34Å; I68-L201 HydrophobicContact CD1-CD2 3.75Å; I68-L201 HydrophobicContact CD1-CG 4.1Å; V139-L201 HydrophobicContact CG1-CD1 3.9Å; L201-I208 HydrophobicContact CD1-CG2 3.35Å; L201-I208 HydrophobicContact CD2-CG2 4.36Å; L201-I208 HydrophobicContact CG-CG2 3.89Å; L201-K209 WeakPolarHBondContact CA-O 3.41Å |
| 202 | V | 93.4 | Very high | 92.5 | Very high | 27 Ų | 27 | 33.7 Ų | 33.7 | 16% | 0.164 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 134.5 | -177.5 | -176.6 | 0 | 0 | 0 | 0 | 110.1 | C62 E200 K209 Q211 | C62-V202 HydrophobicContact CB-CG2 4.07Å; E200-V202 HydrophobicContact CG-CG2 3.85Å; V202-K209 PolarHBondContact N-O 3.33Å; V202-K209 PolarHBondContact O-N 3.43Å; V202-Q211 HydrophobicContact CG2-CG 4.31Å |
| 203 | L | 92.3 | Very high | 92.4 | Very high | 17 Ų | 17 | 32.5 Ų | 32.5 | 9% | 0.089 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 109.2 | 169 | -179 | 67.6 | 0 | 0 | 0 | 109.5 | L55 R61 I208 | L55-L203 HydrophobicContact CB-CB 3.97Å; L55-L203 HydrophobicContact CB-CD2 4.09Å; L55-L203 HydrophobicContact CD1-CB 4.17Å; R61-L203 HydrophobicContact CB-CB 4.34Å; R61-L203 PolarHBondContact O-N 2.99Å; L203-I208 HydrophobicContact CD1-CG1 3.81Å |
| 204 | D | 89.3 | Confident | 91.7 | Very high | 61 Ų | 61 | 39.9 Ų | 39.9 | 33% | 0.326 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 117.8 | -179.1 | 179.1 | 26.5 | 0 | 0 | 0 | 110.3 | D206 L207 K209 | D204-D206 VanDerWaalsContact C-N 3.34Å; D204-D206 PolarHBondContact O-N 2.87Å; D204-L207 PolarHBondContact N-O 3.01Å; D204-L207 WeakPolarHBondContact O-CB 3.32Å; D204-L207 PolarHBondContact O-N 3.48Å; D204-K209 HydrophobicContact CB-CD 4.26Å; D204-K209 IonicContact OD2-NZ 2.63Å; D204-K209 PolarHBondContact OD2-NZ 2.85Å |
| 205 | N | 84 | Confident | 90.8 | Very high | 138 Ų | 138 | 43.3 Ų | 43.3 | 74% | 0.738 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.6 | 52.4 | -179.1 | -59.2 | -46.3 | 0 | 0 | 0 | 113 | L207 | N205-L207 PolarHBondContact O-N 3.22Š|
| 206 | D | 84.6 | Confident | 90 | Very high | 123 Ų | 123 | 49.3 Ų | 49.3 | 66% | 0.658 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | 3.5 | -176.2 | -65.5 | -34.3 | 0 | 0 | 0 | 116.7 | D204 | D204-D206 VanDerWaalsContact C-N 3.34Å; D204-D206 PolarHBondContact O-N 2.87Å |
| 207 | L | 89.8 | Confident | 89.6 | Confident | 88 Ų | 88 | 51.3 Ų | 51.3 | 46% | 0.461 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 123.5 | 173.8 | -64.2 | 170.8 | 0 | 0 | 0 | 110 | D204 N205 | D204-L207 PolarHBondContact N-O 3.01Å; D204-L207 WeakPolarHBondContact O-CB 3.32Å; D204-L207 PolarHBondContact O-N 3.48Å; N205-L207 PolarHBondContact O-N 3.22Å |
| 208 | I | 93.2 | Very high | 89.4 | Confident | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.015 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 125.7 | 174.2 | -55.1 | 165.5 | 0 | 0 | 0 | 107.8 | L51 K52 L55 T137 V139 R140 L201 L203 | L51-I208 HydrophobicContact CB-CD1 4.44Å; L51-I208 HydrophobicContact CD2-CD1 3.76Å; L51-I208 HydrophobicContact CG-CD1 3.84Å; K52-I208 HydrophobicContact CG-CD1 3.91Å; K52-I208 HydrophobicContact CG-CG1 4.49Å; L55-I208 HydrophobicContact CD1-CB 4.47Å; L55-I208 HydrophobicContact CD1-CD1 4.26Å; L55-I208 HydrophobicContact CD1-CG1 3.96Å; L55-I208 HydrophobicContact CD1-CG2 3.75Å; T137-I208 HydrophobicContact CG2-CD1 3.68Å; V139-I208 HydrophobicContact CB-CG2 4.42Å; V139-I208 HydrophobicContact CG1-CG2 4.09Å; V139-I208 HydrophobicContact CG2-CB 4.35Å; V139-I208 HydrophobicContact CG2-CG2 3.95Å; R140-I208 PolarHBondContact N-O 3.12Å; L201-I208 HydrophobicContact CD1-CG2 3.35Å; L201-I208 HydrophobicContact CD2-CG2 4.36Å; L201-I208 HydrophobicContact CG-CG2 3.89Å; L203-I208 HydrophobicContact CD1-CG1 3.81Å |
| 209 | K | 93.9 | Very high | 89.3 | Confident | 51 Ų | 51 | 53.1 Ų | 53.1 | 22% | 0.222 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 129.1 | -178.8 | -64.2 | 175.9 | -176.1 | 175.2 | 0 | 109.9 | R140 V142 L201 V202 D204 | R140-K209 CarbonylContact O-C 3.55Å; R140-K209 WeakPolarHBondContact O-CA 3.15Å; V142-K209 HydrophobicContact CG2-CB 4.08Å; V142-K209 HydrophobicContact CG2-CD 4.39Å; V142-K209 HydrophobicContact CG2-CG 4.3Å; L201-K209 WeakPolarHBondContact CA-O 3.41Å; V202-K209 PolarHBondContact N-O 3.33Å; V202-K209 PolarHBondContact O-N 3.43Å; D204-K209 HydrophobicContact CB-CD 4.26Å; D204-K209 IonicContact OD2-NZ 2.63Å; D204-K209 PolarHBondContact OD2-NZ 2.85Å |
| 210 | L | 94.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 114.6 | 166.5 | -179.2 | 69.9 | 0 | 0 | 0 | 108 | V139 R140 V142 E200 Y219 | V139-L210 HydrophobicContact CG1-CB 3.79Å; R140-L210 PolarHBondContact O-N 3.3Å; V142-L210 PolarHBondContact N-O 3.03Å; E200-L210 WeakPolarHBondContact O-CA 3.3Å; L210-Y219 HydrophobicContact CD2-CE2 4.31Å; L210-Y219 HydrophobicContact CG-CE2 4.11Å |
| 211 | Q | 94.4 | Very high | 89.3 | Confident | 40 Ų | 40 | 52.4 Ų | 52.4 | 19% | 0.187 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 162.3 | -174.1 | 71.1 | -177.4 | 16.8 | 0 | 0 | 112.3 | V142 E200 V202 | V142-Q211 HydrophobicContact CB-CB 4.13Å; V142-Q211 HydrophobicContact CG1-CB 4.5Å; E200-Q211 HydrophobicContact CB-CG 3.98Å; E200-Q211 VanDerWaalsContact CD-NE2 3.32Å; E200-Q211 HydrophobicContact CG-CG 4.29Å; E200-Q211 PolarHBondContact N-O 3.45Å; E200-Q211 PolarHBondContact O-N 3.42Å; E200-Q211 PolarHBondContact OE2-NE2 3.35Å; V202-Q211 HydrophobicContact CG2-CG 4.31Å |
| 212 | P | 93.4 | Very high | 89.4 | Confident | 16 Ų | 16 | 52.4 Ų | 52.4 | 10% | 0.104 | 27% | 0.266 | C | S | . | . | trans | -61.5 | 130.6 | 174 | -20.9 | 34.1 | 0 | 0 | 0 | 109.4 | R143 D146 Y219 | R143-P212 HydrophobicContact CB-CG 4.15Å; D146-P212 HydrophobicContact CB-CG 4.21Å; P212-Y219 HydrophobicContact CB-CD1 4.43Å; P212-Y219 HydrophobicContact CB-CG 4.3Å; P212-Y219 HydrophobicContact CG-CD1 4.11Å; P212-Y219 HydrophobicContact CG-CE1 4.36Å; P212-Y219 HydrophobicContact CG-CG 4.41Å | ||
| 213 | P | 90.4 | Very high | 89.4 | Confident | 18 Ų | 18 | 54.7 Ų | 54.7 | 12% | 0.117 | 27% | 0.272 | C | S | . | . | trans | -65.9 | 143.1 | -176.8 | 27.2 | -32.7 | 0 | 0 | 0 | 111.1 | E200 Q215 F217 | E200-P213 HydrophobicContact CB-CB 4.22Å; P213-Q215 VanDerWaalsContact C-N 3.31Å; P213-F217 HydrophobicContact CB-CB 3.94Å; P213-F217 HydrophobicContact CB-CD2 4.15Å; P213-F217 HydrophobicContact CG-CB 3.57Å; P213-F217 WeakPolarHBondContact CG-O 3.32Å | ||
| 214 | K | 79.4 | Confident | 89.4 | Confident | 181 Ų | 181 | 57 Ų | 57 | 79% | 0.787 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -74.3 | -21.2 | 177.4 | -65 | 177.2 | -176.1 | 171.4 | 0 | 113.8 | ||
| 215 | Q | 73.4 | Confident | 89.5 | Confident | 122 Ų | 122 | 58.7 Ų | 58.7 | 57% | 0.57 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -86.8 | 171.4 | 176.7 | -62.8 | -177.8 | 8.6 | 0 | 0 | 110 | P213 F217 | P213-Q215 VanDerWaalsContact C-N 3.31Å; Q215-F217 HydrophobicContact CB-CD2 3.63Å; Q215-F217 HydrophobicContact CB-CE2 3.65Å; Q215-F217 HydrophobicContact CB-CG 4.37Å; Q215-F217 HydrophobicContact CB-CZ 4.39Å; Q215-F217 HydrophobicContact CG-CE2 4.25Å; Q215-F217 PolarHBondContact O-N 2.86Å; Q215-F217 VanDerWaalsContact OE1-CZ 3.31Å |
| 216 | D | 78.3 | Confident | 89.9 | Confident | 129 Ų | 129 | 53 Ų | 53 | 69% | 0.69 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -69.8 | 45.4 | 178.9 | -169.2 | 34.9 | 0 | 0 | 0 | 112.9 | K34 | K34-D216 IonicContact NZ-OD2 3.05Å; K34-D216 PolarHBondContact NZ-OD2 3.48Å |
| 217 | F | 86.8 | Confident | 90.3 | Very high | 44 Ų | 44 | 52.5 Ų | 52.5 | 19% | 0.193 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -102.6 | 151 | 175.7 | -62.1 | -46.9 | 0 | 0 | 0 | 109.7 | H38 Y65 P213 Q215 | H38-F217 HydrophobicContact CB-CD1 3.98Å; H38-F217 HydrophobicContact CB-CE1 4.03Å; H38-F217 AromaticContact CD2-CD1 3.65Å; H38-F217 AromaticContact CD2-CE1 3.56Å; H38-F217 AromaticContact CE1-CE1 3.71Å; H38-F217 AromaticContact CG-CD1 3.73Å; H38-F217 AromaticContact CG-CE1 3.47Å; H38-F217 VanDerWaalsContact CG-CE1 3.47Å; H38-F217 AromaticContact ND1-CE1 3.57Å; H38-F217 AromaticContact NE2-CE1 3.73Å; Y65-F217 HydrophobicContact CD2-CB 3.83Å; Y65-F217 HydrophobicContact CD2-CD2 4.05Å; Y65-F217 AromaticContact CD2-CG 3.96Å; Y65-F217 HydrophobicContact CD2-CG 3.96Å; Y65-F217 HydrophobicContact CE2-CB 3.69Å; Y65-F217 HydrophobicContact CE2-CG 4.22Å; Y65-F217 HydrophobicContact CG-CD2 4.31Å; Y65-F217 HydrophobicContact CG-CG 4.35Å; P213-F217 HydrophobicContact CB-CB 3.94Å; P213-F217 HydrophobicContact CB-CD2 4.15Å; P213-F217 HydrophobicContact CG-CB 3.57Å; P213-F217 WeakPolarHBondContact CG-O 3.32Å; Q215-F217 HydrophobicContact CB-CD2 3.63Å; Q215-F217 HydrophobicContact CB-CE2 3.65Å; Q215-F217 HydrophobicContact CB-CG 4.37Å; Q215-F217 HydrophobicContact CB-CZ 4.39Å; Q215-F217 HydrophobicContact CG-CE2 4.25Å; Q215-F217 PolarHBondContact O-N 2.86Å; Q215-F217 VanDerWaalsContact OE1-CZ 3.31Å |
| 218 | C | 89.1 | Confident | 90.4 | Very high | 32 Ų | 32 | 50.5 Ų | 50.5 | 22% | 0.216 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -87.7 | 137.5 | 179.1 | -61.1 | 0 | 0 | 0 | 0 | 110.3 | T35 Y65 V148 F220 | T35-C218 HydrophobicContact CG2-CB 4.26Å; Y65-C218 WeakPolarHBondContact CE2-O 3.46Å; Y65-C218 PolarHBondContact OH-O 2.86Å; V148-C218 HydrophobicContact CG2-CB 4.09Å; C218-F220 HydrophobicContact CB-CD2 4.12Å; C218-F220 HydrophobicContact CB-CE1 4.24Å; C218-F220 HydrophobicContact CB-CE2 3.32Å; C218-F220 HydrophobicContact CB-CZ 3.39Å |
| 219 | Y | 93.8 | Very high | 90.3 | Very high | 7 Ų | 7 | 50.3 Ų | 50.3 | 3% | 0.027 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -90 | 127.8 | 170.9 | -174.7 | -129.2 | 0 | 0 | 0 | 109.4 | V141 R143 A147 V148 V198 L210 P212 | V141-Y219 VanDerWaalsContact CG1-OH 3.22Å; V141-Y219 WeakPolarHBondContact CG1-OH 3.25Å; R143-Y219 WeakPolarHBondContact O-CE1 3.46Å; A147-Y219 CarbonylContact C-O 3.57Å; A147-Y219 WeakPolarHBondContact CA-O 3.28Å; A147-Y219 HydrophobicContact CB-CD1 3.71Å; A147-Y219 HydrophobicContact CB-CE1 3.96Å; A147-Y219 HydrophobicContact CB-CG 4.5Å; V148-Y219 PolarHBondContact N-O 3.47Å; V198-Y219 WeakPolarHBondContact O-CD2 3.5Å; L210-Y219 HydrophobicContact CD2-CE2 4.31Å; L210-Y219 HydrophobicContact CG-CE2 4.11Å; P212-Y219 HydrophobicContact CB-CD1 4.43Å; P212-Y219 HydrophobicContact CB-CG 4.3Å; P212-Y219 HydrophobicContact CG-CD1 4.11Å; P212-Y219 HydrophobicContact CG-CE1 4.36Å; P212-Y219 HydrophobicContact CG-CG 4.41Å |
| 220 | F | 94.2 | Very high | 90.2 | Very high | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.009 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 140.7 | -179.1 | -61 | -81.5 | 0 | 0 | 0 | 111.3 | T35 V148 E149 G197 V198 C218 L229 | T35-F220 HydrophobicContact CG2-CE2 4.1Å; T35-F220 HydrophobicContact CG2-CZ 3.71Å; V148-F220 HydrophobicContact CB-CD1 4.5Å; V148-F220 HydrophobicContact CB-CE1 4.28Å; V148-F220 HydrophobicContact CG1-CE1 4.36Å; E149-F220 HydrophobicContact CB-CD1 3.94Å; E149-F220 HydrophobicContact CB-CE1 4.49Å; G197-F220 WeakPolarHBondContact CA-O 3.27Å; V198-F220 HydrophobicContact CB-CB 4.04Å; V198-F220 HydrophobicContact CB-CD2 4.06Å; V198-F220 HydrophobicContact CG1-CD2 4.4Å; V198-F220 HydrophobicContact CG2-CB 4.17Å; V198-F220 PolarHBondContact N-O 2.96Å; V198-F220 PolarHBondContact O-N 3.45Å; C218-F220 HydrophobicContact CB-CD2 4.12Å; C218-F220 HydrophobicContact CB-CE1 4.24Å; C218-F220 HydrophobicContact CB-CE2 3.32Å; C218-F220 HydrophobicContact CB-CZ 3.39Å; F220-L229 HydrophobicContact CB-CD2 4.26Å; F220-L229 HydrophobicContact CD1-CD1 4.45Å; F220-L229 HydrophobicContact CG-CD2 4.38Å |
| 221 | L | 94.3 | Very high | 90 | Very high | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 92 | 172.7 | -165.8 | 70.4 | 0 | 0 | 0 | 109.5 | F126 V141 P144 A147 E149 L150 D151 V195 | F126-L221 HydrophobicContact CZ-CD2 3.92Å; V141-L221 HydrophobicContact CG1-CD1 4.49Å; V141-L221 HydrophobicContact CG1-CD2 4.34Å; P144-L221 HydrophobicContact CB-CD2 3.97Å; A147-L221 HydrophobicContact CB-CB 3.94Å; E149-L221 CarbonylContact O-C 3.52Å; E149-L221 VanDerWaalsContact O-C 3.3Å; E149-L221 PolarHBondContact O-N 3.43Å; L150-L221 WeakPolarHBondContact CA-O 3.38Å; L150-L221 HydrophobicContact CD1-CB 4.05Å; L150-L221 HydrophobicContact CD1-CD2 3.65Å; L150-L221 HydrophobicContact CD1-CG 4.12Å; D151-L221 PolarHBondContact N-O 2.84Å; V195-L221 HydrophobicContact CG1-CD1 3.39Å; V195-L221 HydrophobicContact CG1-CG 3.78Å |
| 222 | T | 94.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 150.2 | -173.1 | -177.8 | 0 | 0 | 0 | 0 | 111.8 | V195 T196 Q224 L229 | V195-T222 CarbonylContact C-O 3.56Å; V195-T222 WeakPolarHBondContact CA-O 3.38Å; T196-T222 PolarHBondContact N-O 2.96Å; T196-T222 PolarHBondContact O-N 2.84Å; T222-Q224 HydrophobicContact CG2-CB 4.29Å; T222-Q224 PolarHBondContact O-N 3.03Å; T222-Q224 PolarHBondContact OG1-N 3.41Å; T222-L229 HydrophobicContact CG2-CB 4.38Å; T222-L229 HydrophobicContact CG2-CD1 4.15Å; T222-L229 HydrophobicContact CG2-CD2 4.01Å; T222-L229 HydrophobicContact CG2-CG 4.4Å |
| 223 | R | 93.4 | Very high | 89.7 | Confident | 75 Ų | 75 | 59.4 Ų | 59.4 | 28% | 0.283 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -77.4 | -6.9 | 171.6 | -61.8 | 174.1 | 74.7 | -146 | 7 | 112.5 | D151 E153 L189 D193 V195 | D151-R223 HydrophobicContact CB-CB 4.47Å; D151-R223 HydrophobicContact CB-CG 4.32Å; D151-R223 WeakPolarHBondContact O-CD 3.45Å; E153-R223 VanDerWaalsContact CB-NH1 3.27Å; E153-R223 IonicContact OE2-CZ 3.27Å; E153-R223 IonicContact OE2-NH1 3.14Å; E153-R223 IonicContact OE2-NH2 3.03Å; E153-R223 PolarHBondContact OE2-NH2 3.35Å; L189-R223 HydrophobicContact CD1-CG 4.19Å; D193-R223 IonicContact OD1-NH2 3.2Å; D193-R223 IonicContact OD2-CZ 3.03Å; D193-R223 VanDerWaalsContact OD2-CZ 3.24Å; D193-R223 IonicContact OD2-NE 2.7Å; D193-R223 PolarHBondContact OD2-NE 3.21Å; D193-R223 IonicContact OD2-NH2 3.58Å; D193-R223 PolarHBondContact OD2-NH2 3.47Å; V195-R223 HydrophobicContact CG2-CG 4.49Å |
| 224 | Q | 91.7 | Very high | 89.6 | Confident | 65 Ų | 65 | 62.2 Ų | 62.2 | 30% | 0.304 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -84.4 | 150.5 | 179.2 | -57 | -176 | 16.8 | 0 | 0 | 111.6 | T196 T222 | T196-Q224 VanDerWaalsContact CB-O 3.3Å; T196-Q224 WeakPolarHBondContact CB-O 3.44Å; T196-Q224 PolarHBondContact OG1-O 3.3Å; T222-Q224 HydrophobicContact CG2-CB 4.29Å; T222-Q224 PolarHBondContact O-N 3.03Å; T222-Q224 PolarHBondContact OG1-N 3.41Å |
| 225 | N | 91.9 | Very high | 90 | Very high | 96 Ų | 96 | 56 Ų | 56 | 51% | 0.513 | 27% | 0.271 | S | S | . | . | trans | -62.7 | 154.8 | 173.7 | -61.6 | -15.6 | 0 | 0 | 0 | 111.6 | E227 S228 L229 | N225-E227 VanDerWaalsContact C-N 3.27Å; N225-E227 PolarHBondContact O-N 3.41Å; N225-S228 WeakPolarHBondContact O-CB 3.38Å; N225-S228 PolarHBondContact O-N 2.92Å; N225-L229 PolarHBondContact O-N 2.95Å | ||
| 226 | Y | 91.8 | Very high | 90.7 | Very high | 19 Ų | 19 | 51.1 Ų | 51.1 | 8% | 0.075 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -50.5 | -44.5 | 177.2 | 169.9 | -109.7 | 0 | 0 | 0 | 113.5 | L39 K44 V67 E69 S228 L229 L230 | L39-Y226 HydrophobicContact CD1-CE2 4.01Å; L39-Y226 HydrophobicContact CG-CE2 4.03Å; L39-Y226 PolarHBondContact O-OH 2.76Å; K44-Y226 HydrophobicContact CD-CD1 4.47Å; V67-Y226 HydrophobicContact CB-CD2 4.27Å; V67-Y226 HydrophobicContact CG1-CD2 3.65Å; V67-Y226 HydrophobicContact CG1-CE2 4.4Å; V67-Y226 HydrophobicContact CG1-CG 4.06Å; V67-Y226 HydrophobicContact CG2-CD2 3.8Å; V67-Y226 HydrophobicContact CG2-CE2 3.72Å; E69-Y226 WeakPolarHBondContact OE1-CB 3.43Å; E69-Y226 PolarHBondContact OE1-N 3.42Å; Y226-S228 VanDerWaalsContact C-N 3.32Å; Y226-S228 PolarHBondContact O-N 2.95Å; Y226-L229 PolarHBondContact O-N 3.32Å; Y226-L230 WeakPolarHBondContact O-CB 3.32Å; Y226-L230 PolarHBondContact O-N 3.31Å |
| 227 | E | 92.4 | Very high | 91.3 | Very high | 112 Ų | 112 | 45.9 Ų | 45.9 | 52% | 0.523 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.8 | -36.8 | 179.4 | -66.3 | -60 | 153.7 | 0 | 0 | 112.8 | N225 R231 | N225-E227 VanDerWaalsContact C-N 3.27Å; N225-E227 PolarHBondContact O-N 3.41Å; E227-R231 VanDerWaalsContact O-CB 3.27Å; E227-R231 WeakPolarHBondContact O-CB 3.37Å; E227-R231 PolarHBondContact O-N 3.45Å |
| 228 | S | 92.2 | Very high | 91.4 | Very high | 46 Ų | 46 | 51 Ų | 51 | 32% | 0.322 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -70 | -42.7 | 177 | -64.7 | 0 | 0 | 0 | 0 | 110.9 | N225 Y226 R231 K232 | N225-S228 WeakPolarHBondContact O-CB 3.38Å; N225-S228 PolarHBondContact O-N 2.92Å; Y226-S228 VanDerWaalsContact C-N 3.32Å; Y226-S228 PolarHBondContact O-N 2.95Å; S228-R231 PolarHBondContact O-N 3.09Å; S228-K232 WeakPolarHBondContact O-CB 3.39Å; S228-K232 PolarHBondContact O-N 2.95Å |
| 229 | L | 90.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.2 | -47 | 174 | 179.9 | 64.2 | 0 | 0 | 0 | 111.1 | L39 V198 F220 T222 N225 Y226 R231 K232 Q233 | L39-L229 HydrophobicContact CD1-CD2 4.39Å; L39-L229 HydrophobicContact CD2-CD2 4.25Å; L39-L229 HydrophobicContact CD2-CG 4.04Å; V198-L229 HydrophobicContact CG2-CD2 3.99Å; F220-L229 HydrophobicContact CB-CD2 4.26Å; F220-L229 HydrophobicContact CD1-CD1 4.45Å; F220-L229 HydrophobicContact CG-CD2 4.38Å; T222-L229 HydrophobicContact CG2-CB 4.38Å; T222-L229 HydrophobicContact CG2-CD1 4.15Å; T222-L229 HydrophobicContact CG2-CD2 4.01Å; T222-L229 HydrophobicContact CG2-CG 4.4Å; N225-L229 PolarHBondContact O-N 2.95Å; Y226-L229 PolarHBondContact O-N 3.32Å; L229-R231 PolarHBondContact O-N 2.91Å; L229-K232 WeakPolarHBondContact O-CB 3.33Å; L229-K232 PolarHBondContact O-N 3.19Å; L229-Q233 WeakPolarHBondContact O-CG 3.29Å; L229-Q233 PolarHBondContact O-N 2.72Å |
| 230 | L | 91.9 | Very high | 91.5 | Very high | 19 Ų | 19 | 56.4 Ų | 56.4 | 10% | 0.099 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.3 | -46 | 178.1 | -172.2 | 69.7 | 0 | 0 | 0 | 111.3 | L39 K40 Y226 K232 Q233 M234 | L39-L230 HydrophobicContact CB-CD1 4.16Å; L39-L230 HydrophobicContact CD2-CB 4.38Å; L39-L230 HydrophobicContact CD2-CD1 3.86Å; L39-L230 HydrophobicContact CG-CD1 3.91Å; K40-L230 HydrophobicContact CB-CD1 4.3Å; Y226-L230 WeakPolarHBondContact O-CB 3.32Å; Y226-L230 PolarHBondContact O-N 3.31Å; L230-K232 VanDerWaalsContact C-N 3.33Å; L230-K232 PolarHBondContact O-N 3.33Å; L230-Q233 PolarHBondContact O-N 3.44Å; L230-M234 HydrophobicContact CD1-CE 3.94Å; L230-M234 HydrophobicContact CD2-CE 4.08Å; L230-M234 HydrophobicContact CG-CE 3.91Å; L230-M234 HydrophobicContact CG-SD 4.44Å; L230-M234 WeakPolarHBondContact O-CB 3.5Å; L230-M234 WeakPolarHBondContact O-CG 3.13Å; L230-M234 PolarHBondContact O-N 2.9Å |
| 231 | R | 92.1 | Very high | 91.5 | Very high | 175 Ų | 175 | 61.2 Ų | 61.2 | 66% | 0.66 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -61.3 | -41.2 | 176.8 | -170.8 | -173.8 | -56.8 | 172 | 3.6 | 111.7 | E227 S228 L229 M234 S235 | E227-R231 VanDerWaalsContact O-CB 3.27Å; E227-R231 WeakPolarHBondContact O-CB 3.37Å; E227-R231 PolarHBondContact O-N 3.45Å; S228-R231 PolarHBondContact O-N 3.09Å; L229-R231 PolarHBondContact O-N 2.91Å; R231-M234 PolarHBondContact O-N 3.45Å; R231-S235 VanDerWaalsContact O-CB 3.3Å; R231-S235 WeakPolarHBondContact O-CB 3.15Å; R231-S235 PolarHBondContact O-N 2.94Å; R231-S235 PolarHBondContact O-OG 2.98Å |
| 232 | K | 90.6 | Very high | 91.5 | Very high | 96 Ų | 96 | 66 Ų | 66 | 42% | 0.417 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.9 | -50.1 | 176.8 | -173 | 175.9 | -177.1 | 176.3 | 0 | 110.6 | E149 S228 L229 L230 M234 S235 G236 | E149-K232 WeakPolarHBondContact OE1-CE 3.42Å; E149-K232 IonicContact OE1-NZ 2.64Å; E149-K232 PolarHBondContact OE1-NZ 3.35Å; S228-K232 WeakPolarHBondContact O-CB 3.39Å; S228-K232 PolarHBondContact O-N 2.95Å; L229-K232 WeakPolarHBondContact O-CB 3.33Å; L229-K232 PolarHBondContact O-N 3.19Å; L230-K232 VanDerWaalsContact C-N 3.33Å; L230-K232 PolarHBondContact O-N 3.33Å; K232-M234 PolarHBondContact O-N 3.35Å; K232-S235 PolarHBondContact O-N 2.94Å; K232-S235 PolarHBondContact O-OG 3.01Å; K232-G236 PolarHBondContact O-N 3.44Å |
| 233 | Q | 89.9 | Confident | 91.4 | Very high | 7 Ų | 7 | 68.7 Ų | 68.7 | 3% | 0.033 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.1 | -42.8 | 178.3 | -62.3 | -55.8 | -28.4 | 0 | 0 | 112.3 | A36 L39 E149 L229 L230 S235 G236 V237 | A36-Q233 HydrophobicContact CB-CB 4.5Å; L39-Q233 HydrophobicContact CD2-CG 4.27Å; E149-Q233 PolarHBondContact OE2-NE2 2.87Å; L229-Q233 WeakPolarHBondContact O-CG 3.29Å; L229-Q233 PolarHBondContact O-N 2.72Å; L230-Q233 PolarHBondContact O-N 3.44Å; Q233-S235 PolarHBondContact O-N 2.72Å; Q233-G236 PolarHBondContact O-N 3.11Å; Q233-V237 WeakPolarHBondContact O-CG2 3.24Å; Q233-V237 PolarHBondContact O-N 3.3Å |
| 234 | M | 89.1 | Confident | 91.5 | Very high | 77 Ų | 77 | 65.7 Ų | 65.7 | 38% | 0.379 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67.1 | -32.9 | 177.5 | -74.1 | -169.3 | -179 | 0 | 0 | 113.6 | A36 K40 L230 R231 K232 V237 R238 | A36-M234 HydrophobicContact CB-CG 4.43Å; K40-M234 HydrophobicContact CD-CE 4.19Å; L230-M234 HydrophobicContact CD1-CE 3.94Å; L230-M234 HydrophobicContact CD2-CE 4.08Å; L230-M234 HydrophobicContact CG-CE 3.91Å; L230-M234 HydrophobicContact CG-SD 4.44Å; L230-M234 WeakPolarHBondContact O-CB 3.5Å; L230-M234 WeakPolarHBondContact O-CG 3.13Å; L230-M234 PolarHBondContact O-N 2.9Å; R231-M234 PolarHBondContact O-N 3.45Å; K232-M234 PolarHBondContact O-N 3.35Å; M234-V237 WeakPolarHBondContact O-CB 3.22Å; M234-V237 PolarHBondContact O-N 2.99Å; M234-R238 PolarHBondContact O-N 2.72Å |
| 235 | S | 87.9 | Confident | 91.7 | Very high | 51 Ų | 51 | 69.7 Ų | 69.7 | 36% | 0.357 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.5 | -41.5 | 178.6 | 72.7 | 0 | 0 | 0 | 0 | 111.6 | R231 K232 Q233 V237 R238 | R231-S235 VanDerWaalsContact O-CB 3.3Å; R231-S235 WeakPolarHBondContact O-CB 3.15Å; R231-S235 PolarHBondContact O-N 2.94Å; R231-S235 PolarHBondContact O-OG 2.98Å; K232-S235 PolarHBondContact O-N 2.94Å; K232-S235 PolarHBondContact O-OG 3.01Å; Q233-S235 PolarHBondContact O-N 2.72Å; S235-V237 VanDerWaalsContact C-N 3.33Å; S235-V237 PolarHBondContact O-N 3.42Å; S235-R238 PolarHBondContact O-N 3.12Å |
| 236 | G | 87.1 | Confident | 91.9 | Very high | 20 Ų | 20 | 69.2 Ų | 69.2 | 21% | 0.206 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.4 | -39.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | K232 Q233 R238 V239 W240 | K232-G236 PolarHBondContact O-N 3.44Å; Q233-G236 PolarHBondContact O-N 3.11Å; G236-R238 VanDerWaalsContact C-N 3.3Å; G236-R238 PolarHBondContact O-N 3.41Å; G236-V239 PolarHBondContact O-N 2.99Å; G236-W240 PolarHBondContact O-N 2.93Å |
| 237 | V | 91.4 | Very high | 92 | Very high | 19 Ų | 19 | 71.3 Ų | 71.3 | 12% | 0.115 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -55.8 | -43.8 | 177.3 | 171.4 | 0 | 0 | 0 | 0 | 111.7 | Y29 R32 V33 A36 Q233 M234 S235 V239 R241 | Y29-V237 HydrophobicContact CD2-CG1 4.01Å; Y29-V237 HydrophobicContact CE2-CG1 3.59Å; R32-V237 HydrophobicContact CB-CG2 3.75Å; V33-V237 HydrophobicContact CG2-CG1 3.49Å; V33-V237 VanDerWaalsContact CG2-CG1 3.49Å; V33-V237 HydrophobicContact CG2-CG2 4.18Å; A36-V237 HydrophobicContact CB-CG2 4.37Å; Q233-V237 WeakPolarHBondContact O-CG2 3.24Å; Q233-V237 PolarHBondContact O-N 3.3Å; M234-V237 WeakPolarHBondContact O-CB 3.22Å; M234-V237 PolarHBondContact O-N 2.99Å; S235-V237 VanDerWaalsContact C-N 3.33Å; S235-V237 PolarHBondContact O-N 3.42Å; V237-V239 PolarHBondContact O-N 2.89Å; V237-R241 VanDerWaalsContact O-CB 3.24Å; V237-R241 WeakPolarHBondContact O-CB 3.4Å; V237-R241 PolarHBondContact O-N 2.86Å |
| 238 | R | 88.9 | Confident | 92.2 | Very high | 152 Ų | 152 | 66.8 Ų | 66.8 | 57% | 0.574 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -61.8 | -43.9 | 178.8 | -81.4 | -172.1 | -71.7 | 174.2 | -3.1 | 112.2 | M234 S235 G236 R241 I242 | M234-R238 PolarHBondContact O-N 2.72Å; S235-R238 PolarHBondContact O-N 3.12Å; G236-R238 VanDerWaalsContact C-N 3.3Å; G236-R238 PolarHBondContact O-N 3.41Å; R238-R241 WeakPolarHBondContact O-CB 3.35Å; R238-R241 PolarHBondContact O-N 3.5Å; R238-I242 VanDerWaalsContact O-CG1 3.28Å; R238-I242 WeakPolarHBondContact O-CG1 3.29Å; R238-I242 PolarHBondContact O-N 3.34Å |
| 239 | V | 91.2 | Very high | 92.4 | Very high | 84 Ų | 84 | 70.6 Ų | 70.6 | 51% | 0.509 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.4 | -50.7 | -179.5 | 177.8 | 0 | 0 | 0 | 0 | 110.6 | G236 V237 R241 I242 L243 | G236-V239 PolarHBondContact O-N 2.99Å; V237-V239 PolarHBondContact O-N 2.89Å; V239-R241 VanDerWaalsContact C-N 3.28Å; V239-R241 PolarHBondContact O-N 3.34Å; V239-I242 PolarHBondContact O-N 3.01Å; V239-L243 HydrophobicContact CG1-CD1 4.01Å; V239-L243 WeakPolarHBondContact O-CG 3.45Å; V239-L243 PolarHBondContact O-N 3.07Å |
| 240 | W | 92.9 | Very high | 92.6 | Very high | 68 Ų | 68 | 72.6 Ų | 72.6 | 26% | 0.258 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.4 | -33 | 179.2 | -69.7 | 111.5 | 0 | 0 | 0 | 112.9 | F25 I28 G236 L243 S244 | F25-W240 HydrophobicContact CB-CE3 4.31Å; F25-W240 AromaticContact CD1-CE3 3.92Å; F25-W240 HydrophobicContact CD1-CE3 3.92Å; F25-W240 AromaticContact CD1-CZ3 3.4Å; F25-W240 HydrophobicContact CD1-CZ3 3.4Å; F25-W240 VanDerWaalsContact CD1-CZ3 3.4Å; F25-W240 AromaticContact CE1-CZ3 3.75Å; F25-W240 HydrophobicContact CE1-CZ3 3.75Å; F25-W240 HydrophobicContact CG-CE3 4.3Å; F25-W240 HydrophobicContact CG-CZ3 4.21Å; I28-W240 HydrophobicContact CB-CD2 4.2Å; I28-W240 HydrophobicContact CB-CE3 4.25Å; I28-W240 HydrophobicContact CD1-CE3 4.29Å; I28-W240 HydrophobicContact CD1-CH2 3.74Å; I28-W240 HydrophobicContact CD1-CZ2 4.24Å; I28-W240 HydrophobicContact CD1-CZ3 3.78Å; I28-W240 HydrophobicContact CG2-CD2 3.6Å; I28-W240 HydrophobicContact CG2-CE3 4.1Å; I28-W240 HydrophobicContact CG2-CG 3.91Å; I28-W240 HydrophobicContact CG2-CH2 4.4Å; I28-W240 HydrophobicContact CG2-CZ2 3.94Å; I28-W240 HydrophobicContact CG2-CZ3 4.48Å; G236-W240 PolarHBondContact O-N 2.93Å; W240-L243 HydrophobicContact CE3-CD1 4.05Å; W240-L243 HydrophobicContact CZ3-CD1 4.22Å; W240-S244 WeakPolarHBondContact O-CB 3.43Å; W240-S244 PolarHBondContact O-N 2.92Å |
| 241 | R | 94.1 | Very high | 92.7 | Very high | 103 Ų | 103 | 72.2 Ų | 72.2 | 39% | 0.389 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.8 | -48.7 | 172.9 | -170.3 | 173.9 | 66.2 | -179.7 | 2.8 | 112 | Y29 V237 R238 V239 S244 Y245 | Y29-R241 HydrophobicContact CD2-CB 3.7Å; Y29-R241 HydrophobicContact CD2-CG 4.33Å; Y29-R241 HydrophobicContact CE2-CB 3.49Å; Y29-R241 VanDerWaalsContact CE2-CB 3.49Å; Y29-R241 HydrophobicContact CE2-CG 3.77Å; V237-R241 VanDerWaalsContact O-CB 3.24Å; V237-R241 WeakPolarHBondContact O-CB 3.4Å; V237-R241 PolarHBondContact O-N 2.86Å; R238-R241 WeakPolarHBondContact O-CB 3.35Å; R238-R241 PolarHBondContact O-N 3.5Å; V239-R241 VanDerWaalsContact C-N 3.28Å; V239-R241 PolarHBondContact O-N 3.34Å; R241-S244 PolarHBondContact O-N 3.22Å; R241-Y245 HydrophobicContact CG-CD2 3.78Å; R241-Y245 HydrophobicContact CG-CE2 3.43Å; R241-Y245 VanDerWaalsContact CG-CE2 3.43Å; R241-Y245 WeakPolarHBondContact O-CD2 3.29Å; R241-Y245 PolarHBondContact O-N 3.34Å |
| 242 | I | 94.3 | Very high | 92.9 | Very high | 101 Ų | 101 | 67.2 Ų | 67.2 | 52% | 0.518 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62 | -46.8 | 179.3 | -67.8 | 164.4 | 0 | 0 | 0 | 109.8 | R238 V239 S244 Y245 V246 | R238-I242 VanDerWaalsContact O-CG1 3.28Å; R238-I242 WeakPolarHBondContact O-CG1 3.29Å; R238-I242 PolarHBondContact O-N 3.34Å; V239-I242 PolarHBondContact O-N 3.01Å; I242-S244 PolarHBondContact O-N 2.99Å; I242-Y245 PolarHBondContact O-N 3.37Å; I242-V246 HydrophobicContact CG2-CG2 4.22Å; I242-V246 VanDerWaalsContact O-CG2 3.31Å; I242-V246 WeakPolarHBondContact O-CG2 3.48Å; I242-V246 PolarHBondContact O-N 3.08Å |
| 243 | L | 94.5 | Very high | 93.1 | Very high | 57 Ų | 57 | 65.9 Ų | 65.9 | 30% | 0.298 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58.1 | -47.3 | 176.2 | -73.3 | 169.4 | 0 | 0 | 0 | 111.6 | F25 V239 W240 Y245 V246 F247 | F25-L243 HydrophobicContact CD2-CB 3.94Å; F25-L243 HydrophobicContact CE2-CB 4.37Å; F25-L243 HydrophobicContact CG-CB 4.34Å; V239-L243 HydrophobicContact CG1-CD1 4.01Å; V239-L243 WeakPolarHBondContact O-CG 3.45Å; V239-L243 PolarHBondContact O-N 3.07Å; W240-L243 HydrophobicContact CE3-CD1 4.05Å; W240-L243 HydrophobicContact CZ3-CD1 4.22Å; L243-Y245 VanDerWaalsContact C-N 3.32Å; L243-Y245 PolarHBondContact O-N 3.34Å; L243-V246 PolarHBondContact O-N 3.37Å; L243-F247 HydrophobicContact CD2-CE2 4.27Å; L243-F247 WeakPolarHBondContact O-CD2 3.03Å; L243-F247 PolarHBondContact O-N 3.01Å; L243-F247 VanDerWaalsContact O-N 3.07Å |
| 244 | S | 94.6 | Very high | 93.2 | Very high | 12 Ų | 12 | 67.3 Ų | 67.3 | 8% | 0.084 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.3 | -39.5 | 177.6 | -177.7 | 0 | 0 | 0 | 0 | 112.5 | W240 R241 I242 G248 | W240-S244 WeakPolarHBondContact O-CB 3.43Å; W240-S244 PolarHBondContact O-N 2.92Å; R241-S244 PolarHBondContact O-N 3.22Å; I242-S244 PolarHBondContact O-N 2.99Å; S244-G248 PolarHBondContact O-N 3.07Å |
| 245 | Y | 95.5 | Very high | 93.4 | Very high | 150 Ų | 150 | 67.4 Ų | 67.4 | 59% | 0.588 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -70 | -44 | 177.1 | -77.4 | -52.9 | 0 | 0 | 0 | 112.8 | R241 I242 L243 G248 L249 | R241-Y245 HydrophobicContact CG-CD2 3.78Å; R241-Y245 HydrophobicContact CG-CE2 3.43Å; R241-Y245 VanDerWaalsContact CG-CE2 3.43Å; R241-Y245 WeakPolarHBondContact O-CD2 3.29Å; R241-Y245 PolarHBondContact O-N 3.34Å; I242-Y245 PolarHBondContact O-N 3.37Å; L243-Y245 VanDerWaalsContact C-N 3.32Å; L243-Y245 PolarHBondContact O-N 3.34Å; Y245-G248 PolarHBondContact O-N 3.1Å; Y245-L249 WeakPolarHBondContact O-CB 3.3Å; Y245-L249 VanDerWaalsContact O-CG 3.3Å; Y245-L249 WeakPolarHBondContact O-CG 3.2Å; Y245-L249 PolarHBondContact O-N 2.93Å |
| 246 | V | 96.2 | Very high | 93.8 | Very high | 86 Ų | 86 | 70.7 Ų | 70.7 | 52% | 0.521 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.8 | -49.4 | -178.8 | 169.8 | 0 | 0 | 0 | 0 | 110.8 | I242 L243 L249 A250 | I242-V246 HydrophobicContact CG2-CG2 4.22Å; I242-V246 VanDerWaalsContact O-CG2 3.31Å; I242-V246 WeakPolarHBondContact O-CG2 3.48Å; I242-V246 PolarHBondContact O-N 3.08Å; L243-V246 PolarHBondContact O-N 3.37Å; V246-L249 PolarHBondContact O-N 2.92Å; V246-A250 PolarHBondContact O-N 3.05Å; V246-A250 VanDerWaalsContact O-N 3.1Å |
| 247 | F | 95.1 | Very high | 94 | Very high | 63 Ų | 63 | 75.6 Ų | 75.6 | 28% | 0.276 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -69.5 | -34.6 | 178.3 | -78.9 | -92.6 | 0 | 0 | 0 | 112.3 | L21 T22 F25 L243 A250 A251 | L21-F247 HydrophobicContact CB-CD1 3.94Å; L21-F247 HydrophobicContact CB-CE1 4.33Å; L21-F247 HydrophobicContact CB-CG 4.41Å; L21-F247 HydrophobicContact CD1-CD1 3.86Å; L21-F247 HydrophobicContact CD1-CE1 3.46Å; L21-F247 VanDerWaalsContact CD1-CE1 3.46Å; L21-F247 HydrophobicContact CD1-CZ 4.26Å; T22-F247 WeakPolarHBondContact OG1-CB 3.42Å; T22-F247 PolarHBondContact OG1-O 3.36Å; F25-F247 AromaticContact CD2-CD2 3.88Å; F25-F247 HydrophobicContact CD2-CD2 3.88Å; F25-F247 HydrophobicContact CD2-CE2 4.37Å; F25-F247 HydrophobicContact CD2-CG 4.25Å; F25-F247 AromaticContact CE2-CD2 3.54Å; F25-F247 HydrophobicContact CE2-CD2 3.54Å; F25-F247 AromaticContact CE2-CE2 3.6Å; F25-F247 HydrophobicContact CE2-CE2 3.6Å; F25-F247 HydrophobicContact CE2-CG 4.02Å; F25-F247 HydrophobicContact CE2-CZ 4.13Å; L243-F247 HydrophobicContact CD2-CE2 4.27Å; L243-F247 WeakPolarHBondContact O-CD2 3.03Å; L243-F247 PolarHBondContact O-N 3.01Å; L243-F247 VanDerWaalsContact O-N 3.07Å; F247-A250 PolarHBondContact O-N 3.26Å; F247-A251 WeakPolarHBondContact O-CB 3.48Å; F247-A251 PolarHBondContact O-N 2.85Å |
| 248 | G | 95.4 | Very high | 94 | Very high | 17 Ų | 17 | 75.8 Ų | 75.8 | 18% | 0.175 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.5 | -43 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T22 S244 Y245 A251 C252 | T22-G248 PolarHBondContact OG1-N 2.89Å; S244-G248 PolarHBondContact O-N 3.07Å; Y245-G248 PolarHBondContact O-N 3.1Å; G248-A251 PolarHBondContact O-N 2.96Å; G248-C252 WeakPolarHBondContact O-CB 3.31Å; G248-C252 PolarHBondContact O-N 3.43Å; G248-C252 PolarHBondContact O-SG 2.87Å; G248-C252 VanDerWaalsContact O-SG 3.37Å |
| 249 | L | 96.3 | Very high | 94.1 | Very high | 126 Ų | 126 | 72.5 Ų | 72.5 | 66% | 0.66 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -64.2 | -39.7 | 175.3 | -73.6 | 173.1 | 0 | 0 | 0 | 111.9 | Y245 V246 C252 S253 | Y245-L249 WeakPolarHBondContact O-CB 3.3Å; Y245-L249 VanDerWaalsContact O-CG 3.3Å; Y245-L249 WeakPolarHBondContact O-CG 3.2Å; Y245-L249 PolarHBondContact O-N 2.93Å; V246-L249 PolarHBondContact O-N 2.92Å; L249-C252 PolarHBondContact O-N 2.97Å; L249-S253 WeakPolarHBondContact O-CB 3.41Å; L249-S253 PolarHBondContact O-N 2.97Å; L249-S253 PolarHBondContact O-OG 2.94Å |
| 250 | A | 94.6 | Very high | 94.3 | Very high | 41 Ų | 41 | 76.2 Ų | 76.2 | 34% | 0.339 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.6 | -40.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V246 F247 S253 T254 | V246-A250 PolarHBondContact O-N 3.05Å; V246-A250 VanDerWaalsContact O-N 3.1Å; F247-A250 PolarHBondContact O-N 3.26Å; A250-S253 PolarHBondContact O-OG 3.43Å; A250-T254 WeakPolarHBondContact O-CB 3.3Å; A250-T254 VanDerWaalsContact O-CG2 3.3Å; A250-T254 WeakPolarHBondContact O-CG2 3.44Å; A250-T254 PolarHBondContact O-N 3.34Å; A250-T254 PolarHBondContact O-OG1 3.43Å |
| 251 | A | 94.8 | Very high | 94.1 | Very high | 11 Ų | 11 | 76.1 Ų | 76.1 | 9% | 0.091 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65 | -43.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L15 F247 G248 T254 L255 | L15-A251 WeakPolarHBondContact CD1-O 3.43Å; F247-A251 WeakPolarHBondContact O-CB 3.48Å; F247-A251 PolarHBondContact O-N 2.85Å; G248-A251 PolarHBondContact O-N 2.96Å; A251-T254 PolarHBondContact O-OG1 2.99Å; A251-L255 VanDerWaalsContact O-CB 3.26Å; A251-L255 WeakPolarHBondContact O-CB 3.47Å; A251-L255 PolarHBondContact O-N 2.87Å |
| 252 | C | 96.1 | Very high | 93.8 | Very high | 71 Ų | 71 | 78.6 Ų | 78.6 | 48% | 0.48 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64 | -43.5 | 176.4 | -74.3 | 0 | 0 | 0 | 0 | 112.5 | G248 L249 L255 L256 | G248-C252 WeakPolarHBondContact O-CB 3.31Å; G248-C252 PolarHBondContact O-N 3.43Å; G248-C252 PolarHBondContact O-SG 2.87Å; G248-C252 VanDerWaalsContact O-SG 3.37Å; L249-C252 PolarHBondContact O-N 2.97Å; C252-L255 PolarHBondContact O-N 3.43Å; C252-L256 WeakPolarHBondContact O-CB 3.36Å; C252-L256 VanDerWaalsContact O-CG 3.29Å; C252-L256 WeakPolarHBondContact O-CG 3.29Å; C252-L256 PolarHBondContact O-N 3.36Å |
| 253 | S | 94.8 | Very high | 93.6 | Very high | 68 Ų | 68 | 80.5 Ų | 80.5 | 48% | 0.476 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -66.5 | -41.7 | -179.6 | 66.5 | 0 | 0 | 0 | 0 | 112.1 | L249 A250 L256 Y257 | L249-S253 WeakPolarHBondContact O-CB 3.41Å; L249-S253 PolarHBondContact O-N 2.97Å; L249-S253 PolarHBondContact O-OG 2.94Å; A250-S253 PolarHBondContact O-OG 3.43Å; S253-L256 PolarHBondContact O-N 2.91Å; S253-Y257 WeakPolarHBondContact O-CB 3.26Å; S253-Y257 PolarHBondContact O-N 2.86Å |
| 254 | T | 92.1 | Very high | 93.4 | Very high | 36 Ų | 36 | 80 Ų | 80 | 22% | 0.221 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -66.7 | -40.3 | 175.8 | 52.6 | 0 | 0 | 0 | 0 | 111.9 | V14 A250 A251 Y257 V258 | V14-T254 HydrophobicContact CG1-CG2 4.12Å; A250-T254 WeakPolarHBondContact O-CB 3.3Å; A250-T254 VanDerWaalsContact O-CG2 3.3Å; A250-T254 WeakPolarHBondContact O-CG2 3.44Å; A250-T254 PolarHBondContact O-N 3.34Å; A250-T254 PolarHBondContact O-OG1 3.43Å; A251-T254 PolarHBondContact O-OG1 2.99Å; T254-Y257 PolarHBondContact O-N 3.49Å; T254-V258 WeakPolarHBondContact O-CG2 3.43Å; T254-V258 PolarHBondContact O-N 2.91Å |
| 255 | L | 94.1 | Very high | 93.1 | Very high | 79 Ų | 79 | 82.8 Ų | 82.8 | 41% | 0.414 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.7 | -48.5 | 173.9 | -178.4 | 65.7 | 0 | 0 | 0 | 111.6 | L15 A251 C252 Y257 V258 L259 | L15-L255 HydrophobicContact CD1-CB 3.96Å; L15-L255 HydrophobicContact CD2-CD1 3.97Å; A251-L255 VanDerWaalsContact O-CB 3.26Å; A251-L255 WeakPolarHBondContact O-CB 3.47Å; A251-L255 PolarHBondContact O-N 2.87Å; C252-L255 PolarHBondContact O-N 3.43Å; L255-Y257 VanDerWaalsContact C-N 3.31Å; L255-Y257 PolarHBondContact O-N 3.08Å; L255-V258 PolarHBondContact O-N 3.32Å; L255-L259 HydrophobicContact CD1-CD1 4.23Å; L255-L259 HydrophobicContact CD1-CG 4.34Å; L255-L259 HydrophobicContact CG-CD1 4Å; L255-L259 HydrophobicContact CG-CG 4.47Å; L255-L259 WeakPolarHBondContact O-CB 3.28Å; L255-L259 VanDerWaalsContact O-CG 3.28Å; L255-L259 WeakPolarHBondContact O-CG 3.46Å; L255-L259 PolarHBondContact O-N 2.89Å |
| 256 | L | 95.1 | Very high | 92.7 | Very high | 121 Ų | 121 | 77.5 Ų | 77.5 | 63% | 0.634 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -61.2 | -40.3 | 178 | -74.2 | 173.2 | 0 | 0 | 0 | 111.8 | C252 S253 L259 W260 | C252-L256 WeakPolarHBondContact O-CB 3.36Å; C252-L256 VanDerWaalsContact O-CG 3.29Å; C252-L256 WeakPolarHBondContact O-CG 3.29Å; C252-L256 PolarHBondContact O-N 3.36Å; S253-L256 PolarHBondContact O-N 2.91Å; L256-L259 PolarHBondContact O-N 3.3Å; L256-W260 VanDerWaalsContact O-CB 3.24Å; L256-W260 WeakPolarHBondContact O-CB 3.27Å; L256-W260 PolarHBondContact O-N 2.97Å |
| 257 | Y | 92.8 | Very high | 92.3 | Very high | 123 Ų | 123 | 80.2 Ų | 80.2 | 48% | 0.482 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.3 | -47 | 176.2 | 177.7 | -99 | 0 | 0 | 0 | 112.2 | S253 T254 L255 L259 W260 K261 | S253-Y257 WeakPolarHBondContact O-CB 3.26Å; S253-Y257 PolarHBondContact O-N 2.86Å; T254-Y257 PolarHBondContact O-N 3.49Å; L255-Y257 VanDerWaalsContact C-N 3.31Å; L255-Y257 PolarHBondContact O-N 3.08Å; Y257-L259 PolarHBondContact O-N 2.74Å; Y257-W260 PolarHBondContact O-N 2.83Å; Y257-K261 HydrophobicContact CE1-CD 4.28Å; Y257-K261 WeakPolarHBondContact O-CB 3.43Å; Y257-K261 PolarHBondContact O-N 3.15Å |
| 258 | V | 90.8 | Very high | 92 | Very high | 22 Ų | 22 | 81.9 Ų | 81.9 | 13% | 0.133 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -62.6 | -43.8 | 177.7 | 170.5 | 0 | 0 | 0 | 0 | 110.9 | P7 E11 T254 L255 K261 W262 | P7-V258 HydrophobicContact CB-CG1 4.06Å; E11-V258 HydrophobicContact CB-CG2 4.09Å; T254-V258 WeakPolarHBondContact O-CG2 3.43Å; T254-V258 PolarHBondContact O-N 2.91Å; L255-V258 PolarHBondContact O-N 3.32Å; V258-K261 PolarHBondContact O-N 3.03Å; V258-W262 VanDerWaalsContact O-CB 3.3Å; V258-W262 WeakPolarHBondContact O-CB 3.35Å; V258-W262 PolarHBondContact O-N 3.48Å |
| 259 | L | 91.8 | Very high | 91.4 | Very high | 84 Ų | 84 | 82.9 Ų | 82.9 | 44% | 0.44 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 176.5 | -71.7 | 175 | 0 | 0 | 0 | 112 | L255 L256 Y257 W262 Y263 | L255-L259 HydrophobicContact CD1-CD1 4.23Å; L255-L259 HydrophobicContact CD1-CG 4.34Å; L255-L259 HydrophobicContact CG-CD1 4Å; L255-L259 HydrophobicContact CG-CG 4.47Å; L255-L259 WeakPolarHBondContact O-CB 3.28Å; L255-L259 VanDerWaalsContact O-CG 3.28Å; L255-L259 WeakPolarHBondContact O-CG 3.46Å; L255-L259 PolarHBondContact O-N 2.89Å; L256-L259 PolarHBondContact O-N 3.3Å; Y257-L259 PolarHBondContact O-N 2.74Å; L259-W262 PolarHBondContact O-N 3.45Å; L259-Y263 VanDerWaalsContact O-CB 3.28Å; L259-Y263 WeakPolarHBondContact O-CB 3.41Å; L259-Y263 PolarHBondContact O-N 3.5Å |
| 260 | W | 93.7 | Very high | 90.9 | Very high | 161 Ų | 161 | 86.1 Ų | 86.1 | 61% | 0.61 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -64.5 | -46.5 | 176.5 | 179.1 | 77.6 | 0 | 0 | 0 | 111.7 | L256 Y257 W262 Y263 V264 | L256-W260 VanDerWaalsContact O-CB 3.24Å; L256-W260 WeakPolarHBondContact O-CB 3.27Å; L256-W260 PolarHBondContact O-N 2.97Å; Y257-W260 PolarHBondContact O-N 2.83Å; W260-W262 VanDerWaalsContact C-N 3.33Å; W260-W262 PolarHBondContact O-N 3.44Å; W260-Y263 WeakPolarHBondContact O-CB 3.4Å; W260-Y263 PolarHBondContact O-N 3.42Å; W260-V264 HydrophobicContact CD2-CG2 4.26Å; W260-V264 HydrophobicContact CZ2-CG2 4.1Å; W260-V264 WeakPolarHBondContact O-CG2 3.35Å; W260-V264 PolarHBondContact O-N 3.44Å |
| 261 | K | 89.7 | Confident | 90.6 | Very high | 66 Ų | 66 | 89.9 Ų | 89.9 | 29% | 0.287 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60.1 | -43.8 | 175.7 | -174.8 | -179.7 | 177.5 | -173.5 | 0 | 111.4 | E11 Y257 V258 V264 H265 | E11-K261 VanDerWaalsContact CD-NZ 3.32Å; E11-K261 IonicContact OE1-NZ 2.71Å; E11-K261 PolarHBondContact OE1-NZ 3.12Å; E11-K261 IonicContact OE2-NZ 2.74Å; E11-K261 PolarHBondContact OE2-NZ 2.9Å; Y257-K261 HydrophobicContact CE1-CD 4.28Å; Y257-K261 WeakPolarHBondContact O-CB 3.43Å; Y257-K261 PolarHBondContact O-N 3.15Å; V258-K261 PolarHBondContact O-N 3.03Å; K261-V264 PolarHBondContact O-N 3.22Å; K261-H265 WeakPolarHBondContact O-CB 3.37Å; K261-H265 PolarHBondContact O-N 2.95Å |
| 262 | W | 87.8 | Confident | 90.1 | Very high | 155 Ų | 155 | 98.3 Ų | 98.3 | 59% | 0.587 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -64 | -41 | 175.2 | 179.8 | 65.9 | 0 | 0 | 0 | 112.3 | V258 L259 W260 H265 C266 | V258-W262 VanDerWaalsContact O-CB 3.3Å; V258-W262 WeakPolarHBondContact O-CB 3.35Å; V258-W262 PolarHBondContact O-N 3.48Å; L259-W262 PolarHBondContact O-N 3.45Å; W260-W262 VanDerWaalsContact C-N 3.33Å; W260-W262 PolarHBondContact O-N 3.44Å; W262-H265 PolarHBondContact O-N 2.88Å; W262-C266 VanDerWaalsContact O-CB 3.3Å; W262-C266 WeakPolarHBondContact O-CB 3.45Å; W262-C266 PolarHBondContact O-N 2.85Å |
| 263 | Y | 90.9 | Very high | 89.6 | Confident | 142 Ų | 142 | 103.3 Ų | 103.3 | 56% | 0.557 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -62.2 | -48.4 | 176 | 173.8 | -102 | 0 | 0 | 0 | 111.9 | L259 W260 H265 C266 R267 | L259-Y263 VanDerWaalsContact O-CB 3.28Å; L259-Y263 WeakPolarHBondContact O-CB 3.41Å; L259-Y263 PolarHBondContact O-N 3.5Å; W260-Y263 WeakPolarHBondContact O-CB 3.4Å; W260-Y263 PolarHBondContact O-N 3.42Å; Y263-H265 VanDerWaalsContact C-N 3.34Å; Y263-H265 PolarHBondContact O-N 3.44Å; Y263-C266 PolarHBondContact O-N 2.83Å; Y263-R267 WeakPolarHBondContact O-CB 3.26Å; Y263-R267 PolarHBondContact O-N 2.79Å |
| 264 | V | 90.3 | Very high | 89.4 | Confident | 47 Ų | 47 | 102.3 Ų | 102.3 | 29% | 0.285 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -59.8 | -46.1 | 176.5 | 172.3 | 0 | 0 | 0 | 0 | 110.3 | W260 K261 C266 R267 E268 | W260-V264 HydrophobicContact CD2-CG2 4.26Å; W260-V264 HydrophobicContact CZ2-CG2 4.1Å; W260-V264 WeakPolarHBondContact O-CG2 3.35Å; W260-V264 PolarHBondContact O-N 3.44Å; K261-V264 PolarHBondContact O-N 3.22Å; V264-C266 PolarHBondContact O-N 2.95Å; V264-R267 WeakPolarHBondContact O-CB 3.3Å; V264-R267 PolarHBondContact O-N 2.83Å; V264-E268 WeakPolarHBondContact O-CG 3.3Å; V264-E268 PolarHBondContact O-N 3.36Å |
| 265 | H | 86.9 | Confident | 89.2 | Confident | 70 Ų | 70 | 104.8 Ų | 104.8 | 32% | 0.324 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.5 | -42.3 | 178.9 | -171.7 | 69.6 | 0 | 0 | 0 | 113 | K261 W262 Y263 R267 E268 S269 | K261-H265 WeakPolarHBondContact O-CB 3.37Å; K261-H265 PolarHBondContact O-N 2.95Å; W262-H265 PolarHBondContact O-N 2.88Å; Y263-H265 VanDerWaalsContact C-N 3.34Å; Y263-H265 PolarHBondContact O-N 3.44Å; H265-R267 VanDerWaalsContact C-N 3.32Å; H265-R267 PolarHBondContact O-N 2.89Å; H265-E268 PolarHBondContact O-N 3.2Å; H265-S269 VanDerWaalsContact O-CB 3.26Å; H265-S269 WeakPolarHBondContact O-CB 3.36Å; H265-S269 PolarHBondContact O-N 3.17Å; H265-S269 PolarHBondContact O-OG 3.12Å |
| 266 | C | 87.3 | Confident | 89 | Confident | 38 Ų | 38 | 106 Ų | 106 | 26% | 0.257 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62 | -40.4 | 173.9 | -85.4 | 0 | 0 | 0 | 0 | 111.5 | W262 Y263 V264 S269 R270 | W262-C266 VanDerWaalsContact O-CB 3.3Å; W262-C266 WeakPolarHBondContact O-CB 3.45Å; W262-C266 PolarHBondContact O-N 2.85Å; Y263-C266 PolarHBondContact O-N 2.83Å; V264-C266 PolarHBondContact O-N 2.95Å; C266-S269 PolarHBondContact O-N 3.44Å; C266-R270 WeakPolarHBondContact O-CB 3.28Å; C266-R270 WeakPolarHBondContact O-CG 3.24Å; C266-R270 PolarHBondContact O-N 2.8Å |
| 267 | R | 88.5 | Confident | 88.8 | Confident | 143 Ų | 143 | 106.5 Ų | 106.5 | 54% | 0.54 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.4 | -45 | 177.8 | -172.3 | -179.3 | -177.4 | -162.4 | 1.9 | 111.6 | Y263 V264 H265 K271 | Y263-R267 WeakPolarHBondContact O-CB 3.26Å; Y263-R267 PolarHBondContact O-N 2.79Å; V264-R267 WeakPolarHBondContact O-CB 3.3Å; V264-R267 PolarHBondContact O-N 2.83Å; H265-R267 VanDerWaalsContact C-N 3.32Å; H265-R267 PolarHBondContact O-N 2.89Å; R267-K271 WeakPolarHBondContact O-CG 3.36Å; R267-K271 PolarHBondContact O-N 3.5Å; R267-K271 VanDerWaalsContact O-N 3.16Å |
| 268 | E | 88.5 | Confident | 88.7 | Confident | 99 Ų | 99 | 106.2 Ų | 106.2 | 46% | 0.463 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.4 | -41.1 | 175.9 | -72.9 | 179.4 | -178.3 | 0 | 0 | 112.3 | V264 H265 R270 K271 R272 | V264-E268 WeakPolarHBondContact O-CG 3.3Å; V264-E268 PolarHBondContact O-N 3.36Å; H265-E268 PolarHBondContact O-N 3.2Å; E268-R270 PolarHBondContact O-N 3.14Å; E268-K271 PolarHBondContact O-N 2.95Å; E268-R272 WeakPolarHBondContact O-CG 3.26Å; E268-R272 PolarHBondContact O-N 3.42Å |
| 269 | S | 83.6 | Confident | 88.7 | Confident | 37 Ų | 37 | 111.1 Ų | 111.1 | 26% | 0.259 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.2 | -38.7 | 178.2 | -61.5 | 0 | 0 | 0 | 0 | 111.9 | H265 C266 R272 R273 | H265-S269 VanDerWaalsContact O-CB 3.26Å; H265-S269 WeakPolarHBondContact O-CB 3.36Å; H265-S269 PolarHBondContact O-N 3.17Å; H265-S269 PolarHBondContact O-OG 3.12Å; C266-S269 PolarHBondContact O-N 3.44Å; S269-R272 PolarHBondContact O-N 2.98Å; S269-R273 WeakPolarHBondContact O-CB 3.25Å; S269-R273 WeakPolarHBondContact O-CG 3.25Å; S269-R273 PolarHBondContact O-N 2.83Å |
| 270 | R | 84.8 | Confident | 88.6 | Confident | 194 Ų | 194 | 111.6 Ų | 111.6 | 73% | 0.732 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.6 | -43.4 | 172.5 | -77.2 | -177.4 | -167.5 | -159.1 | 3.9 | 111.9 | C266 E268 R273 S274 | C266-R270 WeakPolarHBondContact O-CB 3.28Å; C266-R270 WeakPolarHBondContact O-CG 3.24Å; C266-R270 PolarHBondContact O-N 2.8Å; E268-R270 PolarHBondContact O-N 3.14Å; R270-R273 PolarHBondContact O-N 2.9Å; R270-S274 PolarHBondContact O-N 3Å |
| 271 | K | 88.8 | Confident | 88.4 | Confident | 121 Ų | 121 | 108.1 Ų | 108.1 | 53% | 0.526 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 175.7 | -72.5 | -178.3 | 177.8 | -172.1 | 0 | 112.5 | R267 E268 R273 S274 V275 | R267-K271 WeakPolarHBondContact O-CG 3.36Å; R267-K271 PolarHBondContact O-N 3.5Å; R267-K271 VanDerWaalsContact O-N 3.16Å; E268-K271 PolarHBondContact O-N 2.95Å; K271-R273 VanDerWaalsContact C-N 3.33Å; K271-S274 PolarHBondContact O-N 3.01Å; K271-S274 PolarHBondContact O-OG 2.76Å; K271-V275 VanDerWaalsContact O-CG2 3.28Å; K271-V275 WeakPolarHBondContact O-CG2 3.47Å; K271-V275 PolarHBondContact O-N 3.11Å |
| 272 | R | 84.6 | Confident | 88.4 | Confident | 187 Ų | 187 | 111.1 Ų | 111.1 | 71% | 0.706 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.1 | -41.7 | 176.8 | -73.3 | 178.1 | -179.9 | -113.4 | 2 | 111.4 | E268 S269 V275 E276 | E268-R272 WeakPolarHBondContact O-CG 3.26Å; E268-R272 PolarHBondContact O-N 3.42Å; S269-R272 PolarHBondContact O-N 2.98Å; R272-V275 PolarHBondContact O-N 3.26Å; R272-E276 WeakPolarHBondContact O-CB 3.28Å; R272-E276 PolarHBondContact O-N 2.84Å |
| 273 | R | 85.8 | Confident | 88.3 | Confident | 176 Ų | 176 | 109 Ų | 109 | 66% | 0.664 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.3 | -45.1 | 175.9 | -75.2 | 178.7 | 175.7 | -168.6 | -2.1 | 112.5 | S269 R270 K271 V275 E276 E277 | S269-R273 WeakPolarHBondContact O-CB 3.25Å; S269-R273 WeakPolarHBondContact O-CG 3.25Å; S269-R273 PolarHBondContact O-N 2.83Å; R270-R273 PolarHBondContact O-N 2.9Å; K271-R273 VanDerWaalsContact C-N 3.33Å; R273-V275 VanDerWaalsContact C-N 3.35Å; R273-V275 PolarHBondContact O-N 3.49Å; R273-E276 PolarHBondContact O-N 3.15Å; R273-E277 WeakPolarHBondContact O-CB 3.39Å; R273-E277 WeakPolarHBondContact O-CG 3.33Å; R273-E277 PolarHBondContact O-N 2.88Å |
| 274 | S | 89.2 | Confident | 88 | Confident | 48 Ų | 48 | 110.2 Ų | 110.2 | 34% | 0.336 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.7 | -42 | 177.9 | 66.9 | 0 | 0 | 0 | 0 | 111.8 | R270 K271 E277 E278 | R270-S274 PolarHBondContact O-N 3Å; K271-S274 PolarHBondContact O-N 3.01Å; K271-S274 PolarHBondContact O-OG 2.76Å; S274-E277 PolarHBondContact O-N 3.47Å; S274-E278 WeakPolarHBondContact O-CB 3.47Å; S274-E278 VanDerWaalsContact O-CG 3.29Å; S274-E278 WeakPolarHBondContact O-CG 3.33Å; S274-E278 PolarHBondContact O-N 3.41Å |
| 275 | V | 89.3 | Confident | 87.8 | Confident | 88 Ų | 88 | 114.3 Ų | 114.3 | 53% | 0.533 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.1 | -40 | 176.5 | 172.7 | 0 | 0 | 0 | 0 | 111.9 | K271 R272 R273 E278 F279 | K271-V275 VanDerWaalsContact O-CG2 3.28Å; K271-V275 WeakPolarHBondContact O-CG2 3.47Å; K271-V275 PolarHBondContact O-N 3.11Å; R272-V275 PolarHBondContact O-N 3.26Å; R273-V275 VanDerWaalsContact C-N 3.35Å; R273-V275 PolarHBondContact O-N 3.49Å; V275-E278 PolarHBondContact O-N 2.82Å; V275-F279 WeakPolarHBondContact O-CB 3.36Å; V275-F279 PolarHBondContact O-N 3.35Å |
| 276 | E | 88.9 | Confident | 87.8 | Confident | 103 Ų | 103 | 115.6 Ų | 115.6 | 48% | 0.481 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.2 | -37.2 | 177.3 | -168.4 | 179.6 | 161.3 | 0 | 0 | 112.2 | R272 R273 F279 K280 | R272-E276 WeakPolarHBondContact O-CB 3.28Å; R272-E276 PolarHBondContact O-N 2.84Å; R273-E276 PolarHBondContact O-N 3.15Å; E276-F279 PolarHBondContact O-N 2.87Å; E276-K280 HydrophobicContact CG-CD 4.43Å; E276-K280 WeakPolarHBondContact O-CB 3.46Å; E276-K280 VanDerWaalsContact O-CG 3.32Å; E276-K280 WeakPolarHBondContact O-CG 3.38Å; E276-K280 PolarHBondContact O-N 3.18Å; E276-K280 VanDerWaalsContact OE1-CE 3.26Å; E276-K280 WeakPolarHBondContact OE1-CE 3.26Å; E276-K280 IonicContact OE1-NZ 3.55Å; E276-K280 PolarHBondContact OE1-NZ 2.9Å |
| 277 | E | 90.4 | Very high | 87.3 | Confident | 132 Ų | 132 | 116.7 Ų | 116.7 | 62% | 0.617 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.9 | -45.6 | 172.7 | -75.9 | 171.9 | -174.5 | 0 | 0 | 111.4 | R273 S274 F279 K280 E281 | R273-E277 WeakPolarHBondContact O-CB 3.39Å; R273-E277 WeakPolarHBondContact O-CG 3.33Å; R273-E277 PolarHBondContact O-N 2.88Å; S274-E277 PolarHBondContact O-N 3.47Å; E277-F279 PolarHBondContact O-N 2.85Å; E277-K280 PolarHBondContact O-N 2.87Å; E277-E281 WeakPolarHBondContact O-CB 3.45Å; E277-E281 PolarHBondContact O-N 3.24Å |
| 278 | E | 90.9 | Very high | 86.9 | Confident | 117 Ų | 117 | 118 Ų | 118 | 55% | 0.547 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58.2 | -46.8 | 174.1 | -76.2 | 170.5 | -165.4 | 0 | 0 | 111.4 | S274 V275 E281 Q282 | S274-E278 WeakPolarHBondContact O-CB 3.47Å; S274-E278 VanDerWaalsContact O-CG 3.29Å; S274-E278 WeakPolarHBondContact O-CG 3.33Å; S274-E278 PolarHBondContact O-N 3.41Å; V275-E278 PolarHBondContact O-N 2.82Å; E278-E281 PolarHBondContact O-N 3.49Å; E278-Q282 WeakPolarHBondContact O-CG 3.47Å; E278-Q282 PolarHBondContact O-N 2.93Å |
| 279 | F | 90.9 | Very high | 86.4 | Confident | 125 Ų | 125 | 120.7 Ų | 120.7 | 55% | 0.548 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 177.9 | -175.4 | -98.7 | 0 | 0 | 0 | 112.2 | V275 E276 E277 E281 Q282 Q283 | V275-F279 WeakPolarHBondContact O-CB 3.36Å; V275-F279 PolarHBondContact O-N 3.35Å; E276-F279 PolarHBondContact O-N 2.87Å; E277-F279 PolarHBondContact O-N 2.85Å; F279-E281 VanDerWaalsContact C-N 3.32Å; F279-E281 PolarHBondContact O-N 3.44Å; F279-Q282 PolarHBondContact O-N 3.16Å; F279-Q283 PolarHBondContact O-N 3.21Å |
| 280 | K | 89.6 | Confident | 86.1 | Confident | 94 Ų | 94 | 123.8 Ų | 123.8 | 41% | 0.409 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.7 | -39.6 | 175.6 | -78.2 | 173.7 | -175.5 | 164.8 | 0 | 111.6 | E276 E277 Q283 R284 | E276-K280 HydrophobicContact CG-CD 4.43Å; E276-K280 WeakPolarHBondContact O-CB 3.46Å; E276-K280 VanDerWaalsContact O-CG 3.32Å; E276-K280 WeakPolarHBondContact O-CG 3.38Å; E276-K280 PolarHBondContact O-N 3.18Å; E276-K280 VanDerWaalsContact OE1-CE 3.26Å; E276-K280 WeakPolarHBondContact OE1-CE 3.26Å; E276-K280 IonicContact OE1-NZ 3.55Å; E276-K280 PolarHBondContact OE1-NZ 2.9Å; E277-K280 PolarHBondContact O-N 2.87Å; K280-Q283 PolarHBondContact O-N 2.88Å; K280-R284 WeakPolarHBondContact O-CG 3.5Å; K280-R284 PolarHBondContact O-N 3.45Å |
| 281 | E | 90.6 | Very high | 85.2 | Confident | 88 Ų | 88 | 123 Ų | 123 | 41% | 0.411 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.3 | -43.1 | 177.3 | -163.9 | -176 | 161 | 0 | 0 | 111.4 | E277 E278 F279 Q283 R284 R285 | E277-E281 WeakPolarHBondContact O-CB 3.45Å; E277-E281 PolarHBondContact O-N 3.24Å; E278-E281 PolarHBondContact O-N 3.49Å; F279-E281 VanDerWaalsContact C-N 3.32Å; F279-E281 PolarHBondContact O-N 3.44Å; E281-Q283 VanDerWaalsContact C-N 3.35Å; E281-Q283 PolarHBondContact O-N 2.92Å; E281-R284 PolarHBondContact O-N 3.46Å; E281-R285 WeakPolarHBondContact O-CG 3.43Å; E281-R285 PolarHBondContact O-N 3.34Å; E281-R285 IonicContact OE1-CZ 3.45Å; E281-R285 IonicContact OE1-NE 3.36Å; E281-R285 PolarHBondContact OE1-NE 3.43Å; E281-R285 IonicContact OE1-NH2 2.73Å; E281-R285 PolarHBondContact OE1-NH2 3.48Å |
| 282 | Q | 89.4 | Confident | 83.9 | Confident | 130 Ų | 130 | 121.4 Ų | 121.4 | 61% | 0.607 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -58 | -46.4 | 172.9 | -74.5 | 179.8 | -33.9 | 0 | 0 | 111.5 | E278 F279 R284 R285 L286 | E278-Q282 WeakPolarHBondContact O-CG 3.47Å; E278-Q282 PolarHBondContact O-N 2.93Å; F279-Q282 PolarHBondContact O-N 3.16Å; Q282-R284 PolarHBondContact O-N 3.29Å; Q282-R285 PolarHBondContact O-N 2.98Å; Q282-L286 PolarHBondContact O-N 2.96Å |
| 283 | Q | 84.4 | Confident | 82.7 | Confident | 111 Ų | 111 | 119.4 Ų | 119.4 | 52% | 0.519 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.4 | -41.9 | 176.9 | -167 | -177 | -51.2 | 0 | 0 | 111.9 | F279 K280 E281 R285 L286 M287 | F279-Q283 PolarHBondContact O-N 3.21Å; K280-Q283 PolarHBondContact O-N 2.88Å; E281-Q283 VanDerWaalsContact C-N 3.35Å; E281-Q283 PolarHBondContact O-N 2.92Å; Q283-R285 PolarHBondContact O-N 2.71Å; Q283-L286 PolarHBondContact O-N 3.43Å; Q283-M287 WeakPolarHBondContact O-CG 3.41Å; Q283-M287 PolarHBondContact O-N 2.95Å |
| 284 | R | 84.9 | Confident | 81.1 | Confident | 167 Ų | 167 | 120.4 Ų | 120.4 | 63% | 0.63 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.1 | -33.8 | 175.2 | -72.3 | 179.9 | -158.3 | 168.8 | 5.8 | 113.1 | K280 E281 Q282 R288 | K280-R284 WeakPolarHBondContact O-CG 3.5Å; K280-R284 PolarHBondContact O-N 3.45Å; E281-R284 PolarHBondContact O-N 3.46Å; Q282-R284 PolarHBondContact O-N 3.29Å; R284-R288 WeakPolarHBondContact O-CG 3.33Å; R284-R288 PolarHBondContact O-N 3.46Å; R284-R288 PolarHBondContact O-NE 2.88Å |
| 285 | R | 86.9 | Confident | 79.4 | Confident | 133 Ų | 133 | 120.8 Ų | 120.8 | 50% | 0.502 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.7 | -47.9 | 173.8 | -72.9 | 177 | -171.8 | -165.7 | 4.2 | 110.2 | E281 Q282 Q283 M287 R288 E289 | E281-R285 WeakPolarHBondContact O-CG 3.43Å; E281-R285 PolarHBondContact O-N 3.34Å; E281-R285 IonicContact OE1-CZ 3.45Å; E281-R285 IonicContact OE1-NE 3.36Å; E281-R285 PolarHBondContact OE1-NE 3.43Å; E281-R285 IonicContact OE1-NH2 2.73Å; E281-R285 PolarHBondContact OE1-NH2 3.48Å; Q282-R285 PolarHBondContact O-N 2.98Å; Q283-R285 PolarHBondContact O-N 2.71Å; R285-M287 PolarHBondContact O-N 3.1Å; R285-R288 WeakPolarHBondContact O-CB 3.32Å; R285-R288 PolarHBondContact O-N 3.28Å; R285-E289 PolarHBondContact O-N 3.45Å |
| 286 | L | 86.2 | Confident | 77.7 | Confident | 96 Ų | 96 | 119.5 Ų | 119.5 | 50% | 0.503 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -60 | -45 | 176.7 | -176 | 66 | 0 | 0 | 0 | 112.4 | Q282 Q283 R288 E289 L290 | Q282-L286 PolarHBondContact O-N 2.96Å; Q283-L286 PolarHBondContact O-N 3.43Å; L286-R288 VanDerWaalsContact C-N 3.28Å; L286-R288 PolarHBondContact O-N 3.12Å; L286-E289 PolarHBondContact O-N 3.42Å; L286-L290 HydrophobicContact CD1-CD1 4.16Å; L286-L290 HydrophobicContact CD1-CG 4.34Å; L286-L290 HydrophobicContact CG-CD1 3.97Å; L286-L290 HydrophobicContact CG-CG 4.49Å; L286-L290 WeakPolarHBondContact O-CG 3.48Å; L286-L290 PolarHBondContact O-N 3.08Å |
| 287 | M | 77.1 | Confident | 76.2 | Confident | 61 Ų | 61 | 120.4 Ų | 120.4 | 30% | 0.3 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -60.7 | -36.6 | 176.9 | -73.3 | -67.1 | -70.1 | 0 | 0 | 112.7 | Q283 R285 Q291 I292 | Q283-M287 WeakPolarHBondContact O-CG 3.41Å; Q283-M287 PolarHBondContact O-N 2.95Å; R285-M287 PolarHBondContact O-N 3.1Å; M287-Q291 PolarHBondContact O-N 3.1Å; M287-I292 HydrophobicContact CE-CB 3.76Å; M287-I292 HydrophobicContact CE-CD1 4.47Å; M287-I292 HydrophobicContact CE-CG2 3.62Å; M287-I292 PolarHBondContact O-N 3.38Å; M287-I292 HydrophobicContact SD-CB 4.42Å; M287-I292 HydrophobicContact SD-CD1 4.22Å |
| 288 | R | 79.6 | Confident | 74.8 | Confident | 172 Ų | 172 | 116.6 Ų | 116.6 | 65% | 0.649 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -68.3 | -42.2 | 173.9 | -79.2 | -174.9 | -73.7 | -179.9 | -2.1 | 112.5 | R284 R285 L286 L290 Q291 | R284-R288 WeakPolarHBondContact O-CG 3.33Å; R284-R288 PolarHBondContact O-N 3.46Å; R284-R288 PolarHBondContact O-NE 2.88Å; R285-R288 WeakPolarHBondContact O-CB 3.32Å; R285-R288 PolarHBondContact O-N 3.28Å; L286-R288 VanDerWaalsContact C-N 3.28Å; L286-R288 PolarHBondContact O-N 3.12Å; R288-L290 VanDerWaalsContact C-N 3.32Å; R288-L290 PolarHBondContact O-N 3.12Å; R288-Q291 PolarHBondContact O-N 3.29Å |
| 289 | E | 79.8 | Confident | 73.7 | Confident | 154 Ų | 154 | 115.3 Ų | 115.3 | 72% | 0.72 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.3 | -37.8 | 176.6 | -75.1 | 177 | -175.1 | 0 | 0 | 112.2 | R285 L286 Q291 | R285-E289 PolarHBondContact O-N 3.45Å; L286-E289 PolarHBondContact O-N 3.42Å; E289-Q291 PolarHBondContact O-N 2.86Å |
| 290 | L | 76.4 | Confident | 73 | Confident | 103 Ų | 103 | 112.1 Ų | 112.1 | 54% | 0.539 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.3 | 0.7 | 178.3 | -66.1 | 173.8 | 0 | 0 | 0 | 114.1 | L286 R288 I292 | L286-L290 HydrophobicContact CD1-CD1 4.16Å; L286-L290 HydrophobicContact CD1-CG 4.34Å; L286-L290 HydrophobicContact CG-CD1 3.97Å; L286-L290 HydrophobicContact CG-CG 4.49Å; L286-L290 WeakPolarHBondContact O-CG 3.48Å; L286-L290 PolarHBondContact O-N 3.08Å; R288-L290 VanDerWaalsContact C-N 3.32Å; R288-L290 PolarHBondContact O-N 3.12Å; L290-I292 HydrophobicContact CB-CD1 3.95Å; L290-I292 HydrophobicContact CB-CG1 3.92Å; L290-I292 HydrophobicContact CD1-CD1 4.22Å; L290-I292 PolarHBondContact O-N 3.47Å; L290-I292 VanDerWaalsContact O-N 3.09Å |
| 291 | Q | 66.1 | Low | 72.8 | Confident | 176 Ų | 176 | 108.2 Ų | 108.2 | 82% | 0.822 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 29.8 | -176.7 | -61.7 | -174.4 | -36.2 | 0 | 0 | 114.1 | M287 R288 E289 E293 | M287-Q291 PolarHBondContact O-N 3.1Å; R288-Q291 PolarHBondContact O-N 3.29Å; E289-Q291 PolarHBondContact O-N 2.86Å; Q291-E293 PolarHBondContact O-N 2.75Å; Q291-E293 VanDerWaalsContact O-N 3.12Å |
| 292 | I | 60.8 | Low | 72.6 | Confident | 89 Ų | 89 | 104 Ų | 104 | 46% | 0.456 | 52% | 0.521 | S | S | . | . | trans | -83.7 | 91.8 | 176.5 | -57.1 | 173.2 | 0 | 0 | 0 | 107.3 | M287 L290 E294 | M287-I292 HydrophobicContact CE-CB 3.76Å; M287-I292 HydrophobicContact CE-CD1 4.47Å; M287-I292 HydrophobicContact CE-CG2 3.62Å; M287-I292 PolarHBondContact O-N 3.38Å; M287-I292 HydrophobicContact SD-CB 4.42Å; M287-I292 HydrophobicContact SD-CD1 4.22Å; L290-I292 HydrophobicContact CB-CD1 3.95Å; L290-I292 HydrophobicContact CB-CG1 3.92Å; L290-I292 HydrophobicContact CD1-CD1 4.22Å; L290-I292 PolarHBondContact O-N 3.47Å; L290-I292 VanDerWaalsContact O-N 3.09Å; I292-E294 PolarHBondContact O-N 3.09Å | ||
| 293 | E | 58.9 | Low | 72.6 | Confident | 144 Ų | 144 | 100.5 Ų | 100.5 | 67% | 0.673 | 51% | 0.508 | S | S | * | . | trans | -63.5 | 127.4 | 167.3 | -72.4 | -175.1 | 159.3 | 0 | 0 | 109.3 | Q291 G295 S296 | Q291-E293 PolarHBondContact O-N 2.75Å; Q291-E293 VanDerWaalsContact O-N 3.12Å; E293-G295 PolarHBondContact O-N 3.38Å; E293-S296 PolarHBondContact O-N 3.36Å; E293-S296 PolarHBondContact O-OG 2.83Å | ||
| 294 | E | 52.3 | Low | 72.7 | Confident | 197 Ų | 197 | 98.7 Ų | 98.7 | 92% | 0.921 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 17.5 | 175.1 | -79.2 | -177.8 | 150.6 | 0 | 0 | 114 | I292 | I292-E294 PolarHBondContact O-N 3.09Š|
| 295 | G | 54.8 | Low | 72.8 | Confident | 57 Ų | 57 | 92.4 Ų | 92.4 | 59% | 0.588 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -151.8 | 9.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | E293 F297 | E293-G295 PolarHBondContact O-N 3.38Å; G295-F297 PolarHBondContact O-N 3.41Å |
| 296 | S | 53.5 | Low | 72.7 | Confident | 60 Ų | 60 | 89.7 Ų | 89.7 | 42% | 0.42 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -73.2 | -6.6 | -176.6 | 60.1 | 0 | 0 | 0 | 0 | 114.7 | E293 | E293-S296 PolarHBondContact O-N 3.36Å; E293-S296 PolarHBondContact O-OG 2.83Å |
| 297 | F | 56.2 | Low | 72.5 | Confident | 123 Ų | 123 | 90 Ų | 90 | 54% | 0.539 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -125.8 | 104.8 | 169.6 | -55.4 | -64.8 | 0 | 0 | 0 | 108.9 | G295 A299 L306 | G295-F297 PolarHBondContact O-N 3.41Å; F297-A299 PolarHBondContact O-N 3.19Å; F297-L306 HydrophobicContact CD1-CB 3.57Å; F297-L306 HydrophobicContact CD1-CD1 4.16Å; F297-L306 HydrophobicContact CD1-CD2 4.2Å; F297-L306 HydrophobicContact CD1-CG 4.19Å; F297-L306 HydrophobicContact CE1-CB 3.43Å; F297-L306 VanDerWaalsContact CE1-CB 3.43Å; F297-L306 HydrophobicContact CE1-CD1 3.69Å; F297-L306 HydrophobicContact CE1-CG 4.08Å; F297-L306 HydrophobicContact CZ-CB 4.48Å; F297-L306 HydrophobicContact CZ-CD1 3.97Å |
| 298 | S | 61.6 | Low | 72.8 | Confident | 52 Ų | 52 | 92.9 Ų | 92.9 | 36% | 0.364 | 50% | 0.498 | S | S | . | . | trans | -58.8 | 143 | 171.3 | 67 | 0 | 0 | 0 | 0 | 108.5 | T300 S301 | S298-T300 WeakPolarHBondContact CB-OG1 3.09Å; S298-T300 PolarHBondContact O-N 3.28Å; S298-T300 PolarHBondContact OG-OG1 3.47Å; S298-S301 WeakPolarHBondContact O-CB 3.49Å; S298-S301 PolarHBondContact O-N 3.42Å; S298-S301 PolarHBondContact OG-N 3.41Å; S298-S301 PolarHBondContact OG-OG 2.84Å | ||
| 299 | A | 67.4 | Low | 73.2 | Confident | 89 Ų | 89 | 89.9 Ų | 89.9 | 74% | 0.736 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -12.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | F297 R310 | F297-A299 PolarHBondContact O-N 3.19Å; A299-R310 PolarHBondContact O-NH1 3.41Å; A299-R310 PolarHBondContact O-NH2 2.91Å |
| 300 | T | 76.3 | Confident | 73.7 | Confident | 59 Ų | 59 | 86 Ų | 86 | 36% | 0.362 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -6.1 | 175 | 58.6 | 0 | 0 | 0 | 0 | 113.9 | S298 E309 R310 | S298-T300 WeakPolarHBondContact CB-OG1 3.09Å; S298-T300 PolarHBondContact O-N 3.28Å; S298-T300 PolarHBondContact OG-OG1 3.47Å; T300-E309 CarbonylContact O-C 3.51Å; T300-E309 WeakPolarHBondContact O-CA 3.49Å; T300-E309 PolarHBondContact OG1-OE1 3.42Å; T300-E309 VanDerWaalsContact OG1-OE1 3.08Å; T300-R310 WeakPolarHBondContact O-CD 3.5Å; T300-R310 VanDerWaalsContact O-CG 3.25Å; T300-R310 WeakPolarHBondContact O-CG 3.45Å; T300-R310 PolarHBondContact O-N 2.77Å |
| 301 | S | 86.2 | Confident | 74.3 | Confident | 12 Ų | 12 | 83.1 Ų | 83.1 | 8% | 0.084 | 46% | 0.459 | C | S | . | . | B | Isolated β-bridge | trans | -69.7 | 140.4 | 179.4 | -75.7 | 0 | 0 | 0 | 0 | 113.3 | S298 V303 R310 | S298-S301 WeakPolarHBondContact O-CB 3.49Å; S298-S301 PolarHBondContact O-N 3.42Å; S298-S301 PolarHBondContact OG-N 3.41Å; S298-S301 PolarHBondContact OG-OG 2.84Å; S301-V303 PolarHBondContact O-N 2.94Å; S301-R310 PolarHBondContact O-NE 3.1Å; S301-R310 PolarHBondContact O-NH2 3.48Å; S301-R310 VanDerWaalsContact O-NH2 3.12Å |
| 302 | C | 86.6 | Confident | 75.4 | Confident | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 42% | 0.423 | C | S | . | . | trans | -53.8 | 125.3 | 173.3 | 172.5 | 0 | 0 | 0 | 0 | 110.5 | V304 L306 R308 C321 C323 | C302-V304 PolarHBondContact O-N 2.94Å; C302-V304 VanDerWaalsContact O-N 3.09Å; C302-V304 PolarHBondContact SG-N 3.06Å; C302-L306 WeakPolarHBondContact O-CA 3.32Å; C302-L306 PolarHBondContact O-N 3.47Å; C302-R308 WeakPolarHBondContact CB-O 3.14Å; C302-R308 PolarHBondContact N-O 3.44Å; C302-C321 WeakPolarHBondContact CA-O 3.46Å; C302-C323 HydrophobicContact CB-CB 4.01Å; C302-C323 PolarHBondContact SG-N 2.89Å | ||
| 303 | V | 88 | Confident | 76.9 | Confident | 56 Ų | 56 | 72.6 Ų | 72.6 | 34% | 0.339 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -12.3 | -177.5 | -52.4 | 0 | 0 | 0 | 0 | 113.5 | S301 C321 P337 | S301-V303 PolarHBondContact O-N 2.94Å; V303-C321 HydrophobicContact CG1-CB 4.13Å; V303-C321 HydrophobicContact CG2-CB 3.96Å; V303-C321 WeakPolarHBondContact CG2-O 3.4Å; V303-C321 PolarHBondContact N-O 2.93Å; V303-P337 HydrophobicContact CG2-CB 3.94Å; V303-P337 HydrophobicContact CG2-CG 4.47Å |
| 304 | V | 87.6 | Confident | 78.5 | Confident | 72 Ų | 72 | 65.8 Ų | 65.8 | 44% | 0.436 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -55.5 | -177.5 | -177.4 | 0 | 0 | 0 | 0 | 111.5 | C302 C326 P337 | C302-V304 PolarHBondContact O-N 2.94Å; C302-V304 VanDerWaalsContact O-N 3.09Å; C302-V304 PolarHBondContact SG-N 3.06Å; V304-C326 HydrophobicContact CB-CB 3.89Å; V304-C326 HydrophobicContact CG1-CB 4.03Å; V304-C326 HydrophobicContact CG2-CB 4.29Å; V304-P337 HydrophobicContact CG2-CG 3.95Å |
| 305 | C | 86.3 | Confident | 80.1 | Confident | 36 Ų | 36 | 58.7 Ų | 58.7 | 24% | 0.243 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -17 | -178 | 68.9 | 0 | 0 | 0 | 0 | 113.5 | S307 C326 | C305-S307 PolarHBondContact O-N 3.35Å; C305-S307 PolarHBondContact O-OG 3.32Å; C305-C326 VanDerWaalsContact CB-SG 3.54Å; C305-C326 VanDerWaalsContact SG-SG 3.64Å |
| 306 | L | 84.2 | Confident | 81.5 | Confident | 75 Ų | 75 | 63.4 Ų | 63.4 | 39% | 0.393 | 35% | 0.353 | S | S | . | . | S | Bend | trans | 57.7 | -0.5 | -176.3 | -58.4 | 173.1 | 0 | 0 | 0 | 115.8 | F297 C302 | F297-L306 HydrophobicContact CD1-CB 3.57Å; F297-L306 HydrophobicContact CD1-CD1 4.16Å; F297-L306 HydrophobicContact CD1-CD2 4.2Å; F297-L306 HydrophobicContact CD1-CG 4.19Å; F297-L306 HydrophobicContact CE1-CB 3.43Å; F297-L306 VanDerWaalsContact CE1-CB 3.43Å; F297-L306 HydrophobicContact CE1-CD1 3.69Å; F297-L306 HydrophobicContact CE1-CG 4.08Å; F297-L306 HydrophobicContact CZ-CB 4.48Å; F297-L306 HydrophobicContact CZ-CD1 3.97Å; C302-L306 WeakPolarHBondContact O-CA 3.32Å; C302-L306 PolarHBondContact O-N 3.47Å |
| 307 | S | 82.7 | Confident | 83.2 | Confident | 103 Ų | 103 | 62 Ų | 62 | 72% | 0.72 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -99.6 | -28.5 | -177.2 | -23.1 | 0 | 0 | 0 | 0 | 114.9 | C305 | C305-S307 PolarHBondContact O-N 3.35Å; C305-S307 PolarHBondContact O-OG 3.32Å |
| 308 | R | 84.5 | Confident | 84.7 | Confident | 122 Ų | 122 | 58.5 Ų | 58.5 | 46% | 0.46 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -113.8 | 151.6 | -176.8 | -72.2 | 179.9 | -72.4 | -131.2 | -6.3 | 110 | C302 C323 | C302-R308 WeakPolarHBondContact CB-O 3.14Å; C302-R308 PolarHBondContact N-O 3.44Å; R308-C323 HydrophobicContact CB-CB 3.95Å; R308-C323 PolarHBondContact NE-SG 3.12Å; R308-C323 VanDerWaalsContact NE-SG 3.36Å |
| 309 | E | 87.3 | Confident | 86.2 | Confident | 109 Ų | 109 | 58.9 Ų | 58.9 | 51% | 0.509 | 34% | 0.338 | S | S | . | . | B | Isolated β-bridge | trans | -68.9 | 154.7 | 175.3 | -59.6 | -161.5 | 139.6 | 0 | 0 | 112.6 | T300 S311 C323 | T300-E309 CarbonylContact O-C 3.51Å; T300-E309 WeakPolarHBondContact O-CA 3.49Å; T300-E309 PolarHBondContact OG1-OE1 3.42Å; T300-E309 VanDerWaalsContact OG1-OE1 3.08Å; E309-S311 PolarHBondContact O-N 3.33Å; E309-C323 VanDerWaalsContact O-CB 3.25Å; E309-C323 WeakPolarHBondContact O-CB 3.11Å |
| 310 | R | 90 | Very high | 87.4 | Confident | 71 Ų | 71 | 57 Ų | 57 | 27% | 0.268 | 32% | 0.317 | S | S | . | . | trans | -70.7 | 124.2 | 176.1 | -60.6 | 152.7 | -179.2 | 174.6 | 22 | 108.9 | A299 T300 S301 V320 | A299-R310 PolarHBondContact O-NH1 3.41Å; A299-R310 PolarHBondContact O-NH2 2.91Å; T300-R310 WeakPolarHBondContact O-CD 3.5Å; T300-R310 VanDerWaalsContact O-CG 3.25Å; T300-R310 WeakPolarHBondContact O-CG 3.45Å; T300-R310 PolarHBondContact O-N 2.77Å; S301-R310 PolarHBondContact O-NE 3.1Å; S301-R310 PolarHBondContact O-NH2 3.48Å; S301-R310 VanDerWaalsContact O-NH2 3.12Å; R310-V320 HydrophobicContact CB-CG1 3.91Å; R310-V320 VanDerWaalsContact CD-O 3.26Å; R310-V320 WeakPolarHBondContact CD-O 3.28Å | ||
| 311 | S | 88.8 | Confident | 88 | Confident | 44 Ų | 44 | 54.2 Ų | 54.2 | 31% | 0.308 | 30% | 0.3 | S | S | . | . | trans | -125.7 | 5 | -174.8 | 69.1 | 0 | 0 | 0 | 0 | 113 | E309 A322 G324 P348 L349 | E309-S311 PolarHBondContact O-N 3.33Å; S311-A322 PolarHBondContact N-O 3.48Å; S311-G324 PolarHBondContact OG-N 2.92Å; S311-G324 VanDerWaalsContact OG-N 3.15Å; S311-P348 WeakPolarHBondContact O-CA 3.39Å; S311-L349 PolarHBondContact O-N 3.25Å | ||
| 312 | L | 88.6 | Confident | 88.2 | Confident | 14 Ų | 14 | 53.6 Ų | 53.6 | 7% | 0.073 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 136.9 | -176.1 | -65.3 | 176.8 | 0 | 0 | 0 | 111.6 | F314 A322 F327 V346 | L312-F314 HydrophobicContact CB-CE1 4.13Å; L312-F314 HydrophobicContact CD1-CE1 4.38Å; L312-A322 PolarHBondContact N-O 3.48Å; L312-F327 HydrophobicContact CD1-CB 3.38Å; L312-F327 HydrophobicContact CD1-CD1 3.85Å; L312-F327 HydrophobicContact CD1-CG 3.68Å; L312-V346 HydrophobicContact CD2-CG2 4.47Å |
| 313 | V | 92.1 | Very high | 88.4 | Confident | 30 Ų | 30 | 53.8 Ų | 53.8 | 18% | 0.182 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 127 | 165.8 | -168.9 | 0 | 0 | 0 | 0 | 108.7 | V320 V346 V347 L349 | V313-V320 HydrophobicContact CB-CG2 4.33Å; V313-V320 HydrophobicContact CG1-CG2 4.15Å; V313-V320 HydrophobicContact CG2-CG2 3.84Å; V313-V346 WeakPolarHBondContact O-CA 3.38Å; V313-V347 PolarHBondContact N-O 2.94Å; V313-V347 PolarHBondContact O-N 2.97Å; V313-L349 HydrophobicContact CG2-CB 4.14Å; V313-L349 HydrophobicContact CG2-CD1 3.4Å; V313-L349 HydrophobicContact CG2-CG 4.39Å |
| 314 | F | 92.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 119 | 173.8 | -60.2 | -20.8 | 0 | 0 | 0 | 109.9 | L312 G318 H319 C321 A322 F327 C336 I343 V346 | L312-F314 HydrophobicContact CB-CE1 4.13Å; L312-F314 HydrophobicContact CD1-CE1 4.38Å; F314-G318 VanDerWaalsContact O-CA 3.27Å; F314-G318 WeakPolarHBondContact O-CA 3.43Å; F314-G318 PolarHBondContact O-N 2.87Å; F314-H319 PolarHBondContact N-O 3.32Å; F314-H319 VanDerWaalsContact N-O 3.14Å; F314-C321 VanDerWaalsContact CE2-SG 3.54Å; F314-A322 HydrophobicContact CE1-CB 4.43Å; F314-A322 HydrophobicContact CE2-CB 4.35Å; F314-A322 HydrophobicContact CZ-CB 3.64Å; F314-F327 HydrophobicContact CD1-CD2 4.43Å; F314-F327 HydrophobicContact CE1-CB 4.36Å; F314-F327 AromaticContact CE1-CD2 3.52Å; F314-F327 HydrophobicContact CE1-CD2 3.52Å; F314-F327 HydrophobicContact CE1-CE2 4.14Å; F314-F327 HydrophobicContact CE1-CG 4.14Å; F314-F327 HydrophobicContact CZ-CB 4.47Å; F314-F327 AromaticContact CZ-CD2 3.82Å; F314-F327 HydrophobicContact CZ-CD2 3.82Å; F314-C336 HydrophobicContact CD2-CB 4.08Å; F314-I343 HydrophobicContact CB-CG1 4.31Å; F314-I343 HydrophobicContact CB-CG2 4.16Å; F314-I343 HydrophobicContact CD1-CD1 4.14Å; F314-I343 HydrophobicContact CD1-CG2 4.07Å; F314-I343 HydrophobicContact CD2-CD1 3.5Å; F314-I343 HydrophobicContact CD2-CG1 3.99Å; F314-I343 HydrophobicContact CE1-CD1 4.11Å; F314-I343 HydrophobicContact CE2-CD1 3.46Å; F314-I343 VanDerWaalsContact CE2-CD1 3.46Å; F314-I343 HydrophobicContact CE2-CG1 4.44Å; F314-I343 HydrophobicContact CG-CD1 3.84Å; F314-I343 HydrophobicContact CG-CG1 4.08Å; F314-I343 HydrophobicContact CG-CG2 4.12Å; F314-I343 HydrophobicContact CZ-CD1 3.76Å; F314-V346 HydrophobicContact CD1-CB 4.39Å; F314-V346 HydrophobicContact CD1-CG1 3.52Å; F314-V346 HydrophobicContact CE1-CG1 3.91Å |
| 315 | L | 85.6 | Confident | 88.8 | Confident | 48 Ų | 48 | 51.3 Ų | 51.3 | 25% | 0.251 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | 162.3 | 178.5 | -62.2 | -178 | 0 | 0 | 0 | 110.5 | C317 R345 V347 | L315-C317 PolarHBondContact O-N 3.45Å; L315-R345 HydrophobicContact CB-CB 4.08Å; L315-R345 WeakPolarHBondContact CB-O 3.44Å; L315-R345 HydrophobicContact CD1-CB 3.71Å; L315-R345 HydrophobicContact CG-CB 4.27Å; L315-R345 PolarHBondContact N-O 2.98Å; L315-V347 HydrophobicContact CD1-CG2 3.7Å; L315-V347 HydrophobicContact CD2-CG2 4.07Å; L315-V347 HydrophobicContact CG-CG2 4Å |
| 316 | E | 85.1 | Confident | 89 | Confident | 156 Ų | 156 | 50.1 Ų | 50.1 | 73% | 0.729 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.4 | -38.1 | -166.7 | -47.8 | -49.1 | 127.2 | 0 | 0 | 115.8 | ||
| 317 | C | 90.1 | Very high | 89.4 | Confident | 31 Ų | 31 | 47.9 Ų | 47.9 | 21% | 0.209 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | -17.5 | 177.3 | 71 | 0 | 0 | 0 | 0 | 115.5 | L315 H319 C339 A341 | L315-C317 PolarHBondContact O-N 3.45Å; C317-H319 VanDerWaalsContact C-N 3.26Å; C317-H319 PolarHBondContact O-N 3.27Å; C317-C339 VanDerWaalsContact CB-SG 3.58Å; C317-A341 HydrophobicContact CB-CB 3.95Å |
| 318 | G | 87.7 | Confident | 89.7 | Confident | 49 Ų | 49 | 50.1 Ų | 50.1 | 51% | 0.505 | 26% | 0.264 | S | S | . | . | trans | 73.3 | 1.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | F314 | F314-G318 VanDerWaalsContact O-CA 3.27Å; F314-G318 WeakPolarHBondContact O-CA 3.43Å; F314-G318 PolarHBondContact O-N 2.87Å | ||
| 319 | H | 92.3 | Very high | 90 | Very high | 61 Ų | 61 | 48.2 Ų | 48.2 | 28% | 0.282 | 28% | 0.275 | S | S | . | . | trans | -73.2 | 131.1 | -177.6 | -72.3 | 107.2 | 0 | 0 | 0 | 112.4 | F314 C317 I338 C339 | F314-H319 PolarHBondContact N-O 3.32Å; F314-H319 VanDerWaalsContact N-O 3.14Å; C317-H319 VanDerWaalsContact C-N 3.26Å; C317-H319 PolarHBondContact O-N 3.27Å; H319-I338 HydrophobicContact CB-CD1 4.33Å; H319-C339 PolarHBondContact ND1-SG 3.5Å | ||
| 320 | V | 91.6 | Very high | 90 | Very high | 49 Ų | 49 | 44.9 Ų | 44.9 | 30% | 0.297 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 91.2 | 170.9 | -170.6 | 0 | 0 | 0 | 0 | 107.3 | R310 V313 L349 | R310-V320 HydrophobicContact CB-CG1 3.91Å; R310-V320 VanDerWaalsContact CD-O 3.26Å; R310-V320 WeakPolarHBondContact CD-O 3.28Å; V313-V320 HydrophobicContact CB-CG2 4.33Å; V313-V320 HydrophobicContact CG1-CG2 4.15Å; V313-V320 HydrophobicContact CG2-CG2 3.84Å; V320-L349 HydrophobicContact CG1-CD1 4.39Å; V320-L349 HydrophobicContact CG1-CD2 4.32Å; V320-L349 HydrophobicContact CG2-CD1 4.35Å |
| 321 | C | 88.9 | Confident | 89.9 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | -15.5 | -169.1 | 67 | 0 | 0 | 0 | 0 | 115.5 | C302 V303 F314 I338 | C302-C321 WeakPolarHBondContact CA-O 3.46Å; V303-C321 HydrophobicContact CG1-CB 4.13Å; V303-C321 HydrophobicContact CG2-CB 3.96Å; V303-C321 WeakPolarHBondContact CG2-O 3.4Å; V303-C321 PolarHBondContact N-O 2.93Å; F314-C321 VanDerWaalsContact CE2-SG 3.54Å; C321-I338 HydrophobicContact CB-CD1 3.37Å; C321-I338 HydrophobicContact CB-CG1 3.79Å |
| 322 | A | 90.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 153 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S311 L312 F314 | S311-A322 PolarHBondContact N-O 3.48Å; L312-A322 PolarHBondContact N-O 3.48Å; F314-A322 HydrophobicContact CE1-CB 4.43Å; F314-A322 HydrophobicContact CE2-CB 4.35Å; F314-A322 HydrophobicContact CZ-CB 3.64Å |
| 323 | C | 91.9 | Very high | 89.7 | Confident | 3 Ų | 3 | 60 Ų | 60 | 2% | 0.02 | 34% | 0.337 | C | S | . | . | trans | -85.3 | 160.1 | 163.8 | 70.7 | 0 | 0 | 0 | 0 | 110.5 | C302 R308 E309 C326 F327 | C302-C323 HydrophobicContact CB-CB 4.01Å; C302-C323 PolarHBondContact SG-N 2.89Å; R308-C323 HydrophobicContact CB-CB 3.95Å; R308-C323 PolarHBondContact NE-SG 3.12Å; R308-C323 VanDerWaalsContact NE-SG 3.36Å; E309-C323 VanDerWaalsContact O-CB 3.25Å; E309-C323 WeakPolarHBondContact O-CB 3.11Å; C323-C326 PolarHBondContact O-N 2.89Å; C323-C326 VanDerWaalsContact O-N 3.12Å; C323-C326 PolarHBondContact SG-SG 3.35Å; C323-F327 PolarHBondContact O-N 3.18Å; C323-F327 VanDerWaalsContact O-N 3.08Å | ||
| 324 | G | 89.9 | Confident | 89.5 | Confident | 17 Ų | 17 | 60.8 Ų | 60.8 | 18% | 0.175 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -44.4 | -57.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | S311 C326 F327 E328 | S311-G324 PolarHBondContact OG-N 2.92Å; S311-G324 VanDerWaalsContact OG-N 3.15Å; G324-C326 VanDerWaalsContact C-N 3.3Å; G324-C326 PolarHBondContact O-N 3.09Å; G324-F327 WeakPolarHBondContact O-CB 3.32Å; G324-F327 PolarHBondContact O-N 3.43Å; G324-F327 VanDerWaalsContact O-N 3.12Å; G324-E328 PolarHBondContact O-N 3.35Å; G324-E328 VanDerWaalsContact O-N 3.1Å |
| 325 | P | 92.8 | Very high | 89.5 | Confident | 60 Ų | 60 | 66.2 Ų | 66.2 | 39% | 0.39 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.9 | -32.9 | -177.6 | -24.2 | 34 | 0 | 0 | 0 | 113.7 | E328 A329 | P325-E328 PolarHBondContact O-N 3.18Å; P325-A329 WeakPolarHBondContact O-CB 3.39Å; P325-A329 PolarHBondContact O-N 3.38Å; P325-A329 VanDerWaalsContact O-N 3.1Å |
| 326 | C | 92.4 | Very high | 89.8 | Confident | 11 Ų | 11 | 64 Ų | 64 | 7% | 0.074 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -71.4 | -32.6 | 177.3 | -73.6 | 0 | 0 | 0 | 0 | 112.2 | V304 C305 C323 G324 L330 | V304-C326 HydrophobicContact CB-CB 3.89Å; V304-C326 HydrophobicContact CG1-CB 4.03Å; V304-C326 HydrophobicContact CG2-CB 4.29Å; C305-C326 VanDerWaalsContact CB-SG 3.54Å; C305-C326 VanDerWaalsContact SG-SG 3.64Å; C323-C326 PolarHBondContact O-N 2.89Å; C323-C326 VanDerWaalsContact O-N 3.12Å; C323-C326 PolarHBondContact SG-SG 3.35Å; G324-C326 VanDerWaalsContact C-N 3.3Å; G324-C326 PolarHBondContact O-N 3.09Å; C326-L330 WeakPolarHBondContact O-CG 3.29Å; C326-L330 PolarHBondContact O-N 2.93Å |
| 327 | F | 91.1 | Very high | 90 | Very high | 28 Ų | 28 | 59.2 Ų | 59.2 | 12% | 0.123 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -70.1 | -36.6 | 173.7 | 167.7 | -102 | 0 | 0 | 0 | 112.4 | L312 F314 C323 G324 A329 L330 K334 I343 V346 | L312-F327 HydrophobicContact CD1-CB 3.38Å; L312-F327 HydrophobicContact CD1-CD1 3.85Å; L312-F327 HydrophobicContact CD1-CG 3.68Å; F314-F327 HydrophobicContact CD1-CD2 4.43Å; F314-F327 HydrophobicContact CE1-CB 4.36Å; F314-F327 AromaticContact CE1-CD2 3.52Å; F314-F327 HydrophobicContact CE1-CD2 3.52Å; F314-F327 HydrophobicContact CE1-CE2 4.14Å; F314-F327 HydrophobicContact CE1-CG 4.14Å; F314-F327 HydrophobicContact CZ-CB 4.47Å; F314-F327 AromaticContact CZ-CD2 3.82Å; F314-F327 HydrophobicContact CZ-CD2 3.82Å; C323-F327 PolarHBondContact O-N 3.18Å; C323-F327 VanDerWaalsContact O-N 3.08Å; G324-F327 WeakPolarHBondContact O-CB 3.32Å; G324-F327 PolarHBondContact O-N 3.43Å; G324-F327 VanDerWaalsContact O-N 3.12Å; F327-A329 VanDerWaalsContact C-N 3.32Å; F327-L330 HydrophobicContact CD2-CD1 4.03Å; F327-L330 WeakPolarHBondContact O-CB 3.45Å; F327-L330 PolarHBondContact O-N 3.37Å; F327-K334 HydrophobicContact CD2-CD 4.16Å; F327-K334 HydrophobicContact CE1-CD 4.22Å; F327-K334 HydrophobicContact CE2-CB 4.41Å; F327-K334 HydrophobicContact CE2-CD 3.44Å; F327-K334 VanDerWaalsContact CE2-CD 3.44Å; F327-K334 HydrophobicContact CZ-CD 3.49Å; F327-K334 VanDerWaalsContact CZ-CD 3.49Å; F327-K334 PolarHBondContact O-NZ 3.25Å; F327-K334 VanDerWaalsContact O-NZ 3.1Å; F327-I343 HydrophobicContact CD2-CD1 4.28Å; F327-I343 HydrophobicContact CE2-CB 4.39Å; F327-I343 HydrophobicContact CE2-CD1 4.1Å; F327-I343 HydrophobicContact CE2-CG2 3.84Å; F327-I343 HydrophobicContact CZ-CG2 4.46Å; F327-V346 HydrophobicContact CD1-CG2 4.37Å; F327-V346 HydrophobicContact CD2-CG1 4.05Å; F327-V346 HydrophobicContact CE1-CG1 4Å; F327-V346 HydrophobicContact CE1-CG2 3.76Å; F327-V346 HydrophobicContact CE2-CG1 3.45Å; F327-V346 VanDerWaalsContact CE2-CG1 3.45Å; F327-V346 HydrophobicContact CZ-CB 4.35Å; F327-V346 HydrophobicContact CZ-CG1 3.42Å; F327-V346 VanDerWaalsContact CZ-CG1 3.42Å; F327-V346 HydrophobicContact CZ-CG2 3.95Å |
| 328 | E | 90.4 | Very high | 90.1 | Very high | 149 Ų | 149 | 62 Ų | 62 | 70% | 0.696 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -65.2 | -37.9 | 174.3 | -73.1 | 176.4 | -175.7 | 0 | 0 | 111.8 | G324 P325 L330 | G324-E328 PolarHBondContact O-N 3.35Å; G324-E328 VanDerWaalsContact O-N 3.1Å; P325-E328 PolarHBondContact O-N 3.18Å; E328-L330 PolarHBondContact O-N 3.49Å |
| 329 | A | 90.1 | Very high | 90.3 | Very high | 82 Ų | 82 | 62.3 Ų | 62.3 | 68% | 0.678 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | P325 F327 Q331 | P325-A329 WeakPolarHBondContact O-CB 3.39Å; P325-A329 PolarHBondContact O-N 3.38Å; P325-A329 VanDerWaalsContact O-N 3.1Å; F327-A329 VanDerWaalsContact C-N 3.32Å; A329-Q331 PolarHBondContact O-N 2.9Å |
| 330 | L | 87.7 | Confident | 90.2 | Very high | 39 Ų | 39 | 69.2 Ų | 69.2 | 20% | 0.204 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -68.2 | 133.5 | 175.9 | -68.8 | 176.3 | 0 | 0 | 0 | 110.5 | C326 F327 E328 K334 I343 | C326-L330 WeakPolarHBondContact O-CG 3.29Å; C326-L330 PolarHBondContact O-N 2.93Å; F327-L330 HydrophobicContact CD2-CD1 4.03Å; F327-L330 WeakPolarHBondContact O-CB 3.45Å; F327-L330 PolarHBondContact O-N 3.37Å; E328-L330 PolarHBondContact O-N 3.49Å; L330-K334 HydrophobicContact CB-CG 4.23Å; L330-I343 HydrophobicContact CD1-CD1 4.11Å |
| 331 | Q | 86.5 | Confident | 90.2 | Very high | 177 Ų | 177 | 68.7 Ų | 68.7 | 83% | 0.827 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 144 | 175.8 | -67.7 | -179.6 | -1.5 | 0 | 0 | 111.3 | A329 P333 K334 | A329-Q331 PolarHBondContact O-N 2.9Å; Q331-P333 CarbonylContact O-C 3.22Å; Q331-K334 PolarHBondContact O-N 3.19Å |
| 332 | E | 86.4 | Confident | 90.3 | Very high | 174 Ų | 174 | 72.2 Ų | 72.2 | 81% | 0.813 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -78.6 | 137.8 | 173.5 | -68.1 | -166 | 169.8 | 0 | 0 | 111.5 | ||
| 333 | P | 87.4 | Confident | 90.3 | Very high | 96 Ų | 96 | 72.9 Ų | 72.9 | 62% | 0.623 | 39% | 0.388 | S | S | * | . | S | Bend | cis | -74.8 | 136.8 | -3.5 | 30.2 | -34.4 | 0 | 0 | 0 | 112.5 | Q331 K335 | Q331-P333 CarbonylContact O-C 3.22Å; P333-K335 PolarHBondContact O-N 3.44Å |
| 334 | K | 88.4 | Confident | 90 | Very high | 47 Ų | 47 | 78.5 Ų | 78.5 | 20% | 0.204 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 128.7 | -174.6 | -61.3 | -169.2 | -179.8 | -165.4 | 0 | 111.5 | F327 L330 Q331 I343 | F327-K334 HydrophobicContact CD2-CD 4.16Å; F327-K334 HydrophobicContact CE1-CD 4.22Å; F327-K334 HydrophobicContact CE2-CB 4.41Å; F327-K334 HydrophobicContact CE2-CD 3.44Å; F327-K334 VanDerWaalsContact CE2-CD 3.44Å; F327-K334 HydrophobicContact CZ-CD 3.49Å; F327-K334 VanDerWaalsContact CZ-CD 3.49Å; F327-K334 PolarHBondContact O-NZ 3.25Å; F327-K334 VanDerWaalsContact O-NZ 3.1Å; L330-K334 HydrophobicContact CB-CG 4.23Å; Q331-K334 PolarHBondContact O-N 3.19Å; K334-I343 HydrophobicContact CB-CB 4.27Å; K334-I343 HydrophobicContact CB-CD1 4.38Å; K334-I343 PolarHBondContact O-N 3.2Å |
| 335 | K | 91.9 | Very high | 89.9 | Confident | 114 Ų | 114 | 85.6 Ų | 85.6 | 50% | 0.496 | 44% | 0.439 | S | S | . | . | B | Isolated β-bridge | trans | -125.6 | 145.2 | 179.3 | -67.5 | -177.5 | -177.8 | -176.3 | 0 | 112.2 | P333 P337 A341 I343 | P333-K335 PolarHBondContact O-N 3.44Å; K335-P337 WeakPolarHBondContact O-CD 3.44Å; K335-A341 CarbonylContact C-O 3.51Å; K335-A341 VanDerWaalsContact CA-O 3.28Å; K335-A341 WeakPolarHBondContact CA-O 3.42Å; K335-I343 VanDerWaalsContact C-CD1 3.48Å |
| 336 | C | 91.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 85 Ų | 85 | 1% | 0.007 | 43% | 0.434 | C | S | . | . | trans | -63 | 126.2 | 176.4 | 178.1 | 0 | 0 | 0 | 0 | 110.8 | F314 I338 C339 R340 A341 I343 | F314-C336 HydrophobicContact CD2-CB 4.08Å; C336-I338 PolarHBondContact O-N 3.36Å; C336-I338 PolarHBondContact SG-N 2.73Å; C336-I338 VanDerWaalsContact SG-N 3.44Å; C336-C339 VanDerWaalsContact SG-SG 3.68Å; C336-R340 WeakPolarHBondContact O-CA 3.32Å; C336-R340 PolarHBondContact O-N 3.49Å; C336-A341 PolarHBondContact N-O 3.45Å; C336-I343 HydrophobicContact CB-CG1 4.45Å | ||
| 337 | P | 90.6 | Very high | 89.7 | Confident | 55 Ų | 55 | 87.5 Ų | 87.5 | 36% | 0.357 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -23.5 | 176.9 | -26.7 | 35.8 | 0 | 0 | 0 | 114.8 | V303 V304 K335 | V303-P337 HydrophobicContact CG2-CB 3.94Å; V303-P337 HydrophobicContact CG2-CG 4.47Å; V304-P337 HydrophobicContact CG2-CG 3.95Å; K335-P337 WeakPolarHBondContact O-CD 3.44Å |
| 338 | I | 91.2 | Very high | 89.6 | Confident | 89 Ų | 89 | 89.7 Ų | 89.7 | 46% | 0.456 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -60.2 | -179.1 | -59.2 | -175.2 | 0 | 0 | 0 | 110.8 | H319 C321 C336 | H319-I338 HydrophobicContact CB-CD1 4.33Å; C321-I338 HydrophobicContact CB-CD1 3.37Å; C321-I338 HydrophobicContact CB-CG1 3.79Å; C336-I338 PolarHBondContact O-N 3.36Å; C336-I338 PolarHBondContact SG-N 2.73Å; C336-I338 VanDerWaalsContact SG-N 3.44Å |
| 339 | C | 91.8 | Very high | 89.2 | Confident | 57 Ų | 57 | 85.5 Ų | 85.5 | 39% | 0.385 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | -3.3 | -171.7 | 67.6 | 0 | 0 | 0 | 0 | 114.8 | C317 H319 C336 A341 | C317-C339 VanDerWaalsContact CB-SG 3.58Å; H319-C339 PolarHBondContact ND1-SG 3.5Å; C336-C339 VanDerWaalsContact SG-SG 3.68Å; C339-A341 PolarHBondContact O-N 2.96Å; C339-A341 VanDerWaalsContact O-N 3.11Å |
| 340 | R | 90.9 | Very high | 88.5 | Confident | 206 Ų | 206 | 91.6 Ų | 91.6 | 78% | 0.777 | 46% | 0.455 | S | S | * | . | trans | 62.2 | 9.9 | -179.9 | -53.1 | -179 | 179.1 | -179.2 | -1 | 115.9 | C336 | C336-R340 WeakPolarHBondContact O-CA 3.32Å; C336-R340 PolarHBondContact O-N 3.49Å | ||
| 341 | A | 91.1 | Very high | 87.3 | Confident | 38 Ų | 38 | 94.6 Ų | 94.6 | 31% | 0.314 | 47% | 0.471 | S | S | . | . | trans | -61.4 | 147.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | C317 K335 C336 C339 | C317-A341 HydrophobicContact CB-CB 3.95Å; K335-A341 CarbonylContact C-O 3.51Å; K335-A341 VanDerWaalsContact CA-O 3.28Å; K335-A341 WeakPolarHBondContact CA-O 3.42Å; C336-A341 PolarHBondContact N-O 3.45Å; C339-A341 PolarHBondContact O-N 2.96Å; C339-A341 VanDerWaalsContact O-N 3.11Å | ||
| 342 | T | 91.3 | Very high | 85.5 | Confident | 73 Ų | 73 | 95.3 Ų | 95.3 | 45% | 0.448 | 50% | 0.496 | S | S | . | . | B | Isolated β-bridge | trans | -65.2 | 137.8 | 174 | 43.4 | 0 | 0 | 0 | 0 | 110.3 | ||
| 343 | I | 90.6 | Very high | 85.5 | Confident | 14 Ų | 14 | 91.4 Ų | 91.4 | 7% | 0.072 | 48% | 0.48 | C | S | . | . | trans | -103.4 | 100.3 | -179.1 | -53.4 | 165.5 | 0 | 0 | 0 | 108.3 | F314 F327 L330 K334 K335 C336 V346 | F314-I343 HydrophobicContact CB-CG1 4.31Å; F314-I343 HydrophobicContact CB-CG2 4.16Å; F314-I343 HydrophobicContact CD1-CD1 4.14Å; F314-I343 HydrophobicContact CD1-CG2 4.07Å; F314-I343 HydrophobicContact CD2-CD1 3.5Å; F314-I343 HydrophobicContact CD2-CG1 3.99Å; F314-I343 HydrophobicContact CE1-CD1 4.11Å; F314-I343 HydrophobicContact CE2-CD1 3.46Å; F314-I343 VanDerWaalsContact CE2-CD1 3.46Å; F314-I343 HydrophobicContact CE2-CG1 4.44Å; F314-I343 HydrophobicContact CG-CD1 3.84Å; F314-I343 HydrophobicContact CG-CG1 4.08Å; F314-I343 HydrophobicContact CG-CG2 4.12Å; F314-I343 HydrophobicContact CZ-CD1 3.76Å; F327-I343 HydrophobicContact CD2-CD1 4.28Å; F327-I343 HydrophobicContact CE2-CB 4.39Å; F327-I343 HydrophobicContact CE2-CD1 4.1Å; F327-I343 HydrophobicContact CE2-CG2 3.84Å; F327-I343 HydrophobicContact CZ-CG2 4.46Å; L330-I343 HydrophobicContact CD1-CD1 4.11Å; K334-I343 HydrophobicContact CB-CB 4.27Å; K334-I343 HydrophobicContact CB-CD1 4.38Å; K334-I343 PolarHBondContact O-N 3.2Å; K335-I343 VanDerWaalsContact C-CD1 3.48Å; C336-I343 HydrophobicContact CB-CG1 4.45Å; I343-V346 HydrophobicContact CG2-CG1 3.45Å; I343-V346 VanDerWaalsContact CG2-CG1 3.45Å | ||
| 344 | D | 85.1 | Confident | 85.4 | Confident | 121 Ų | 121 | 91.1 Ų | 91.1 | 65% | 0.647 | 47% | 0.472 | S | S | * | . | trans | -86.6 | -30.9 | 178.9 | -60.6 | -39.1 | 0 | 0 | 0 | 111.7 | ||||
| 345 | R | 87.9 | Confident | 85.2 | Confident | 166 Ų | 166 | 93.6 Ų | 93.6 | 63% | 0.626 | 49% | 0.487 | S | S | * | . | trans | -145.1 | 146.9 | -177.5 | -60 | 174.2 | 61.8 | -173.8 | -1 | 111.4 | L315 | L315-R345 HydrophobicContact CB-CB 4.08Å; L315-R345 WeakPolarHBondContact CB-O 3.44Å; L315-R345 HydrophobicContact CD1-CB 3.71Å; L315-R345 HydrophobicContact CG-CB 4.27Å; L315-R345 PolarHBondContact N-O 2.98Å | ||
| 346 | V | 90.9 | Very high | 84.8 | Confident | 48 Ų | 48 | 92.4 Ų | 92.4 | 29% | 0.291 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 148.1 | 175.9 | -59 | 0 | 0 | 0 | 0 | 111 | L312 V313 F314 F327 I343 | L312-V346 HydrophobicContact CD2-CG2 4.47Å; V313-V346 WeakPolarHBondContact O-CA 3.38Å; F314-V346 HydrophobicContact CD1-CB 4.39Å; F314-V346 HydrophobicContact CD1-CG1 3.52Å; F314-V346 HydrophobicContact CE1-CG1 3.91Å; F327-V346 HydrophobicContact CD1-CG2 4.37Å; F327-V346 HydrophobicContact CD2-CG1 4.05Å; F327-V346 HydrophobicContact CE1-CG1 4Å; F327-V346 HydrophobicContact CE1-CG2 3.76Å; F327-V346 HydrophobicContact CE2-CG1 3.45Å; F327-V346 VanDerWaalsContact CE2-CG1 3.45Å; F327-V346 HydrophobicContact CZ-CB 4.35Å; F327-V346 HydrophobicContact CZ-CG1 3.42Å; F327-V346 VanDerWaalsContact CZ-CG1 3.42Å; F327-V346 HydrophobicContact CZ-CG2 3.95Å; I343-V346 HydrophobicContact CG2-CG1 3.45Å; I343-V346 VanDerWaalsContact CG2-CG1 3.45Å |
| 347 | V | 90.3 | Very high | 84.3 | Confident | 64 Ų | 64 | 98.1 Ų | 98.1 | 39% | 0.388 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 130.2 | 176.4 | -178.3 | 0 | 0 | 0 | 0 | 109.2 | V313 L315 L349 | V313-V347 PolarHBondContact N-O 2.94Å; V313-V347 PolarHBondContact O-N 2.97Å; L315-V347 HydrophobicContact CD1-CG2 3.7Å; L315-V347 HydrophobicContact CD2-CG2 4.07Å; L315-V347 HydrophobicContact CG-CG2 4Å; V347-L349 PolarHBondContact O-N 3.33Å |
| 348 | P | 88 | Confident | 83.9 | Confident | 73 Ų | 73 | 100.9 Ų | 100.9 | 47% | 0.474 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 130.3 | 172.1 | -19.5 | 31.6 | 0 | 0 | 0 | 111.2 | S311 Y350 | S311-P348 WeakPolarHBondContact O-CA 3.39Å; P348-Y350 HydrophobicContact CB-CE2 4.11Å |
| 349 | L | 83.9 | Confident | 83.4 | Confident | 61 Ų | 61 | 101.8 Ų | 101.8 | 32% | 0.319 | 53% | 0.532 | S | S | . | . | trans | -91.2 | 115.4 | 173.2 | -165.7 | 109.7 | 0 | 0 | 0 | 108.2 | S311 V313 V320 V347 N351 | S311-L349 PolarHBondContact O-N 3.25Å; V313-L349 HydrophobicContact CG2-CB 4.14Å; V313-L349 HydrophobicContact CG2-CD1 3.4Å; V313-L349 HydrophobicContact CG2-CG 4.39Å; V320-L349 HydrophobicContact CG1-CD1 4.39Å; V320-L349 HydrophobicContact CG1-CD2 4.32Å; V320-L349 HydrophobicContact CG2-CD1 4.35Å; V347-L349 PolarHBondContact O-N 3.33Å; L349-N351 WeakPolarHBondContact CD2-OD1 3.49Å | ||
| 350 | Y | 74.7 | Confident | 82.8 | Confident | 210 Ų | 210 | 105.2 Ų | 105.2 | 82% | 0.824 | 54% | 0.544 | S | S | * | . | trans | -91.5 | 105.5 | 171.7 | -69.4 | -86 | 0 | 0 | 0 | 108.3 | P348 | P348-Y350 HydrophobicContact CB-CE2 4.11Š| ||
| 351 | N | 62.8 | Low | 82.1 | Confident | 103 Ų | 103 | 96.8 Ų | 96.8 | 55% | 0.551 | 52% | 0.524 | S | S | * | . | trans | -76.5 | 122.1 | 168.5 | -78.5 | -14.2 | 0 | 0 | 0 | 108.3 | L349 | L349-N351 WeakPolarHBondContact CD2-OD1 3.49Š| ||
| 352 | S | 48.4 | Very low | 81.3 | Confident | 191 Ų | 191 | 102.2 Ų | 102.2 | 100% | 1.336 | 54% | 0.543 | S | S | * | . | trans | -78.7 | 0 | 172.9 | 54.3 | 0 | 0 | 0 | 0 | 112.3 |
Retrieved 352 of 352 residues in 368.6 ms
(Link to these results)