| 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 | 51.5 | Low | 77.7 | Confident | 160 Ų | 160 | 61.6 Ų | 61.6 | 79% | 0.788 | 33% | 0.334 | S | S | * | . | 0 | 164.7 | 0 | -62.3 | -164 | -92 | 0 | 0 | 109.5 | S5 Y6 | M1-S5 VanDerWaalsContact CB-OG 3.28Å; M1-S5 WeakPolarHBondContact CB-OG 3.38Å; M1-Y6 HydrophobicContact CB-CE1 4.38Å; M1-Y6 HydrophobicContact CB-CE2 4.26Å; M1-Y6 HydrophobicContact CE-CE1 3.83Å | |||
| 2 | S | 62.6 | Low | 78.8 | Confident | 78 Ų | 78 | 62.6 Ų | 62.6 | 55% | 0.545 | 34% | 0.339 | S | S | . | . | trans | -79.6 | 155.4 | 179.8 | 63.2 | 0 | 0 | 0 | 0 | 111.2 | S4 S5 | S2-S4 PolarHBondContact O-N 3.38Å; S2-S4 VanDerWaalsContact O-N 3.17Å; S2-S5 PolarHBondContact O-N 2.97Å; S2-S5 PolarHBondContact O-OG 3.43Å | ||
| 3 | Q | 67.9 | Low | 79.8 | Confident | 60 Ų | 60 | 57.8 Ų | 57.8 | 28% | 0.28 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59 | -30 | 179.1 | -69.5 | 167.2 | -17.8 | 0 | 0 | 113.5 | S5 Y6 N7 F413 | Q3-S5 PolarHBondContact O-N 3.29Å; Q3-Y6 PolarHBondContact O-N 2.97Å; Q3-N7 PolarHBondContact O-N 3.14Å; Q3-N7 VanDerWaalsContact O-N 3.08Å; Q3-F413 PolarHBondContact NE2-O 3.04Å; Q3-F413 PolarHBondContact OE1-O 3.31Å |
| 4 | S | 74.1 | Confident | 80.7 | Confident | 87 Ų | 87 | 53.7 Ų | 53.7 | 61% | 0.608 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -58.2 | -35.1 | 173.6 | -174.6 | 0 | 0 | 0 | 0 | 112.3 | S2 Q8 | S2-S4 PolarHBondContact O-N 3.38Å; S2-S4 VanDerWaalsContact O-N 3.17Å; S4-Q8 WeakPolarHBondContact O-CB 3.3Å; S4-Q8 PolarHBondContact O-N 2.87Å |
| 5 | S | 80.8 | Confident | 81.4 | Confident | 31 Ų | 31 | 55.7 Ų | 55.7 | 22% | 0.217 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -70 | -40 | 179.7 | 71.5 | 0 | 0 | 0 | 0 | 111.3 | M1 S2 Q3 Q8 V9 | M1-S5 VanDerWaalsContact CB-OG 3.28Å; M1-S5 WeakPolarHBondContact CB-OG 3.38Å; S2-S5 PolarHBondContact O-N 2.97Å; S2-S5 PolarHBondContact O-OG 3.43Å; Q3-S5 PolarHBondContact O-N 3.29Å; S5-Q8 WeakPolarHBondContact O-CB 3.4Å; S5-Q8 PolarHBondContact O-N 3.22Å; S5-V9 WeakPolarHBondContact O-CG2 3.36Å; S5-V9 PolarHBondContact O-N 3.45Å |
| 6 | Y | 81.8 | Confident | 82 | Confident | 21 Ų | 21 | 55.7 Ų | 55.7 | 8% | 0.082 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -71.3 | -36.3 | 179.7 | -57.1 | -56.5 | 0 | 0 | 0 | 112.6 | M1 Q3 Q8 V9 W10 M63 | M1-Y6 HydrophobicContact CB-CE1 4.38Å; M1-Y6 HydrophobicContact CB-CE2 4.26Å; M1-Y6 HydrophobicContact CE-CE1 3.83Å; Q3-Y6 PolarHBondContact O-N 2.97Å; Y6-Q8 VanDerWaalsContact C-N 3.28Å; Y6-Q8 PolarHBondContact O-N 3.39Å; Y6-V9 PolarHBondContact O-N 3.38Å; Y6-W10 PolarHBondContact O-N 2.88Å; Y6-M63 HydrophobicContact CD1-CB 3.37Å; Y6-M63 HydrophobicContact CD1-CG 3.73Å; Y6-M63 HydrophobicContact CD2-CB 3.97Å; Y6-M63 HydrophobicContact CE1-CB 3.47Å; Y6-M63 VanDerWaalsContact CE1-CB 3.47Å; Y6-M63 HydrophobicContact CE1-CG 3.36Å; Y6-M63 HydrophobicContact CE1-SD 3.89Å; Y6-M63 HydrophobicContact CE2-CB 4.07Å; Y6-M63 HydrophobicContact CG-CB 3.63Å; Y6-M63 HydrophobicContact CG-CG 4.45Å |
| 7 | N | 83.6 | Confident | 82.6 | Confident | 28 Ų | 28 | 52.4 Ų | 52.4 | 15% | 0.15 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.8 | -35.5 | 169.7 | -83.2 | -31.3 | 0 | 0 | 0 | 111.6 | Q3 W10 K11 K69 | Q3-N7 PolarHBondContact O-N 3.14Å; Q3-N7 VanDerWaalsContact O-N 3.08Å; N7-W10 PolarHBondContact O-N 2.59Å; N7-K11 VanDerWaalsContact O-CG 3.3Å; N7-K11 WeakPolarHBondContact O-CG 3.01Å; N7-K11 PolarHBondContact O-N 2.98Å; N7-K69 PolarHBondContact OD1-NZ 2.73Å |
| 8 | Q | 85.9 | Confident | 83.1 | Confident | 92 Ų | 92 | 51.1 Ų | 51.1 | 43% | 0.43 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.5 | -45.7 | 174.5 | -169.4 | 61.9 | 33.6 | 0 | 0 | 111.5 | S4 S5 Y6 W10 K11 D12 | S4-Q8 WeakPolarHBondContact O-CB 3.3Å; S4-Q8 PolarHBondContact O-N 2.87Å; S5-Q8 WeakPolarHBondContact O-CB 3.4Å; S5-Q8 PolarHBondContact O-N 3.22Å; Y6-Q8 VanDerWaalsContact C-N 3.28Å; Y6-Q8 PolarHBondContact O-N 3.39Å; Q8-W10 VanDerWaalsContact C-N 3.25Å; Q8-W10 PolarHBondContact O-N 2.78Å; Q8-K11 WeakPolarHBondContact O-CB 3.18Å; Q8-K11 PolarHBondContact O-N 3.38Å; Q8-K11 VanDerWaalsContact O-N 3.08Å; Q8-D12 PolarHBondContact NE2-OD1 2.86Å; Q8-D12 WeakPolarHBondContact O-CB 2.89Å; Q8-D12 PolarHBondContact O-N 2.89Å |
| 9 | V | 87.6 | Confident | 83.5 | Confident | 29 Ų | 29 | 50.8 Ų | 50.8 | 18% | 0.176 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -56.2 | -42.1 | 175.3 | 173.1 | 0 | 0 | 0 | 0 | 111 | S5 Y6 A13 Q56 | S5-V9 WeakPolarHBondContact O-CG2 3.36Å; S5-V9 PolarHBondContact O-N 3.45Å; Y6-V9 PolarHBondContact O-N 3.38Å; V9-A13 WeakPolarHBondContact O-CB 3.45Å; V9-A13 PolarHBondContact O-N 3.01Å; V9-Q56 HydrophobicContact CG1-CB 4.03Å; V9-Q56 HydrophobicContact CG1-CG 4.47Å |
| 10 | W | 90 | Very high | 83.8 | Confident | 4 Ų | 4 | 48.3 Ų | 48.3 | 2% | 0.015 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.2 | -44.5 | 175.6 | -177.1 | 34.7 | 0 | 0 | 0 | 112.5 | Y6 N7 Q8 D12 A13 M14 A60 L64 K69 L72 I73 Y400 W404 | Y6-W10 PolarHBondContact O-N 2.88Å; N7-W10 PolarHBondContact O-N 2.59Å; Q8-W10 VanDerWaalsContact C-N 3.25Å; Q8-W10 PolarHBondContact O-N 2.78Å; W10-D12 PolarHBondContact O-N 2.99Å; W10-A13 PolarHBondContact O-N 3.28Å; W10-M14 WeakPolarHBondContact O-CG 3.43Å; W10-M14 PolarHBondContact O-N 2.89Å; W10-A60 HydrophobicContact CB-CB 4.04Å; W10-L64 HydrophobicContact CB-CD1 4.39Å; W10-K69 HydrophobicContact CE3-CD 4.1Å; W10-K69 HydrophobicContact CH2-CB 4.19Å; W10-K69 HydrophobicContact CH2-CD 3.99Å; W10-K69 HydrophobicContact CH2-CG 3.78Å; W10-K69 HydrophobicContact CZ3-CB 4.41Å; W10-K69 HydrophobicContact CZ3-CD 3.48Å; W10-K69 VanDerWaalsContact CZ3-CD 3.48Å; W10-K69 VanDerWaalsContact CZ3-CE 3.43Å; W10-K69 HydrophobicContact CZ3-CG 3.83Å; W10-L72 HydrophobicContact CZ2-CD2 4.15Å; W10-I73 HydrophobicContact CD2-CD1 4.06Å; W10-I73 HydrophobicContact CD2-CG1 4.37Å; W10-I73 HydrophobicContact CG-CD1 4.04Å; W10-I73 HydrophobicContact CG-CG1 4.4Å; W10-I73 HydrophobicContact CZ2-CD1 4.45Å; W10-I73 HydrophobicContact CZ2-CG1 4.14Å; W10-Y400 HydrophobicContact CD2-CE2 4.12Å; W10-Y400 AromaticContact CE2-CD2 3.87Å; W10-Y400 AromaticContact CE2-CE2 3.75Å; W10-Y400 HydrophobicContact CE3-CE2 4.24Å; W10-Y400 AromaticContact CH2-CD2 3.78Å; W10-Y400 HydrophobicContact CH2-CD2 3.78Å; W10-Y400 AromaticContact CH2-CE2 3.79Å; W10-Y400 HydrophobicContact CH2-CE2 3.79Å; W10-Y400 AromaticContact CZ2-CD2 3.42Å; W10-Y400 HydrophobicContact CZ2-CD2 3.42Å; W10-Y400 VanDerWaalsContact CZ2-CD2 3.42Å; W10-Y400 AromaticContact CZ2-CE2 3.63Å; W10-Y400 HydrophobicContact CZ2-CE2 3.63Å; W10-Y400 HydrophobicContact CZ3-CD2 4.49Å; W10-Y400 HydrophobicContact CZ3-CE2 4.04Å; W10-W404 HydrophobicContact CH2-CB 3.68Å; W10-W404 AromaticContact CH2-CD1 3.96Å; W10-W404 AromaticContact CH2-CD2 3.92Å; W10-W404 HydrophobicContact CH2-CD2 3.92Å; W10-W404 HydrophobicContact CH2-CE3 4.48Å; W10-W404 AromaticContact CH2-CG 3.55Å; W10-W404 HydrophobicContact CH2-CG 3.55Å; W10-W404 HydrophobicContact CZ2-CG 4.48Å; W10-W404 HydrophobicContact CZ3-CB 4.13Å; W10-W404 HydrophobicContact CZ3-CD2 4.39Å; W10-W404 HydrophobicContact CZ3-CG 4.25Å |
| 11 | K | 89.4 | Confident | 84 | Confident | 88 Ų | 88 | 46.5 Ų | 46.5 | 38% | 0.383 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 176.7 | -75.9 | 177.8 | 177.7 | -169.8 | 0 | 112.2 | N7 Q8 M14 S15 Y400 | N7-K11 VanDerWaalsContact O-CG 3.3Å; N7-K11 WeakPolarHBondContact O-CG 3.01Å; N7-K11 PolarHBondContact O-N 2.98Å; Q8-K11 WeakPolarHBondContact O-CB 3.18Å; Q8-K11 PolarHBondContact O-N 3.38Å; Q8-K11 VanDerWaalsContact O-N 3.08Å; K11-M14 PolarHBondContact O-N 3.24Å; K11-S15 PolarHBondContact O-N 3.04Å; K11-Y400 WeakPolarHBondContact CG-OH 3.48Å |
| 12 | D | 91 | Very high | 85.7 | Confident | 73 Ų | 73 | 42.1 Ų | 42.1 | 39% | 0.39 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.5 | -45 | 178.4 | -64 | -16.8 | 0 | 0 | 0 | 110.3 | Q8 W10 M14 S15 E16 | Q8-D12 PolarHBondContact NE2-OD1 2.86Å; Q8-D12 WeakPolarHBondContact O-CB 2.89Å; Q8-D12 PolarHBondContact O-N 2.89Å; W10-D12 PolarHBondContact O-N 2.99Å; D12-M14 VanDerWaalsContact C-N 3.33Å; D12-M14 PolarHBondContact O-N 3.3Å; D12-S15 PolarHBondContact O-N 3.42Å; D12-E16 PolarHBondContact O-N 3.06Å |
| 13 | A | 91.5 | Very high | 86.8 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.6 | -40.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V9 W10 L17 Q56 L57 | V9-A13 WeakPolarHBondContact O-CB 3.45Å; V9-A13 PolarHBondContact O-N 3.01Å; W10-A13 PolarHBondContact O-N 3.28Å; A13-L17 WeakPolarHBondContact O-CB 3.5Å; A13-L17 PolarHBondContact O-N 2.82Å; A13-Q56 HydrophobicContact CB-CB 3.68Å; A13-L57 HydrophobicContact CB-CD2 3.86Å; A13-L57 HydrophobicContact CB-CG 4.11Å |
| 14 | M | 92 | Very high | 87.5 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -72.3 | -35.4 | 178.8 | -69.9 | -52.3 | -59.3 | 0 | 0 | 113.1 | W10 K11 D12 E16 L17 S18 L57 L76 N397 Y400 | W10-M14 WeakPolarHBondContact O-CG 3.43Å; W10-M14 PolarHBondContact O-N 2.89Å; K11-M14 PolarHBondContact O-N 3.24Å; D12-M14 VanDerWaalsContact C-N 3.33Å; D12-M14 PolarHBondContact O-N 3.3Å; M14-E16 VanDerWaalsContact C-N 3.33Å; M14-L17 HydrophobicContact CE-CD2 4.07Å; M14-L17 PolarHBondContact O-N 3.43Å; M14-L17 HydrophobicContact SD-CD2 4.18Å; M14-S18 WeakPolarHBondContact O-CB 3.5Å; M14-S18 PolarHBondContact O-N 3.14Å; M14-S18 PolarHBondContact O-OG 3.14Å; M14-L57 HydrophobicContact SD-CD2 4.35Å; M14-L76 HydrophobicContact CE-CD1 3.86Å; M14-L76 HydrophobicContact CE-CD2 4.08Å; M14-L76 HydrophobicContact SD-CD1 3.4Å; M14-L76 WeakPolarHBondContact SD-CD1 3.45Å; M14-L76 HydrophobicContact SD-CD2 4.32Å; M14-L76 HydrophobicContact SD-CG 4.45Å; M14-N397 HydrophobicContact CE-CB 4.43Å; M14-N397 WeakPolarHBondContact CE-OD1 3.22Å; M14-Y400 HydrophobicContact CB-CD1 3.79Å; M14-Y400 HydrophobicContact CB-CE1 3.36Å; M14-Y400 HydrophobicContact CB-CE2 4.25Å; M14-Y400 HydrophobicContact CB-CG 4.38Å; M14-Y400 HydrophobicContact CE-CD1 3.65Å; M14-Y400 HydrophobicContact CE-CD2 4.37Å; M14-Y400 HydrophobicContact CE-CE1 4.4Å; M14-Y400 HydrophobicContact CE-CG 3.63Å; M14-Y400 HydrophobicContact CG-CD1 3.87Å; M14-Y400 HydrophobicContact CG-CD2 3.89Å; M14-Y400 HydrophobicContact CG-CE1 3.73Å; M14-Y400 HydrophobicContact CG-CE2 3.75Å; M14-Y400 HydrophobicContact CG-CG 3.94Å; M14-Y400 HydrophobicContact SD-CG 4.41Å |
| 15 | S | 91.5 | Very high | 87.8 | Confident | 84 Ų | 84 | 39.4 Ų | 39.4 | 59% | 0.587 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -61.8 | -45.1 | 173.4 | -174.4 | 0 | 0 | 0 | 0 | 110.7 | K11 D12 S18 S19 | K11-S15 PolarHBondContact O-N 3.04Å; D12-S15 PolarHBondContact O-N 3.42Å; S15-S18 PolarHBondContact O-N 3.4Å; S15-S19 PolarHBondContact O-N 2.86Å; S15-S19 VanDerWaalsContact O-N 3.09Å |
| 16 | E | 91.2 | Very high | 87.6 | Confident | 55 Ų | 55 | 39.9 Ų | 39.9 | 26% | 0.257 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -66.5 | -42.2 | 177.4 | -172.9 | 62.2 | -163.8 | 0 | 0 | 111.7 | D12 M14 S18 S19 L20 R49 V53 | D12-E16 PolarHBondContact O-N 3.06Å; M14-E16 VanDerWaalsContact C-N 3.33Å; E16-S18 PolarHBondContact O-N 3.48Å; E16-S19 WeakPolarHBondContact O-CB 3.32Å; E16-S19 PolarHBondContact O-N 3.49Å; E16-L20 HydrophobicContact CG-CD1 4.5Å; E16-L20 WeakPolarHBondContact O-CG 3.49Å; E16-L20 PolarHBondContact O-N 3.38Å; E16-R49 IonicContact OE1-CZ 2.61Å; E16-R49 IonicContact OE1-NE 3.72Å; E16-R49 PolarHBondContact OE1-NE 3.32Å; E16-R49 IonicContact OE1-NH2 3.41Å; E16-R49 PolarHBondContact OE1-NH2 3.02Å; E16-R49 IonicContact OE2-NH2 3.59Å; E16-V53 HydrophobicContact CB-CG2 3.86Å; E16-V53 HydrophobicContact CG-CG2 3.54Å |
| 17 | L | 91.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.6 | -42.7 | 175.6 | -177.5 | 62.6 | 0 | 0 | 0 | 112.2 | A13 M14 S19 L20 L21 Y50 V53 L76 V80 | A13-L17 WeakPolarHBondContact O-CB 3.5Å; A13-L17 PolarHBondContact O-N 2.82Å; M14-L17 HydrophobicContact CE-CD2 4.07Å; M14-L17 PolarHBondContact O-N 3.43Å; M14-L17 HydrophobicContact SD-CD2 4.18Å; L17-S19 VanDerWaalsContact C-N 3.32Å; L17-S19 PolarHBondContact O-N 2.79Å; L17-L20 PolarHBondContact O-N 3.47Å; L17-L21 HydrophobicContact CD1-CG 4.36Å; L17-L21 HydrophobicContact CG-CD1 4.19Å; L17-L21 HydrophobicContact CG-CG 4.47Å; L17-L21 WeakPolarHBondContact O-CG 3.33Å; L17-L21 PolarHBondContact O-N 2.84Å; L17-Y50 HydrophobicContact CD1-CE1 3.89Å; L17-V53 HydrophobicContact CB-CG1 4.17Å; L17-V53 HydrophobicContact CD1-CG1 4.44Å; L17-L76 HydrophobicContact CD2-CD2 3.68Å; L17-V80 HydrophobicContact CD1-CG2 4.03Å |
| 18 | S | 91.3 | Very high | 85.8 | Confident | 29 Ų | 29 | 49.3 Ų | 49.3 | 20% | 0.203 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.6 | -39.6 | 176.4 | -67.2 | 0 | 0 | 0 | 0 | 111.7 | M14 S15 E16 A22 N397 | M14-S18 WeakPolarHBondContact O-CB 3.5Å; M14-S18 PolarHBondContact O-N 3.14Å; M14-S18 PolarHBondContact O-OG 3.14Å; S15-S18 PolarHBondContact O-N 3.4Å; E16-S18 PolarHBondContact O-N 3.48Å; S18-A22 WeakPolarHBondContact O-CB 3.38Å; S18-A22 PolarHBondContact O-N 2.88Å; S18-A22 VanDerWaalsContact O-N 3.07Å; S18-N397 PolarHBondContact OG-ND2 2.9Å; S18-N397 PolarHBondContact OG-OD1 2.8Å |
| 19 | S | 91.3 | Very high | 85 | Confident | 45 Ų | 45 | 50.3 Ų | 50.3 | 32% | 0.315 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.5 | -44.7 | 173 | -176.2 | 0 | 0 | 0 | 0 | 111.8 | S15 E16 L17 A22 E23 R49 | S15-S19 PolarHBondContact O-N 2.86Å; S15-S19 VanDerWaalsContact O-N 3.09Å; E16-S19 WeakPolarHBondContact O-CB 3.32Å; E16-S19 PolarHBondContact O-N 3.49Å; L17-S19 VanDerWaalsContact C-N 3.32Å; L17-S19 PolarHBondContact O-N 2.79Å; S19-A22 PolarHBondContact O-N 2.97Å; S19-E23 WeakPolarHBondContact O-CG 3.37Å; S19-E23 PolarHBondContact O-N 3.22Å; S19-E23 VanDerWaalsContact O-N 3.13Å; S19-E23 PolarHBondContact OG-OE1 2.93Å; S19-R49 PolarHBondContact OG-NH2 3.39Å |
| 20 | L | 89.9 | Confident | 84.2 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.9 | -42.6 | 179.5 | -72.6 | 171.1 | 0 | 0 | 0 | 112.3 | E16 L17 A22 E23 E24 L46 R49 Y50 V53 | E16-L20 HydrophobicContact CG-CD1 4.5Å; E16-L20 WeakPolarHBondContact O-CG 3.49Å; E16-L20 PolarHBondContact O-N 3.38Å; L17-L20 PolarHBondContact O-N 3.47Å; L20-A22 VanDerWaalsContact C-N 3.33Å; L20-A22 PolarHBondContact O-N 3.19Å; L20-E23 PolarHBondContact O-N 3.29Å; L20-E24 PolarHBondContact O-N 2.8Å; L20-L46 HydrophobicContact CD2-CD2 3.82Å; L20-R49 HydrophobicContact CD1-CB 4.01Å; L20-R49 HydrophobicContact CD2-CB 3.78Å; L20-R49 HydrophobicContact CD2-CG 4.47Å; L20-R49 HydrophobicContact CG-CB 4.41Å; L20-Y50 HydrophobicContact CB-CE1 4.32Å; L20-Y50 HydrophobicContact CB-CE2 4.4Å; L20-Y50 HydrophobicContact CD1-CD1 3.87Å; L20-Y50 HydrophobicContact CD1-CD2 4.2Å; L20-Y50 HydrophobicContact CD1-CE1 3.97Å; L20-Y50 HydrophobicContact CD1-CE2 4.3Å; L20-Y50 HydrophobicContact CD1-CG 4Å; L20-V53 HydrophobicContact CD1-CG2 4.02Å |
| 21 | L | 88 | Confident | 83 | Confident | 11 Ų | 11 | 56.5 Ų | 56.5 | 6% | 0.058 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.9 | -39.3 | 177.1 | -70 | 174.8 | 0 | 0 | 0 | 111.6 | L17 E23 E24 L25 L390 L393 N397 | L17-L21 HydrophobicContact CD1-CG 4.36Å; L17-L21 HydrophobicContact CG-CD1 4.19Å; L17-L21 HydrophobicContact CG-CG 4.47Å; L17-L21 WeakPolarHBondContact O-CG 3.33Å; L17-L21 PolarHBondContact O-N 2.84Å; L21-E23 VanDerWaalsContact C-N 3.3Å; L21-E23 PolarHBondContact O-N 2.93Å; L21-E24 PolarHBondContact O-N 3.48Å; L21-L25 WeakPolarHBondContact O-CB 3.2Å; L21-L25 PolarHBondContact O-N 3.42Å; L21-L390 HydrophobicContact CD2-CD2 3.84Å; L21-L393 HydrophobicContact CD1-CB 4.48Å; L21-L393 HydrophobicContact CD2-CB 4.1Å; L21-N397 HydrophobicContact CD1-CB 3.79Å |
| 22 | A | 86.8 | Confident | 82.2 | Confident | 68 Ų | 68 | 55.7 Ų | 55.7 | 56% | 0.562 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -64.7 | -32.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | S18 S19 L20 | S18-A22 WeakPolarHBondContact O-CB 3.38Å; S18-A22 PolarHBondContact O-N 2.88Å; S18-A22 VanDerWaalsContact O-N 3.07Å; S19-A22 PolarHBondContact O-N 2.97Å; L20-A22 VanDerWaalsContact C-N 3.33Å; L20-A22 PolarHBondContact O-N 3.19Å |
| 23 | E | 85.4 | Confident | 81.5 | Confident | 76 Ų | 76 | 54.7 Ų | 54.7 | 36% | 0.355 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -75.8 | -32.7 | 176.8 | -74.5 | 173.9 | -149.8 | 0 | 0 | 113.7 | S19 L20 L21 R42 R49 | S19-E23 WeakPolarHBondContact O-CG 3.37Å; S19-E23 PolarHBondContact O-N 3.22Å; S19-E23 VanDerWaalsContact O-N 3.13Å; S19-E23 PolarHBondContact OG-OE1 2.93Å; L20-E23 PolarHBondContact O-N 3.29Å; L21-E23 VanDerWaalsContact C-N 3.3Å; L21-E23 PolarHBondContact O-N 2.93Å; E23-R42 PolarHBondContact O-NH2 2.95Å; E23-R49 IonicContact OE1-CZ 3.8Å; E23-R49 IonicContact OE1-NH1 3.24Å; E23-R49 PolarHBondContact OE1-NH1 2.93Å; E23-R49 IonicContact OE1-NH2 3.67Å; E23-R49 IonicContact OE2-NH1 2.7Å; E23-R49 PolarHBondContact OE2-NH1 3.18Å |
| 24 | E | 82.4 | Confident | 80.3 | Confident | 13 Ų | 13 | 64 Ų | 64 | 6% | 0.061 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -89.9 | -27.9 | -179.1 | -70.1 | -163 | 144.6 | 0 | 0 | 113.8 | L20 L21 P26 L46 Y50 R83 M384 L390 | L20-E24 PolarHBondContact O-N 2.8Å; L21-E24 PolarHBondContact O-N 3.48Å; E24-P26 WeakPolarHBondContact O-CD 3.42Å; E24-L46 HydrophobicContact CG-CD1 4.31Å; E24-L46 HydrophobicContact CG-CD2 4.1Å; E24-L46 WeakPolarHBondContact OE1-CD1 3.39Å; E24-Y50 PolarHBondContact OE2-OH 2.9Å; E24-R83 VanDerWaalsContact CD-NH2 3.29Å; E24-R83 IonicContact OE1-CZ 2.74Å; E24-R83 IonicContact OE1-NE 2.93Å; E24-R83 PolarHBondContact OE1-NE 2.82Å; E24-R83 IonicContact OE1-NH2 2.74Å; E24-R83 PolarHBondContact OE1-NH2 2.59Å; E24-R83 IonicContact OE2-CZ 2.83Å; E24-R83 IonicContact OE2-NE 3.5Å; E24-R83 PolarHBondContact OE2-NE 2.58Å; E24-R83 IonicContact OE2-NH2 3.4Å; E24-R83 PolarHBondContact OE2-NH2 3.42Å; E24-M384 HydrophobicContact CG-CE 4.48Å; E24-L390 VanDerWaalsContact OE2-CD2 3.32Å; E24-L390 WeakPolarHBondContact OE2-CD2 3.15Å |
| 25 | L | 79.8 | Confident | 79.6 | Confident | 79 Ų | 79 | 69 Ų | 69 | 41% | 0.414 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -113.5 | 59.4 | 174.9 | -62.7 | 169.1 | 0 | 0 | 0 | 111.4 | L21 L390 | L21-L25 WeakPolarHBondContact O-CB 3.2Å; L21-L25 PolarHBondContact O-N 3.42Å; L25-L390 HydrophobicContact CD2-CD1 4.42Å |
| 26 | P | 77.3 | Confident | 78.8 | Confident | 41 Ų | 41 | 72.2 Ų | 72.2 | 27% | 0.266 | 40% | 0.397 | S | S | . | . | trans | -67.6 | 150.5 | 175.1 | 27.6 | -31.2 | 0 | 0 | 0 | 110.5 | E24 V28 I30 | E24-P26 WeakPolarHBondContact O-CD 3.42Å; P26-V28 WeakPolarHBondContact CG-O 3.48Å; P26-V28 PolarHBondContact O-N 2.9Å; P26-V28 VanDerWaalsContact O-N 3.09Å; P26-I30 HydrophobicContact CG-CD1 3.79Å; P26-I30 HydrophobicContact CG-CG1 3.7Å | ||
| 27 | P | 63.5 | Low | 78.1 | Confident | 139 Ų | 139 | 74.5 Ų | 74.5 | 90% | 0.903 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -62.9 | -18.6 | 179.2 | 25.1 | -34.2 | 0 | 0 | 0 | 113.3 | ||
| 28 | V | 64.3 | Low | 77.7 | Confident | 108 Ų | 108 | 77.4 Ų | 77.4 | 66% | 0.655 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -116.3 | 127.6 | 172.4 | -178.9 | 0 | 0 | 0 | 0 | 108.5 | P26 I30 | P26-V28 WeakPolarHBondContact CG-O 3.48Å; P26-V28 PolarHBondContact O-N 2.9Å; P26-V28 VanDerWaalsContact O-N 3.09Å; V28-I30 PolarHBondContact O-N 2.9Å |
| 29 | P | 69.6 | Low | 77.3 | Confident | 113 Ų | 113 | 76.5 Ų | 76.5 | 73% | 0.734 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 132.8 | 178.6 | 22.4 | -31.3 | 0 | 0 | 0 | 110.8 | ||
| 30 | I | 69.9 | Low | 76.9 | Confident | 63 Ų | 63 | 75.8 Ų | 75.8 | 32% | 0.323 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 130.7 | -178 | -61.6 | 142.5 | 0 | 0 | 0 | 108.8 | P26 V28 R42 | P26-I30 HydrophobicContact CG-CD1 3.79Å; P26-I30 HydrophobicContact CG-CG1 3.7Å; V28-I30 PolarHBondContact O-N 2.9Å; I30-R42 VanDerWaalsContact CG2-NH1 3.31Å |
| 31 | P | 65.7 | Low | 76.7 | Confident | 101 Ų | 101 | 80.3 Ų | 80.3 | 66% | 0.656 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 146 | 177.1 | 25.9 | -33.4 | 0 | 0 | 0 | 111.1 | Q33 | P31-Q33 PolarHBondContact O-N 3.4Š|
| 32 | P | 72.4 | Confident | 76.6 | Confident | 70 Ų | 70 | 83.3 Ų | 83.3 | 46% | 0.455 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -61 | 130.7 | -177.8 | 27.3 | -35.9 | 0 | 0 | 0 | 110.7 | T383 | P32-T383 HydrophobicContact CB-CG2 3.78Š|
| 33 | Q | 75 | Confident | 76.7 | Confident | 52 Ų | 52 | 80.1 Ų | 80.1 | 24% | 0.243 | 42% | 0.421 | C | S | . | . | B | Isolated β-bridge | trans | -86.3 | 125.6 | -171.9 | -164.5 | 148.8 | 28.8 | 0 | 0 | 110.8 | P31 F39 L382 | P31-Q33 PolarHBondContact O-N 3.4Å; Q33-F39 HydrophobicContact CB-CB 4.27Å; Q33-F39 HydrophobicContact CB-CD2 4.11Å; Q33-F39 HydrophobicContact CG-CB 4.26Å; Q33-L382 PolarHBondContact N-O 3.28Å; Q33-L382 PolarHBondContact O-N 3.39Å |
| 34 | R | 68.3 | Low | 76.8 | Confident | 195 Ų | 195 | 76.5 Ų | 76.5 | 74% | 0.736 | 40% | 0.404 | S | S | * | . | trans | -79.2 | -33.3 | -179.1 | -64.9 | -175.6 | 176.8 | 174.7 | -2.4 | 112.6 | R36 | R34-R36 PolarHBondContact O-N 2.86Š| ||
| 35 | D | 76.1 | Confident | 77.2 | Confident | 108 Ų | 108 | 78 Ų | 78 | 58% | 0.578 | 41% | 0.414 | S | S | * | . | trans | -85.9 | 109.1 | -179.3 | -71.8 | -33.1 | 0 | 0 | 0 | 112.3 | V37 V38 F39 | D35-V37 VanDerWaalsContact C-N 3.27Å; D35-V37 PolarHBondContact O-N 3.39Å; D35-V38 HydrophobicContact CB-CB 4.11Å; D35-V38 HydrophobicContact CB-CG2 3.8Å; D35-V38 PolarHBondContact O-N 3.33Å; D35-F39 WeakPolarHBondContact O-CB 3.25Å; D35-F39 PolarHBondContact O-N 3.31Å | ||
| 36 | R | 74.4 | Confident | 77.8 | Confident | 151 Ų | 151 | 74.4 Ų | 74.4 | 57% | 0.57 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -56.4 | -36.9 | 177.5 | -74.3 | 179.4 | 179.9 | -170.5 | 1.7 | 113.6 | R34 F40 L382 | R34-R36 PolarHBondContact O-N 2.86Å; R36-F40 WeakPolarHBondContact O-CB 3.45Å; R36-F40 PolarHBondContact O-N 3.07Å; R36-L382 HydrophobicContact CB-CD1 4.44Å; R36-L382 HydrophobicContact CG-CD1 3.49Å; R36-L382 VanDerWaalsContact CG-CD1 3.49Å |
| 37 | V | 77.9 | Confident | 78.5 | Confident | 102 Ų | 102 | 73.1 Ų | 73.1 | 62% | 0.618 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -69.4 | -46.2 | -178.6 | 179.7 | 0 | 0 | 0 | 0 | 110.7 | D35 F40 Q41 | D35-V37 VanDerWaalsContact C-N 3.27Å; D35-V37 PolarHBondContact O-N 3.39Å; V37-F40 PolarHBondContact O-N 2.83Å; V37-Q41 WeakPolarHBondContact O-CB 3.4Å; V37-Q41 WeakPolarHBondContact O-CG 3.23Å; V37-Q41 PolarHBondContact O-N 3.19Å |
| 38 | V | 82.1 | Confident | 79.9 | Confident | 61 Ų | 61 | 66.5 Ų | 66.5 | 37% | 0.37 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67.5 | -40.5 | 179.6 | -172.4 | 0 | 0 | 0 | 0 | 110.5 | D35 F40 Q41 R42 | D35-V38 HydrophobicContact CB-CB 4.11Å; D35-V38 HydrophobicContact CB-CG2 3.8Å; D35-V38 PolarHBondContact O-N 3.33Å; V38-F40 PolarHBondContact O-N 2.79Å; V38-Q41 PolarHBondContact O-N 3.02Å; V38-R42 PolarHBondContact O-N 3.45Å |
| 39 | F | 82.6 | Confident | 81.3 | Confident | 10 Ų | 10 | 62.8 Ų | 62.8 | 4% | 0.044 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59 | -46.6 | 174 | 180 | -99.9 | 0 | 0 | 0 | 111.8 | Q33 D35 R42 L43 K94 L382 M384 | Q33-F39 HydrophobicContact CB-CB 4.27Å; Q33-F39 HydrophobicContact CB-CD2 4.11Å; Q33-F39 HydrophobicContact CG-CB 4.26Å; D35-F39 WeakPolarHBondContact O-CB 3.25Å; D35-F39 PolarHBondContact O-N 3.31Å; F39-R42 WeakPolarHBondContact O-CB 3.42Å; F39-R42 PolarHBondContact O-N 3.19Å; F39-L43 HydrophobicContact CD1-CD1 3.87Å; F39-L43 HydrophobicContact CD1-CG 4.49Å; F39-L43 HydrophobicContact CE1-CD1 3.27Å; F39-L43 HydrophobicContact CE1-CG 4.07Å; F39-L43 HydrophobicContact CZ-CD1 3.72Å; F39-L43 HydrophobicContact CZ-CG 4.18Å; F39-L43 PolarHBondContact O-N 3.32Å; F39-K94 HydrophobicContact CE1-CD 4.43Å; F39-K94 HydrophobicContact CE1-CG 4.28Å; F39-L382 HydrophobicContact CD1-CB 4.14Å; F39-L382 HydrophobicContact CD1-CD2 4.41Å; F39-L382 HydrophobicContact CD2-CB 4.01Å; F39-L382 HydrophobicContact CE1-CB 4.21Å; F39-L382 HydrophobicContact CE1-CD2 4.33Å; F39-L382 HydrophobicContact CE2-CB 4.11Å; F39-L382 HydrophobicContact CG-CB 4.03Å; F39-L382 HydrophobicContact CZ-CB 4.21Å; F39-M384 HydrophobicContact CE2-CG 4.07Å; F39-M384 HydrophobicContact CZ-CG 4.29Å |
| 40 | F | 82.8 | Confident | 82.4 | Confident | 31 Ų | 31 | 57.4 Ų | 57.4 | 14% | 0.136 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.9 | -41.4 | 177.8 | -179.3 | -96.9 | 0 | 0 | 0 | 112.5 | R36 V37 V38 R42 L43 A44 M91 E95 H100 | R36-F40 WeakPolarHBondContact O-CB 3.45Å; R36-F40 PolarHBondContact O-N 3.07Å; V37-F40 PolarHBondContact O-N 2.83Å; V38-F40 PolarHBondContact O-N 2.79Å; F40-R42 VanDerWaalsContact C-N 3.26Å; F40-R42 PolarHBondContact O-N 3.17Å; F40-L43 PolarHBondContact O-N 2.95Å; F40-A44 HydrophobicContact CD1-CB 4.5Å; F40-A44 HydrophobicContact CE1-CB 4.04Å; F40-A44 HydrophobicContact CZ-CB 4.19Å; F40-A44 VanDerWaalsContact O-CB 3.29Å; F40-A44 WeakPolarHBondContact O-CB 3.3Å; F40-A44 PolarHBondContact O-N 3.44Å; F40-M91 HydrophobicContact CE2-CB 4.13Å; F40-M91 HydrophobicContact CE2-CE 3.69Å; F40-M91 HydrophobicContact CE2-CG 4.06Å; F40-M91 HydrophobicContact CZ-CE 3.53Å; F40-E95 WeakPolarHBondContact CD1-OE1 3.45Å; F40-E95 HydrophobicContact CD2-CG 3.55Å; F40-E95 WeakPolarHBondContact CE1-OE1 3.42Å; F40-E95 HydrophobicContact CE2-CG 3.36Å; F40-E95 WeakPolarHBondContact CE2-OE1 3.32Å; F40-E95 HydrophobicContact CG-CG 4.27Å; F40-E95 HydrophobicContact CZ-CG 3.95Å; F40-E95 WeakPolarHBondContact CZ-OE1 3.45Å; F40-H100 AromaticContact CE2-CD2 3.78Å; F40-H100 AromaticContact CZ-CD2 3.68Å |
| 41 | Q | 85.8 | Confident | 83.5 | Confident | 95 Ų | 95 | 54.5 Ų | 54.5 | 44% | 0.444 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.1 | -40.7 | 174.4 | -78.5 | 178.6 | -18.3 | 0 | 0 | 111.4 | V37 V38 T45 | V37-Q41 WeakPolarHBondContact O-CB 3.4Å; V37-Q41 WeakPolarHBondContact O-CG 3.23Å; V37-Q41 PolarHBondContact O-N 3.19Å; V38-Q41 PolarHBondContact O-N 3.02Å; Q41-T45 VanDerWaalsContact O-CB 3.31Å; Q41-T45 WeakPolarHBondContact O-CB 3.22Å; Q41-T45 PolarHBondContact O-N 3.28Å; Q41-T45 PolarHBondContact O-OG1 2.95Å |
| 42 | R | 87 | Confident | 84.8 | Confident | 73 Ų | 73 | 51.7 Ų | 51.7 | 28% | 0.275 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.4 | -50.5 | 174.2 | -175 | 179.5 | 179.5 | 173.5 | 2.4 | 111.8 | E23 I30 V38 F39 F40 A44 T45 L46 | E23-R42 PolarHBondContact O-NH2 2.95Å; I30-R42 VanDerWaalsContact CG2-NH1 3.31Å; V38-R42 PolarHBondContact O-N 3.45Å; F39-R42 WeakPolarHBondContact O-CB 3.42Å; F39-R42 PolarHBondContact O-N 3.19Å; F40-R42 VanDerWaalsContact C-N 3.26Å; F40-R42 PolarHBondContact O-N 3.17Å; R42-A44 PolarHBondContact O-N 3.43Å; R42-T45 PolarHBondContact O-N 2.86Å; R42-L46 HydrophobicContact CG-CD1 4.21Å; R42-L46 WeakPolarHBondContact O-CG 3.33Å; R42-L46 PolarHBondContact O-N 3.1Å |
| 43 | L | 87.9 | Confident | 85.8 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.5 | -45.9 | 177.5 | -78.2 | 177.8 | 0 | 0 | 0 | 112.4 | F39 F40 T45 L46 Y47 L87 E90 M91 M384 | F39-L43 HydrophobicContact CD1-CD1 3.87Å; F39-L43 HydrophobicContact CD1-CG 4.49Å; F39-L43 HydrophobicContact CE1-CD1 3.27Å; F39-L43 HydrophobicContact CE1-CG 4.07Å; F39-L43 HydrophobicContact CZ-CD1 3.72Å; F39-L43 HydrophobicContact CZ-CG 4.18Å; F39-L43 PolarHBondContact O-N 3.32Å; F40-L43 PolarHBondContact O-N 2.95Å; L43-T45 VanDerWaalsContact C-N 3.34Å; L43-T45 PolarHBondContact O-N 3.35Å; L43-L46 PolarHBondContact O-N 3.09Å; L43-Y47 WeakPolarHBondContact O-CB 3.49Å; L43-Y47 PolarHBondContact O-N 3.46Å; L43-L87 HydrophobicContact CD2-CD2 4.04Å; L43-E90 HydrophobicContact CD1-CG 3.98Å; L43-E90 HydrophobicContact CD2-CG 4.49Å; L43-M91 HydrophobicContact CB-CG 4.31Å; L43-M384 HydrophobicContact CD2-CG 4.09Å; L43-M384 HydrophobicContact CD2-SD 3.88Å |
| 44 | A | 88.8 | Confident | 86.7 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66 | -36.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | F40 R42 Y47 V48 M91 V102 I105 | F40-A44 HydrophobicContact CD1-CB 4.5Å; F40-A44 HydrophobicContact CE1-CB 4.04Å; F40-A44 HydrophobicContact CZ-CB 4.19Å; F40-A44 VanDerWaalsContact O-CB 3.29Å; F40-A44 WeakPolarHBondContact O-CB 3.3Å; F40-A44 PolarHBondContact O-N 3.44Å; R42-A44 PolarHBondContact O-N 3.43Å; A44-Y47 PolarHBondContact O-N 3.09Å; A44-V48 WeakPolarHBondContact O-CG2 3.32Å; A44-V48 PolarHBondContact O-N 3.49Å; A44-M91 HydrophobicContact CB-CE 3.82Å; A44-V102 HydrophobicContact CB-CG1 4.07Å; A44-I105 HydrophobicContact CB-CD1 3.33Å |
| 45 | T | 91 | Very high | 87.9 | Confident | 45 Ų | 45 | 40.8 Ų | 40.8 | 28% | 0.276 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -65.1 | -46 | 175 | -57.4 | 0 | 0 | 0 | 0 | 111.1 | Q41 R42 L43 Y47 V48 R49 | Q41-T45 VanDerWaalsContact O-CB 3.31Å; Q41-T45 WeakPolarHBondContact O-CB 3.22Å; Q41-T45 PolarHBondContact O-N 3.28Å; Q41-T45 PolarHBondContact O-OG1 2.95Å; R42-T45 PolarHBondContact O-N 2.86Å; L43-T45 VanDerWaalsContact C-N 3.34Å; L43-T45 PolarHBondContact O-N 3.35Å; T45-Y47 VanDerWaalsContact C-N 3.35Å; T45-Y47 PolarHBondContact O-N 2.95Å; T45-V48 PolarHBondContact O-N 3.2Å; T45-R49 HydrophobicContact CG2-CG 4.5Å; T45-R49 WeakPolarHBondContact O-CG 3.19Å; T45-R49 PolarHBondContact O-N 2.94Å |
| 46 | L | 91.5 | Very high | 88.6 | Confident | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59 | -46.6 | 174.6 | -70.8 | 167.1 | 0 | 0 | 0 | 111 | L20 E24 R42 L43 V48 R49 Y50 L87 M384 | L20-L46 HydrophobicContact CD2-CD2 3.82Å; E24-L46 HydrophobicContact CG-CD1 4.31Å; E24-L46 HydrophobicContact CG-CD2 4.1Å; E24-L46 WeakPolarHBondContact OE1-CD1 3.39Å; R42-L46 HydrophobicContact CG-CD1 4.21Å; R42-L46 WeakPolarHBondContact O-CG 3.33Å; R42-L46 PolarHBondContact O-N 3.1Å; L43-L46 PolarHBondContact O-N 3.09Å; L46-V48 PolarHBondContact O-N 2.99Å; L46-R49 PolarHBondContact O-N 3.46Å; L46-Y50 VanDerWaalsContact O-CD2 3.26Å; L46-Y50 WeakPolarHBondContact O-CD2 3.36Å; L46-Y50 PolarHBondContact O-N 3.16Å; L46-L87 HydrophobicContact CB-CD1 4.21Å; L46-M384 HydrophobicContact CD1-SD 4.04Å |
| 47 | Y | 92.5 | Very high | 89.5 | Confident | 13 Ų | 13 | 31.3 Ų | 31.3 | 5% | 0.051 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -56.4 | -48.6 | 176.9 | 172.7 | -96.2 | 0 | 0 | 0 | 112.1 | L43 A44 T45 Y50 V51 V84 L87 K88 M91 | L43-Y47 WeakPolarHBondContact O-CB 3.49Å; L43-Y47 PolarHBondContact O-N 3.46Å; A44-Y47 PolarHBondContact O-N 3.09Å; T45-Y47 VanDerWaalsContact C-N 3.35Å; T45-Y47 PolarHBondContact O-N 2.95Å; Y47-Y50 PolarHBondContact O-N 3.18Å; Y47-V51 HydrophobicContact CD1-CG2 4.44Å; Y47-V51 HydrophobicContact CD2-CG2 4.46Å; Y47-V51 HydrophobicContact CE1-CG2 4.03Å; Y47-V51 HydrophobicContact CE2-CG2 4.07Å; Y47-V51 VanDerWaalsContact O-CG2 3.27Å; Y47-V51 WeakPolarHBondContact O-CG2 2.99Å; Y47-V51 PolarHBondContact O-N 3.38Å; Y47-V84 HydrophobicContact CD2-CG1 4.3Å; Y47-V84 HydrophobicContact CE2-CG1 3.75Å; Y47-L87 HydrophobicContact CD2-CB 4.29Å; Y47-K88 HydrophobicContact CD2-CB 4.42Å; Y47-K88 HydrophobicContact CE2-CB 3.98Å; Y47-K88 HydrophobicContact CE2-CD 4.24Å; Y47-M91 HydrophobicContact CD1-SD 4.28Å; Y47-M91 HydrophobicContact CD2-SD 4.29Å; Y47-M91 HydrophobicContact CG-SD 3.84Å |
| 48 | V | 92.3 | Very high | 90.1 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.006 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.5 | -44.7 | 179.7 | 175.4 | 0 | 0 | 0 | 0 | 111.2 | A44 T45 L46 V51 Q52 V102 I105 L106 L109 L111 L116 | A44-V48 WeakPolarHBondContact O-CG2 3.32Å; A44-V48 PolarHBondContact O-N 3.49Å; T45-V48 PolarHBondContact O-N 3.2Å; L46-V48 PolarHBondContact O-N 2.99Å; V48-V51 PolarHBondContact O-N 3.18Å; V48-Q52 WeakPolarHBondContact O-CG 3.32Å; V48-Q52 PolarHBondContact O-N 3.46Å; V48-V102 HydrophobicContact CG2-CB 4.47Å; V48-V102 HydrophobicContact CG2-CG2 4.04Å; V48-I105 HydrophobicContact CB-CG2 4.44Å; V48-I105 HydrophobicContact CG2-CG2 4.25Å; V48-L106 HydrophobicContact CG1-CD2 4.42Å; V48-L109 HydrophobicContact CB-CD1 4.25Å; V48-L109 HydrophobicContact CG1-CD1 3.69Å; V48-L111 HydrophobicContact CG1-CD1 3.81Å; V48-L116 HydrophobicContact CG1-CD2 4.16Å; V48-L116 HydrophobicContact CG2-CD2 3.83Å |
| 49 | R | 93.1 | Very high | 90.4 | Very high | 30 Ų | 30 | 28.3 Ų | 28.3 | 11% | 0.113 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63 | -44 | 178.6 | -68.5 | 176.6 | 71.9 | -174.7 | 3.9 | 111.9 | E16 S19 L20 E23 T45 L46 V51 Q52 V53 L109 | E16-R49 IonicContact OE1-CZ 2.61Å; E16-R49 IonicContact OE1-NE 3.72Å; E16-R49 PolarHBondContact OE1-NE 3.32Å; E16-R49 IonicContact OE1-NH2 3.41Å; E16-R49 PolarHBondContact OE1-NH2 3.02Å; E16-R49 IonicContact OE2-NH2 3.59Å; S19-R49 PolarHBondContact OG-NH2 3.39Å; L20-R49 HydrophobicContact CD1-CB 4.01Å; L20-R49 HydrophobicContact CD2-CB 3.78Å; L20-R49 HydrophobicContact CD2-CG 4.47Å; L20-R49 HydrophobicContact CG-CB 4.41Å; E23-R49 IonicContact OE1-CZ 3.8Å; E23-R49 IonicContact OE1-NH1 3.24Å; E23-R49 PolarHBondContact OE1-NH1 2.93Å; E23-R49 IonicContact OE1-NH2 3.67Å; E23-R49 IonicContact OE2-NH1 2.7Å; E23-R49 PolarHBondContact OE2-NH1 3.18Å; T45-R49 HydrophobicContact CG2-CG 4.5Å; T45-R49 WeakPolarHBondContact O-CG 3.19Å; T45-R49 PolarHBondContact O-N 2.94Å; L46-R49 PolarHBondContact O-N 3.46Å; R49-V51 VanDerWaalsContact C-N 3.33Å; R49-V51 PolarHBondContact O-N 3.17Å; R49-Q52 WeakPolarHBondContact O-CB 3.3Å; R49-Q52 PolarHBondContact O-N 2.93Å; R49-Q52 VanDerWaalsContact O-N 3.13Å; R49-V53 WeakPolarHBondContact O-CG2 3.37Å; R49-V53 PolarHBondContact O-N 2.88Å; R49-L109 HydrophobicContact CG-CD1 4.32Å |
| 50 | Y | 94 | Very high | 90.7 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.9 | -35.4 | 174.3 | -84.7 | -68.4 | 0 | 0 | 0 | 112.8 | L17 L20 E24 L46 Y47 Q52 V53 F54 V80 R83 L87 | L17-Y50 HydrophobicContact CD1-CE1 3.89Å; L20-Y50 HydrophobicContact CB-CE1 4.32Å; L20-Y50 HydrophobicContact CB-CE2 4.4Å; L20-Y50 HydrophobicContact CD1-CD1 3.87Å; L20-Y50 HydrophobicContact CD1-CD2 4.2Å; L20-Y50 HydrophobicContact CD1-CE1 3.97Å; L20-Y50 HydrophobicContact CD1-CE2 4.3Å; L20-Y50 HydrophobicContact CD1-CG 4Å; E24-Y50 PolarHBondContact OE2-OH 2.9Å; L46-Y50 VanDerWaalsContact O-CD2 3.26Å; L46-Y50 WeakPolarHBondContact O-CD2 3.36Å; L46-Y50 PolarHBondContact O-N 3.16Å; Y47-Y50 PolarHBondContact O-N 3.18Å; Y50-Q52 VanDerWaalsContact C-N 3.31Å; Y50-Q52 PolarHBondContact O-N 3.31Å; Y50-V53 PolarHBondContact O-N 3.27Å; Y50-F54 VanDerWaalsContact O-CB 3.29Å; Y50-F54 WeakPolarHBondContact O-CB 3.4Å; Y50-F54 PolarHBondContact O-N 2.98Å; Y50-V80 HydrophobicContact CD1-CG1 4.18Å; Y50-R83 HydrophobicContact CD1-CG 4.4Å; Y50-R83 HydrophobicContact CD2-CG 4.17Å; Y50-R83 HydrophobicContact CE1-CG 4.09Å; Y50-R83 HydrophobicContact CE2-CG 3.84Å; Y50-R83 HydrophobicContact CG-CG 4.44Å; Y50-L87 HydrophobicContact CD2-CD1 3.47Å; Y50-L87 VanDerWaalsContact CD2-CD1 3.47Å; Y50-L87 HydrophobicContact CE2-CD1 3.97Å; Y50-L87 HydrophobicContact CG-CD1 4.34Å |
| 51 | V | 92.9 | Very high | 91 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.006 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.3 | -36.4 | 173.2 | 169.3 | 0 | 0 | 0 | 0 | 111.3 | Y47 V48 R49 F54 R55 V84 | Y47-V51 HydrophobicContact CD1-CG2 4.44Å; Y47-V51 HydrophobicContact CD2-CG2 4.46Å; Y47-V51 HydrophobicContact CE1-CG2 4.03Å; Y47-V51 HydrophobicContact CE2-CG2 4.07Å; Y47-V51 VanDerWaalsContact O-CG2 3.27Å; Y47-V51 WeakPolarHBondContact O-CG2 2.99Å; Y47-V51 PolarHBondContact O-N 3.38Å; V48-V51 PolarHBondContact O-N 3.18Å; R49-V51 VanDerWaalsContact C-N 3.33Å; R49-V51 PolarHBondContact O-N 3.17Å; V51-F54 WeakPolarHBondContact O-CB 3.4Å; V51-F54 PolarHBondContact O-N 3.2Å; V51-R55 WeakPolarHBondContact O-CG 3.23Å; V51-R55 PolarHBondContact O-N 3.46Å; V51-V84 HydrophobicContact CG2-CG1 4.06Å; V51-V84 HydrophobicContact CG2-CG2 4.35Å |
| 52 | Q | 92.5 | Very high | 91 | Very high | 42 Ų | 42 | 23.8 Ų | 23.8 | 20% | 0.196 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -66.4 | -47.2 | 174.3 | -65.5 | 176.8 | -76.5 | 0 | 0 | 111.9 | V48 R49 Y50 F54 R55 Q56 L111 | V48-Q52 WeakPolarHBondContact O-CG 3.32Å; V48-Q52 PolarHBondContact O-N 3.46Å; R49-Q52 WeakPolarHBondContact O-CB 3.3Å; R49-Q52 PolarHBondContact O-N 2.93Å; R49-Q52 VanDerWaalsContact O-N 3.13Å; Y50-Q52 VanDerWaalsContact C-N 3.31Å; Y50-Q52 PolarHBondContact O-N 3.31Å; Q52-F54 VanDerWaalsContact C-N 3.27Å; Q52-F54 PolarHBondContact O-N 3.46Å; Q52-R55 WeakPolarHBondContact O-CB 3.24Å; Q52-R55 PolarHBondContact O-N 3.47Å; Q52-R55 VanDerWaalsContact O-N 3.16Å; Q52-Q56 WeakPolarHBondContact O-CG 3.38Å; Q52-Q56 PolarHBondContact O-N 3.08Å; Q52-L111 HydrophobicContact CG-CD1 4.06Å |
| 53 | V | 93.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -57.7 | -44.5 | 174.9 | 173.7 | 0 | 0 | 0 | 0 | 110.2 | E16 L17 L20 R49 Y50 R55 Q56 L57 V80 | E16-V53 HydrophobicContact CB-CG2 3.86Å; E16-V53 HydrophobicContact CG-CG2 3.54Å; L17-V53 HydrophobicContact CB-CG1 4.17Å; L17-V53 HydrophobicContact CD1-CG1 4.44Å; L20-V53 HydrophobicContact CD1-CG2 4.02Å; R49-V53 WeakPolarHBondContact O-CG2 3.37Å; R49-V53 PolarHBondContact O-N 2.88Å; Y50-V53 PolarHBondContact O-N 3.27Å; V53-R55 VanDerWaalsContact C-N 3.32Å; V53-R55 PolarHBondContact O-N 3.4Å; V53-Q56 PolarHBondContact O-N 3.48Å; V53-L57 HydrophobicContact CG1-CD1 3.76Å; V53-L57 HydrophobicContact CG1-CG 4.1Å; V53-L57 WeakPolarHBondContact O-CB 3.2Å; V53-L57 VanDerWaalsContact O-CG 3.29Å; V53-L57 WeakPolarHBondContact O-CG 3.43Å; V53-L57 PolarHBondContact O-N 2.84Å; V53-V80 HydrophobicContact CG1-CG2 4.19Å |
| 54 | F | 94.1 | Very high | 90.7 | Very high | 2 Ų | 2 | 22.2 Ų | 22.2 | 1% | 0.009 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -56.3 | -44.6 | 177 | -179.5 | -117.6 | 0 | 0 | 0 | 112.3 | Y50 V51 Q52 E58 L77 V80 M81 I118 P119 P121 L547 | Y50-F54 VanDerWaalsContact O-CB 3.29Å; Y50-F54 WeakPolarHBondContact O-CB 3.4Å; Y50-F54 PolarHBondContact O-N 2.98Å; V51-F54 WeakPolarHBondContact O-CB 3.4Å; V51-F54 PolarHBondContact O-N 3.2Å; Q52-F54 VanDerWaalsContact C-N 3.27Å; Q52-F54 PolarHBondContact O-N 3.46Å; F54-E58 VanDerWaalsContact O-CB 3.31Å; F54-E58 WeakPolarHBondContact O-CB 3.43Å; F54-E58 PolarHBondContact O-N 3.38Å; F54-L77 HydrophobicContact CD2-CD2 4.33Å; F54-L77 HydrophobicContact CD2-CG 4.15Å; F54-L77 HydrophobicContact CE2-CD2 3.6Å; F54-L77 HydrophobicContact CE2-CG 3.87Å; F54-V80 HydrophobicContact CB-CG1 3.78Å; F54-V80 HydrophobicContact CD2-CG1 4.33Å; F54-M81 HydrophobicContact CD2-CB 4.47Å; F54-M81 HydrophobicContact CE2-CB 3.97Å; F54-M81 HydrophobicContact CE2-CG 4.18Å; F54-M81 HydrophobicContact CE2-SD 4.35Å; F54-M81 HydrophobicContact CZ-CG 4.45Å; F54-M81 HydrophobicContact CZ-SD 4.43Å; F54-I118 HydrophobicContact CE1-CG2 3.86Å; F54-P119 HydrophobicContact CD1-CG 3.68Å; F54-P119 HydrophobicContact CE1-CG 3.5Å; F54-P119 WeakPolarHBondContact CE1-O 3.41Å; F54-P119 HydrophobicContact CZ-CG 4.4Å; F54-P121 HydrophobicContact CE2-CG 4.22Å; F54-P121 HydrophobicContact CZ-CG 3.7Å; F54-L547 HydrophobicContact CZ-CD2 4.14Å |
| 55 | R | 92.1 | Very high | 90.6 | Very high | 86 Ų | 86 | 22.5 Ų | 22.5 | 33% | 0.325 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -64.9 | -45.4 | 177.1 | -72.1 | 170.2 | 67.4 | 124.7 | -1.3 | 113.2 | V51 Q52 V53 L57 E58 E59 P114 A115 E117 P119 | V51-R55 WeakPolarHBondContact O-CG 3.23Å; V51-R55 PolarHBondContact O-N 3.46Å; Q52-R55 WeakPolarHBondContact O-CB 3.24Å; Q52-R55 PolarHBondContact O-N 3.47Å; Q52-R55 VanDerWaalsContact O-N 3.16Å; V53-R55 VanDerWaalsContact C-N 3.32Å; V53-R55 PolarHBondContact O-N 3.4Å; R55-L57 VanDerWaalsContact C-N 3.35Å; R55-E58 PolarHBondContact O-N 3.4Å; R55-E59 WeakPolarHBondContact O-CB 3.37Å; R55-E59 PolarHBondContact O-N 2.92Å; R55-P114 PolarHBondContact NH1-O 2.97Å; R55-A115 VanDerWaalsContact CD-O 3.28Å; R55-A115 WeakPolarHBondContact CD-O 3.36Å; R55-A115 PolarHBondContact NH1-O 3.21Å; R55-E117 PolarHBondContact NH1-O 3.44Å; R55-P119 HydrophobicContact CB-CG 4.5Å; R55-P119 HydrophobicContact CG-CG 3.81Å |
| 56 | Q | 91.8 | Very high | 90.5 | Very high | 60 Ų | 60 | 20.3 Ų | 20.3 | 28% | 0.28 | 9% | 0.092 | S | C | . | . | H | α-helix | trans | -66.3 | -39.4 | 180 | -68 | 173.1 | -22.8 | 0 | 0 | 111.3 | V9 A13 Q52 V53 E59 A60 | V9-Q56 HydrophobicContact CG1-CB 4.03Å; V9-Q56 HydrophobicContact CG1-CG 4.47Å; A13-Q56 HydrophobicContact CB-CB 3.68Å; Q52-Q56 WeakPolarHBondContact O-CG 3.38Å; Q52-Q56 PolarHBondContact O-N 3.08Å; V53-Q56 PolarHBondContact O-N 3.48Å; Q56-E59 PolarHBondContact O-N 3.27Å; Q56-A60 VanDerWaalsContact O-CB 3.25Å; Q56-A60 WeakPolarHBondContact O-CB 3.34Å; Q56-A60 PolarHBondContact O-N 3.18Å |
| 57 | L | 92.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -66.2 | -38 | 174.3 | -70.4 | 178.3 | 0 | 0 | 0 | 112.1 | A13 M14 V53 R55 A60 H61 I73 L76 V80 | A13-L57 HydrophobicContact CB-CD2 3.86Å; A13-L57 HydrophobicContact CB-CG 4.11Å; M14-L57 HydrophobicContact SD-CD2 4.35Å; V53-L57 HydrophobicContact CG1-CD1 3.76Å; V53-L57 HydrophobicContact CG1-CG 4.1Å; V53-L57 WeakPolarHBondContact O-CB 3.2Å; V53-L57 VanDerWaalsContact O-CG 3.29Å; V53-L57 WeakPolarHBondContact O-CG 3.43Å; V53-L57 PolarHBondContact O-N 2.84Å; R55-L57 VanDerWaalsContact C-N 3.35Å; L57-A60 PolarHBondContact O-N 3.1Å; L57-H61 VanDerWaalsContact O-CB 3.23Å; L57-H61 WeakPolarHBondContact O-CB 3.45Å; L57-H61 PolarHBondContact O-N 3.07Å; L57-I73 HydrophobicContact CB-CG2 4.37Å; L57-I73 HydrophobicContact CD2-CG2 4.35Å; L57-I73 WeakPolarHBondContact O-CG2 3.46Å; L57-L76 HydrophobicContact CD1-CB 4.08Å; L57-V80 HydrophobicContact CD1-CG2 4.02Å |
| 58 | E | 90.8 | Very high | 90.1 | Very high | 26 Ų | 26 | 20.3 Ų | 20.3 | 12% | 0.121 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -66 | -44.3 | 175.6 | -163.8 | -84.8 | 166.2 | 0 | 0 | 111.5 | F54 R55 H61 N62 L77 P119 P121 | F54-E58 VanDerWaalsContact O-CB 3.31Å; F54-E58 WeakPolarHBondContact O-CB 3.43Å; F54-E58 PolarHBondContact O-N 3.38Å; R55-E58 PolarHBondContact O-N 3.4Å; E58-H61 PolarHBondContact O-N 2.99Å; E58-N62 WeakPolarHBondContact O-CB 3.49Å; E58-N62 VanDerWaalsContact O-CG 3.25Å; E58-N62 PolarHBondContact O-N 3.45Å; E58-N62 PolarHBondContact O-ND2 2.87Å; E58-N62 PolarHBondContact OE1-ND2 2.96Å; E58-N62 PolarHBondContact OE2-ND2 3.46Å; E58-L77 HydrophobicContact CB-CD1 4.14Å; E58-L77 HydrophobicContact CG-CD1 4.4Å; E58-P119 HydrophobicContact CB-CG 4.2Å; E58-P119 HydrophobicContact CG-CB 4.14Å; E58-P119 HydrophobicContact CG-CG 4.23Å; E58-P121 HydrophobicContact CG-CB 4.5Å |
| 59 | E | 88.5 | Confident | 89.9 | Confident | 74 Ų | 74 | 20.4 Ų | 20.4 | 35% | 0.346 | 9% | 0.093 | S | C | . | . | H | α-helix | trans | -61.9 | -45.2 | 174.4 | -174.8 | 175.1 | -179.5 | 0 | 0 | 111.4 | R55 Q56 N62 M63 | R55-E59 WeakPolarHBondContact O-CB 3.37Å; R55-E59 PolarHBondContact O-N 2.92Å; Q56-E59 PolarHBondContact O-N 3.27Å; E59-N62 PolarHBondContact O-N 3.4Å; E59-M63 WeakPolarHBondContact O-CB 3.42Å; E59-M63 VanDerWaalsContact O-CG 3.27Å; E59-M63 WeakPolarHBondContact O-CG 3.43Å; E59-M63 PolarHBondContact O-N 3.04Å |
| 60 | A | 89.4 | Confident | 89.7 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62.1 | -45.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | W10 Q56 L57 N62 M63 L64 I73 | W10-A60 HydrophobicContact CB-CB 4.04Å; Q56-A60 VanDerWaalsContact O-CB 3.25Å; Q56-A60 WeakPolarHBondContact O-CB 3.34Å; Q56-A60 PolarHBondContact O-N 3.18Å; L57-A60 PolarHBondContact O-N 3.1Å; A60-N62 VanDerWaalsContact C-N 3.32Å; A60-N62 PolarHBondContact O-N 3.19Å; A60-M63 PolarHBondContact O-N 3.4Å; A60-L64 HydrophobicContact CB-CD1 4.21Å; A60-L64 WeakPolarHBondContact O-CB 3.47Å; A60-L64 WeakPolarHBondContact O-CG 3.5Å; A60-L64 PolarHBondContact O-N 3Å; A60-I73 HydrophobicContact CB-CD1 4.36Å |
| 61 | H | 89.4 | Confident | 89.5 | Confident | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.009 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.1 | -41.2 | 177.2 | -177.6 | -96.1 | 0 | 0 | 0 | 112.2 | L57 E58 R70 I73 E127 | L57-H61 VanDerWaalsContact O-CB 3.23Å; L57-H61 WeakPolarHBondContact O-CB 3.45Å; L57-H61 PolarHBondContact O-N 3.07Å; E58-H61 PolarHBondContact O-N 2.99Å; H61-R70 PolarHBondContact CE1-NH2 3.45Å; H61-R70 PolarHBondContact O-NH1 2.99Å; H61-I73 HydrophobicContact CB-CG2 3.74Å; H61-E127 IonicContact CE1-OE1 2.82Å; H61-E127 IonicContact NE2-OE1 3.43Å |
| 62 | N | 84.7 | Confident | 89.4 | Confident | 40 Ų | 40 | 25.3 Ų | 25.3 | 21% | 0.214 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -69.7 | -35.3 | -179.3 | -75.5 | -14.9 | 0 | 0 | 0 | 112.7 | E58 E59 A60 Y122 Q267 | E58-N62 WeakPolarHBondContact O-CB 3.49Å; E58-N62 VanDerWaalsContact O-CG 3.25Å; E58-N62 PolarHBondContact O-N 3.45Å; E58-N62 PolarHBondContact O-ND2 2.87Å; E58-N62 PolarHBondContact OE1-ND2 2.96Å; E58-N62 PolarHBondContact OE2-ND2 3.46Å; E59-N62 PolarHBondContact O-N 3.4Å; A60-N62 VanDerWaalsContact C-N 3.32Å; A60-N62 PolarHBondContact O-N 3.19Å; N62-Y122 WeakPolarHBondContact OD1-CB 3Å; N62-Q267 PolarHBondContact O-NE2 3.13Å |
| 63 | M | 83.6 | Confident | 89.3 | Confident | 40 Ų | 40 | 23.3 Ų | 23.3 | 20% | 0.197 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -95.6 | -27.3 | -172.4 | -64.4 | -69.3 | 168.8 | 0 | 0 | 113.5 | Y6 E59 A60 I263 | Y6-M63 HydrophobicContact CD1-CB 3.37Å; Y6-M63 HydrophobicContact CD1-CG 3.73Å; Y6-M63 HydrophobicContact CD2-CB 3.97Å; Y6-M63 HydrophobicContact CE1-CB 3.47Å; Y6-M63 VanDerWaalsContact CE1-CB 3.47Å; Y6-M63 HydrophobicContact CE1-CG 3.36Å; Y6-M63 HydrophobicContact CE1-SD 3.89Å; Y6-M63 HydrophobicContact CE2-CB 4.07Å; Y6-M63 HydrophobicContact CG-CB 3.63Å; Y6-M63 HydrophobicContact CG-CG 4.45Å; E59-M63 WeakPolarHBondContact O-CB 3.42Å; E59-M63 VanDerWaalsContact O-CG 3.27Å; E59-M63 WeakPolarHBondContact O-CG 3.43Å; E59-M63 PolarHBondContact O-N 3.04Å; A60-M63 PolarHBondContact O-N 3.4Å; M63-I263 HydrophobicContact SD-CD1 3.75Å |
| 64 | L | 86.8 | Confident | 89.1 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | trans | -75.6 | 139.1 | 176.9 | -68.2 | 170.8 | 0 | 0 | 0 | 111.4 | W10 A60 R70 I73 Q267 | W10-L64 HydrophobicContact CB-CD1 4.39Å; A60-L64 HydrophobicContact CB-CD1 4.21Å; A60-L64 WeakPolarHBondContact O-CB 3.47Å; A60-L64 WeakPolarHBondContact O-CG 3.5Å; A60-L64 PolarHBondContact O-N 3Å; L64-R70 WeakPolarHBondContact O-CD 3.24Å; L64-R70 PolarHBondContact O-NH1 2.95Å; L64-I73 HydrophobicContact CD1-CD1 3.45Å; L64-I73 VanDerWaalsContact CD1-CD1 3.45Å; L64-Q267 PolarHBondContact O-NE2 3.28Å | ||
| 65 | V | 86.7 | Confident | 89 | Confident | 6 Ų | 6 | 28 Ų | 28 | 4% | 0.036 | 13% | 0.127 | C | C | . | . | trans | -104 | -23.8 | -178.6 | -179.9 | 0 | 0 | 0 | 0 | 110.9 | R266 Q267 H270 Q415 | V65-R266 HydrophobicContact CG1-CB 4.3Å; V65-R266 HydrophobicContact CG1-CG 3.78Å; V65-Q267 HydrophobicContact CG2-CG 4.35Å; V65-H270 HydrophobicContact CG1-CB 3.98Å; V65-Q415 HydrophobicContact CB-CB 4.35Å | ||
| 66 | H | 87.8 | Confident | 89 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 11% | 0.112 | C | C | . | . | trans | -60.1 | 119.5 | -178.3 | -166 | -65.6 | 0 | 0 | 0 | 112.6 | Q68 K69 R70 W404 Q415 I416 | H66-Q68 PolarHBondContact CE1-OE1 3.43Å; H66-Q68 VanDerWaalsContact CE1-OE1 3.25Å; H66-Q68 PolarHBondContact ND1-N 3.16Å; H66-K69 HydrophobicContact CB-CB 4.17Å; H66-K69 HydrophobicContact CB-CD 4Å; H66-K69 HydrophobicContact CB-CG 4.16Å; H66-K69 PolarHBondContact ND1-N 2.8Å; H66-R70 WeakPolarHBondContact O-CB 3.39Å; H66-R70 WeakPolarHBondContact O-CG 3.32Å; H66-R70 PolarHBondContact O-N 3.24Å; H66-R70 VanDerWaalsContact O-N 3.07Å; H66-W404 AromaticContact CE1-CH2 3.63Å; H66-W404 AromaticContact NE2-CH2 3.94Å; H66-Q415 HydrophobicContact CB-CB 4.01Å; H66-I416 PolarHBondContact CD2-O 3.37Å; H66-I416 VanDerWaalsContact CD2-O 3.31Å; H66-I416 PolarHBondContact NE2-O 3.34Å; H66-I416 VanDerWaalsContact NE2-O 3.12Å | ||
| 67 | P | 87 | Confident | 89 | Confident | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.006 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -66.8 | -45.1 | -170 | 23.7 | -32.5 | 0 | 0 | 0 | 113.6 | R70 R71 E271 Y274 H417 | P67-R70 PolarHBondContact O-N 3.06Å; P67-R71 WeakPolarHBondContact O-CG 3.37Å; P67-R71 PolarHBondContact O-N 3.37Å; P67-R71 VanDerWaalsContact O-N 3.11Å; P67-E271 WeakPolarHBondContact CB-OE2 3.4Å; P67-Y274 HydrophobicContact CB-CD1 4.1Å; P67-Y274 HydrophobicContact CB-CG 3.96Å; P67-Y274 HydrophobicContact CG-CD1 4.4Å; P67-Y274 HydrophobicContact CG-CD2 4.04Å; P67-Y274 HydrophobicContact CG-CG 3.77Å; P67-H417 HydrophobicContact CG-CB 3.78Å |
| 68 | Q | 88.4 | Confident | 88.9 | Confident | 15 Ų | 15 | 22.6 Ų | 22.6 | 7% | 0.07 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.4 | -46.1 | -179.7 | -67.2 | 157.8 | -53.5 | 0 | 0 | 112.7 | H66 R70 R71 L72 Y274 W404 E418 | H66-Q68 PolarHBondContact CE1-OE1 3.43Å; H66-Q68 VanDerWaalsContact CE1-OE1 3.25Å; H66-Q68 PolarHBondContact ND1-N 3.16Å; Q68-R70 VanDerWaalsContact C-N 3.35Å; Q68-R70 PolarHBondContact O-N 2.9Å; Q68-R71 PolarHBondContact O-N 3.48Å; Q68-L72 PolarHBondContact O-N 3.37Å; Q68-L72 VanDerWaalsContact O-N 3.16Å; Q68-Y274 HydrophobicContact CG-CD2 4.48Å; Q68-Y274 HydrophobicContact CG-CE2 3.61Å; Q68-W404 HydrophobicContact CB-CZ2 4.06Å; Q68-E418 PolarHBondContact NE2-O 2.9Å |
| 69 | K | 88.7 | Confident | 88.9 | Confident | 4 Ų | 4 | 21.5 Ų | 21.5 | 2% | 0.017 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -56.9 | -46.1 | 173.1 | -66.6 | -174.6 | 171.1 | -170.1 | 0 | 112.6 | N7 W10 H66 R71 L72 I73 W404 E409 | N7-K69 PolarHBondContact OD1-NZ 2.73Å; W10-K69 HydrophobicContact CE3-CD 4.1Å; W10-K69 HydrophobicContact CH2-CB 4.19Å; W10-K69 HydrophobicContact CH2-CD 3.99Å; W10-K69 HydrophobicContact CH2-CG 3.78Å; W10-K69 HydrophobicContact CZ3-CB 4.41Å; W10-K69 HydrophobicContact CZ3-CD 3.48Å; W10-K69 VanDerWaalsContact CZ3-CD 3.48Å; W10-K69 VanDerWaalsContact CZ3-CE 3.43Å; W10-K69 HydrophobicContact CZ3-CG 3.83Å; H66-K69 HydrophobicContact CB-CB 4.17Å; H66-K69 HydrophobicContact CB-CD 4Å; H66-K69 HydrophobicContact CB-CG 4.16Å; H66-K69 PolarHBondContact ND1-N 2.8Å; K69-R71 VanDerWaalsContact C-N 3.28Å; K69-R71 PolarHBondContact O-N 3.22Å; K69-L72 PolarHBondContact O-N 3.36Å; K69-I73 WeakPolarHBondContact O-CB 3.2Å; K69-I73 VanDerWaalsContact O-CG1 3.25Å; K69-I73 WeakPolarHBondContact O-CG1 3.12Å; K69-I73 PolarHBondContact O-N 3.45Å; K69-W404 HydrophobicContact CD-CE3 4.4Å; K69-W404 HydrophobicContact CD-CZ3 4.3Å; K69-W404 HydrophobicContact CG-CD2 4.2Å; K69-W404 HydrophobicContact CG-CE3 4.12Å; K69-W404 HydrophobicContact CG-CH2 3.86Å; K69-W404 HydrophobicContact CG-CZ2 3.91Å; K69-W404 HydrophobicContact CG-CZ3 3.96Å; K69-E409 WeakPolarHBondContact CE-OE1 3.44Å; K69-E409 WeakPolarHBondContact CE-OE2 3.48Å; K69-E409 IonicContact NZ-OE1 3.41Å; K69-E409 PolarHBondContact NZ-OE1 3.27Å; K69-E409 IonicContact NZ-OE2 3.02Å; K69-E409 PolarHBondContact NZ-OE2 2.79Å |
| 70 | R | 89.5 | Confident | 89.1 | Confident | 26 Ų | 26 | 18 Ų | 18 | 10% | 0.098 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -57.9 | -41.2 | 178.8 | -73.9 | 170.2 | 65.8 | 85.1 | 7.4 | 111.8 | H61 L64 H66 P67 Q68 I73 L74 | H61-R70 PolarHBondContact CE1-NH2 3.45Å; H61-R70 PolarHBondContact O-NH1 2.99Å; L64-R70 WeakPolarHBondContact O-CD 3.24Å; L64-R70 PolarHBondContact O-NH1 2.95Å; H66-R70 WeakPolarHBondContact O-CB 3.39Å; H66-R70 WeakPolarHBondContact O-CG 3.32Å; H66-R70 PolarHBondContact O-N 3.24Å; H66-R70 VanDerWaalsContact O-N 3.07Å; P67-R70 PolarHBondContact O-N 3.06Å; Q68-R70 VanDerWaalsContact C-N 3.35Å; Q68-R70 PolarHBondContact O-N 2.9Å; R70-I73 PolarHBondContact O-N 3.48Å; R70-L74 VanDerWaalsContact O-CB 3.26Å; R70-L74 WeakPolarHBondContact O-CB 3.39Å; R70-L74 PolarHBondContact O-N 3.19Å |
| 71 | R | 88.6 | Confident | 89.3 | Confident | 94 Ų | 94 | 18 Ų | 18 | 36% | 0.355 | 9% | 0.085 | S | C | . | . | H | α-helix | trans | -63.3 | -43.1 | 176.4 | -69.5 | 173.7 | 178.5 | -162.9 | -3.8 | 112.4 | P67 Q68 K69 L74 L75 E271 Y274 | P67-R71 WeakPolarHBondContact O-CG 3.37Å; P67-R71 PolarHBondContact O-N 3.37Å; P67-R71 VanDerWaalsContact O-N 3.11Å; Q68-R71 PolarHBondContact O-N 3.48Å; K69-R71 VanDerWaalsContact C-N 3.28Å; K69-R71 PolarHBondContact O-N 3.22Å; R71-L74 PolarHBondContact O-N 2.79Å; R71-L75 WeakPolarHBondContact O-CG 3.46Å; R71-L75 PolarHBondContact O-N 2.9Å; R71-E271 IonicContact CZ-OE1 3.68Å; R71-E271 IonicContact NE-OE1 2.72Å; R71-E271 IonicContact NH2-OE1 2.94Å; R71-E271 PolarHBondContact NH2-OE1 2.98Å; R71-Y274 PolarHBondContact NH1-OH 2.87Å; R71-Y274 VanDerWaalsContact NH2-CE1 3.34Å |
| 72 | L | 90.6 | Very high | 89.3 | Confident | 14 Ų | 14 | 18 Ų | 18 | 7% | 0.073 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -64.5 | -45.8 | 175.2 | -178.3 | 60 | 0 | 0 | 0 | 111.6 | W10 Q68 K69 L74 L75 L76 A396 R399 | W10-L72 HydrophobicContact CZ2-CD2 4.15Å; Q68-L72 PolarHBondContact O-N 3.37Å; Q68-L72 VanDerWaalsContact O-N 3.16Å; K69-L72 PolarHBondContact O-N 3.36Å; L72-L74 VanDerWaalsContact C-N 3.28Å; L72-L74 PolarHBondContact O-N 3.21Å; L72-L75 WeakPolarHBondContact O-CB 3.37Å; L72-L75 PolarHBondContact O-N 2.73Å; L72-L76 HydrophobicContact CG-CD1 4.11Å; L72-L76 WeakPolarHBondContact O-CG 3.41Å; L72-L76 PolarHBondContact O-N 3.26Å; L72-A396 HydrophobicContact CD1-CB 4.35Å; L72-R399 HydrophobicContact CD1-CB 4.24Å |
| 73 | I | 91.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -61 | -38.8 | 176 | -66 | 166.1 | 0 | 0 | 0 | 110.7 | W10 L57 A60 H61 L64 K69 R70 L76 L77 | W10-I73 HydrophobicContact CD2-CD1 4.06Å; W10-I73 HydrophobicContact CD2-CG1 4.37Å; W10-I73 HydrophobicContact CG-CD1 4.04Å; W10-I73 HydrophobicContact CG-CG1 4.4Å; W10-I73 HydrophobicContact CZ2-CD1 4.45Å; W10-I73 HydrophobicContact CZ2-CG1 4.14Å; L57-I73 HydrophobicContact CB-CG2 4.37Å; L57-I73 HydrophobicContact CD2-CG2 4.35Å; L57-I73 WeakPolarHBondContact O-CG2 3.46Å; A60-I73 HydrophobicContact CB-CD1 4.36Å; H61-I73 HydrophobicContact CB-CG2 3.74Å; L64-I73 HydrophobicContact CD1-CD1 3.45Å; L64-I73 VanDerWaalsContact CD1-CD1 3.45Å; K69-I73 WeakPolarHBondContact O-CB 3.2Å; K69-I73 VanDerWaalsContact O-CG1 3.25Å; K69-I73 WeakPolarHBondContact O-CG1 3.12Å; K69-I73 PolarHBondContact O-N 3.45Å; R70-I73 PolarHBondContact O-N 3.48Å; I73-L76 PolarHBondContact O-N 3.32Å; I73-L77 WeakPolarHBondContact O-CB 3.22Å; I73-L77 PolarHBondContact O-N 3.04Å |
| 74 | L | 90.1 | Very high | 90.1 | Very high | 21 Ų | 21 | 14.5 Ų | 14.5 | 11% | 0.11 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -63.9 | -41.8 | 177.3 | -176.1 | 65.9 | 0 | 0 | 0 | 111.5 | R70 R71 L72 L77 K78 F123 | R70-L74 VanDerWaalsContact O-CB 3.26Å; R70-L74 WeakPolarHBondContact O-CB 3.39Å; R70-L74 PolarHBondContact O-N 3.19Å; R71-L74 PolarHBondContact O-N 2.79Å; L72-L74 VanDerWaalsContact C-N 3.28Å; L72-L74 PolarHBondContact O-N 3.21Å; L74-L77 PolarHBondContact O-N 3.08Å; L74-K78 VanDerWaalsContact O-CG 3.3Å; L74-K78 WeakPolarHBondContact O-CG 3.45Å; L74-K78 PolarHBondContact O-N 3.29Å; L74-F123 HydrophobicContact CD1-CB 4.37Å; L74-F123 HydrophobicContact CD1-CD1 3.6Å; L74-F123 HydrophobicContact CD1-CD2 3.82Å; L74-F123 HydrophobicContact CD1-CE1 3.67Å; L74-F123 HydrophobicContact CD1-CE2 3.89Å; L74-F123 HydrophobicContact CD1-CG 3.67Å; L74-F123 HydrophobicContact CD1-CZ 3.82Å |
| 75 | L | 90.7 | Very high | 90.3 | Very high | 78 Ų | 78 | 15 Ų | 15 | 41% | 0.408 | 7% | 0.069 | S | C | . | . | H | α-helix | trans | -61.7 | -47.2 | 173.6 | -70.7 | 170.7 | 0 | 0 | 0 | 111.4 | R71 L72 L77 K78 G79 | R71-L75 WeakPolarHBondContact O-CG 3.46Å; R71-L75 PolarHBondContact O-N 2.9Å; L72-L75 WeakPolarHBondContact O-CB 3.37Å; L72-L75 PolarHBondContact O-N 2.73Å; L75-L77 PolarHBondContact O-N 2.96Å; L75-K78 PolarHBondContact O-N 2.97Å; L75-G79 PolarHBondContact O-N 2.84Å |
| 76 | L | 91.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -60.8 | -44.9 | 177 | -70.6 | 162.2 | 0 | 0 | 0 | 111.7 | M14 L17 L57 L72 I73 K78 G79 V80 L393 A396 | M14-L76 HydrophobicContact CE-CD1 3.86Å; M14-L76 HydrophobicContact CE-CD2 4.08Å; M14-L76 HydrophobicContact SD-CD1 3.4Å; M14-L76 WeakPolarHBondContact SD-CD1 3.45Å; M14-L76 HydrophobicContact SD-CD2 4.32Å; M14-L76 HydrophobicContact SD-CG 4.45Å; L17-L76 HydrophobicContact CD2-CD2 3.68Å; L57-L76 HydrophobicContact CD1-CB 4.08Å; L72-L76 HydrophobicContact CG-CD1 4.11Å; L72-L76 WeakPolarHBondContact O-CG 3.41Å; L72-L76 PolarHBondContact O-N 3.26Å; I73-L76 PolarHBondContact O-N 3.32Å; L76-K78 PolarHBondContact O-N 3.5Å; L76-G79 PolarHBondContact O-N 2.89Å; L76-V80 WeakPolarHBondContact O-CB 3.11Å; L76-V80 WeakPolarHBondContact O-CG2 3.43Å; L76-V80 PolarHBondContact O-N 3.31Å; L76-L393 HydrophobicContact CD2-CD2 4.39Å; L76-A396 HydrophobicContact CD2-CB 3.49Å; L76-A396 VanDerWaalsContact CD2-CB 3.49Å; L76-A396 HydrophobicContact CG-CB 3.96Å |
| 77 | L | 91.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -62.1 | -43.6 | 179.9 | -171.4 | 161.3 | 0 | 0 | 0 | 110.6 | F54 E58 I73 L74 L75 G79 V80 M81 P121 F123 | F54-L77 HydrophobicContact CD2-CD2 4.33Å; F54-L77 HydrophobicContact CD2-CG 4.15Å; F54-L77 HydrophobicContact CE2-CD2 3.6Å; F54-L77 HydrophobicContact CE2-CG 3.87Å; E58-L77 HydrophobicContact CB-CD1 4.14Å; E58-L77 HydrophobicContact CG-CD1 4.4Å; I73-L77 WeakPolarHBondContact O-CB 3.22Å; I73-L77 PolarHBondContact O-N 3.04Å; L74-L77 PolarHBondContact O-N 3.08Å; L75-L77 PolarHBondContact O-N 2.96Å; L77-G79 PolarHBondContact O-N 2.95Å; L77-V80 PolarHBondContact O-N 3.36Å; L77-M81 WeakPolarHBondContact O-CB 3.41Å; L77-M81 PolarHBondContact O-N 3.33Å; L77-P121 HydrophobicContact CD2-CB 4.41Å; L77-P121 HydrophobicContact CD2-CG 4.13Å; L77-F123 HydrophobicContact CD1-CE1 4.13Å; L77-F123 HydrophobicContact CD2-CE1 3.45Å; L77-F123 VanDerWaalsContact CD2-CE1 3.45Å; L77-F123 HydrophobicContact CD2-CZ 3.8Å; L77-F123 HydrophobicContact CG-CE1 4.4Å |
| 78 | K | 91 | Very high | 90.9 | Very high | 34 Ų | 34 | 16.2 Ų | 16.2 | 15% | 0.148 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -61 | -43.6 | 174.4 | -70.6 | 175.6 | -172.1 | 173.6 | 0 | 112.1 | L74 L75 L76 M81 G82 E553 V554 | L74-K78 VanDerWaalsContact O-CG 3.3Å; L74-K78 WeakPolarHBondContact O-CG 3.45Å; L74-K78 PolarHBondContact O-N 3.29Å; L75-K78 PolarHBondContact O-N 2.97Å; L76-K78 PolarHBondContact O-N 3.5Å; K78-M81 PolarHBondContact O-N 3.4Å; K78-G82 PolarHBondContact O-N 3.31Å; K78-E553 WeakPolarHBondContact CD-OE2 3.42Å; K78-E553 VanDerWaalsContact NZ-CD 3.33Å; K78-E553 IonicContact NZ-OE1 2.8Å; K78-E553 PolarHBondContact NZ-OE1 3.44Å; K78-E553 IonicContact NZ-OE2 3.37Å; K78-E553 PolarHBondContact NZ-OE2 3.17Å; K78-V554 HydrophobicContact CB-CG2 4.22Å; K78-V554 WeakPolarHBondContact O-CG2 3.03Å |
| 79 | G | 91.2 | Very high | 91 | Very high | 3 Ų | 3 | 18.9 Ų | 18.9 | 3% | 0.031 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -63.6 | -47.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L75 L76 L77 M81 G82 R83 | L75-G79 PolarHBondContact O-N 2.84Å; L76-G79 PolarHBondContact O-N 2.89Å; L77-G79 PolarHBondContact O-N 2.95Å; G79-M81 VanDerWaalsContact C-N 3.32Å; G79-M81 PolarHBondContact O-N 3.2Å; G79-G82 PolarHBondContact O-N 2.87Å; G79-R83 PolarHBondContact O-N 3.39Å |
| 80 | V | 92.9 | Very high | 91 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -63.5 | -41.5 | 177.8 | 171.4 | 0 | 0 | 0 | 0 | 110 | L17 Y50 V53 F54 L57 L76 L77 G82 R83 V84 L393 | L17-V80 HydrophobicContact CD1-CG2 4.03Å; Y50-V80 HydrophobicContact CD1-CG1 4.18Å; V53-V80 HydrophobicContact CG1-CG2 4.19Å; F54-V80 HydrophobicContact CB-CG1 3.78Å; F54-V80 HydrophobicContact CD2-CG1 4.33Å; L57-V80 HydrophobicContact CD1-CG2 4.02Å; L76-V80 WeakPolarHBondContact O-CB 3.11Å; L76-V80 WeakPolarHBondContact O-CG2 3.43Å; L76-V80 PolarHBondContact O-N 3.31Å; L77-V80 PolarHBondContact O-N 3.36Å; V80-G82 VanDerWaalsContact C-N 3.34Å; V80-G82 PolarHBondContact O-N 3.22Å; V80-R83 PolarHBondContact O-N 3.4Å; V80-V84 HydrophobicContact CG1-CG2 4.25Å; V80-V84 VanDerWaalsContact O-CG2 3.29Å; V80-V84 WeakPolarHBondContact O-CG2 3.41Å; V80-V84 PolarHBondContact O-N 3.26Å; V80-L393 HydrophobicContact CG2-CD2 3.89Å |
| 81 | M | 91.9 | Very high | 90.9 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.005 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -58.7 | -44.9 | 175.9 | -170.3 | 170.1 | 74 | 0 | 0 | 111.8 | F54 L77 K78 G79 V84 L85 F124 L547 A551 V554 | F54-M81 HydrophobicContact CD2-CB 4.47Å; F54-M81 HydrophobicContact CE2-CB 3.97Å; F54-M81 HydrophobicContact CE2-CG 4.18Å; F54-M81 HydrophobicContact CE2-SD 4.35Å; F54-M81 HydrophobicContact CZ-CG 4.45Å; F54-M81 HydrophobicContact CZ-SD 4.43Å; L77-M81 WeakPolarHBondContact O-CB 3.41Å; L77-M81 PolarHBondContact O-N 3.33Å; K78-M81 PolarHBondContact O-N 3.4Å; G79-M81 VanDerWaalsContact C-N 3.32Å; G79-M81 PolarHBondContact O-N 3.2Å; M81-V84 PolarHBondContact O-N 2.93Å; M81-L85 WeakPolarHBondContact O-CG 3.3Å; M81-L85 PolarHBondContact O-N 2.87Å; M81-F124 HydrophobicContact CE-CE1 4.29Å; M81-F124 HydrophobicContact CE-CZ 4.12Å; M81-F124 HydrophobicContact SD-CE1 4.32Å; M81-F124 HydrophobicContact SD-CZ 3.78Å; M81-L547 HydrophobicContact CG-CB 4.03Å; M81-L547 HydrophobicContact CG-CD1 3.86Å; M81-L547 HydrophobicContact CG-CD2 4.24Å; M81-L547 HydrophobicContact CG-CG 4.24Å; M81-L547 HydrophobicContact SD-CB 3.76Å; M81-L547 HydrophobicContact SD-CD1 4.33Å; M81-L547 HydrophobicContact SD-CD2 3.64Å; M81-L547 HydrophobicContact SD-CG 4.08Å; M81-A551 HydrophobicContact CE-CB 3.36Å; M81-V554 HydrophobicContact CE-CB 3.74Å; M81-V554 HydrophobicContact CE-CG1 3.99Å; M81-V554 HydrophobicContact CE-CG2 3.39Å |
| 82 | G | 90.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -60.1 | -46.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | K78 G79 V80 V84 L85 E86 F389 | K78-G82 PolarHBondContact O-N 3.31Å; G79-G82 PolarHBondContact O-N 2.87Å; V80-G82 VanDerWaalsContact C-N 3.34Å; V80-G82 PolarHBondContact O-N 3.22Å; G82-V84 PolarHBondContact O-N 3.03Å; G82-L85 WeakPolarHBondContact O-CB 3.49Å; G82-L85 PolarHBondContact O-N 3.45Å; G82-L85 VanDerWaalsContact O-N 3.17Å; G82-E86 PolarHBondContact O-N 3.41Å; G82-F389 VanDerWaalsContact CA-CE2 3.42Å |
| 83 | R | 91.5 | Very high | 90.6 | Very high | 4 Ų | 4 | 15.7 Ų | 15.7 | 2% | 0.015 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -63.4 | -40.6 | 178.3 | -172.5 | 62.7 | -177.6 | 147.8 | 3.4 | 112.8 | E24 Y50 G79 V80 L85 E86 L87 L393 | E24-R83 VanDerWaalsContact CD-NH2 3.29Å; E24-R83 IonicContact OE1-CZ 2.74Å; E24-R83 IonicContact OE1-NE 2.93Å; E24-R83 PolarHBondContact OE1-NE 2.82Å; E24-R83 IonicContact OE1-NH2 2.74Å; E24-R83 PolarHBondContact OE1-NH2 2.59Å; E24-R83 IonicContact OE2-CZ 2.83Å; E24-R83 IonicContact OE2-NE 3.5Å; E24-R83 PolarHBondContact OE2-NE 2.58Å; E24-R83 IonicContact OE2-NH2 3.4Å; E24-R83 PolarHBondContact OE2-NH2 3.42Å; Y50-R83 HydrophobicContact CD1-CG 4.4Å; Y50-R83 HydrophobicContact CD2-CG 4.17Å; Y50-R83 HydrophobicContact CE1-CG 4.09Å; Y50-R83 HydrophobicContact CE2-CG 3.84Å; Y50-R83 HydrophobicContact CG-CG 4.44Å; G79-R83 PolarHBondContact O-N 3.39Å; V80-R83 PolarHBondContact O-N 3.4Å; R83-L85 VanDerWaalsContact C-N 3.28Å; R83-L85 PolarHBondContact O-N 3.42Å; R83-E86 IonicContact NH1-OE2 3.68Å; R83-E86 PolarHBondContact NH1-OE2 3.07Å; R83-E86 VanDerWaalsContact NH1-OE2 3.16Å; R83-E86 PolarHBondContact O-N 3.2Å; R83-L87 HydrophobicContact CG-CD1 4.14Å; R83-L87 HydrophobicContact CG-CG 4.42Å; R83-L87 WeakPolarHBondContact O-CB 3.34Å; R83-L87 WeakPolarHBondContact O-CG 3.49Å; R83-L87 PolarHBondContact O-N 3.41Å; R83-L393 HydrophobicContact CB-CD1 4.36Å |
| 84 | V | 92.8 | Very high | 90.2 | Very high | 3 Ų | 3 | 19.5 Ų | 19.5 | 2% | 0.018 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59.9 | -39.7 | 174.7 | 170 | 0 | 0 | 0 | 0 | 111 | Y47 V51 V80 M81 G82 K88 L543 | Y47-V84 HydrophobicContact CD2-CG1 4.3Å; Y47-V84 HydrophobicContact CE2-CG1 3.75Å; V51-V84 HydrophobicContact CG2-CG1 4.06Å; V51-V84 HydrophobicContact CG2-CG2 4.35Å; V80-V84 HydrophobicContact CG1-CG2 4.25Å; V80-V84 VanDerWaalsContact O-CG2 3.29Å; V80-V84 WeakPolarHBondContact O-CG2 3.41Å; V80-V84 PolarHBondContact O-N 3.26Å; M81-V84 PolarHBondContact O-N 2.93Å; G82-V84 PolarHBondContact O-N 3.03Å; V84-K88 VanDerWaalsContact O-CB 3.27Å; V84-K88 WeakPolarHBondContact O-CB 3.48Å; V84-K88 PolarHBondContact O-N 3.36Å; V84-L543 HydrophobicContact CG1-CD2 3.96Å |
| 85 | L | 91.6 | Very high | 89.8 | Confident | 11 Ų | 11 | 21.3 Ų | 21.3 | 6% | 0.058 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -68.7 | -41.4 | 176.6 | -67.8 | 174.3 | 0 | 0 | 0 | 112.6 | M81 G82 R83 Y89 L543 L547 P548 V554 A558 | M81-L85 WeakPolarHBondContact O-CG 3.3Å; M81-L85 PolarHBondContact O-N 2.87Å; G82-L85 WeakPolarHBondContact O-CB 3.49Å; G82-L85 PolarHBondContact O-N 3.45Å; G82-L85 VanDerWaalsContact O-N 3.17Å; R83-L85 VanDerWaalsContact C-N 3.28Å; R83-L85 PolarHBondContact O-N 3.42Å; L85-Y89 VanDerWaalsContact O-CB 3.24Å; L85-Y89 WeakPolarHBondContact O-CB 3.37Å; L85-Y89 PolarHBondContact O-N 3.36Å; L85-L543 HydrophobicContact CD2-CB 3.94Å; L85-L543 HydrophobicContact CD2-CD2 4.22Å; L85-L543 WeakPolarHBondContact CD2-O 3.32Å; L85-L547 HydrophobicContact CD1-CB 4.39Å; L85-L547 HydrophobicContact CD2-CD1 4.22Å; L85-P548 HydrophobicContact CD1-CG 4.21Å; L85-V554 HydrophobicContact CD1-CG1 3.62Å; L85-A558 HydrophobicContact CB-CB 4.42Å; L85-A558 HydrophobicContact CD1-CB 4.06Å |
| 86 | E | 91.9 | Very high | 89.4 | Confident | 20 Ų | 20 | 20 Ų | 20 | 9% | 0.093 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62.2 | -49.8 | 174.9 | -72.1 | 178.2 | 165.9 | 0 | 0 | 111.7 | G82 R83 K88 Y89 E90 S387 A388 F389 | G82-E86 PolarHBondContact O-N 3.41Å; R83-E86 IonicContact NH1-OE2 3.68Å; R83-E86 PolarHBondContact NH1-OE2 3.07Å; R83-E86 VanDerWaalsContact NH1-OE2 3.16Å; R83-E86 PolarHBondContact O-N 3.2Å; E86-K88 VanDerWaalsContact C-N 3.33Å; E86-K88 PolarHBondContact O-N 3.12Å; E86-Y89 WeakPolarHBondContact O-CB 3.24Å; E86-Y89 PolarHBondContact O-N 2.98Å; E86-Y89 VanDerWaalsContact O-N 3.15Å; E86-E90 WeakPolarHBondContact O-CB 3.48Å; E86-E90 PolarHBondContact O-N 3.31Å; E86-S387 WeakPolarHBondContact OE1-CA 3.35Å; E86-S387 PolarHBondContact OE1-OG 2.9Å; E86-S387 WeakPolarHBondContact OE2-CA 3.21Å; E86-S387 WeakPolarHBondContact OE2-CB 3.18Å; E86-S387 PolarHBondContact OE2-OG 3.35Å; E86-A388 PolarHBondContact OE1-N 2.64Å; E86-F389 HydrophobicContact CG-CD2 4.3Å; E86-F389 HydrophobicContact CG-CE2 4.39Å; E86-F389 VanDerWaalsContact OE1-CD2 3.3Å; E86-F389 WeakPolarHBondContact OE1-CD2 3.48Å |
| 87 | L | 91.2 | Very high | 89 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.4 | -44.5 | 177.9 | -73 | 173.9 | 0 | 0 | 0 | 111 | L43 L46 Y47 Y50 R83 Y89 E90 M91 | L43-L87 HydrophobicContact CD2-CD2 4.04Å; L46-L87 HydrophobicContact CB-CD1 4.21Å; Y47-L87 HydrophobicContact CD2-CB 4.29Å; Y50-L87 HydrophobicContact CD2-CD1 3.47Å; Y50-L87 VanDerWaalsContact CD2-CD1 3.47Å; Y50-L87 HydrophobicContact CE2-CD1 3.97Å; Y50-L87 HydrophobicContact CG-CD1 4.34Å; R83-L87 HydrophobicContact CG-CD1 4.14Å; R83-L87 HydrophobicContact CG-CG 4.42Å; R83-L87 WeakPolarHBondContact O-CB 3.34Å; R83-L87 WeakPolarHBondContact O-CG 3.49Å; R83-L87 PolarHBondContact O-N 3.41Å; L87-Y89 VanDerWaalsContact C-N 3.33Å; L87-Y89 PolarHBondContact O-N 2.94Å; L87-E90 PolarHBondContact O-N 2.97Å; L87-M91 WeakPolarHBondContact O-CB 3.45Å; L87-M91 VanDerWaalsContact O-CG 3.24Å; L87-M91 WeakPolarHBondContact O-CG 3.5Å; L87-M91 PolarHBondContact O-N 3.42Å |
| 88 | K | 91.2 | Very high | 88.5 | Confident | 12 Ų | 12 | 20.2 Ų | 20.2 | 5% | 0.052 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.3 | -45.2 | 175 | -179.5 | 68.7 | -179.9 | -177 | 0 | 111.3 | Y47 V84 E86 E90 M91 V92 E98 H100 L543 Y544 | Y47-K88 HydrophobicContact CD2-CB 4.42Å; Y47-K88 HydrophobicContact CE2-CB 3.98Å; Y47-K88 HydrophobicContact CE2-CD 4.24Å; V84-K88 VanDerWaalsContact O-CB 3.27Å; V84-K88 WeakPolarHBondContact O-CB 3.48Å; V84-K88 PolarHBondContact O-N 3.36Å; E86-K88 VanDerWaalsContact C-N 3.33Å; E86-K88 PolarHBondContact O-N 3.12Å; K88-E90 VanDerWaalsContact C-N 3.33Å; K88-M91 PolarHBondContact O-N 3.28Å; K88-V92 VanDerWaalsContact O-CG2 3.26Å; K88-V92 WeakPolarHBondContact O-CG2 3.24Å; K88-V92 PolarHBondContact O-N 3.28Å; K88-E98 WeakPolarHBondContact CE-O 3.38Å; K88-E98 PolarHBondContact NZ-O 3.05Å; K88-H100 PolarHBondContact NZ-ND1 2.98Å; K88-L543 HydrophobicContact CB-CD1 4.16Å; K88-L543 HydrophobicContact CD-CD1 3.78Å; K88-L543 HydrophobicContact CG-CD1 3.61Å; K88-Y544 HydrophobicContact CG-CE1 4.17Å |
| 89 | Y | 90.1 | Very high | 88.3 | Confident | 72 Ų | 72 | 18.9 Ų | 18.9 | 28% | 0.282 | 9% | 0.085 | S | C | . | . | H | α-helix | trans | -61.6 | -44.3 | 179.7 | -179 | -92.9 | 0 | 0 | 0 | 111 | L85 E86 L87 V92 E93 M385 P559 | L85-Y89 VanDerWaalsContact O-CB 3.24Å; L85-Y89 WeakPolarHBondContact O-CB 3.37Å; L85-Y89 PolarHBondContact O-N 3.36Å; E86-Y89 WeakPolarHBondContact O-CB 3.24Å; E86-Y89 PolarHBondContact O-N 2.98Å; E86-Y89 VanDerWaalsContact O-N 3.15Å; L87-Y89 VanDerWaalsContact C-N 3.33Å; L87-Y89 PolarHBondContact O-N 2.94Å; Y89-V92 PolarHBondContact O-N 3.03Å; Y89-E93 HydrophobicContact CD1-CG 4.22Å; Y89-E93 HydrophobicContact CE1-CG 3.76Å; Y89-E93 WeakPolarHBondContact CE1-OE1 3.15Å; Y89-E93 WeakPolarHBondContact O-CG 3.47Å; Y89-E93 PolarHBondContact O-N 3.04Å; Y89-E93 PolarHBondContact OH-OE1 2.9Å; Y89-M385 HydrophobicContact CD1-CE 3.81Å; Y89-M385 HydrophobicContact CE1-CE 4.13Å; Y89-P559 HydrophobicContact CD1-CB 4.31Å; Y89-P559 HydrophobicContact CD1-CG 3.97Å; Y89-P559 HydrophobicContact CD2-CB 3.64Å; Y89-P559 HydrophobicContact CD2-CG 4.03Å; Y89-P559 HydrophobicContact CE2-CB 3.95Å; Y89-P559 HydrophobicContact CG-CB 3.86Å; Y89-P559 HydrophobicContact CG-CG 3.69Å |
| 90 | E | 88.2 | Confident | 87.9 | Confident | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.009 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.5 | -46.2 | 175.5 | -174.5 | 165.1 | -175.6 | 0 | 0 | 111.9 | L43 E86 L87 K88 V92 E93 K94 M384 M385 | L43-E90 HydrophobicContact CD1-CG 3.98Å; L43-E90 HydrophobicContact CD2-CG 4.49Å; E86-E90 WeakPolarHBondContact O-CB 3.48Å; E86-E90 PolarHBondContact O-N 3.31Å; L87-E90 PolarHBondContact O-N 2.97Å; K88-E90 VanDerWaalsContact C-N 3.33Å; E90-V92 VanDerWaalsContact C-N 3.3Å; E90-V92 PolarHBondContact O-N 3.22Å; E90-E93 PolarHBondContact O-N 3.48Å; E90-E93 VanDerWaalsContact O-N 3.12Å; E90-K94 HydrophobicContact CG-CG 4.23Å; E90-K94 VanDerWaalsContact O-CG 3.27Å; E90-K94 WeakPolarHBondContact O-CG 3.27Å; E90-K94 PolarHBondContact O-N 3.42Å; E90-M384 WeakPolarHBondContact OE1-CA 3.34Å; E90-M385 HydrophobicContact CB-CE 3.64Å; E90-M385 HydrophobicContact CG-CE 3.92Å; E90-M385 PolarHBondContact OE1-N 2.99Å; E90-M385 PolarHBondContact OE2-N 3.03Å |
| 91 | M | 88.1 | Confident | 87.5 | Confident | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -56.1 | -45.1 | 175.5 | -71.4 | 174.4 | 72.8 | 0 | 0 | 111.6 | F40 L43 A44 Y47 L87 K88 E93 K94 E95 H100 | F40-M91 HydrophobicContact CE2-CB 4.13Å; F40-M91 HydrophobicContact CE2-CE 3.69Å; F40-M91 HydrophobicContact CE2-CG 4.06Å; F40-M91 HydrophobicContact CZ-CE 3.53Å; L43-M91 HydrophobicContact CB-CG 4.31Å; A44-M91 HydrophobicContact CB-CE 3.82Å; Y47-M91 HydrophobicContact CD1-SD 4.28Å; Y47-M91 HydrophobicContact CD2-SD 4.29Å; Y47-M91 HydrophobicContact CG-SD 3.84Å; L87-M91 WeakPolarHBondContact O-CB 3.45Å; L87-M91 VanDerWaalsContact O-CG 3.24Å; L87-M91 WeakPolarHBondContact O-CG 3.5Å; L87-M91 PolarHBondContact O-N 3.42Å; K88-M91 PolarHBondContact O-N 3.28Å; M91-E93 PolarHBondContact O-N 3.09Å; M91-K94 PolarHBondContact O-N 3.43Å; M91-E95 PolarHBondContact O-N 3.09Å; M91-H100 VanDerWaalsContact C-NE2 3.34Å; M91-H100 WeakPolarHBondContact CB-NE2 3.43Å; M91-H100 HydrophobicContact CE-CB 4.01Å; M91-H100 PolarHBondContact O-NE2 3.5Å |
| 92 | V | 87.9 | Confident | 87.1 | Confident | 3 Ų | 3 | 20.8 Ų | 20.8 | 2% | 0.018 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.4 | -40.8 | 176.7 | 175.9 | 0 | 0 | 0 | 0 | 112 | K88 Y89 E90 K94 F96 S97 Y544 L792 | K88-V92 VanDerWaalsContact O-CG2 3.26Å; K88-V92 WeakPolarHBondContact O-CG2 3.24Å; K88-V92 PolarHBondContact O-N 3.28Å; Y89-V92 PolarHBondContact O-N 3.03Å; E90-V92 VanDerWaalsContact C-N 3.3Å; E90-V92 PolarHBondContact O-N 3.22Å; V92-K94 VanDerWaalsContact C-N 3.33Å; V92-F96 WeakPolarHBondContact O-CA 3.3Å; V92-F96 PolarHBondContact O-N 3.03Å; V92-S97 WeakPolarHBondContact CG2-O 3.07Å; V92-Y544 WeakPolarHBondContact CG2-OH 3.34Å; V92-L792 HydrophobicContact CG1-CD2 4.35Å |
| 93 | E | 85.3 | Confident | 86.7 | Confident | 64 Ų | 64 | 22.1 Ų | 22.1 | 30% | 0.299 | 10% | 0.1 | S | C | . | . | H | α-helix | trans | -67.6 | -33.3 | 179.4 | -76.2 | -161.3 | 149 | 0 | 0 | 112.9 | Y89 E90 M91 F96 | Y89-E93 HydrophobicContact CD1-CG 4.22Å; Y89-E93 HydrophobicContact CE1-CG 3.76Å; Y89-E93 WeakPolarHBondContact CE1-OE1 3.15Å; Y89-E93 WeakPolarHBondContact O-CG 3.47Å; Y89-E93 PolarHBondContact O-N 3.04Å; Y89-E93 PolarHBondContact OH-OE1 2.9Å; E90-E93 PolarHBondContact O-N 3.48Å; E90-E93 VanDerWaalsContact O-N 3.12Å; M91-E93 PolarHBondContact O-N 3.09Å; E93-F96 WeakPolarHBondContact O-CD1 3.45Å; E93-F96 WeakPolarHBondContact O-CE1 3.43Å |
| 94 | K | 83.1 | Confident | 86.4 | Confident | 81 Ų | 81 | 26.4 Ų | 26.4 | 35% | 0.352 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -85.7 | -38 | -178.5 | -58.2 | -66.3 | -176.7 | 179.3 | 0 | 113 | F39 E90 M91 V92 L382 | F39-K94 HydrophobicContact CE1-CD 4.43Å; F39-K94 HydrophobicContact CE1-CG 4.28Å; E90-K94 HydrophobicContact CG-CG 4.23Å; E90-K94 VanDerWaalsContact O-CG 3.27Å; E90-K94 WeakPolarHBondContact O-CG 3.27Å; E90-K94 PolarHBondContact O-N 3.42Å; M91-K94 PolarHBondContact O-N 3.43Å; V92-K94 VanDerWaalsContact C-N 3.33Å; K94-L382 HydrophobicContact CD-CD2 4.01Å |
| 95 | E | 79.8 | Confident | 86 | Confident | 59 Ų | 59 | 27.2 Ų | 27.2 | 28% | 0.276 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -90.1 | -16.7 | 177.4 | -71.4 | -152.7 | 144.8 | 0 | 0 | 114.2 | F40 M91 S97 H100 R524 | F40-E95 WeakPolarHBondContact CD1-OE1 3.45Å; F40-E95 HydrophobicContact CD2-CG 3.55Å; F40-E95 WeakPolarHBondContact CE1-OE1 3.42Å; F40-E95 HydrophobicContact CE2-CG 3.36Å; F40-E95 WeakPolarHBondContact CE2-OE1 3.32Å; F40-E95 HydrophobicContact CG-CG 4.27Å; F40-E95 HydrophobicContact CZ-CG 3.95Å; F40-E95 WeakPolarHBondContact CZ-OE1 3.45Å; M91-E95 PolarHBondContact O-N 3.09Å; E95-S97 PolarHBondContact O-N 3.39Å; E95-H100 IonicContact OE2-CD2 2.88Å; E95-H100 PolarHBondContact OE2-CD2 3.39Å; E95-H100 IonicContact OE2-NE2 2.92Å; E95-R524 IonicContact OE2-NH1 3.91Å; E95-R524 PolarHBondContact OE2-NH1 3.06Å |
| 96 | F | 83 | Confident | 85.7 | Confident | 51 Ų | 51 | 27 Ų | 27 | 22% | 0.224 | 13% | 0.126 | C | C | . | . | S | Bend | trans | 57.4 | 30.2 | -172.7 | -47.9 | -67.6 | 0 | 0 | 0 | 113.8 | V92 E93 R795 R796 A799 | V92-F96 WeakPolarHBondContact O-CA 3.3Å; V92-F96 PolarHBondContact O-N 3.03Å; E93-F96 WeakPolarHBondContact O-CD1 3.45Å; E93-F96 WeakPolarHBondContact O-CE1 3.43Å; F96-R795 HydrophobicContact CB-CB 4.37Å; F96-R795 HydrophobicContact CD1-CB 3.66Å; F96-R795 HydrophobicContact CD1-CG 4.43Å; F96-R795 HydrophobicContact CE1-CB 4.03Å; F96-R795 HydrophobicContact CE1-CG 4.49Å; F96-R795 HydrophobicContact CG-CB 3.94Å; F96-R796 HydrophobicContact CB-CB 3.93Å; F96-A799 HydrophobicContact CD2-CB 3.85Å; F96-A799 HydrophobicContact CE2-CB 3.71Å |
| 97 | S | 83.1 | Confident | 85.4 | Confident | 3 Ų | 3 | 33.7 Ų | 33.7 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | trans | -130.3 | 142.8 | 173.2 | -163.7 | 0 | 0 | 0 | 0 | 110.6 | V92 E95 Y99 H100 R524 E529 | V92-S97 WeakPolarHBondContact CG2-O 3.07Å; E95-S97 PolarHBondContact O-N 3.39Å; S97-Y99 VanDerWaalsContact C-N 3.35Å; S97-Y99 PolarHBondContact OG-O 3.09Å; S97-H100 PolarHBondContact O-CE1 2.95Å; S97-H100 PolarHBondContact O-NE2 3.07Å; S97-R524 PolarHBondContact OG-NH2 3.33Å; S97-E529 PolarHBondContact OG-OE1 3.21Å | ||
| 98 | E | 83.1 | Confident | 85.2 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -78.6 | -26.3 | 174.8 | -61 | -70.3 | 175.9 | 0 | 0 | 111 | K88 H100 Y544 K691 L792 | K88-E98 WeakPolarHBondContact CE-O 3.38Å; K88-E98 PolarHBondContact NZ-O 3.05Å; E98-H100 PolarHBondContact O-ND1 3.47Å; E98-Y544 WeakPolarHBondContact OE2-CE2 3.48Å; E98-Y544 PolarHBondContact OE2-OH 2.88Å; E98-K691 VanDerWaalsContact CD-NZ 3.33Å; E98-K691 WeakPolarHBondContact OE1-CD 3.4Å; E98-K691 IonicContact OE1-NZ 2.85Å; E98-K691 PolarHBondContact OE1-NZ 3.03Å; E98-K691 IonicContact OE2-NZ 2.85Å; E98-K691 PolarHBondContact OE2-NZ 3.08Å; E98-L792 HydrophobicContact CG-CD1 4.11Å; E98-L792 WeakPolarHBondContact OE1-CD1 3.5Å |
| 99 | Y | 86.1 | Confident | 85 | Confident | 7 Ų | 7 | 39.6 Ų | 39.6 | 3% | 0.027 | 20% | 0.2 | C | C | . | . | trans | -102.5 | 134.2 | -176.6 | -52.2 | -69 | 0 | 0 | 0 | 109.9 | S97 R524 P532 D536 V537 V540 I693 L694 | S97-Y99 VanDerWaalsContact C-N 3.35Å; S97-Y99 PolarHBondContact OG-O 3.09Å; Y99-R524 PolarHBondContact O-NH2 3Å; Y99-P532 HydrophobicContact CD1-CB 3.66Å; Y99-P532 HydrophobicContact CD2-CB 3.54Å; Y99-P532 HydrophobicContact CD2-CG 3.92Å; Y99-P532 HydrophobicContact CE1-CB 3.58Å; Y99-P532 HydrophobicContact CE1-CG 4.27Å; Y99-P532 HydrophobicContact CE2-CB 3.44Å; Y99-P532 VanDerWaalsContact CE2-CB 3.44Å; Y99-P532 HydrophobicContact CE2-CG 3.44Å; Y99-P532 VanDerWaalsContact CE2-CG 3.44Å; Y99-P532 HydrophobicContact CG-CB 3.62Å; Y99-P532 HydrophobicContact CG-CG 4.48Å; Y99-P532 VanDerWaalsContact CZ-CB 3.44Å; Y99-D536 HydrophobicContact CD1-CB 3.73Å; Y99-D536 HydrophobicContact CE1-CB 4.14Å; Y99-V537 HydrophobicContact CE1-CG2 4.32Å; Y99-V540 HydrophobicContact CD1-CG2 3.97Å; Y99-V540 HydrophobicContact CE1-CG2 3.93Å; Y99-I693 VanDerWaalsContact OH-CG2 3.26Å; Y99-I693 WeakPolarHBondContact OH-CG2 3.42Å; Y99-L694 PolarHBondContact OH-N 3.42Å; Y99-L694 PolarHBondContact OH-O 3.35Å | ||
| 100 | H | 83.7 | Confident | 85 | Confident | 20 Ų | 20 | 45.3 Ų | 45.3 | 9% | 0.093 | 23% | 0.226 | C | C | . | . | trans | -134.7 | 127.1 | -177 | -56.8 | 74.6 | 0 | 0 | 0 | 107.8 | F40 K88 M91 E95 S97 E98 | F40-H100 AromaticContact CE2-CD2 3.78Å; F40-H100 AromaticContact CZ-CD2 3.68Å; K88-H100 PolarHBondContact NZ-ND1 2.98Å; M91-H100 VanDerWaalsContact C-NE2 3.34Å; M91-H100 WeakPolarHBondContact CB-NE2 3.43Å; M91-H100 HydrophobicContact CE-CB 4.01Å; M91-H100 PolarHBondContact O-NE2 3.5Å; E95-H100 IonicContact OE2-CD2 2.88Å; E95-H100 PolarHBondContact OE2-CD2 3.39Å; E95-H100 IonicContact OE2-NE2 2.92Å; S97-H100 PolarHBondContact O-CE1 2.95Å; S97-H100 PolarHBondContact O-NE2 3.07Å; E98-H100 PolarHBondContact O-ND1 3.47Å | ||
| 101 | Y | 83.2 | Confident | 85 | Confident | 13 Ų | 13 | 47.1 Ų | 47.1 | 5% | 0.051 | 24% | 0.235 | C | C | . | . | trans | -103.9 | 122.3 | 179.4 | -52.4 | -81.2 | 0 | 0 | 0 | 107.6 | N517 P530 M531 | Y101-N517 HydrophobicContact CE1-CB 3.98Å; Y101-P530 HydrophobicContact CD2-CG 3.91Å; Y101-P530 HydrophobicContact CE1-CG 4.47Å; Y101-P530 HydrophobicContact CE2-CB 4.33Å; Y101-P530 HydrophobicContact CE2-CG 3.18Å; Y101-M531 PolarHBondContact OH-O 3.21Å | ||
| 102 | V | 83.1 | Confident | 84.9 | Confident | 10 Ų | 10 | 51.5 Ų | 51.5 | 6% | 0.061 | 26% | 0.262 | C | S | . | . | trans | -121.6 | 35 | -170.2 | -67.5 | 0 | 0 | 0 | 0 | 111.1 | A44 V48 D104 I105 L106 L116 | A44-V102 HydrophobicContact CB-CG1 4.07Å; V48-V102 HydrophobicContact CG2-CB 4.47Å; V48-V102 HydrophobicContact CG2-CG2 4.04Å; V102-D104 VanDerWaalsContact C-N 3.33Å; V102-D104 PolarHBondContact O-N 2.9Å; V102-I105 HydrophobicContact CB-CB 4.31Å; V102-I105 HydrophobicContact CB-CD1 4.27Å; V102-I105 HydrophobicContact CG1-CD1 4.23Å; V102-I105 PolarHBondContact O-N 3.35Å; V102-I105 VanDerWaalsContact O-N 3.09Å; V102-L106 HydrophobicContact CG2-CG 4.24Å; V102-L106 WeakPolarHBondContact O-CG 3.41Å; V102-L106 PolarHBondContact O-N 3.19Å; V102-L116 HydrophobicContact CG2-CD1 3.61Å; V102-L116 HydrophobicContact CG2-CD2 4.13Å | ||
| 103 | D | 83.6 | Confident | 84.6 | Confident | 29 Ų | 29 | 52.2 Ų | 52.2 | 16% | 0.155 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.3 | -42.1 | -172.5 | -59.1 | -31.9 | 0 | 0 | 0 | 112.3 | I105 L106 H107 Y516 T521 | D103-I105 VanDerWaalsContact C-N 3.29Å; D103-I105 PolarHBondContact O-N 2.94Å; D103-L106 PolarHBondContact O-N 2.8Å; D103-H107 WeakPolarHBondContact O-CB 3.21Å; D103-H107 PolarHBondContact O-N 3.12Å; D103-Y516 WeakPolarHBondContact OD1-CE1 3.49Å; D103-Y516 VanDerWaalsContact OD1-CZ 3.22Å; D103-Y516 PolarHBondContact OD1-OH 2.99Å; D103-T521 VanDerWaalsContact CB-OG1 3.3Å; D103-T521 WeakPolarHBondContact CB-OG1 3.5Å; D103-T521 VanDerWaalsContact OD2-CB 3.29Å; D103-T521 WeakPolarHBondContact OD2-CB 3.47Å; D103-T521 PolarHBondContact OD2-N 3.4Å; D103-T521 PolarHBondContact OD2-OG1 2.95Å |
| 104 | D | 83.6 | Confident | 84.5 | Confident | 94 Ų | 94 | 52.7 Ų | 52.7 | 50% | 0.503 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.9 | -37.9 | 178.4 | -61.3 | -27.2 | 0 | 0 | 0 | 111.7 | V102 A108 | V102-D104 VanDerWaalsContact C-N 3.33Å; V102-D104 PolarHBondContact O-N 2.9Å; D104-A108 WeakPolarHBondContact O-CB 3.37Å; D104-A108 PolarHBondContact O-N 2.99Å |
| 105 | I | 84.4 | Confident | 84.5 | Confident | 20 Ų | 20 | 49.5 Ų | 49.5 | 10% | 0.103 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -74.4 | -41.6 | 179.7 | -59.6 | 172.8 | 0 | 0 | 0 | 110 | A44 V48 V102 D103 H107 A108 L109 | A44-I105 HydrophobicContact CB-CD1 3.33Å; V48-I105 HydrophobicContact CB-CG2 4.44Å; V48-I105 HydrophobicContact CG2-CG2 4.25Å; V102-I105 HydrophobicContact CB-CB 4.31Å; V102-I105 HydrophobicContact CB-CD1 4.27Å; V102-I105 HydrophobicContact CG1-CD1 4.23Å; V102-I105 PolarHBondContact O-N 3.35Å; V102-I105 VanDerWaalsContact O-N 3.09Å; D103-I105 VanDerWaalsContact C-N 3.29Å; D103-I105 PolarHBondContact O-N 2.94Å; I105-H107 VanDerWaalsContact C-N 3.29Å; I105-H107 PolarHBondContact O-N 3.09Å; I105-A108 PolarHBondContact O-N 3Å; I105-L109 HydrophobicContact CG2-CD1 3.89Å; I105-L109 HydrophobicContact CG2-CG 4.37Å; I105-L109 WeakPolarHBondContact O-CB 3.46Å; I105-L109 WeakPolarHBondContact O-CG 3.33Å; I105-L109 PolarHBondContact O-N 3.27Å |
| 106 | L | 85.9 | Confident | 84.7 | Confident | 6 Ų | 6 | 47.1 Ų | 47.1 | 3% | 0.031 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.5 | -44.9 | 173.2 | -72.2 | 179.5 | 0 | 0 | 0 | 111.1 | V48 V102 D103 L109 K110 L111 P113 L116 | V48-L106 HydrophobicContact CG1-CD2 4.42Å; V102-L106 HydrophobicContact CG2-CG 4.24Å; V102-L106 WeakPolarHBondContact O-CG 3.41Å; V102-L106 PolarHBondContact O-N 3.19Å; D103-L106 PolarHBondContact O-N 2.8Å; L106-L109 CarbonylContact O-C 3.54Å; L106-L109 PolarHBondContact O-N 2.69Å; L106-K110 PolarHBondContact O-N 3.08Å; L106-L111 HydrophobicContact CD2-CB 3.79Å; L106-L111 HydrophobicContact CD2-CD1 4.28Å; L106-L111 PolarHBondContact O-N 3.01Å; L106-P113 HydrophobicContact CD1-CB 4.49Å; L106-P113 HydrophobicContact CD1-CG 4.27Å; L106-L116 HydrophobicContact CD1-CD1 3.74Å; L106-L116 HydrophobicContact CD1-CG 4.26Å; L106-L116 HydrophobicContact CD2-CD1 4.1Å; L106-L116 HydrophobicContact CD2-CD2 3.87Å; L106-L116 HydrophobicContact CD2-CG 3.82Å; L106-L116 HydrophobicContact CG-CD1 4.23Å; L106-L116 HydrophobicContact CG-CG 4.49Å |
| 107 | H | 86.1 | Confident | 84.8 | Confident | 160 Ų | 160 | 47.5 Ų | 47.5 | 74% | 0.741 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -63.2 | -44.6 | 176.4 | -175.1 | -84.5 | 0 | 0 | 0 | 111.6 | D103 I105 L109 K110 | D103-H107 WeakPolarHBondContact O-CB 3.21Å; D103-H107 PolarHBondContact O-N 3.12Å; I105-H107 VanDerWaalsContact C-N 3.29Å; I105-H107 PolarHBondContact O-N 3.09Å; H107-L109 VanDerWaalsContact C-N 3.31Å; H107-L109 PolarHBondContact O-N 3.06Å; H107-K110 PolarHBondContact O-N 3.46Å; H107-K110 VanDerWaalsContact O-N 3.1Å |
| 108 | A | 87.4 | Confident | 85.1 | Confident | 76 Ų | 76 | 47.7 Ų | 47.7 | 63% | 0.628 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -60 | -39.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | D104 I105 K110 | D104-A108 WeakPolarHBondContact O-CB 3.37Å; D104-A108 PolarHBondContact O-N 2.99Å; I105-A108 PolarHBondContact O-N 3Å; A108-K110 VanDerWaalsContact C-N 3.31Å |
| 109 | L | 86.9 | Confident | 85.2 | Confident | 60 Ų | 60 | 48.9 Ų | 48.9 | 31% | 0.314 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 0.9 | 177.8 | -63 | 176.4 | 0 | 0 | 0 | 113.6 | V48 R49 I105 L106 H107 L111 | V48-L109 HydrophobicContact CB-CD1 4.25Å; V48-L109 HydrophobicContact CG1-CD1 3.69Å; R49-L109 HydrophobicContact CG-CD1 4.32Å; I105-L109 HydrophobicContact CG2-CD1 3.89Å; I105-L109 HydrophobicContact CG2-CG 4.37Å; I105-L109 WeakPolarHBondContact O-CB 3.46Å; I105-L109 WeakPolarHBondContact O-CG 3.33Å; I105-L109 PolarHBondContact O-N 3.27Å; L106-L109 CarbonylContact O-C 3.54Å; L106-L109 PolarHBondContact O-N 2.69Å; H107-L109 VanDerWaalsContact C-N 3.31Å; H107-L109 PolarHBondContact O-N 3.06Å; L109-L111 VanDerWaalsContact C-N 3.28Å; L109-L111 HydrophobicContact CB-CD1 3.73Å; L109-L111 HydrophobicContact CB-CG 3.79Å; L109-L111 HydrophobicContact CD1-CD1 4.06Å; L109-L111 PolarHBondContact O-N 3.01Å |
| 110 | K | 88.8 | Confident | 85.2 | Confident | 193 Ų | 193 | 50.3 Ų | 50.3 | 84% | 0.839 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 39.2 | -176.2 | -57.1 | 178.2 | -179.5 | 175 | 0 | 113.4 | L106 H107 A108 | L106-K110 PolarHBondContact O-N 3.08Å; H107-K110 PolarHBondContact O-N 3.46Å; H107-K110 VanDerWaalsContact O-N 3.1Å; A108-K110 VanDerWaalsContact C-N 3.31Å |
| 111 | L | 88.7 | Confident | 85.2 | Confident | 39 Ų | 39 | 49.4 Ų | 49.4 | 20% | 0.204 | 27% | 0.269 | C | S | . | . | trans | -104.7 | 148.1 | -179.1 | -58.3 | 174.8 | 0 | 0 | 0 | 111.9 | V48 Q52 L106 L109 A115 | V48-L111 HydrophobicContact CG1-CD1 3.81Å; Q52-L111 HydrophobicContact CG-CD1 4.06Å; L106-L111 HydrophobicContact CD2-CB 3.79Å; L106-L111 HydrophobicContact CD2-CD1 4.28Å; L106-L111 PolarHBondContact O-N 3.01Å; L109-L111 VanDerWaalsContact C-N 3.28Å; L109-L111 HydrophobicContact CB-CD1 3.73Å; L109-L111 HydrophobicContact CB-CG 3.79Å; L109-L111 HydrophobicContact CD1-CD1 4.06Å; L109-L111 PolarHBondContact O-N 3.01Å; L111-A115 HydrophobicContact CB-CB 4.22Å | ||
| 112 | T | 86 | Confident | 84.8 | Confident | 93 Ų | 93 | 53 Ų | 53 | 57% | 0.571 | 28% | 0.283 | S | S | * | . | trans | -91.9 | 151 | 171.2 | 59.4 | 0 | 0 | 0 | 0 | 110.5 | P114 A115 | T112-P114 VanDerWaalsContact C-N 3.32Å; T112-P114 VanDerWaalsContact O-N 3.13Å; T112-A115 WeakPolarHBondContact O-CB 3.43Å; T112-A115 PolarHBondContact O-N 2.96Å | ||
| 113 | P | 81.8 | Confident | 84.4 | Confident | 19 Ų | 19 | 53.3 Ų | 53.3 | 12% | 0.123 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -53.5 | -32.6 | -179.5 | -27.2 | 34.8 | 0 | 0 | 0 | 116.9 | L106 A115 L116 Y516 Y518 | L106-P113 HydrophobicContact CD1-CB 4.49Å; L106-P113 HydrophobicContact CD1-CG 4.27Å; P113-A115 PolarHBondContact O-N 3.12Å; P113-L116 WeakPolarHBondContact O-CB 3.5Å; P113-L116 PolarHBondContact O-N 3.31Å; P113-Y516 HydrophobicContact CB-CD1 3.69Å; P113-Y516 HydrophobicContact CB-CD2 3.95Å; P113-Y516 HydrophobicContact CB-CE1 4.27Å; P113-Y516 HydrophobicContact CB-CE2 4.5Å; P113-Y516 HydrophobicContact CB-CG 3.49Å; P113-Y516 VanDerWaalsContact CB-CG 3.49Å; P113-Y516 HydrophobicContact CG-CD1 3.69Å; P113-Y516 HydrophobicContact CG-CE1 4.14Å; P113-Y516 HydrophobicContact CG-CG 4.04Å; P113-Y518 HydrophobicContact CG-CD1 4.41Å; P113-Y518 HydrophobicContact CG-CE1 3.69Å |
| 114 | P | 82.9 | Confident | 84.1 | Confident | 73 Ų | 73 | 52.1 Ų | 52.1 | 47% | 0.474 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -55.5 | -22.4 | 170.9 | -28.8 | 36.7 | 0 | 0 | 0 | 114.1 | R55 T112 L116 E117 | R55-P114 PolarHBondContact NH1-O 2.97Å; T112-P114 VanDerWaalsContact C-N 3.32Å; T112-P114 VanDerWaalsContact O-N 3.13Å; P114-L116 PolarHBondContact O-N 3.08Å; P114-E117 WeakPolarHBondContact O-CB 3.47Å; P114-E117 PolarHBondContact O-N 3.03Å |
| 115 | A | 83.6 | Confident | 83.4 | Confident | 15 Ų | 15 | 49.9 Ų | 49.9 | 12% | 0.124 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -66.4 | -22.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | R55 L111 T112 P113 E117 | R55-A115 VanDerWaalsContact CD-O 3.28Å; R55-A115 WeakPolarHBondContact CD-O 3.36Å; R55-A115 PolarHBondContact NH1-O 3.21Å; L111-A115 HydrophobicContact CB-CB 4.22Å; T112-A115 WeakPolarHBondContact O-CB 3.43Å; T112-A115 PolarHBondContact O-N 2.96Å; P113-A115 PolarHBondContact O-N 3.12Å; A115-E117 VanDerWaalsContact C-N 3.3Å |
| 116 | L | 84.6 | Confident | 82.4 | Confident | 8 Ų | 8 | 49.5 Ų | 49.5 | 4% | 0.042 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -80.8 | -9.9 | 175.3 | -65.9 | 178.6 | 0 | 0 | 0 | 113.6 | V48 V102 L106 P113 P114 I118 Y516 Q539 | V48-L116 HydrophobicContact CG1-CD2 4.16Å; V48-L116 HydrophobicContact CG2-CD2 3.83Å; V102-L116 HydrophobicContact CG2-CD1 3.61Å; V102-L116 HydrophobicContact CG2-CD2 4.13Å; L106-L116 HydrophobicContact CD1-CD1 3.74Å; L106-L116 HydrophobicContact CD1-CG 4.26Å; L106-L116 HydrophobicContact CD2-CD1 4.1Å; L106-L116 HydrophobicContact CD2-CD2 3.87Å; L106-L116 HydrophobicContact CD2-CG 3.82Å; L106-L116 HydrophobicContact CG-CD1 4.23Å; L106-L116 HydrophobicContact CG-CG 4.49Å; P113-L116 WeakPolarHBondContact O-CB 3.5Å; P113-L116 PolarHBondContact O-N 3.31Å; P114-L116 PolarHBondContact O-N 3.08Å; L116-I118 PolarHBondContact O-N 3.13Å; L116-Y516 HydrophobicContact CD1-CE2 4.2Å; L116-Q539 PolarHBondContact O-NE2 3.37Å |
| 117 | E | 84.6 | Confident | 81.2 | Confident | 60 Ų | 60 | 54.1 Ų | 54.1 | 28% | 0.28 | 29% | 0.288 | S | S | . | . | trans | -64 | 125.8 | 176.5 | -176.7 | 162.3 | -157.8 | 0 | 0 | 110.3 | R55 P114 A115 P119 R538 | R55-E117 PolarHBondContact NH1-O 3.44Å; P114-E117 WeakPolarHBondContact O-CB 3.47Å; P114-E117 PolarHBondContact O-N 3.03Å; A115-E117 VanDerWaalsContact C-N 3.3Å; E117-P119 VanDerWaalsContact O-CD 3.32Å; E117-P119 WeakPolarHBondContact O-CD 3.36Å; E117-R538 IonicContact OE1-CZ 3.79Å; E117-R538 IonicContact OE1-NE 3.43Å; E117-R538 PolarHBondContact OE1-NE 3.17Å; E117-R538 VanDerWaalsContact OE1-NE 3.13Å; E117-R538 IonicContact OE1-NH2 3.76Å; E117-R538 PolarHBondContact OE1-NH2 3.38Å; E117-R538 IonicContact OE2-NH2 2.7Å; E117-R538 PolarHBondContact OE2-NH2 3Å | ||
| 118 | I | 88.9 | Confident | 80 | Confident | 6 Ų | 6 | 49.9 Ų | 49.9 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | trans | -79.3 | 114.5 | 177.1 | -63.4 | 135 | 0 | 0 | 0 | 107.5 | F54 L116 Q539 L543 L547 | F54-I118 HydrophobicContact CE1-CG2 3.86Å; L116-I118 PolarHBondContact O-N 3.13Å; I118-Q539 HydrophobicContact CD1-CB 3.86Å; I118-Q539 HydrophobicContact CD1-CG 4.25Å; I118-Q539 WeakPolarHBondContact CD1-O 3.48Å; I118-L543 HydrophobicContact CD1-CD1 3.88Å; I118-L543 HydrophobicContact CD1-CD2 3.37Å; I118-L543 HydrophobicContact CD1-CG 3.37Å; I118-L543 HydrophobicContact CG1-CD2 3.81Å; I118-L543 HydrophobicContact CG1-CG 4.35Å; I118-L543 HydrophobicContact CG2-CD2 4.27Å; I118-L547 HydrophobicContact CG2-CD1 3.99Å; I118-L547 HydrophobicContact CG2-CD2 4.24Å; I118-L547 HydrophobicContact CG2-CG 4.46Å | ||
| 119 | P | 86 | Confident | 78.8 | Confident | 26 Ų | 26 | 47.1 Ų | 47.1 | 17% | 0.169 | 24% | 0.242 | C | C | . | . | trans | -65.7 | 146.6 | 174.4 | 28.7 | -34.4 | 0 | 0 | 0 | 109.4 | F54 R55 E58 E117 P121 | F54-P119 HydrophobicContact CD1-CG 3.68Å; F54-P119 HydrophobicContact CE1-CG 3.5Å; F54-P119 WeakPolarHBondContact CE1-O 3.41Å; F54-P119 HydrophobicContact CZ-CG 4.4Å; R55-P119 HydrophobicContact CB-CG 4.5Å; R55-P119 HydrophobicContact CG-CG 3.81Å; E58-P119 HydrophobicContact CB-CG 4.2Å; E58-P119 HydrophobicContact CG-CB 4.14Å; E58-P119 HydrophobicContact CG-CG 4.23Å; E117-P119 VanDerWaalsContact O-CD 3.32Å; E117-P119 WeakPolarHBondContact O-CD 3.36Å; P119-P121 WeakPolarHBondContact O-CD 3.25Å | ||
| 120 | I | 86.4 | Confident | 77.7 | Confident | 37 Ų | 37 | 51 Ų | 51 | 19% | 0.19 | 26% | 0.257 | C | S | . | . | trans | -91.7 | 111 | 173 | -62.7 | 175.5 | 0 | 0 | 0 | 106.5 | Y122 F124 M509 I546 E584 | I120-Y122 PolarHBondContact O-N 3.24Å; I120-F124 HydrophobicContact CG2-CD2 4.27Å; I120-M509 HydrophobicContact CD1-CB 3.67Å; I120-M509 HydrophobicContact CD1-CG 3.83Å; I120-I546 HydrophobicContact CD1-CD1 3.86Å; I120-I546 HydrophobicContact CG1-CD1 4.47Å; I120-I546 HydrophobicContact CG1-CG2 4.37Å; I120-I546 HydrophobicContact CG2-CG2 3.96Å; I120-E584 HydrophobicContact CD1-CB 4.16Å; I120-E584 HydrophobicContact CD1-CG 3.68Å; I120-E584 HydrophobicContact CG2-CB 4.17Å | ||
| 121 | P | 82.8 | Confident | 76.6 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | trans | -61.2 | 128.4 | -175 | -23.6 | 33.4 | 0 | 0 | 0 | 112.4 | F54 E58 L77 P119 F123 F124 L547 | F54-P121 HydrophobicContact CE2-CG 4.22Å; F54-P121 HydrophobicContact CZ-CG 3.7Å; E58-P121 HydrophobicContact CG-CB 4.5Å; L77-P121 HydrophobicContact CD2-CB 4.41Å; L77-P121 HydrophobicContact CD2-CG 4.13Å; P119-P121 WeakPolarHBondContact O-CD 3.25Å; P121-F123 HydrophobicContact CB-CD1 3.51Å; P121-F123 HydrophobicContact CB-CE1 3.17Å; P121-F123 HydrophobicContact CB-CG 4.47Å; P121-F123 HydrophobicContact CB-CZ 3.93Å; P121-F123 HydrophobicContact CG-CE1 4Å; P121-F123 HydrophobicContact CG-CZ 4.46Å; P121-F123 PolarHBondContact O-N 3.15Å; P121-F124 HydrophobicContact CB-CD1 4.19Å; P121-F124 HydrophobicContact CB-CE1 4.02Å; P121-F124 HydrophobicContact CB-CZ 4.22Å; P121-F124 HydrophobicContact CG-CE1 4Å; P121-F124 HydrophobicContact CG-CE2 4.16Å; P121-F124 HydrophobicContact CG-CZ 3.75Å; P121-F124 WeakPolarHBondContact O-CB 3.36Å; P121-F124 WeakPolarHBondContact O-CG 3.4Å; P121-F124 PolarHBondContact O-N 3.45Å; P121-L547 HydrophobicContact CG-CD2 4.47Å | ||
| 122 | Y | 74.6 | Confident | 75.4 | Confident | 89 Ų | 89 | 44.9 Ų | 44.9 | 35% | 0.349 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -30 | -176.5 | -175.7 | -99.5 | 0 | 0 | 0 | 113.8 | N62 I120 F124 V125 G126 R264 | N62-Y122 WeakPolarHBondContact OD1-CB 3Å; I120-Y122 PolarHBondContact O-N 3.24Å; Y122-F124 PolarHBondContact O-N 3.38Å; Y122-F124 VanDerWaalsContact O-N 3.11Å; Y122-V125 PolarHBondContact O-N 3.46Å; Y122-G126 PolarHBondContact O-N 3.16Å; Y122-R264 HydrophobicContact CE1-CG 4.4Å; Y122-R264 VanDerWaalsContact CZ-CZ 3.45Å; Y122-R264 WeakPolarHBondContact OH-CD 3.24Å; Y122-R264 PolarHBondContact OH-NE 2.97Å; Y122-R264 PolarHBondContact OH-NH1 2.85Å |
| 123 | F | 75.7 | Confident | 74.4 | Confident | 15 Ų | 15 | 46.1 Ų | 46.1 | 7% | 0.066 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.3 | -18.4 | -178.5 | 69.3 | -94.2 | 0 | 0 | 0 | 113.7 | L74 L77 P121 V125 E127 | L74-F123 HydrophobicContact CD1-CB 4.37Å; L74-F123 HydrophobicContact CD1-CD1 3.6Å; L74-F123 HydrophobicContact CD1-CD2 3.82Å; L74-F123 HydrophobicContact CD1-CE1 3.67Å; L74-F123 HydrophobicContact CD1-CE2 3.89Å; L74-F123 HydrophobicContact CD1-CG 3.67Å; L74-F123 HydrophobicContact CD1-CZ 3.82Å; L77-F123 HydrophobicContact CD1-CE1 4.13Å; L77-F123 HydrophobicContact CD2-CE1 3.45Å; L77-F123 VanDerWaalsContact CD2-CE1 3.45Å; L77-F123 HydrophobicContact CD2-CZ 3.8Å; L77-F123 HydrophobicContact CG-CE1 4.4Å; P121-F123 HydrophobicContact CB-CD1 3.51Å; P121-F123 HydrophobicContact CB-CE1 3.17Å; P121-F123 HydrophobicContact CB-CG 4.47Å; P121-F123 HydrophobicContact CB-CZ 3.93Å; P121-F123 HydrophobicContact CG-CE1 4Å; P121-F123 HydrophobicContact CG-CZ 4.46Å; P121-F123 PolarHBondContact O-N 3.15Å; F123-V125 PolarHBondContact O-N 3.48Å; F123-E127 HydrophobicContact CB-CB 4.38Å; F123-E127 HydrophobicContact CB-CG 3.83Å; F123-E127 PolarHBondContact O-N 3.49Å |
| 124 | F | 76.5 | Confident | 73.8 | Confident | 5 Ų | 5 | 51.2 Ų | 51.2 | 2% | 0.022 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -55 | -41 | 176.8 | -71.7 | -1.8 | 0 | 0 | 0 | 112.5 | M81 I120 P121 Y122 I546 L547 A551 | M81-F124 HydrophobicContact CE-CE1 4.29Å; M81-F124 HydrophobicContact CE-CZ 4.12Å; M81-F124 HydrophobicContact SD-CE1 4.32Å; M81-F124 HydrophobicContact SD-CZ 3.78Å; I120-F124 HydrophobicContact CG2-CD2 4.27Å; P121-F124 HydrophobicContact CB-CD1 4.19Å; P121-F124 HydrophobicContact CB-CE1 4.02Å; P121-F124 HydrophobicContact CB-CZ 4.22Å; P121-F124 HydrophobicContact CG-CE1 4Å; P121-F124 HydrophobicContact CG-CE2 4.16Å; P121-F124 HydrophobicContact CG-CZ 3.75Å; P121-F124 WeakPolarHBondContact O-CB 3.36Å; P121-F124 WeakPolarHBondContact O-CG 3.4Å; P121-F124 PolarHBondContact O-N 3.45Å; Y122-F124 PolarHBondContact O-N 3.38Å; Y122-F124 VanDerWaalsContact O-N 3.11Å; F124-I546 HydrophobicContact CD2-CG2 4.19Å; F124-I546 HydrophobicContact CE2-CG2 4.04Å; F124-L547 HydrophobicContact CE2-CD2 4.13Å; F124-L547 HydrophobicContact CZ-CD2 4.1Å; F124-A551 HydrophobicContact CE1-CB 4.33Å |
| 125 | V | 69.1 | Low | 73.2 | Confident | 47 Ų | 47 | 50.6 Ų | 50.6 | 29% | 0.285 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -108 | -33.5 | 178.2 | -176.1 | 0 | 0 | 0 | 0 | 111.3 | Y122 F123 R128 S129 E584 | Y122-V125 PolarHBondContact O-N 3.46Å; F123-V125 PolarHBondContact O-N 3.48Å; V125-R128 CarbonylContact O-C 3.6Å; V125-S129 WeakPolarHBondContact O-CA 3.42Å; V125-S129 WeakPolarHBondContact O-CB 3.4Å; V125-S129 PolarHBondContact O-N 3.19Å; V125-E584 VanDerWaalsContact CG2-O 3.25Å; V125-E584 WeakPolarHBondContact CG2-O 3.14Å |
| 126 | G | 62.8 | Low | 72.4 | Confident | 12 Ų | 12 | 53.5 Ų | 53.5 | 12% | 0.124 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -68.7 | -51.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y122 R128 S129 | Y122-G126 PolarHBondContact O-N 3.16Å; G126-R128 VanDerWaalsContact C-N 3.35Å; G126-S129 VanDerWaalsContact O-CB 3.25Å; G126-S129 WeakPolarHBondContact O-CB 3.34Å; G126-S129 PolarHBondContact O-N 2.93Å; G126-S129 PolarHBondContact O-OG 3.47Å |
| 127 | E | 60.7 | Low | 71.6 | Confident | 102 Ų | 102 | 56.5 Ų | 56.5 | 48% | 0.477 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -29.6 | -176.4 | -70.2 | -177.2 | 174.7 | 0 | 0 | 112 | H61 F123 S129 | H61-E127 IonicContact CE1-OE1 2.82Å; H61-E127 IonicContact NE2-OE1 3.43Å; F123-E127 HydrophobicContact CB-CB 4.38Å; F123-E127 HydrophobicContact CB-CG 3.83Å; F123-E127 PolarHBondContact O-N 3.49Å; E127-S129 VanDerWaalsContact C-N 3.34Å |
| 128 | R | 61 | Low | 70.9 | Confident | 71 Ų | 71 | 56 Ų | 56 | 27% | 0.268 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 15.9 | 172.8 | -62.9 | -176.9 | 178.6 | 142.4 | -0.5 | 113.5 | V125 G126 K130 E131 T132 G550 | V125-R128 CarbonylContact O-C 3.6Å; G126-R128 VanDerWaalsContact C-N 3.35Å; R128-K130 VanDerWaalsContact C-N 3.3Å; R128-K130 PolarHBondContact O-N 3.21Å; R128-E131 PolarHBondContact O-N 3.29Å; R128-T132 VanDerWaalsContact O-CB 3.29Å; R128-T132 WeakPolarHBondContact O-CB 3.34Å; R128-T132 PolarHBondContact O-N 2.85Å; R128-T132 PolarHBondContact O-OG1 3.34Å; R128-G550 PolarHBondContact NH1-O 3.39Å |
| 129 | S | 63.6 | Low | 69.8 | Low | 18 Ų | 18 | 56.8 Ų | 56.8 | 13% | 0.126 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.3 | -43 | -172.5 | 47.6 | 0 | 0 | 0 | 0 | 112 | V125 G126 E127 T132 E133 | V125-S129 WeakPolarHBondContact O-CA 3.42Å; V125-S129 WeakPolarHBondContact O-CB 3.4Å; V125-S129 PolarHBondContact O-N 3.19Å; G126-S129 VanDerWaalsContact O-CB 3.25Å; G126-S129 WeakPolarHBondContact O-CB 3.34Å; G126-S129 PolarHBondContact O-N 2.93Å; G126-S129 PolarHBondContact O-OG 3.47Å; E127-S129 VanDerWaalsContact C-N 3.34Å; S129-T132 PolarHBondContact O-N 3.4Å; S129-E133 WeakPolarHBondContact O-CA 3.49Å; S129-E133 WeakPolarHBondContact O-CB 3.46Å; S129-E133 WeakPolarHBondContact O-CG 3.42Å; S129-E133 PolarHBondContact O-N 3.09Å |
| 130 | K | 63.1 | Low | 69 | Low | 143 Ų | 143 | 57.8 Ų | 57.8 | 62% | 0.622 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -59 | -54.5 | 177.5 | -66.2 | -175.6 | 179.1 | 179.9 | 0 | 112.3 | R128 T132 E133 E134 | R128-K130 VanDerWaalsContact C-N 3.3Å; R128-K130 PolarHBondContact O-N 3.21Å; K130-T132 VanDerWaalsContact C-N 3.34Å; K130-T132 PolarHBondContact O-N 3.25Å; K130-E133 PolarHBondContact O-N 2.92Å; K130-E134 WeakPolarHBondContact O-CB 3.39Å; K130-E134 VanDerWaalsContact O-CG 3.24Å; K130-E134 WeakPolarHBondContact O-CG 3.43Å; K130-E134 PolarHBondContact O-N 3.1Å |
| 131 | E | 64.9 | Low | 68.1 | Low | 90 Ų | 90 | 60.5 Ų | 60.5 | 42% | 0.421 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.3 | -38.3 | -180 | -175.9 | 179.5 | -153.2 | 0 | 0 | 112.2 | R128 R135 | R128-E131 PolarHBondContact O-N 3.29Å; E131-R135 WeakPolarHBondContact O-CB 3.42Å; E131-R135 VanDerWaalsContact O-CD 3.26Å; E131-R135 WeakPolarHBondContact O-CD 3.33Å; E131-R135 WeakPolarHBondContact O-CG 3.33Å; E131-R135 PolarHBondContact O-N 3.37Å; E131-R135 VanDerWaalsContact O-N 3.07Å; E131-R135 IonicContact OE1-CZ 3.75Å; E131-R135 IonicContact OE1-NE 3.54Å; E131-R135 IonicContact OE1-NH2 2.86Å; E131-R135 PolarHBondContact OE1-NH2 3.12Å; E131-R135 IonicContact OE2-NH2 3.39Å |
| 132 | T | 64.1 | Low | 67.4 | Low | 13 Ų | 13 | 61.1 Ų | 61.1 | 8% | 0.08 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -72.3 | -36.1 | 178.5 | -51.8 | 0 | 0 | 0 | 0 | 111.4 | R128 S129 K130 K136 | R128-T132 VanDerWaalsContact O-CB 3.29Å; R128-T132 WeakPolarHBondContact O-CB 3.34Å; R128-T132 PolarHBondContact O-N 2.85Å; R128-T132 PolarHBondContact O-OG1 3.34Å; S129-T132 PolarHBondContact O-N 3.4Å; K130-T132 VanDerWaalsContact C-N 3.34Å; K130-T132 PolarHBondContact O-N 3.25Å; T132-K136 HydrophobicContact CG2-CD 4.25Å; T132-K136 VanDerWaalsContact O-CB 3.27Å; T132-K136 WeakPolarHBondContact O-CB 3.39Å; T132-K136 WeakPolarHBondContact O-CG 3.24Å; T132-K136 PolarHBondContact O-N 3.44Å |
| 133 | E | 66 | Low | 66.9 | Low | 119 Ų | 119 | 57.8 Ų | 57.8 | 56% | 0.556 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -70.3 | -47.8 | 175.4 | -77.9 | 170.7 | -177.8 | 0 | 0 | 110.8 | S129 K130 R135 K136 T137 | S129-E133 WeakPolarHBondContact O-CA 3.49Å; S129-E133 WeakPolarHBondContact O-CB 3.46Å; S129-E133 WeakPolarHBondContact O-CG 3.42Å; S129-E133 PolarHBondContact O-N 3.09Å; K130-E133 PolarHBondContact O-N 2.92Å; E133-R135 VanDerWaalsContact C-N 3.29Å; E133-R135 PolarHBondContact O-N 2.89Å; E133-K136 CarbonylContact O-C 3.56Å; E133-K136 WeakPolarHBondContact O-CA 3.49Å; E133-K136 WeakPolarHBondContact O-CB 3.35Å; E133-K136 PolarHBondContact O-N 3.34Å; E133-T137 WeakPolarHBondContact O-CG2 3.38Å; E133-T137 PolarHBondContact O-N 3.38Å; E133-T137 PolarHBondContact O-OG1 2.84Å |
| 134 | E | 68.4 | Low | 66.5 | Low | 126 Ų | 126 | 61.8 Ų | 61.8 | 59% | 0.589 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -58 | -40.2 | 175.8 | -74.4 | 166.8 | -166.9 | 0 | 0 | 112.1 | K130 T137 M138 | K130-E134 WeakPolarHBondContact O-CB 3.39Å; K130-E134 VanDerWaalsContact O-CG 3.24Å; K130-E134 WeakPolarHBondContact O-CG 3.43Å; K130-E134 PolarHBondContact O-N 3.1Å; E134-T137 VanDerWaalsContact CA-OG1 3.3Å; E134-T137 WeakPolarHBondContact CA-OG1 3.25Å; E134-T137 PolarHBondContact O-OG1 2.91Å; E134-M138 VanDerWaalsContact O-CB 3.3Å; E134-M138 WeakPolarHBondContact O-CB 3.18Å; E134-M138 PolarHBondContact O-N 2.74Å |
| 135 | R | 69 | Low | 65.8 | Low | 60 Ų | 60 | 68.2 Ų | 68.2 | 23% | 0.226 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -69.3 | -41.3 | 173.3 | -70.4 | 167.2 | -174.9 | -172.4 | 0.1 | 112.1 | E131 E133 T137 M138 V139 Q622 | E131-R135 WeakPolarHBondContact O-CB 3.42Å; E131-R135 VanDerWaalsContact O-CD 3.26Å; E131-R135 WeakPolarHBondContact O-CD 3.33Å; E131-R135 WeakPolarHBondContact O-CG 3.33Å; E131-R135 PolarHBondContact O-N 3.37Å; E131-R135 VanDerWaalsContact O-N 3.07Å; E131-R135 IonicContact OE1-CZ 3.75Å; E131-R135 IonicContact OE1-NE 3.54Å; E131-R135 IonicContact OE1-NH2 2.86Å; E131-R135 PolarHBondContact OE1-NH2 3.12Å; E131-R135 IonicContact OE2-NH2 3.39Å; E133-R135 VanDerWaalsContact C-N 3.29Å; E133-R135 PolarHBondContact O-N 2.89Å; R135-T137 VanDerWaalsContact C-N 3.34Å; R135-M138 PolarHBondContact O-N 3.43Å; R135-V139 WeakPolarHBondContact O-CB 3.44Å; R135-V139 VanDerWaalsContact O-CG2 3.28Å; R135-V139 WeakPolarHBondContact O-CG2 3.3Å; R135-V139 PolarHBondContact O-N 3.36Å; R135-Q622 PolarHBondContact NH1-O 3Å |
| 136 | K | 67.6 | Low | 65.2 | Low | 76 Ų | 76 | 67.8 Ų | 67.8 | 33% | 0.33 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.7 | -43.1 | 176.2 | -82.4 | 171.5 | -179.5 | 175.6 | 0 | 110.2 | T132 E133 V139 L140 | T132-K136 HydrophobicContact CG2-CD 4.25Å; T132-K136 VanDerWaalsContact O-CB 3.27Å; T132-K136 WeakPolarHBondContact O-CB 3.39Å; T132-K136 WeakPolarHBondContact O-CG 3.24Å; T132-K136 PolarHBondContact O-N 3.44Å; E133-K136 CarbonylContact O-C 3.56Å; E133-K136 WeakPolarHBondContact O-CA 3.49Å; E133-K136 WeakPolarHBondContact O-CB 3.35Å; E133-K136 PolarHBondContact O-N 3.34Å; K136-V139 PolarHBondContact O-N 2.96Å; K136-L140 WeakPolarHBondContact O-CB 3.4Å; K136-L140 WeakPolarHBondContact O-CD1 3.36Å; K136-L140 WeakPolarHBondContact O-CG 3.36Å; K136-L140 PolarHBondContact O-N 3.36Å |
| 137 | T | 68 | Low | 64.6 | Low | 70 Ų | 70 | 72 Ų | 72 | 43% | 0.429 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.9 | -46 | 176.4 | 52.9 | 0 | 0 | 0 | 0 | 110.4 | E133 E134 R135 V139 L140 D141 | E133-T137 WeakPolarHBondContact O-CG2 3.38Å; E133-T137 PolarHBondContact O-N 3.38Å; E133-T137 PolarHBondContact O-OG1 2.84Å; E134-T137 VanDerWaalsContact CA-OG1 3.3Å; E134-T137 WeakPolarHBondContact CA-OG1 3.25Å; E134-T137 PolarHBondContact O-OG1 2.91Å; R135-T137 VanDerWaalsContact C-N 3.34Å; T137-V139 PolarHBondContact O-N 3.02Å; T137-L140 CarbonylContact O-C 3.54Å; T137-L140 WeakPolarHBondContact O-CB 3.24Å; T137-L140 PolarHBondContact O-N 3.47Å; T137-L140 VanDerWaalsContact O-N 3.1Å; T137-D141 WeakPolarHBondContact O-CB 3.08Å; T137-D141 PolarHBondContact O-N 3.44Å |
| 138 | M | 69.6 | Low | 63.9 | Low | 51 Ų | 51 | 70.5 Ų | 70.5 | 25% | 0.251 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -56.3 | -48.1 | 174.9 | -176.5 | -162.9 | -174.2 | 0 | 0 | 112.2 | E134 R135 L140 D141 V142 E489 | E134-M138 VanDerWaalsContact O-CB 3.3Å; E134-M138 WeakPolarHBondContact O-CB 3.18Å; E134-M138 PolarHBondContact O-N 2.74Å; R135-M138 PolarHBondContact O-N 3.43Å; M138-L140 VanDerWaalsContact C-N 3.34Å; M138-D141 PolarHBondContact O-N 3.14Å; M138-V142 VanDerWaalsContact O-CG2 3.29Å; M138-V142 WeakPolarHBondContact O-CG2 3.29Å; M138-V142 PolarHBondContact O-N 3.39Å; M138-V142 VanDerWaalsContact O-N 3.09Å; M138-E489 HydrophobicContact CE-CB 4.39Å; M138-E489 HydrophobicContact CE-CG 3.21Å |
| 139 | V | 67.2 | Low | 63.3 | Low | 22 Ų | 22 | 72.2 Ų | 72.2 | 13% | 0.133 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -67.9 | -35.9 | 177.7 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | R135 K136 T137 L143 L501 | R135-V139 WeakPolarHBondContact O-CB 3.44Å; R135-V139 VanDerWaalsContact O-CG2 3.28Å; R135-V139 WeakPolarHBondContact O-CG2 3.3Å; R135-V139 PolarHBondContact O-N 3.36Å; K136-V139 PolarHBondContact O-N 2.96Å; T137-V139 PolarHBondContact O-N 3.02Å; V139-L143 HydrophobicContact CG1-CD1 3.69Å; V139-L143 HydrophobicContact CG1-CG 4.25Å; V139-L143 VanDerWaalsContact O-CB 3.24Å; V139-L143 WeakPolarHBondContact O-CB 3.47Å; V139-L143 WeakPolarHBondContact O-CD1 3.07Å; V139-L143 WeakPolarHBondContact O-CG 3.39Å; V139-L143 PolarHBondContact O-N 3.49Å; V139-L501 HydrophobicContact CG1-CD2 4Å; V139-L501 HydrophobicContact CG2-CD2 4.48Å |
| 140 | L | 67.2 | Low | 62.5 | Low | 47 Ų | 47 | 79.3 Ų | 79.3 | 25% | 0.246 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -67.3 | -42.1 | 175.8 | -77.8 | 166.4 | 0 | 0 | 0 | 111.8 | K136 T137 M138 V142 L143 N144 | K136-L140 WeakPolarHBondContact O-CB 3.4Å; K136-L140 WeakPolarHBondContact O-CD1 3.36Å; K136-L140 WeakPolarHBondContact O-CG 3.36Å; K136-L140 PolarHBondContact O-N 3.36Å; T137-L140 CarbonylContact O-C 3.54Å; T137-L140 WeakPolarHBondContact O-CB 3.24Å; T137-L140 PolarHBondContact O-N 3.47Å; T137-L140 VanDerWaalsContact O-N 3.1Å; M138-L140 VanDerWaalsContact C-N 3.34Å; L140-V142 VanDerWaalsContact C-N 3.34Å; L140-L143 PolarHBondContact O-N 3.27Å; L140-N144 VanDerWaalsContact O-CB 3.25Å; L140-N144 WeakPolarHBondContact O-CB 3.38Å; L140-N144 PolarHBondContact O-N 2.83Å; L140-N144 PolarHBondContact O-ND2 3.4Å; L140-N144 VanDerWaalsContact O-ND2 3.16Å |
| 141 | D | 68.7 | Low | 61.2 | Low | 94 Ų | 94 | 79.8 Ų | 79.8 | 50% | 0.503 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.2 | -44.1 | 178.6 | -66.4 | -21.8 | 0 | 0 | 0 | 109.6 | T137 M138 N144 L145 | T137-D141 WeakPolarHBondContact O-CB 3.08Å; T137-D141 PolarHBondContact O-N 3.44Å; M138-D141 PolarHBondContact O-N 3.14Å; D141-N144 PolarHBondContact O-N 2.83Å; D141-L145 VanDerWaalsContact O-CB 3.28Å; D141-L145 WeakPolarHBondContact O-CB 3.4Å; D141-L145 WeakPolarHBondContact O-CD1 3.31Å; D141-L145 WeakPolarHBondContact O-CG 3.48Å; D141-L145 PolarHBondContact O-N 3.28Å |
| 142 | V | 67.7 | Low | 59.8 | Low | 13 Ų | 13 | 83.9 Ų | 83.9 | 8% | 0.079 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -65.3 | -40.3 | 174.2 | 173.5 | 0 | 0 | 0 | 0 | 112.2 | M138 L140 A146 E493 V496 | M138-V142 VanDerWaalsContact O-CG2 3.29Å; M138-V142 WeakPolarHBondContact O-CG2 3.29Å; M138-V142 PolarHBondContact O-N 3.39Å; M138-V142 VanDerWaalsContact O-N 3.09Å; L140-V142 VanDerWaalsContact C-N 3.34Å; V142-A146 WeakPolarHBondContact O-CB 3.41Å; V142-A146 PolarHBondContact O-N 3.05Å; V142-A146 VanDerWaalsContact O-N 3.1Å; V142-E493 HydrophobicContact CG1-CB 4.32Å; V142-E493 HydrophobicContact CG1-CG 3.68Å; V142-E493 HydrophobicContact CG2-CG 4.37Å; V142-V496 HydrophobicContact CG1-CB 4.26Å; V142-V496 HydrophobicContact CG1-CG1 4.49Å; V142-V496 HydrophobicContact CG1-CG2 4.07Å |
| 143 | L | 64.9 | Low | 58.4 | Low | 19 Ų | 19 | 90.3 Ų | 90.3 | 10% | 0.099 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -64.5 | -45.6 | 175.2 | -79 | 165.3 | 0 | 0 | 0 | 111.6 | V139 L140 A146 D147 V496 R503 | V139-L143 HydrophobicContact CG1-CD1 3.69Å; V139-L143 HydrophobicContact CG1-CG 4.25Å; V139-L143 VanDerWaalsContact O-CB 3.24Å; V139-L143 WeakPolarHBondContact O-CB 3.47Å; V139-L143 WeakPolarHBondContact O-CD1 3.07Å; V139-L143 WeakPolarHBondContact O-CG 3.39Å; V139-L143 PolarHBondContact O-N 3.49Å; L140-L143 PolarHBondContact O-N 3.27Å; L143-A146 PolarHBondContact O-N 3.31Å; L143-D147 WeakPolarHBondContact O-CB 3.3Å; L143-D147 PolarHBondContact O-N 3.24Å; L143-V496 HydrophobicContact CD2-CB 4.41Å; L143-V496 HydrophobicContact CD2-CG1 3.58Å; L143-V496 HydrophobicContact CD2-CG2 3.97Å; L143-V496 HydrophobicContact CG-CG1 4.24Å; L143-V496 HydrophobicContact CG-CG2 4.28Å; L143-R503 HydrophobicContact CD1-CB 4.31Å |
| 144 | N | 67.3 | Low | 57 | Low | 100 Ų | 100 | 89.9 Ų | 89.9 | 54% | 0.535 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.2 | -35.8 | 179.9 | -68.1 | -23.5 | 0 | 0 | 0 | 111.8 | L140 D141 A146 G148 | L140-N144 VanDerWaalsContact O-CB 3.25Å; L140-N144 WeakPolarHBondContact O-CB 3.38Å; L140-N144 PolarHBondContact O-N 2.83Å; L140-N144 PolarHBondContact O-ND2 3.4Å; L140-N144 VanDerWaalsContact O-ND2 3.16Å; D141-N144 PolarHBondContact O-N 2.83Å; N144-A146 VanDerWaalsContact C-N 3.32Å; N144-G148 PolarHBondContact O-N 3.26Å; N144-G148 VanDerWaalsContact O-N 3.13Å |
| 145 | L | 61.1 | Low | 55.4 | Low | 140 Ų | 140 | 89.7 Ų | 89.7 | 73% | 0.733 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.7 | -35.5 | 172.6 | -78.5 | 161.9 | 0 | 0 | 0 | 112 | D141 | D141-L145 VanDerWaalsContact O-CB 3.28Å; D141-L145 WeakPolarHBondContact O-CB 3.4Å; D141-L145 WeakPolarHBondContact O-CD1 3.31Å; D141-L145 WeakPolarHBondContact O-CG 3.48Å; D141-L145 PolarHBondContact O-N 3.28Å |
| 146 | A | 55.7 | Low | 53.8 | Low | 38 Ų | 38 | 94 Ų | 94 | 31% | 0.314 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -80.6 | -35.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | V142 L143 N144 G148 V496 | V142-A146 WeakPolarHBondContact O-CB 3.41Å; V142-A146 PolarHBondContact O-N 3.05Å; V142-A146 VanDerWaalsContact O-N 3.1Å; L143-A146 PolarHBondContact O-N 3.31Å; N144-A146 VanDerWaalsContact C-N 3.32Å; A146-G148 PolarHBondContact O-N 2.96Å; A146-V496 HydrophobicContact CB-CG1 3.61Å |
| 147 | D | 50.5 | Low | 52.4 | Low | 100 Ų | 100 | 97.7 Ų | 97.7 | 54% | 0.535 | 56% | 0.556 | S | S | . | * | S | Bend | trans | -79.3 | 2.5 | 175.4 | -79.9 | -21.3 | 0 | 0 | 0 | 112.8 | L143 S149 K150 | L143-D147 WeakPolarHBondContact O-CB 3.3Å; L143-D147 PolarHBondContact O-N 3.24Å; D147-S149 PolarHBondContact O-N 3.45Å; D147-K150 PolarHBondContact O-N 3.12Å |
| 148 | G | 46.8 | Very low | 51.3 | Low | 71 Ų | 71 | 103.9 Ų | 103.9 | 73% | 0.732 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | 12.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | N144 A146 | N144-G148 PolarHBondContact O-N 3.26Å; N144-G148 VanDerWaalsContact O-N 3.13Å; A146-G148 PolarHBondContact O-N 2.96Å |
| 149 | S | 48 | Very low | 50.6 | Low | 106 Ų | 106 | 107.5 Ų | 107.5 | 74% | 0.741 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.1 | -10.7 | 167.2 | 62.6 | 0 | 0 | 0 | 0 | 115.4 | D147 | D147-S149 PolarHBondContact O-N 3.45Š|
| 150 | K | 46.3 | Very low | 50.2 | Low | 167 Ų | 167 | 111.4 Ų | 111.4 | 73% | 0.726 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -152.6 | 125.2 | 172.5 | -66.2 | -172.4 | -180 | 171.1 | 0 | 111.1 | D147 | D147-K150 PolarHBondContact O-N 3.12Š|
| 151 | D | 37.2 | Very low | 50.7 | Low | 153 Ų | 153 | 112.8 Ų | 112.8 | 82% | 0.818 | 63% | 0.631 | S | S | * | * | trans | 95.1 | 56.4 | 171.1 | -51.1 | -19.2 | 0 | 0 | 0 | 116.8 | D153 | D151-D153 PolarHBondContact O-N 2.89Å; D151-D153 VanDerWaalsContact O-N 3.14Å | ||
| 152 | L | 35.7 | Very low | 50.7 | Low | 176 Ų | 176 | 116.1 Ų | 116.1 | 92% | 0.921 | 64% | 0.643 | S | S | * | * | trans | -76.1 | 71.7 | 146.7 | -82.7 | 165.4 | 0 | 0 | 0 | 109.6 | T154 | L152-T154 PolarHBondContact O-N 3.35Š| ||
| 153 | D | 33.4 | Very low | 50.7 | Low | 148 Ų | 148 | 118.6 Ų | 118.6 | 79% | 0.791 | 67% | 0.665 | S | S | * | * | trans | -88.9 | 84.2 | 166.8 | -120.2 | -0.2 | 0 | 0 | 0 | 109.5 | D151 S155 | D151-D153 PolarHBondContact O-N 2.89Å; D151-D153 VanDerWaalsContact O-N 3.14Å; D153-S155 PolarHBondContact O-N 3.44Å | ||
| 154 | T | 37.1 | Very low | 51 | Low | 110 Ų | 110 | 122.2 Ų | 122.2 | 68% | 0.675 | 68% | 0.681 | S | S | * | * | trans | 18.6 | 86.2 | 148.7 | 44.3 | 0 | 0 | 0 | 0 | 118.1 | L152 M156 | L152-T154 PolarHBondContact O-N 3.35Å; T154-M156 HydrophobicContact CG2-CG 4.26Å; T154-M156 PolarHBondContact O-N 2.8Å | ||
| 155 | S | 34.9 | Very low | 51.2 | Low | 123 Ų | 123 | 119 Ų | 119 | 86% | 0.86 | 67% | 0.668 | S | S | * | * | trans | -91.5 | 60 | 141.6 | 72.1 | 0 | 0 | 0 | 0 | 109.3 | D153 D157 | D153-S155 PolarHBondContact O-N 3.44Å; S155-D157 PolarHBondContact O-N 2.86Å | ||
| 156 | M | 34.1 | Very low | 51.8 | Low | 150 Ų | 150 | 116.5 Ų | 116.5 | 74% | 0.739 | 66% | 0.655 | S | S | * | * | trans | -72.3 | 122.5 | 156.4 | -70.6 | -82.3 | -102.8 | 0 | 0 | 105 | T154 K158 | T154-M156 HydrophobicContact CG2-CG 4.26Å; T154-M156 PolarHBondContact O-N 2.8Å; M156-K158 PolarHBondContact O-N 2.77Å | ||
| 157 | D | 39.2 | Very low | 52.4 | Low | 154 Ų | 154 | 121.1 Ų | 121.1 | 82% | 0.824 | 67% | 0.668 | S | S | * | * | trans | -41.8 | 112.8 | 160.2 | -78.5 | -42.3 | 0 | 0 | 0 | 107.1 | S155 V159 | S155-D157 PolarHBondContact O-N 2.86Å; D157-V159 PolarHBondContact O-N 3.05Å | ||
| 158 | K | 44.7 | Very low | 53.3 | Low | 200 Ų | 200 | 120 Ų | 120 | 87% | 0.87 | 66% | 0.661 | S | S | * | * | trans | -65.8 | 91.6 | 179 | -82.3 | -176.5 | 177.3 | -180 | 0 | 106.9 | M156 M160 | M156-K158 PolarHBondContact O-N 2.77Å; K158-M160 PolarHBondContact O-N 3.35Å | ||
| 159 | V | 55.7 | Low | 54.6 | Low | 127 Ų | 127 | 122.2 Ų | 122.2 | 77% | 0.77 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 116.4 | 161.5 | 178.5 | 0 | 0 | 0 | 0 | 105.4 | D157 T161 | D157-V159 PolarHBondContact O-N 3.05Å; V159-T161 PolarHBondContact O-N 3Å; V159-T161 VanDerWaalsContact O-N 3.1Å |
| 160 | M | 58 | Low | 55.7 | Low | 104 Ų | 104 | 121.6 Ų | 121.6 | 51% | 0.512 | 64% | 0.64 | S | S | . | * | P | Polyproline II helix | trans | -49.4 | 120.7 | -179.9 | 178 | 179.6 | -72.3 | 0 | 0 | 108.2 | K158 E164 A165 I168 | K158-M160 PolarHBondContact O-N 3.35Å; M160-E164 HydrophobicContact CG-CB 3.82Å; M160-A165 HydrophobicContact CG-CB 4.13Å; M160-A165 HydrophobicContact SD-CB 3.71Å; M160-I168 HydrophobicContact CE-CD1 3.42Å; M160-I168 VanDerWaalsContact CE-CD1 3.42Å; M160-I168 HydrophobicContact SD-CD1 3.82Å |
| 161 | T | 77.1 | Confident | 56.7 | Low | 76 Ų | 76 | 117.1 Ų | 117.1 | 47% | 0.466 | 62% | 0.623 | S | S | . | * | P | Polyproline II helix | trans | -65.2 | 147.6 | 179.1 | 53.3 | 0 | 0 | 0 | 0 | 109.4 | V159 A163 E164 A165 | V159-T161 PolarHBondContact O-N 3Å; V159-T161 VanDerWaalsContact O-N 3.1Å; T161-A163 PolarHBondContact O-N 2.91Å; T161-A163 VanDerWaalsContact O-N 3.08Å; T161-E164 PolarHBondContact N-OE2 3.16Å; T161-E164 WeakPolarHBondContact O-CA 3.34Å; T161-E164 WeakPolarHBondContact O-CB 3.2Å; T161-E164 PolarHBondContact O-N 3.24Å; T161-E164 VanDerWaalsContact OG1-CG 3.24Å; T161-E164 WeakPolarHBondContact OG1-CG 3.28Å; T161-E164 PolarHBondContact OG1-OE2 3.1Å; T161-A165 PolarHBondContact O-N 3.36Å |
| 162 | E | 70.1 | Confident | 58.1 | Low | 164 Ų | 164 | 114.6 Ų | 114.6 | 77% | 0.766 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -53.9 | -34.1 | 178.5 | -69.9 | -176.9 | 161.1 | 0 | 0 | 111.7 | E164 A165 I166 | E162-E164 PolarHBondContact O-N 3.3Å; E162-A165 PolarHBondContact O-N 2.85Å; E162-I166 VanDerWaalsContact O-CB 3.32Å; E162-I166 WeakPolarHBondContact O-CB 3.43Å; E162-I166 WeakPolarHBondContact O-CD1 3.35Å; E162-I166 WeakPolarHBondContact O-CG1 3.42Å; E162-I166 PolarHBondContact O-N 3.43Å |
| 163 | A | 67.4 | Low | 60.1 | Low | 64 Ų | 64 | 110.1 Ų | 110.1 | 53% | 0.529 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.9 | -36.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | T161 K167 | T161-A163 PolarHBondContact O-N 2.91Å; T161-A163 VanDerWaalsContact O-N 3.08Å; A163-K167 WeakPolarHBondContact O-CB 3.3Å; A163-K167 WeakPolarHBondContact O-CG 3.33Å; A163-K167 PolarHBondContact O-N 2.89Å |
| 164 | E | 71.1 | Confident | 61.9 | Low | 95 Ų | 95 | 108 Ų | 108 | 44% | 0.444 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -72.9 | -41.5 | 174.7 | -75.1 | 167.8 | 154.4 | 0 | 0 | 111.2 | M160 T161 E162 K167 I168 | M160-E164 HydrophobicContact CG-CB 3.82Å; T161-E164 PolarHBondContact N-OE2 3.16Å; T161-E164 WeakPolarHBondContact O-CA 3.34Å; T161-E164 WeakPolarHBondContact O-CB 3.2Å; T161-E164 PolarHBondContact O-N 3.24Å; T161-E164 VanDerWaalsContact OG1-CG 3.24Å; T161-E164 WeakPolarHBondContact OG1-CG 3.28Å; T161-E164 PolarHBondContact OG1-OE2 3.1Å; E162-E164 PolarHBondContact O-N 3.3Å; E164-K167 WeakPolarHBondContact O-CB 3.4Å; E164-K167 PolarHBondContact O-N 3.01Å; E164-I168 WeakPolarHBondContact O-CG1 3.13Å; E164-I168 PolarHBondContact O-N 3.13Å |
| 165 | A | 72.3 | Confident | 63.1 | Low | 32 Ų | 32 | 103.1 Ų | 103.1 | 26% | 0.264 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.7 | -45.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | M160 T161 E162 K167 I168 I169 | M160-A165 HydrophobicContact CG-CB 4.13Å; M160-A165 HydrophobicContact SD-CB 3.71Å; T161-A165 PolarHBondContact O-N 3.36Å; E162-A165 PolarHBondContact O-N 2.85Å; A165-K167 VanDerWaalsContact C-N 3.33Å; A165-K167 PolarHBondContact O-N 2.74Å; A165-I168 PolarHBondContact O-N 3.38Å; A165-I169 WeakPolarHBondContact O-CG1 3.22Å; A165-I169 PolarHBondContact O-N 2.81Å |
| 166 | I | 72.1 | Confident | 64.9 | Low | 89 Ų | 89 | 104.5 Ų | 104.5 | 46% | 0.456 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 175.8 | -69.7 | 164.1 | 0 | 0 | 0 | 110.7 | E162 I168 I169 Q170 | E162-I166 VanDerWaalsContact O-CB 3.32Å; E162-I166 WeakPolarHBondContact O-CB 3.43Å; E162-I166 WeakPolarHBondContact O-CD1 3.35Å; E162-I166 WeakPolarHBondContact O-CG1 3.42Å; E162-I166 PolarHBondContact O-N 3.43Å; I166-I168 VanDerWaalsContact C-N 3.34Å; I166-I168 PolarHBondContact O-N 3.36Å; I166-I169 PolarHBondContact O-N 3.31Å; I166-Q170 HydrophobicContact CG2-CG 4.21Å; I166-Q170 WeakPolarHBondContact O-CB 3.47Å; I166-Q170 VanDerWaalsContact O-CG 3.24Å; I166-Q170 WeakPolarHBondContact O-CG 3.43Å; I166-Q170 PolarHBondContact O-N 3.24Å |
| 167 | K | 69.8 | Low | 66.8 | Low | 134 Ų | 134 | 100.8 Ų | 100.8 | 58% | 0.583 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.6 | -42.9 | 175.3 | -88.5 | 178.2 | 179.6 | 174.6 | 0 | 112 | A163 E164 A165 Q170 M171 | A163-K167 WeakPolarHBondContact O-CB 3.3Å; A163-K167 WeakPolarHBondContact O-CG 3.33Å; A163-K167 PolarHBondContact O-N 2.89Å; E164-K167 WeakPolarHBondContact O-CB 3.4Å; E164-K167 PolarHBondContact O-N 3.01Å; A165-K167 VanDerWaalsContact C-N 3.33Å; A165-K167 PolarHBondContact O-N 2.74Å; K167-Q170 PolarHBondContact O-N 3.19Å; K167-M171 WeakPolarHBondContact O-CB 3.38Å; K167-M171 WeakPolarHBondContact O-CG 3.38Å; K167-M171 PolarHBondContact O-N 3.07Å |
| 168 | I | 68.7 | Low | 68.4 | Low | 78 Ų | 78 | 94.2 Ų | 94.2 | 40% | 0.4 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.6 | -46.6 | 178.8 | -68.1 | 165.7 | 0 | 0 | 0 | 110.5 | M160 E164 A165 I166 Q170 M171 V172 | M160-I168 HydrophobicContact CE-CD1 3.42Å; M160-I168 VanDerWaalsContact CE-CD1 3.42Å; M160-I168 HydrophobicContact SD-CD1 3.82Å; E164-I168 WeakPolarHBondContact O-CG1 3.13Å; E164-I168 PolarHBondContact O-N 3.13Å; A165-I168 PolarHBondContact O-N 3.38Å; I166-I168 VanDerWaalsContact C-N 3.34Å; I166-I168 PolarHBondContact O-N 3.36Å; I168-Q170 PolarHBondContact O-N 3.41Å; I168-M171 HydrophobicContact CG1-CE 4.12Å; I168-M171 WeakPolarHBondContact O-CB 3.35Å; I168-M171 PolarHBondContact O-N 3.18Å; I168-V172 WeakPolarHBondContact O-CG2 3.04Å; I168-V172 PolarHBondContact O-N 3.06Å |
| 169 | I | 74.4 | Confident | 69.7 | Low | 117 Ų | 117 | 92.5 Ų | 92.5 | 60% | 0.6 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -61.2 | -45.7 | 177.5 | -66.9 | 167.9 | 0 | 0 | 0 | 110.8 | A165 I166 M171 V172 E173 | A165-I169 WeakPolarHBondContact O-CG1 3.22Å; A165-I169 PolarHBondContact O-N 2.81Å; I166-I169 PolarHBondContact O-N 3.31Å; I169-M171 VanDerWaalsContact C-N 3.31Å; I169-M171 PolarHBondContact O-N 3.33Å; I169-V172 PolarHBondContact O-N 3.4Å; I169-E173 WeakPolarHBondContact O-CB 3.38Å; I169-E173 PolarHBondContact O-N 3.06Å |
| 170 | Q | 71.3 | Confident | 70.4 | Confident | 92 Ų | 92 | 90 Ų | 90 | 43% | 0.43 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.6 | -34.1 | 177.3 | -73 | -179.5 | 1.3 | 0 | 0 | 112.8 | I166 K167 I168 R174 | I166-Q170 HydrophobicContact CG2-CG 4.21Å; I166-Q170 WeakPolarHBondContact O-CB 3.47Å; I166-Q170 VanDerWaalsContact O-CG 3.24Å; I166-Q170 WeakPolarHBondContact O-CG 3.43Å; I166-Q170 PolarHBondContact O-N 3.24Å; K167-Q170 PolarHBondContact O-N 3.19Å; I168-Q170 PolarHBondContact O-N 3.41Å; Q170-R174 WeakPolarHBondContact O-CB 3.18Å; Q170-R174 VanDerWaalsContact O-CG 3.25Å; Q170-R174 WeakPolarHBondContact O-CG 2.83Å; Q170-R174 PolarHBondContact O-N 3.02Å |
| 171 | M | 66.1 | Low | 71.1 | Confident | 74 Ų | 74 | 92.6 Ų | 92.6 | 37% | 0.365 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.1 | -46.9 | 173.8 | -82.1 | -173.3 | -68.3 | 0 | 0 | 111.1 | K167 I168 I169 E173 R174 A175 | K167-M171 WeakPolarHBondContact O-CB 3.38Å; K167-M171 WeakPolarHBondContact O-CG 3.38Å; K167-M171 PolarHBondContact O-N 3.07Å; I168-M171 HydrophobicContact CG1-CE 4.12Å; I168-M171 WeakPolarHBondContact O-CB 3.35Å; I168-M171 PolarHBondContact O-N 3.18Å; I169-M171 VanDerWaalsContact C-N 3.31Å; I169-M171 PolarHBondContact O-N 3.33Å; M171-E173 VanDerWaalsContact C-N 3.34Å; M171-E173 PolarHBondContact O-N 2.96Å; M171-R174 PolarHBondContact O-N 2.94Å; M171-A175 WeakPolarHBondContact O-CB 3.03Å; M171-A175 PolarHBondContact O-N 3.14Å |
| 172 | V | 67.6 | Low | 70.8 | Confident | 99 Ų | 99 | 91.9 Ų | 91.9 | 60% | 0.6 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -62.5 | -41.9 | 178.5 | 173.7 | 0 | 0 | 0 | 0 | 111.3 | I168 I169 A175 W176 | I168-V172 WeakPolarHBondContact O-CG2 3.04Å; I168-V172 PolarHBondContact O-N 3.06Å; I169-V172 PolarHBondContact O-N 3.4Å; V172-A175 WeakPolarHBondContact O-CB 3.37Å; V172-A175 PolarHBondContact O-N 3.44Å; V172-W176 PolarHBondContact O-N 3.48Å |
| 173 | E | 77 | Confident | 71 | Confident | 83 Ų | 83 | 91.2 Ų | 91.2 | 39% | 0.388 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67.7 | -43.1 | 178.7 | -176.4 | 54.9 | -150.2 | 0 | 0 | 112.2 | I169 M171 A175 W176 Q177 | I169-E173 WeakPolarHBondContact O-CB 3.38Å; I169-E173 PolarHBondContact O-N 3.06Å; M171-E173 VanDerWaalsContact C-N 3.34Å; M171-E173 PolarHBondContact O-N 2.96Å; E173-A175 VanDerWaalsContact C-N 3.28Å; E173-A175 PolarHBondContact O-N 3.47Å; E173-W176 PolarHBondContact O-N 3.03Å; E173-Q177 WeakPolarHBondContact O-CG 3.33Å; E173-Q177 PolarHBondContact O-N 3.33Å; E173-Q177 PolarHBondContact OE1-NE2 3.4Å; E173-Q177 VanDerWaalsContact OE1-NE2 3.16Å |
| 174 | R | 71.9 | Confident | 71.2 | Confident | 102 Ų | 102 | 93.2 Ų | 93.2 | 39% | 0.385 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -60.7 | -39.4 | 173.2 | -75.9 | -176.7 | -121.4 | 139.9 | -2.9 | 111.6 | Q170 M171 G178 L238 | Q170-R174 WeakPolarHBondContact O-CB 3.18Å; Q170-R174 VanDerWaalsContact O-CG 3.25Å; Q170-R174 WeakPolarHBondContact O-CG 2.83Å; Q170-R174 PolarHBondContact O-N 3.02Å; M171-R174 PolarHBondContact O-N 2.94Å; R174-G178 PolarHBondContact O-N 3.32Å; R174-L238 HydrophobicContact CB-CD2 3.89Å |
| 175 | A | 62.6 | Low | 71.2 | Confident | 9 Ų | 9 | 93 Ų | 93 | 7% | 0.074 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -64.9 | -40.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | M171 V172 E173 G178 R179 M240 | M171-A175 WeakPolarHBondContact O-CB 3.03Å; M171-A175 PolarHBondContact O-N 3.14Å; V172-A175 WeakPolarHBondContact O-CB 3.37Å; V172-A175 PolarHBondContact O-N 3.44Å; E173-A175 VanDerWaalsContact C-N 3.28Å; E173-A175 PolarHBondContact O-N 3.47Å; A175-G178 PolarHBondContact O-N 3.49Å; A175-R179 WeakPolarHBondContact O-CG 3.14Å; A175-R179 PolarHBondContact O-N 3.16Å; A175-R179 VanDerWaalsContact O-N 3.07Å; A175-M240 HydrophobicContact CB-CE 4.05Å; A175-M240 HydrophobicContact CB-CG 3.82Å; A175-M240 HydrophobicContact CB-SD 3.95Å |
| 176 | W | 72.5 | Confident | 71.1 | Confident | 151 Ų | 151 | 97.7 Ų | 97.7 | 57% | 0.572 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -62.5 | -47.6 | 175.9 | -174.9 | 80.8 | 0 | 0 | 0 | 111.9 | V172 E173 G178 R179 I180 | V172-W176 PolarHBondContact O-N 3.48Å; E173-W176 PolarHBondContact O-N 3.03Å; W176-G178 VanDerWaalsContact C-N 3.32Å; W176-G178 PolarHBondContact O-N 3.39Å; W176-R179 PolarHBondContact O-N 3.1Å; W176-I180 HydrophobicContact CD2-CD1 3.83Å; W176-I180 HydrophobicContact CE3-CD1 3.81Å; W176-I180 HydrophobicContact CH2-CD1 3.44Å; W176-I180 VanDerWaalsContact CH2-CD1 3.44Å; W176-I180 HydrophobicContact CZ2-CD1 3.46Å; W176-I180 VanDerWaalsContact CZ2-CD1 3.46Å; W176-I180 HydrophobicContact CZ3-CD1 3.62Å; W176-I180 PolarHBondContact O-N 2.86Å |
| 177 | Q | 74.4 | Confident | 71.1 | Confident | 72 Ų | 72 | 97.9 Ų | 97.9 | 34% | 0.336 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.2 | -37.7 | 175.3 | -68 | -176.9 | 6.6 | 0 | 0 | 112.6 | E173 R179 I180 R181 | E173-Q177 WeakPolarHBondContact O-CG 3.33Å; E173-Q177 PolarHBondContact O-N 3.33Å; E173-Q177 PolarHBondContact OE1-NE2 3.4Å; E173-Q177 VanDerWaalsContact OE1-NE2 3.16Å; Q177-R179 PolarHBondContact O-N 2.8Å; Q177-I180 PolarHBondContact O-N 3.27Å; Q177-R181 WeakPolarHBondContact O-CG 3.32Å; Q177-R181 PolarHBondContact O-N 3.46Å |
| 178 | G | 72.6 | Confident | 71.1 | Confident | 16 Ų | 16 | 94.7 Ų | 94.7 | 17% | 0.165 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -59.2 | -44 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | R174 A175 W176 I180 R181 A182 | R174-G178 PolarHBondContact O-N 3.32Å; A175-G178 PolarHBondContact O-N 3.49Å; W176-G178 VanDerWaalsContact C-N 3.32Å; W176-G178 PolarHBondContact O-N 3.39Å; G178-I180 PolarHBondContact O-N 3.05Å; G178-R181 PolarHBondContact O-N 3.3Å; G178-A182 WeakPolarHBondContact O-CB 3.45Å; G178-A182 PolarHBondContact O-N 3.24Å |
| 179 | R | 70.3 | Confident | 70.8 | Confident | 164 Ų | 164 | 99.1 Ų | 99.1 | 62% | 0.619 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -62.7 | -40.8 | 176.8 | -68.7 | 176.1 | -169 | -170.4 | 4.9 | 112.1 | A175 W176 Q177 A182 K183 M240 | A175-R179 WeakPolarHBondContact O-CG 3.14Å; A175-R179 PolarHBondContact O-N 3.16Å; A175-R179 VanDerWaalsContact O-N 3.07Å; W176-R179 PolarHBondContact O-N 3.1Å; Q177-R179 PolarHBondContact O-N 2.8Å; R179-A182 PolarHBondContact O-N 3.26Å; R179-K183 PolarHBondContact O-N 3Å; R179-K183 VanDerWaalsContact O-N 3.09Å; R179-M240 HydrophobicContact CG-SD 4.23Å |
| 180 | I | 72 | Confident | 70.1 | Confident | 76 Ų | 76 | 99.5 Ų | 99.5 | 39% | 0.39 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.1 | -48.6 | 177.7 | -68.2 | 175.6 | 0 | 0 | 0 | 111 | W176 Q177 G178 A182 K183 L184 | W176-I180 HydrophobicContact CD2-CD1 3.83Å; W176-I180 HydrophobicContact CE3-CD1 3.81Å; W176-I180 HydrophobicContact CH2-CD1 3.44Å; W176-I180 VanDerWaalsContact CH2-CD1 3.44Å; W176-I180 HydrophobicContact CZ2-CD1 3.46Å; W176-I180 VanDerWaalsContact CZ2-CD1 3.46Å; W176-I180 HydrophobicContact CZ3-CD1 3.62Å; W176-I180 PolarHBondContact O-N 2.86Å; Q177-I180 PolarHBondContact O-N 3.27Å; G178-I180 PolarHBondContact O-N 3.05Å; I180-A182 VanDerWaalsContact C-N 3.31Å; I180-A182 PolarHBondContact O-N 2.87Å; I180-K183 WeakPolarHBondContact O-CB 3.22Å; I180-K183 PolarHBondContact O-N 2.9Å; I180-L184 PolarHBondContact O-N 2.69Å |
| 181 | R | 72.8 | Confident | 69.5 | Low | 157 Ų | 157 | 98.7 Ų | 98.7 | 59% | 0.592 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -61.5 | -38.9 | 177.5 | -70.7 | -177.3 | -167.7 | 135.3 | 7.8 | 112.3 | Q177 G178 K183 L184 N185 | Q177-R181 WeakPolarHBondContact O-CG 3.32Å; Q177-R181 PolarHBondContact O-N 3.46Å; G178-R181 PolarHBondContact O-N 3.3Å; R181-K183 VanDerWaalsContact C-N 3.35Å; R181-L184 PolarHBondContact O-N 2.9Å; R181-N185 WeakPolarHBondContact O-CB 3.38Å; R181-N185 PolarHBondContact O-N 3.36Å |
| 182 | A | 69.9 | Low | 69.3 | Low | 62 Ų | 62 | 98.4 Ų | 98.4 | 51% | 0.512 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.7 | -39.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | G178 R179 I180 K186 | G178-A182 WeakPolarHBondContact O-CB 3.45Å; G178-A182 PolarHBondContact O-N 3.24Å; R179-A182 PolarHBondContact O-N 3.26Å; I180-A182 VanDerWaalsContact C-N 3.31Å; I180-A182 PolarHBondContact O-N 2.87Å; A182-K186 WeakPolarHBondContact O-CB 3.5Å; A182-K186 PolarHBondContact O-N 2.61Å |
| 183 | K | 73.2 | Confident | 68.7 | Low | 150 Ų | 150 | 99.3 Ų | 99.3 | 65% | 0.652 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -63.1 | -48.8 | 174.6 | -167.3 | 177.7 | -180 | -177.8 | 0 | 110.9 | R179 I180 R181 N185 K186 D187 | R179-K183 PolarHBondContact O-N 3Å; R179-K183 VanDerWaalsContact O-N 3.09Å; I180-K183 WeakPolarHBondContact O-CB 3.22Å; I180-K183 PolarHBondContact O-N 2.9Å; R181-K183 VanDerWaalsContact C-N 3.35Å; K183-N185 PolarHBondContact O-N 2.6Å; K183-K186 WeakPolarHBondContact O-CB 3.19Å; K183-K186 PolarHBondContact O-N 3.28Å; K183-K186 VanDerWaalsContact O-N 3.09Å; K183-D187 PolarHBondContact O-N 2.99Å; K183-D187 VanDerWaalsContact O-N 3.09Å |
| 184 | L | 73.2 | Confident | 67.7 | Low | 106 Ų | 106 | 99.2 Ų | 99.2 | 56% | 0.555 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -63.1 | -42 | -179.5 | -150.2 | 150.5 | 0 | 0 | 0 | 112.3 | I180 R181 K186 D187 V188 | I180-L184 PolarHBondContact O-N 2.69Å; R181-L184 PolarHBondContact O-N 2.9Å; L184-K186 VanDerWaalsContact C-N 3.32Å; L184-K186 PolarHBondContact O-N 3.12Å; L184-D187 PolarHBondContact O-N 3.09Å; L184-V188 HydrophobicContact CD2-CG2 4.27Å; L184-V188 WeakPolarHBondContact O-CG2 3.42Å; L184-V188 PolarHBondContact O-N 2.79Å |
| 185 | N | 71.5 | Confident | 67.1 | Low | 90 Ų | 90 | 103.1 Ų | 103.1 | 48% | 0.481 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.9 | -31.9 | 174.5 | -82.8 | -25.7 | 0 | 0 | 0 | 113.2 | R181 K183 R189 | R181-N185 WeakPolarHBondContact O-CB 3.38Å; R181-N185 PolarHBondContact O-N 3.36Å; K183-N185 PolarHBondContact O-N 2.6Å; N185-R189 WeakPolarHBondContact O-CG 3.25Å; N185-R189 PolarHBondContact O-N 2.8Å; N185-R189 VanDerWaalsContact O-N 3.1Å |
| 186 | K | 69.1 | Low | 66.9 | Low | 131 Ų | 131 | 111.8 Ų | 111.8 | 57% | 0.57 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.6 | -44.1 | 174.4 | -171.9 | -177.8 | 176.8 | -173.3 | 0 | 110.1 | A182 K183 L184 R189 F190 | A182-K186 WeakPolarHBondContact O-CB 3.5Å; A182-K186 PolarHBondContact O-N 2.61Å; K183-K186 WeakPolarHBondContact O-CB 3.19Å; K183-K186 PolarHBondContact O-N 3.28Å; K183-K186 VanDerWaalsContact O-N 3.09Å; L184-K186 VanDerWaalsContact C-N 3.32Å; L184-K186 PolarHBondContact O-N 3.12Å; K186-R189 PolarHBondContact O-N 2.94Å; K186-F190 HydrophobicContact CG-CD2 4.15Å; K186-F190 HydrophobicContact CG-CE2 4.21Å; K186-F190 WeakPolarHBondContact O-CD2 3.47Å; K186-F190 PolarHBondContact O-N 3.35Å |
| 187 | D | 71.3 | Confident | 66 | Low | 92 Ų | 92 | 110.5 Ų | 110.5 | 49% | 0.492 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.5 | -40.8 | -179.5 | -61 | -20.4 | 0 | 0 | 0 | 111.6 | K183 L184 R189 F190 S191 | K183-D187 PolarHBondContact O-N 2.99Å; K183-D187 VanDerWaalsContact O-N 3.09Å; L184-D187 PolarHBondContact O-N 3.09Å; D187-R189 VanDerWaalsContact C-N 3.33Å; D187-R189 PolarHBondContact O-N 3.38Å; D187-F190 PolarHBondContact O-N 3.36Å; D187-S191 PolarHBondContact O-N 3.07Å |
| 188 | V | 70 | Confident | 65.1 | Low | 68 Ų | 68 | 117.1 Ų | 117.1 | 41% | 0.412 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.1 | -37 | 173.4 | 172.7 | 0 | 0 | 0 | 0 | 112.1 | L184 N192 | L184-V188 HydrophobicContact CD2-CG2 4.27Å; L184-V188 WeakPolarHBondContact O-CG2 3.42Å; L184-V188 PolarHBondContact O-N 2.79Å; V188-N192 WeakPolarHBondContact CG1-ND2 3.11Å; V188-N192 WeakPolarHBondContact O-CB 3.16Å; V188-N192 PolarHBondContact O-N 3.37Å; V188-N192 PolarHBondContact O-ND2 3.16Å |
| 189 | R | 63.4 | Low | 64.3 | Low | 171 Ų | 171 | 120.1 Ų | 120.1 | 65% | 0.645 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -67.5 | -40.9 | 175.5 | -76.8 | 179.3 | -162.4 | 178.9 | 6.4 | 112.1 | N185 K186 D187 N192 F193 | N185-R189 WeakPolarHBondContact O-CG 3.25Å; N185-R189 PolarHBondContact O-N 2.8Å; N185-R189 VanDerWaalsContact O-N 3.1Å; K186-R189 PolarHBondContact O-N 2.94Å; D187-R189 VanDerWaalsContact C-N 3.33Å; D187-R189 PolarHBondContact O-N 3.38Å; R189-N192 PolarHBondContact O-N 2.7Å; R189-F193 VanDerWaalsContact O-CB 3.3Å; R189-F193 WeakPolarHBondContact O-CB 3.45Å; R189-F193 PolarHBondContact O-N 3.24Å |
| 190 | F | 58.8 | Low | 63.5 | Low | 125 Ų | 125 | 120.4 Ų | 120.4 | 55% | 0.548 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.5 | -47.5 | 175.8 | -95.5 | -82.1 | 0 | 0 | 0 | 111.3 | K186 D187 N192 F193 D194 | K186-F190 HydrophobicContact CG-CD2 4.15Å; K186-F190 HydrophobicContact CG-CE2 4.21Å; K186-F190 WeakPolarHBondContact O-CD2 3.47Å; K186-F190 PolarHBondContact O-N 3.35Å; D187-F190 PolarHBondContact O-N 3.36Å; F190-N192 PolarHBondContact O-N 3.5Å; F190-F193 WeakPolarHBondContact O-CB 3.48Å; F190-F193 PolarHBondContact O-N 3.44Å; F190-F193 VanDerWaalsContact O-N 3.14Å; F190-D194 PolarHBondContact O-N 2.74Å |
| 191 | S | 60 | Low | 62.4 | Low | 75 Ų | 75 | 122.5 Ų | 122.5 | 52% | 0.524 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -60.4 | -42.5 | 176.8 | -179.4 | 0 | 0 | 0 | 0 | 113 | D187 F193 D194 R195 | D187-S191 PolarHBondContact O-N 3.07Å; S191-F193 VanDerWaalsContact C-N 3.35Å; S191-F193 PolarHBondContact O-N 3.49Å; S191-D194 PolarHBondContact O-N 3.26Å; S191-R195 PolarHBondContact O-N 3.36Å; S191-R195 VanDerWaalsContact O-N 3.07Å |
| 192 | N | 60.8 | Low | 61.2 | Low | 67 Ų | 67 | 120 Ų | 120 | 36% | 0.358 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -70.4 | -28.2 | 176.6 | -78.1 | -44 | 0 | 0 | 0 | 113.8 | V188 R189 F190 R196 | V188-N192 WeakPolarHBondContact CG1-ND2 3.11Å; V188-N192 WeakPolarHBondContact O-CB 3.16Å; V188-N192 PolarHBondContact O-N 3.37Å; V188-N192 PolarHBondContact O-ND2 3.16Å; R189-N192 PolarHBondContact O-N 2.7Å; F190-N192 PolarHBondContact O-N 3.5Å; N192-R196 WeakPolarHBondContact O-CB 3.21Å; N192-R196 WeakPolarHBondContact O-CG 3.29Å; N192-R196 PolarHBondContact O-N 3.39Å |
| 193 | F | 55 | Low | 60.3 | Low | 119 Ų | 119 | 120.9 Ų | 120.9 | 52% | 0.522 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -67.5 | -46.9 | 173.9 | -179.6 | -96.9 | 0 | 0 | 0 | 110.6 | R189 F190 S191 R195 R196 H197 | R189-F193 VanDerWaalsContact O-CB 3.3Å; R189-F193 WeakPolarHBondContact O-CB 3.45Å; R189-F193 PolarHBondContact O-N 3.24Å; F190-F193 WeakPolarHBondContact O-CB 3.48Å; F190-F193 PolarHBondContact O-N 3.44Å; F190-F193 VanDerWaalsContact O-N 3.14Å; S191-F193 VanDerWaalsContact C-N 3.35Å; S191-F193 PolarHBondContact O-N 3.49Å; F193-R195 VanDerWaalsContact C-N 3.33Å; F193-R195 PolarHBondContact O-N 2.74Å; F193-R196 PolarHBondContact O-N 3.29Å; F193-H197 AromaticContact CD1-CD2 3.79Å; F193-H197 AromaticContact CD2-CD2 3.97Å; F193-H197 AromaticContact CE1-CD2 3.43Å; F193-H197 VanDerWaalsContact CE1-CD2 3.43Å; F193-H197 WeakPolarHBondContact CE1-CD2 3.44Å; F193-H197 AromaticContact CE1-NE2 3.63Å; F193-H197 AromaticContact CE2-CD2 3.63Å; F193-H197 AromaticContact CE2-NE2 3.35Å; F193-H197 WeakPolarHBondContact CE2-NE2 3.03Å; F193-H197 AromaticContact CZ-CD2 3.36Å; F193-H197 WeakPolarHBondContact CZ-CD2 3.27Å; F193-H197 AromaticContact CZ-NE2 3.06Å; F193-H197 WeakPolarHBondContact CZ-NE2 3.48Å; F193-H197 PolarHBondContact O-CD2 3.31Å; F193-H197 PolarHBondContact O-N 3.11Å |
| 194 | D | 56.9 | Low | 59.1 | Low | 80 Ų | 80 | 117.8 Ų | 117.8 | 43% | 0.428 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -65.7 | -34.2 | 177.9 | -69 | -21.1 | 0 | 0 | 0 | 112.8 | F190 S191 R198 | F190-D194 PolarHBondContact O-N 2.74Å; S191-D194 PolarHBondContact O-N 3.26Å; D194-R198 PolarHBondContact O-N 3.03Å |
| 195 | R | 58.6 | Low | 58.4 | Low | 184 Ų | 184 | 115.3 Ų | 115.3 | 69% | 0.694 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -70.1 | -34.9 | 176.4 | -148.6 | 176.2 | 92.2 | -172.7 | 8.2 | 112.5 | S191 F193 | S191-R195 PolarHBondContact O-N 3.36Å; S191-R195 VanDerWaalsContact O-N 3.07Å; F193-R195 VanDerWaalsContact C-N 3.33Å; F193-R195 PolarHBondContact O-N 2.74Å |
| 196 | R | 58.1 | Low | 57.7 | Low | 191 Ų | 191 | 119.5 Ų | 119.5 | 72% | 0.721 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -81.3 | -27.4 | 178.5 | -76.8 | 177.8 | 174.8 | 178.3 | -0.8 | 113.2 | N192 F193 R198 A199 | N192-R196 WeakPolarHBondContact O-CB 3.21Å; N192-R196 WeakPolarHBondContact O-CG 3.29Å; N192-R196 PolarHBondContact O-N 3.39Å; F193-R196 PolarHBondContact O-N 3.29Å; R196-R198 VanDerWaalsContact C-N 3.33Å; R196-A199 PolarHBondContact O-N 2.8Å |
| 197 | H | 55.1 | Low | 57.1 | Low | 124 Ų | 124 | 119.7 Ų | 119.7 | 57% | 0.574 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -67.3 | -34 | 172.8 | -97.3 | -80.7 | 0 | 0 | 0 | 112.4 | F193 A199 | F193-H197 AromaticContact CD1-CD2 3.79Å; F193-H197 AromaticContact CD2-CD2 3.97Å; F193-H197 AromaticContact CE1-CD2 3.43Å; F193-H197 VanDerWaalsContact CE1-CD2 3.43Å; F193-H197 WeakPolarHBondContact CE1-CD2 3.44Å; F193-H197 AromaticContact CE1-NE2 3.63Å; F193-H197 AromaticContact CE2-CD2 3.63Å; F193-H197 AromaticContact CE2-NE2 3.35Å; F193-H197 WeakPolarHBondContact CE2-NE2 3.03Å; F193-H197 AromaticContact CZ-CD2 3.36Å; F193-H197 WeakPolarHBondContact CZ-CD2 3.27Å; F193-H197 AromaticContact CZ-NE2 3.06Å; F193-H197 WeakPolarHBondContact CZ-NE2 3.48Å; F193-H197 PolarHBondContact O-CD2 3.31Å; F193-H197 PolarHBondContact O-N 3.11Å; H197-A199 VanDerWaalsContact C-N 3.31Å; H197-A199 PolarHBondContact O-N 2.85Å |
| 198 | R | 55.3 | Low | 56.4 | Low | 211 Ų | 211 | 121.5 Ų | 121.5 | 80% | 0.796 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -70.6 | -22.2 | 172.8 | -77.9 | -175.7 | -93.4 | -161.6 | -5.6 | 114.4 | D194 R196 | D194-R198 PolarHBondContact O-N 3.03Å; R196-R198 VanDerWaalsContact C-N 3.33Å |
| 199 | A | 55.1 | Low | 56 | Low | 80 Ų | 80 | 122.1 Ų | 122.1 | 66% | 0.661 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | 8.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | R196 H197 | R196-A199 PolarHBondContact O-N 2.8Å; H197-A199 VanDerWaalsContact C-N 3.31Å; H197-A199 PolarHBondContact O-N 2.85Å |
| 200 | K | 54.3 | Low | 56.1 | Low | 169 Ų | 169 | 115.8 Ų | 115.8 | 74% | 0.735 | 62% | 0.619 | S | S | * | * | trans | -115.4 | 70.8 | -178.1 | -76.9 | -169.7 | 172.7 | -164.5 | 0 | 112.7 | ||||
| 201 | S | 48.3 | Very low | 56.5 | Low | 121 Ų | 121 | 112 Ų | 112 | 85% | 0.846 | 61% | 0.611 | S | S | * | * | trans | -128.4 | 87.5 | 154.4 | -173.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 202 | A | 46.5 | Very low | 56.9 | Low | 103 Ų | 103 | 113.1 Ų | 113.1 | 85% | 0.851 | 61% | 0.609 | S | S | * | * | trans | -170.6 | 122.1 | 161.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 203 | G | 52.3 | Low | 57.3 | Low | 81 Ų | 81 | 118.3 Ų | 118.3 | 84% | 0.835 | 62% | 0.624 | S | S | * | * | trans | -84.6 | 159.8 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 204 | S | 48.3 | Very low | 58.1 | Low | 86 Ų | 86 | 118.2 Ų | 118.2 | 60% | 0.601 | 63% | 0.628 | S | S | * | * | trans | -175.2 | 134.1 | 149.9 | 174.1 | 0 | 0 | 0 | 0 | 111.2 | L209 | S204-L209 WeakPolarHBondContact O-CD1 3.37Å; S204-L209 WeakPolarHBondContact O-CG 3.15Å | ||
| 205 | A | 56.9 | Low | 59 | Low | 53 Ų | 53 | 119.5 Ų | 119.5 | 44% | 0.438 | 63% | 0.631 | S | S | . | * | trans | 48.2 | 106.8 | 161.6 | 0 | 0 | 0 | 0 | 0 | 120 | N207 E208 L209 | A205-N207 VanDerWaalsContact C-N 3.3Å; A205-N207 PolarHBondContact O-N 3.29Å; A205-E208 PolarHBondContact O-N 3.07Å; A205-L209 WeakPolarHBondContact O-CB 3.45Å; A205-L209 WeakPolarHBondContact O-CG 3.27Å; A205-L209 PolarHBondContact O-N 3.05Å | ||
| 206 | F | 57.1 | Low | 60 | Low | 179 Ų | 179 | 117.2 Ų | 117.2 | 79% | 0.785 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -57.1 | -33 | -176.6 | -154.6 | -95.5 | 0 | 0 | 0 | 114.4 | A210 | F206-A210 VanDerWaalsContact O-CB 3.27Å; F206-A210 WeakPolarHBondContact O-CB 3.47Å; F206-A210 PolarHBondContact O-N 3.14Å |
| 207 | N | 57.9 | Low | 61 | Low | 134 Ų | 134 | 113.5 Ų | 113.5 | 72% | 0.717 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -81.9 | -42.5 | -177.4 | -72.7 | -12.5 | 0 | 0 | 0 | 113.4 | A205 L209 A210 A211 | A205-N207 VanDerWaalsContact C-N 3.3Å; A205-N207 PolarHBondContact O-N 3.29Å; N207-L209 VanDerWaalsContact C-N 3.34Å; N207-A210 PolarHBondContact O-N 2.74Å; N207-A211 PolarHBondContact O-N 3.04Å |
| 208 | E | 56.3 | Low | 61.8 | Low | 131 Ų | 131 | 115.1 Ų | 115.1 | 61% | 0.612 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66.4 | -38.4 | 171.3 | -83.8 | -175.7 | 146.8 | 0 | 0 | 110.9 | A205 A210 A211 I212 | A205-E208 PolarHBondContact O-N 3.07Å; E208-A210 VanDerWaalsContact C-N 3.33Å; E208-A210 PolarHBondContact O-N 2.77Å; E208-A211 PolarHBondContact O-N 3.26Å; E208-I212 VanDerWaalsContact O-CB 3.23Å; E208-I212 WeakPolarHBondContact O-CB 3.1Å; E208-I212 WeakPolarHBondContact O-CD1 3.25Å; E208-I212 WeakPolarHBondContact O-CG1 3.33Å; E208-I212 PolarHBondContact O-N 3.34Å |
| 209 | L | 62.1 | Low | 62.9 | Low | 80 Ų | 80 | 111.7 Ų | 111.7 | 42% | 0.419 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -63.3 | -36.7 | 173.1 | -79.9 | 171.8 | 0 | 0 | 0 | 112.9 | S204 A205 N207 R213 | S204-L209 WeakPolarHBondContact O-CD1 3.37Å; S204-L209 WeakPolarHBondContact O-CG 3.15Å; A205-L209 WeakPolarHBondContact O-CB 3.45Å; A205-L209 WeakPolarHBondContact O-CG 3.27Å; A205-L209 PolarHBondContact O-N 3.05Å; N207-L209 VanDerWaalsContact C-N 3.34Å; L209-R213 VanDerWaalsContact O-CB 3.22Å; L209-R213 WeakPolarHBondContact O-CB 3.24Å; L209-R213 WeakPolarHBondContact O-CG 3.41Å; L209-R213 PolarHBondContact O-N 2.77Å |
| 210 | A | 63.9 | Low | 64.1 | Low | 39 Ų | 39 | 108.8 Ų | 108.8 | 32% | 0.322 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67.2 | -47.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | F206 N207 E208 I212 R213 I214 | F206-A210 VanDerWaalsContact O-CB 3.27Å; F206-A210 WeakPolarHBondContact O-CB 3.47Å; F206-A210 PolarHBondContact O-N 3.14Å; N207-A210 PolarHBondContact O-N 2.74Å; E208-A210 VanDerWaalsContact C-N 3.33Å; E208-A210 PolarHBondContact O-N 2.77Å; A210-I212 PolarHBondContact O-N 3.07Å; A210-R213 WeakPolarHBondContact O-CB 3.28Å; A210-R213 PolarHBondContact O-N 3.43Å; A210-R213 VanDerWaalsContact O-N 3.15Å; A210-I214 WeakPolarHBondContact O-CG1 3.03Å; A210-I214 PolarHBondContact O-N 3.46Å |
| 211 | A | 67.1 | Low | 65.3 | Low | 46 Ų | 46 | 106.3 Ų | 106.3 | 38% | 0.38 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -61.3 | -44.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | N207 E208 R213 I214 Q215 | N207-A211 PolarHBondContact O-N 3.04Å; E208-A211 PolarHBondContact O-N 3.26Å; A211-R213 VanDerWaalsContact C-N 3.34Å; A211-R213 PolarHBondContact O-N 3.45Å; A211-I214 PolarHBondContact O-N 3.05Å; A211-Q215 VanDerWaalsContact O-CB 3.28Å; A211-Q215 WeakPolarHBondContact O-CB 3.16Å; A211-Q215 VanDerWaalsContact O-CG 3.25Å; A211-Q215 WeakPolarHBondContact O-CG 3.26Å; A211-Q215 PolarHBondContact O-N 2.93Å |
| 212 | I | 68.6 | Low | 66.8 | Low | 98 Ų | 98 | 104 Ų | 104 | 50% | 0.503 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.4 | -39.3 | 174.4 | -69.1 | 163.9 | 0 | 0 | 0 | 110.4 | E208 A210 K216 | E208-I212 VanDerWaalsContact O-CB 3.23Å; E208-I212 WeakPolarHBondContact O-CB 3.1Å; E208-I212 WeakPolarHBondContact O-CD1 3.25Å; E208-I212 WeakPolarHBondContact O-CG1 3.33Å; E208-I212 PolarHBondContact O-N 3.34Å; A210-I212 PolarHBondContact O-N 3.07Å; I212-K216 WeakPolarHBondContact O-CA 3.37Å; I212-K216 WeakPolarHBondContact O-CB 3.21Å; I212-K216 PolarHBondContact O-N 3.16Å |
| 213 | R | 68.8 | Low | 68.3 | Low | 175 Ų | 175 | 104.4 Ų | 104.4 | 66% | 0.66 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.8 | -45.8 | 175.2 | -90.5 | 174.7 | 168.8 | 165.8 | -2.8 | 111.8 | L209 A210 A211 K216 I217 | L209-R213 VanDerWaalsContact O-CB 3.22Å; L209-R213 WeakPolarHBondContact O-CB 3.24Å; L209-R213 WeakPolarHBondContact O-CG 3.41Å; L209-R213 PolarHBondContact O-N 2.77Å; A210-R213 WeakPolarHBondContact O-CB 3.28Å; A210-R213 PolarHBondContact O-N 3.43Å; A210-R213 VanDerWaalsContact O-N 3.15Å; A211-R213 VanDerWaalsContact C-N 3.34Å; A211-R213 PolarHBondContact O-N 3.45Å; R213-K216 PolarHBondContact O-N 2.89Å; R213-I217 WeakPolarHBondContact O-CB 3.4Å; R213-I217 VanDerWaalsContact O-CG1 3.23Å; R213-I217 WeakPolarHBondContact O-CG1 3.13Å; R213-I217 PolarHBondContact O-N 3.38Å |
| 214 | I | 73.8 | Confident | 69.5 | Low | 117 Ų | 117 | 108 Ų | 108 | 60% | 0.6 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.7 | -49.6 | 178.3 | -66.6 | 166.3 | 0 | 0 | 0 | 110.1 | A210 A211 K216 I217 W218 | A210-I214 WeakPolarHBondContact O-CG1 3.03Å; A210-I214 PolarHBondContact O-N 3.46Å; A211-I214 PolarHBondContact O-N 3.05Å; I214-K216 VanDerWaalsContact C-N 3.26Å; I214-K216 PolarHBondContact O-N 3.09Å; I214-I217 PolarHBondContact O-N 2.93Å; I214-I217 VanDerWaalsContact O-N 3.17Å; I214-W218 WeakPolarHBondContact O-CB 3.29Å; I214-W218 PolarHBondContact O-N 3.28Å |
| 215 | Q | 75.4 | Confident | 70.7 | Confident | 107 Ų | 107 | 109.5 Ų | 109.5 | 50% | 0.5 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.7 | -36.9 | 176 | -72.5 | -176.7 | 7 | 0 | 0 | 111.7 | A211 K219 | A211-Q215 VanDerWaalsContact O-CB 3.28Å; A211-Q215 WeakPolarHBondContact O-CB 3.16Å; A211-Q215 VanDerWaalsContact O-CG 3.25Å; A211-Q215 WeakPolarHBondContact O-CG 3.26Å; A211-Q215 PolarHBondContact O-N 2.93Å; Q215-K219 WeakPolarHBondContact O-CB 3.39Å; Q215-K219 WeakPolarHBondContact O-CG 3.42Å; Q215-K219 PolarHBondContact O-N 2.85Å |
| 216 | K | 79.9 | Confident | 71.7 | Confident | 137 Ų | 137 | 113 Ų | 113 | 60% | 0.596 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.8 | -40.3 | 175.9 | -177.1 | -175.6 | 179.9 | -165.6 | 0 | 111.9 | I212 R213 I214 G220 | I212-K216 WeakPolarHBondContact O-CA 3.37Å; I212-K216 WeakPolarHBondContact O-CB 3.21Å; I212-K216 PolarHBondContact O-N 3.16Å; R213-K216 PolarHBondContact O-N 2.89Å; I214-K216 VanDerWaalsContact C-N 3.26Å; I214-K216 PolarHBondContact O-N 3.09Å; K216-G220 WeakPolarHBondContact O-CA 3.31Å; K216-G220 PolarHBondContact O-N 2.61Å |
| 217 | I | 78.1 | Confident | 72.6 | Confident | 113 Ų | 113 | 107.2 Ų | 107.2 | 58% | 0.579 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66 | -45.4 | 175.5 | -70.9 | 166.2 | 0 | 0 | 0 | 109.7 | R213 I214 G220 Y221 | R213-I217 WeakPolarHBondContact O-CB 3.4Å; R213-I217 VanDerWaalsContact O-CG1 3.23Å; R213-I217 WeakPolarHBondContact O-CG1 3.13Å; R213-I217 PolarHBondContact O-N 3.38Å; I214-I217 PolarHBondContact O-N 2.93Å; I214-I217 VanDerWaalsContact O-N 3.17Å; I217-G220 CarbonylContact O-C 3.6Å; I217-G220 PolarHBondContact O-N 3.13Å; I217-Y221 WeakPolarHBondContact O-CB 3.45Å; I217-Y221 PolarHBondContact O-N 3.1Å |
| 218 | W | 72.9 | Confident | 73.3 | Confident | 158 Ų | 158 | 107.3 Ų | 107.3 | 60% | 0.598 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67 | -52.2 | 179.4 | -177.2 | -111.3 | 0 | 0 | 0 | 112.5 | I214 G220 Y221 L222 | I214-W218 WeakPolarHBondContact O-CB 3.29Å; I214-W218 PolarHBondContact O-N 3.28Å; W218-G220 PolarHBondContact O-N 2.79Å; W218-Y221 HydrophobicContact CE3-CD1 4.41Å; W218-Y221 HydrophobicContact CZ3-CD1 4.24Å; W218-Y221 PolarHBondContact O-N 3.14Å; W218-Y221 VanDerWaalsContact O-N 3.12Å; W218-L222 HydrophobicContact CZ2-CD1 4.1Å; W218-L222 WeakPolarHBondContact O-CB 3.48Å; W218-L222 PolarHBondContact O-N 2.69Å |
| 219 | K | 77.3 | Confident | 74.1 | Confident | 138 Ų | 138 | 104.9 Ų | 104.9 | 60% | 0.6 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59.7 | -37.1 | 174 | -70.8 | 175.5 | 176.6 | 176.3 | 0 | 110.8 | Q215 Q223 | Q215-K219 WeakPolarHBondContact O-CB 3.39Å; Q215-K219 WeakPolarHBondContact O-CG 3.42Å; Q215-K219 PolarHBondContact O-N 2.85Å; K219-Q223 WeakPolarHBondContact O-CB 3.41Å; K219-Q223 PolarHBondContact O-N 3.38Å |
| 220 | G | 79.4 | Confident | 74.6 | Confident | 19 Ų | 19 | 103.3 Ų | 103.3 | 20% | 0.196 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -65.3 | -42.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | K216 I217 W218 R224 | K216-G220 WeakPolarHBondContact O-CA 3.31Å; K216-G220 PolarHBondContact O-N 2.61Å; I217-G220 CarbonylContact O-C 3.6Å; I217-G220 PolarHBondContact O-N 3.13Å; W218-G220 PolarHBondContact O-N 2.79Å; G220-R224 VanDerWaalsContact O-CB 3.29Å; G220-R224 WeakPolarHBondContact O-CB 3.46Å; G220-R224 VanDerWaalsContact O-CG 3.24Å; G220-R224 WeakPolarHBondContact O-CG 3.06Å; G220-R224 PolarHBondContact O-N 3.22Å; G220-R224 PolarHBondContact O-NE 3.31Å |
| 221 | Y | 80.3 | Confident | 75.1 | Confident | 118 Ų | 118 | 109.2 Ų | 109.2 | 46% | 0.463 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64 | -47.7 | 174.2 | 171.8 | -96.9 | 0 | 0 | 0 | 111 | I217 W218 Q223 R224 K225 | I217-Y221 WeakPolarHBondContact O-CB 3.45Å; I217-Y221 PolarHBondContact O-N 3.1Å; W218-Y221 HydrophobicContact CE3-CD1 4.41Å; W218-Y221 HydrophobicContact CZ3-CD1 4.24Å; W218-Y221 PolarHBondContact O-N 3.14Å; W218-Y221 VanDerWaalsContact O-N 3.12Å; Y221-Q223 VanDerWaalsContact C-N 3.33Å; Y221-Q223 PolarHBondContact O-N 3.06Å; Y221-R224 PolarHBondContact O-N 2.92Å; Y221-K225 HydrophobicContact CE1-CD 4.37Å; Y221-K225 WeakPolarHBondContact O-CB 3.35Å; Y221-K225 PolarHBondContact O-N 3.21Å |
| 222 | L | 79.3 | Confident | 75.3 | Confident | 71 Ų | 71 | 110.5 Ų | 110.5 | 37% | 0.372 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.4 | -41.1 | -179.6 | -148.8 | 126 | 0 | 0 | 0 | 111.2 | W218 K225 K226 | W218-L222 HydrophobicContact CZ2-CD1 4.1Å; W218-L222 WeakPolarHBondContact O-CB 3.48Å; W218-L222 PolarHBondContact O-N 2.69Å; L222-K225 PolarHBondContact O-N 3.38Å; L222-K226 HydrophobicContact CD2-CD 4.46Å; L222-K226 WeakPolarHBondContact O-CG 3.36Å; L222-K226 PolarHBondContact O-N 2.83Å |
| 223 | Q | 78.6 | Confident | 75.4 | Confident | 112 Ų | 112 | 111.5 Ų | 111.5 | 52% | 0.523 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.8 | -40.2 | 174.6 | -169.1 | 63.4 | 13.7 | 0 | 0 | 112 | K219 Y221 K225 K226 T227 | K219-Q223 WeakPolarHBondContact O-CB 3.41Å; K219-Q223 PolarHBondContact O-N 3.38Å; Y221-Q223 VanDerWaalsContact C-N 3.33Å; Y221-Q223 PolarHBondContact O-N 3.06Å; Q223-K225 VanDerWaalsContact C-N 3.32Å; Q223-K225 PolarHBondContact O-N 3.46Å; Q223-K226 PolarHBondContact O-N 2.86Å; Q223-T227 VanDerWaalsContact O-CB 3.27Å; Q223-T227 WeakPolarHBondContact O-CB 3.11Å; Q223-T227 PolarHBondContact O-N 3.06Å; Q223-T227 PolarHBondContact O-OG1 3.27Å |
| 224 | R | 77.9 | Confident | 75.6 | Confident | 157 Ų | 157 | 108.6 Ų | 108.6 | 59% | 0.592 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.4 | -38.4 | 173.5 | -79.3 | -177.7 | -68.2 | -106.6 | 0.9 | 111.7 | G220 Y221 T227 K228 | G220-R224 VanDerWaalsContact O-CB 3.29Å; G220-R224 WeakPolarHBondContact O-CB 3.46Å; G220-R224 VanDerWaalsContact O-CG 3.24Å; G220-R224 WeakPolarHBondContact O-CG 3.06Å; G220-R224 PolarHBondContact O-N 3.22Å; G220-R224 PolarHBondContact O-NE 3.31Å; Y221-R224 PolarHBondContact O-N 2.92Å; R224-T227 PolarHBondContact O-N 3.38Å; R224-K228 VanDerWaalsContact O-CB 3.22Å; R224-K228 WeakPolarHBondContact O-CB 3.17Å; R224-K228 PolarHBondContact O-N 3.32Å |
| 225 | K | 74.2 | Confident | 75.3 | Confident | 118 Ų | 118 | 105.2 Ų | 105.2 | 51% | 0.513 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.2 | -49 | 174.4 | -170.5 | 177.4 | 179.4 | 179.9 | 0 | 110.9 | Y221 L222 Q223 T227 K228 I229 | Y221-K225 HydrophobicContact CE1-CD 4.37Å; Y221-K225 WeakPolarHBondContact O-CB 3.35Å; Y221-K225 PolarHBondContact O-N 3.21Å; L222-K225 PolarHBondContact O-N 3.38Å; Q223-K225 VanDerWaalsContact C-N 3.32Å; Q223-K225 PolarHBondContact O-N 3.46Å; K225-T227 PolarHBondContact O-N 3.39Å; K225-K228 PolarHBondContact O-N 2.94Å; K225-I229 HydrophobicContact CG-CD1 4.21Å; K225-I229 WeakPolarHBondContact O-CG1 3.32Å; K225-I229 PolarHBondContact O-N 3.36Å |
| 226 | K | 76.2 | Confident | 75.1 | Confident | 126 Ų | 126 | 102.4 Ų | 102.4 | 55% | 0.548 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.6 | -43.1 | 174.4 | -75.4 | -174.8 | 177.3 | -173.8 | 0 | 112.6 | L222 Q223 K228 I229 A230 | L222-K226 HydrophobicContact CD2-CD 4.46Å; L222-K226 WeakPolarHBondContact O-CG 3.36Å; L222-K226 PolarHBondContact O-N 2.83Å; Q223-K226 PolarHBondContact O-N 2.86Å; K226-K228 VanDerWaalsContact C-N 3.32Å; K226-K228 PolarHBondContact O-N 3.47Å; K226-I229 PolarHBondContact O-N 3.29Å; K226-A230 WeakPolarHBondContact O-CB 3.27Å; K226-A230 PolarHBondContact O-N 2.78Å |
| 227 | T | 76 | Confident | 74.5 | Confident | 57 Ų | 57 | 103.2 Ų | 103.2 | 35% | 0.35 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68.4 | -34.2 | 178.6 | -50.5 | 0 | 0 | 0 | 0 | 111.2 | Q223 R224 K225 R231 | Q223-T227 VanDerWaalsContact O-CB 3.27Å; Q223-T227 WeakPolarHBondContact O-CB 3.11Å; Q223-T227 PolarHBondContact O-N 3.06Å; Q223-T227 PolarHBondContact O-OG1 3.27Å; R224-T227 PolarHBondContact O-N 3.38Å; K225-T227 PolarHBondContact O-N 3.39Å; T227-R231 WeakPolarHBondContact O-CB 3.46Å; T227-R231 PolarHBondContact O-N 3.24Å |
| 228 | K | 73.3 | Confident | 74.1 | Confident | 137 Ų | 137 | 98.7 Ų | 98.7 | 60% | 0.596 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -66.4 | -47.6 | 174.1 | -172.7 | 179.4 | 178.4 | -174.9 | 0 | 110.5 | R224 K225 K226 R231 D232 | R224-K228 VanDerWaalsContact O-CB 3.22Å; R224-K228 WeakPolarHBondContact O-CB 3.17Å; R224-K228 PolarHBondContact O-N 3.32Å; K225-K228 PolarHBondContact O-N 2.94Å; K226-K228 VanDerWaalsContact C-N 3.32Å; K226-K228 PolarHBondContact O-N 3.47Å; K228-R231 PolarHBondContact O-N 3.32Å; K228-D232 WeakPolarHBondContact O-CB 3.34Å; K228-D232 PolarHBondContact O-N 2.77Å |
| 229 | I | 72.8 | Confident | 73.3 | Confident | 80 Ų | 80 | 93.9 Ų | 93.9 | 41% | 0.41 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -59.3 | -51 | 175.6 | -66.4 | 164.3 | 0 | 0 | 0 | 110.7 | K225 K226 R231 D232 E233 | K225-I229 HydrophobicContact CG-CD1 4.21Å; K225-I229 WeakPolarHBondContact O-CG1 3.32Å; K225-I229 PolarHBondContact O-N 3.36Å; K226-I229 PolarHBondContact O-N 3.29Å; I229-R231 VanDerWaalsContact C-N 3.29Å; I229-R231 PolarHBondContact O-N 2.85Å; I229-D232 PolarHBondContact O-N 3.33Å; I229-D232 VanDerWaalsContact O-N 3.1Å; I229-E233 HydrophobicContact CG2-CG 4.35Å; I229-E233 WeakPolarHBondContact CG2-OE1 3.41Å; I229-E233 WeakPolarHBondContact O-CB 3.19Å; I229-E233 VanDerWaalsContact O-CG 3.31Å; I229-E233 WeakPolarHBondContact O-CG 3.41Å; I229-E233 PolarHBondContact O-N 3.1Å |
| 230 | A | 73.9 | Confident | 72.6 | Confident | 47 Ų | 47 | 89.5 Ų | 89.5 | 39% | 0.388 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.7 | -36.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | K226 E234 | K226-A230 WeakPolarHBondContact O-CB 3.27Å; K226-A230 PolarHBondContact O-N 2.78Å; A230-E234 WeakPolarHBondContact O-CB 3.27Å; A230-E234 PolarHBondContact O-N 3.37Å |
| 231 | R | 74.4 | Confident | 71.6 | Confident | 162 Ų | 162 | 92.2 Ų | 92.2 | 61% | 0.611 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -66.3 | -44.7 | 173 | 176.8 | -179.5 | 174.7 | 163.4 | -0.4 | 111.1 | T227 K228 I229 E233 E234 M235 | T227-R231 WeakPolarHBondContact O-CB 3.46Å; T227-R231 PolarHBondContact O-N 3.24Å; K228-R231 PolarHBondContact O-N 3.32Å; I229-R231 VanDerWaalsContact C-N 3.29Å; I229-R231 PolarHBondContact O-N 2.85Å; R231-E233 VanDerWaalsContact C-N 3.33Å; R231-E234 PolarHBondContact O-N 2.9Å; R231-M235 HydrophobicContact CG-CG 4.1Å; R231-M235 WeakPolarHBondContact O-CB 3.44Å; R231-M235 WeakPolarHBondContact O-CG 3.2Å; R231-M235 PolarHBondContact O-N 2.9Å |
| 232 | D | 70 | Confident | 70.1 | Confident | 73 Ų | 73 | 92.9 Ų | 92.9 | 39% | 0.39 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.2 | -41.2 | -179.7 | -65 | -19.7 | 0 | 0 | 0 | 109.8 | K228 I229 M235 I236 | K228-D232 WeakPolarHBondContact O-CB 3.34Å; K228-D232 PolarHBondContact O-N 2.77Å; I229-D232 PolarHBondContact O-N 3.33Å; I229-D232 VanDerWaalsContact O-N 3.1Å; D232-M235 PolarHBondContact O-N 3.23Å; D232-I236 WeakPolarHBondContact O-CB 3.48Å; D232-I236 WeakPolarHBondContact O-CD1 3.16Å; D232-I236 WeakPolarHBondContact O-CG1 3.27Å; D232-I236 PolarHBondContact O-N 2.79Å |
| 233 | E | 71.8 | Confident | 69.1 | Low | 120 Ų | 120 | 91.4 Ų | 91.4 | 56% | 0.561 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -61.9 | -42.9 | 171.5 | -72.6 | 170.5 | 176.3 | 0 | 0 | 112.4 | I229 R231 I236 F237 | I229-E233 HydrophobicContact CG2-CG 4.35Å; I229-E233 WeakPolarHBondContact CG2-OE1 3.41Å; I229-E233 WeakPolarHBondContact O-CB 3.19Å; I229-E233 VanDerWaalsContact O-CG 3.31Å; I229-E233 WeakPolarHBondContact O-CG 3.41Å; I229-E233 PolarHBondContact O-N 3.1Å; R231-E233 VanDerWaalsContact C-N 3.33Å; E233-I236 PolarHBondContact O-N 2.81Å; E233-F237 VanDerWaalsContact O-CB 3.27Å; E233-F237 WeakPolarHBondContact O-CB 3.38Å; E233-F237 PolarHBondContact O-N 2.97Å |
| 234 | E | 71.9 | Confident | 68 | Low | 113 Ų | 113 | 89.4 Ų | 89.4 | 53% | 0.528 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -68.5 | -38.3 | 176.7 | -170.4 | 178.7 | -168.4 | 0 | 0 | 111.2 | A230 R231 I236 F237 L238 | A230-E234 WeakPolarHBondContact O-CB 3.27Å; A230-E234 PolarHBondContact O-N 3.37Å; R231-E234 PolarHBondContact O-N 2.9Å; E234-I236 VanDerWaalsContact C-N 3.31Å; E234-I236 PolarHBondContact O-N 2.88Å; E234-F237 PolarHBondContact O-N 3.38Å; E234-L238 HydrophobicContact CG-CD1 3.8Å; E234-L238 HydrophobicContact CG-CG 4.28Å; E234-L238 WeakPolarHBondContact O-CB 3.46Å; E234-L238 WeakPolarHBondContact O-CG 3.18Å; E234-L238 PolarHBondContact O-N 3.17Å |
| 235 | M | 68.6 | Low | 66.7 | Low | 46 Ų | 46 | 85.1 Ų | 85.1 | 23% | 0.227 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -66.4 | -34.9 | 174.8 | -68.6 | -72.8 | -69.1 | 0 | 0 | 111.6 | R231 D232 G239 M240 V241 | R231-M235 HydrophobicContact CG-CG 4.1Å; R231-M235 WeakPolarHBondContact O-CB 3.44Å; R231-M235 WeakPolarHBondContact O-CG 3.2Å; R231-M235 PolarHBondContact O-N 2.9Å; D232-M235 PolarHBondContact O-N 3.23Å; M235-G239 PolarHBondContact O-N 3.08Å; M235-M240 HydrophobicContact CE-CB 3.6Å; M235-M240 HydrophobicContact CE-CE 4.37Å; M235-M240 HydrophobicContact CE-CG 4.44Å; M235-M240 HydrophobicContact CE-SD 4.05Å; M235-M240 PolarHBondContact O-N 2.88Å; M235-M240 HydrophobicContact SD-CB 4.18Å; M235-M240 HydrophobicContact SD-CE 3.59Å; M235-M240 VanDerWaalsContact SD-CE 3.59Å; M235-M240 HydrophobicContact SD-SD 4.04Å; M235-V241 HydrophobicContact CB-CB 4.27Å; M235-V241 HydrophobicContact CB-CG2 3.99Å; M235-V241 HydrophobicContact CE-CG2 4.13Å; M235-V241 PolarHBondContact O-N 3.47Å; M235-V241 VanDerWaalsContact O-N 3.16Å |
| 236 | I | 70.1 | Confident | 65.7 | Low | 49 Ų | 49 | 86.5 Ų | 86.5 | 25% | 0.251 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -67.3 | -48.6 | 171.3 | -72.4 | 163.7 | 0 | 0 | 0 | 110.7 | D232 E233 E234 L238 G239 V241 D243 | D232-I236 WeakPolarHBondContact O-CB 3.48Å; D232-I236 WeakPolarHBondContact O-CD1 3.16Å; D232-I236 WeakPolarHBondContact O-CG1 3.27Å; D232-I236 PolarHBondContact O-N 2.79Å; E233-I236 PolarHBondContact O-N 2.81Å; E234-I236 VanDerWaalsContact C-N 3.31Å; E234-I236 PolarHBondContact O-N 2.88Å; I236-L238 VanDerWaalsContact C-N 3.32Å; I236-L238 PolarHBondContact O-N 3.33Å; I236-G239 PolarHBondContact O-N 2.79Å; I236-V241 WeakPolarHBondContact CA-O 3.19Å; I236-V241 HydrophobicContact CG1-CB 4.45Å; I236-V241 HydrophobicContact CG1-CG1 4.43Å; I236-D243 HydrophobicContact CG2-CB 3.62Å |
| 237 | F | 67.3 | Low | 64.5 | Low | 153 Ų | 153 | 88.3 Ų | 88.3 | 67% | 0.671 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -62.4 | -37.3 | 178.8 | 176 | -102.8 | 0 | 0 | 0 | 112.9 | E233 E234 G239 | E233-F237 VanDerWaalsContact O-CB 3.27Å; E233-F237 WeakPolarHBondContact O-CB 3.38Å; E233-F237 PolarHBondContact O-N 2.97Å; E234-F237 PolarHBondContact O-N 3.38Å; F237-G239 PolarHBondContact O-N 3.47Å |
| 238 | L | 69.4 | Low | 63.5 | Low | 19 Ų | 19 | 90.3 Ų | 90.3 | 10% | 0.099 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -1.3 | 176.2 | -66.3 | 172.4 | 0 | 0 | 0 | 113.1 | R174 E234 I236 M240 | R174-L238 HydrophobicContact CB-CD2 3.89Å; E234-L238 HydrophobicContact CG-CD1 3.8Å; E234-L238 HydrophobicContact CG-CG 4.28Å; E234-L238 WeakPolarHBondContact O-CB 3.46Å; E234-L238 WeakPolarHBondContact O-CG 3.18Å; E234-L238 PolarHBondContact O-N 3.17Å; I236-L238 VanDerWaalsContact C-N 3.32Å; I236-L238 PolarHBondContact O-N 3.33Å; L238-M240 VanDerWaalsContact C-N 3.26Å; L238-M240 HydrophobicContact CB-CE 3.76Å; L238-M240 HydrophobicContact CD1-CE 3.5Å; L238-M240 VanDerWaalsContact CD1-CE 3.5Å; L238-M240 HydrophobicContact CG-CE 4.28Å; L238-M240 PolarHBondContact O-N 3.26Å |
| 239 | G | 56.9 | Low | 62.6 | Low | 56 Ų | 56 | 86.7 Ų | 86.7 | 58% | 0.577 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.5 | 16.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | M235 I236 F237 | M235-G239 PolarHBondContact O-N 3.08Å; I236-G239 PolarHBondContact O-N 2.79Å; F237-G239 PolarHBondContact O-N 3.47Å |
| 240 | M | 62.6 | Low | 62 | Low | 47 Ų | 47 | 89 Ų | 89 | 23% | 0.232 | 46% | 0.458 | C | S | . | . | S | Bend | trans | -83.9 | -19.3 | 177.4 | -70.9 | -169.2 | -90.4 | 0 | 0 | 113 | A175 R179 M235 L238 | A175-M240 HydrophobicContact CB-CE 4.05Å; A175-M240 HydrophobicContact CB-CG 3.82Å; A175-M240 HydrophobicContact CB-SD 3.95Å; R179-M240 HydrophobicContact CG-SD 4.23Å; M235-M240 HydrophobicContact CE-CB 3.6Å; M235-M240 HydrophobicContact CE-CE 4.37Å; M235-M240 HydrophobicContact CE-CG 4.44Å; M235-M240 HydrophobicContact CE-SD 4.05Å; M235-M240 PolarHBondContact O-N 2.88Å; M235-M240 HydrophobicContact SD-CB 4.18Å; M235-M240 HydrophobicContact SD-CE 3.59Å; M235-M240 VanDerWaalsContact SD-CE 3.59Å; M235-M240 HydrophobicContact SD-SD 4.04Å; L238-M240 VanDerWaalsContact C-N 3.26Å; L238-M240 HydrophobicContact CB-CE 3.76Å; L238-M240 HydrophobicContact CD1-CE 3.5Å; L238-M240 VanDerWaalsContact CD1-CE 3.5Å; L238-M240 HydrophobicContact CG-CE 4.28Å; L238-M240 PolarHBondContact O-N 3.26Å |
| 241 | V | 57.5 | Low | 61.6 | Low | 75 Ų | 75 | 92.7 Ų | 92.7 | 46% | 0.455 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -136.8 | 135.3 | 173.8 | 176.2 | 0 | 0 | 0 | 0 | 107.2 | M235 I236 | M235-V241 HydrophobicContact CB-CB 4.27Å; M235-V241 HydrophobicContact CB-CG2 3.99Å; M235-V241 HydrophobicContact CE-CG2 4.13Å; M235-V241 PolarHBondContact O-N 3.47Å; M235-V241 VanDerWaalsContact O-N 3.16Å; I236-V241 WeakPolarHBondContact CA-O 3.19Å; I236-V241 HydrophobicContact CG1-CB 4.45Å; I236-V241 HydrophobicContact CG1-CG1 4.43Å |
| 242 | M | 50.2 | Low | 61.2 | Low | 132 Ų | 132 | 87.8 Ų | 87.8 | 65% | 0.65 | 46% | 0.462 | S | S | * | . | trans | -70.2 | 137.8 | 175.7 | -83.7 | -179.4 | 67 | 0 | 0 | 111.3 | Y246 | M242-Y246 WeakPolarHBondContact CE-O 3.26Š| ||
| 243 | D | 56.9 | Low | 61.1 | Low | 41 Ų | 41 | 89.3 Ų | 89.3 | 22% | 0.219 | 47% | 0.466 | C | S | . | . | trans | -58.2 | 133.8 | 172.8 | -173.3 | -33 | 0 | 0 | 0 | 109.6 | I236 K245 Y246 | I236-D243 HydrophobicContact CG2-CB 3.62Å; D243-K245 PolarHBondContact O-N 2.96Å; D243-K245 WeakPolarHBondContact OD1-CB 3.28Å; D243-K245 WeakPolarHBondContact OD1-CG 3.49Å; D243-K245 PolarHBondContact OD1-N 3.25Å; D243-Y246 HydrophobicContact CB-CD2 3.62Å; D243-Y246 HydrophobicContact CB-CE2 3.91Å; D243-Y246 WeakPolarHBondContact O-CA 3.37Å; D243-Y246 PolarHBondContact O-N 3.31Å | ||
| 244 | P | 56.5 | Low | 61.1 | Low | 69 Ų | 69 | 86.4 Ų | 86.4 | 45% | 0.448 | 45% | 0.454 | S | S | . | . | G | 310 helix | trans | -54.3 | -15.5 | 171.9 | -25.1 | 32.5 | 0 | 0 | 0 | 115.1 | Y246 | P244-Y246 VanDerWaalsContact C-N 3.33Š|
| 245 | K | 50.3 | Low | 61.2 | Low | 67 Ų | 67 | 84.6 Ų | 84.6 | 29% | 0.291 | 45% | 0.448 | S | S | . | . | G | 310 helix | trans | -69.1 | -26.8 | 168.4 | -70.1 | 176.6 | 176.8 | -169.8 | 0 | 113.4 | D243 K717 T756 | D243-K245 PolarHBondContact O-N 2.96Å; D243-K245 WeakPolarHBondContact OD1-CB 3.28Å; D243-K245 WeakPolarHBondContact OD1-CG 3.49Å; D243-K245 PolarHBondContact OD1-N 3.25Å; K245-K717 HydrophobicContact CG-CD 4.36Å; K245-K717 VanDerWaalsContact CG-CE 3.47Å; K245-T756 PolarHBondContact NZ-OG1 3.44Å |
| 246 | Y | 52.3 | Low | 61.5 | Low | 148 Ų | 148 | 84.7 Ų | 84.7 | 58% | 0.58 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -101.2 | 19.7 | 175 | -52.4 | -71.2 | 0 | 0 | 0 | 112.5 | M242 D243 P244 T248 | M242-Y246 WeakPolarHBondContact CE-O 3.26Å; D243-Y246 HydrophobicContact CB-CD2 3.62Å; D243-Y246 HydrophobicContact CB-CE2 3.91Å; D243-Y246 WeakPolarHBondContact O-CA 3.37Å; D243-Y246 PolarHBondContact O-N 3.31Å; P244-Y246 VanDerWaalsContact C-N 3.33Å; Y246-T248 PolarHBondContact O-N 3.45Å; Y246-T248 PolarHBondContact O-OG1 3.46Å |
| 247 | Q | 51.3 | Low | 61.8 | Low | 164 Ų | 164 | 88 Ų | 88 | 77% | 0.766 | 47% | 0.47 | S | S | * | . | trans | -62 | 94.7 | 157.9 | -84.8 | 179.4 | -22.2 | 0 | 0 | 107.4 | ||||
| 248 | T | 55.4 | Low | 62.4 | Low | 98 Ų | 98 | 83.2 Ų | 83.2 | 60% | 0.601 | 46% | 0.459 | S | S | * | . | trans | -46.4 | 168.2 | 153.6 | 7.4 | 0 | 0 | 0 | 0 | 110.1 | Y246 | Y246-T248 PolarHBondContact O-N 3.45Å; Y246-T248 PolarHBondContact O-OG1 3.46Å | ||
| 249 | P | 55 | Low | 63 | Low | 61 Ų | 61 | 86.6 Ų | 86.6 | 40% | 0.396 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -44.3 | 146 | -172.7 | 15.3 | -30.2 | 0 | 0 | 0 | 112.2 | Q251 E253 I254 | P249-Q251 PolarHBondContact O-N 2.9Å; P249-E253 HydrophobicContact CB-CB 4.29Å; P249-E253 WeakPolarHBondContact CB-OE2 3.45Å; P249-I254 HydrophobicContact CG-CD1 4.22Å; P249-I254 HydrophobicContact CG-CG1 3.98Å |
| 250 | L | 60.3 | Low | 63.9 | Low | 129 Ų | 129 | 86.6 Ų | 86.6 | 68% | 0.675 | 46% | 0.463 | S | S | * | . | trans | -38.1 | 127.9 | -177.1 | -157.2 | 82.2 | 0 | 0 | 0 | 109.1 | A252 E253 | L250-A252 HydrophobicContact CD2-CB 4.24Å; L250-A252 CarbonylContact O-C 3.54Å; L250-A252 PolarHBondContact O-N 2.88Å; L250-E253 HydrophobicContact CB-CG 4.28Å; L250-E253 WeakPolarHBondContact O-CA 3.49Å; L250-E253 WeakPolarHBondContact O-CB 3.39Å; L250-E253 PolarHBondContact O-N 2.88Å | ||
| 251 | Q | 64.1 | Low | 64.8 | Low | 124 Ų | 124 | 87.9 Ų | 87.9 | 58% | 0.579 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -47.4 | -34.5 | -173.2 | -175.5 | 63.8 | 40.9 | 0 | 0 | 112.8 | P249 E253 I254 D255 | P249-Q251 PolarHBondContact O-N 2.9Å; Q251-E253 VanDerWaalsContact C-N 3.35Å; Q251-E253 PolarHBondContact O-N 3.03Å; Q251-I254 PolarHBondContact O-N 3.5Å; Q251-D255 PolarHBondContact NE2-OD1 3.48Å; Q251-D255 WeakPolarHBondContact O-CB 3.17Å; Q251-D255 PolarHBondContact O-N 2.99Å |
| 252 | A | 66.7 | Low | 66 | Low | 60 Ų | 60 | 87 Ų | 87 | 50% | 0.496 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59 | -35.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | L250 A256 | L250-A252 HydrophobicContact CD2-CB 4.24Å; L250-A252 CarbonylContact O-C 3.54Å; L250-A252 PolarHBondContact O-N 2.88Å; A252-A256 WeakPolarHBondContact O-CB 3.44Å; A252-A256 PolarHBondContact O-N 3.03Å |
| 253 | E | 67.6 | Low | 67.6 | Low | 104 Ų | 104 | 81.5 Ų | 81.5 | 49% | 0.486 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -70.5 | -38.9 | 175.6 | -68 | 179.5 | -177.8 | 0 | 0 | 111.7 | P249 L250 Q251 A256 Q257 | P249-E253 HydrophobicContact CB-CB 4.29Å; P249-E253 WeakPolarHBondContact CB-OE2 3.45Å; L250-E253 HydrophobicContact CB-CG 4.28Å; L250-E253 WeakPolarHBondContact O-CA 3.49Å; L250-E253 WeakPolarHBondContact O-CB 3.39Å; L250-E253 PolarHBondContact O-N 2.88Å; Q251-E253 VanDerWaalsContact C-N 3.35Å; Q251-E253 PolarHBondContact O-N 3.03Å; E253-A256 PolarHBondContact O-N 3.36Å; E253-Q257 VanDerWaalsContact O-CG 3.27Å; E253-Q257 WeakPolarHBondContact O-CG 3.25Å; E253-Q257 PolarHBondContact O-N 3.43Å |
| 254 | I | 71.4 | Confident | 68.8 | Low | 60 Ų | 60 | 83.5 Ų | 83.5 | 31% | 0.308 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -67.3 | -46.2 | 176.2 | -60.7 | 175.6 | 0 | 0 | 0 | 109.6 | P249 Q251 A256 Q257 A258 | P249-I254 HydrophobicContact CG-CD1 4.22Å; P249-I254 HydrophobicContact CG-CG1 3.98Å; Q251-I254 PolarHBondContact O-N 3.5Å; I254-A256 VanDerWaalsContact C-N 3.31Å; I254-A256 PolarHBondContact O-N 3.35Å; I254-Q257 PolarHBondContact O-N 2.86Å; I254-A258 WeakPolarHBondContact O-CB 3.28Å; I254-A258 PolarHBondContact O-N 2.86Å |
| 255 | D | 75.8 | Confident | 70.1 | Confident | 75 Ų | 75 | 84.1 Ų | 84.1 | 40% | 0.401 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.3 | -40.4 | 177 | -63.9 | -16.4 | 0 | 0 | 0 | 110.7 | Q251 A258 I259 | Q251-D255 PolarHBondContact NE2-OD1 3.48Å; Q251-D255 WeakPolarHBondContact O-CB 3.17Å; Q251-D255 PolarHBondContact O-N 2.99Å; D255-A258 PolarHBondContact O-N 3.08Å; D255-I259 WeakPolarHBondContact O-CB 3.24Å; D255-I259 WeakPolarHBondContact O-CD1 3.47Å; D255-I259 WeakPolarHBondContact O-CG1 3.36Å; D255-I259 PolarHBondContact O-N 3.38Å |
| 256 | A | 74.5 | Confident | 71.8 | Confident | 47 Ų | 47 | 86.5 Ų | 86.5 | 39% | 0.388 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A252 E253 I254 A258 I259 D260 | A252-A256 WeakPolarHBondContact O-CB 3.44Å; A252-A256 PolarHBondContact O-N 3.03Å; E253-A256 PolarHBondContact O-N 3.36Å; I254-A256 VanDerWaalsContact C-N 3.31Å; I254-A256 PolarHBondContact O-N 3.35Å; A256-A258 VanDerWaalsContact C-N 3.34Å; A256-A258 PolarHBondContact O-N 3.04Å; A256-I259 PolarHBondContact O-N 2.84Å; A256-D260 PolarHBondContact O-N 2.91Å |
| 257 | Q | 76.4 | Confident | 73.4 | Confident | 118 Ų | 118 | 80.5 Ų | 80.5 | 55% | 0.551 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -64.3 | -38.2 | 175.6 | -72.5 | 174.3 | 15.5 | 0 | 0 | 112.3 | E253 I254 D260 T261 | E253-Q257 VanDerWaalsContact O-CG 3.27Å; E253-Q257 WeakPolarHBondContact O-CG 3.25Å; E253-Q257 PolarHBondContact O-N 3.43Å; I254-Q257 PolarHBondContact O-N 2.86Å; Q257-D260 PolarHBondContact O-N 3.31Å; Q257-T261 WeakPolarHBondContact O-CG2 3.45Å; Q257-T261 PolarHBondContact O-N 3.11Å; Q257-T261 PolarHBondContact O-OG1 3.18Å |
| 258 | A | 80.1 | Confident | 75 | Confident | 54 Ų | 54 | 78.4 Ų | 78.4 | 45% | 0.446 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65.5 | -39.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I254 D255 A256 T261 S262 | I254-A258 WeakPolarHBondContact O-CB 3.28Å; I254-A258 PolarHBondContact O-N 2.86Å; D255-A258 PolarHBondContact O-N 3.08Å; A256-A258 VanDerWaalsContact C-N 3.34Å; A256-A258 PolarHBondContact O-N 3.04Å; A258-T261 WeakPolarHBondContact CA-OG1 3.41Å; A258-T261 PolarHBondContact O-OG1 3.44Å; A258-S262 WeakPolarHBondContact O-CB 3.44Å; A258-S262 PolarHBondContact O-N 2.79Å |
| 259 | I | 80.8 | Confident | 76.5 | Confident | 89 Ų | 89 | 79.9 Ų | 79.9 | 46% | 0.456 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.4 | -50.1 | 174.5 | -70 | 162.8 | 0 | 0 | 0 | 110.1 | D255 A256 T261 S262 I263 | D255-I259 WeakPolarHBondContact O-CB 3.24Å; D255-I259 WeakPolarHBondContact O-CD1 3.47Å; D255-I259 WeakPolarHBondContact O-CG1 3.36Å; D255-I259 PolarHBondContact O-N 3.38Å; A256-I259 PolarHBondContact O-N 2.84Å; I259-T261 VanDerWaalsContact C-N 3.33Å; I259-T261 PolarHBondContact O-N 3.17Å; I259-S262 PolarHBondContact O-N 3.34Å; I259-S262 VanDerWaalsContact O-N 3.12Å; I259-S262 PolarHBondContact O-OG 3.24Å; I259-I263 HydrophobicContact CG2-CD1 3.7Å; I259-I263 HydrophobicContact CG2-CG1 4.32Å; I259-I263 WeakPolarHBondContact O-CG1 3.15Å; I259-I263 PolarHBondContact O-N 2.91Å |
| 260 | D | 76.9 | Confident | 78.1 | Confident | 56 Ų | 56 | 78.6 Ų | 78.6 | 30% | 0.299 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -57 | -45.6 | 178.9 | -80.8 | -2.6 | 0 | 0 | 0 | 112.2 | A256 Q257 I263 R264 | A256-D260 PolarHBondContact O-N 2.91Å; Q257-D260 PolarHBondContact O-N 3.31Å; D260-I263 PolarHBondContact O-N 2.7Å; D260-R264 WeakPolarHBondContact O-CD 3.48Å; D260-R264 WeakPolarHBondContact O-CG 3.39Å; D260-R264 PolarHBondContact O-N 2.74Å; D260-R264 VanDerWaalsContact O-N 3.09Å |
| 261 | T | 80.8 | Confident | 79.3 | Confident | 75 Ų | 75 | 75.1 Ų | 75.1 | 46% | 0.46 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.2 | -40.6 | 177.4 | 50.2 | 0 | 0 | 0 | 0 | 111.8 | Q257 A258 I259 R264 V265 | Q257-T261 WeakPolarHBondContact O-CG2 3.45Å; Q257-T261 PolarHBondContact O-N 3.11Å; Q257-T261 PolarHBondContact O-OG1 3.18Å; A258-T261 WeakPolarHBondContact CA-OG1 3.41Å; A258-T261 PolarHBondContact O-OG1 3.44Å; I259-T261 VanDerWaalsContact C-N 3.33Å; I259-T261 PolarHBondContact O-N 3.17Å; T261-R264 PolarHBondContact O-N 3.27Å; T261-V265 WeakPolarHBondContact O-CG2 3.48Å; T261-V265 PolarHBondContact O-N 3.32Å; T261-V265 VanDerWaalsContact O-N 3.15Å |
| 262 | S | 83 | Confident | 80.4 | Confident | 56 Ų | 56 | 74.4 Ų | 74.4 | 39% | 0.392 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.3 | -40.2 | 176.2 | 79.6 | 0 | 0 | 0 | 0 | 112.9 | A258 I259 R264 V265 R266 | A258-S262 WeakPolarHBondContact O-CB 3.44Å; A258-S262 PolarHBondContact O-N 2.79Å; I259-S262 PolarHBondContact O-N 3.34Å; I259-S262 VanDerWaalsContact O-N 3.12Å; I259-S262 PolarHBondContact O-OG 3.24Å; S262-R264 VanDerWaalsContact C-N 3.33Å; S262-R264 PolarHBondContact O-N 3.06Å; S262-V265 PolarHBondContact O-N 3.48Å; S262-R266 PolarHBondContact O-N 3.17Å; S262-R266 VanDerWaalsContact O-N 3.08Å |
| 263 | I | 83.2 | Confident | 81.5 | Confident | 16 Ų | 16 | 75.3 Ų | 75.3 | 8% | 0.082 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 177.2 | -73.6 | 172 | 0 | 0 | 0 | 109.8 | M63 I259 D260 V265 R266 Q267 | M63-I263 HydrophobicContact SD-CD1 3.75Å; I259-I263 HydrophobicContact CG2-CD1 3.7Å; I259-I263 HydrophobicContact CG2-CG1 4.32Å; I259-I263 WeakPolarHBondContact O-CG1 3.15Å; I259-I263 PolarHBondContact O-N 2.91Å; D260-I263 PolarHBondContact O-N 2.7Å; I263-V265 PolarHBondContact O-N 2.77Å; I263-R266 WeakPolarHBondContact O-CB 3.35Å; I263-R266 PolarHBondContact O-N 3.45Å; I263-R266 VanDerWaalsContact O-N 3.13Å; I263-Q267 HydrophobicContact CG2-CG 4.32Å; I263-Q267 WeakPolarHBondContact O-CG 3.31Å; I263-Q267 PolarHBondContact O-N 2.94Å |
| 264 | R | 81.6 | Confident | 82.6 | Confident | 84 Ų | 84 | 70.5 Ų | 70.5 | 32% | 0.317 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.5 | -42.3 | 178.6 | -68.6 | 165 | -167.7 | -175.2 | 10.3 | 112.9 | Y122 D260 T261 S262 R266 Q267 K268 | Y122-R264 HydrophobicContact CE1-CG 4.4Å; Y122-R264 VanDerWaalsContact CZ-CZ 3.45Å; Y122-R264 WeakPolarHBondContact OH-CD 3.24Å; Y122-R264 PolarHBondContact OH-NE 2.97Å; Y122-R264 PolarHBondContact OH-NH1 2.85Å; D260-R264 WeakPolarHBondContact O-CD 3.48Å; D260-R264 WeakPolarHBondContact O-CG 3.39Å; D260-R264 PolarHBondContact O-N 2.74Å; D260-R264 VanDerWaalsContact O-N 3.09Å; T261-R264 PolarHBondContact O-N 3.27Å; S262-R264 VanDerWaalsContact C-N 3.33Å; S262-R264 PolarHBondContact O-N 3.06Å; R264-R266 VanDerWaalsContact C-N 3.26Å; R264-R266 PolarHBondContact O-N 2.94Å; R264-Q267 PolarHBondContact O-N 2.86Å; R264-K268 PolarHBondContact O-N 2.93Å; R264-K268 VanDerWaalsContact O-N 3.12Å |
| 265 | V | 84.9 | Confident | 83.4 | Confident | 81 Ų | 81 | 71.4 Ų | 71.4 | 49% | 0.491 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.8 | -40.5 | 175.3 | 173.2 | 0 | 0 | 0 | 0 | 110.2 | T261 S262 I263 K269 | T261-V265 WeakPolarHBondContact O-CG2 3.48Å; T261-V265 PolarHBondContact O-N 3.32Å; T261-V265 VanDerWaalsContact O-N 3.15Å; S262-V265 PolarHBondContact O-N 3.48Å; I263-V265 PolarHBondContact O-N 2.77Å; V265-K269 HydrophobicContact CG1-CD 4.44Å; V265-K269 WeakPolarHBondContact O-CG 3.16Å; V265-K269 PolarHBondContact O-N 3.16Å |
| 266 | R | 85.7 | Confident | 84.1 | Confident | 117 Ų | 117 | 73 Ų | 73 | 44% | 0.442 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66 | -44.1 | 176.7 | -161.3 | -177.7 | -66.7 | 155.3 | 0.7 | 111.9 | V65 S262 I263 R264 K268 K269 H270 | V65-R266 HydrophobicContact CG1-CB 4.3Å; V65-R266 HydrophobicContact CG1-CG 3.78Å; S262-R266 PolarHBondContact O-N 3.17Å; S262-R266 VanDerWaalsContact O-N 3.08Å; I263-R266 WeakPolarHBondContact O-CB 3.35Å; I263-R266 PolarHBondContact O-N 3.45Å; I263-R266 VanDerWaalsContact O-N 3.13Å; R264-R266 VanDerWaalsContact C-N 3.26Å; R264-R266 PolarHBondContact O-N 2.94Å; R266-K268 PolarHBondContact O-N 2.98Å; R266-K269 PolarHBondContact O-N 3.44Å; R266-H270 PolarHBondContact O-CD2 3.26Å; R266-H270 PolarHBondContact O-N 2.92Å |
| 267 | Q | 85.4 | Confident | 84.8 | Confident | 22 Ų | 22 | 71.6 Ų | 71.6 | 10% | 0.103 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -55.5 | -47.7 | 176.7 | -72.7 | 163.9 | -1.6 | 0 | 0 | 112 | N62 L64 V65 I263 R264 K269 H270 E271 | N62-Q267 PolarHBondContact O-NE2 3.13Å; L64-Q267 PolarHBondContact O-NE2 3.28Å; V65-Q267 HydrophobicContact CG2-CG 4.35Å; I263-Q267 HydrophobicContact CG2-CG 4.32Å; I263-Q267 WeakPolarHBondContact O-CG 3.31Å; I263-Q267 PolarHBondContact O-N 2.94Å; R264-Q267 PolarHBondContact O-N 2.86Å; Q267-K269 PolarHBondContact O-N 3.3Å; Q267-H270 PolarHBondContact O-N 3.41Å; Q267-E271 PolarHBondContact O-N 3.09Å |
| 268 | K | 85 | Confident | 85.4 | Confident | 121 Ų | 121 | 67.1 Ų | 67.1 | 53% | 0.526 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.2 | -45.7 | 177.2 | -72.6 | -174.7 | 176.6 | -175.7 | 0 | 112.1 | R264 R266 H270 E271 E272 | R264-K268 PolarHBondContact O-N 2.93Å; R264-K268 VanDerWaalsContact O-N 3.12Å; R266-K268 PolarHBondContact O-N 2.98Å; K268-H270 PolarHBondContact O-N 3.38Å; K268-E271 PolarHBondContact O-N 2.89Å; K268-E272 WeakPolarHBondContact O-CG 3.37Å; K268-E272 PolarHBondContact O-N 2.85Å |
| 269 | K | 87.5 | Confident | 85.8 | Confident | 128 Ų | 128 | 69 Ų | 69 | 56% | 0.557 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -62 | -43.4 | 177.8 | -70.8 | 178.7 | 178.7 | -173.5 | 0 | 112.4 | V265 R266 Q267 E272 V273 | V265-K269 HydrophobicContact CG1-CD 4.44Å; V265-K269 WeakPolarHBondContact O-CG 3.16Å; V265-K269 PolarHBondContact O-N 3.16Å; R266-K269 PolarHBondContact O-N 3.44Å; Q267-K269 PolarHBondContact O-N 3.3Å; K269-E272 PolarHBondContact O-N 3.48Å; K269-V273 WeakPolarHBondContact O-CB 3.3Å; K269-V273 VanDerWaalsContact O-CG2 3.22Å; K269-V273 WeakPolarHBondContact O-CG2 3.47Å; K269-V273 PolarHBondContact O-N 2.9Å |
| 270 | H | 87.6 | Confident | 86.2 | Confident | 34 Ų | 34 | 66.9 Ų | 66.9 | 16% | 0.157 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.9 | -35.6 | 179.1 | -80.3 | -112.3 | 0 | 0 | 0 | 112.2 | V65 R266 Q267 K268 Y274 T414 Q415 | V65-H270 HydrophobicContact CG1-CB 3.98Å; R266-H270 PolarHBondContact O-CD2 3.26Å; R266-H270 PolarHBondContact O-N 2.92Å; Q267-H270 PolarHBondContact O-N 3.41Å; K268-H270 PolarHBondContact O-N 3.38Å; H270-Y274 VanDerWaalsContact O-CB 3.25Å; H270-Y274 WeakPolarHBondContact O-CB 3.34Å; H270-Y274 PolarHBondContact O-N 2.86Å; H270-T414 PolarHBondContact CE1-O 3.31Å; H270-Q415 PolarHBondContact ND1-O 2.73Å; H270-Q415 VanDerWaalsContact ND1-O 3.09Å |
| 271 | E | 86.1 | Confident | 86.8 | Confident | 56 Ų | 56 | 64.7 Ų | 64.7 | 26% | 0.262 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.4 | -46.3 | 174.1 | -170 | 65.9 | -162.5 | 0 | 0 | 111.3 | P67 R71 Q267 K268 V273 Y274 L275 | P67-E271 WeakPolarHBondContact CB-OE2 3.4Å; R71-E271 IonicContact CZ-OE1 3.68Å; R71-E271 IonicContact NE-OE1 2.72Å; R71-E271 IonicContact NH2-OE1 2.94Å; R71-E271 PolarHBondContact NH2-OE1 2.98Å; Q267-E271 PolarHBondContact O-N 3.09Å; K268-E271 PolarHBondContact O-N 2.89Å; E271-V273 PolarHBondContact O-N 3.27Å; E271-Y274 PolarHBondContact O-N 3.45Å; E271-L275 HydrophobicContact CG-CD1 4.39Å; E271-L275 WeakPolarHBondContact O-CG 3.49Å; E271-L275 PolarHBondContact O-N 2.83Å |
| 272 | E | 87.9 | Confident | 87.1 | Confident | 109 Ų | 109 | 62.5 Ų | 62.5 | 51% | 0.509 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.8 | -45.6 | 176.2 | -73.5 | 170.5 | -175.9 | 0 | 0 | 111.7 | K268 K269 Y274 L275 N276 | K268-E272 WeakPolarHBondContact O-CG 3.37Å; K268-E272 PolarHBondContact O-N 2.85Å; K269-E272 PolarHBondContact O-N 3.48Å; E272-Y274 VanDerWaalsContact C-N 3.29Å; E272-Y274 PolarHBondContact O-N 3.26Å; E272-L275 PolarHBondContact O-N 2.81Å; E272-N276 WeakPolarHBondContact O-CB 3.22Å; E272-N276 VanDerWaalsContact O-CG 3.24Å; E272-N276 PolarHBondContact O-N 3.46Å; E272-N276 PolarHBondContact O-ND2 3.38Å |
| 273 | V | 89.9 | Confident | 87.3 | Confident | 80 Ų | 80 | 66 Ų | 66 | 49% | 0.485 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.2 | -37.5 | 176.9 | 167.9 | 0 | 0 | 0 | 0 | 111.5 | K269 E271 A277 | K269-V273 WeakPolarHBondContact O-CB 3.3Å; K269-V273 VanDerWaalsContact O-CG2 3.22Å; K269-V273 WeakPolarHBondContact O-CG2 3.47Å; K269-V273 PolarHBondContact O-N 2.9Å; E271-V273 PolarHBondContact O-N 3.27Å; V273-A277 WeakPolarHBondContact O-CB 3.33Å; V273-A277 PolarHBondContact O-N 2.74Å |
| 274 | Y | 89.4 | Confident | 87.5 | Confident | 3 Ų | 3 | 70 Ų | 70 | 1% | 0.012 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -71 | -42.6 | 177.5 | 170.1 | -100.9 | 0 | 0 | 0 | 113.3 | P67 Q68 R71 H270 E271 E272 N276 A277 I278 H417 I422 | P67-Y274 HydrophobicContact CB-CD1 4.1Å; P67-Y274 HydrophobicContact CB-CG 3.96Å; P67-Y274 HydrophobicContact CG-CD1 4.4Å; P67-Y274 HydrophobicContact CG-CD2 4.04Å; P67-Y274 HydrophobicContact CG-CG 3.77Å; Q68-Y274 HydrophobicContact CG-CD2 4.48Å; Q68-Y274 HydrophobicContact CG-CE2 3.61Å; R71-Y274 PolarHBondContact NH1-OH 2.87Å; R71-Y274 VanDerWaalsContact NH2-CE1 3.34Å; H270-Y274 VanDerWaalsContact O-CB 3.25Å; H270-Y274 WeakPolarHBondContact O-CB 3.34Å; H270-Y274 PolarHBondContact O-N 2.86Å; E271-Y274 PolarHBondContact O-N 3.45Å; E272-Y274 VanDerWaalsContact C-N 3.29Å; E272-Y274 PolarHBondContact O-N 3.26Å; Y274-N276 VanDerWaalsContact C-N 3.33Å; Y274-N276 PolarHBondContact O-N 3.09Å; Y274-A277 WeakPolarHBondContact O-CB 3.32Å; Y274-A277 PolarHBondContact O-N 3.4Å; Y274-A277 VanDerWaalsContact O-N 3.16Å; Y274-I278 HydrophobicContact CD1-CD1 3.89Å; Y274-I278 HydrophobicContact CE1-CD1 3.23Å; Y274-I278 HydrophobicContact CE1-CG1 4.14Å; Y274-I278 HydrophobicContact CE2-CD1 4.23Å; Y274-I278 HydrophobicContact CE2-CG1 4.31Å; Y274-I278 VanDerWaalsContact CZ-CD1 3.49Å; Y274-I278 WeakPolarHBondContact O-CG1 3.38Å; Y274-I278 PolarHBondContact O-N 2.93Å; Y274-H417 HydrophobicContact CD2-CB 3.31Å; Y274-H417 AromaticContact CD2-CG 3.61Å; Y274-H417 HydrophobicContact CE2-CB 4.07Å; Y274-H417 HydrophobicContact CG-CB 4.13Å; Y274-I422 HydrophobicContact CD2-CD1 3.63Å; Y274-I422 HydrophobicContact CD2-CG1 4.31Å; Y274-I422 HydrophobicContact CE2-CD1 3.42Å; Y274-I422 VanDerWaalsContact CE2-CD1 3.42Å; Y274-I422 HydrophobicContact CE2-CG1 3.57Å |
| 275 | L | 88.4 | Confident | 87.8 | Confident | 78 Ų | 78 | 66.3 Ų | 66.3 | 41% | 0.408 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.4 | -43.5 | 175 | -68.7 | 173.8 | 0 | 0 | 0 | 111.3 | E271 E272 A277 I278 D279 | E271-L275 HydrophobicContact CG-CD1 4.39Å; E271-L275 WeakPolarHBondContact O-CG 3.49Å; E271-L275 PolarHBondContact O-N 2.83Å; E272-L275 PolarHBondContact O-N 2.81Å; L275-A277 VanDerWaalsContact C-N 3.28Å; L275-A277 PolarHBondContact O-N 2.94Å; L275-I278 HydrophobicContact CD2-CD1 4.33Å; L275-I278 WeakPolarHBondContact O-CB 3.39Å; L275-I278 PolarHBondContact O-N 3.42Å; L275-D279 PolarHBondContact O-N 3.11Å |
| 276 | N | 90.9 | Very high | 87.8 | Confident | 110 Ų | 110 | 67.4 Ų | 67.4 | 59% | 0.588 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -62.3 | -36.2 | 174.9 | -69.1 | -23.5 | 0 | 0 | 0 | 112.3 | E272 Y274 A280 | E272-N276 WeakPolarHBondContact O-CB 3.22Å; E272-N276 VanDerWaalsContact O-CG 3.24Å; E272-N276 PolarHBondContact O-N 3.46Å; E272-N276 PolarHBondContact O-ND2 3.38Å; Y274-N276 VanDerWaalsContact C-N 3.33Å; Y274-N276 PolarHBondContact O-N 3.09Å; N276-A280 WeakPolarHBondContact O-CB 3.27Å; N276-A280 PolarHBondContact O-N 2.58Å |
| 277 | A | 89.6 | Confident | 87.8 | Confident | 17 Ų | 17 | 68.8 Ų | 68.8 | 14% | 0.14 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -69.2 | -37.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V273 Y274 L275 A280 I281 H417 I422 | V273-A277 WeakPolarHBondContact O-CB 3.33Å; V273-A277 PolarHBondContact O-N 2.74Å; Y274-A277 WeakPolarHBondContact O-CB 3.32Å; Y274-A277 PolarHBondContact O-N 3.4Å; Y274-A277 VanDerWaalsContact O-N 3.16Å; L275-A277 VanDerWaalsContact C-N 3.28Å; L275-A277 PolarHBondContact O-N 2.94Å; A277-A280 PolarHBondContact O-N 2.74Å; A277-I281 WeakPolarHBondContact O-CB 3.31Å; A277-I281 WeakPolarHBondContact O-CD1 3.35Å; A277-I281 WeakPolarHBondContact O-CG1 3.42Å; A277-I281 PolarHBondContact O-N 2.64Å; A277-H417 VanDerWaalsContact CB-CE1 3.43Å; A277-H417 WeakPolarHBondContact CB-CE1 3.4Å; A277-H417 WeakPolarHBondContact CB-NE2 3.36Å; A277-I422 HydrophobicContact CB-CD1 4.38Å |
| 278 | I | 88.6 | Confident | 87.7 | Confident | 23 Ų | 23 | 73.9 Ų | 73.9 | 12% | 0.118 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -56.2 | -52.7 | 172.5 | -71 | 163.8 | 0 | 0 | 0 | 110.1 | Y274 L275 A280 I281 L282 I422 M426 | Y274-I278 HydrophobicContact CD1-CD1 3.89Å; Y274-I278 HydrophobicContact CE1-CD1 3.23Å; Y274-I278 HydrophobicContact CE1-CG1 4.14Å; Y274-I278 HydrophobicContact CE2-CD1 4.23Å; Y274-I278 HydrophobicContact CE2-CG1 4.31Å; Y274-I278 VanDerWaalsContact CZ-CD1 3.49Å; Y274-I278 WeakPolarHBondContact O-CG1 3.38Å; Y274-I278 PolarHBondContact O-N 2.93Å; L275-I278 HydrophobicContact CD2-CD1 4.33Å; L275-I278 WeakPolarHBondContact O-CB 3.39Å; L275-I278 PolarHBondContact O-N 3.42Å; I278-A280 VanDerWaalsContact C-N 3.31Å; I278-A280 PolarHBondContact O-N 2.79Å; I278-I281 PolarHBondContact O-N 2.81Å; I278-L282 VanDerWaalsContact O-CB 3.25Å; I278-L282 WeakPolarHBondContact O-CB 3.33Å; I278-L282 PolarHBondContact O-N 3.48Å; I278-I422 HydrophobicContact CB-CG2 4.43Å; I278-I422 HydrophobicContact CG1-CD1 4.48Å; I278-I422 HydrophobicContact CG1-CG2 3.89Å; I278-M426 HydrophobicContact CG2-CE 4.17Å; I278-M426 HydrophobicContact CG2-CG 4.5Å; I278-M426 HydrophobicContact CG2-SD 3.71Å |
| 279 | D | 88.8 | Confident | 87.5 | Confident | 93 Ų | 93 | 70.6 Ų | 70.6 | 50% | 0.497 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.6 | -38.2 | -178 | -72.9 | -19 | 0 | 0 | 0 | 112.1 | L275 K283 | L275-D279 PolarHBondContact O-N 3.11Å; D279-K283 VanDerWaalsContact O-CG 3.3Å; D279-K283 WeakPolarHBondContact O-CG 3.28Å; D279-K283 PolarHBondContact O-N 3.21Å; D279-K283 VanDerWaalsContact O-N 3.14Å |
| 280 | A | 90.2 | Very high | 87.2 | Confident | 46 Ų | 46 | 67 Ų | 67 | 38% | 0.38 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.1 | -45.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N276 A277 I278 K283 Q284 | N276-A280 WeakPolarHBondContact O-CB 3.27Å; N276-A280 PolarHBondContact O-N 2.58Å; A277-A280 PolarHBondContact O-N 2.74Å; I278-A280 VanDerWaalsContact C-N 3.31Å; I278-A280 PolarHBondContact O-N 2.79Å; A280-K283 PolarHBondContact O-N 2.94Å; A280-Q284 WeakPolarHBondContact O-CG 3.44Å; A280-Q284 PolarHBondContact O-N 3.32Å |
| 281 | I | 88.4 | Confident | 86.9 | Confident | 9 Ų | 9 | 69.8 Ų | 69.8 | 5% | 0.046 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -68.2 | -41.4 | 179.7 | -70.3 | 162.8 | 0 | 0 | 0 | 110.7 | A277 I278 K283 Q284 I285 V419 I422 K423 | A277-I281 WeakPolarHBondContact O-CB 3.31Å; A277-I281 WeakPolarHBondContact O-CD1 3.35Å; A277-I281 WeakPolarHBondContact O-CG1 3.42Å; A277-I281 PolarHBondContact O-N 2.64Å; I278-I281 PolarHBondContact O-N 2.81Å; I281-K283 VanDerWaalsContact C-N 3.3Å; I281-K283 PolarHBondContact O-N 3.49Å; I281-Q284 WeakPolarHBondContact O-CB 3.41Å; I281-Q284 PolarHBondContact O-N 3.38Å; I281-Q284 VanDerWaalsContact O-N 3.14Å; I281-I285 HydrophobicContact CG2-CD1 3.67Å; I281-I285 HydrophobicContact CG2-CG1 4.27Å; I281-I285 WeakPolarHBondContact O-CG1 3.37Å; I281-I285 PolarHBondContact O-N 3.5Å; I281-V419 HydrophobicContact CD1-CB 4.39Å; I281-V419 HydrophobicContact CD1-CG1 3.76Å; I281-V419 HydrophobicContact CD1-CG2 4.48Å; I281-V419 HydrophobicContact CG1-CG1 4.45Å; I281-I422 HydrophobicContact CB-CG2 4.19Å; I281-I422 HydrophobicContact CD1-CB 3.82Å; I281-I422 HydrophobicContact CD1-CD1 4.06Å; I281-I422 HydrophobicContact CD1-CG2 3.6Å; I281-I422 HydrophobicContact CG2-CG2 4.15Å; I281-K423 HydrophobicContact CG2-CB 4.4Å; I281-K423 HydrophobicContact CG2-CG 3.56Å |
| 282 | L | 86.5 | Confident | 86.7 | Confident | 30 Ų | 30 | 71.6 Ų | 71.6 | 16% | 0.157 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.9 | -42.1 | 176.8 | -175.1 | 157.1 | 0 | 0 | 0 | 111.1 | I278 I285 R286 M426 | I278-L282 VanDerWaalsContact O-CB 3.25Å; I278-L282 WeakPolarHBondContact O-CB 3.33Å; I278-L282 PolarHBondContact O-N 3.48Å; L282-I285 PolarHBondContact O-N 3.26Å; L282-R286 HydrophobicContact CD2-CG 4.37Å; L282-R286 WeakPolarHBondContact O-CG 3.49Å; L282-R286 PolarHBondContact O-N 2.86Å; L282-M426 HydrophobicContact CB-CG 4.41Å; L282-M426 HydrophobicContact CB-SD 4.31Å; L282-M426 HydrophobicContact CD1-SD 3.89Å |
| 283 | K | 88.4 | Confident | 86.3 | Confident | 129 Ų | 129 | 67.6 Ų | 67.6 | 56% | 0.561 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -61.9 | -45.6 | 172.8 | -73 | 172.2 | -175.8 | 176.2 | 0 | 112.1 | D279 A280 I281 I285 R286 E287 | D279-K283 VanDerWaalsContact O-CG 3.3Å; D279-K283 WeakPolarHBondContact O-CG 3.28Å; D279-K283 PolarHBondContact O-N 3.21Å; D279-K283 VanDerWaalsContact O-N 3.14Å; A280-K283 PolarHBondContact O-N 2.94Å; I281-K283 VanDerWaalsContact C-N 3.3Å; I281-K283 PolarHBondContact O-N 3.49Å; K283-I285 PolarHBondContact O-N 3.39Å; K283-R286 PolarHBondContact O-N 2.78Å; K283-E287 WeakPolarHBondContact O-CG 3.16Å; K283-E287 PolarHBondContact O-N 3.26Å |
| 284 | Q | 87.4 | Confident | 85.9 | Confident | 101 Ų | 101 | 64.4 Ų | 64.4 | 47% | 0.472 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.5 | -43.3 | 178.1 | -73.2 | 175.4 | -4.2 | 0 | 0 | 112.6 | A280 I281 E287 L288 | A280-Q284 WeakPolarHBondContact O-CG 3.44Å; A280-Q284 PolarHBondContact O-N 3.32Å; I281-Q284 WeakPolarHBondContact O-CB 3.41Å; I281-Q284 PolarHBondContact O-N 3.38Å; I281-Q284 VanDerWaalsContact O-N 3.14Å; Q284-E287 PolarHBondContact O-N 2.82Å; Q284-L288 WeakPolarHBondContact O-CB 3.38Å; Q284-L288 PolarHBondContact O-N 2.95Å |
| 285 | I | 86.4 | Confident | 85.5 | Confident | 5 Ų | 5 | 70 Ų | 70 | 3% | 0.026 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.7 | -42.5 | 178 | -67.9 | 168.6 | 0 | 0 | 0 | 110.4 | I281 L282 K283 E287 E289 W290 M293 K423 M426 R427 V430 | I281-I285 HydrophobicContact CG2-CD1 3.67Å; I281-I285 HydrophobicContact CG2-CG1 4.27Å; I281-I285 WeakPolarHBondContact O-CG1 3.37Å; I281-I285 PolarHBondContact O-N 3.5Å; L282-I285 PolarHBondContact O-N 3.26Å; K283-I285 PolarHBondContact O-N 3.39Å; I285-E287 VanDerWaalsContact C-N 3.33Å; I285-E287 PolarHBondContact O-N 2.79Å; I285-E289 HydrophobicContact CG2-CB 4.11Å; I285-E289 WeakPolarHBondContact O-CA 3.49Å; I285-E289 WeakPolarHBondContact O-CB 3.18Å; I285-E289 PolarHBondContact O-N 2.98Å; I285-W290 PolarHBondContact O-N 3.19Å; I285-W290 VanDerWaalsContact O-N 3.14Å; I285-M293 HydrophobicContact CG2-CE 4.05Å; I285-K423 HydrophobicContact CD1-CB 4.48Å; I285-K423 HydrophobicContact CD1-CG 4.5Å; I285-M426 HydrophobicContact CD1-CB 3.69Å; I285-R427 HydrophobicContact CD1-CG 4.16Å; I285-R427 HydrophobicContact CG2-CG 4.42Å; I285-V430 HydrophobicContact CG2-CB 4.01Å; I285-V430 HydrophobicContact CG2-CG1 4.1Å; I285-V430 HydrophobicContact CG2-CG2 3.89Å |
| 286 | R | 84.7 | Confident | 85.3 | Confident | 105 Ų | 105 | 69.8 Ų | 69.8 | 40% | 0.396 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.7 | -33.3 | 176.3 | -76.9 | -174.4 | 177.8 | 165.2 | 1.8 | 113.4 | L282 K283 W290 V430 E433 | L282-R286 HydrophobicContact CD2-CG 4.37Å; L282-R286 WeakPolarHBondContact O-CG 3.49Å; L282-R286 PolarHBondContact O-N 2.86Å; K283-R286 PolarHBondContact O-N 2.78Å; R286-W290 HydrophobicContact CG-CE3 4.37Å; R286-W290 WeakPolarHBondContact O-CB 3.45Å; R286-V430 HydrophobicContact CG-CG1 4.28Å; R286-V430 HydrophobicContact CG-CG2 4.11Å; R286-E433 IonicContact CZ-OE2 3.88Å; R286-E433 IonicContact NE-OE2 2.99Å; R286-E433 PolarHBondContact NE-OE2 3.48Å; R286-E433 IonicContact NH2-OE1 3.46Å; R286-E433 PolarHBondContact NH2-OE1 2.85Å; R286-E433 IonicContact NH2-OE2 2.78Å; R286-E433 PolarHBondContact NH2-OE2 2.79Å |
| 287 | E | 85.9 | Confident | 84.7 | Confident | 146 Ų | 146 | 65.4 Ų | 65.4 | 68% | 0.682 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -79.9 | -41.3 | 179.6 | -73.2 | 172.6 | -172.1 | 0 | 0 | 112.5 | K283 Q284 I285 | K283-E287 WeakPolarHBondContact O-CG 3.16Å; K283-E287 PolarHBondContact O-N 3.26Å; Q284-E287 PolarHBondContact O-N 2.82Å; I285-E287 VanDerWaalsContact C-N 3.33Å; I285-E287 PolarHBondContact O-N 2.79Å |
| 288 | L | 83.4 | Confident | 84.3 | Confident | 128 Ų | 128 | 66.6 Ų | 66.6 | 67% | 0.67 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -97.2 | -48.9 | -171.7 | -63.2 | 172.5 | 0 | 0 | 0 | 113 | Q284 | Q284-L288 WeakPolarHBondContact O-CB 3.38Å; Q284-L288 PolarHBondContact O-N 2.95Å |
| 289 | E | 82.1 | Confident | 83.9 | Confident | 53 Ų | 53 | 69.5 Ų | 69.5 | 25% | 0.248 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -20.2 | -169 | -59.1 | -175.6 | 171.3 | 0 | 0 | 112.3 | I285 N291 D292 M293 R427 | I285-E289 HydrophobicContact CG2-CB 4.11Å; I285-E289 WeakPolarHBondContact O-CA 3.49Å; I285-E289 WeakPolarHBondContact O-CB 3.18Å; I285-E289 PolarHBondContact O-N 2.98Å; E289-N291 PolarHBondContact O-N 3.02Å; E289-D292 PolarHBondContact O-N 2.92Å; E289-M293 HydrophobicContact CB-CE 3.89Å; E289-M293 WeakPolarHBondContact O-CB 3.34Å; E289-M293 VanDerWaalsContact O-CG 3.32Å; E289-M293 WeakPolarHBondContact O-CG 3.46Å; E289-M293 PolarHBondContact O-N 3.29Å; E289-R427 IonicContact OE1-CZ 3.11Å; E289-R427 IonicContact OE1-NE 2.67Å; E289-R427 PolarHBondContact OE1-NE 2.8Å; E289-R427 IonicContact OE1-NH2 3.63Å; E289-R427 PolarHBondContact OE1-NH2 3.23Å; E289-R427 WeakPolarHBondContact OE2-CG 3.3Å; E289-R427 IonicContact OE2-CZ 3.76Å; E289-R427 IonicContact OE2-NE 3.87Å; E289-R427 PolarHBondContact OE2-NE 2.88Å; E289-R427 IonicContact OE2-NH2 2.72Å |
| 290 | W | 81.5 | Confident | 83.4 | Confident | 51 Ų | 51 | 69.1 Ų | 69.1 | 19% | 0.193 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -52.7 | -53.7 | -176.7 | -179.6 | -85.5 | 0 | 0 | 0 | 113.6 | I285 R286 D292 M293 A294 V430 E433 V434 Q437 | I285-W290 PolarHBondContact O-N 3.19Å; I285-W290 VanDerWaalsContact O-N 3.14Å; R286-W290 HydrophobicContact CG-CE3 4.37Å; R286-W290 WeakPolarHBondContact O-CB 3.45Å; W290-D292 VanDerWaalsContact C-N 3.29Å; W290-D292 PolarHBondContact O-N 2.71Å; W290-M293 PolarHBondContact O-N 3.45Å; W290-A294 VanDerWaalsContact O-CB 3.3Å; W290-A294 WeakPolarHBondContact O-CB 3.25Å; W290-A294 PolarHBondContact O-N 2.97Å; W290-V430 HydrophobicContact CE3-CG1 3.59Å; W290-V430 HydrophobicContact CZ3-CG1 3.87Å; W290-E433 HydrophobicContact CH2-CB 4.03Å; W290-E433 HydrophobicContact CZ3-CB 3.95Å; W290-V434 HydrophobicContact CD2-CG2 3.52Å; W290-V434 HydrophobicContact CE3-CG2 3.32Å; W290-V434 HydrophobicContact CG-CG2 4.25Å; W290-V434 HydrophobicContact CH2-CB 4.29Å; W290-V434 HydrophobicContact CH2-CG2 3.63Å; W290-V434 HydrophobicContact CZ2-CB 4.46Å; W290-V434 HydrophobicContact CZ2-CG2 3.81Å; W290-V434 HydrophobicContact CZ3-CB 4.42Å; W290-V434 HydrophobicContact CZ3-CG2 3.39Å; W290-Q437 VanDerWaalsContact CZ2-OE1 3.3Å |
| 291 | N | 80.1 | Confident | 82.8 | Confident | 94 Ų | 94 | 67 Ų | 67 | 50% | 0.503 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.8 | -33.6 | -176.3 | -70.1 | -40.4 | 0 | 0 | 0 | 112.1 | E289 K295 | E289-N291 PolarHBondContact O-N 3.02Å; N291-K295 WeakPolarHBondContact O-CB 3.25Å; N291-K295 WeakPolarHBondContact O-CD 3.35Å; N291-K295 WeakPolarHBondContact O-CG 3.5Å; N291-K295 PolarHBondContact O-N 3.49Å |
| 292 | D | 81.7 | Confident | 82.3 | Confident | 94 Ų | 94 | 70.6 Ų | 70.6 | 50% | 0.503 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -77.6 | -39.4 | -178.3 | -69.9 | -16.3 | 0 | 0 | 0 | 111.4 | E289 W290 K295 T296 | E289-D292 PolarHBondContact O-N 2.92Å; W290-D292 VanDerWaalsContact C-N 3.29Å; W290-D292 PolarHBondContact O-N 2.71Å; D292-K295 PolarHBondContact O-N 3.04Å; D292-K295 IonicContact OD1-NZ 3.13Å; D292-T296 WeakPolarHBondContact O-CB 3.45Å; D292-T296 PolarHBondContact O-N 3.33Å; D292-T296 PolarHBondContact O-OG1 3Å |
| 293 | M | 79.3 | Confident | 82 | Confident | 24 Ų | 24 | 74.9 Ų | 74.9 | 12% | 0.118 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.9 | -46.5 | 170.1 | -69.8 | -173.3 | -67 | 0 | 0 | 111.1 | I285 E289 W290 K295 T296 M297 V430 E431 V434 | I285-M293 HydrophobicContact CG2-CE 4.05Å; E289-M293 HydrophobicContact CB-CE 3.89Å; E289-M293 WeakPolarHBondContact O-CB 3.34Å; E289-M293 VanDerWaalsContact O-CG 3.32Å; E289-M293 WeakPolarHBondContact O-CG 3.46Å; E289-M293 PolarHBondContact O-N 3.29Å; W290-M293 PolarHBondContact O-N 3.45Å; M293-K295 PolarHBondContact O-N 3.08Å; M293-T296 PolarHBondContact O-N 3.49Å; M293-M297 WeakPolarHBondContact O-CB 3.48Å; M293-M297 WeakPolarHBondContact O-CG 3.39Å; M293-M297 PolarHBondContact O-N 3.39Å; M293-V430 HydrophobicContact CE-CB 4.15Å; M293-V430 HydrophobicContact CE-CG1 3.49Å; M293-V430 VanDerWaalsContact CE-CG1 3.49Å; M293-E431 HydrophobicContact SD-CG 3.53Å; M293-E431 VanDerWaalsContact SD-CG 3.53Å; M293-V434 HydrophobicContact CB-CG1 4.48Å; M293-V434 HydrophobicContact CE-CG2 4.4Å |
| 294 | A | 81.3 | Confident | 81.5 | Confident | 13 Ų | 13 | 70.5 Ų | 70.5 | 11% | 0.107 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.5 | -43.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | W290 K298 V434 V438 | W290-A294 VanDerWaalsContact O-CB 3.3Å; W290-A294 WeakPolarHBondContact O-CB 3.25Å; W290-A294 PolarHBondContact O-N 2.97Å; A294-K298 WeakPolarHBondContact O-CB 3.43Å; A294-K298 WeakPolarHBondContact O-CG 3.23Å; A294-K298 PolarHBondContact O-N 3.39Å; A294-V434 HydrophobicContact CB-CG1 3.77Å; A294-V438 HydrophobicContact CB-CG2 4.05Å |
| 295 | K | 82.6 | Confident | 80.8 | Confident | 120 Ų | 120 | 65.9 Ų | 65.9 | 52% | 0.522 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 175.9 | -75.5 | 168.4 | -169.5 | 166.7 | 0 | 112.1 | N291 D292 M293 K298 N299 | N291-K295 WeakPolarHBondContact O-CB 3.25Å; N291-K295 WeakPolarHBondContact O-CD 3.35Å; N291-K295 WeakPolarHBondContact O-CG 3.5Å; N291-K295 PolarHBondContact O-N 3.49Å; D292-K295 PolarHBondContact O-N 3.04Å; D292-K295 IonicContact OD1-NZ 3.13Å; M293-K295 PolarHBondContact O-N 3.08Å; K295-K298 PolarHBondContact O-N 2.86Å; K295-N299 WeakPolarHBondContact O-CB 3.36Å; K295-N299 PolarHBondContact O-N 3.47Å; K295-N299 PolarHBondContact O-ND2 2.9Å |
| 296 | T | 83.3 | Confident | 80.3 | Confident | 75 Ų | 75 | 71.5 Ų | 71.5 | 46% | 0.46 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.5 | -46.3 | -178.6 | -56.7 | 0 | 0 | 0 | 0 | 110.5 | D292 M293 N299 Q300 | D292-T296 WeakPolarHBondContact O-CB 3.45Å; D292-T296 PolarHBondContact O-N 3.33Å; D292-T296 PolarHBondContact O-OG1 3Å; M293-T296 PolarHBondContact O-N 3.49Å; T296-N299 PolarHBondContact O-N 3.48Å; T296-Q300 WeakPolarHBondContact O-CG 3.49Å; T296-Q300 PolarHBondContact O-N 2.94Å |
| 297 | M | 78.4 | Confident | 79.8 | Confident | 17 Ų | 17 | 72 Ų | 72 | 8% | 0.084 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.3 | -46.2 | 174.9 | -70 | -173.5 | -173.8 | 0 | 0 | 111.8 | M293 N299 Q300 I301 F330 E431 V434 R435 V438 | M293-M297 WeakPolarHBondContact O-CB 3.48Å; M293-M297 WeakPolarHBondContact O-CG 3.39Å; M293-M297 PolarHBondContact O-N 3.39Å; M297-N299 VanDerWaalsContact C-N 3.33Å; M297-N299 PolarHBondContact O-N 3.32Å; M297-Q300 PolarHBondContact O-N 3.09Å; M297-I301 VanDerWaalsContact O-CG1 3.27Å; M297-I301 WeakPolarHBondContact O-CG1 3.37Å; M297-I301 PolarHBondContact O-N 3.13Å; M297-F330 HydrophobicContact CB-CZ 4.32Å; M297-F330 HydrophobicContact CG-CZ 4.35Å; M297-E431 HydrophobicContact CE-CB 3.8Å; M297-E431 HydrophobicContact CE-CG 3.87Å; M297-V434 HydrophobicContact SD-CG1 4.02Å; M297-R435 HydrophobicContact SD-CB 4.25Å; M297-V438 HydrophobicContact CB-CG1 4.23Å |
| 298 | K | 80.4 | Confident | 78.8 | Confident | 43 Ų | 43 | 65.7 Ų | 65.7 | 19% | 0.187 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.9 | -44.5 | 174.9 | -76.7 | -177.3 | 180 | -165 | 0 | 112.2 | A294 K295 I301 R302 V438 E441 M442 | A294-K298 WeakPolarHBondContact O-CB 3.43Å; A294-K298 WeakPolarHBondContact O-CG 3.23Å; A294-K298 PolarHBondContact O-N 3.39Å; K295-K298 PolarHBondContact O-N 2.86Å; K298-I301 PolarHBondContact O-N 3.49Å; K298-R302 WeakPolarHBondContact O-CB 3.44Å; K298-R302 WeakPolarHBondContact O-CG 3.18Å; K298-R302 PolarHBondContact O-N 2.91Å; K298-V438 HydrophobicContact CG-CG1 3.72Å; K298-V438 HydrophobicContact CG-CG2 4.26Å; K298-E441 WeakPolarHBondContact CE-OE2 3.38Å; K298-E441 IonicContact NZ-OE2 4Å; K298-E441 PolarHBondContact NZ-OE2 2.96Å; K298-M442 HydrophobicContact CB-SD 4.11Å; K298-M442 HydrophobicContact CD-SD 4.49Å; K298-M442 HydrophobicContact CG-CG 4.49Å; K298-M442 HydrophobicContact CG-SD 3.81Å |
| 299 | N | 81.3 | Confident | 78.1 | Confident | 84 Ų | 84 | 63.9 Ų | 63.9 | 45% | 0.449 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.2 | -40.8 | -179.9 | -72.8 | -18 | 0 | 0 | 0 | 111.8 | K295 T296 M297 R302 Q303 | K295-N299 WeakPolarHBondContact O-CB 3.36Å; K295-N299 PolarHBondContact O-N 3.47Å; K295-N299 PolarHBondContact O-ND2 2.9Å; T296-N299 PolarHBondContact O-N 3.48Å; M297-N299 VanDerWaalsContact C-N 3.33Å; M297-N299 PolarHBondContact O-N 3.32Å; N299-R302 PolarHBondContact O-N 2.82Å; N299-Q303 WeakPolarHBondContact O-CB 3.39Å; N299-Q303 WeakPolarHBondContact O-CG 3.35Å; N299-Q303 PolarHBondContact O-N 3.24Å |
| 300 | Q | 78.4 | Confident | 77.5 | Confident | 85 Ų | 85 | 67.9 Ų | 67.9 | 40% | 0.397 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.8 | -42.1 | 175.7 | -71.6 | 169.9 | -35.2 | 0 | 0 | 111.8 | T296 M297 Q303 W304 F330 | T296-Q300 WeakPolarHBondContact O-CG 3.49Å; T296-Q300 PolarHBondContact O-N 2.94Å; M297-Q300 PolarHBondContact O-N 3.09Å; Q300-Q303 PolarHBondContact O-N 3.08Å; Q300-W304 PolarHBondContact O-N 3.3Å; Q300-F330 HydrophobicContact CB-CE1 3.65Å; Q300-F330 HydrophobicContact CB-CZ 4.18Å; Q300-F330 HydrophobicContact CG-CE1 4.29Å |
| 301 | I | 77.4 | Confident | 76.6 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66.5 | -40.2 | 176.3 | -63.8 | 164.1 | 0 | 0 | 0 | 110.9 | M297 K298 W304 F305 Y318 F330 V438 M442 | M297-I301 VanDerWaalsContact O-CG1 3.27Å; M297-I301 WeakPolarHBondContact O-CG1 3.37Å; M297-I301 PolarHBondContact O-N 3.13Å; K298-I301 PolarHBondContact O-N 3.49Å; I301-W304 WeakPolarHBondContact O-CB 3.43Å; I301-W304 PolarHBondContact O-N 3.32Å; I301-F305 HydrophobicContact CG2-CD2 4.32Å; I301-F305 HydrophobicContact CG2-CE1 4.18Å; I301-F305 HydrophobicContact CG2-CE2 3.76Å; I301-F305 HydrophobicContact CG2-CZ 3.64Å; I301-F305 WeakPolarHBondContact O-CG 3.34Å; I301-F305 PolarHBondContact O-N 2.82Å; I301-Y318 HydrophobicContact CG2-CE2 4.09Å; I301-F330 HydrophobicContact CD1-CE2 4.43Å; I301-F330 HydrophobicContact CD1-CZ 4.35Å; I301-F330 HydrophobicContact CG1-CE2 4.38Å; I301-F330 HydrophobicContact CG1-CZ 3.99Å; I301-V438 HydrophobicContact CD1-CG1 3.72Å; I301-M442 HydrophobicContact CB-CE 4.47Å; I301-M442 HydrophobicContact CB-CG 4.37Å; I301-M442 HydrophobicContact CD1-CG 4.02Å; I301-M442 HydrophobicContact CG2-CB 4.27Å; I301-M442 HydrophobicContact CG2-CE 3.97Å; I301-M442 HydrophobicContact CG2-CG 4.01Å |
| 302 | R | 78.6 | Confident | 75.6 | Confident | 86 Ų | 86 | 70 Ų | 70 | 33% | 0.325 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 174.4 | -73.7 | 170.3 | -179.2 | 175.8 | -0.7 | 111.9 | K298 N299 W304 F305 Y306 M442 E445 | K298-R302 WeakPolarHBondContact O-CB 3.44Å; K298-R302 WeakPolarHBondContact O-CG 3.18Å; K298-R302 PolarHBondContact O-N 2.91Å; N299-R302 PolarHBondContact O-N 2.82Å; R302-W304 VanDerWaalsContact C-N 3.32Å; R302-W304 PolarHBondContact O-N 2.98Å; R302-F305 PolarHBondContact O-N 3.29Å; R302-Y306 HydrophobicContact CB-CE2 4.27Å; R302-Y306 WeakPolarHBondContact O-CD2 3.25Å; R302-Y306 PolarHBondContact O-N 3.42Å; R302-M442 HydrophobicContact CG-CE 3.68Å; R302-E445 IonicContact CZ-OE1 2.77Å; R302-E445 IonicContact CZ-OE2 3.9Å; R302-E445 IonicContact NE-OE2 2.72Å; R302-E445 PolarHBondContact NE-OE2 3.36Å; R302-E445 VanDerWaalsContact NE-OE2 3.07Å; R302-E445 VanDerWaalsContact NH2-CD 3.29Å; R302-E445 IonicContact NH2-OE1 3.61Å; R302-E445 PolarHBondContact NH2-OE1 3.17Å; R302-E445 IonicContact NH2-OE2 2.59Å; R302-E445 PolarHBondContact NH2-OE2 2.68Å |
| 303 | Q | 79.3 | Confident | 74.5 | Confident | 120 Ų | 120 | 68.1 Ų | 68.1 | 56% | 0.561 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -58.8 | -45.7 | 174.2 | -80.1 | 176.7 | -24.1 | 0 | 0 | 111 | N299 Q300 F305 Y306 E307 | N299-Q303 WeakPolarHBondContact O-CB 3.39Å; N299-Q303 WeakPolarHBondContact O-CG 3.35Å; N299-Q303 PolarHBondContact O-N 3.24Å; Q300-Q303 PolarHBondContact O-N 3.08Å; Q303-F305 PolarHBondContact O-N 3.39Å; Q303-Y306 PolarHBondContact O-N 3.36Å; Q303-Y306 VanDerWaalsContact O-N 3.17Å; Q303-E307 WeakPolarHBondContact O-CG 3.3Å; Q303-E307 PolarHBondContact O-N 2.77Å |
| 304 | W | 77.1 | Confident | 73.5 | Confident | 37 Ų | 37 | 72.2 Ų | 72.2 | 14% | 0.14 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -58.9 | -44.7 | 174.7 | -176.8 | 81.7 | 0 | 0 | 0 | 112.5 | Q300 I301 R302 Y306 E307 C308 P316 I329 L338 | Q300-W304 PolarHBondContact O-N 3.3Å; I301-W304 WeakPolarHBondContact O-CB 3.43Å; I301-W304 PolarHBondContact O-N 3.32Å; R302-W304 VanDerWaalsContact C-N 3.32Å; R302-W304 PolarHBondContact O-N 2.98Å; W304-Y306 VanDerWaalsContact C-N 3.31Å; W304-Y306 PolarHBondContact O-N 3.08Å; W304-E307 PolarHBondContact O-N 3.21Å; W304-C308 WeakPolarHBondContact O-CB 3.36Å; W304-C308 PolarHBondContact O-N 3.22Å; W304-C308 PolarHBondContact O-SG 3.46Å; W304-C308 VanDerWaalsContact O-SG 3.35Å; W304-P316 HydrophobicContact CH2-CB 3.81Å; W304-P316 HydrophobicContact CH2-CG 4Å; W304-P316 HydrophobicContact CZ3-CB 4.07Å; W304-P316 HydrophobicContact CZ3-CG 4.11Å; W304-I329 HydrophobicContact CB-CG2 4.03Å; W304-I329 HydrophobicContact CD2-CD1 4.44Å; W304-I329 HydrophobicContact CD2-CG2 3.83Å; W304-I329 HydrophobicContact CE3-CD1 4.09Å; W304-I329 HydrophobicContact CE3-CG2 4.41Å; W304-I329 HydrophobicContact CG-CG2 3.62Å; W304-I329 HydrophobicContact CZ3-CD1 4.13Å; W304-L338 HydrophobicContact CZ2-CD1 4.44Å |
| 305 | F | 74.5 | Confident | 72.5 | Confident | 3 Ų | 3 | 72.1 Ų | 72.1 | 1% | 0.013 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -58.5 | -41.6 | 174.9 | -68.5 | -31.5 | 0 | 0 | 0 | 112.9 | I301 R302 Q303 R309 F315 Y318 M442 L446 | I301-F305 HydrophobicContact CG2-CD2 4.32Å; I301-F305 HydrophobicContact CG2-CE1 4.18Å; I301-F305 HydrophobicContact CG2-CE2 3.76Å; I301-F305 HydrophobicContact CG2-CZ 3.64Å; I301-F305 WeakPolarHBondContact O-CG 3.34Å; I301-F305 PolarHBondContact O-N 2.82Å; R302-F305 PolarHBondContact O-N 3.29Å; Q303-F305 PolarHBondContact O-N 3.39Å; F305-R309 VanDerWaalsContact O-CB 3.3Å; F305-R309 WeakPolarHBondContact O-CB 3.14Å; F305-R309 PolarHBondContact O-N 3.45Å; F305-F315 HydrophobicContact CB-CD1 4.31Å; F305-F315 HydrophobicContact CB-CE1 4.29Å; F305-Y318 HydrophobicContact CE1-CD2 4.08Å; F305-Y318 HydrophobicContact CE1-CE2 4.43Å; F305-Y318 AromaticContact CZ-CD2 3.81Å; F305-Y318 HydrophobicContact CZ-CD2 3.81Å; F305-Y318 HydrophobicContact CZ-CE2 4Å; F305-M442 HydrophobicContact CD2-CE 4.07Å; F305-M442 HydrophobicContact CE2-CE 3.45Å; F305-M442 VanDerWaalsContact CE2-CE 3.45Å; F305-M442 HydrophobicContact CZ-CE 4.4Å; F305-L446 HydrophobicContact CD1-CD1 3.96Å; F305-L446 HydrophobicContact CE1-CD1 3.29Å; F305-L446 HydrophobicContact CE2-CB 4.36Å; F305-L446 HydrophobicContact CE2-CD1 3.98Å; F305-L446 HydrophobicContact CZ-CB 4.25Å; F305-L446 HydrophobicContact CZ-CD1 3.32Å; F305-L446 HydrophobicContact CZ-CG 4.4Å |
| 306 | Y | 75.3 | Confident | 71.5 | Confident | 123 Ų | 123 | 67.8 Ų | 67.8 | 48% | 0.482 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -69.7 | -41.7 | 178.5 | -67 | -52.4 | 0 | 0 | 0 | 112.2 | R302 Q303 W304 R309 N310 | R302-Y306 HydrophobicContact CB-CE2 4.27Å; R302-Y306 WeakPolarHBondContact O-CD2 3.25Å; R302-Y306 PolarHBondContact O-N 3.42Å; Q303-Y306 PolarHBondContact O-N 3.36Å; Q303-Y306 VanDerWaalsContact O-N 3.17Å; W304-Y306 VanDerWaalsContact C-N 3.31Å; W304-Y306 PolarHBondContact O-N 3.08Å; Y306-R309 PolarHBondContact O-N 3.44Å; Y306-N310 WeakPolarHBondContact O-CB 3.15Å; Y306-N310 PolarHBondContact O-N 2.9Å; Y306-N310 PolarHBondContact O-ND2 2.95Å; Y306-N310 PolarHBondContact O-OD1 3.29Å |
| 307 | E | 73.2 | Confident | 70.4 | Confident | 117 Ų | 117 | 70.5 Ų | 70.5 | 55% | 0.547 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.2 | -47.5 | 175.9 | -74.9 | 179 | -179.7 | 0 | 0 | 111.3 | Q303 W304 R309 N310 T311 | Q303-E307 WeakPolarHBondContact O-CG 3.3Å; Q303-E307 PolarHBondContact O-N 2.77Å; W304-E307 PolarHBondContact O-N 3.21Å; E307-R309 PolarHBondContact O-N 2.99Å; E307-N310 PolarHBondContact O-N 3.02Å; E307-T311 PolarHBondContact O-N 3.45Å; E307-T311 VanDerWaalsContact O-N 3.16Å; E307-T311 PolarHBondContact O-OG1 3.36Å |
| 308 | C | 66.7 | Low | 69.7 | Low | 12 Ų | 12 | 70.7 Ų | 70.7 | 8% | 0.081 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -57.2 | -49.6 | 174.3 | -72 | 0 | 0 | 0 | 0 | 111.1 | W304 N310 T311 T312 P316 | W304-C308 WeakPolarHBondContact O-CB 3.36Å; W304-C308 PolarHBondContact O-N 3.22Å; W304-C308 PolarHBondContact O-SG 3.46Å; W304-C308 VanDerWaalsContact O-SG 3.35Å; C308-N310 VanDerWaalsContact C-N 3.32Å; C308-N310 PolarHBondContact O-N 3.46Å; C308-T311 WeakPolarHBondContact CA-OG1 3.31Å; C308-T311 PolarHBondContact O-N 3.48Å; C308-T311 PolarHBondContact O-OG1 3.07Å; C308-T312 PolarHBondContact O-N 2.96Å; C308-T312 PolarHBondContact O-OG1 2.9Å; C308-P316 HydrophobicContact CB-CG 3.39Å |
| 309 | R | 67.3 | Low | 68.8 | Low | 90 Ų | 90 | 69.8 Ų | 69.8 | 34% | 0.34 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59.5 | -40.8 | 178.2 | -178.5 | 178.4 | 178.5 | -174.6 | 0.3 | 112.8 | F305 Y306 E307 T311 G313 | F305-R309 VanDerWaalsContact O-CB 3.3Å; F305-R309 WeakPolarHBondContact O-CB 3.14Å; F305-R309 PolarHBondContact O-N 3.45Å; Y306-R309 PolarHBondContact O-N 3.44Å; E307-R309 PolarHBondContact O-N 2.99Å; R309-T311 PolarHBondContact O-N 3.47Å; R309-G313 VanDerWaalsContact O-CA 3.31Å; R309-G313 WeakPolarHBondContact O-CA 3.38Å; R309-G313 PolarHBondContact O-N 3.1Å |
| 310 | N | 69.4 | Low | 67.6 | Low | 137 Ų | 137 | 69.2 Ų | 69.2 | 73% | 0.733 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -63.6 | -28.2 | 178.5 | -70.2 | -20 | 0 | 0 | 0 | 111.8 | Y306 E307 C308 | Y306-N310 WeakPolarHBondContact O-CB 3.15Å; Y306-N310 PolarHBondContact O-N 2.9Å; Y306-N310 PolarHBondContact O-ND2 2.95Å; Y306-N310 PolarHBondContact O-OD1 3.29Å; E307-N310 PolarHBondContact O-N 3.02Å; C308-N310 VanDerWaalsContact C-N 3.32Å; C308-N310 PolarHBondContact O-N 3.46Å |
| 311 | T | 63.7 | Low | 66.5 | Low | 103 Ų | 103 | 70 Ų | 70 | 63% | 0.632 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -89 | -39.9 | 175.9 | 40.3 | 0 | 0 | 0 | 0 | 115.3 | E307 C308 R309 | E307-T311 PolarHBondContact O-N 3.45Å; E307-T311 VanDerWaalsContact O-N 3.16Å; E307-T311 PolarHBondContact O-OG1 3.36Å; C308-T311 WeakPolarHBondContact CA-OG1 3.31Å; C308-T311 PolarHBondContact O-N 3.48Å; C308-T311 PolarHBondContact O-OG1 3.07Å; R309-T311 PolarHBondContact O-N 3.47Å |
| 312 | T | 58 | Low | 65.3 | Low | 88 Ų | 88 | 79.4 Ų | 79.4 | 54% | 0.54 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -108.1 | -13.6 | -171.9 | 48.4 | 0 | 0 | 0 | 0 | 114.6 | C308 L314 | C308-T312 PolarHBondContact O-N 2.96Å; C308-T312 PolarHBondContact O-OG1 2.9Å; T312-L314 PolarHBondContact O-N 3.16Å; T312-L314 PolarHBondContact OG1-O 2.98Å |
| 313 | G | 59.1 | Low | 63.9 | Low | 53 Ų | 53 | 80.6 Ų | 80.6 | 55% | 0.546 | 42% | 0.422 | S | S | . | . | S | Bend | trans | 78 | -5.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | R309 | R309-G313 VanDerWaalsContact O-CA 3.31Å; R309-G313 WeakPolarHBondContact O-CA 3.38Å; R309-G313 PolarHBondContact O-N 3.1Å |
| 314 | L | 58 | Low | 62.8 | Low | 110 Ų | 110 | 76.6 Ų | 76.6 | 58% | 0.576 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -132.2 | 153.1 | 179.7 | -75.4 | 161.4 | 0 | 0 | 0 | 110.7 | T312 | T312-L314 PolarHBondContact O-N 3.16Å; T312-L314 PolarHBondContact OG1-O 2.98Å |
| 315 | F | 60.2 | Low | 62 | Low | 11 Ų | 11 | 75 Ų | 75 | 5% | 0.048 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -74 | 127.7 | 174.6 | -76.8 | -75.7 | 0 | 0 | 0 | 111.5 | F305 L449 K450 V453 | F305-F315 HydrophobicContact CB-CD1 4.31Å; F305-F315 HydrophobicContact CB-CE1 4.29Å; F315-L449 HydrophobicContact CE2-CB 4.42Å; F315-L449 HydrophobicContact CZ-CB 4.45Å; F315-K450 HydrophobicContact CB-CG 4.14Å; F315-K450 WeakPolarHBondContact O-CE 3.49Å; F315-K450 PolarHBondContact O-NZ 3.44Å; F315-K450 VanDerWaalsContact O-NZ 3.12Å; F315-V453 HydrophobicContact CE2-CB 4.44Å; F315-V453 HydrophobicContact CE2-CG1 4.49Å |
| 316 | P | 61.9 | Low | 61.1 | Low | 29 Ų | 29 | 74.9 Ų | 74.9 | 19% | 0.188 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 162.4 | 176.4 | -22.5 | 32.4 | 0 | 0 | 0 | 113.2 | W304 C308 L446 K450 | W304-P316 HydrophobicContact CH2-CB 3.81Å; W304-P316 HydrophobicContact CH2-CG 4Å; W304-P316 HydrophobicContact CZ3-CB 4.07Å; W304-P316 HydrophobicContact CZ3-CG 4.11Å; C308-P316 HydrophobicContact CB-CG 3.39Å; P316-L446 WeakPolarHBondContact O-CD1 3.43Å; P316-K450 WeakPolarHBondContact O-CE 3.38Å; P316-K450 PolarHBondContact O-NZ 2.98Å; P316-K450 VanDerWaalsContact O-NZ 3.07Å |
| 317 | D | 60.8 | Low | 60.2 | Low | 133 Ų | 133 | 71 Ų | 71 | 71% | 0.711 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -83.1 | 140.6 | 165.9 | -81.5 | -26.2 | 0 | 0 | 0 | 110.5 | K450 | D317-K450 IonicContact OD1-NZ 3.72Å; D317-K450 PolarHBondContact OD1-NZ 3.49Å |
| 318 | Y | 63 | Low | 59.4 | Low | 21 Ų | 21 | 68.2 Ų | 68.2 | 8% | 0.082 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -74.7 | 132.7 | 179.8 | -156.6 | -97.4 | 0 | 0 | 0 | 110.6 | I301 F305 S326 I329 D439 M442 R443 | I301-Y318 HydrophobicContact CG2-CE2 4.09Å; F305-Y318 HydrophobicContact CE1-CD2 4.08Å; F305-Y318 HydrophobicContact CE1-CE2 4.43Å; F305-Y318 AromaticContact CZ-CD2 3.81Å; F305-Y318 HydrophobicContact CZ-CD2 3.81Å; F305-Y318 HydrophobicContact CZ-CE2 4Å; Y318-S326 WeakPolarHBondContact OH-CB 3.47Å; Y318-I329 HydrophobicContact CE2-CD1 4.11Å; Y318-D439 HydrophobicContact CE1-CB 3.95Å; Y318-D439 VanDerWaalsContact OH-CG 3.26Å; Y318-D439 PolarHBondContact OH-OD1 2.89Å; Y318-M442 HydrophobicContact CE2-CB 4.25Å; Y318-R443 HydrophobicContact CD1-CG 3.57Å; Y318-R443 HydrophobicContact CE1-CG 4.33Å; Y318-R443 HydrophobicContact CG-CG 3.72Å |
| 319 | P | 62.4 | Low | 59 | Low | 23 Ų | 23 | 68.9 Ų | 68.9 | 15% | 0.149 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 142.2 | 178.5 | -22.9 | 32.7 | 0 | 0 | 0 | 112.1 | ||
| 320 | T | 56.3 | Low | 58.4 | Low | 73 Ų | 73 | 67.7 Ų | 67.7 | 45% | 0.448 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 160.8 | -178.1 | 61.7 | 0 | 0 | 0 | 0 | 112 | E322 E323 G324 G325 | T320-E322 PolarHBondContact O-N 2.9Å; T320-E322 VanDerWaalsContact O-N 3.13Å; T320-E323 PolarHBondContact N-OE2 3.31Å; T320-E323 PolarHBondContact O-N 3.41Å; T320-E323 VanDerWaalsContact OG1-CD 3.31Å; T320-E323 PolarHBondContact OG1-OE2 3.42Å; T320-G324 PolarHBondContact O-N 2.96Å; T320-G325 PolarHBondContact O-N 2.55Å |
| 321 | V | 55.3 | Low | 57.5 | Low | 102 Ų | 102 | 64.2 Ų | 64.2 | 62% | 0.618 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -25.7 | 178.3 | -174.7 | 0 | 0 | 0 | 0 | 111.9 | ||
| 322 | E | 51.5 | Low | 56.6 | Low | 196 Ų | 196 | 68.5 Ų | 68.5 | 92% | 0.916 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -18.2 | 178.2 | -63.9 | -175.2 | 172.1 | 0 | 0 | 113.3 | T320 | T320-E322 PolarHBondContact O-N 2.9Å; T320-E322 VanDerWaalsContact O-N 3.13Å |
| 323 | E | 49.8 | Very low | 55.7 | Low | 111 Ų | 111 | 68.1 Ų | 68.1 | 52% | 0.519 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -10.2 | -179.7 | -70.5 | 162.8 | 155.1 | 0 | 0 | 112.9 | T320 I328 | T320-E323 PolarHBondContact N-OE2 3.31Å; T320-E323 PolarHBondContact O-N 3.41Å; T320-E323 VanDerWaalsContact OG1-CD 3.31Å; T320-E323 PolarHBondContact OG1-OE2 3.42Å; E323-I328 HydrophobicContact CB-CD1 4.41Å; E323-I328 WeakPolarHBondContact O-CD1 3.49Å |
| 324 | G | 55.4 | Low | 54.7 | Low | 36 Ų | 36 | 69.2 Ų | 69.2 | 37% | 0.371 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 107.6 | 8.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | T320 S326 A327 | T320-G324 PolarHBondContact O-N 2.96Å; G324-S326 PolarHBondContact O-N 3.38Å; G324-A327 WeakPolarHBondContact O-CB 3.45Å; G324-A327 PolarHBondContact O-N 3.1Å |
| 325 | G | 60.4 | Low | 53.9 | Low | 4 Ų | 4 | 66.8 Ų | 66.8 | 4% | 0.041 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | -133.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | T320 A327 | T320-G325 PolarHBondContact O-N 2.55Å; G325-A327 PolarHBondContact O-N 3.49Å |
| 326 | S | 55.2 | Low | 53.2 | Low | 1 Ų | 1 | 73.7 Ų | 73.7 | 1% | 0.007 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -9.1 | 177.2 | 54.3 | 0 | 0 | 0 | 0 | 115.2 | Y318 G324 I328 I329 F330 R435 D439 | Y318-S326 WeakPolarHBondContact OH-CB 3.47Å; G324-S326 PolarHBondContact O-N 3.38Å; S326-I328 PolarHBondContact O-N 3.47Å; S326-I329 WeakPolarHBondContact O-CA 3.49Å; S326-I329 WeakPolarHBondContact O-CB 3.44Å; S326-I329 PolarHBondContact O-N 2.94Å; S326-F330 WeakPolarHBondContact O-CD2 3.34Å; S326-F330 PolarHBondContact O-N 3.04Å; S326-R435 WeakPolarHBondContact OG-CD 3.33Å; S326-R435 WeakPolarHBondContact OG-CG 3.39Å; S326-D439 WeakPolarHBondContact CB-OD1 3.39Å; S326-D439 PolarHBondContact N-OD2 3.45Å; S326-D439 VanDerWaalsContact N-OD2 3.12Å; S326-D439 VanDerWaalsContact OG-CG 3.29Å; S326-D439 PolarHBondContact OG-OD1 3.3Å; S326-D439 PolarHBondContact OG-OD2 3.35Å |
| 327 | A | 56.5 | Low | 52.6 | Low | 42 Ų | 42 | 76.8 Ų | 76.8 | 35% | 0.347 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.5 | -28.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G324 G325 I329 A331 | G324-A327 WeakPolarHBondContact O-CB 3.45Å; G324-A327 PolarHBondContact O-N 3.1Å; G325-A327 PolarHBondContact O-N 3.49Å; A327-I329 VanDerWaalsContact C-N 3.35Å; A327-A331 VanDerWaalsContact O-CB 3.27Å; A327-A331 WeakPolarHBondContact O-CB 3.3Å; A327-A331 PolarHBondContact O-N 3.33Å; A327-A331 VanDerWaalsContact O-N 3.07Å |
| 328 | I | 57.2 | Low | 51.8 | Low | 57 Ų | 57 | 72.7 Ų | 72.7 | 29% | 0.292 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -71.3 | -32.3 | 172.2 | -66.5 | 171.9 | 0 | 0 | 0 | 111.3 | E323 S326 | E323-I328 HydrophobicContact CB-CD1 4.41Å; E323-I328 WeakPolarHBondContact O-CD1 3.49Å; S326-I328 PolarHBondContact O-N 3.47Å |
| 329 | I | 57.9 | Low | 51.1 | Low | 26 Ų | 26 | 75.8 Ų | 75.8 | 13% | 0.133 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -73.4 | -34.8 | -179.4 | -56.1 | 176.3 | 0 | 0 | 0 | 110.4 | W304 Y318 S326 A327 | W304-I329 HydrophobicContact CB-CG2 4.03Å; W304-I329 HydrophobicContact CD2-CD1 4.44Å; W304-I329 HydrophobicContact CD2-CG2 3.83Å; W304-I329 HydrophobicContact CE3-CD1 4.09Å; W304-I329 HydrophobicContact CE3-CG2 4.41Å; W304-I329 HydrophobicContact CG-CG2 3.62Å; W304-I329 HydrophobicContact CZ3-CD1 4.13Å; Y318-I329 HydrophobicContact CE2-CD1 4.11Å; S326-I329 WeakPolarHBondContact O-CA 3.49Å; S326-I329 WeakPolarHBondContact O-CB 3.44Å; S326-I329 PolarHBondContact O-N 2.94Å; A327-I329 VanDerWaalsContact C-N 3.35Å |
| 330 | F | 53.6 | Low | 50.5 | Low | 66 Ų | 66 | 80.9 Ų | 80.9 | 29% | 0.289 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -86.8 | -20.4 | 178.3 | -66.9 | -61.3 | 0 | 0 | 0 | 114.6 | M297 Q300 I301 S326 E332 | M297-F330 HydrophobicContact CB-CZ 4.32Å; M297-F330 HydrophobicContact CG-CZ 4.35Å; Q300-F330 HydrophobicContact CB-CE1 3.65Å; Q300-F330 HydrophobicContact CB-CZ 4.18Å; Q300-F330 HydrophobicContact CG-CE1 4.29Å; I301-F330 HydrophobicContact CD1-CE2 4.43Å; I301-F330 HydrophobicContact CD1-CZ 4.35Å; I301-F330 HydrophobicContact CG1-CE2 4.38Å; I301-F330 HydrophobicContact CG1-CZ 3.99Å; S326-F330 WeakPolarHBondContact O-CD2 3.34Å; S326-F330 PolarHBondContact O-N 3.04Å; F330-E332 VanDerWaalsContact C-N 3.27Å; F330-E332 PolarHBondContact O-N 3.18Å |
| 331 | A | 50.8 | Low | 50.1 | Low | 63 Ų | 63 | 81.6 Ų | 81.6 | 52% | 0.521 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -80.7 | 76.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | A327 K333 | A327-A331 VanDerWaalsContact O-CB 3.27Å; A327-A331 WeakPolarHBondContact O-CB 3.3Å; A327-A331 PolarHBondContact O-N 3.33Å; A327-A331 VanDerWaalsContact O-N 3.07Å; A331-K333 PolarHBondContact O-N 3.03Å |
| 332 | E | 45 | Very low | 49.8 | Very low | 193 Ų | 193 | 81.2 Ų | 81.2 | 90% | 0.902 | 43% | 0.427 | S | S | * | . | trans | -17.8 | 84.3 | -179.4 | -69.1 | -176.6 | 166.3 | 0 | 0 | 114.6 | F330 | F330-E332 VanDerWaalsContact C-N 3.27Å; F330-E332 PolarHBondContact O-N 3.18Å | ||
| 333 | K | 39 | Very low | 49.7 | Very low | 80 Ų | 80 | 74 Ų | 74 | 35% | 0.348 | 40% | 0.402 | S | S | . | . | trans | -109.6 | 121 | 164 | -81.3 | -175 | 170.2 | -173.4 | 0 | 106 | A331 E341 | A331-K333 PolarHBondContact O-N 3.03Å; K333-E341 IonicContact NZ-OE1 2.84Å; K333-E341 IonicContact NZ-OE2 3.19Å; K333-E341 PolarHBondContact NZ-OE2 3.32Å | ||
| 334 | T | 38.8 | Very low | 49.8 | Very low | 77 Ų | 77 | 73.7 Ų | 73.7 | 47% | 0.472 | 40% | 0.403 | S | S | . | . | trans | -58.8 | 146.2 | 177.4 | 46.7 | 0 | 0 | 0 | 0 | 110 | Q336 Q337 | T334-Q336 PolarHBondContact O-N 3.04Å; T334-Q337 PolarHBondContact O-N 2.83Å | ||
| 335 | P | 41.4 | Very low | 49.5 | Very low | 59 Ų | 59 | 78 Ų | 78 | 38% | 0.383 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -51.7 | -19.7 | 179.3 | -29 | 34.7 | 0 | 0 | 0 | 114.8 | V339 | P335-V339 WeakPolarHBondContact O-CG2 3.47Å |
| 336 | Q | 45.6 | Very low | 48.7 | Very low | 155 Ų | 155 | 84.6 Ų | 84.6 | 72% | 0.724 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -74.4 | -33 | 178.3 | -67.9 | 174.2 | -14.2 | 0 | 0 | 113.7 | T334 V339 E340 | T334-Q336 PolarHBondContact O-N 3.04Å; Q336-V339 PolarHBondContact O-N 2.74Å; Q336-E340 PolarHBondContact O-N 3.44Å |
| 337 | Q | 48 | Very low | 48.3 | Very low | 94 Ų | 94 | 91.2 Ų | 91.2 | 44% | 0.439 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -76.4 | -27.5 | 178.8 | -70.1 | 179.5 | -10.4 | 0 | 0 | 112.6 | T334 E340 E341 | T334-Q337 PolarHBondContact O-N 2.83Å; Q337-E340 PolarHBondContact O-N 3.05Å; Q337-E341 PolarHBondContact O-N 3.07Å |
| 338 | L | 45.2 | Very low | 47.6 | Very low | 47 Ų | 47 | 94.4 Ų | 94.4 | 25% | 0.246 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -70.1 | -35.5 | 173.4 | -88.7 | 150.3 | 0 | 0 | 0 | 112 | W304 E340 E341 I342 | W304-L338 HydrophobicContact CZ2-CD1 4.44Å; L338-E340 VanDerWaalsContact C-N 3.35Å; L338-E341 PolarHBondContact O-N 2.95Å; L338-I342 WeakPolarHBondContact O-CB 3.21Å; L338-I342 WeakPolarHBondContact O-CD1 3.18Å; L338-I342 WeakPolarHBondContact O-CG1 3.37Å; L338-I342 PolarHBondContact O-N 2.92Å |
| 339 | V | 48.5 | Very low | 46.9 | Very low | 87 Ų | 87 | 94.8 Ų | 94.8 | 53% | 0.527 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.4 | -37.1 | 173.9 | 175.5 | 0 | 0 | 0 | 0 | 111 | P335 Q336 A343 | P335-V339 WeakPolarHBondContact O-CG2 3.47Å; Q336-V339 PolarHBondContact O-N 2.74Å; V339-A343 VanDerWaalsContact O-CB 3.28Å; V339-A343 WeakPolarHBondContact O-CB 3.28Å; V339-A343 PolarHBondContact O-N 3.45Å |
| 340 | E | 48.8 | Very low | 46 | Very low | 129 Ų | 129 | 96.2 Ų | 96.2 | 60% | 0.603 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -69.3 | -39.6 | 174.1 | -74.1 | 180 | 163.6 | 0 | 0 | 112.5 | Q336 Q337 L338 A343 L344 | Q336-E340 PolarHBondContact O-N 3.44Å; Q337-E340 PolarHBondContact O-N 3.05Å; L338-E340 VanDerWaalsContact C-N 3.35Å; E340-A343 PolarHBondContact O-N 3.27Å; E340-L344 WeakPolarHBondContact O-CB 3.41Å; E340-L344 WeakPolarHBondContact O-CD1 3.49Å; E340-L344 WeakPolarHBondContact O-CG 3.24Å; E340-L344 PolarHBondContact O-N 3.21Å |
| 341 | E | 47.5 | Very low | 45.3 | Very low | 89 Ų | 89 | 96.6 Ų | 96.6 | 42% | 0.416 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.3 | -37.9 | 174.2 | -97.6 | 179.5 | 146.6 | 0 | 0 | 112.5 | K333 Q337 L338 L344 Q345 | K333-E341 IonicContact NZ-OE1 2.84Å; K333-E341 IonicContact NZ-OE2 3.19Å; K333-E341 PolarHBondContact NZ-OE2 3.32Å; Q337-E341 PolarHBondContact O-N 3.07Å; L338-E341 PolarHBondContact O-N 2.95Å; E341-L344 PolarHBondContact O-N 2.76Å; E341-Q345 WeakPolarHBondContact O-CB 3.18Å; E341-Q345 WeakPolarHBondContact O-CG 3.48Å; E341-Q345 PolarHBondContact O-N 3.02Å |
| 342 | I | 49.1 | Very low | 44.6 | Very low | 93 Ų | 93 | 100.9 Ų | 100.9 | 48% | 0.477 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.6 | -41.5 | 174.8 | -68.2 | 164.5 | 0 | 0 | 0 | 110.6 | L338 L344 Q345 E346 | L338-I342 WeakPolarHBondContact O-CB 3.21Å; L338-I342 WeakPolarHBondContact O-CD1 3.18Å; L338-I342 WeakPolarHBondContact O-CG1 3.37Å; L338-I342 PolarHBondContact O-N 2.92Å; I342-L344 VanDerWaalsContact C-N 3.34Å; I342-L344 PolarHBondContact O-N 3.24Å; I342-Q345 PolarHBondContact O-N 2.85Å; I342-E346 WeakPolarHBondContact O-CG 3.16Å; I342-E346 PolarHBondContact O-N 2.85Å |
| 343 | A | 49.3 | Very low | 44 | Very low | 46 Ų | 46 | 96.2 Ų | 96.2 | 38% | 0.38 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63 | -39.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | V339 E340 E346 E347 | V339-A343 VanDerWaalsContact O-CB 3.28Å; V339-A343 WeakPolarHBondContact O-CB 3.28Å; V339-A343 PolarHBondContact O-N 3.45Å; E340-A343 PolarHBondContact O-N 3.27Å; A343-E346 PolarHBondContact O-N 2.85Å; A343-E347 WeakPolarHBondContact O-CB 3.45Å; A343-E347 WeakPolarHBondContact O-CG 3.42Å; A343-E347 PolarHBondContact O-N 3.09Å |
| 344 | L | 52.5 | Low | 43.5 | Very low | 103 Ų | 103 | 101.7 Ų | 101.7 | 54% | 0.539 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -69.7 | -34.4 | 176 | -73.9 | 167 | 0 | 0 | 0 | 112.7 | E340 E341 I342 E347 E348 | E340-L344 WeakPolarHBondContact O-CB 3.41Å; E340-L344 WeakPolarHBondContact O-CD1 3.49Å; E340-L344 WeakPolarHBondContact O-CG 3.24Å; E340-L344 PolarHBondContact O-N 3.21Å; E341-L344 PolarHBondContact O-N 2.76Å; I342-L344 VanDerWaalsContact C-N 3.34Å; I342-L344 PolarHBondContact O-N 3.24Å; L344-E347 PolarHBondContact O-N 2.88Å; L344-E348 WeakPolarHBondContact O-CB 3.42Å; L344-E348 PolarHBondContact O-N 3.48Å |
| 345 | Q | 50.1 | Low | 43.1 | Very low | 128 Ų | 128 | 102.2 Ų | 102.2 | 60% | 0.598 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -71.5 | -36 | 173.4 | -76.5 | -172.1 | 1.1 | 0 | 0 | 112.5 | E341 I342 E348 A349 | E341-Q345 WeakPolarHBondContact O-CB 3.18Å; E341-Q345 WeakPolarHBondContact O-CG 3.48Å; E341-Q345 PolarHBondContact O-N 3.02Å; I342-Q345 PolarHBondContact O-N 2.85Å; Q345-E348 PolarHBondContact O-N 3.13Å; Q345-A349 WeakPolarHBondContact O-CB 3.25Å; Q345-A349 PolarHBondContact O-N 3.43Å |
| 346 | E | 43.9 | Very low | 42.4 | Very low | 141 Ų | 141 | 109.4 Ų | 109.4 | 66% | 0.659 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -66.1 | -37.9 | 171.6 | -75.1 | -170.7 | 158.4 | 0 | 0 | 111.7 | I342 A343 A349 A350 | I342-E346 WeakPolarHBondContact O-CG 3.16Å; I342-E346 PolarHBondContact O-N 2.85Å; A343-E346 PolarHBondContact O-N 2.85Å; E346-A349 PolarHBondContact O-N 2.92Å; E346-A350 VanDerWaalsContact O-CB 3.31Å; E346-A350 WeakPolarHBondContact O-CB 3.33Å; E346-A350 PolarHBondContact O-N 2.94Å |
| 347 | E | 45.3 | Very low | 41.5 | Very low | 140 Ų | 140 | 105.5 Ų | 105.5 | 65% | 0.654 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -70.1 | -36.1 | 173 | -75.7 | -162.4 | 159.1 | 0 | 0 | 113.3 | A343 L344 A350 S351 | A343-E347 WeakPolarHBondContact O-CB 3.45Å; A343-E347 WeakPolarHBondContact O-CG 3.42Å; A343-E347 PolarHBondContact O-N 3.09Å; L344-E347 PolarHBondContact O-N 2.88Å; E347-A350 PolarHBondContact O-N 3.42Å; E347-S351 WeakPolarHBondContact O-CB 3.37Å; E347-S351 PolarHBondContact O-N 2.64Å; E347-S351 PolarHBondContact O-OG 2.74Å |
| 348 | E | 43.3 | Very low | 40.5 | Very low | 110 Ų | 110 | 110.7 Ų | 110.7 | 51% | 0.514 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -68.8 | -36.4 | 173 | -91.4 | -144.4 | 179.7 | 0 | 0 | 112.9 | L344 Q345 S351 K352 | L344-E348 WeakPolarHBondContact O-CB 3.42Å; L344-E348 PolarHBondContact O-N 3.48Å; Q345-E348 PolarHBondContact O-N 3.13Å; E348-S351 WeakPolarHBondContact CA-OG 3.43Å; E348-S351 PolarHBondContact O-OG 2.88Å; E348-S351 VanDerWaalsContact O-OG 3.06Å; E348-K352 WeakPolarHBondContact O-CB 3.33Å; E348-K352 WeakPolarHBondContact O-CG 3.31Å; E348-K352 PolarHBondContact O-N 3.23Å; E348-K352 VanDerWaalsContact O-N 3.09Å; E348-K352 IonicContact OE2-NZ 3.6Å; E348-K352 PolarHBondContact OE2-NZ 2.92Å |
| 349 | A | 41.3 | Very low | 39.5 | Very low | 65 Ų | 65 | 115.7 Ų | 115.7 | 54% | 0.537 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -69.3 | -36.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q345 E346 S353 | Q345-A349 WeakPolarHBondContact O-CB 3.25Å; Q345-A349 PolarHBondContact O-N 3.43Å; E346-A349 PolarHBondContact O-N 2.92Å; A349-S353 PolarHBondContact O-N 3.33Å |
| 350 | A | 39.2 | Very low | 38.3 | Very low | 55 Ų | 55 | 118.8 Ų | 118.8 | 46% | 0.455 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -68 | -38.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E346 E347 S353 | E346-A350 VanDerWaalsContact O-CB 3.31Å; E346-A350 WeakPolarHBondContact O-CB 3.33Å; E346-A350 PolarHBondContact O-N 2.94Å; E347-A350 PolarHBondContact O-N 3.42Å; A350-S353 PolarHBondContact O-N 2.94Å; A350-S353 PolarHBondContact O-OG 3.22Å |
| 351 | S | 38.9 | Very low | 37.2 | Very low | 74 Ų | 74 | 121.9 Ų | 121.9 | 52% | 0.517 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -75.1 | -31 | 178.7 | 58.3 | 0 | 0 | 0 | 0 | 113.7 | E347 E348 S353 K354 | E347-S351 WeakPolarHBondContact O-CB 3.37Å; E347-S351 PolarHBondContact O-N 2.64Å; E347-S351 PolarHBondContact O-OG 2.74Å; E348-S351 WeakPolarHBondContact CA-OG 3.43Å; E348-S351 PolarHBondContact O-OG 2.88Å; E348-S351 VanDerWaalsContact O-OG 3.06Å; S351-S353 PolarHBondContact O-N 2.85Å; S351-K354 PolarHBondContact O-N 2.81Å |
| 352 | K | 36.5 | Very low | 36 | Very low | 154 Ų | 154 | 127.5 Ų | 127.5 | 67% | 0.67 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -70.6 | -14.3 | 171.4 | -77.9 | 166 | -178.4 | 146.7 | 0 | 113.7 | E348 | E348-K352 WeakPolarHBondContact O-CB 3.33Å; E348-K352 WeakPolarHBondContact O-CG 3.31Å; E348-K352 PolarHBondContact O-N 3.23Å; E348-K352 VanDerWaalsContact O-N 3.09Å; E348-K352 IonicContact OE2-NZ 3.6Å; E348-K352 PolarHBondContact OE2-NZ 2.92Å |
| 353 | S | 31.9 | Very low | 34.8 | Very low | 95 Ų | 95 | 127.3 Ų | 127.3 | 66% | 0.664 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -10 | 176.7 | 79.1 | 0 | 0 | 0 | 0 | 115 | A349 A350 S351 | A349-S353 PolarHBondContact O-N 3.33Å; A350-S353 PolarHBondContact O-N 2.94Å; A350-S353 PolarHBondContact O-OG 3.22Å; S351-S353 PolarHBondContact O-N 2.85Å |
| 354 | K | 29.7 | Very low | 33.6 | Very low | 194 Ų | 194 | 134.9 Ų | 134.9 | 84% | 0.843 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -108.2 | -2.9 | -179.3 | -87.7 | -178.1 | 178.5 | 172.5 | 0 | 116.1 | S351 | S351-K354 PolarHBondContact O-N 2.81Š|
| 355 | A | 29.6 | Very low | 32.2 | Very low | 88 Ų | 88 | 135.8 Ų | 135.8 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -108.9 | 60.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 356 | K | 27.4 | Very low | 30.9 | Very low | 210 Ų | 210 | 137.3 Ų | 137.3 | 91% | 0.913 | 72% | 0.721 | S | S | * | * | trans | -153.1 | 80.1 | 167.9 | -129.9 | 177.5 | -171.7 | 174.8 | 0 | 111.5 | ||||
| 357 | G | 25.9 | Very low | 30 | Very low | 73 Ų | 73 | 139.3 Ų | 139.3 | 75% | 0.753 | 73% | 0.727 | S | S | * | * | trans | 166.2 | 94.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 358 | K | 26.1 | Very low | 29 | Very low | 203 Ų | 203 | 139.6 Ų | 139.6 | 88% | 0.883 | 73% | 0.733 | S | S | * | * | trans | 129.8 | 132.3 | 161.3 | -84.7 | -179.9 | 169.7 | 176 | 0 | 110.9 | ||||
| 359 | D | 24.7 | Very low | 28.1 | Very low | 153 Ų | 153 | 144.5 Ų | 144.5 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | cis | -167.2 | 138.9 | -19.8 | -144.3 | -20.3 | 0 | 0 | 0 | 104.1 | ||||
| 360 | D | 24.2 | Very low | 27.3 | Very low | 151 Ų | 151 | 144.5 Ų | 144.5 | 81% | 0.807 | 76% | 0.76 | S | S | * | * | trans | -93.9 | 120.9 | 178.2 | -124.2 | -26 | 0 | 0 | 0 | 108.5 | ||||
| 361 | K | 24.9 | Very low | 26.6 | Very low | 194 Ų | 194 | 152.4 Ų | 152.4 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | trans | 146.1 | 113.2 | 146.9 | -86.6 | 169.8 | 176.7 | 170.2 | 0 | 113.2 | ||||
| 362 | K | 22.4 | Very low | 25.8 | Very low | 207 Ų | 207 | 152.2 Ų | 152.2 | 90% | 0.9 | 79% | 0.793 | S | S | * | * | 171 | 138.9 | 106.1 | -102.1 | 178.1 | 178 | 175.3 | 0 | 113.2 | |||||
| 363 | A | 24 | Very low | 25.3 | Very low | 89 Ų | 89 | 155.4 Ų | 155.4 | 74% | 0.736 | 81% | 0.807 | S | S | * | * | trans | 70.9 | 93.7 | 140.4 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 364 | K | 23.2 | Very low | 24.9 | Very low | 206 Ų | 206 | 154.5 Ų | 154.5 | 90% | 0.896 | 81% | 0.813 | S | S | * | * | 15.4 | 108.7 | 107.8 | -146 | -175.3 | -165.4 | -177.8 | 0 | 116.6 | |||||
| 365 | D | 23.6 | Very low | 25 | Very low | 121 Ų | 121 | 149.8 Ų | 149.8 | 65% | 0.647 | 81% | 0.81 | S | S | * | * | -169.4 | 134.5 | 120.4 | -130.4 | 3.8 | 0 | 0 | 0 | 114.1 | |||||
| 366 | K | 24.3 | Very low | 24.9 | Very low | 161 Ų | 161 | 154 Ų | 154 | 70% | 0.7 | 82% | 0.815 | S | S | * | * | trans | 60.8 | 126 | 143.3 | -82.1 | 170.1 | -166.9 | 134.5 | 0 | 126 | ||||
| 367 | K | 23.3 | Very low | 25.2 | Very low | 183 Ų | 183 | 151.6 Ų | 151.6 | 80% | 0.796 | 81% | 0.812 | S | S | * | * | 86 | 100.7 | 126.4 | -90.7 | -174.3 | 165.4 | -179.7 | 0 | 120.3 | |||||
| 368 | D | 24 | Very low | 25.5 | Very low | 146 Ų | 146 | 154.7 Ų | 154.7 | 78% | 0.781 | 81% | 0.811 | S | S | * | * | 47.8 | 104.7 | 100.4 | -156.4 | 15.9 | 0 | 0 | 0 | 117.4 | |||||
| 369 | K | 26.3 | Very low | 26.2 | Very low | 212 Ų | 212 | 151.3 Ų | 151.3 | 92% | 0.922 | 80% | 0.803 | S | S | * | * | trans | -156.5 | 115.7 | 140.9 | -111 | 178.6 | -176.4 | -179.5 | 0 | 109.5 | ||||
| 370 | G | 23.7 | Very low | 27.4 | Very low | 66 Ų | 66 | 153 Ų | 153 | 68% | 0.68 | 81% | 0.806 | S | S | * | * | trans | -83.9 | 178.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 371 | K | 24.3 | Very low | 29 | Very low | 221 Ų | 221 | 146.7 Ų | 146.7 | 96% | 0.961 | 78% | 0.777 | S | S | * | * | trans | 66.2 | 122.7 | 156.7 | -79.5 | -178.2 | 174.1 | 176.6 | 0 | 118.5 | ||||
| 372 | G | 22.7 | Very low | 31.1 | Very low | 70 Ų | 70 | 139.4 Ų | 139.4 | 72% | 0.722 | 75% | 0.747 | S | S | * | * | 149.2 | 93.2 | 129.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 373 | K | 24.9 | Very low | 33.6 | Very low | 220 Ų | 220 | 133.6 Ų | 133.6 | 96% | 0.957 | 73% | 0.729 | S | S | * | * | trans | 48.9 | 117.8 | 140 | -70.3 | -176.8 | 173.3 | -176.2 | 0 | 119.8 | ||||
| 374 | G | 24.9 | Very low | 36.1 | Very low | 76 Ų | 76 | 131.7 Ų | 131.7 | 78% | 0.784 | 71% | 0.705 | S | S | * | * | trans | -157.2 | 81.5 | 142.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | E376 | G374-E376 PolarHBondContact O-N 3.5Š| ||
| 375 | A | 31.2 | Very low | 38.6 | Very low | 96 Ų | 96 | 125 Ų | 125 | 79% | 0.793 | 68% | 0.678 | S | S | * | * | trans | -74.2 | 104.9 | 165.4 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 376 | E | 26.5 | Very low | 41.2 | Very low | 175 Ų | 175 | 125.3 Ų | 125.3 | 82% | 0.818 | 69% | 0.687 | S | S | * | * | trans | -89.8 | 108.7 | 155.1 | -78.8 | 179.4 | 156.1 | 0 | 0 | 105.8 | G374 D378 | G374-E376 PolarHBondContact O-N 3.5Å; E376-D378 PolarHBondContact O-N 3.44Å | ||
| 377 | D | 33.4 | Very low | 44 | Very low | 161 Ų | 161 | 119 Ų | 119 | 86% | 0.861 | 66% | 0.663 | S | S | * | * | trans | -63.9 | 83.6 | 165.5 | -85.4 | -36.6 | 0 | 0 | 0 | 107.7 | D379 | D377-D379 PolarHBondContact O-N 3.03Š| ||
| 378 | D | 33.8 | Very low | 46.9 | Very low | 137 Ų | 137 | 112.4 Ų | 112.4 | 73% | 0.733 | 64% | 0.642 | S | S | * | * | trans | -78.9 | 107.6 | 155.1 | -80.5 | -27.7 | 0 | 0 | 0 | 107 | E376 E380 | E376-D378 PolarHBondContact O-N 3.44Å; D378-E380 VanDerWaalsContact C-N 3.29Å; D378-E380 PolarHBondContact O-N 2.92Å | ||
| 379 | D | 40.9 | Very low | 49.9 | Very low | 132 Ų | 132 | 105.5 Ų | 105.5 | 71% | 0.706 | 61% | 0.605 | S | S | * | * | trans | -57.8 | 84.6 | 177.5 | -134.3 | -2.8 | 0 | 0 | 0 | 109.7 | D377 G381 | D377-D379 PolarHBondContact O-N 3.03Å; D379-G381 PolarHBondContact O-N 3.42Å | ||
| 380 | E | 49.8 | Very low | 52.7 | Low | 189 Ų | 189 | 96.4 Ų | 96.4 | 88% | 0.883 | 57% | 0.566 | S | S | * | * | trans | -62.1 | 93.6 | -180 | -75.8 | -176.6 | 167.8 | 0 | 0 | 110.3 | D378 | D378-E380 VanDerWaalsContact C-N 3.29Å; D378-E380 PolarHBondContact O-N 2.92Å | ||
| 381 | G | 57.7 | Low | 55.7 | Low | 19 Ų | 19 | 96.7 Ų | 96.7 | 20% | 0.196 | 56% | 0.558 | C | S | . | * | trans | -67.5 | 161.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D379 | D379-G381 PolarHBondContact O-N 3.42Š| ||
| 382 | L | 68.8 | Low | 58.7 | Low | 40 Ų | 40 | 90.2 Ų | 90.2 | 21% | 0.209 | 53% | 0.531 | C | S | . | . | B | Isolated β-bridge | trans | -77.1 | 127.2 | -175.9 | -70 | 128 | 0 | 0 | 0 | 111.7 | Q33 R36 F39 K94 | Q33-L382 PolarHBondContact N-O 3.28Å; Q33-L382 PolarHBondContact O-N 3.39Å; R36-L382 HydrophobicContact CB-CD1 4.44Å; R36-L382 HydrophobicContact CG-CD1 3.49Å; R36-L382 VanDerWaalsContact CG-CD1 3.49Å; F39-L382 HydrophobicContact CD1-CB 4.14Å; F39-L382 HydrophobicContact CD1-CD2 4.41Å; F39-L382 HydrophobicContact CD2-CB 4.01Å; F39-L382 HydrophobicContact CE1-CB 4.21Å; F39-L382 HydrophobicContact CE1-CD2 4.33Å; F39-L382 HydrophobicContact CE2-CB 4.11Å; F39-L382 HydrophobicContact CG-CB 4.03Å; F39-L382 HydrophobicContact CZ-CB 4.21Å; K94-L382 HydrophobicContact CD-CD2 4.01Å |
| 383 | T | 73.9 | Confident | 61.8 | Low | 86 Ų | 86 | 86.9 Ų | 86.9 | 53% | 0.528 | 50% | 0.497 | S | S | . | . | trans | -115.1 | 154.8 | 171.9 | 55.1 | 0 | 0 | 0 | 0 | 110.8 | P32 | P32-T383 HydrophobicContact CB-CG2 3.78Š| ||
| 384 | M | 76.9 | Confident | 64.9 | Low | 48 Ų | 48 | 79.9 Ų | 79.9 | 24% | 0.236 | 47% | 0.468 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 150.1 | 174.4 | -64.7 | -163.8 | -66.2 | 0 | 0 | 110.9 | E24 F39 L43 L46 E90 | E24-M384 HydrophobicContact CG-CE 4.48Å; F39-M384 HydrophobicContact CE2-CG 4.07Å; F39-M384 HydrophobicContact CZ-CG 4.29Å; L43-M384 HydrophobicContact CD2-CG 4.09Å; L43-M384 HydrophobicContact CD2-SD 3.88Å; L46-M384 HydrophobicContact CD1-SD 4.04Å; E90-M384 WeakPolarHBondContact OE1-CA 3.34Å |
| 385 | M | 75.8 | Confident | 68 | Low | 65 Ų | 65 | 79.7 Ų | 79.7 | 32% | 0.32 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 144.7 | 175.4 | -69.9 | -164.9 | -71.7 | 0 | 0 | 111.7 | Y89 E90 S387 | Y89-M385 HydrophobicContact CD1-CE 3.81Å; Y89-M385 HydrophobicContact CE1-CE 4.13Å; E90-M385 HydrophobicContact CB-CE 3.64Å; E90-M385 HydrophobicContact CG-CE 3.92Å; E90-M385 PolarHBondContact OE1-N 2.99Å; E90-M385 PolarHBondContact OE2-N 3.03Å; M385-S387 PolarHBondContact O-N 2.95Å |
| 386 | P | 78.9 | Confident | 70.7 | Confident | 129 Ų | 129 | 75.5 Ų | 75.5 | 84% | 0.838 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 135.3 | 172.6 | -22.8 | 33 | 0 | 0 | 0 | 111.4 | ||
| 387 | S | 83.4 | Confident | 73.7 | Confident | 29 Ų | 29 | 67.7 Ų | 67.7 | 20% | 0.203 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -96.6 | 140.7 | 178.4 | -177.8 | 0 | 0 | 0 | 0 | 111.7 | E86 M385 F389 L390 | E86-S387 WeakPolarHBondContact OE1-CA 3.35Å; E86-S387 PolarHBondContact OE1-OG 2.9Å; E86-S387 WeakPolarHBondContact OE2-CA 3.21Å; E86-S387 WeakPolarHBondContact OE2-CB 3.18Å; E86-S387 PolarHBondContact OE2-OG 3.35Å; M385-S387 PolarHBondContact O-N 2.95Å; S387-F389 PolarHBondContact OG-N 2.83Å; S387-F389 VanDerWaalsContact OG-N 3.12Å; S387-L390 VanDerWaalsContact CB-CG 3.49Å; S387-L390 PolarHBondContact OG-N 2.88Å |
| 388 | A | 83.2 | Confident | 76.4 | Confident | 43 Ų | 43 | 64.7 Ų | 64.7 | 36% | 0.355 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -84.6 | -14.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | E86 K557 | E86-A388 PolarHBondContact OE1-N 2.64Å; A388-K557 HydrophobicContact CB-CB 4.25Å |
| 389 | F | 86.8 | Confident | 78.9 | Confident | 2 Ų | 2 | 64.4 Ų | 64.4 | 1% | 0.009 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -105.4 | -16.2 | -171 | -62 | -82.4 | 0 | 0 | 0 | 114.1 | G82 E86 S387 S391 E392 L393 V554 K557 A558 | G82-F389 VanDerWaalsContact CA-CE2 3.42Å; E86-F389 HydrophobicContact CG-CD2 4.3Å; E86-F389 HydrophobicContact CG-CE2 4.39Å; E86-F389 VanDerWaalsContact OE1-CD2 3.3Å; E86-F389 WeakPolarHBondContact OE1-CD2 3.48Å; S387-F389 PolarHBondContact OG-N 2.83Å; S387-F389 VanDerWaalsContact OG-N 3.12Å; F389-S391 PolarHBondContact O-N 3.43Å; F389-E392 PolarHBondContact O-N 3.23Å; F389-L393 WeakPolarHBondContact O-CB 3.48Å; F389-L393 WeakPolarHBondContact O-CG 3.48Å; F389-L393 PolarHBondContact O-N 2.75Å; F389-V554 HydrophobicContact CE1-CG2 4.28Å; F389-V554 HydrophobicContact CZ-CG1 4.27Å; F389-K557 HydrophobicContact CE1-CB 3.89Å; F389-K557 HydrophobicContact CE1-CD 4.03Å; F389-K557 HydrophobicContact CE2-CB 4.03Å; F389-K557 HydrophobicContact CZ-CB 3.44Å; F389-K557 VanDerWaalsContact CZ-CB 3.44Å; F389-K557 HydrophobicContact CZ-CD 4.44Å; F389-A558 HydrophobicContact CE2-CB 4.21Å; F389-A558 HydrophobicContact CZ-CB 4.19Å |
| 390 | L | 85.8 | Confident | 81.2 | Confident | 20 Ų | 20 | 58.8 Ų | 58.8 | 11% | 0.105 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.3 | -40.2 | -176.5 | -74.7 | 176.6 | 0 | 0 | 0 | 113.6 | L21 E24 L25 S387 E392 L393 E394 | L21-L390 HydrophobicContact CD2-CD2 3.84Å; E24-L390 VanDerWaalsContact OE2-CD2 3.32Å; E24-L390 WeakPolarHBondContact OE2-CD2 3.15Å; L25-L390 HydrophobicContact CD2-CD1 4.42Å; S387-L390 VanDerWaalsContact CB-CG 3.49Å; S387-L390 PolarHBondContact OG-N 2.88Å; L390-E392 VanDerWaalsContact C-N 3.34Å; L390-E392 PolarHBondContact O-N 3.37Å; L390-L393 PolarHBondContact O-N 3.36Å; L390-E394 WeakPolarHBondContact O-CB 3.47Å; L390-E394 PolarHBondContact O-N 3.09Å |
| 391 | S | 86.3 | Confident | 83 | Confident | 72 Ų | 72 | 53.1 Ų | 53.1 | 50% | 0.503 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.4 | -39.5 | 177.9 | 53.6 | 0 | 0 | 0 | 0 | 112.2 | F389 E394 V395 | F389-S391 PolarHBondContact O-N 3.43Å; S391-E394 PolarHBondContact O-N 3.06Å; S391-V395 WeakPolarHBondContact O-CG2 3.47Å; S391-V395 PolarHBondContact O-N 3.23Å |
| 392 | E | 86.6 | Confident | 84.4 | Confident | 85 Ų | 85 | 59.2 Ų | 59.2 | 40% | 0.397 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -69.8 | -39.8 | 177.9 | -62.2 | -174.1 | 166.3 | 0 | 0 | 111.6 | F389 L390 E394 V395 A396 K557 | F389-E392 PolarHBondContact O-N 3.23Å; L390-E392 VanDerWaalsContact C-N 3.34Å; L390-E392 PolarHBondContact O-N 3.37Å; E392-E394 VanDerWaalsContact C-N 3.34Å; E392-V395 PolarHBondContact O-N 2.9Å; E392-A396 WeakPolarHBondContact O-CB 3.36Å; E392-A396 PolarHBondContact O-N 2.59Å; E392-K557 IonicContact OE1-NZ 2.93Å; E392-K557 PolarHBondContact OE1-NZ 3.48Å; E392-K557 IonicContact OE2-NZ 3.9Å; E392-K557 PolarHBondContact OE2-NZ 3.45Å |
| 393 | L | 88.9 | Confident | 85.1 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63 | -40.9 | 173.2 | -77 | 174.7 | 0 | 0 | 0 | 111.9 | L21 L76 V80 R83 F389 L390 A396 N397 | L21-L393 HydrophobicContact CD1-CB 4.48Å; L21-L393 HydrophobicContact CD2-CB 4.1Å; L76-L393 HydrophobicContact CD2-CD2 4.39Å; V80-L393 HydrophobicContact CG2-CD2 3.89Å; R83-L393 HydrophobicContact CB-CD1 4.36Å; F389-L393 WeakPolarHBondContact O-CB 3.48Å; F389-L393 WeakPolarHBondContact O-CG 3.48Å; F389-L393 PolarHBondContact O-N 2.75Å; L390-L393 PolarHBondContact O-N 3.36Å; L393-A396 PolarHBondContact O-N 3.47Å; L393-N397 VanDerWaalsContact O-CB 3.23Å; L393-N397 WeakPolarHBondContact O-CB 3.5Å; L393-N397 PolarHBondContact O-N 2.72Å |
| 394 | E | 89.2 | Confident | 85.6 | Confident | 72 Ų | 72 | 55.5 Ų | 55.5 | 34% | 0.336 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.6 | -46.1 | 177.4 | -168 | -170.6 | 164.6 | 0 | 0 | 111.5 | L390 S391 E392 A396 N397 K398 | L390-E394 WeakPolarHBondContact O-CB 3.47Å; L390-E394 PolarHBondContact O-N 3.09Å; S391-E394 PolarHBondContact O-N 3.06Å; E392-E394 VanDerWaalsContact C-N 3.34Å; E394-A396 VanDerWaalsContact C-N 3.35Å; E394-A396 PolarHBondContact O-N 3.27Å; E394-N397 PolarHBondContact O-N 2.81Å; E394-K398 WeakPolarHBondContact O-CG 2.96Å; E394-K398 PolarHBondContact O-N 2.83Å; E394-K398 VanDerWaalsContact OE1-CE 3.23Å; E394-K398 WeakPolarHBondContact OE1-CE 3.37Å; E394-K398 IonicContact OE1-NZ 2.6Å; E394-K398 PolarHBondContact OE1-NZ 2.84Å |
| 395 | V | 89.8 | Confident | 85.9 | Confident | 73 Ų | 73 | 58.6 Ų | 58.6 | 44% | 0.442 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 176.3 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | S391 E392 K398 R399 | S391-V395 WeakPolarHBondContact O-CG2 3.47Å; S391-V395 PolarHBondContact O-N 3.23Å; E392-V395 PolarHBondContact O-N 2.9Å; V395-K398 PolarHBondContact O-N 3.17Å; V395-R399 WeakPolarHBondContact O-CG 3.23Å; V395-R399 PolarHBondContact O-N 3.32Å; V395-R399 VanDerWaalsContact O-N 3.08Å |
| 396 | A | 88.6 | Confident | 86.1 | Confident | 7 Ų | 7 | 61.1 Ų | 61.1 | 6% | 0.058 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.9 | -36.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | L72 L76 E392 L393 E394 R399 Y400 | L72-A396 HydrophobicContact CD1-CB 4.35Å; L76-A396 HydrophobicContact CD2-CB 3.49Å; L76-A396 VanDerWaalsContact CD2-CB 3.49Å; L76-A396 HydrophobicContact CG-CB 3.96Å; E392-A396 WeakPolarHBondContact O-CB 3.36Å; E392-A396 PolarHBondContact O-N 2.59Å; L393-A396 PolarHBondContact O-N 3.47Å; E394-A396 VanDerWaalsContact C-N 3.35Å; E394-A396 PolarHBondContact O-N 3.27Å; A396-R399 PolarHBondContact O-N 2.97Å; A396-Y400 PolarHBondContact O-N 3.32Å; A396-Y400 VanDerWaalsContact O-N 3.13Å |
| 397 | N | 89.8 | Confident | 86 | Confident | 12 Ų | 12 | 58.8 Ų | 58.8 | 6% | 0.064 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.2 | -43.6 | 175.5 | -166.9 | 62.3 | 0 | 0 | 0 | 111.4 | M14 S18 L21 L393 E394 R399 Y400 E401 | M14-N397 HydrophobicContact CE-CB 4.43Å; M14-N397 WeakPolarHBondContact CE-OD1 3.22Å; S18-N397 PolarHBondContact OG-ND2 2.9Å; S18-N397 PolarHBondContact OG-OD1 2.8Å; L21-N397 HydrophobicContact CD1-CB 3.79Å; L393-N397 VanDerWaalsContact O-CB 3.23Å; L393-N397 WeakPolarHBondContact O-CB 3.5Å; L393-N397 PolarHBondContact O-N 2.72Å; E394-N397 PolarHBondContact O-N 2.81Å; N397-R399 VanDerWaalsContact C-N 3.35Å; N397-R399 PolarHBondContact O-N 3.02Å; N397-Y400 WeakPolarHBondContact O-CB 3.45Å; N397-Y400 PolarHBondContact O-N 3.12Å; N397-Y400 VanDerWaalsContact O-N 3.08Å; N397-E401 WeakPolarHBondContact O-CG 3.24Å; N397-E401 PolarHBondContact O-N 2.86Å |
| 398 | K | 89.6 | Confident | 85.3 | Confident | 97 Ų | 97 | 64 Ų | 64 | 42% | 0.422 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.5 | -44.4 | 174.2 | -74.2 | 175.4 | -176.3 | 168.3 | 0 | 112.1 | E394 V395 Y400 E401 E402 | E394-K398 WeakPolarHBondContact O-CG 2.96Å; E394-K398 PolarHBondContact O-N 2.83Å; E394-K398 VanDerWaalsContact OE1-CE 3.23Å; E394-K398 WeakPolarHBondContact OE1-CE 3.37Å; E394-K398 IonicContact OE1-NZ 2.6Å; E394-K398 PolarHBondContact OE1-NZ 2.84Å; V395-K398 PolarHBondContact O-N 3.17Å; K398-Y400 VanDerWaalsContact C-N 3.26Å; K398-Y400 PolarHBondContact O-N 2.76Å; K398-E401 PolarHBondContact O-N 3.31Å; K398-E401 VanDerWaalsContact O-N 3.09Å; K398-E402 WeakPolarHBondContact O-CB 3.29Å; K398-E402 WeakPolarHBondContact O-CG 3.19Å; K398-E402 PolarHBondContact O-N 3.4Å |
| 399 | R | 87.5 | Confident | 84.6 | Confident | 131 Ų | 131 | 63.5 Ų | 63.5 | 49% | 0.494 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.4 | -38.1 | 174.2 | -72 | 177.3 | -175 | -178.9 | 1.5 | 112.6 | L72 V395 A396 N397 V403 | L72-R399 HydrophobicContact CD1-CB 4.24Å; V395-R399 WeakPolarHBondContact O-CG 3.23Å; V395-R399 PolarHBondContact O-N 3.32Å; V395-R399 VanDerWaalsContact O-N 3.08Å; A396-R399 PolarHBondContact O-N 2.97Å; N397-R399 VanDerWaalsContact C-N 3.35Å; N397-R399 PolarHBondContact O-N 3.02Å; R399-V403 VanDerWaalsContact O-CB 3.28Å; R399-V403 WeakPolarHBondContact O-CB 3.41Å; R399-V403 WeakPolarHBondContact O-CG2 3.37Å; R399-V403 PolarHBondContact O-N 2.86Å; R399-V403 VanDerWaalsContact O-N 3.08Å |
| 400 | Y | 88.6 | Confident | 83.8 | Confident | 14 Ų | 14 | 66.5 Ų | 66.5 | 6% | 0.055 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.7 | -44.6 | 174.1 | 170.9 | -97.8 | 0 | 0 | 0 | 112 | W10 K11 M14 A396 N397 K398 W404 K405 | W10-Y400 HydrophobicContact CD2-CE2 4.12Å; W10-Y400 AromaticContact CE2-CD2 3.87Å; W10-Y400 AromaticContact CE2-CE2 3.75Å; W10-Y400 HydrophobicContact CE3-CE2 4.24Å; W10-Y400 AromaticContact CH2-CD2 3.78Å; W10-Y400 HydrophobicContact CH2-CD2 3.78Å; W10-Y400 AromaticContact CH2-CE2 3.79Å; W10-Y400 HydrophobicContact CH2-CE2 3.79Å; W10-Y400 AromaticContact CZ2-CD2 3.42Å; W10-Y400 HydrophobicContact CZ2-CD2 3.42Å; W10-Y400 VanDerWaalsContact CZ2-CD2 3.42Å; W10-Y400 AromaticContact CZ2-CE2 3.63Å; W10-Y400 HydrophobicContact CZ2-CE2 3.63Å; W10-Y400 HydrophobicContact CZ3-CD2 4.49Å; W10-Y400 HydrophobicContact CZ3-CE2 4.04Å; K11-Y400 WeakPolarHBondContact CG-OH 3.48Å; M14-Y400 HydrophobicContact CB-CD1 3.79Å; M14-Y400 HydrophobicContact CB-CE1 3.36Å; M14-Y400 HydrophobicContact CB-CE2 4.25Å; M14-Y400 HydrophobicContact CB-CG 4.38Å; M14-Y400 HydrophobicContact CE-CD1 3.65Å; M14-Y400 HydrophobicContact CE-CD2 4.37Å; M14-Y400 HydrophobicContact CE-CE1 4.4Å; M14-Y400 HydrophobicContact CE-CG 3.63Å; M14-Y400 HydrophobicContact CG-CD1 3.87Å; M14-Y400 HydrophobicContact CG-CD2 3.89Å; M14-Y400 HydrophobicContact CG-CE1 3.73Å; M14-Y400 HydrophobicContact CG-CE2 3.75Å; M14-Y400 HydrophobicContact CG-CG 3.94Å; M14-Y400 HydrophobicContact SD-CG 4.41Å; A396-Y400 PolarHBondContact O-N 3.32Å; A396-Y400 VanDerWaalsContact O-N 3.13Å; N397-Y400 WeakPolarHBondContact O-CB 3.45Å; N397-Y400 PolarHBondContact O-N 3.12Å; N397-Y400 VanDerWaalsContact O-N 3.08Å; K398-Y400 VanDerWaalsContact C-N 3.26Å; K398-Y400 PolarHBondContact O-N 2.76Å; Y400-W404 HydrophobicContact CD2-CB 3.68Å; Y400-W404 HydrophobicContact CD2-CG 4.46Å; Y400-W404 HydrophobicContact CE2-CB 3.85Å; Y400-W404 WeakPolarHBondContact O-CA 3.44Å; Y400-W404 PolarHBondContact O-N 2.83Å; Y400-K405 HydrophobicContact CE1-CB 4.19Å; Y400-K405 PolarHBondContact O-N 2.79Å |
| 401 | E | 87.3 | Confident | 82.9 | Confident | 70 Ų | 70 | 73.9 Ų | 73.9 | 33% | 0.327 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.5 | -41.2 | -179.9 | -68.4 | -160.1 | 122.1 | 0 | 0 | 113 | N397 K398 K405 | N397-E401 WeakPolarHBondContact O-CG 3.24Å; N397-E401 PolarHBondContact O-N 2.86Å; K398-E401 PolarHBondContact O-N 3.31Å; K398-E401 VanDerWaalsContact O-N 3.09Å; E401-K405 HydrophobicContact CB-CD 4.28Å; E401-K405 HydrophobicContact CG-CD 4.07Å; E401-K405 WeakPolarHBondContact O-CB 3.41Å; E401-K405 IonicContact OE1-NZ 3.62Å; E401-K405 PolarHBondContact OE1-NZ 3.44Å |
| 402 | E | 86.9 | Confident | 82.4 | Confident | 147 Ų | 147 | 72.1 Ų | 72.1 | 69% | 0.687 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -71.8 | -44.9 | 179.3 | -70.4 | 168.2 | -172.1 | 0 | 0 | 112.2 | K398 | K398-E402 WeakPolarHBondContact O-CB 3.29Å; K398-E402 WeakPolarHBondContact O-CG 3.19Å; K398-E402 PolarHBondContact O-N 3.4Å |
| 403 | V | 83.4 | Confident | 81.6 | Confident | 33 Ų | 33 | 75 Ų | 75 | 20% | 0.2 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -95.4 | -43.7 | -169.3 | -177.7 | 0 | 0 | 0 | 0 | 112.5 | R399 R407 L421 | R399-V403 VanDerWaalsContact O-CB 3.28Å; R399-V403 WeakPolarHBondContact O-CB 3.41Å; R399-V403 WeakPolarHBondContact O-CG2 3.37Å; R399-V403 PolarHBondContact O-N 2.86Å; R399-V403 VanDerWaalsContact O-N 3.08Å; V403-R407 WeakPolarHBondContact O-CD 3.49Å; V403-R407 WeakPolarHBondContact O-CG 3.36Å; V403-R407 PolarHBondContact O-NE 2.9Å; V403-L421 HydrophobicContact CG1-CD1 3.93Å; V403-L421 HydrophobicContact CG1-CD2 3.9Å |
| 404 | W | 84.4 | Confident | 80.8 | Confident | 16 Ų | 16 | 78.9 Ų | 78.9 | 6% | 0.061 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | -20.9 | -162 | -65.1 | 104.7 | 0 | 0 | 0 | 114.9 | W10 H66 Q68 K69 Y400 T406 E409 L421 | W10-W404 HydrophobicContact CH2-CB 3.68Å; W10-W404 AromaticContact CH2-CD1 3.96Å; W10-W404 AromaticContact CH2-CD2 3.92Å; W10-W404 HydrophobicContact CH2-CD2 3.92Å; W10-W404 HydrophobicContact CH2-CE3 4.48Å; W10-W404 AromaticContact CH2-CG 3.55Å; W10-W404 HydrophobicContact CH2-CG 3.55Å; W10-W404 HydrophobicContact CZ2-CG 4.48Å; W10-W404 HydrophobicContact CZ3-CB 4.13Å; W10-W404 HydrophobicContact CZ3-CD2 4.39Å; W10-W404 HydrophobicContact CZ3-CG 4.25Å; H66-W404 AromaticContact CE1-CH2 3.63Å; H66-W404 AromaticContact NE2-CH2 3.94Å; Q68-W404 HydrophobicContact CB-CZ2 4.06Å; K69-W404 HydrophobicContact CD-CE3 4.4Å; K69-W404 HydrophobicContact CD-CZ3 4.3Å; K69-W404 HydrophobicContact CG-CD2 4.2Å; K69-W404 HydrophobicContact CG-CE3 4.12Å; K69-W404 HydrophobicContact CG-CH2 3.86Å; K69-W404 HydrophobicContact CG-CZ2 3.91Å; K69-W404 HydrophobicContact CG-CZ3 3.96Å; Y400-W404 HydrophobicContact CD2-CB 3.68Å; Y400-W404 HydrophobicContact CD2-CG 4.46Å; Y400-W404 HydrophobicContact CE2-CB 3.85Å; Y400-W404 WeakPolarHBondContact O-CA 3.44Å; Y400-W404 PolarHBondContact O-N 2.83Å; W404-T406 PolarHBondContact O-N 3.4Å; W404-E409 VanDerWaalsContact CE3-OE1 3.31Å; W404-E409 WeakPolarHBondContact CZ3-OE1 3.39Å; W404-L421 HydrophobicContact CH2-CD1 4.11Å; W404-L421 HydrophobicContact CZ2-CD1 3.81Å |
| 405 | K | 82.9 | Confident | 80.2 | Confident | 112 Ų | 112 | 75.7 Ų | 75.7 | 49% | 0.487 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -65.2 | -41 | -175.5 | -176.1 | 174.2 | -177.1 | 175.3 | 0 | 113.3 | Y400 E401 | Y400-K405 HydrophobicContact CE1-CB 4.19Å; Y400-K405 PolarHBondContact O-N 2.79Å; E401-K405 HydrophobicContact CB-CD 4.28Å; E401-K405 HydrophobicContact CG-CD 4.07Å; E401-K405 WeakPolarHBondContact O-CB 3.41Å; E401-K405 IonicContact OE1-NZ 3.62Å; E401-K405 PolarHBondContact OE1-NZ 3.44Å |
| 406 | T | 80.1 | Confident | 79.6 | Confident | 119 Ų | 119 | 75.9 Ų | 75.9 | 73% | 0.73 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -101.1 | -9.6 | -175.2 | 53.4 | 0 | 0 | 0 | 0 | 113.7 | W404 | W404-T406 PolarHBondContact O-N 3.4Š|
| 407 | R | 76.5 | Confident | 79.3 | Confident | 80 Ų | 80 | 76.7 Ų | 76.7 | 30% | 0.302 | 37% | 0.374 | S | S | . | . | trans | -71.7 | 133 | -179.7 | -80.4 | -169.3 | -175.9 | 169.8 | 4.3 | 111.9 | V403 E418 L421 | V403-R407 WeakPolarHBondContact O-CD 3.49Å; V403-R407 WeakPolarHBondContact O-CG 3.36Å; V403-R407 PolarHBondContact O-NE 2.9Å; R407-E418 IonicContact CZ-OE2 3.59Å; R407-E418 IonicContact NH1-OE2 3.5Å; R407-E418 PolarHBondContact NH1-OE2 3.05Å; R407-L421 VanDerWaalsContact NH1-CD1 3.31Å; R407-L421 VanDerWaalsContact NH1-CG 3.33Å | ||
| 408 | N | 69.4 | Low | 78.9 | Confident | 137 Ų | 137 | 78.2 Ų | 78.2 | 73% | 0.733 | 38% | 0.381 | S | S | * | . | trans | -98.9 | 112.7 | 176.4 | -169.6 | 3 | 0 | 0 | 0 | 110 | S410 | N408-S410 WeakPolarHBondContact OD1-CB 3.5Å; N408-S410 PolarHBondContact OD1-N 2.9Å; N408-S410 PolarHBondContact OD1-OG 3.11Å | ||
| 409 | E | 69.4 | Low | 78.5 | Confident | 33 Ų | 33 | 76.6 Ų | 76.6 | 15% | 0.154 | 38% | 0.379 | C | S | . | . | trans | -101.7 | 25.1 | -179.7 | -77.8 | 171.9 | -137.2 | 0 | 0 | 113.1 | K69 W404 E411 N412 | K69-E409 WeakPolarHBondContact CE-OE1 3.44Å; K69-E409 WeakPolarHBondContact CE-OE2 3.48Å; K69-E409 IonicContact NZ-OE1 3.41Å; K69-E409 PolarHBondContact NZ-OE1 3.27Å; K69-E409 IonicContact NZ-OE2 3.02Å; K69-E409 PolarHBondContact NZ-OE2 2.79Å; W404-E409 VanDerWaalsContact CE3-OE1 3.31Å; W404-E409 WeakPolarHBondContact CZ3-OE1 3.39Å; E409-E411 PolarHBondContact O-N 3.19Å; E409-N412 HydrophobicContact CB-CB 4.49Å; E409-N412 PolarHBondContact O-N 3.45Å; E409-N412 VanDerWaalsContact O-N 3.09Å | ||
| 410 | S | 69 | Low | 78.2 | Confident | 66 Ų | 66 | 77 Ų | 77 | 46% | 0.462 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -21.8 | 180 | 50.7 | 0 | 0 | 0 | 0 | 113.9 | N408 F413 | N408-S410 WeakPolarHBondContact OD1-CB 3.5Å; N408-S410 PolarHBondContact OD1-N 2.9Å; N408-S410 PolarHBondContact OD1-OG 3.11Å; S410-F413 WeakPolarHBondContact O-CE2 3.34Å; S410-F413 WeakPolarHBondContact O-CZ 3.31Å |
| 411 | E | 67.1 | Low | 77.9 | Confident | 175 Ų | 175 | 77.1 Ų | 77.1 | 82% | 0.818 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | -16.6 | -179.4 | -60 | -173.9 | 172.1 | 0 | 0 | 113.9 | E409 F413 | E409-E411 PolarHBondContact O-N 3.19Å; E411-F413 VanDerWaalsContact C-N 3.3Å; E411-F413 PolarHBondContact O-N 3.4Å; E411-F413 VanDerWaalsContact O-N 3.08Å |
| 412 | N | 76.1 | Confident | 77.7 | Confident | 34 Ų | 34 | 73.8 Ų | 73.8 | 18% | 0.182 | 37% | 0.372 | C | S | . | . | trans | -89.7 | 57.6 | -177.2 | -166.7 | 2.4 | 0 | 0 | 0 | 112.4 | E409 T414 Q415 I416 | E409-N412 HydrophobicContact CB-CB 4.49Å; E409-N412 PolarHBondContact O-N 3.45Å; E409-N412 VanDerWaalsContact O-N 3.09Å; N412-T414 PolarHBondContact O-N 2.83Å; N412-Q415 PolarHBondContact O-N 3.02Å; N412-Q415 VanDerWaalsContact O-N 3.12Å; N412-Q415 WeakPolarHBondContact OD1-CA 3.43Å; N412-Q415 PolarHBondContact OD1-N 2.92Å; N412-I416 PolarHBondContact ND2-O 3.4Å; N412-I416 PolarHBondContact OD1-N 3.15Å | ||
| 413 | F | 69.6 | Low | 77.6 | Confident | 147 Ų | 147 | 70.3 Ų | 70.3 | 65% | 0.645 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -18.5 | 178.5 | -62.4 | -77 | 0 | 0 | 0 | 113.8 | Q3 S410 E411 | Q3-F413 PolarHBondContact NE2-O 3.04Å; Q3-F413 PolarHBondContact OE1-O 3.31Å; S410-F413 WeakPolarHBondContact O-CE2 3.34Å; S410-F413 WeakPolarHBondContact O-CZ 3.31Å; E411-F413 VanDerWaalsContact C-N 3.3Å; E411-F413 PolarHBondContact O-N 3.4Å; E411-F413 VanDerWaalsContact O-N 3.08Å |
| 414 | T | 71.1 | Confident | 77.5 | Confident | 82 Ų | 82 | 73.4 Ų | 73.4 | 50% | 0.503 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -10.6 | 177.7 | 42.8 | 0 | 0 | 0 | 0 | 112.5 | H270 N412 I416 | H270-T414 PolarHBondContact CE1-O 3.31Å; N412-T414 PolarHBondContact O-N 2.83Å; T414-I416 VanDerWaalsContact C-N 3.29Å; T414-I416 PolarHBondContact O-N 3.32Å; T414-I416 WeakPolarHBondContact OG1-CD1 3.39Å; T414-I416 WeakPolarHBondContact OG1-CG1 3.29Å |
| 415 | Q | 76.6 | Confident | 77.4 | Confident | 4 Ų | 4 | 77.4 Ų | 77.4 | 2% | 0.019 | 39% | 0.386 | C | S | . | . | trans | 53.7 | 45.8 | -174 | -63.2 | -170 | 9.2 | 0 | 0 | 112.4 | V65 H66 H270 N412 | V65-Q415 HydrophobicContact CB-CB 4.35Å; H66-Q415 HydrophobicContact CB-CB 4.01Å; H270-Q415 PolarHBondContact ND1-O 2.73Å; H270-Q415 VanDerWaalsContact ND1-O 3.09Å; N412-Q415 PolarHBondContact O-N 3.02Å; N412-Q415 VanDerWaalsContact O-N 3.12Å; N412-Q415 WeakPolarHBondContact OD1-CA 3.43Å; N412-Q415 PolarHBondContact OD1-N 2.92Å | ||
| 416 | I | 78.3 | Confident | 77.4 | Confident | 77 Ų | 77 | 72.8 Ų | 72.8 | 40% | 0.395 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -77.4 | 152.6 | 172.7 | -61.2 | 167.1 | 0 | 0 | 0 | 108 | H66 N412 T414 | H66-I416 PolarHBondContact CD2-O 3.37Å; H66-I416 VanDerWaalsContact CD2-O 3.31Å; H66-I416 PolarHBondContact NE2-O 3.34Å; H66-I416 VanDerWaalsContact NE2-O 3.12Å; N412-I416 PolarHBondContact ND2-O 3.4Å; N412-I416 PolarHBondContact OD1-N 3.15Å; T414-I416 VanDerWaalsContact C-N 3.29Å; T414-I416 PolarHBondContact O-N 3.32Å; T414-I416 WeakPolarHBondContact OG1-CD1 3.39Å; T414-I416 WeakPolarHBondContact OG1-CG1 3.29Å |
| 417 | H | 82.4 | Confident | 77.5 | Confident | 24 Ų | 24 | 71.4 Ų | 71.4 | 11% | 0.111 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 152.8 | 176.7 | 61.5 | -99.3 | 0 | 0 | 0 | 112.8 | P67 Y274 A277 | P67-H417 HydrophobicContact CG-CB 3.78Å; Y274-H417 HydrophobicContact CD2-CB 3.31Å; Y274-H417 AromaticContact CD2-CG 3.61Å; Y274-H417 HydrophobicContact CE2-CB 4.07Å; Y274-H417 HydrophobicContact CG-CB 4.13Å; A277-H417 VanDerWaalsContact CB-CE1 3.43Å; A277-H417 WeakPolarHBondContact CB-CE1 3.4Å; A277-H417 WeakPolarHBondContact CB-NE2 3.36Å |
| 418 | E | 81.4 | Confident | 77.8 | Confident | 44 Ų | 44 | 74.2 Ų | 74.2 | 21% | 0.206 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -92.7 | 120.6 | 177.5 | -67.9 | -176.8 | 178.9 | 0 | 0 | 110.8 | Q68 R407 L421 I422 | Q68-E418 PolarHBondContact NE2-O 2.9Å; R407-E418 IonicContact CZ-OE2 3.59Å; R407-E418 IonicContact NH1-OE2 3.5Å; R407-E418 PolarHBondContact NH1-OE2 3.05Å; E418-L421 HydrophobicContact CB-CD1 4.28Å; E418-L421 HydrophobicContact CB-CG 4.44Å; E418-L421 WeakPolarHBondContact OE2-CD1 3.23Å; E418-I422 WeakPolarHBondContact O-CG1 3.01Å; E418-I422 PolarHBondContact O-N 3.35Å |
| 419 | V | 80.9 | Confident | 78.5 | Confident | 63 Ų | 63 | 71.1 Ų | 71.1 | 38% | 0.382 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -68.3 | -35.2 | -176.8 | 170.4 | 0 | 0 | 0 | 0 | 112.2 | I281 I422 K423 | I281-V419 HydrophobicContact CD1-CB 4.39Å; I281-V419 HydrophobicContact CD1-CG1 3.76Å; I281-V419 HydrophobicContact CD1-CG2 4.48Å; I281-V419 HydrophobicContact CG1-CG1 4.45Å; V419-I422 PolarHBondContact O-N 2.91Å; V419-K423 HydrophobicContact CG1-CD 4.19Å; V419-K423 HydrophobicContact CG1-CG 4.39Å; V419-K423 WeakPolarHBondContact O-CG 3.4Å; V419-K423 PolarHBondContact O-N 3.38Å |
| 420 | E | 81.5 | Confident | 79.2 | Confident | 140 Ų | 140 | 69.5 Ų | 69.5 | 65% | 0.654 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -66.2 | -44.2 | -177.7 | -65.5 | -177.6 | 170 | 0 | 0 | 112.2 | I422 K423 E424 | E420-I422 VanDerWaalsContact C-N 3.28Å; E420-I422 PolarHBondContact O-N 2.98Å; E420-K423 WeakPolarHBondContact O-CB 3.31Å; E420-K423 PolarHBondContact O-N 2.88Å; E420-K423 VanDerWaalsContact O-N 3.1Å; E420-E424 WeakPolarHBondContact O-CG 3.36Å; E420-E424 PolarHBondContact O-N 3.37Å |
| 421 | L | 82.3 | Confident | 79.7 | Confident | 16 Ų | 16 | 69.6 Ų | 69.6 | 8% | 0.084 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.1 | -39.5 | 173.6 | -73.8 | 179.9 | 0 | 0 | 0 | 112.1 | V403 W404 R407 E418 K423 E424 E425 | V403-L421 HydrophobicContact CG1-CD1 3.93Å; V403-L421 HydrophobicContact CG1-CD2 3.9Å; W404-L421 HydrophobicContact CH2-CD1 4.11Å; W404-L421 HydrophobicContact CZ2-CD1 3.81Å; R407-L421 VanDerWaalsContact NH1-CD1 3.31Å; R407-L421 VanDerWaalsContact NH1-CG 3.33Å; E418-L421 HydrophobicContact CB-CD1 4.28Å; E418-L421 HydrophobicContact CB-CG 4.44Å; E418-L421 WeakPolarHBondContact OE2-CD1 3.23Å; L421-K423 VanDerWaalsContact C-N 3.34Å; L421-E424 PolarHBondContact O-N 2.87Å; L421-E425 WeakPolarHBondContact O-CG 3.5Å; L421-E425 PolarHBondContact O-N 3Å |
| 422 | I | 83.4 | Confident | 80.4 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.3 | -43.6 | 175.5 | -60.5 | 167.6 | 0 | 0 | 0 | 109.8 | Y274 A277 I278 I281 E418 V419 E420 E424 E425 M426 | Y274-I422 HydrophobicContact CD2-CD1 3.63Å; Y274-I422 HydrophobicContact CD2-CG1 4.31Å; Y274-I422 HydrophobicContact CE2-CD1 3.42Å; Y274-I422 VanDerWaalsContact CE2-CD1 3.42Å; Y274-I422 HydrophobicContact CE2-CG1 3.57Å; A277-I422 HydrophobicContact CB-CD1 4.38Å; I278-I422 HydrophobicContact CB-CG2 4.43Å; I278-I422 HydrophobicContact CG1-CD1 4.48Å; I278-I422 HydrophobicContact CG1-CG2 3.89Å; I281-I422 HydrophobicContact CB-CG2 4.19Å; I281-I422 HydrophobicContact CD1-CB 3.82Å; I281-I422 HydrophobicContact CD1-CD1 4.06Å; I281-I422 HydrophobicContact CD1-CG2 3.6Å; I281-I422 HydrophobicContact CG2-CG2 4.15Å; E418-I422 WeakPolarHBondContact O-CG1 3.01Å; E418-I422 PolarHBondContact O-N 3.35Å; V419-I422 PolarHBondContact O-N 2.91Å; E420-I422 VanDerWaalsContact C-N 3.28Å; E420-I422 PolarHBondContact O-N 2.98Å; I422-E424 PolarHBondContact O-N 3.26Å; I422-E425 PolarHBondContact O-N 3.35Å; I422-M426 HydrophobicContact CG2-CG 3.89Å; I422-M426 VanDerWaalsContact O-CB 3.29Å; I422-M426 WeakPolarHBondContact O-CB 3.39Å; I422-M426 WeakPolarHBondContact O-CG 3.23Å; I422-M426 PolarHBondContact O-N 3.42Å |
| 423 | K | 83.2 | Confident | 80.7 | Confident | 74 Ų | 74 | 68.4 Ų | 68.4 | 32% | 0.322 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.2 | -44.9 | 177.5 | -74.5 | 176.4 | 176.6 | -176.3 | 0 | 111.8 | I281 I285 V419 E420 L421 M426 R427 | I281-K423 HydrophobicContact CG2-CB 4.4Å; I281-K423 HydrophobicContact CG2-CG 3.56Å; I285-K423 HydrophobicContact CD1-CB 4.48Å; I285-K423 HydrophobicContact CD1-CG 4.5Å; V419-K423 HydrophobicContact CG1-CD 4.19Å; V419-K423 HydrophobicContact CG1-CG 4.39Å; V419-K423 WeakPolarHBondContact O-CG 3.4Å; V419-K423 PolarHBondContact O-N 3.38Å; E420-K423 WeakPolarHBondContact O-CB 3.31Å; E420-K423 PolarHBondContact O-N 2.88Å; E420-K423 VanDerWaalsContact O-N 3.1Å; L421-K423 VanDerWaalsContact C-N 3.34Å; K423-M426 PolarHBondContact O-N 3.32Å; K423-R427 VanDerWaalsContact O-CB 3.3Å; K423-R427 WeakPolarHBondContact O-CB 3.36Å; K423-R427 VanDerWaalsContact O-CG 3.24Å; K423-R427 WeakPolarHBondContact O-CG 3.35Å; K423-R427 PolarHBondContact O-N 3.31Å |
| 424 | E | 82.3 | Confident | 81.3 | Confident | 99 Ų | 99 | 61.5 Ų | 61.5 | 46% | 0.463 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.1 | -44 | 177.6 | -71.3 | 175.1 | -179.2 | 0 | 0 | 112.6 | E420 L421 I422 K428 | E420-E424 WeakPolarHBondContact O-CG 3.36Å; E420-E424 PolarHBondContact O-N 3.37Å; L421-E424 PolarHBondContact O-N 2.87Å; I422-E424 PolarHBondContact O-N 3.26Å; E424-K428 PolarHBondContact O-N 3.3Å |
| 425 | E | 82.1 | Confident | 81.6 | Confident | 100 Ų | 100 | 60.5 Ų | 60.5 | 47% | 0.467 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.3 | -44.3 | 176 | -74.3 | 179.6 | 171.5 | 0 | 0 | 111.7 | L421 I422 K428 I429 | L421-E425 WeakPolarHBondContact O-CG 3.5Å; L421-E425 PolarHBondContact O-N 3Å; I422-E425 PolarHBondContact O-N 3.35Å; E425-K428 PolarHBondContact O-N 2.93Å; E425-I429 PolarHBondContact O-N 3.04Å |
| 426 | M | 83.2 | Confident | 81.8 | Confident | 14 Ų | 14 | 65.8 Ų | 65.8 | 7% | 0.069 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70.1 | -33.7 | 179.7 | -67.5 | -53.2 | 102.9 | 0 | 0 | 112.1 | I278 L282 I285 I422 K423 K428 I429 V430 | I278-M426 HydrophobicContact CG2-CE 4.17Å; I278-M426 HydrophobicContact CG2-CG 4.5Å; I278-M426 HydrophobicContact CG2-SD 3.71Å; L282-M426 HydrophobicContact CB-CG 4.41Å; L282-M426 HydrophobicContact CB-SD 4.31Å; L282-M426 HydrophobicContact CD1-SD 3.89Å; I285-M426 HydrophobicContact CD1-CB 3.69Å; I422-M426 HydrophobicContact CG2-CG 3.89Å; I422-M426 VanDerWaalsContact O-CB 3.29Å; I422-M426 WeakPolarHBondContact O-CB 3.39Å; I422-M426 WeakPolarHBondContact O-CG 3.23Å; I422-M426 PolarHBondContact O-N 3.42Å; K423-M426 PolarHBondContact O-N 3.32Å; M426-K428 VanDerWaalsContact C-N 3.33Å; M426-K428 PolarHBondContact O-N 3.02Å; M426-I429 HydrophobicContact CE-CD1 3.58Å; M426-I429 PolarHBondContact O-N 2.95Å; M426-I429 HydrophobicContact SD-CD1 4.02Å; M426-V430 WeakPolarHBondContact O-CG2 3.38Å; M426-V430 PolarHBondContact O-N 2.9Å |
| 427 | R | 82.8 | Confident | 82 | Confident | 91 Ų | 91 | 66.3 Ų | 66.3 | 34% | 0.343 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58 | -44.7 | 173.1 | -84.5 | 177.6 | -172.4 | 164.1 | 3.3 | 111.5 | I285 E289 K423 I429 V430 E431 | I285-R427 HydrophobicContact CD1-CG 4.16Å; I285-R427 HydrophobicContact CG2-CG 4.42Å; E289-R427 IonicContact OE1-CZ 3.11Å; E289-R427 IonicContact OE1-NE 2.67Å; E289-R427 PolarHBondContact OE1-NE 2.8Å; E289-R427 IonicContact OE1-NH2 3.63Å; E289-R427 PolarHBondContact OE1-NH2 3.23Å; E289-R427 WeakPolarHBondContact OE2-CG 3.3Å; E289-R427 IonicContact OE2-CZ 3.76Å; E289-R427 IonicContact OE2-NE 3.87Å; E289-R427 PolarHBondContact OE2-NE 2.88Å; E289-R427 IonicContact OE2-NH2 2.72Å; K423-R427 VanDerWaalsContact O-CB 3.3Å; K423-R427 WeakPolarHBondContact O-CB 3.36Å; K423-R427 VanDerWaalsContact O-CG 3.24Å; K423-R427 WeakPolarHBondContact O-CG 3.35Å; K423-R427 PolarHBondContact O-N 3.31Å; R427-I429 VanDerWaalsContact C-N 3.31Å; R427-I429 PolarHBondContact O-N 3.43Å; R427-V430 PolarHBondContact O-N 3.23Å; R427-E431 WeakPolarHBondContact O-CB 3.25Å; R427-E431 WeakPolarHBondContact O-CG 3.33Å; R427-E431 PolarHBondContact O-N 3.15Å |
| 428 | K | 82.4 | Confident | 81.8 | Confident | 138 Ų | 138 | 65.2 Ų | 65.2 | 60% | 0.6 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -58.9 | -42.7 | 176.8 | -67.9 | 174.6 | -177.1 | 176.9 | 0 | 112.2 | E424 E425 M426 E432 | E424-K428 PolarHBondContact O-N 3.3Å; E425-K428 PolarHBondContact O-N 2.93Å; M426-K428 VanDerWaalsContact C-N 3.33Å; M426-K428 PolarHBondContact O-N 3.02Å; K428-E432 WeakPolarHBondContact O-CG 3.48Å; K428-E432 PolarHBondContact O-N 2.69Å |
| 429 | I | 83.1 | Confident | 81.6 | Confident | 72 Ų | 72 | 63.6 Ų | 63.6 | 37% | 0.369 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.7 | -47.1 | 178.6 | -62.3 | 171.1 | 0 | 0 | 0 | 110.5 | E425 M426 R427 E432 E433 | E425-I429 PolarHBondContact O-N 3.04Å; M426-I429 HydrophobicContact CE-CD1 3.58Å; M426-I429 PolarHBondContact O-N 2.95Å; M426-I429 HydrophobicContact SD-CD1 4.02Å; R427-I429 VanDerWaalsContact C-N 3.31Å; R427-I429 PolarHBondContact O-N 3.43Å; I429-E432 PolarHBondContact O-N 3.02Å; I429-E433 WeakPolarHBondContact O-CG 3.43Å; I429-E433 PolarHBondContact O-N 3.07Å; I429-E433 VanDerWaalsContact O-N 3.08Å |
| 430 | V | 83.7 | Confident | 81.5 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68.4 | -37.6 | 179.6 | -179.7 | 0 | 0 | 0 | 0 | 111 | I285 R286 W290 M293 M426 R427 E432 E433 V434 | I285-V430 HydrophobicContact CG2-CB 4.01Å; I285-V430 HydrophobicContact CG2-CG1 4.1Å; I285-V430 HydrophobicContact CG2-CG2 3.89Å; R286-V430 HydrophobicContact CG-CG1 4.28Å; R286-V430 HydrophobicContact CG-CG2 4.11Å; W290-V430 HydrophobicContact CE3-CG1 3.59Å; W290-V430 HydrophobicContact CZ3-CG1 3.87Å; M293-V430 HydrophobicContact CE-CB 4.15Å; M293-V430 HydrophobicContact CE-CG1 3.49Å; M293-V430 VanDerWaalsContact CE-CG1 3.49Å; M426-V430 WeakPolarHBondContact O-CG2 3.38Å; M426-V430 PolarHBondContact O-N 2.9Å; R427-V430 PolarHBondContact O-N 3.23Å; V430-E432 VanDerWaalsContact C-N 3.33Å; V430-E432 PolarHBondContact O-N 3.08Å; V430-E433 PolarHBondContact O-N 2.95Å; V430-V434 HydrophobicContact CG1-CG2 4.1Å; V430-V434 WeakPolarHBondContact O-CB 3.42Å; V430-V434 VanDerWaalsContact O-CG2 3.23Å; V430-V434 WeakPolarHBondContact O-CG2 3.41Å; V430-V434 PolarHBondContact O-N 3.39Å |
| 431 | E | 81.2 | Confident | 81.4 | Confident | 67 Ų | 67 | 62 Ų | 62 | 31% | 0.313 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.8 | -40.9 | 173.5 | -79.3 | 173.4 | -167.5 | 0 | 0 | 111.7 | M293 M297 R427 R435 | M293-E431 HydrophobicContact SD-CG 3.53Å; M293-E431 VanDerWaalsContact SD-CG 3.53Å; M297-E431 HydrophobicContact CE-CB 3.8Å; M297-E431 HydrophobicContact CE-CG 3.87Å; R427-E431 WeakPolarHBondContact O-CB 3.25Å; R427-E431 WeakPolarHBondContact O-CG 3.33Å; R427-E431 PolarHBondContact O-N 3.15Å; E431-R435 WeakPolarHBondContact O-CB 3.12Å; E431-R435 PolarHBondContact O-N 3.47Å |
| 432 | E | 80.3 | Confident | 81.1 | Confident | 114 Ų | 114 | 61.2 Ų | 61.2 | 53% | 0.533 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.2 | -40.7 | 173.9 | -75.1 | 176.4 | -178.2 | 0 | 0 | 112.3 | K428 I429 V430 R435 L436 | K428-E432 WeakPolarHBondContact O-CG 3.48Å; K428-E432 PolarHBondContact O-N 2.69Å; I429-E432 PolarHBondContact O-N 3.02Å; V430-E432 VanDerWaalsContact C-N 3.33Å; V430-E432 PolarHBondContact O-N 3.08Å; E432-R435 WeakPolarHBondContact O-CB 3.38Å; E432-R435 PolarHBondContact O-N 3.31Å; E432-L436 PolarHBondContact O-N 3.31Å |
| 433 | E | 83.6 | Confident | 80.8 | Confident | 71 Ų | 71 | 65.6 Ų | 65.6 | 33% | 0.332 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.1 | -48.2 | 174.5 | -70.5 | 179.2 | 166.6 | 0 | 0 | 111.8 | R286 W290 I429 V430 R435 L436 Q437 | R286-E433 IonicContact CZ-OE2 3.88Å; R286-E433 IonicContact NE-OE2 2.99Å; R286-E433 PolarHBondContact NE-OE2 3.48Å; R286-E433 IonicContact NH2-OE1 3.46Å; R286-E433 PolarHBondContact NH2-OE1 2.85Å; R286-E433 IonicContact NH2-OE2 2.78Å; R286-E433 PolarHBondContact NH2-OE2 2.79Å; W290-E433 HydrophobicContact CH2-CB 4.03Å; W290-E433 HydrophobicContact CZ3-CB 3.95Å; I429-E433 WeakPolarHBondContact O-CG 3.43Å; I429-E433 PolarHBondContact O-N 3.07Å; I429-E433 VanDerWaalsContact O-N 3.08Å; V430-E433 PolarHBondContact O-N 2.95Å; E433-R435 VanDerWaalsContact C-N 3.27Å; E433-R435 PolarHBondContact O-N 2.98Å; E433-L436 PolarHBondContact O-N 2.84Å; E433-Q437 PolarHBondContact O-N 3.45Å |
| 434 | V | 81.9 | Confident | 80.5 | Confident | 1 Ų | 1 | 67.8 Ų | 67.8 | 1% | 0.006 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.4 | -42.6 | 175.3 | 171.1 | 0 | 0 | 0 | 0 | 109.9 | W290 M293 A294 M297 V430 L436 Q437 V438 | W290-V434 HydrophobicContact CD2-CG2 3.52Å; W290-V434 HydrophobicContact CE3-CG2 3.32Å; W290-V434 HydrophobicContact CG-CG2 4.25Å; W290-V434 HydrophobicContact CH2-CB 4.29Å; W290-V434 HydrophobicContact CH2-CG2 3.63Å; W290-V434 HydrophobicContact CZ2-CB 4.46Å; W290-V434 HydrophobicContact CZ2-CG2 3.81Å; W290-V434 HydrophobicContact CZ3-CB 4.42Å; W290-V434 HydrophobicContact CZ3-CG2 3.39Å; M293-V434 HydrophobicContact CB-CG1 4.48Å; M293-V434 HydrophobicContact CE-CG2 4.4Å; A294-V434 HydrophobicContact CB-CG1 3.77Å; M297-V434 HydrophobicContact SD-CG1 4.02Å; V430-V434 HydrophobicContact CG1-CG2 4.1Å; V430-V434 WeakPolarHBondContact O-CB 3.42Å; V430-V434 VanDerWaalsContact O-CG2 3.23Å; V430-V434 WeakPolarHBondContact O-CG2 3.41Å; V430-V434 PolarHBondContact O-N 3.39Å; V434-L436 VanDerWaalsContact C-N 3.34Å; V434-L436 PolarHBondContact O-N 3.46Å; V434-Q437 PolarHBondContact O-N 2.85Å; V434-V438 HydrophobicContact CG1-CG2 3.81Å; V434-V438 WeakPolarHBondContact O-CB 3.33Å; V434-V438 VanDerWaalsContact O-CG2 3.3Å; V434-V438 WeakPolarHBondContact O-CG2 3.24Å; V434-V438 PolarHBondContact O-N 2.98Å |
| 435 | R | 77.4 | Confident | 80 | Confident | 61 Ų | 61 | 65.2 Ų | 65.2 | 23% | 0.23 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.4 | -44 | -179.1 | -172.7 | -176.3 | -62.7 | 139.9 | 4.5 | 111.9 | M297 S326 E431 E432 E433 Q437 V438 D439 | M297-R435 HydrophobicContact SD-CB 4.25Å; S326-R435 WeakPolarHBondContact OG-CD 3.33Å; S326-R435 WeakPolarHBondContact OG-CG 3.39Å; E431-R435 WeakPolarHBondContact O-CB 3.12Å; E431-R435 PolarHBondContact O-N 3.47Å; E432-R435 WeakPolarHBondContact O-CB 3.38Å; E432-R435 PolarHBondContact O-N 3.31Å; E433-R435 VanDerWaalsContact C-N 3.27Å; E433-R435 PolarHBondContact O-N 2.98Å; R435-Q437 VanDerWaalsContact C-N 3.31Å; R435-Q437 PolarHBondContact O-N 2.96Å; R435-V438 PolarHBondContact O-N 3.37Å; R435-D439 VanDerWaalsContact O-CB 3.24Å; R435-D439 WeakPolarHBondContact O-CB 3.36Å; R435-D439 PolarHBondContact O-N 3.45Å |
| 436 | L | 81.4 | Confident | 79.4 | Confident | 116 Ų | 116 | 61 Ų | 61 | 61% | 0.607 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -61 | -41.6 | 178.2 | -72.3 | 171 | 0 | 0 | 0 | 112.1 | E432 E433 V434 E440 | E432-L436 PolarHBondContact O-N 3.31Å; E433-L436 PolarHBondContact O-N 2.84Å; V434-L436 VanDerWaalsContact C-N 3.34Å; V434-L436 PolarHBondContact O-N 3.46Å; L436-E440 PolarHBondContact O-N 3.5Å |
| 437 | Q | 80.6 | Confident | 78.9 | Confident | 87 Ų | 87 | 63.2 Ų | 63.2 | 41% | 0.407 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -70.5 | -44.8 | 177.8 | -177.1 | 173.1 | -14.1 | 0 | 0 | 111.8 | W290 E433 V434 R435 D439 E440 E441 | W290-Q437 VanDerWaalsContact CZ2-OE1 3.3Å; E433-Q437 PolarHBondContact O-N 3.45Å; V434-Q437 PolarHBondContact O-N 2.85Å; R435-Q437 VanDerWaalsContact C-N 3.31Å; R435-Q437 PolarHBondContact O-N 2.96Å; Q437-D439 VanDerWaalsContact C-N 3.3Å; Q437-D439 PolarHBondContact O-N 3.07Å; Q437-E440 PolarHBondContact O-N 3.23Å; Q437-E441 HydrophobicContact CG-CG 4.49Å; Q437-E441 WeakPolarHBondContact CG-OE1 3.49Å; Q437-E441 PolarHBondContact NE2-OE1 2.64Å; Q437-E441 WeakPolarHBondContact O-CG 3.45Å; Q437-E441 PolarHBondContact O-N 3.21Å |
| 438 | V | 79.4 | Confident | 78.5 | Confident | 2 Ų | 2 | 65.3 Ų | 65.3 | 1% | 0.012 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.5 | -40.4 | 176.8 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | A294 M297 K298 I301 V434 R435 E440 E441 M442 | A294-V438 HydrophobicContact CB-CG2 4.05Å; M297-V438 HydrophobicContact CB-CG1 4.23Å; K298-V438 HydrophobicContact CG-CG1 3.72Å; K298-V438 HydrophobicContact CG-CG2 4.26Å; I301-V438 HydrophobicContact CD1-CG1 3.72Å; V434-V438 HydrophobicContact CG1-CG2 3.81Å; V434-V438 WeakPolarHBondContact O-CB 3.33Å; V434-V438 VanDerWaalsContact O-CG2 3.3Å; V434-V438 WeakPolarHBondContact O-CG2 3.24Å; V434-V438 PolarHBondContact O-N 2.98Å; R435-V438 PolarHBondContact O-N 3.37Å; V438-E440 VanDerWaalsContact C-N 3.26Å; V438-E440 PolarHBondContact O-N 3.46Å; V438-E441 PolarHBondContact O-N 3.33Å; V438-M442 HydrophobicContact CG1-CG 3.83Å; V438-M442 VanDerWaalsContact O-CB 3.32Å; V438-M442 WeakPolarHBondContact O-CB 3.22Å; V438-M442 WeakPolarHBondContact O-CG 3.34Å; V438-M442 PolarHBondContact O-N 3.45Å |
| 439 | D | 76.8 | Confident | 77.8 | Confident | 9 Ų | 9 | 61.4 Ų | 61.4 | 5% | 0.048 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.7 | -29.1 | 177.5 | -78.9 | 1.6 | 0 | 0 | 0 | 113.4 | Y318 S326 R435 Q437 R443 | Y318-D439 HydrophobicContact CE1-CB 3.95Å; Y318-D439 VanDerWaalsContact OH-CG 3.26Å; Y318-D439 PolarHBondContact OH-OD1 2.89Å; S326-D439 WeakPolarHBondContact CB-OD1 3.39Å; S326-D439 PolarHBondContact N-OD2 3.45Å; S326-D439 VanDerWaalsContact N-OD2 3.12Å; S326-D439 VanDerWaalsContact OG-CG 3.29Å; S326-D439 PolarHBondContact OG-OD1 3.3Å; S326-D439 PolarHBondContact OG-OD2 3.35Å; R435-D439 VanDerWaalsContact O-CB 3.24Å; R435-D439 WeakPolarHBondContact O-CB 3.36Å; R435-D439 PolarHBondContact O-N 3.45Å; Q437-D439 VanDerWaalsContact C-N 3.3Å; Q437-D439 PolarHBondContact O-N 3.07Å; D439-R443 WeakPolarHBondContact O-CB 3.15Å; D439-R443 WeakPolarHBondContact O-CG 3.39Å; D439-R443 PolarHBondContact O-N 3.34Å; D439-R443 PolarHBondContact O-NE 3.4Å |
| 440 | E | 80.1 | Confident | 77 | Confident | 114 Ų | 114 | 60 Ų | 60 | 53% | 0.533 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -76.5 | -48.3 | 174.5 | -170.4 | 163.4 | -152.9 | 0 | 0 | 110.5 | L436 Q437 V438 M442 R443 E444 | L436-E440 PolarHBondContact O-N 3.5Å; Q437-E440 PolarHBondContact O-N 3.23Å; V438-E440 VanDerWaalsContact C-N 3.26Å; V438-E440 PolarHBondContact O-N 3.46Å; E440-M442 PolarHBondContact O-N 3.4Å; E440-R443 WeakPolarHBondContact O-CB 2.99Å; E440-R443 PolarHBondContact O-N 2.87Å; E440-E444 PolarHBondContact O-N 3.47Å |
| 441 | E | 78.4 | Confident | 76.1 | Confident | 55 Ų | 55 | 64.8 Ų | 64.8 | 26% | 0.257 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.4 | -40.3 | 178.3 | -67.8 | 174 | 179.4 | 0 | 0 | 112.2 | K298 Q437 V438 R443 E444 E445 | K298-E441 WeakPolarHBondContact CE-OE2 3.38Å; K298-E441 IonicContact NZ-OE2 4Å; K298-E441 PolarHBondContact NZ-OE2 2.96Å; Q437-E441 HydrophobicContact CG-CG 4.49Å; Q437-E441 WeakPolarHBondContact CG-OE1 3.49Å; Q437-E441 PolarHBondContact NE2-OE1 2.64Å; Q437-E441 WeakPolarHBondContact O-CG 3.45Å; Q437-E441 PolarHBondContact O-N 3.21Å; V438-E441 PolarHBondContact O-N 3.33Å; E441-R443 VanDerWaalsContact C-N 3.31Å; E441-R443 PolarHBondContact O-N 3.33Å; E441-E444 PolarHBondContact O-N 3.27Å; E441-E445 WeakPolarHBondContact O-CG 3.41Å; E441-E445 PolarHBondContact O-N 3.05Å |
| 442 | M | 75.6 | Confident | 75.3 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -70.2 | -27.1 | 177 | -67 | -52.3 | -49.6 | 0 | 0 | 112.5 | K298 I301 R302 F305 Y318 V438 E440 E445 L446 | K298-M442 HydrophobicContact CB-SD 4.11Å; K298-M442 HydrophobicContact CD-SD 4.49Å; K298-M442 HydrophobicContact CG-CG 4.49Å; K298-M442 HydrophobicContact CG-SD 3.81Å; I301-M442 HydrophobicContact CB-CE 4.47Å; I301-M442 HydrophobicContact CB-CG 4.37Å; I301-M442 HydrophobicContact CD1-CG 4.02Å; I301-M442 HydrophobicContact CG2-CB 4.27Å; I301-M442 HydrophobicContact CG2-CE 3.97Å; I301-M442 HydrophobicContact CG2-CG 4.01Å; R302-M442 HydrophobicContact CG-CE 3.68Å; F305-M442 HydrophobicContact CD2-CE 4.07Å; F305-M442 HydrophobicContact CE2-CE 3.45Å; F305-M442 VanDerWaalsContact CE2-CE 3.45Å; F305-M442 HydrophobicContact CZ-CE 4.4Å; Y318-M442 HydrophobicContact CE2-CB 4.25Å; V438-M442 HydrophobicContact CG1-CG 3.83Å; V438-M442 VanDerWaalsContact O-CB 3.32Å; V438-M442 WeakPolarHBondContact O-CB 3.22Å; V438-M442 WeakPolarHBondContact O-CG 3.34Å; V438-M442 PolarHBondContact O-N 3.45Å; E440-M442 PolarHBondContact O-N 3.4Å; M442-E445 HydrophobicContact CE-CB 4.43Å; M442-E445 WeakPolarHBondContact CE-OE2 3.33Å; M442-L446 VanDerWaalsContact O-CB 3.24Å; M442-L446 WeakPolarHBondContact O-CB 3.41Å; M442-L446 PolarHBondContact O-N 2.84Å |
| 443 | R | 77.5 | Confident | 74.3 | Confident | 92 Ų | 92 | 63 Ų | 63 | 35% | 0.347 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -68.1 | -38.6 | 172.1 | -96 | 179 | -83.9 | 155.8 | -8.7 | 111.6 | Y318 D439 E440 E441 A447 | Y318-R443 HydrophobicContact CD1-CG 3.57Å; Y318-R443 HydrophobicContact CE1-CG 4.33Å; Y318-R443 HydrophobicContact CG-CG 3.72Å; D439-R443 WeakPolarHBondContact O-CB 3.15Å; D439-R443 WeakPolarHBondContact O-CG 3.39Å; D439-R443 PolarHBondContact O-N 3.34Å; D439-R443 PolarHBondContact O-NE 3.4Å; E440-R443 WeakPolarHBondContact O-CB 2.99Å; E440-R443 PolarHBondContact O-N 2.87Å; E441-R443 VanDerWaalsContact C-N 3.31Å; E441-R443 PolarHBondContact O-N 3.33Å; R443-A447 WeakPolarHBondContact O-CB 3.48Å; R443-A447 PolarHBondContact O-N 3.05Å; R443-A447 VanDerWaalsContact O-N 3.09Å |
| 444 | E | 76.4 | Confident | 72.9 | Confident | 120 Ų | 120 | 61.8 Ų | 61.8 | 56% | 0.561 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -67.3 | -48.3 | 173.6 | -65.6 | -178.6 | 165.4 | 0 | 0 | 111.1 | E440 E441 L446 A447 E448 | E440-E444 PolarHBondContact O-N 3.47Å; E441-E444 PolarHBondContact O-N 3.27Å; E444-L446 VanDerWaalsContact C-N 3.3Å; E444-L446 PolarHBondContact O-N 3.43Å; E444-A447 WeakPolarHBondContact O-CB 2.98Å; E444-A447 PolarHBondContact O-N 3Å; E444-A447 VanDerWaalsContact O-N 3.1Å; E444-E448 WeakPolarHBondContact O-CG 3.44Å; E444-E448 PolarHBondContact O-N 2.88Å |
| 445 | E | 72.4 | Confident | 71.5 | Confident | 46 Ų | 46 | 71 Ų | 71 | 22% | 0.215 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -57.6 | -41.9 | 176.5 | -73.6 | -174.1 | -169.4 | 0 | 0 | 111.7 | R302 E441 M442 E448 L449 | R302-E445 IonicContact CZ-OE1 2.77Å; R302-E445 IonicContact CZ-OE2 3.9Å; R302-E445 IonicContact NE-OE2 2.72Å; R302-E445 PolarHBondContact NE-OE2 3.36Å; R302-E445 VanDerWaalsContact NE-OE2 3.07Å; R302-E445 VanDerWaalsContact NH2-CD 3.29Å; R302-E445 IonicContact NH2-OE1 3.61Å; R302-E445 PolarHBondContact NH2-OE1 3.17Å; R302-E445 IonicContact NH2-OE2 2.59Å; R302-E445 PolarHBondContact NH2-OE2 2.68Å; E441-E445 WeakPolarHBondContact O-CG 3.41Å; E441-E445 PolarHBondContact O-N 3.05Å; M442-E445 HydrophobicContact CE-CB 4.43Å; M442-E445 WeakPolarHBondContact CE-OE2 3.33Å; E445-E448 PolarHBondContact O-N 3.13Å; E445-L449 WeakPolarHBondContact O-CB 3.28Å; E445-L449 VanDerWaalsContact O-CG 3.23Å; E445-L449 WeakPolarHBondContact O-CG 3.48Å; E445-L449 PolarHBondContact O-N 3.19Å |
| 446 | L | 69.8 | Low | 69.9 | Low | 11 Ų | 11 | 74.9 Ų | 74.9 | 6% | 0.058 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -67.7 | -36.3 | 177.6 | -175.5 | 144.2 | 0 | 0 | 0 | 112.4 | F305 P316 M442 E444 L449 K450 | F305-L446 HydrophobicContact CD1-CD1 3.96Å; F305-L446 HydrophobicContact CE1-CD1 3.29Å; F305-L446 HydrophobicContact CE2-CB 4.36Å; F305-L446 HydrophobicContact CE2-CD1 3.98Å; F305-L446 HydrophobicContact CZ-CB 4.25Å; F305-L446 HydrophobicContact CZ-CD1 3.32Å; F305-L446 HydrophobicContact CZ-CG 4.4Å; P316-L446 WeakPolarHBondContact O-CD1 3.43Å; M442-L446 VanDerWaalsContact O-CB 3.24Å; M442-L446 WeakPolarHBondContact O-CB 3.41Å; M442-L446 PolarHBondContact O-N 2.84Å; E444-L446 VanDerWaalsContact C-N 3.3Å; E444-L446 PolarHBondContact O-N 3.43Å; L446-L449 PolarHBondContact O-N 2.96Å; L446-K450 HydrophobicContact CD2-CD 3.81Å; L446-K450 VanDerWaalsContact CD2-CE 3.49Å; L446-K450 HydrophobicContact CD2-CG 4.33Å; L446-K450 WeakPolarHBondContact O-CB 3.37Å; L446-K450 WeakPolarHBondContact O-CG 3.1Å; L446-K450 PolarHBondContact O-N 3.48Å |
| 447 | A | 72.4 | Confident | 67.5 | Low | 60 Ų | 60 | 78.4 Ų | 78.4 | 50% | 0.496 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65.6 | -40.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | R443 E444 L451 | R443-A447 WeakPolarHBondContact O-CB 3.48Å; R443-A447 PolarHBondContact O-N 3.05Å; R443-A447 VanDerWaalsContact O-N 3.09Å; E444-A447 WeakPolarHBondContact O-CB 2.98Å; E444-A447 PolarHBondContact O-N 3Å; E444-A447 VanDerWaalsContact O-N 3.1Å; A447-L451 WeakPolarHBondContact O-CB 3.32Å; A447-L451 PolarHBondContact O-N 2.85Å; A447-L451 VanDerWaalsContact O-N 3.09Å |
| 448 | E | 75.1 | Confident | 65.3 | Low | 135 Ų | 135 | 79.4 Ų | 79.4 | 63% | 0.631 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -67.1 | -41.9 | 174.6 | -70.4 | -176.3 | 173.3 | 0 | 0 | 112.2 | E444 E445 L451 A452 | E444-E448 WeakPolarHBondContact O-CG 3.44Å; E444-E448 PolarHBondContact O-N 2.88Å; E445-E448 PolarHBondContact O-N 3.13Å; E448-L451 WeakPolarHBondContact O-CB 3.18Å; E448-L451 PolarHBondContact O-N 2.88Å; E448-A452 WeakPolarHBondContact O-CB 3.46Å; E448-A452 PolarHBondContact O-N 3.02Å |
| 449 | L | 67.3 | Low | 63.3 | Low | 57 Ų | 57 | 82.8 Ų | 82.8 | 30% | 0.298 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -66.2 | -41.5 | 178.2 | -75 | 168.7 | 0 | 0 | 0 | 112.3 | F315 E445 L446 L451 A452 V453 | F315-L449 HydrophobicContact CE2-CB 4.42Å; F315-L449 HydrophobicContact CZ-CB 4.45Å; E445-L449 WeakPolarHBondContact O-CB 3.28Å; E445-L449 VanDerWaalsContact O-CG 3.23Å; E445-L449 WeakPolarHBondContact O-CG 3.48Å; E445-L449 PolarHBondContact O-N 3.19Å; L446-L449 PolarHBondContact O-N 2.96Å; L449-L451 VanDerWaalsContact C-N 3.32Å; L449-L451 PolarHBondContact O-N 2.68Å; L449-A452 PolarHBondContact O-N 2.51Å; L449-V453 WeakPolarHBondContact O-CB 3.2Å; L449-V453 PolarHBondContact O-N 2.93Å |
| 450 | K | 65.8 | Low | 61 | Low | 41 Ų | 41 | 92 Ų | 92 | 18% | 0.178 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -62.4 | -39.5 | 172.6 | -75.1 | -172.8 | 177.8 | -168.3 | 0 | 111.7 | F315 P316 D317 L446 D454 | F315-K450 HydrophobicContact CB-CG 4.14Å; F315-K450 WeakPolarHBondContact O-CE 3.49Å; F315-K450 PolarHBondContact O-NZ 3.44Å; F315-K450 VanDerWaalsContact O-NZ 3.12Å; P316-K450 WeakPolarHBondContact O-CE 3.38Å; P316-K450 PolarHBondContact O-NZ 2.98Å; P316-K450 VanDerWaalsContact O-NZ 3.07Å; D317-K450 IonicContact OD1-NZ 3.72Å; D317-K450 PolarHBondContact OD1-NZ 3.49Å; L446-K450 HydrophobicContact CD2-CD 3.81Å; L446-K450 VanDerWaalsContact CD2-CE 3.49Å; L446-K450 HydrophobicContact CD2-CG 4.33Å; L446-K450 WeakPolarHBondContact O-CB 3.37Å; L446-K450 WeakPolarHBondContact O-CG 3.1Å; L446-K450 PolarHBondContact O-N 3.48Å; K450-D454 WeakPolarHBondContact O-CB 3.41Å; K450-D454 PolarHBondContact O-N 2.96Å |
| 451 | L | 65.1 | Low | 58.8 | Low | 101 Ų | 101 | 95.5 Ų | 95.5 | 53% | 0.529 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.2 | -42 | 176.8 | -170.9 | 78.3 | 0 | 0 | 0 | 112.3 | A447 E448 L449 | A447-L451 WeakPolarHBondContact O-CB 3.32Å; A447-L451 PolarHBondContact O-N 2.85Å; A447-L451 VanDerWaalsContact O-N 3.09Å; E448-L451 WeakPolarHBondContact O-CB 3.18Å; E448-L451 PolarHBondContact O-N 2.88Å; L449-L451 VanDerWaalsContact C-N 3.32Å; L449-L451 PolarHBondContact O-N 2.68Å |
| 452 | A | 64.5 | Low | 56.3 | Low | 79 Ų | 79 | 102.6 Ų | 102.6 | 65% | 0.653 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -79.4 | -36.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | E448 L449 | E448-A452 WeakPolarHBondContact O-CB 3.46Å; E448-A452 PolarHBondContact O-N 3.02Å; L449-A452 PolarHBondContact O-N 2.51Å |
| 453 | V | 59.4 | Low | 54 | Low | 65 Ų | 65 | 105.2 Ų | 105.2 | 39% | 0.394 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -103.5 | -42.6 | -169.5 | -178.9 | 0 | 0 | 0 | 0 | 112.4 | F315 L449 | F315-V453 HydrophobicContact CE2-CB 4.44Å; F315-V453 HydrophobicContact CE2-CG1 4.49Å; L449-V453 WeakPolarHBondContact O-CB 3.2Å; L449-V453 PolarHBondContact O-N 2.93Å |
| 454 | D | 54.3 | Low | 51.6 | Low | 46 Ų | 46 | 107 Ų | 107 | 25% | 0.246 | 58% | 0.576 | C | S | . | * | S | Bend | trans | -90 | -5.4 | -173.6 | -62.2 | -29.5 | 0 | 0 | 0 | 112.8 | K450 E456 | K450-D454 WeakPolarHBondContact O-CB 3.41Å; K450-D454 PolarHBondContact O-N 2.96Å; D454-E456 PolarHBondContact O-N 2.72Å |
| 455 | K | 52.8 | Low | 49.2 | Very low | 194 Ų | 194 | 111 Ų | 111 | 84% | 0.843 | 59% | 0.592 | S | S | * | * | trans | 49.6 | 22.5 | -174.8 | -72.2 | -175.3 | 178.9 | 175.3 | 0 | 113.7 | ||||
| 456 | E | 42.1 | Very low | 46.9 | Very low | 142 Ų | 142 | 118.4 Ų | 118.4 | 66% | 0.664 | 62% | 0.623 | S | S | * | * | trans | -82.6 | 122.8 | 172.1 | -69.8 | -157.6 | 147.7 | 0 | 0 | 109.5 | D454 | D454-E456 PolarHBondContact O-N 2.72Š| ||
| 457 | K | 32.4 | Very low | 44.8 | Very low | 191 Ų | 191 | 127.9 Ų | 127.9 | 83% | 0.83 | 66% | 0.664 | S | S | * | * | trans | -60.9 | 141.7 | 168.2 | -78.1 | -178.1 | 177.9 | 176.7 | 0 | 108.4 | G459 | K457-G459 PolarHBondContact O-N 2.88Š| ||
| 458 | P | 34.8 | Very low | 42.5 | Very low | 108 Ų | 108 | 134.8 Ų | 134.8 | 70% | 0.701 | 68% | 0.683 | S | S | * | * | trans | -58.6 | 113.4 | 178.8 | 24 | -31.7 | 0 | 0 | 0 | 108.9 | K460 | P458-K460 PolarHBondContact O-N 2.72Š| ||
| 459 | G | 36.7 | Very low | 40.3 | Very low | 72 Ų | 72 | 131.8 Ų | 131.8 | 74% | 0.742 | 69% | 0.688 | S | S | * | * | trans | -57.7 | 120.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | K457 Q461 | K457-G459 PolarHBondContact O-N 2.88Å; G459-Q461 PolarHBondContact O-N 3.34Å | ||
| 460 | K | 29.1 | Very low | 38.3 | Very low | 202 Ų | 202 | 134.4 Ų | 134.4 | 88% | 0.878 | 71% | 0.711 | S | S | * | * | trans | -31.4 | 109.2 | 177.7 | -83.2 | 173.2 | 172.6 | 169.6 | 0 | 111.7 | P458 K462 | P458-K460 PolarHBondContact O-N 2.72Å; K460-K462 PolarHBondContact O-N 3.09Å | ||
| 461 | Q | 32.4 | Very low | 36.4 | Very low | 189 Ų | 189 | 142.2 Ų | 142.2 | 88% | 0.883 | 75% | 0.745 | S | S | * | * | trans | -53.1 | 118 | 153.2 | -85.3 | -178.3 | -9.5 | 0 | 0 | 106.9 | G459 G463 | G459-Q461 PolarHBondContact O-N 3.34Å; Q461-G463 PolarHBondContact O-N 3.23Å | ||
| 462 | K | 25.9 | Very low | 34.7 | Very low | 203 Ų | 203 | 141 Ų | 141 | 88% | 0.883 | 76% | 0.757 | S | S | * | * | trans | -57 | 110.8 | 167.4 | -82.1 | 172.7 | 178.2 | 159 | 0 | 106.4 | K460 | K460-K462 PolarHBondContact O-N 3.09Š| ||
| 463 | G | 28 | Very low | 32.9 | Very low | 55 Ų | 55 | 140.4 Ų | 140.4 | 57% | 0.567 | 76% | 0.759 | S | S | * | * | trans | -50.6 | 158.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q461 K465 | Q461-G463 PolarHBondContact O-N 3.23Å; G463-K465 PolarHBondContact O-N 3.31Å | ||
| 464 | P | 27.2 | Very low | 31.5 | Very low | 131 Ų | 131 | 147.2 Ų | 147.2 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | trans | -53.5 | 119.4 | -173.9 | 21.4 | -31.7 | 0 | 0 | 0 | 109.6 | K466 | P464-K466 PolarHBondContact O-N 3.34Š| ||
| 465 | K | 24.8 | Very low | 30.2 | Very low | 204 Ų | 204 | 154.6 Ų | 154.6 | 89% | 0.887 | 81% | 0.813 | S | S | * | * | trans | -53.4 | 112.2 | 168.1 | -93.6 | 176.8 | 177.7 | 165.9 | 0 | 107.2 | G463 K467 | G463-K465 PolarHBondContact O-N 3.31Å; K465-K467 PolarHBondContact O-N 2.97Å | ||
| 466 | K | 25.6 | Very low | 29.3 | Very low | 201 Ų | 201 | 154.7 Ų | 154.7 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | trans | -39.4 | 118.4 | 157.6 | -97.9 | 177.8 | 173.4 | 173.5 | 0 | 107.8 | P464 K468 | P464-K466 PolarHBondContact O-N 3.34Å; K466-K468 VanDerWaalsContact C-N 3.33Å; K466-K468 PolarHBondContact O-N 3.45Å | ||
| 467 | K | 25 | Very low | 28.8 | Very low | 210 Ų | 210 | 157.8 Ų | 157.8 | 91% | 0.913 | 83% | 0.825 | S | S | * | * | trans | -49.8 | 99 | 166.8 | -87.5 | 178 | 174.7 | 170.9 | 0 | 107.9 | K465 G469 | K465-K467 PolarHBondContact O-N 2.97Å; K467-G469 PolarHBondContact O-N 3.46Å | ||
| 468 | K | 24.1 | Very low | 29.2 | Very low | 204 Ų | 204 | 157.9 Ų | 157.9 | 89% | 0.887 | 83% | 0.825 | S | S | * | * | trans | -62.6 | 122.3 | 157.9 | -93.2 | -178.2 | 174.2 | 176.4 | 0 | 105.6 | K466 S470 | K466-K468 VanDerWaalsContact C-N 3.33Å; K466-K468 PolarHBondContact O-N 3.45Å; K468-S470 PolarHBondContact O-N 3.41Å | ||
| 469 | G | 28.5 | Very low | 29.7 | Very low | 72 Ų | 72 | 157.2 Ų | 157.2 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | trans | -44.6 | 127.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | K467 K471 | K467-G469 PolarHBondContact O-N 3.46Å; G469-K471 PolarHBondContact O-N 3.07Å | ||
| 470 | S | 25.3 | Very low | 30 | Very low | 113 Ų | 113 | 163 Ų | 163 | 79% | 0.79 | 82% | 0.817 | S | S | * | * | trans | -61.7 | 106.6 | 169.1 | 68 | 0 | 0 | 0 | 0 | 107.1 | K468 G472 | K468-S470 PolarHBondContact O-N 3.41Å; S470-G472 PolarHBondContact O-N 2.94Å | ||
| 471 | K | 26.3 | Very low | 31.2 | Very low | 205 Ų | 205 | 155.8 Ų | 155.8 | 89% | 0.891 | 79% | 0.788 | S | S | * | * | trans | -42.6 | 126.9 | 157.4 | -97.4 | 175.6 | 172 | 173.3 | 0 | 107.8 | G469 G473 | G469-K471 PolarHBondContact O-N 3.07Å; K471-G473 PolarHBondContact O-N 3.49Å | ||
| 472 | G | 29.2 | Very low | 32.3 | Very low | 75 Ų | 75 | 151.8 Ų | 151.8 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | trans | -39.8 | 106.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S470 K474 | S470-G472 PolarHBondContact O-N 2.94Å; G472-K474 PolarHBondContact O-N 3.43Å | ||
| 473 | G | 27.1 | Very low | 34 | Very low | 67 Ų | 67 | 142.4 Ų | 142.4 | 69% | 0.691 | 73% | 0.732 | S | S | * | * | trans | -54.6 | 112.7 | 156.8 | 0 | 0 | 0 | 0 | 0 | 106 | K471 K475 | K471-G473 PolarHBondContact O-N 3.49Å; G473-K475 PolarHBondContact O-N 3.42Å | ||
| 474 | K | 29.5 | Very low | 35.4 | Very low | 208 Ų | 208 | 143.8 Ų | 143.8 | 90% | 0.904 | 73% | 0.731 | S | S | * | * | trans | -36.6 | 104.1 | 171.5 | -150.7 | 173.8 | -168.9 | 174 | 0 | 106.5 | G472 K476 | G472-K474 PolarHBondContact O-N 3.43Å; K474-K476 VanDerWaalsContact C-N 3.28Å; K474-K476 PolarHBondContact O-N 3.33Å | ||
| 475 | K | 27.7 | Very low | 36.8 | Very low | 200 Ų | 200 | 145 Ų | 145 | 87% | 0.87 | 73% | 0.731 | S | S | * | * | trans | -50.6 | 102.5 | 175.1 | -114.9 | 177.3 | 178.7 | 174.5 | 0 | 104.1 | G473 K477 | G473-K475 PolarHBondContact O-N 3.42Å; K475-K477 PolarHBondContact O-N 2.59Å | ||
| 476 | K | 33 | Very low | 38.6 | Very low | 196 Ų | 196 | 140.7 Ų | 140.7 | 85% | 0.852 | 71% | 0.708 | S | S | * | * | trans | -46.8 | 119.1 | 154 | -98.6 | -178.4 | 177.1 | 174.9 | 0 | 102 | K474 K478 | K474-K476 VanDerWaalsContact C-N 3.28Å; K474-K476 PolarHBondContact O-N 3.33Å; K476-K478 PolarHBondContact O-N 2.84Å | ||
| 477 | K | 31.9 | Very low | 41 | Very low | 208 Ų | 208 | 135.5 Ų | 135.5 | 90% | 0.904 | 69% | 0.694 | S | S | * | * | trans | -59.1 | 77.8 | -172.8 | -153.2 | 179.3 | -170.7 | -179.2 | 0 | 107 | K475 E479 | K475-K477 PolarHBondContact O-N 2.59Å; K477-E479 PolarHBondContact O-N 2.84Å | ||
| 478 | K | 40.8 | Very low | 43.2 | Very low | 193 Ų | 193 | 128 Ų | 128 | 84% | 0.839 | 66% | 0.664 | S | S | * | * | trans | -56 | 125.2 | 166.5 | -85.1 | -172.2 | 175.4 | -175.5 | 0 | 102.7 | K476 K480 | K476-K478 PolarHBondContact O-N 2.84Å; K478-K480 PolarHBondContact O-N 3.21Å | ||
| 479 | E | 44.8 | Very low | 45.6 | Very low | 93 Ų | 93 | 123.7 Ų | 123.7 | 44% | 0.435 | 65% | 0.646 | S | S | . | * | trans | -41.6 | 132.6 | -179.9 | -72.7 | 168.8 | 159.6 | 0 | 0 | 108.5 | K477 D481 L661 | K477-E479 PolarHBondContact O-N 2.84Å; E479-D481 PolarHBondContact O-N 3.31Å; E479-L661 WeakPolarHBondContact OE1-CD1 3.31Å; E479-L661 WeakPolarHBondContact OE1-CD2 3.39Å | ||
| 480 | K | 42.9 | Very low | 48.1 | Very low | 193 Ų | 193 | 122.3 Ų | 122.3 | 84% | 0.839 | 63% | 0.626 | S | S | * | * | trans | -66.7 | 92.7 | 168.9 | -170.1 | 178.2 | -177.5 | -176.3 | 0 | 104.3 | K478 L482 | K478-K480 PolarHBondContact O-N 3.21Å; K480-L482 PolarHBondContact O-N 3.34Å; K480-L482 VanDerWaalsContact O-N 3.11Å | ||
| 481 | D | 54.2 | Low | 50.6 | Low | 52 Ų | 52 | 117 Ų | 117 | 28% | 0.278 | 59% | 0.588 | S | S | . | * | trans | -52.4 | 120.7 | 173.3 | -168 | -18.2 | 0 | 0 | 0 | 105.8 | E479 T483 P484 H612 K616 | E479-D481 PolarHBondContact O-N 3.31Å; D481-T483 PolarHBondContact O-N 3.17Å; D481-T483 PolarHBondContact OD1-N 3.48Å; D481-T483 PolarHBondContact OD1-OG1 2.97Å; D481-P484 HydrophobicContact CB-CB 4.43Å; D481-P484 WeakPolarHBondContact O-CD 3.35Å; D481-H612 IonicContact OD1-CD2 2.83Å; D481-H612 IonicContact OD1-CE1 3.28Å; D481-H612 IonicContact OD1-NE2 3.16Å; D481-H612 PolarHBondContact OD1-NE2 2.96Å; D481-K616 IonicContact OD1-NZ 2.64Å; D481-K616 PolarHBondContact OD1-NZ 2.83Å; D481-K616 WeakPolarHBondContact OD2-CE 3.27Å; D481-K616 IonicContact OD2-NZ 3.07Å; D481-K616 PolarHBondContact OD2-NZ 2.91Å | ||
| 482 | L | 57.6 | Low | 52.9 | Low | 105 Ų | 105 | 107.4 Ų | 107.4 | 55% | 0.55 | 55% | 0.547 | S | S | . | . | S | Bend | trans | -77.8 | -5 | 178.5 | -71.7 | 106.8 | 0 | 0 | 0 | 111.4 | K480 H612 | K480-L482 PolarHBondContact O-N 3.34Å; K480-L482 VanDerWaalsContact O-N 3.11Å; L482-H612 HydrophobicContact CD1-CB 4.24Å; L482-H612 PolarHBondContact N-NE2 3.01Å |
| 483 | T | 61.3 | Low | 55.2 | Low | 5 Ų | 5 | 108 Ų | 108 | 3% | 0.031 | 53% | 0.53 | C | S | . | . | trans | -138.7 | 50.1 | -176.4 | 55 | 0 | 0 | 0 | 0 | 113 | D481 D485 L491 M613 K616 | D481-T483 PolarHBondContact O-N 3.17Å; D481-T483 PolarHBondContact OD1-N 3.48Å; D481-T483 PolarHBondContact OD1-OG1 2.97Å; T483-D485 VanDerWaalsContact C-N 3.26Å; T483-D485 PolarHBondContact O-N 3.42Å; T483-L491 HydrophobicContact CG2-CD2 4.37Å; T483-M613 HydrophobicContact CG2-CG 4.18Å; T483-K616 PolarHBondContact O-NZ 3.19Å; T483-K616 PolarHBondContact OG1-NZ 3.03Å | ||
| 484 | P | 57.4 | Low | 57.8 | Low | 84 Ų | 84 | 106.6 Ų | 106.6 | 55% | 0.545 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -26.1 | -177.3 | 28.7 | -30.9 | 0 | 0 | 0 | 112.5 | D481 | D481-P484 HydrophobicContact CB-CB 4.43Å; D481-P484 WeakPolarHBondContact O-CD 3.35Å |
| 485 | D | 56.3 | Low | 60.3 | Low | 158 Ų | 158 | 96.7 Ų | 96.7 | 85% | 0.845 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | 9.3 | -172.3 | -50.3 | -45.3 | 0 | 0 | 0 | 114.2 | T483 | T483-D485 VanDerWaalsContact C-N 3.26Å; T483-D485 PolarHBondContact O-N 3.42Å |
| 486 | R | 63.1 | Low | 62.8 | Low | 112 Ų | 112 | 87.8 Ų | 87.8 | 42% | 0.423 | 42% | 0.424 | S | S | . | . | trans | -112.1 | 137.3 | -176.5 | -65.3 | -172.2 | -179.1 | -174.2 | -2.1 | 112.5 | L491 E494 | R486-L491 HydrophobicContact CB-CD2 4.29Å; R486-L491 HydrophobicContact CB-CG 4.31Å; R486-E494 IonicContact NH1-OE2 2.73Å; R486-E494 PolarHBondContact NH1-OE2 2.82Å | ||
| 487 | T | 74.2 | Confident | 65 | Low | 92 Ų | 92 | 85 Ų | 85 | 56% | 0.564 | 42% | 0.415 | S | S | * | . | trans | -72.1 | 155.1 | 175.9 | 56.7 | 0 | 0 | 0 | 0 | 111.6 | E489 S490 L491 | T487-E489 VanDerWaalsContact C-N 3.28Å; T487-E489 PolarHBondContact O-N 2.98Å; T487-S490 PolarHBondContact O-N 3.44Å; T487-L491 PolarHBondContact O-N 2.79Å | ||
| 488 | L | 71.7 | Confident | 67.2 | Low | 54 Ų | 54 | 78.2 Ų | 78.2 | 28% | 0.283 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.7 | -38.4 | 179.8 | 175.8 | 60.6 | 0 | 0 | 0 | 112.1 | L491 C492 V617 L620 L621 | L488-L491 PolarHBondContact O-N 3.47Å; L488-C492 PolarHBondContact O-N 2.81Å; L488-C492 PolarHBondContact O-SG 3.47Å; L488-V617 HydrophobicContact CD1-CG1 4.2Å; L488-V617 HydrophobicContact CD1-CG2 4.29Å; L488-L620 HydrophobicContact CD1-CB 4.04Å; L488-L620 HydrophobicContact CD1-CD1 3.78Å; L488-L620 HydrophobicContact CD2-CB 4.36Å; L488-L621 HydrophobicContact CD2-CD2 4.2Å |
| 489 | E | 74.3 | Confident | 68.9 | Low | 112 Ų | 112 | 70 Ų | 70 | 52% | 0.523 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60 | -50.4 | 177.8 | -74.6 | 162.6 | -170.7 | 0 | 0 | 111.8 | M138 T487 L491 C492 E493 | M138-E489 HydrophobicContact CE-CB 4.39Å; M138-E489 HydrophobicContact CE-CG 3.21Å; T487-E489 VanDerWaalsContact C-N 3.28Å; T487-E489 PolarHBondContact O-N 2.98Å; E489-L491 VanDerWaalsContact C-N 3.29Å; E489-L491 PolarHBondContact O-N 3.3Å; E489-C492 PolarHBondContact O-N 3.35Å; E489-E493 WeakPolarHBondContact O-CG 2.96Å; E489-E493 PolarHBondContact O-N 3.37Å |
| 490 | S | 80.9 | Confident | 70.7 | Confident | 44 Ų | 44 | 65.7 Ų | 65.7 | 31% | 0.308 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.7 | -37.8 | 176.9 | 174.8 | 0 | 0 | 0 | 0 | 112.5 | T487 E494 | T487-S490 PolarHBondContact O-N 3.44Å; S490-E494 WeakPolarHBondContact O-CB 3.42Å; S490-E494 PolarHBondContact O-N 3.15Å |
| 491 | L | 78.3 | Confident | 72.7 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -68.1 | -37.5 | 174.9 | -67.6 | 175 | 0 | 0 | 0 | 112 | T483 R486 T487 L488 E489 L495 M613 K616 V617 | T483-L491 HydrophobicContact CG2-CD2 4.37Å; R486-L491 HydrophobicContact CB-CD2 4.29Å; R486-L491 HydrophobicContact CB-CG 4.31Å; T487-L491 PolarHBondContact O-N 2.79Å; L488-L491 PolarHBondContact O-N 3.47Å; E489-L491 VanDerWaalsContact C-N 3.29Å; E489-L491 PolarHBondContact O-N 3.3Å; L491-L495 WeakPolarHBondContact O-CB 3.23Å; L491-L495 VanDerWaalsContact O-CG 3.24Å; L491-L495 WeakPolarHBondContact O-CG 3.25Å; L491-L495 PolarHBondContact O-N 2.87Å; L491-L495 VanDerWaalsContact O-N 3.09Å; L491-M613 HydrophobicContact CD2-CE 3.74Å; L491-M613 HydrophobicContact CD2-CG 4.09Å; L491-M613 HydrophobicContact CD2-SD 4.46Å; L491-K616 HydrophobicContact CD1-CD 4.19Å; L491-V617 HydrophobicContact CB-CG2 3.76Å; L491-V617 HydrophobicContact CD1-CG2 4.32Å |
| 492 | C | 74.6 | Confident | 74.1 | Confident | 4 Ų | 4 | 58.4 Ų | 58.4 | 3% | 0.027 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.6 | -44.4 | 176.7 | -67 | 0 | 0 | 0 | 0 | 111.2 | L488 E489 E494 L495 V496 | L488-C492 PolarHBondContact O-N 2.81Å; L488-C492 PolarHBondContact O-SG 3.47Å; E489-C492 PolarHBondContact O-N 3.35Å; C492-E494 PolarHBondContact O-N 2.82Å; C492-L495 PolarHBondContact O-N 2.99Å; C492-V496 WeakPolarHBondContact O-CB 3.28Å; C492-V496 VanDerWaalsContact O-CG2 3.24Å; C492-V496 WeakPolarHBondContact O-CG2 3.32Å; C492-V496 PolarHBondContact O-N 2.91Å |
| 493 | E | 77.6 | Confident | 75.2 | Confident | 87 Ų | 87 | 61.1 Ų | 61.1 | 41% | 0.407 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -56.1 | -48.2 | 174.2 | -75.3 | 172 | -172.7 | 0 | 0 | 111.7 | V142 E489 L495 V496 Q497 | V142-E493 HydrophobicContact CG1-CB 4.32Å; V142-E493 HydrophobicContact CG1-CG 3.68Å; V142-E493 HydrophobicContact CG2-CG 4.37Å; E489-E493 WeakPolarHBondContact O-CG 2.96Å; E489-E493 PolarHBondContact O-N 3.37Å; E493-L495 PolarHBondContact O-N 2.84Å; E493-V496 PolarHBondContact O-N 3.03Å; E493-Q497 WeakPolarHBondContact O-CB 3.19Å; E493-Q497 VanDerWaalsContact O-CG 3.31Å; E493-Q497 WeakPolarHBondContact O-CG 3.13Å; E493-Q497 PolarHBondContact O-N 3.45Å |
| 494 | E | 81.1 | Confident | 76.2 | Confident | 37 Ų | 37 | 61.7 Ų | 61.7 | 17% | 0.173 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 178.6 | -165.8 | -179.3 | 158.4 | 0 | 0 | 111.2 | R486 S490 C492 V496 Q498 Y601 M613 | R486-E494 IonicContact NH1-OE2 2.73Å; R486-E494 PolarHBondContact NH1-OE2 2.82Å; S490-E494 WeakPolarHBondContact O-CB 3.42Å; S490-E494 PolarHBondContact O-N 3.15Å; C492-E494 PolarHBondContact O-N 2.82Å; E494-V496 VanDerWaalsContact C-N 3.34Å; E494-V496 PolarHBondContact O-N 2.66Å; E494-Q498 VanDerWaalsContact O-CB 3.31Å; E494-Q498 WeakPolarHBondContact O-CB 3.16Å; E494-Q498 WeakPolarHBondContact O-CG 3.27Å; E494-Q498 PolarHBondContact O-N 3.49Å; E494-Y601 VanDerWaalsContact CD-OH 3.31Å; E494-Y601 WeakPolarHBondContact CG-OH 3.36Å; E494-Y601 WeakPolarHBondContact OE1-CE1 3.11Å; E494-Y601 PolarHBondContact OE1-OH 2.78Å; E494-M613 HydrophobicContact CB-CE 4.13Å; E494-M613 VanDerWaalsContact CD-CE 3.42Å; E494-M613 HydrophobicContact CG-CE 4.04Å; E494-M613 WeakPolarHBondContact OE2-CE 3.33Å |
| 495 | L | 82.1 | Confident | 77.4 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -68.1 | -31.9 | 178.1 | -70.2 | 177.7 | 0 | 0 | 0 | 113.2 | L491 C492 E493 G499 L500 L501 F590 M613 V614 V617 | L491-L495 WeakPolarHBondContact O-CB 3.23Å; L491-L495 VanDerWaalsContact O-CG 3.24Å; L491-L495 WeakPolarHBondContact O-CG 3.25Å; L491-L495 PolarHBondContact O-N 2.87Å; L491-L495 VanDerWaalsContact O-N 3.09Å; C492-L495 PolarHBondContact O-N 2.99Å; E493-L495 PolarHBondContact O-N 2.84Å; L495-G499 PolarHBondContact O-N 3.08Å; L495-L500 HydrophobicContact CD2-CB 4.23Å; L495-L500 HydrophobicContact CD2-CD1 3.79Å; L495-L500 PolarHBondContact O-N 3.07Å; L495-L501 HydrophobicContact CB-CB 4.31Å; L495-L501 PolarHBondContact O-N 3.4Å; L495-F590 HydrophobicContact CD1-CE1 4.14Å; L495-M613 HydrophobicContact CD2-CB 4.45Å; L495-M613 HydrophobicContact CD2-CE 4.43Å; L495-V614 HydrophobicContact CD1-CG2 4.38Å; L495-V614 HydrophobicContact CD2-CG2 3.67Å; L495-V617 HydrophobicContact CD1-CB 3.89Å; L495-V617 HydrophobicContact CD1-CG1 4.2Å; L495-V617 HydrophobicContact CD1-CG2 3.71Å |
| 496 | V | 81.5 | Confident | 78.7 | Confident | 13 Ų | 13 | 61.5 Ų | 61.5 | 8% | 0.079 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -71.8 | -48.7 | 175.2 | 165.3 | 0 | 0 | 0 | 0 | 110.9 | V142 L143 A146 C492 E493 E494 Q498 G499 L501 | V142-V496 HydrophobicContact CG1-CB 4.26Å; V142-V496 HydrophobicContact CG1-CG1 4.49Å; V142-V496 HydrophobicContact CG1-CG2 4.07Å; L143-V496 HydrophobicContact CD2-CB 4.41Å; L143-V496 HydrophobicContact CD2-CG1 3.58Å; L143-V496 HydrophobicContact CD2-CG2 3.97Å; L143-V496 HydrophobicContact CG-CG1 4.24Å; L143-V496 HydrophobicContact CG-CG2 4.28Å; A146-V496 HydrophobicContact CB-CG1 3.61Å; C492-V496 WeakPolarHBondContact O-CB 3.28Å; C492-V496 VanDerWaalsContact O-CG2 3.24Å; C492-V496 WeakPolarHBondContact O-CG2 3.32Å; C492-V496 PolarHBondContact O-N 2.91Å; E493-V496 PolarHBondContact O-N 3.03Å; E494-V496 VanDerWaalsContact C-N 3.34Å; E494-V496 PolarHBondContact O-N 2.66Å; V496-Q498 PolarHBondContact O-N 3.21Å; V496-G499 WeakPolarHBondContact O-CA 3.48Å; V496-G499 PolarHBondContact O-N 3.09Å; V496-L501 HydrophobicContact CG2-CB 3.87Å; V496-L501 HydrophobicContact CG2-CD2 3.65Å; V496-L501 HydrophobicContact CG2-CG 4.15Å |
| 497 | Q | 77.7 | Confident | 79.8 | Confident | 139 Ų | 139 | 59.4 Ų | 59.4 | 65% | 0.65 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -57.8 | -37.5 | 175.1 | -73.9 | 176.8 | 4 | 0 | 0 | 111.5 | E493 G499 | E493-Q497 WeakPolarHBondContact O-CB 3.19Å; E493-Q497 VanDerWaalsContact O-CG 3.31Å; E493-Q497 WeakPolarHBondContact O-CG 3.13Å; E493-Q497 PolarHBondContact O-N 3.45Å; Q497-G499 PolarHBondContact O-N 3.22Å |
| 498 | Q | 78.6 | Confident | 80.4 | Confident | 64 Ų | 64 | 61.5 Ų | 61.5 | 30% | 0.299 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 4.1 | 174.9 | -62.9 | -61 | -33.4 | 0 | 0 | 113 | E494 V496 L500 K600 Y601 | E494-Q498 VanDerWaalsContact O-CB 3.31Å; E494-Q498 WeakPolarHBondContact O-CB 3.16Å; E494-Q498 WeakPolarHBondContact O-CG 3.27Å; E494-Q498 PolarHBondContact O-N 3.49Å; V496-Q498 PolarHBondContact O-N 3.21Å; Q498-L500 HydrophobicContact CB-CD1 4.38Å; Q498-L500 HydrophobicContact CB-CG 4.28Å; Q498-L500 PolarHBondContact O-N 3.03Å; Q498-L500 VanDerWaalsContact O-N 3.13Å; Q498-K600 HydrophobicContact CB-CD 4.31Å; Q498-K600 WeakPolarHBondContact O-CD 3.37Å; Q498-K600 VanDerWaalsContact O-CE 3.25Å; Q498-K600 WeakPolarHBondContact O-CE 3.27Å; Q498-K600 PolarHBondContact O-NZ 2.92Å; Q498-Y601 HydrophobicContact CG-CE2 3.99Å |
| 499 | G | 77.6 | Confident | 81.1 | Confident | 22 Ų | 22 | 59.1 Ų | 59.1 | 23% | 0.227 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | 21.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115 | L495 V496 Q497 K502 S596 | L495-G499 PolarHBondContact O-N 3.08Å; V496-G499 WeakPolarHBondContact O-CA 3.48Å; V496-G499 PolarHBondContact O-N 3.09Å; Q497-G499 PolarHBondContact O-N 3.22Å; G499-K502 VanDerWaalsContact O-CE 3.28Å; G499-K502 WeakPolarHBondContact O-CE 3.35Å; G499-S596 PolarHBondContact O-OG 2.64Å |
| 500 | L | 82.9 | Confident | 81.6 | Confident | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | trans | -88.8 | -29.2 | 177.4 | -63.5 | 177.1 | 0 | 0 | 0 | 111.5 | L495 Q498 F590 D591 L592 T597 M610 V614 | L495-L500 HydrophobicContact CD2-CB 4.23Å; L495-L500 HydrophobicContact CD2-CD1 3.79Å; L495-L500 PolarHBondContact O-N 3.07Å; Q498-L500 HydrophobicContact CB-CD1 4.38Å; Q498-L500 HydrophobicContact CB-CG 4.28Å; Q498-L500 PolarHBondContact O-N 3.03Å; Q498-L500 VanDerWaalsContact O-N 3.13Å; L500-F590 CarbonylContact O-C 3.59Å; L500-F590 VanDerWaalsContact O-CA 3.24Å; L500-F590 WeakPolarHBondContact O-CA 3.42Å; L500-D591 WeakPolarHBondContact CD2-O 3.33Å; L500-D591 PolarHBondContact O-N 3Å; L500-L592 HydrophobicContact CD2-CD2 4.25Å; L500-T597 HydrophobicContact CD2-CG2 4.18Å; L500-M610 HydrophobicContact CD1-CG 3.65Å; L500-M610 HydrophobicContact CD1-SD 3.84Å; L500-V614 HydrophobicContact CD1-CG2 4.2Å | ||
| 501 | L | 84.4 | Confident | 81.8 | Confident | 5 Ų | 5 | 60.2 Ų | 60.2 | 3% | 0.026 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 120.8 | 168.9 | -174.5 | 68.3 | 0 | 0 | 0 | 108.6 | V139 L495 V496 F590 | V139-L501 HydrophobicContact CG1-CD2 4Å; V139-L501 HydrophobicContact CG2-CD2 4.48Å; L495-L501 HydrophobicContact CB-CB 4.31Å; L495-L501 PolarHBondContact O-N 3.4Å; V496-L501 HydrophobicContact CG2-CB 3.87Å; V496-L501 HydrophobicContact CG2-CD2 3.65Å; V496-L501 HydrophobicContact CG2-CG 4.15Å; L501-F590 HydrophobicContact CD1-CD1 3.87Å; L501-F590 HydrophobicContact CD1-CE1 3.56Å; L501-F590 HydrophobicContact CD1-CE2 4.37Å; L501-F590 HydrophobicContact CD1-CG 4.42Å; L501-F590 HydrophobicContact CD1-CZ 3.83Å |
| 502 | K | 83.1 | Confident | 82.3 | Confident | 87 Ų | 87 | 60.7 Ų | 60.7 | 38% | 0.378 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 148.7 | -177.5 | -70.4 | -172.4 | 179.5 | 174.8 | 0 | 111.7 | G499 A504 M589 D591 | G499-K502 VanDerWaalsContact O-CE 3.28Å; G499-K502 WeakPolarHBondContact O-CE 3.35Å; K502-A504 PolarHBondContact O-N 3.39Å; K502-M589 PolarHBondContact N-O 3.43Å; K502-D591 HydrophobicContact CD-CB 3.84Å; K502-D591 WeakPolarHBondContact CE-OD2 3.43Å; K502-D591 HydrophobicContact CG-CB 4.28Å; K502-D591 IonicContact NZ-OD2 3.16Å; K502-D591 PolarHBondContact NZ-OD2 3.43Å |
| 503 | R | 80.6 | Confident | 82.8 | Confident | 162 Ų | 162 | 61.7 Ų | 61.7 | 61% | 0.611 | 29% | 0.287 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 126.2 | 169.9 | -173.6 | 174.5 | 176.9 | 177.5 | 2.2 | 110.2 | L143 | L143-R503 HydrophobicContact CD1-CB 4.31Š|
| 504 | A | 82.1 | Confident | 83 | Confident | 18 Ų | 18 | 58.2 Ų | 58.2 | 15% | 0.149 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 139.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | K502 C582 M589 | K502-A504 PolarHBondContact O-N 3.39Å; A504-C582 HydrophobicContact CB-CB 3.7Å; A504-M589 HydrophobicContact CB-CB 4.5Å; A504-M589 HydrophobicContact CB-CE 4.06Å |
| 505 | K | 83.3 | Confident | 83.1 | Confident | 126 Ų | 126 | 58.6 Ų | 58.6 | 55% | 0.548 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 145.8 | 174.3 | -65.3 | -178.3 | 177.9 | -176.9 | 0 | 110.1 | F507 H579 | K505-F507 VanDerWaalsContact C-N 3.34Å; K505-F507 HydrophobicContact CB-CD2 3.63Å; K505-F507 HydrophobicContact CB-CE2 3.49Å; K505-F507 VanDerWaalsContact CB-CE2 3.49Å; K505-F507 HydrophobicContact CD-CE2 3.8Å; K505-F507 HydrophobicContact CG-CE2 4.28Å; K505-F507 PolarHBondContact O-N 3.13Å; K505-H579 HydrophobicContact CB-CB 4.31Å; K505-H579 PolarHBondContact N-ND1 3.16Å |
| 506 | N | 83.6 | Confident | 83.2 | Confident | 112 Ų | 112 | 59 Ų | 59 | 60% | 0.599 | 28% | 0.28 | S | S | * | . | trans | -74.2 | 83.6 | 179.2 | -68.5 | -8.6 | 0 | 0 | 0 | 110.8 | ||||
| 507 | F | 85.5 | Confident | 83.1 | Confident | 67 Ų | 67 | 59.5 Ų | 59.5 | 29% | 0.294 | 28% | 0.281 | S | S | . | . | trans | -121 | 139.6 | 170 | -67.2 | -66.5 | 0 | 0 | 0 | 109.3 | K505 M576 H579 A580 Q583 | K505-F507 VanDerWaalsContact C-N 3.34Å; K505-F507 HydrophobicContact CB-CD2 3.63Å; K505-F507 HydrophobicContact CB-CE2 3.49Å; K505-F507 VanDerWaalsContact CB-CE2 3.49Å; K505-F507 HydrophobicContact CD-CE2 3.8Å; K505-F507 HydrophobicContact CG-CE2 4.28Å; K505-F507 PolarHBondContact O-N 3.13Å; F507-M576 HydrophobicContact CB-CG 4.24Å; F507-M576 HydrophobicContact CD1-CE 4.25Å; F507-M576 HydrophobicContact CD1-CG 4.22Å; F507-M576 HydrophobicContact CD2-CG 4.2Å; F507-M576 HydrophobicContact CG-CG 3.96Å; F507-H579 HydrophobicContact CD2-CB 3.98Å; F507-A580 HydrophobicContact CB-CB 4.41Å; F507-A580 WeakPolarHBondContact O-CA 3.31Å; F507-Q583 WeakPolarHBondContact O-CB 3.4Å | ||
| 508 | R | 86.2 | Confident | 83.2 | Confident | 136 Ų | 136 | 59.2 Ų | 59.2 | 51% | 0.513 | 28% | 0.275 | S | S | . | . | trans | -99.2 | 157.9 | 171.7 | -63.2 | -149.6 | -62.7 | -130.9 | 5.5 | 110.7 | Q510 D511 E584 | R508-Q510 PolarHBondContact O-N 3.48Å; R508-D511 PolarHBondContact N-OD2 2.96Å; R508-D511 WeakPolarHBondContact O-CB 3.45Å; R508-D511 PolarHBondContact O-N 3.46Å; R508-D511 VanDerWaalsContact O-N 3.08Å; R508-E584 WeakPolarHBondContact CA-OE1 3.3Å; R508-E584 WeakPolarHBondContact CB-OE1 3.31Å | ||
| 509 | M | 86.3 | Confident | 83.1 | Confident | 4 Ų | 4 | 61.3 Ų | 61.3 | 2% | 0.02 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -64 | -30.5 | 176 | -78.6 | -67.2 | -80.7 | 0 | 0 | 112.3 | I120 D511 F512 R538 L541 I546 L577 A580 E584 | I120-M509 HydrophobicContact CD1-CB 3.67Å; I120-M509 HydrophobicContact CD1-CG 3.83Å; M509-D511 PolarHBondContact O-N 3.46Å; M509-F512 WeakPolarHBondContact O-CB 3.46Å; M509-F512 PolarHBondContact O-N 3.07Å; M509-R538 HydrophobicContact CE-CG 3.74Å; M509-R538 VanDerWaalsContact O-CD 3.3Å; M509-R538 WeakPolarHBondContact O-CD 3.35Å; M509-L541 HydrophobicContact CE-CB 4Å; M509-I546 HydrophobicContact CE-CD1 3.96Å; M509-I546 HydrophobicContact CG-CD1 3.46Å; M509-I546 VanDerWaalsContact CG-CD1 3.46Å; M509-I546 HydrophobicContact SD-CD1 4.09Å; M509-L577 HydrophobicContact CE-CD2 4.42Å; M509-L577 HydrophobicContact SD-CD2 4.1Å; M509-A580 HydrophobicContact CG-CB 4.03Å; M509-A580 HydrophobicContact SD-CB 3.68Å; M509-E584 HydrophobicContact CB-CG 4.37Å; M509-E584 HydrophobicContact CG-CG 3.88Å; M509-E584 PolarHBondContact N-OE1 3.03Å |
| 510 | Q | 85.3 | Confident | 83.1 | Confident | 122 Ų | 122 | 60.2 Ų | 60.2 | 57% | 0.57 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -64.3 | -24.7 | 174.9 | -64.3 | 174.7 | 0.4 | 0 | 0 | 113.2 | R508 F512 | R508-Q510 PolarHBondContact O-N 3.48Å; Q510-F512 PolarHBondContact O-N 3.24Å |
| 511 | D | 85.5 | Confident | 82.7 | Confident | 57 Ų | 57 | 61 Ų | 61 | 31% | 0.305 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -70.9 | -18.4 | 174.7 | -70.2 | -58.3 | 0 | 0 | 0 | 112 | R508 M509 L513 M576 K713 | R508-D511 PolarHBondContact N-OD2 2.96Å; R508-D511 WeakPolarHBondContact O-CB 3.45Å; R508-D511 PolarHBondContact O-N 3.46Å; R508-D511 VanDerWaalsContact O-N 3.08Å; M509-D511 PolarHBondContact O-N 3.46Å; D511-L513 PolarHBondContact O-N 3.05Å; D511-L513 VanDerWaalsContact O-N 3.13Å; D511-M576 HydrophobicContact CB-CE 3.49Å; D511-M576 VanDerWaalsContact CB-CE 3.49Å; D511-M576 WeakPolarHBondContact O-CE 3.5Å; D511-K713 IonicContact OD1-NZ 2.74Å; D511-K713 PolarHBondContact OD1-NZ 3.09Å |
| 512 | F | 88 | Confident | 82.5 | Confident | 12 Ų | 12 | 63.8 Ų | 63.8 | 5% | 0.053 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -79.1 | 95 | 172.8 | -166.8 | -103.4 | 0 | 0 | 0 | 109.5 | M509 Q510 L534 R538 M576 L577 | M509-F512 WeakPolarHBondContact O-CB 3.46Å; M509-F512 PolarHBondContact O-N 3.07Å; Q510-F512 PolarHBondContact O-N 3.24Å; F512-L534 HydrophobicContact CE1-CB 3.89Å; F512-L534 HydrophobicContact CE1-CD2 4.29Å; F512-L534 WeakPolarHBondContact CE1-O 3.3Å; F512-L534 HydrophobicContact CZ-CB 4.4Å; F512-L534 HydrophobicContact CZ-CD2 4.02Å; F512-R538 HydrophobicContact CD1-CB 4.32Å; F512-R538 PolarHBondContact O-NH1 2.89Å; F512-M576 HydrophobicContact CB-CE 4.48Å; F512-L577 HydrophobicContact CB-CD2 4.08Å; F512-L577 HydrophobicContact CD1-CD2 3.89Å; F512-L577 HydrophobicContact CD2-CD1 4.43Å; F512-L577 HydrophobicContact CD2-CD2 3.74Å; F512-L577 HydrophobicContact CD2-CG 3.99Å; F512-L577 HydrophobicContact CE1-CD1 4.4Å; F512-L577 HydrophobicContact CE1-CD2 4.21Å; F512-L577 HydrophobicContact CE2-CD1 3.94Å; F512-L577 HydrophobicContact CE2-CD2 4.09Å; F512-L577 HydrophobicContact CE2-CG 3.98Å; F512-L577 HydrophobicContact CG-CD2 3.63Å; F512-L577 HydrophobicContact CG-CG 4.38Å; F512-L577 HydrophobicContact CZ-CD1 3.92Å; F512-L577 HydrophobicContact CZ-CD2 4.3Å; F512-L577 HydrophobicContact CZ-CG 4.36Å |
| 513 | L | 85.4 | Confident | 82.3 | Confident | 25 Ų | 25 | 62.1 Ų | 62.1 | 13% | 0.131 | 29% | 0.294 | C | S | . | . | trans | -81.1 | 133.4 | -174.2 | -56.9 | 177 | 0 | 0 | 0 | 111.5 | D511 L534 I705 L706 K709 | D511-L513 PolarHBondContact O-N 3.05Å; D511-L513 VanDerWaalsContact O-N 3.13Å; L513-L534 WeakPolarHBondContact O-CD1 3.25Å; L513-I705 HydrophobicContact CB-CG2 4.39Å; L513-L706 HydrophobicContact CB-CD2 3.81Å; L513-L706 HydrophobicContact CB-CG 4.31Å; L513-L706 HydrophobicContact CD1-CD2 4.19Å; L513-L706 HydrophobicContact CG-CD2 4.5Å; L513-K709 HydrophobicContact CD1-CB 3.49Å; L513-K709 VanDerWaalsContact CD1-CB 3.49Å; L513-K709 HydrophobicContact CD1-CD 3.66Å; L513-K709 HydrophobicContact CD1-CG 4.17Å; L513-K709 HydrophobicContact CD2-CD 3.5Å; L513-K709 HydrophobicContact CG-CD 4.18Å | ||
| 514 | G | 82.8 | Confident | 82.1 | Confident | 13 Ų | 13 | 57 Ų | 57 | 13% | 0.134 | 28% | 0.275 | C | S | . | . | trans | -165.2 | 153.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 515 | D | 83.5 | Confident | 81.7 | Confident | 45 Ų | 45 | 62.2 Ų | 62.2 | 24% | 0.241 | 30% | 0.296 | C | S | . | . | trans | -100.9 | 167.2 | 173.8 | -158.2 | 2.8 | 0 | 0 | 0 | 111 | S533 L535 S702 I705 | D515-S533 WeakPolarHBondContact O-CB 3.4Å; D515-S533 PolarHBondContact O-OG 3.47Å; D515-L535 VanDerWaalsContact O-CB 3.29Å; D515-L535 WeakPolarHBondContact O-CB 3.39Å; D515-S702 PolarHBondContact N-OG 3.33Å; D515-I705 HydrophobicContact CB-CD1 3.75Å | ||
| 516 | Y | 82.9 | Confident | 81.4 | Confident | 10 Ų | 10 | 61.6 Ų | 61.6 | 4% | 0.039 | 30% | 0.299 | C | S | . | . | trans | -81.4 | 148.6 | 174 | -177.6 | -99.7 | 0 | 0 | 0 | 111.8 | D103 P113 L116 Y518 L535 | D103-Y516 WeakPolarHBondContact OD1-CE1 3.49Å; D103-Y516 VanDerWaalsContact OD1-CZ 3.22Å; D103-Y516 PolarHBondContact OD1-OH 2.99Å; P113-Y516 HydrophobicContact CB-CD1 3.69Å; P113-Y516 HydrophobicContact CB-CD2 3.95Å; P113-Y516 HydrophobicContact CB-CE1 4.27Å; P113-Y516 HydrophobicContact CB-CE2 4.5Å; P113-Y516 HydrophobicContact CB-CG 3.49Å; P113-Y516 VanDerWaalsContact CB-CG 3.49Å; P113-Y516 HydrophobicContact CG-CD1 3.69Å; P113-Y516 HydrophobicContact CG-CE1 4.14Å; P113-Y516 HydrophobicContact CG-CG 4.04Å; L116-Y516 HydrophobicContact CD1-CE2 4.2Å; Y516-Y518 HydrophobicContact CD1-CD1 4.07Å; Y516-Y518 HydrophobicContact CD1-CE1 4.22Å; Y516-Y518 HydrophobicContact CD1-CG 4.26Å; Y516-Y518 WeakPolarHBondContact O-CD2 3.33Å; Y516-Y518 WeakPolarHBondContact O-CE2 3.28Å; Y516-Y518 PolarHBondContact O-N 3.3Å; Y516-L535 HydrophobicContact CD2-CD2 4.13Å; Y516-L535 HydrophobicContact CG-CD2 4.46Å | ||
| 517 | N | 80.8 | Confident | 80.8 | Confident | 22 Ų | 22 | 63.8 Ų | 63.8 | 12% | 0.118 | 31% | 0.311 | C | S | . | . | trans | -86.4 | 93.1 | 175.5 | -174 | -0.7 | 0 | 0 | 0 | 111.7 | Y101 L519 G520 M531 | Y101-N517 HydrophobicContact CE1-CB 3.98Å; N517-L519 PolarHBondContact O-N 3.41Å; N517-L519 PolarHBondContact OD1-N 2.88Å; N517-L519 VanDerWaalsContact OD1-N 3.1Å; N517-G520 PolarHBondContact O-N 2.78Å; N517-G520 PolarHBondContact OD1-N 2.99Å; N517-M531 PolarHBondContact ND2-O 3.2Å | ||
| 518 | Y | 78.8 | Confident | 80.3 | Confident | 133 Ų | 133 | 65.4 Ų | 65.4 | 52% | 0.522 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -15 | 179.3 | -61 | -84.9 | 0 | 0 | 0 | 115.2 | P113 Y516 | P113-Y518 HydrophobicContact CG-CD1 4.41Å; P113-Y518 HydrophobicContact CG-CE1 3.69Å; Y516-Y518 HydrophobicContact CD1-CD1 4.07Å; Y516-Y518 HydrophobicContact CD1-CE1 4.22Å; Y516-Y518 HydrophobicContact CD1-CG 4.26Å; Y516-Y518 WeakPolarHBondContact O-CD2 3.33Å; Y516-Y518 WeakPolarHBondContact O-CE2 3.28Å; Y516-Y518 PolarHBondContact O-N 3.3Å |
| 519 | L | 76.8 | Confident | 79.6 | Confident | 108 Ų | 108 | 62.3 Ų | 62.3 | 57% | 0.565 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -3.7 | 179.8 | -66.1 | 174.1 | 0 | 0 | 0 | 112.4 | N517 T521 T522 L523 | N517-L519 PolarHBondContact O-N 3.41Å; N517-L519 PolarHBondContact OD1-N 2.88Å; N517-L519 VanDerWaalsContact OD1-N 3.1Å; L519-T521 PolarHBondContact O-N 2.88Å; L519-T522 PolarHBondContact O-N 3.4Å; L519-T522 PolarHBondContact O-OG1 3.46Å; L519-L523 HydrophobicContact CB-CD1 4.18Å; L519-L523 HydrophobicContact CB-CG 4.47Å; L519-L523 WeakPolarHBondContact O-CG 3.34Å; L519-L523 PolarHBondContact O-N 3.04Å |
| 520 | G | 76.5 | Confident | 79.2 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56 | -45.9 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | N517 L523 R524 | N517-G520 PolarHBondContact O-N 2.78Å; N517-G520 PolarHBondContact OD1-N 2.99Å; G520-L523 PolarHBondContact O-N 2.68Å; G520-R524 PolarHBondContact O-N 3.13Å; G520-R524 VanDerWaalsContact O-N 3.17Å |
| 521 | T | 76.4 | Confident | 78.9 | Confident | 17 Ų | 17 | 58.4 Ų | 58.4 | 10% | 0.104 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68.9 | -40.9 | -178.5 | -47.2 | 0 | 0 | 0 | 0 | 111.8 | D103 L519 L523 R524 Q525 | D103-T521 VanDerWaalsContact CB-OG1 3.3Å; D103-T521 WeakPolarHBondContact CB-OG1 3.5Å; D103-T521 VanDerWaalsContact OD2-CB 3.29Å; D103-T521 WeakPolarHBondContact OD2-CB 3.47Å; D103-T521 PolarHBondContact OD2-N 3.4Å; D103-T521 PolarHBondContact OD2-OG1 2.95Å; L519-T521 PolarHBondContact O-N 2.88Å; T521-L523 VanDerWaalsContact C-N 3.34Å; T521-L523 PolarHBondContact O-N 2.85Å; T521-R524 PolarHBondContact O-N 3.48Å; T521-Q525 WeakPolarHBondContact O-CG 3.49Å; T521-Q525 PolarHBondContact O-N 3.06Å; T521-Q525 VanDerWaalsContact O-N 3.08Å |
| 522 | T | 78.8 | Confident | 78.9 | Confident | 63 Ų | 63 | 56 Ų | 56 | 39% | 0.387 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.5 | -35.4 | 177.6 | 64.7 | 0 | 0 | 0 | 0 | 113 | L519 N526 | L519-T522 PolarHBondContact O-N 3.4Å; L519-T522 PolarHBondContact O-OG1 3.46Å; T522-N526 PolarHBondContact O-N 2.86Å; T522-N526 PolarHBondContact O-ND2 3.26Å |
| 523 | L | 78.4 | Confident | 78.8 | Confident | 53 Ų | 53 | 55.4 Ų | 55.4 | 28% | 0.277 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -69.9 | -40.9 | 177.5 | -71.2 | 170.4 | 0 | 0 | 0 | 111.1 | L519 G520 T521 Q525 N526 D527 I528 P530 | L519-L523 HydrophobicContact CB-CD1 4.18Å; L519-L523 HydrophobicContact CB-CG 4.47Å; L519-L523 WeakPolarHBondContact O-CG 3.34Å; L519-L523 PolarHBondContact O-N 3.04Å; G520-L523 PolarHBondContact O-N 2.68Å; T521-L523 VanDerWaalsContact C-N 3.34Å; T521-L523 PolarHBondContact O-N 2.85Å; L523-Q525 VanDerWaalsContact C-N 3.34Å; L523-Q525 PolarHBondContact O-N 2.73Å; L523-N526 CarbonylContact O-C 3.56Å; L523-N526 WeakPolarHBondContact O-CA 3.41Å; L523-N526 PolarHBondContact O-N 3.48Å; L523-N526 VanDerWaalsContact O-N 3.07Å; L523-D527 PolarHBondContact O-N 2.72Å; L523-I528 CarbonylContact C-O 3.13Å; L523-I528 PolarHBondContact O-N 2.92Å; L523-P530 HydrophobicContact CB-CB 4.18Å; L523-P530 HydrophobicContact CB-CG 4.5Å; L523-P530 HydrophobicContact CD1-CB 3.78Å |
| 524 | R | 76.4 | Confident | 78.8 | Confident | 53 Ų | 53 | 54.4 Ų | 54.4 | 20% | 0.2 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.9 | -36.4 | 175.2 | -79 | -168.4 | 170 | -179.3 | 3.8 | 113.5 | E95 S97 Y99 G520 T521 N526 D527 I528 E529 P530 | E95-R524 IonicContact OE2-NH1 3.91Å; E95-R524 PolarHBondContact OE2-NH1 3.06Å; S97-R524 PolarHBondContact OG-NH2 3.33Å; Y99-R524 PolarHBondContact O-NH2 3Å; G520-R524 PolarHBondContact O-N 3.13Å; G520-R524 VanDerWaalsContact O-N 3.17Å; T521-R524 PolarHBondContact O-N 3.48Å; R524-N526 PolarHBondContact O-N 3.47Å; R524-D527 PolarHBondContact O-N 2.72Å; R524-D527 VanDerWaalsContact O-N 3.07Å; R524-I528 PolarHBondContact N-O 3.03Å; R524-E529 IonicContact CZ-OE2 3.11Å; R524-E529 IonicContact NE-OE2 2.66Å; R524-E529 PolarHBondContact NE-OE2 3.25Å; R524-E529 IonicContact NH2-OE1 3.34Å; R524-E529 PolarHBondContact NH2-OE1 2.94Å; R524-E529 IonicContact NH2-OE2 2.72Å; R524-P530 HydrophobicContact CG-CG 4.34Å |
| 525 | Q | 75.4 | Confident | 79 | Confident | 128 Ų | 128 | 54.3 Ų | 54.3 | 60% | 0.598 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -63.2 | -25 | 174.2 | -72.5 | 173.2 | 0.4 | 0 | 0 | 112.5 | T521 L523 D527 | T521-Q525 WeakPolarHBondContact O-CG 3.49Å; T521-Q525 PolarHBondContact O-N 3.06Å; T521-Q525 VanDerWaalsContact O-N 3.08Å; L523-Q525 VanDerWaalsContact C-N 3.34Å; L523-Q525 PolarHBondContact O-N 2.73Å; Q525-D527 VanDerWaalsContact C-N 3.34Å |
| 526 | N | 75.2 | Confident | 79.2 | Confident | 113 Ų | 113 | 52.5 Ų | 52.5 | 60% | 0.604 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 16.4 | 175 | -66.4 | -48.5 | 0 | 0 | 0 | 113.1 | T522 L523 R524 I528 | T522-N526 PolarHBondContact O-N 2.86Å; T522-N526 PolarHBondContact O-ND2 3.26Å; L523-N526 CarbonylContact O-C 3.56Å; L523-N526 WeakPolarHBondContact O-CA 3.41Å; L523-N526 PolarHBondContact O-N 3.48Å; L523-N526 VanDerWaalsContact O-N 3.07Å; R524-N526 PolarHBondContact O-N 3.47Å; N526-I528 PolarHBondContact O-N 3.43Å; N526-I528 VanDerWaalsContact O-N 3.08Å |
| 527 | D | 71.8 | Confident | 79.5 | Confident | 159 Ų | 159 | 52 Ų | 52 | 85% | 0.85 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 17.6 | -177.2 | -62.6 | -49.4 | 0 | 0 | 0 | 115 | L523 R524 Q525 | L523-D527 PolarHBondContact O-N 2.72Å; R524-D527 PolarHBondContact O-N 2.72Å; R524-D527 VanDerWaalsContact O-N 3.07Å; Q525-D527 VanDerWaalsContact C-N 3.34Å |
| 528 | I | 75.6 | Confident | 80 | Confident | 101 Ų | 101 | 52.2 Ų | 52.2 | 52% | 0.518 | 26% | 0.259 | S | S | . | . | trans | -98.6 | 117.7 | 174.1 | -60.9 | 171.5 | 0 | 0 | 0 | 108.2 | L523 R524 N526 P530 | L523-I528 CarbonylContact C-O 3.13Å; L523-I528 PolarHBondContact O-N 2.92Å; R524-I528 PolarHBondContact N-O 3.03Å; N526-I528 PolarHBondContact O-N 3.43Å; N526-I528 VanDerWaalsContact O-N 3.08Å; I528-P530 WeakPolarHBondContact O-CD 3.49Å | ||
| 529 | E | 70.3 | Confident | 80.5 | Confident | 70 Ų | 70 | 47 Ų | 47 | 33% | 0.327 | 24% | 0.239 | S | C | . | . | trans | -72.1 | 115.7 | 174.7 | -177.9 | 72.7 | 162.2 | 0 | 0 | 109.8 | S97 R524 R796 | S97-E529 PolarHBondContact OG-OE1 3.21Å; R524-E529 IonicContact CZ-OE2 3.11Å; R524-E529 IonicContact NE-OE2 2.66Å; R524-E529 PolarHBondContact NE-OE2 3.25Å; R524-E529 IonicContact NH2-OE1 3.34Å; R524-E529 PolarHBondContact NH2-OE1 2.94Å; R524-E529 IonicContact NH2-OE2 2.72Å; E529-R796 VanDerWaalsContact CD-NH1 3.31Å; E529-R796 IonicContact OE1-NH1 2.68Å; E529-R796 PolarHBondContact OE1-NH1 2.91Å | ||
| 530 | P | 77.8 | Confident | 81.1 | Confident | 8 Ų | 8 | 42 Ų | 42 | 5% | 0.052 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -68.5 | 148.2 | 176.8 | 30.5 | -37.8 | 0 | 0 | 0 | 110.9 | Y101 L523 R524 I528 | Y101-P530 HydrophobicContact CD2-CG 3.91Å; Y101-P530 HydrophobicContact CE1-CG 4.47Å; Y101-P530 HydrophobicContact CE2-CB 4.33Å; Y101-P530 HydrophobicContact CE2-CG 3.18Å; L523-P530 HydrophobicContact CB-CB 4.18Å; L523-P530 HydrophobicContact CB-CG 4.5Å; L523-P530 HydrophobicContact CD1-CB 3.78Å; R524-P530 HydrophobicContact CG-CG 4.34Å; I528-P530 WeakPolarHBondContact O-CD 3.49Å |
| 531 | M | 79.9 | Confident | 81.8 | Confident | 37 Ų | 37 | 42 Ų | 42 | 18% | 0.182 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -67.9 | 140.9 | 167.6 | -67.2 | -62.1 | -75 | 0 | 0 | 109.4 | Y101 N517 L694 P696 K784 | Y101-M531 PolarHBondContact OH-O 3.21Å; N517-M531 PolarHBondContact ND2-O 3.2Å; M531-L694 HydrophobicContact CE-CD2 3.83Å; M531-L694 HydrophobicContact SD-CD2 4.5Å; M531-P696 HydrophobicContact CE-CB 3.72Å; M531-P696 HydrophobicContact CE-CG 4.48Å; M531-K784 HydrophobicContact CE-CG 4.31Å; M531-K784 HydrophobicContact SD-CD 4.08Å; M531-K784 WeakPolarHBondContact SD-CE 3.41Å; M531-K784 HydrophobicContact SD-CG 3.88Å |
| 532 | P | 84.6 | Confident | 82.6 | Confident | 5 Ų | 5 | 41.5 Ų | 41.5 | 3% | 0.032 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -68.1 | 143.6 | 179.9 | 28.3 | -34.8 | 0 | 0 | 0 | 111.1 | Y99 L694 P696 | Y99-P532 HydrophobicContact CD1-CB 3.66Å; Y99-P532 HydrophobicContact CD2-CB 3.54Å; Y99-P532 HydrophobicContact CD2-CG 3.92Å; Y99-P532 HydrophobicContact CE1-CB 3.58Å; Y99-P532 HydrophobicContact CE1-CG 4.27Å; Y99-P532 HydrophobicContact CE2-CB 3.44Å; Y99-P532 VanDerWaalsContact CE2-CB 3.44Å; Y99-P532 HydrophobicContact CE2-CG 3.44Å; Y99-P532 VanDerWaalsContact CE2-CG 3.44Å; Y99-P532 HydrophobicContact CG-CB 3.62Å; Y99-P532 HydrophobicContact CG-CG 4.48Å; Y99-P532 VanDerWaalsContact CZ-CB 3.44Å; P532-L694 WeakPolarHBondContact CG-O 3.28Å; P532-P696 HydrophobicContact CG-CG 3.98Å; P532-P696 WeakPolarHBondContact O-CG 3.41Å |
| 533 | S | 86.2 | Confident | 83.1 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.007 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -78.2 | 163.3 | 172.2 | -173.7 | 0 | 0 | 0 | 0 | 111.7 | D515 L535 D536 V537 | D515-S533 WeakPolarHBondContact O-CB 3.4Å; D515-S533 PolarHBondContact O-OG 3.47Å; S533-L535 PolarHBondContact O-N 3.4Å; S533-D536 PolarHBondContact N-OD2 3.3Å; S533-D536 WeakPolarHBondContact O-CB 3.09Å; S533-D536 PolarHBondContact O-N 3.46Å; S533-D536 VanDerWaalsContact O-N 3.12Å; S533-V537 WeakPolarHBondContact O-CG2 3.48Å; S533-V537 PolarHBondContact O-N 3.14Å; S533-V537 VanDerWaalsContact O-N 3.11Å |
| 534 | L | 85.6 | Confident | 83.6 | Confident | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.6 | -32.1 | 171.2 | -62.3 | -170.6 | 0 | 0 | 0 | 112.3 | F512 L513 R538 I695 P698 L706 | F512-L534 HydrophobicContact CE1-CB 3.89Å; F512-L534 HydrophobicContact CE1-CD2 4.29Å; F512-L534 WeakPolarHBondContact CE1-O 3.3Å; F512-L534 HydrophobicContact CZ-CB 4.4Å; F512-L534 HydrophobicContact CZ-CD2 4.02Å; L513-L534 WeakPolarHBondContact O-CD1 3.25Å; L534-R538 PolarHBondContact O-N 2.96Å; L534-R538 VanDerWaalsContact O-N 3.07Å; L534-I695 HydrophobicContact CD2-CG2 4.16Å; L534-P698 HydrophobicContact CD1-CB 3.92Å; L534-L706 HydrophobicContact CD1-CD1 4.41Å |
| 535 | L | 86.4 | Confident | 84.1 | Confident | 11 Ų | 11 | 33.8 Ų | 33.8 | 6% | 0.058 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.1 | -42.1 | 174 | -178.2 | 62.1 | 0 | 0 | 0 | 111.6 | D515 Y516 S533 V537 R538 Q539 | D515-L535 VanDerWaalsContact O-CB 3.29Å; D515-L535 WeakPolarHBondContact O-CB 3.39Å; Y516-L535 HydrophobicContact CD2-CD2 4.13Å; Y516-L535 HydrophobicContact CG-CD2 4.46Å; S533-L535 PolarHBondContact O-N 3.4Å; L535-V537 VanDerWaalsContact C-N 3.3Å; L535-V537 PolarHBondContact O-N 3Å; L535-R538 WeakPolarHBondContact O-CA 3.29Å; L535-R538 WeakPolarHBondContact O-CB 3.35Å; L535-R538 PolarHBondContact O-N 3.43Å; L535-R538 VanDerWaalsContact O-N 3.08Å; L535-Q539 WeakPolarHBondContact O-CG 3.07Å; L535-Q539 PolarHBondContact O-N 3.48Å |
| 536 | D | 87.9 | Confident | 84.8 | Confident | 7 Ų | 7 | 27.7 Ų | 27.7 | 4% | 0.037 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.4 | -39.7 | 179.7 | -52.6 | -33.5 | 0 | 0 | 0 | 110.5 | Y99 S533 R538 Q539 V540 | Y99-D536 HydrophobicContact CD1-CB 3.73Å; Y99-D536 HydrophobicContact CE1-CB 4.14Å; S533-D536 PolarHBondContact N-OD2 3.3Å; S533-D536 WeakPolarHBondContact O-CB 3.09Å; S533-D536 PolarHBondContact O-N 3.46Å; S533-D536 VanDerWaalsContact O-N 3.12Å; D536-R538 VanDerWaalsContact C-N 3.33Å; D536-R538 PolarHBondContact O-N 2.84Å; D536-Q539 PolarHBondContact O-N 3.38Å; D536-V540 WeakPolarHBondContact O-CB 3.32Å; D536-V540 VanDerWaalsContact O-CG2 3.26Å; D536-V540 WeakPolarHBondContact O-CG2 3.48Å; D536-V540 PolarHBondContact O-N 3.2Å |
| 537 | V | 90.4 | Very high | 85.6 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.6 | -44 | 172.4 | 174.4 | 0 | 0 | 0 | 0 | 110.8 | Y99 S533 L535 V540 L541 L577 I693 I695 | Y99-V537 HydrophobicContact CE1-CG2 4.32Å; S533-V537 WeakPolarHBondContact O-CG2 3.48Å; S533-V537 PolarHBondContact O-N 3.14Å; S533-V537 VanDerWaalsContact O-N 3.11Å; L535-V537 VanDerWaalsContact C-N 3.3Å; L535-V537 PolarHBondContact O-N 3Å; V537-V540 PolarHBondContact O-N 3.04Å; V537-L541 HydrophobicContact CG1-CD1 3.9Å; V537-L541 HydrophobicContact CG1-CG 4.47Å; V537-L541 WeakPolarHBondContact O-CB 3.48Å; V537-L541 VanDerWaalsContact O-CG 3.29Å; V537-L541 WeakPolarHBondContact O-CG 3.3Å; V537-L541 PolarHBondContact O-N 3.36Å; V537-L577 HydrophobicContact CG1-CD1 4.2Å; V537-I693 HydrophobicContact CG1-CG2 4.3Å; V537-I695 HydrophobicContact CG1-CD1 3.93Å; V537-I695 HydrophobicContact CG1-CG1 3.85Å; V537-I695 HydrophobicContact CG2-CG1 4.31Å |
| 538 | R | 90.3 | Very high | 86.4 | Confident | 26 Ų | 26 | 15.5 Ų | 15.5 | 10% | 0.098 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -60.8 | -44.9 | 177.3 | -171.9 | 172.4 | 73.9 | -158.6 | 6 | 111.6 | E117 M509 F512 L534 L535 D536 S542 | E117-R538 IonicContact OE1-CZ 3.79Å; E117-R538 IonicContact OE1-NE 3.43Å; E117-R538 PolarHBondContact OE1-NE 3.17Å; E117-R538 VanDerWaalsContact OE1-NE 3.13Å; E117-R538 IonicContact OE1-NH2 3.76Å; E117-R538 PolarHBondContact OE1-NH2 3.38Å; E117-R538 IonicContact OE2-NH2 2.7Å; E117-R538 PolarHBondContact OE2-NH2 3Å; M509-R538 HydrophobicContact CE-CG 3.74Å; M509-R538 VanDerWaalsContact O-CD 3.3Å; M509-R538 WeakPolarHBondContact O-CD 3.35Å; F512-R538 HydrophobicContact CD1-CB 4.32Å; F512-R538 PolarHBondContact O-NH1 2.89Å; L534-R538 PolarHBondContact O-N 2.96Å; L534-R538 VanDerWaalsContact O-N 3.07Å; L535-R538 WeakPolarHBondContact O-CA 3.29Å; L535-R538 WeakPolarHBondContact O-CB 3.35Å; L535-R538 PolarHBondContact O-N 3.43Å; L535-R538 VanDerWaalsContact O-N 3.08Å; D536-R538 VanDerWaalsContact C-N 3.33Å; D536-R538 PolarHBondContact O-N 2.84Å; R538-S542 WeakPolarHBondContact O-CB 3.44Å; R538-S542 PolarHBondContact O-N 3.18Å; R538-S542 PolarHBondContact O-OG 2.81Å |
| 539 | Q | 89.3 | Confident | 86.9 | Confident | 23 Ų | 23 | 10.9 Ų | 10.9 | 11% | 0.107 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -63 | -50.8 | 178.2 | -72.4 | 178.2 | -1.1 | 0 | 0 | 111.5 | L116 I118 L535 D536 L541 S542 L543 | L116-Q539 PolarHBondContact O-NE2 3.37Å; I118-Q539 HydrophobicContact CD1-CB 3.86Å; I118-Q539 HydrophobicContact CD1-CG 4.25Å; I118-Q539 WeakPolarHBondContact CD1-O 3.48Å; L535-Q539 WeakPolarHBondContact O-CG 3.07Å; L535-Q539 PolarHBondContact O-N 3.48Å; D536-Q539 PolarHBondContact O-N 3.38Å; Q539-L541 VanDerWaalsContact C-N 3.3Å; Q539-L541 PolarHBondContact O-N 3.12Å; Q539-S542 WeakPolarHBondContact O-CB 3.45Å; Q539-S542 PolarHBondContact O-N 2.53Å; Q539-S542 VanDerWaalsContact O-N 3.07Å; Q539-L543 WeakPolarHBondContact O-CG 3.42Å; Q539-L543 PolarHBondContact O-N 3.29Å |
| 540 | V | 90.8 | Very high | 87.5 | Confident | 3 Ų | 3 | 7.6 Ų | 7.6 | 2% | 0.018 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -60.1 | -40.4 | -179.7 | 172.2 | 0 | 0 | 0 | 0 | 111.5 | Y99 D536 V537 L543 Y544 I693 | Y99-V540 HydrophobicContact CD1-CG2 3.97Å; Y99-V540 HydrophobicContact CE1-CG2 3.93Å; D536-V540 WeakPolarHBondContact O-CB 3.32Å; D536-V540 VanDerWaalsContact O-CG2 3.26Å; D536-V540 WeakPolarHBondContact O-CG2 3.48Å; D536-V540 PolarHBondContact O-N 3.2Å; V537-V540 PolarHBondContact O-N 3.04Å; V540-L543 PolarHBondContact O-N 2.87Å; V540-Y544 HydrophobicContact CG1-CD2 3.47Å; V540-Y544 VanDerWaalsContact CG1-CD2 3.47Å; V540-Y544 HydrophobicContact CG1-CE2 3.42Å; V540-Y544 VanDerWaalsContact CG1-CE2 3.42Å; V540-Y544 WeakPolarHBondContact O-CB 3.31Å; V540-Y544 PolarHBondContact O-N 3.09Å; V540-I693 HydrophobicContact CG1-CD1 3.73Å; V540-I693 HydrophobicContact CG1-CG1 4.14Å |
| 541 | L | 91.4 | Very high | 87.9 | Confident | 1 Ų | 1 | 7.3 Ų | 7.3 | 1% | 0.005 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -69.3 | -33.9 | 175.7 | -71.5 | 174.5 | 0 | 0 | 0 | 113.2 | M509 V537 Q539 G545 I546 I564 L566 L577 I581 I693 | M509-L541 HydrophobicContact CE-CB 4Å; V537-L541 HydrophobicContact CG1-CD1 3.9Å; V537-L541 HydrophobicContact CG1-CG 4.47Å; V537-L541 WeakPolarHBondContact O-CB 3.48Å; V537-L541 VanDerWaalsContact O-CG 3.29Å; V537-L541 WeakPolarHBondContact O-CG 3.3Å; V537-L541 PolarHBondContact O-N 3.36Å; Q539-L541 VanDerWaalsContact C-N 3.3Å; Q539-L541 PolarHBondContact O-N 3.12Å; L541-G545 VanDerWaalsContact O-CA 3.31Å; L541-G545 WeakPolarHBondContact O-CA 3.38Å; L541-G545 PolarHBondContact O-N 2.86Å; L541-I546 PolarHBondContact O-N 2.81Å; L541-I564 HydrophobicContact CD2-CG2 4.34Å; L541-L566 HydrophobicContact CD1-CD2 4.35Å; L541-L566 HydrophobicContact CD2-CD2 3.65Å; L541-L577 HydrophobicContact CD1-CB 4.07Å; L541-L577 HydrophobicContact CD1-CD1 3.71Å; L541-L577 HydrophobicContact CD1-CD2 3.87Å; L541-L577 HydrophobicContact CD1-CG 4.1Å; L541-I581 HydrophobicContact CD2-CD1 4.32Å; L541-I693 HydrophobicContact CD2-CD1 3.47Å; L541-I693 VanDerWaalsContact CD2-CD1 3.47Å; L541-I693 HydrophobicContact CG-CD1 4.19Å |
| 542 | S | 91.3 | Very high | 88.1 | Confident | 6 Ų | 6 | 7.8 Ų | 7.8 | 4% | 0.042 | 4% | 0.043 | C | C | . | . | I | π-helix | trans | -64 | -46.7 | 174.2 | -55.7 | 0 | 0 | 0 | 0 | 110.1 | R538 Q539 I546 L547 | R538-S542 WeakPolarHBondContact O-CB 3.44Å; R538-S542 PolarHBondContact O-N 3.18Å; R538-S542 PolarHBondContact O-OG 2.81Å; Q539-S542 WeakPolarHBondContact O-CB 3.45Å; Q539-S542 PolarHBondContact O-N 2.53Å; Q539-S542 VanDerWaalsContact O-N 3.07Å; S542-I546 WeakPolarHBondContact O-CB 3.43Å; S542-I546 PolarHBondContact O-N 3.21Å; S542-I546 VanDerWaalsContact O-N 3.14Å; S542-L547 WeakPolarHBondContact O-CG 3.29Å; S542-L547 PolarHBondContact O-N 2.83Å |
| 543 | L | 90.8 | Very high | 88.1 | Confident | 1 Ų | 1 | 11.2 Ų | 11.2 | 1% | 0.005 | 6% | 0.059 | C | C | . | . | I | π-helix | trans | -61.9 | -50.4 | 176.5 | -63.8 | 177 | 0 | 0 | 0 | 113 | V84 L85 K88 I118 Q539 V540 L547 P548 | V84-L543 HydrophobicContact CG1-CD2 3.96Å; L85-L543 HydrophobicContact CD2-CB 3.94Å; L85-L543 HydrophobicContact CD2-CD2 4.22Å; L85-L543 WeakPolarHBondContact CD2-O 3.32Å; K88-L543 HydrophobicContact CB-CD1 4.16Å; K88-L543 HydrophobicContact CD-CD1 3.78Å; K88-L543 HydrophobicContact CG-CD1 3.61Å; I118-L543 HydrophobicContact CD1-CD1 3.88Å; I118-L543 HydrophobicContact CD1-CD2 3.37Å; I118-L543 HydrophobicContact CD1-CG 3.37Å; I118-L543 HydrophobicContact CG1-CD2 3.81Å; I118-L543 HydrophobicContact CG1-CG 4.35Å; I118-L543 HydrophobicContact CG2-CD2 4.27Å; Q539-L543 WeakPolarHBondContact O-CG 3.42Å; Q539-L543 PolarHBondContact O-N 3.29Å; V540-L543 PolarHBondContact O-N 2.87Å; L543-L547 HydrophobicContact CD2-CD1 3.74Å; L543-P548 VanDerWaalsContact O-CD 3.24Å; L543-P548 WeakPolarHBondContact O-CD 3.34Å |
| 544 | Y | 89.2 | Confident | 88.1 | Confident | 6 Ų | 6 | 11.2 Ų | 11.2 | 2% | 0.024 | 6% | 0.059 | C | C | . | . | I | π-helix | trans | -88.4 | -30.9 | -170.2 | -62.5 | -25.7 | 0 | 0 | 0 | 114.3 | K88 V92 E98 V540 I561 K691 | K88-Y544 HydrophobicContact CG-CE1 4.17Å; V92-Y544 WeakPolarHBondContact CG2-OH 3.34Å; E98-Y544 WeakPolarHBondContact OE2-CE2 3.48Å; E98-Y544 PolarHBondContact OE2-OH 2.88Å; V540-Y544 HydrophobicContact CG1-CD2 3.47Å; V540-Y544 VanDerWaalsContact CG1-CD2 3.47Å; V540-Y544 HydrophobicContact CG1-CE2 3.42Å; V540-Y544 VanDerWaalsContact CG1-CE2 3.42Å; V540-Y544 WeakPolarHBondContact O-CB 3.31Å; V540-Y544 PolarHBondContact O-N 3.09Å; Y544-I561 HydrophobicContact CD1-CD1 3.16Å; Y544-I561 HydrophobicContact CD2-CD1 4.34Å; Y544-I561 HydrophobicContact CE1-CD1 3.95Å; Y544-I561 HydrophobicContact CG-CD1 3.43Å; Y544-I561 VanDerWaalsContact CG-CD1 3.43Å; Y544-K691 HydrophobicContact CE2-CD 4.29Å |
| 545 | G | 86.3 | Confident | 88.1 | Confident | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.06 | C | C | . | . | I | π-helix | trans | -96.6 | -49.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L541 L549 | L541-G545 VanDerWaalsContact O-CA 3.31Å; L541-G545 WeakPolarHBondContact O-CA 3.38Å; L541-G545 PolarHBondContact O-N 2.86Å; G545-L549 WeakPolarHBondContact O-CB 3.11Å; G545-L549 VanDerWaalsContact O-CD1 3.24Å; G545-L549 WeakPolarHBondContact O-CD1 3.36Å; G545-L549 WeakPolarHBondContact O-CG 3.24Å |
| 546 | I | 90.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.081 | C | C | . | . | I | π-helix | trans | -88.6 | -50.6 | -163.9 | -57.7 | 178.9 | 0 | 0 | 0 | 111.7 | I120 F124 M509 L541 S542 L549 G550 I581 E584 T585 | I120-I546 HydrophobicContact CD1-CD1 3.86Å; I120-I546 HydrophobicContact CG1-CD1 4.47Å; I120-I546 HydrophobicContact CG1-CG2 4.37Å; I120-I546 HydrophobicContact CG2-CG2 3.96Å; F124-I546 HydrophobicContact CD2-CG2 4.19Å; F124-I546 HydrophobicContact CE2-CG2 4.04Å; M509-I546 HydrophobicContact CE-CD1 3.96Å; M509-I546 HydrophobicContact CG-CD1 3.46Å; M509-I546 VanDerWaalsContact CG-CD1 3.46Å; M509-I546 HydrophobicContact SD-CD1 4.09Å; L541-I546 PolarHBondContact O-N 2.81Å; S542-I546 WeakPolarHBondContact O-CB 3.43Å; S542-I546 PolarHBondContact O-N 3.21Å; S542-I546 VanDerWaalsContact O-N 3.14Å; I546-L549 PolarHBondContact O-N 3.18Å; I546-G550 PolarHBondContact O-N 3.11Å; I546-I581 HydrophobicContact CD1-CG1 4.32Å; I546-I581 HydrophobicContact CG1-CB 4.48Å; I546-I581 HydrophobicContact CG1-CG1 4.05Å; I546-I581 HydrophobicContact CG1-CG2 4.32Å; I546-E584 HydrophobicContact CD1-CB 4.27Å; I546-E584 HydrophobicContact CD1-CG 4.43Å; I546-E584 HydrophobicContact CG2-CB 4.26Å; I546-T585 HydrophobicContact CB-CG2 4.25Å; I546-T585 HydrophobicContact CG1-CG2 4.45Å; I546-T585 HydrophobicContact CG2-CG2 3.89Å |
| 547 | L | 90.8 | Very high | 87.9 | Confident | 2 Ų | 2 | 19.4 Ų | 19.4 | 1% | 0.01 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -59.2 | -46.2 | -176.5 | -57.6 | -179.2 | 0 | 0 | 0 | 113.2 | F54 M81 L85 I118 P121 F124 S542 L543 G550 A551 | F54-L547 HydrophobicContact CZ-CD2 4.14Å; M81-L547 HydrophobicContact CG-CB 4.03Å; M81-L547 HydrophobicContact CG-CD1 3.86Å; M81-L547 HydrophobicContact CG-CD2 4.24Å; M81-L547 HydrophobicContact CG-CG 4.24Å; M81-L547 HydrophobicContact SD-CB 3.76Å; M81-L547 HydrophobicContact SD-CD1 4.33Å; M81-L547 HydrophobicContact SD-CD2 3.64Å; M81-L547 HydrophobicContact SD-CG 4.08Å; L85-L547 HydrophobicContact CD1-CB 4.39Å; L85-L547 HydrophobicContact CD2-CD1 4.22Å; I118-L547 HydrophobicContact CG2-CD1 3.99Å; I118-L547 HydrophobicContact CG2-CD2 4.24Å; I118-L547 HydrophobicContact CG2-CG 4.46Å; P121-L547 HydrophobicContact CG-CD2 4.47Å; F124-L547 HydrophobicContact CE2-CD2 4.13Å; F124-L547 HydrophobicContact CZ-CD2 4.1Å; S542-L547 WeakPolarHBondContact O-CG 3.29Å; S542-L547 PolarHBondContact O-N 2.83Å; L543-L547 HydrophobicContact CD2-CD1 3.74Å; L547-G550 PolarHBondContact O-N 2.95Å; L547-A551 PolarHBondContact O-N 3.19Å |
| 548 | P | 89.1 | Confident | 87.5 | Confident | 13 Ų | 13 | 19.9 Ų | 19.9 | 8% | 0.084 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -69.2 | -37.9 | 179.4 | -19.6 | 34.5 | 0 | 0 | 0 | 112.2 | L85 L543 G550 H555 | L85-P548 HydrophobicContact CD1-CG 4.21Å; L543-P548 VanDerWaalsContact O-CD 3.24Å; L543-P548 WeakPolarHBondContact O-CD 3.34Å; P548-G550 VanDerWaalsContact C-N 3.31Å; P548-G550 PolarHBondContact O-N 2.96Å; P548-H555 HydrophobicContact CB-CB 4.46Å; P548-H555 WeakPolarHBondContact O-CB 3.31Å |
| 549 | L | 86.3 | Confident | 86.9 | Confident | 4 Ų | 4 | 20.6 Ų | 20.6 | 2% | 0.021 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67.3 | -33.8 | 177.6 | -73 | -179 | 0 | 0 | 0 | 112.5 | G545 I546 I581 T585 P623 V625 R667 L669 | G545-L549 WeakPolarHBondContact O-CB 3.11Å; G545-L549 VanDerWaalsContact O-CD1 3.24Å; G545-L549 WeakPolarHBondContact O-CD1 3.36Å; G545-L549 WeakPolarHBondContact O-CG 3.24Å; I546-L549 PolarHBondContact O-N 3.18Å; L549-I581 HydrophobicContact CD1-CG2 4.14Å; L549-T585 HydrophobicContact CB-CG2 3.66Å; L549-T585 HydrophobicContact CD1-CG2 4.19Å; L549-P623 HydrophobicContact CB-CB 4.46Å; L549-P623 HydrophobicContact CD2-CB 4.32Å; L549-V625 HydrophobicContact CD1-CG2 3.8Å; L549-R667 HydrophobicContact CD2-CB 4.36Å; L549-R667 PolarHBondContact O-NH1 2.85Å; L549-R667 VanDerWaalsContact O-NH1 3.1Å; L549-L669 HydrophobicContact CD1-CB 4.04Å; L549-L669 HydrophobicContact CD1-CD2 3.83Å; L549-L669 HydrophobicContact CD2-CB 4.06Å; L549-L669 HydrophobicContact CG-CB 4.38Å; L549-L669 HydrophobicContact CG-CD2 4.44Å |
| 550 | G | 83.5 | Confident | 86.5 | Confident | 2 Ų | 2 | 22.2 Ų | 22.2 | 2% | 0.021 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67.1 | -47.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | R128 I546 L547 P548 | R128-G550 PolarHBondContact NH1-O 3.39Å; I546-G550 PolarHBondContact O-N 3.11Å; L547-G550 PolarHBondContact O-N 2.95Å; P548-G550 VanDerWaalsContact C-N 3.31Å; P548-G550 PolarHBondContact O-N 2.96Å |
| 551 | A | 84.9 | Confident | 86.2 | Confident | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.008 | 12% | 0.121 | C | C | . | . | trans | -115.5 | 118.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | M81 F124 L547 E553 V554 H555 | M81-A551 HydrophobicContact CE-CB 3.36Å; F124-A551 HydrophobicContact CE1-CB 4.33Å; L547-A551 PolarHBondContact O-N 3.19Å; A551-E553 PolarHBondContact O-N 3.13Å; A551-V554 HydrophobicContact CB-CB 4.12Å; A551-V554 HydrophobicContact CB-CG2 4.03Å; A551-V554 PolarHBondContact O-N 3.27Å; A551-H555 PolarHBondContact O-N 2.96Å | ||
| 552 | P | 84.9 | Confident | 86 | Confident | 48 Ų | 48 | 26 Ų | 26 | 31% | 0.312 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -65.7 | -40.4 | -178.3 | 26.3 | -34.2 | 0 | 0 | 0 | 112.8 | V554 H555 E556 | P552-V554 VanDerWaalsContact C-N 3.26Å; P552-V554 PolarHBondContact O-N 3.21Å; P552-H555 WeakPolarHBondContact O-CB 3.47Å; P552-H555 PolarHBondContact O-N 3.11Å; P552-E556 PolarHBondContact O-N 3.45Å |
| 553 | E | 84.1 | Confident | 86.1 | Confident | 77 Ų | 77 | 26 Ų | 26 | 36% | 0.36 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -59.9 | -37.7 | 178.1 | -69.2 | 160.4 | -132.4 | 0 | 0 | 112 | K78 A551 K557 | K78-E553 WeakPolarHBondContact CD-OE2 3.42Å; K78-E553 VanDerWaalsContact NZ-CD 3.33Å; K78-E553 IonicContact NZ-OE1 2.8Å; K78-E553 PolarHBondContact NZ-OE1 3.44Å; K78-E553 IonicContact NZ-OE2 3.37Å; K78-E553 PolarHBondContact NZ-OE2 3.17Å; A551-E553 PolarHBondContact O-N 3.13Å; E553-K557 PolarHBondContact O-N 2.9Å |
| 554 | V | 85.9 | Confident | 86.2 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -75.3 | -39.6 | 177.5 | 179.3 | 0 | 0 | 0 | 0 | 110.7 | K78 M81 L85 F389 A551 P552 E556 K557 A558 | K78-V554 HydrophobicContact CB-CG2 4.22Å; K78-V554 WeakPolarHBondContact O-CG2 3.03Å; M81-V554 HydrophobicContact CE-CB 3.74Å; M81-V554 HydrophobicContact CE-CG1 3.99Å; M81-V554 HydrophobicContact CE-CG2 3.39Å; L85-V554 HydrophobicContact CD1-CG1 3.62Å; F389-V554 HydrophobicContact CE1-CG2 4.28Å; F389-V554 HydrophobicContact CZ-CG1 4.27Å; A551-V554 HydrophobicContact CB-CB 4.12Å; A551-V554 HydrophobicContact CB-CG2 4.03Å; A551-V554 PolarHBondContact O-N 3.27Å; P552-V554 VanDerWaalsContact C-N 3.26Å; P552-V554 PolarHBondContact O-N 3.21Å; V554-E556 VanDerWaalsContact C-N 3.29Å; V554-E556 PolarHBondContact O-N 2.95Å; V554-K557 PolarHBondContact O-N 3.07Å; V554-A558 HydrophobicContact CG1-CB 4.06Å; V554-A558 WeakPolarHBondContact O-CA 3.3Å; V554-A558 WeakPolarHBondContact O-CB 3.5Å; V554-A558 PolarHBondContact O-N 2.98Å |
| 555 | H | 86.4 | Confident | 86.4 | Confident | 10 Ų | 10 | 25.6 Ų | 25.6 | 5% | 0.046 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.2 | -36.5 | 176.7 | -171.1 | 67.7 | 0 | 0 | 0 | 113.7 | P548 A551 P552 L560 P664 D666 R667 | P548-H555 HydrophobicContact CB-CB 4.46Å; P548-H555 WeakPolarHBondContact O-CB 3.31Å; A551-H555 PolarHBondContact O-N 2.96Å; P552-H555 WeakPolarHBondContact O-CB 3.47Å; P552-H555 PolarHBondContact O-N 3.11Å; H555-L560 VanDerWaalsContact CE1-CD1 3.41Å; H555-L560 WeakPolarHBondContact CE1-CD1 3.41Å; H555-P664 PolarHBondContact CD2-O 2.77Å; H555-P664 PolarHBondContact NE2-O 2.96Å; H555-D666 PolarHBondContact NE2-O 3.46Å; H555-R667 HydrophobicContact CB-CG 4.39Å |
| 556 | E | 86.4 | Confident | 86.8 | Confident | 108 Ų | 108 | 25.6 Ų | 25.6 | 51% | 0.505 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -72.6 | -40 | -178.6 | -172.8 | 176.9 | 178 | 0 | 0 | 112.6 | P552 V554 | P552-E556 PolarHBondContact O-N 3.45Å; V554-E556 VanDerWaalsContact C-N 3.29Å; V554-E556 PolarHBondContact O-N 2.95Å |
| 557 | K | 84.2 | Confident | 86.9 | Confident | 76 Ų | 76 | 25.6 Ų | 25.6 | 33% | 0.33 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -94.1 | -31.3 | -174 | -64.7 | 176.8 | -166.3 | 170.7 | 0 | 113.9 | A388 F389 E392 E553 V554 | A388-K557 HydrophobicContact CB-CB 4.25Å; F389-K557 HydrophobicContact CE1-CB 3.89Å; F389-K557 HydrophobicContact CE1-CD 4.03Å; F389-K557 HydrophobicContact CE2-CB 4.03Å; F389-K557 HydrophobicContact CZ-CB 3.44Å; F389-K557 VanDerWaalsContact CZ-CB 3.44Å; F389-K557 HydrophobicContact CZ-CD 4.44Å; E392-K557 IonicContact OE1-NZ 2.93Å; E392-K557 PolarHBondContact OE1-NZ 3.48Å; E392-K557 IonicContact OE2-NZ 3.9Å; E392-K557 PolarHBondContact OE2-NZ 3.45Å; E553-K557 PolarHBondContact O-N 2.9Å; V554-K557 PolarHBondContact O-N 3.07Å |
| 558 | A | 80.9 | Confident | 86.9 | Confident | 10 Ų | 10 | 25.6 Ų | 25.6 | 8% | 0.083 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -75.5 | 163.6 | -179 | 0 | 0 | 0 | 0 | 0 | 111.8 | L85 F389 V554 L560 | L85-A558 HydrophobicContact CB-CB 4.42Å; L85-A558 HydrophobicContact CD1-CB 4.06Å; F389-A558 HydrophobicContact CE2-CB 4.21Å; F389-A558 HydrophobicContact CZ-CB 4.19Å; V554-A558 HydrophobicContact CG1-CB 4.06Å; V554-A558 WeakPolarHBondContact O-CA 3.3Å; V554-A558 WeakPolarHBondContact O-CB 3.5Å; V554-A558 PolarHBondContact O-N 2.98Å; A558-L560 PolarHBondContact O-N 3.38Å |
| 559 | P | 78.3 | Confident | 86.9 | Confident | 42 Ų | 42 | 25.9 Ų | 25.9 | 27% | 0.273 | 13% | 0.133 | S | C | . | . | trans | -54.3 | 114.5 | 175.6 | -26.7 | 35.4 | 0 | 0 | 0 | 112.3 | Y89 I561 | Y89-P559 HydrophobicContact CD1-CB 4.31Å; Y89-P559 HydrophobicContact CD1-CG 3.97Å; Y89-P559 HydrophobicContact CD2-CB 3.64Å; Y89-P559 HydrophobicContact CD2-CG 4.03Å; Y89-P559 HydrophobicContact CE2-CB 3.95Å; Y89-P559 HydrophobicContact CG-CB 3.86Å; Y89-P559 HydrophobicContact CG-CG 3.69Å; P559-I561 PolarHBondContact O-N 3.44Å | ||
| 560 | L | 80.8 | Confident | 86.9 | Confident | 56 Ų | 56 | 28.4 Ų | 28.4 | 29% | 0.293 | 16% | 0.155 | S | C | . | . | trans | -71.4 | 111.8 | -170.6 | -177.6 | 64.6 | 0 | 0 | 0 | 112.8 | H555 A558 K562 P664 | H555-L560 VanDerWaalsContact CE1-CD1 3.41Å; H555-L560 WeakPolarHBondContact CE1-CD1 3.41Å; A558-L560 PolarHBondContact O-N 3.38Å; L560-K562 HydrophobicContact CD2-CD 4.41Å; L560-K562 HydrophobicContact CD2-CG 4.17Å; L560-K562 HydrophobicContact CG-CG 4.01Å; L560-P664 HydrophobicContact CD2-CB 4.19Å; L560-P664 HydrophobicContact CD2-CG 4.04Å | ||
| 561 | I | 84.9 | Confident | 87 | Confident | 25 Ų | 25 | 30 Ų | 30 | 13% | 0.128 | 17% | 0.172 | C | C | . | . | trans | -99 | 106 | 175.2 | -57.9 | 173 | 0 | 0 | 0 | 109.4 | Y544 P559 I564 K691 | Y544-I561 HydrophobicContact CD1-CD1 3.16Å; Y544-I561 HydrophobicContact CD2-CD1 4.34Å; Y544-I561 HydrophobicContact CE1-CD1 3.95Å; Y544-I561 HydrophobicContact CG-CD1 3.43Å; Y544-I561 VanDerWaalsContact CG-CD1 3.43Å; P559-I561 PolarHBondContact O-N 3.44Å; I561-I564 HydrophobicContact CG2-CD1 4.33Å; I561-I564 HydrophobicContact CG2-CG1 3.92Å; I561-K691 HydrophobicContact CD1-CG 4.46Å; I561-K691 HydrophobicContact CG2-CB 4.5Å; I561-K691 HydrophobicContact CG2-CG 3.94Å | ||
| 562 | K | 87.7 | Confident | 87.1 | Confident | 60 Ų | 60 | 30 Ų | 30 | 26% | 0.261 | 17% | 0.172 | S | C | . | . | trans | -87.7 | -28 | -178.2 | -53.9 | -171.5 | -175.9 | -160.7 | 0 | 113.7 | L560 L659 I662 I670 | L560-K562 HydrophobicContact CD2-CD 4.41Å; L560-K562 HydrophobicContact CD2-CG 4.17Å; L560-K562 HydrophobicContact CG-CG 4.01Å; K562-L659 HydrophobicContact CB-CD1 3.64Å; K562-L659 HydrophobicContact CB-CG 4.33Å; K562-L659 HydrophobicContact CD-CG 4.42Å; K562-I662 PolarHBondContact NZ-O 3.45Å; K562-I670 PolarHBondContact O-N 2.87Å; K562-I670 VanDerWaalsContact O-N 3.09Å | ||
| 563 | S | 92 | Very high | 87.3 | Confident | 4 Ų | 4 | 28.9 Ų | 28.9 | 3% | 0.028 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 135 | -171.3 | 55.7 | 0 | 0 | 0 | 0 | 113.8 | I670 M688 Y689 G690 K691 | S563-I670 CarbonylContact C-O 3.58Å; S563-I670 WeakPolarHBondContact CA-O 3.31Å; S563-M688 WeakPolarHBondContact CB-O 3.45Å; S563-M688 PolarHBondContact OG-O 3.31Å; S563-Y689 VanDerWaalsContact OG-CA 3.32Å; S563-Y689 WeakPolarHBondContact OG-CA 3.43Å; S563-G690 PolarHBondContact O-N 3.47Å; S563-G690 PolarHBondContact OG-N 3.07Å; S563-K691 PolarHBondContact O-N 2.72Å; S563-K691 VanDerWaalsContact O-N 3.08Å |
| 564 | I | 94.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 135.3 | -179.8 | -61.1 | 174.3 | 0 | 0 | 0 | 109.2 | L541 I561 L566 L669 I670 I671 G672 Y689 K691 I693 | L541-I564 HydrophobicContact CD2-CG2 4.34Å; I561-I564 HydrophobicContact CG2-CD1 4.33Å; I561-I564 HydrophobicContact CG2-CG1 3.92Å; I564-L566 HydrophobicContact CG2-CD2 3.81Å; I564-L669 HydrophobicContact CD1-CD1 4.09Å; I564-L669 HydrophobicContact CD1-CD2 4.09Å; I564-L669 HydrophobicContact CG1-CD1 4.14Å; I564-I670 PolarHBondContact N-O 3.37Å; I564-I671 CarbonylContact O-C 3.51Å; I564-I671 WeakPolarHBondContact O-CA 3.08Å; I564-G672 PolarHBondContact O-N 3.43Å; I564-Y689 WeakPolarHBondContact O-CD1 3.22Å; I564-K691 CarbonylContact C-O 3.29Å; I564-K691 WeakPolarHBondContact CA-O 3.33Å; I564-K691 HydrophobicContact CG1-CB 4.28Å; I564-I693 HydrophobicContact CG2-CD1 3.66Å; I564-I693 HydrophobicContact CG2-CG1 4.28Å |
| 565 | L | 93.6 | Very high | 88 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 118.7 | 171.9 | -177.7 | 65 | 0 | 0 | 0 | 110.2 | V567 A631 G672 T674 M685 Y689 K691 I692 I693 W786 | L565-V567 HydrophobicContact CD2-CG2 3.82Å; L565-V567 HydrophobicContact CG-CG2 3.75Å; L565-A631 HydrophobicContact CD1-CB 4.15Å; L565-G672 CarbonylContact C-O 3.59Å; L565-G672 WeakPolarHBondContact CA-O 3.42Å; L565-T674 HydrophobicContact CD1-CG2 4.03Å; L565-T674 HydrophobicContact CD2-CG2 4.4Å; L565-T674 HydrophobicContact CG-CG2 4.24Å; L565-M685 HydrophobicContact CD2-CE 3.85Å; L565-Y689 HydrophobicContact CB-CD1 3.85Å; L565-Y689 HydrophobicContact CB-CD2 4.03Å; L565-Y689 HydrophobicContact CB-CE1 4.48Å; L565-Y689 HydrophobicContact CB-CG 3.6Å; L565-Y689 HydrophobicContact CD1-CD2 4.07Å; L565-Y689 HydrophobicContact CD1-CE1 4.39Å; L565-Y689 HydrophobicContact CD1-CE2 3.9Å; L565-Y689 HydrophobicContact CD1-CG 4.38Å; L565-Y689 HydrophobicContact CD2-CD2 4.04Å; L565-Y689 HydrophobicContact CD2-CG 4.41Å; L565-Y689 HydrophobicContact CG-CD2 4.27Å; L565-Y689 HydrophobicContact CG-CG 4.34Å; L565-K691 PolarHBondContact N-O 2.92Å; L565-I692 HydrophobicContact CB-CG1 4.34Å; L565-I692 HydrophobicContact CD2-CG1 4.42Å; L565-I692 HydrophobicContact CD2-CG2 4.35Å; L565-I693 PolarHBondContact O-N 3.27Å; L565-W786 HydrophobicContact CD2-CH2 4.48Å |
| 566 | L | 94 | Very high | 88.2 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 115 | 172.3 | -49.8 | -175.3 | 0 | 0 | 0 | 109.7 | L541 I564 K574 L577 V578 I671 G672 T673 T674 I693 I695 | L541-L566 HydrophobicContact CD1-CD2 4.35Å; L541-L566 HydrophobicContact CD2-CD2 3.65Å; I564-L566 HydrophobicContact CG2-CD2 3.81Å; L566-K574 HydrophobicContact CB-CG 4.15Å; L566-L577 HydrophobicContact CD1-CB 4.25Å; L566-V578 HydrophobicContact CD1-CG2 4.1Å; L566-I671 HydrophobicContact CD1-CG2 4.23Å; L566-I671 HydrophobicContact CG-CG2 4.13Å; L566-G672 PolarHBondContact N-O 2.74Å; L566-T673 HydrophobicContact CB-CG2 4.27Å; L566-T673 HydrophobicContact CD1-CG2 4.24Å; L566-T673 WeakPolarHBondContact O-CA 3.26Å; L566-T674 PolarHBondContact O-N 3.04Å; L566-I693 HydrophobicContact CD2-CB 4.14Å; L566-I693 HydrophobicContact CD2-CD1 4.3Å; L566-I695 HydrophobicContact CB-CD1 4.18Å |
| 567 | V | 92 | Very high | 88.5 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 130.1 | -176.4 | -171.1 | 0 | 0 | 0 | 0 | 108.9 | L565 T674 P677 I692 I693 L694 I695 L783 W786 | L565-V567 HydrophobicContact CD2-CG2 3.82Å; L565-V567 HydrophobicContact CG-CG2 3.75Å; V567-T674 HydrophobicContact CB-CG2 3.89Å; V567-T674 HydrophobicContact CG1-CG2 3.78Å; V567-T674 HydrophobicContact CG2-CG2 3.64Å; V567-P677 HydrophobicContact CG1-CB 4.13Å; V567-P677 HydrophobicContact CG1-CG 3.62Å; V567-I692 HydrophobicContact CG2-CG2 3.64Å; V567-I693 PolarHBondContact N-O 2.98Å; V567-L694 HydrophobicContact CG1-CD1 4.44Å; V567-L694 CarbonylContact O-C 3.54Å; V567-L694 WeakPolarHBondContact O-CA 3.45Å; V567-I695 PolarHBondContact O-N 3.29Å; V567-L783 HydrophobicContact CG1-CD1 3.72Å; V567-W786 HydrophobicContact CB-CZ3 4.47Å; V567-W786 HydrophobicContact CG1-CE3 4.39Å; V567-W786 HydrophobicContact CG1-CZ3 3.94Å; V567-W786 HydrophobicContact CG2-CH2 4.11Å; V567-W786 HydrophobicContact CG2-CZ3 3.96Å |
| 568 | G | 90.6 | Very high | 88.9 | Confident | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | trans | 178.6 | 176.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | K574 T674 K675 I695 | G568-K574 PolarHBondContact O-NZ 3.05Å; G568-T674 PolarHBondContact N-O 3.44Å; G568-K675 WeakPolarHBondContact O-CA 3.39Å; G568-I695 VanDerWaalsContact CA-O 3.28Å; G568-I695 WeakPolarHBondContact CA-O 3.43Å | ||
| 569 | P | 88.6 | Confident | 89.4 | Confident | 19 Ų | 19 | 21 Ų | 21 | 12% | 0.123 | 14% | 0.135 | C | C | . | . | trans | -65.7 | 169.4 | 174.8 | 20.6 | -22.3 | 0 | 0 | 0 | 112 | V572 K574 I695 V775 | P569-V572 HydrophobicContact CB-CG1 4.5Å; P569-V572 HydrophobicContact CG-CG1 3.64Å; P569-V572 WeakPolarHBondContact O-CG2 3.49Å; P569-K574 WeakPolarHBondContact O-CE 3.4Å; P569-K574 PolarHBondContact O-NZ 2.84Å; P569-I695 WeakPolarHBondContact CD-O 3.46Å; P569-V775 HydrophobicContact CB-CG1 4.31Å; P569-V775 HydrophobicContact CB-CG2 3.98Å; P569-V775 HydrophobicContact CG-CG1 4.49Å; P569-V775 HydrophobicContact CG-CG2 4.32Å | ||
| 570 | A | 86.9 | Confident | 90.1 | Very high | 57 Ų | 57 | 19 Ų | 19 | 47% | 0.471 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | 147.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | V572 K675 T735 | A570-V572 PolarHBondContact O-N 3.38Å; A570-K675 HydrophobicContact CB-CD 4.41Å; A570-K675 HydrophobicContact CB-CG 4.48Å; A570-T735 WeakPolarHBondContact O-CG2 3.43Å |
| 571 | G | 85.1 | Confident | 90.6 | Very high | 36 Ų | 36 | 16.3 Ų | 16.3 | 37% | 0.371 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | 1.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | G573 G737 | G571-G573 VanDerWaalsContact C-N 3.28Å; G571-G573 PolarHBondContact O-N 3.35Å; G571-G737 WeakPolarHBondContact O-CA 3.39Å; G571-G737 PolarHBondContact O-N 3.3Å |
| 572 | V | 88.8 | Confident | 90.8 | Very high | 2 Ų | 2 | 15.2 Ų | 15.2 | 1% | 0.012 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -83.1 | 9.4 | 177.3 | -57.7 | 0 | 0 | 0 | 0 | 115.5 | P569 A570 K574 I695 T735 | P569-V572 HydrophobicContact CB-CG1 4.5Å; P569-V572 HydrophobicContact CG-CG1 3.64Å; P569-V572 WeakPolarHBondContact O-CG2 3.49Å; A570-V572 PolarHBondContact O-N 3.38Å; V572-K574 HydrophobicContact CG2-CD 4.26Å; V572-K574 HydrophobicContact CG2-CG 3.95Å; V572-I695 HydrophobicContact CB-CG2 4.1Å; V572-I695 HydrophobicContact CG2-CB 4.2Å; V572-I695 HydrophobicContact CG2-CG2 3.78Å; V572-T735 HydrophobicContact CG1-CG2 4.19Å |
| 573 | G | 88.2 | Confident | 90.8 | Very high | 23 Ų | 23 | 15.1 Ų | 15.1 | 24% | 0.237 | 10% | 0.104 | C | C | . | . | S | Bend | trans | 82.5 | 16.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | G571 S575 M576 L577 | G571-G573 VanDerWaalsContact C-N 3.28Å; G571-G573 PolarHBondContact O-N 3.35Å; G573-S575 VanDerWaalsContact C-N 3.33Å; G573-S575 PolarHBondContact O-N 3.39Å; G573-M576 WeakPolarHBondContact O-CA 3.11Å; G573-M576 WeakPolarHBondContact O-CB 3.31Å; G573-M576 PolarHBondContact O-N 3Å; G573-L577 PolarHBondContact O-N 3.21Å |
| 574 | K | 92.4 | Very high | 90.5 | Very high | 12 Ų | 12 | 16.3 Ų | 16.3 | 5% | 0.052 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -48 | -49.6 | 174.8 | -76.6 | 170.5 | -68.2 | -173.3 | 0 | 113.5 | L566 G568 P569 V572 M576 L577 V578 T673 T674 I695 | L566-K574 HydrophobicContact CB-CG 4.15Å; G568-K574 PolarHBondContact O-NZ 3.05Å; P569-K574 WeakPolarHBondContact O-CE 3.4Å; P569-K574 PolarHBondContact O-NZ 2.84Å; V572-K574 HydrophobicContact CG2-CD 4.26Å; V572-K574 HydrophobicContact CG2-CG 3.95Å; K574-M576 VanDerWaalsContact C-N 3.34Å; K574-L577 PolarHBondContact O-N 2.67Å; K574-V578 PolarHBondContact O-N 3.33Å; K574-T673 HydrophobicContact CB-CG2 4.07Å; K574-T674 PolarHBondContact NZ-O 3.23Å; K574-I695 HydrophobicContact CG-CD1 3.89Å |
| 575 | S | 91.3 | Very high | 90.1 | Very high | 37 Ų | 37 | 16.6 Ų | 16.6 | 26% | 0.259 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -68.5 | -34.2 | 179.1 | -50.9 | 0 | 0 | 0 | 0 | 112.3 | G573 L577 V578 H579 | G573-S575 VanDerWaalsContact C-N 3.33Å; G573-S575 PolarHBondContact O-N 3.39Å; S575-L577 VanDerWaalsContact C-N 3.32Å; S575-L577 PolarHBondContact O-N 2.72Å; S575-V578 PolarHBondContact O-N 3.42Å; S575-H579 PolarHBondContact O-CD2 3.13Å; S575-H579 PolarHBondContact O-N 3.45Å; S575-H579 VanDerWaalsContact O-N 3.13Å |
| 576 | M | 91.3 | Very high | 89.6 | Confident | 47 Ų | 47 | 17.3 Ų | 17.3 | 23% | 0.232 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.6 | -40.9 | 176.2 | 178.4 | -177.1 | 161.7 | 0 | 0 | 111 | F507 D511 F512 G573 K574 V578 H579 A580 | F507-M576 HydrophobicContact CB-CG 4.24Å; F507-M576 HydrophobicContact CD1-CE 4.25Å; F507-M576 HydrophobicContact CD1-CG 4.22Å; F507-M576 HydrophobicContact CD2-CG 4.2Å; F507-M576 HydrophobicContact CG-CG 3.96Å; D511-M576 HydrophobicContact CB-CE 3.49Å; D511-M576 VanDerWaalsContact CB-CE 3.49Å; D511-M576 WeakPolarHBondContact O-CE 3.5Å; F512-M576 HydrophobicContact CB-CE 4.48Å; G573-M576 WeakPolarHBondContact O-CA 3.11Å; G573-M576 WeakPolarHBondContact O-CB 3.31Å; G573-M576 PolarHBondContact O-N 3Å; K574-M576 VanDerWaalsContact C-N 3.34Å; M576-V578 PolarHBondContact O-N 3Å; M576-H579 PolarHBondContact O-N 3.31Å; M576-A580 WeakPolarHBondContact O-CB 3.47Å; M576-A580 PolarHBondContact O-N 3.39Å |
| 577 | L | 92.6 | Very high | 89.3 | Confident | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.2 | -39.6 | 176 | -70.9 | 166 | 0 | 0 | 0 | 112.6 | M509 F512 V537 L541 L566 G573 K574 S575 A580 I581 I695 | M509-L577 HydrophobicContact CE-CD2 4.42Å; M509-L577 HydrophobicContact SD-CD2 4.1Å; F512-L577 HydrophobicContact CB-CD2 4.08Å; F512-L577 HydrophobicContact CD1-CD2 3.89Å; F512-L577 HydrophobicContact CD2-CD1 4.43Å; F512-L577 HydrophobicContact CD2-CD2 3.74Å; F512-L577 HydrophobicContact CD2-CG 3.99Å; F512-L577 HydrophobicContact CE1-CD1 4.4Å; F512-L577 HydrophobicContact CE1-CD2 4.21Å; F512-L577 HydrophobicContact CE2-CD1 3.94Å; F512-L577 HydrophobicContact CE2-CD2 4.09Å; F512-L577 HydrophobicContact CE2-CG 3.98Å; F512-L577 HydrophobicContact CG-CD2 3.63Å; F512-L577 HydrophobicContact CG-CG 4.38Å; F512-L577 HydrophobicContact CZ-CD1 3.92Å; F512-L577 HydrophobicContact CZ-CD2 4.3Å; F512-L577 HydrophobicContact CZ-CG 4.36Å; V537-L577 HydrophobicContact CG1-CD1 4.2Å; L541-L577 HydrophobicContact CD1-CB 4.07Å; L541-L577 HydrophobicContact CD1-CD1 3.71Å; L541-L577 HydrophobicContact CD1-CD2 3.87Å; L541-L577 HydrophobicContact CD1-CG 4.1Å; L566-L577 HydrophobicContact CD1-CB 4.25Å; G573-L577 PolarHBondContact O-N 3.21Å; K574-L577 PolarHBondContact O-N 2.67Å; S575-L577 VanDerWaalsContact C-N 3.32Å; S575-L577 PolarHBondContact O-N 2.72Å; L577-A580 PolarHBondContact O-N 2.68Å; L577-I581 WeakPolarHBondContact O-CG1 3.48Å; L577-I581 PolarHBondContact O-N 2.89Å; L577-I695 HydrophobicContact CD1-CD1 3.52Å |
| 578 | V | 93.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.7 | -45.3 | 176 | -178.4 | 0 | 0 | 0 | 0 | 111.1 | L566 K574 S575 M576 A580 I581 C582 M589 V625 W627 I671 T673 | L566-V578 HydrophobicContact CD1-CG2 4.1Å; K574-V578 PolarHBondContact O-N 3.33Å; S575-V578 PolarHBondContact O-N 3.42Å; M576-V578 PolarHBondContact O-N 3Å; V578-A580 VanDerWaalsContact C-N 3.31Å; V578-A580 PolarHBondContact O-N 3.03Å; V578-I581 PolarHBondContact O-N 3.44Å; V578-C582 PolarHBondContact O-N 2.72Å; V578-C582 VanDerWaalsContact O-N 3.17Å; V578-C582 PolarHBondContact O-SG 2.94Å; V578-M589 HydrophobicContact CG1-CE 3.89Å; V578-V625 HydrophobicContact CG1-CG1 4.33Å; V578-W627 HydrophobicContact CG1-CB 4.05Å; V578-W627 HydrophobicContact CG1-CD2 4.41Å; V578-W627 HydrophobicContact CG1-CG 3.8Å; V578-I671 HydrophobicContact CG1-CD1 4.44Å; V578-I671 HydrophobicContact CG2-CB 4.43Å; V578-I671 HydrophobicContact CG2-CG2 3.76Å; V578-T673 HydrophobicContact CG2-CG2 3.92Å |
| 579 | H | 91.6 | Very high | 89.1 | Confident | 18 Ų | 18 | 19.1 Ų | 19.1 | 8% | 0.083 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.8 | -39 | 175.4 | -69 | -58.8 | 0 | 0 | 0 | 112 | K505 F507 S575 M576 C582 Q583 M589 | K505-H579 HydrophobicContact CB-CB 4.31Å; K505-H579 PolarHBondContact N-ND1 3.16Å; F507-H579 HydrophobicContact CD2-CB 3.98Å; S575-H579 PolarHBondContact O-CD2 3.13Å; S575-H579 PolarHBondContact O-N 3.45Å; S575-H579 VanDerWaalsContact O-N 3.13Å; M576-H579 PolarHBondContact O-N 3.31Å; H579-C582 PolarHBondContact O-N 3.22Å; H579-Q583 PolarHBondContact O-N 2.92Å; H579-M589 WeakPolarHBondContact ND1-CE 3.17Å |
| 580 | A | 91.4 | Very high | 89.2 | Confident | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.008 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.8 | -45 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F507 M509 M576 L577 V578 C582 Q583 E584 | F507-A580 HydrophobicContact CB-CB 4.41Å; F507-A580 WeakPolarHBondContact O-CA 3.31Å; M509-A580 HydrophobicContact CG-CB 4.03Å; M509-A580 HydrophobicContact SD-CB 3.68Å; M576-A580 WeakPolarHBondContact O-CB 3.47Å; M576-A580 PolarHBondContact O-N 3.39Å; L577-A580 PolarHBondContact O-N 2.68Å; V578-A580 VanDerWaalsContact C-N 3.31Å; V578-A580 PolarHBondContact O-N 3.03Å; A580-C582 VanDerWaalsContact C-N 3.29Å; A580-C582 PolarHBondContact O-N 3.33Å; A580-Q583 PolarHBondContact O-N 3.37Å; A580-Q583 VanDerWaalsContact O-N 3.16Å; A580-E584 VanDerWaalsContact O-CG 3.25Å; A580-E584 WeakPolarHBondContact O-CG 3.15Å; A580-E584 PolarHBondContact O-N 3.3Å |
| 581 | I | 91.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -57.9 | -43.8 | 175.2 | -67.8 | 164.2 | 0 | 0 | 0 | 110.7 | L541 I546 L549 L577 V578 Q583 T585 V625 I671 | L541-I581 HydrophobicContact CD2-CD1 4.32Å; I546-I581 HydrophobicContact CD1-CG1 4.32Å; I546-I581 HydrophobicContact CG1-CB 4.48Å; I546-I581 HydrophobicContact CG1-CG1 4.05Å; I546-I581 HydrophobicContact CG1-CG2 4.32Å; L549-I581 HydrophobicContact CD1-CG2 4.14Å; L577-I581 WeakPolarHBondContact O-CG1 3.48Å; L577-I581 PolarHBondContact O-N 2.89Å; V578-I581 PolarHBondContact O-N 3.44Å; I581-Q583 VanDerWaalsContact C-N 3.34Å; I581-Q583 PolarHBondContact O-N 3.13Å; I581-T585 HydrophobicContact CG2-CG2 4.46Å; I581-T585 WeakPolarHBondContact O-CB 3.46Å; I581-T585 WeakPolarHBondContact O-CG2 3.44Å; I581-T585 PolarHBondContact O-N 2.97Å; I581-T585 VanDerWaalsContact O-N 3.1Å; I581-T585 PolarHBondContact O-OG1 2.91Å; I581-V625 HydrophobicContact CG2-CG2 4.42Å; I581-I671 HydrophobicContact CD1-CD1 3.8Å; I581-I671 HydrophobicContact CG2-CD1 4.42Å |
| 582 | C | 89.8 | Confident | 89.6 | Confident | 2 Ų | 2 | 14 Ų | 14 | 1% | 0.014 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -64.4 | -39.5 | 178.8 | -60.5 | 0 | 0 | 0 | 0 | 112.1 | A504 V578 H579 A580 G586 A587 M589 | A504-C582 HydrophobicContact CB-CB 3.7Å; V578-C582 PolarHBondContact O-N 2.72Å; V578-C582 VanDerWaalsContact O-N 3.17Å; V578-C582 PolarHBondContact O-SG 2.94Å; H579-C582 PolarHBondContact O-N 3.22Å; A580-C582 VanDerWaalsContact C-N 3.29Å; A580-C582 PolarHBondContact O-N 3.33Å; C582-G586 CarbonylContact O-C 3.55Å; C582-G586 WeakPolarHBondContact O-CA 3.43Å; C582-G586 PolarHBondContact O-N 3.45Å; C582-A587 PolarHBondContact O-N 2.98Å; C582-M589 HydrophobicContact CB-CE 4.16Å; C582-M589 WeakPolarHBondContact SG-CE 3.33Å |
| 583 | Q | 87.5 | Confident | 89.4 | Confident | 58 Ų | 58 | 14.1 Ų | 14.1 | 27% | 0.271 | 9% | 0.085 | S | C | . | . | H | α-helix | trans | -69.2 | -44.3 | 180 | -178.5 | 61.5 | 16.3 | 0 | 0 | 112.4 | F507 H579 A580 I581 T585 G586 | F507-Q583 WeakPolarHBondContact O-CB 3.4Å; H579-Q583 PolarHBondContact O-N 2.92Å; A580-Q583 PolarHBondContact O-N 3.37Å; A580-Q583 VanDerWaalsContact O-N 3.16Å; I581-Q583 VanDerWaalsContact C-N 3.34Å; I581-Q583 PolarHBondContact O-N 3.13Å; Q583-T585 VanDerWaalsContact C-N 3.34Å; Q583-G586 PolarHBondContact O-N 2.89Å |
| 584 | E | 86.5 | Confident | 89 | Confident | 29 Ų | 29 | 13.1 Ų | 13.1 | 14% | 0.136 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -71.3 | -29.4 | -178.2 | -63.8 | -69.2 | 179.4 | 0 | 0 | 112.6 | I120 V125 R508 M509 I546 A580 | I120-E584 HydrophobicContact CD1-CB 4.16Å; I120-E584 HydrophobicContact CD1-CG 3.68Å; I120-E584 HydrophobicContact CG2-CB 4.17Å; V125-E584 VanDerWaalsContact CG2-O 3.25Å; V125-E584 WeakPolarHBondContact CG2-O 3.14Å; R508-E584 WeakPolarHBondContact CA-OE1 3.3Å; R508-E584 WeakPolarHBondContact CB-OE1 3.31Å; M509-E584 HydrophobicContact CB-CG 4.37Å; M509-E584 HydrophobicContact CG-CG 3.88Å; M509-E584 PolarHBondContact N-OE1 3.03Å; I546-E584 HydrophobicContact CD1-CB 4.27Å; I546-E584 HydrophobicContact CD1-CG 4.43Å; I546-E584 HydrophobicContact CG2-CB 4.26Å; A580-E584 VanDerWaalsContact O-CG 3.25Å; A580-E584 WeakPolarHBondContact O-CG 3.15Å; A580-E584 PolarHBondContact O-N 3.3Å |
| 585 | T | 85.7 | Confident | 88.5 | Confident | 5 Ų | 5 | 18.3 Ų | 18.3 | 3% | 0.031 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -94.8 | -8.9 | 178.4 | 59.4 | 0 | 0 | 0 | 0 | 113.2 | I546 L549 I581 Q583 A587 P623 | I546-T585 HydrophobicContact CB-CG2 4.25Å; I546-T585 HydrophobicContact CG1-CG2 4.45Å; I546-T585 HydrophobicContact CG2-CG2 3.89Å; L549-T585 HydrophobicContact CB-CG2 3.66Å; L549-T585 HydrophobicContact CD1-CG2 4.19Å; I581-T585 HydrophobicContact CG2-CG2 4.46Å; I581-T585 WeakPolarHBondContact O-CB 3.46Å; I581-T585 WeakPolarHBondContact O-CG2 3.44Å; I581-T585 PolarHBondContact O-N 2.97Å; I581-T585 VanDerWaalsContact O-N 3.1Å; I581-T585 PolarHBondContact O-OG1 2.91Å; Q583-T585 VanDerWaalsContact C-N 3.34Å; T585-A587 PolarHBondContact O-N 3.33Å; T585-A587 VanDerWaalsContact OG1-CB 3.25Å; T585-A587 WeakPolarHBondContact OG1-CB 3.35Å; T585-A587 PolarHBondContact OG1-N 3.42Å; T585-P623 WeakPolarHBondContact O-CG 3.14Å |
| 586 | G | 83.4 | Confident | 87.9 | Confident | 15 Ų | 15 | 17.1 Ų | 17.1 | 16% | 0.155 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | 21.3 | -171 | 0 | 0 | 0 | 0 | 0 | 113.7 | C582 Q583 | C582-G586 CarbonylContact O-C 3.55Å; C582-G586 WeakPolarHBondContact O-CA 3.43Å; C582-G586 PolarHBondContact O-N 3.45Å; Q583-G586 PolarHBondContact O-N 2.89Å |
| 587 | A | 86.9 | Confident | 87.2 | Confident | 10 Ų | 10 | 15.5 Ų | 15.5 | 8% | 0.083 | 8% | 0.079 | C | C | . | . | P | Polyproline II helix | trans | -78 | 147.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | C582 T585 P623 V625 | C582-A587 PolarHBondContact O-N 2.98Å; T585-A587 PolarHBondContact O-N 3.33Å; T585-A587 VanDerWaalsContact OG1-CB 3.25Å; T585-A587 WeakPolarHBondContact OG1-CB 3.35Å; T585-A587 PolarHBondContact OG1-N 3.42Å; A587-P623 WeakPolarHBondContact CA-O 3.47Å; A587-P623 HydrophobicContact CB-CB 4.11Å; A587-P623 HydrophobicContact CB-CG 4.12Å; A587-P623 VanDerWaalsContact CB-O 3.31Å; A587-P623 WeakPolarHBondContact CB-O 3.46Å; A587-V625 HydrophobicContact CB-CG2 3.88Å |
| 588 | T | 87.9 | Confident | 86.3 | Confident | 26 Ų | 26 | 16.9 Ų | 16.9 | 16% | 0.16 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 133.1 | 172.3 | 45.9 | 0 | 0 | 0 | 0 | 110.8 | L621 P623 S624 V625 | T588-L621 HydrophobicContact CG2-CB 4.08Å; T588-L621 HydrophobicContact CG2-CD1 4.3Å; T588-L621 PolarHBondContact OG1-O 3.02Å; T588-P623 PolarHBondContact N-O 3.01Å; T588-P623 PolarHBondContact OG1-O 2.88Å; T588-S624 WeakPolarHBondContact O-CA 3.08Å; T588-S624 PolarHBondContact OG1-OG 3.4Å; T588-V625 PolarHBondContact O-N 3.2Å |
| 589 | M | 90.1 | Very high | 85.1 | Confident | 4 Ų | 4 | 20.3 Ų | 20.3 | 2% | 0.02 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 120.4 | -176.2 | 174.3 | 178.8 | -71.8 | 0 | 0 | 111.5 | K502 A504 V578 H579 C582 V625 W627 | K502-M589 PolarHBondContact N-O 3.43Å; A504-M589 HydrophobicContact CB-CB 4.5Å; A504-M589 HydrophobicContact CB-CE 4.06Å; V578-M589 HydrophobicContact CG1-CE 3.89Å; H579-M589 WeakPolarHBondContact ND1-CE 3.17Å; C582-M589 HydrophobicContact CB-CE 4.16Å; C582-M589 WeakPolarHBondContact SG-CE 3.33Å; M589-V625 WeakPolarHBondContact CA-O 3.42Å; M589-W627 HydrophobicContact SD-CE3 4.27Å |
| 590 | F | 91.6 | Very high | 84.3 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 127 | 171.6 | -61.2 | -88.7 | 0 | 0 | 0 | 110.2 | L495 L500 L501 V614 V617 A618 V625 I626 W627 | L495-F590 HydrophobicContact CD1-CE1 4.14Å; L500-F590 CarbonylContact O-C 3.59Å; L500-F590 VanDerWaalsContact O-CA 3.24Å; L500-F590 WeakPolarHBondContact O-CA 3.42Å; L501-F590 HydrophobicContact CD1-CD1 3.87Å; L501-F590 HydrophobicContact CD1-CE1 3.56Å; L501-F590 HydrophobicContact CD1-CE2 4.37Å; L501-F590 HydrophobicContact CD1-CG 4.42Å; L501-F590 HydrophobicContact CD1-CZ 3.83Å; F590-V614 HydrophobicContact CB-CG1 4.12Å; F590-V614 HydrophobicContact CD1-CG1 3.97Å; F590-V614 HydrophobicContact CG-CG1 4.08Å; F590-V617 HydrophobicContact CE1-CB 4.3Å; F590-V617 HydrophobicContact CE1-CG1 4Å; F590-V617 HydrophobicContact CZ-CB 4.3Å; F590-V617 HydrophobicContact CZ-CG1 3.85Å; F590-A618 HydrophobicContact CD2-CB 4.09Å; F590-A618 HydrophobicContact CE2-CB 3.63Å; F590-A618 HydrophobicContact CZ-CB 4.09Å; F590-V625 PolarHBondContact N-O 3.2Å; F590-I626 HydrophobicContact CB-CG1 4.26Å; F590-I626 HydrophobicContact CD2-CG1 4.42Å; F590-I626 CarbonylContact O-C 3.58Å; F590-I626 WeakPolarHBondContact O-CA 3.39Å; F590-W627 PolarHBondContact O-N 3.18Å |
| 591 | D | 90.5 | Very high | 83.4 | Confident | 4 Ų | 4 | 23.6 Ų | 23.6 | 2% | 0.021 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 103.3 | 179.5 | -175.1 | 3.9 | 0 | 0 | 0 | 111.3 | L500 K502 S593 W627 | L500-D591 WeakPolarHBondContact CD2-O 3.33Å; L500-D591 PolarHBondContact O-N 3Å; K502-D591 HydrophobicContact CD-CB 3.84Å; K502-D591 WeakPolarHBondContact CE-OD2 3.43Å; K502-D591 HydrophobicContact CG-CB 4.28Å; K502-D591 IonicContact NZ-OD2 3.16Å; K502-D591 PolarHBondContact NZ-OD2 3.43Å; D591-S593 WeakPolarHBondContact OD1-CB 3.2Å; D591-S593 PolarHBondContact OD1-N 3.3Å; D591-S593 PolarHBondContact OD1-OG 2.93Å; D591-W627 HydrophobicContact CB-CE3 4.37Å |
| 592 | L | 88.1 | Confident | 82.6 | Confident | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | trans | -101 | 27 | 174.5 | -67.3 | -175 | 0 | 0 | 0 | 112.3 | L500 T597 M610 L611 V614 I626 W627 I628 M634 L655 | L500-L592 HydrophobicContact CD2-CD2 4.25Å; L592-T597 HydrophobicContact CD2-CG2 4.21Å; L592-M610 HydrophobicContact CD2-CE 4.43Å; L592-L611 HydrophobicContact CD1-CD2 4Å; L592-V614 HydrophobicContact CD1-CG1 4.38Å; L592-V614 HydrophobicContact CD2-CG1 4.44Å; L592-V614 HydrophobicContact CD2-CG2 4.25Å; L592-I626 HydrophobicContact CB-CG2 4.33Å; L592-I626 HydrophobicContact CD1-CG2 3.52Å; L592-I626 HydrophobicContact CG-CG2 3.86Å; L592-W627 PolarHBondContact N-O 3.23Å; L592-I628 HydrophobicContact CB-CG1 4.07Å; L592-M634 WeakPolarHBondContact O-CE 3.44Å; L592-L655 HydrophobicContact CD1-CD1 4.26Å | ||
| 593 | S | 85.5 | Confident | 81.9 | Confident | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | trans | -59.7 | 146.4 | 177.1 | -60.5 | 0 | 0 | 0 | 0 | 111.6 | D591 Y595 S596 T597 Q629 | D591-S593 WeakPolarHBondContact OD1-CB 3.2Å; D591-S593 PolarHBondContact OD1-N 3.3Å; D591-S593 PolarHBondContact OD1-OG 2.93Å; S593-Y595 PolarHBondContact O-N 3.44Å; S593-Y595 VanDerWaalsContact O-N 3.11Å; S593-S596 WeakPolarHBondContact O-CA 3.21Å; S593-S596 WeakPolarHBondContact O-CB 3.34Å; S593-S596 PolarHBondContact O-N 2.9Å; S593-T597 PolarHBondContact O-N 3.03Å; S593-T597 PolarHBondContact O-OG1 2.99Å; S593-Q629 WeakPolarHBondContact OG-CA 3.46Å; S593-Q629 WeakPolarHBondContact OG-CB 3.46Å; S593-Q629 PolarHBondContact OG-N 3.1Å | ||
| 594 | P | 80.8 | Confident | 81.3 | Confident | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.013 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -51.9 | -40.1 | -179.9 | -26.3 | 34.8 | 0 | 0 | 0 | 112.8 | T597 A598 Q629 K633 M634 | P594-T597 WeakPolarHBondContact CA-OG1 3.29Å; P594-T597 PolarHBondContact O-N 3.28Å; P594-T597 PolarHBondContact O-OG1 3.08Å; P594-A598 WeakPolarHBondContact O-CB 3.45Å; P594-A598 PolarHBondContact O-N 3.45Å; P594-Q629 WeakPolarHBondContact CD-O 3.21Å; P594-K633 HydrophobicContact CB-CB 4.47Å; P594-K633 HydrophobicContact CG-CB 3.98Å; P594-M634 HydrophobicContact CG-CE 3.87Å; P594-M634 HydrophobicContact CG-CG 3.99Å |
| 595 | Y | 81 | Confident | 80.8 | Confident | 122 Ų | 122 | 40.2 Ų | 40.2 | 48% | 0.478 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.8 | -37.8 | 174.6 | -67.2 | -70.1 | 0 | 0 | 0 | 113.9 | S593 K633 L646 | S593-Y595 PolarHBondContact O-N 3.44Å; S593-Y595 VanDerWaalsContact O-N 3.11Å; Y595-K633 HydrophobicContact CE2-CD 4.34Å; Y595-K633 VanDerWaalsContact CZ-NZ 3.3Å; Y595-K633 PolarHBondContact OH-NZ 3.48Å; Y595-L646 HydrophobicContact CD1-CD1 4.2Å; Y595-L646 HydrophobicContact CD1-CD2 4.26Å; Y595-L646 HydrophobicContact CE1-CD1 3.76Å |
| 596 | S | 79.3 | Confident | 80.4 | Confident | 11 Ų | 11 | 40.6 Ų | 40.6 | 8% | 0.077 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -72.6 | -34 | 177.5 | -165.4 | 0 | 0 | 0 | 0 | 111 | G499 S593 K600 | G499-S596 PolarHBondContact O-OG 2.64Å; S593-S596 WeakPolarHBondContact O-CA 3.21Å; S593-S596 WeakPolarHBondContact O-CB 3.34Å; S593-S596 PolarHBondContact O-N 2.9Å; S596-K600 WeakPolarHBondContact O-CD 3.46Å; S596-K600 WeakPolarHBondContact O-CE 3.26Å; S596-K600 PolarHBondContact O-NZ 3.48Å |
| 597 | T | 76.5 | Confident | 80.2 | Confident | 14 Ų | 14 | 40.1 Ų | 40.1 | 9% | 0.086 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -90.6 | -9.5 | -176.5 | 57.4 | 0 | 0 | 0 | 0 | 114.6 | L500 L592 S593 P594 G599 K600 M610 L651 | L500-T597 HydrophobicContact CD2-CG2 4.18Å; L592-T597 HydrophobicContact CD2-CG2 4.21Å; S593-T597 PolarHBondContact O-N 3.03Å; S593-T597 PolarHBondContact O-OG1 2.99Å; P594-T597 WeakPolarHBondContact CA-OG1 3.29Å; P594-T597 PolarHBondContact O-N 3.28Å; P594-T597 PolarHBondContact O-OG1 3.08Å; T597-G599 PolarHBondContact O-N 3.47Å; T597-K600 PolarHBondContact O-N 3.42Å; T597-M610 HydrophobicContact CG2-CE 4.04Å; T597-M610 HydrophobicContact CG2-SD 4.47Å; T597-L651 HydrophobicContact CG2-CD1 4.1Å |
| 598 | A | 72.9 | Confident | 79.9 | Confident | 29 Ų | 29 | 41.7 Ų | 41.7 | 24% | 0.24 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | 130.8 | 180 | 0 | 0 | 0 | 0 | 0 | 110.8 | P594 K600 L646 | P594-A598 WeakPolarHBondContact O-CB 3.45Å; P594-A598 PolarHBondContact O-N 3.45Å; A598-K600 PolarHBondContact O-N 3.07Å; A598-K600 VanDerWaalsContact O-N 3.07Å; A598-L646 HydrophobicContact CB-CD2 3.78Å |
| 599 | G | 67.9 | Low | 79.5 | Confident | 73 Ų | 73 | 42.7 Ų | 42.7 | 75% | 0.753 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.6 | -11.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | T597 | T597-G599 PolarHBondContact O-N 3.47Š|
| 600 | K | 75.5 | Confident | 79.3 | Confident | 50 Ų | 50 | 42.6 Ų | 42.6 | 22% | 0.217 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -82.9 | 140 | -179.3 | -61.5 | -175.3 | -174.3 | 150.8 | 0 | 111.9 | Q498 S596 T597 A598 R650 | Q498-K600 HydrophobicContact CB-CD 4.31Å; Q498-K600 WeakPolarHBondContact O-CD 3.37Å; Q498-K600 VanDerWaalsContact O-CE 3.25Å; Q498-K600 WeakPolarHBondContact O-CE 3.27Å; Q498-K600 PolarHBondContact O-NZ 2.92Å; S596-K600 WeakPolarHBondContact O-CD 3.46Å; S596-K600 WeakPolarHBondContact O-CE 3.26Å; S596-K600 PolarHBondContact O-NZ 3.48Å; T597-K600 PolarHBondContact O-N 3.42Å; A598-K600 PolarHBondContact O-N 3.07Å; A598-K600 VanDerWaalsContact O-N 3.07Å; K600-R650 PolarHBondContact O-NH1 2.92Å |
| 601 | Y | 72 | Confident | 79 | Confident | 37 Ų | 37 | 42.7 Ų | 42.7 | 15% | 0.145 | 26% | 0.259 | C | S | . | . | S | Bend | trans | 47.5 | 63.1 | 179.1 | -63.8 | -88.9 | 0 | 0 | 0 | 115 | E494 Q498 G606 M609 M610 R650 | E494-Y601 VanDerWaalsContact CD-OH 3.31Å; E494-Y601 WeakPolarHBondContact CG-OH 3.36Å; E494-Y601 WeakPolarHBondContact OE1-CE1 3.11Å; E494-Y601 PolarHBondContact OE1-OH 2.78Å; Q498-Y601 HydrophobicContact CG-CE2 3.99Å; Y601-G606 CarbonylContact O-C 3.49Å; Y601-M609 HydrophobicContact CE1-CE 4.46Å; Y601-M610 HydrophobicContact CD2-CB 3.84Å; Y601-M610 HydrophobicContact CD2-CG 3.81Å; Y601-M610 HydrophobicContact CD2-SD 3.91Å; Y601-M610 HydrophobicContact CE2-CB 4.24Å; Y601-M610 HydrophobicContact CE2-CG 4Å; Y601-M610 HydrophobicContact CE2-SD 4.47Å; Y601-M610 HydrophobicContact CG-CB 4.09Å; Y601-R650 PolarHBondContact O-NH2 3.34Å |
| 602 | P | 74.2 | Confident | 78.7 | Confident | 111 Ų | 111 | 44.1 Ų | 44.1 | 72% | 0.721 | 27% | 0.265 | S | S | * | . | trans | -54.9 | 146.7 | -171.2 | 23.6 | -34.3 | 0 | 0 | 0 | 114.2 | ||||
| 603 | G | 77 | Confident | 78.6 | Confident | 42 Ų | 42 | 44 Ų | 44 | 43% | 0.433 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | 91.4 | 168.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | L607 R650 | G603-L607 PolarHBondContact O-N 3.31Å; G603-R650 PolarHBondContact O-NH2 3.49Å |
| 604 | K | 74 | Confident | 78.7 | Confident | 184 Ų | 184 | 43.9 Ų | 43.9 | 80% | 0.8 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -64.1 | -43.8 | 175 | -67.7 | 178.1 | -175.9 | 167.4 | 0 | 113.9 | A608 | K604-A608 PolarHBondContact O-N 3.02Å |
| 605 | P | 75.3 | Confident | 79.1 | Confident | 102 Ų | 102 | 44.8 Ų | 44.8 | 66% | 0.662 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -68.3 | -37.1 | 179 | 25.5 | -32.6 | 0 | 0 | 0 | 112.2 | A608 M609 | P605-A608 PolarHBondContact O-N 3.41Å; P605-M609 WeakPolarHBondContact O-CB 3.17Å; P605-M609 PolarHBondContact O-N 2.89Å |
| 606 | G | 78.2 | Confident | 79.5 | Confident | 13 Ų | 13 | 40.9 Ų | 40.9 | 13% | 0.134 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.2 | -42.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | Y601 A608 M609 M610 | Y601-G606 CarbonylContact O-C 3.49Å; G606-A608 PolarHBondContact O-N 2.97Å; G606-M609 PolarHBondContact O-N 3.07Å; G606-M610 WeakPolarHBondContact O-CB 3.41Å; G606-M610 PolarHBondContact O-N 3.39Å |
| 607 | L | 78.9 | Confident | 79.8 | Confident | 4 Ų | 4 | 40.4 Ų | 40.4 | 2% | 0.021 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.2 | -43.8 | 174.9 | -170.1 | 80.7 | 0 | 0 | 0 | 112.2 | G603 M609 M610 L611 R650 L651 | G603-L607 PolarHBondContact O-N 3.31Å; L607-M609 VanDerWaalsContact C-N 3.31Å; L607-M609 PolarHBondContact O-N 2.95Å; L607-M610 HydrophobicContact CD1-CE 3.89Å; L607-M610 PolarHBondContact O-N 3.39Å; L607-L611 HydrophobicContact CG-CD1 4.41Å; L607-L611 PolarHBondContact O-N 2.73Å; L607-R650 HydrophobicContact CD1-CG 3.81Å; L607-R650 HydrophobicContact CD2-CG 3.84Å; L607-R650 WeakPolarHBondContact CD2-O 3.32Å; L607-R650 HydrophobicContact CG-CG 4.37Å; L607-L651 HydrophobicContact CD1-CD2 3.7Å; L607-L651 HydrophobicContact CD1-CG 4.27Å; L607-L651 HydrophobicContact CD2-CD2 4.32Å; L607-L651 HydrophobicContact CG-CD2 4.2Å |
| 608 | A | 80.4 | Confident | 80.4 | Confident | 44 Ų | 44 | 39.7 Ų | 39.7 | 36% | 0.364 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64 | -39 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | K604 P605 G606 H612 | K604-A608 PolarHBondContact O-N 3.02Å; P605-A608 PolarHBondContact O-N 3.41Å; G606-A608 PolarHBondContact O-N 2.97Å; A608-H612 WeakPolarHBondContact O-CB 3.43Å; A608-H612 PolarHBondContact O-N 2.83Å |
| 609 | M | 80.6 | Confident | 81.1 | Confident | 47 Ų | 47 | 42.4 Ų | 42.4 | 23% | 0.232 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.1 | -46.8 | 174.3 | 179.6 | 174.6 | 151.7 | 0 | 0 | 111.8 | Y601 P605 G606 L607 L611 H612 M613 | Y601-M609 HydrophobicContact CE1-CE 4.46Å; P605-M609 WeakPolarHBondContact O-CB 3.17Å; P605-M609 PolarHBondContact O-N 2.89Å; G606-M609 PolarHBondContact O-N 3.07Å; L607-M609 VanDerWaalsContact C-N 3.31Å; L607-M609 PolarHBondContact O-N 2.95Å; M609-L611 PolarHBondContact O-N 3.27Å; M609-H612 PolarHBondContact O-N 3.35Å; M609-M613 HydrophobicContact CE-SD 3.77Å; M609-M613 HydrophobicContact CG-CG 4.49Å; M609-M613 HydrophobicContact CG-SD 4Å; M609-M613 WeakPolarHBondContact O-CB 3.47Å; M609-M613 VanDerWaalsContact O-CG 3.3Å; M609-M613 WeakPolarHBondContact O-CG 3.45Å; M609-M613 PolarHBondContact O-N 3.27Å |
| 610 | M | 84.3 | Confident | 82 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.5 | -48.9 | 176.7 | -177 | -167.4 | 75.5 | 0 | 0 | 111.6 | L500 L592 T597 Y601 G606 L607 M613 V614 L651 | L500-M610 HydrophobicContact CD1-CG 3.65Å; L500-M610 HydrophobicContact CD1-SD 3.84Å; L592-M610 HydrophobicContact CD2-CE 4.43Å; T597-M610 HydrophobicContact CG2-CE 4.04Å; T597-M610 HydrophobicContact CG2-SD 4.47Å; Y601-M610 HydrophobicContact CD2-CB 3.84Å; Y601-M610 HydrophobicContact CD2-CG 3.81Å; Y601-M610 HydrophobicContact CD2-SD 3.91Å; Y601-M610 HydrophobicContact CE2-CB 4.24Å; Y601-M610 HydrophobicContact CE2-CG 4Å; Y601-M610 HydrophobicContact CE2-SD 4.47Å; Y601-M610 HydrophobicContact CG-CB 4.09Å; G606-M610 WeakPolarHBondContact O-CB 3.41Å; G606-M610 PolarHBondContact O-N 3.39Å; L607-M610 HydrophobicContact CD1-CE 3.89Å; L607-M610 PolarHBondContact O-N 3.39Å; M610-M613 PolarHBondContact O-N 3.01Å; M610-V614 WeakPolarHBondContact O-CG2 3.49Å; M610-V614 PolarHBondContact O-N 3.16Å; M610-L651 HydrophobicContact CE-CD2 4.29Å |
| 611 | L | 85.7 | Confident | 82.4 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.016 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.2 | -44.3 | 176.3 | -75.5 | 175.5 | 0 | 0 | 0 | 111.3 | L592 L607 M609 M613 V614 F615 L651 D654 L655 | L592-L611 HydrophobicContact CD1-CD2 4Å; L607-L611 HydrophobicContact CG-CD1 4.41Å; L607-L611 PolarHBondContact O-N 2.73Å; M609-L611 PolarHBondContact O-N 3.27Å; L611-M613 VanDerWaalsContact C-N 3.33Å; L611-M613 PolarHBondContact O-N 3.44Å; L611-V614 PolarHBondContact O-N 2.83Å; L611-F615 HydrophobicContact CD2-CE2 4.27Å; L611-F615 WeakPolarHBondContact O-CB 3.46Å; L611-F615 VanDerWaalsContact O-CD2 3.28Å; L611-F615 WeakPolarHBondContact O-CD2 3.44Å; L611-F615 PolarHBondContact O-N 3.15Å; L611-L651 HydrophobicContact CD1-CD2 3.88Å; L611-L651 HydrophobicContact CD2-CD2 3.86Å; L611-L651 HydrophobicContact CG-CD2 4.06Å; L611-D654 HydrophobicContact CD1-CB 3.72Å; L611-L655 HydrophobicContact CD2-CD1 4.2Å |
| 612 | H | 84.9 | Confident | 83 | Confident | 33 Ų | 33 | 41 Ų | 41 | 15% | 0.153 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.4 | -45.1 | 177 | -177.8 | 74.3 | 0 | 0 | 0 | 111.8 | D481 L482 A608 M609 K616 | D481-H612 IonicContact OD1-CD2 2.83Å; D481-H612 IonicContact OD1-CE1 3.28Å; D481-H612 IonicContact OD1-NE2 3.16Å; D481-H612 PolarHBondContact OD1-NE2 2.96Å; L482-H612 HydrophobicContact CD1-CB 4.24Å; L482-H612 PolarHBondContact N-NE2 3.01Å; A608-H612 WeakPolarHBondContact O-CB 3.43Å; A608-H612 PolarHBondContact O-N 2.83Å; M609-H612 PolarHBondContact O-N 3.35Å; H612-K616 WeakPolarHBondContact O-CB 3.49Å; H612-K616 PolarHBondContact O-N 3.28Å |
| 613 | M | 85.3 | Confident | 83.7 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.1 | -49.8 | 175.9 | -72.2 | 170.1 | 63.4 | 0 | 0 | 111.9 | T483 L491 E494 L495 M609 M610 L611 F615 K616 V617 | T483-M613 HydrophobicContact CG2-CG 4.18Å; L491-M613 HydrophobicContact CD2-CE 3.74Å; L491-M613 HydrophobicContact CD2-CG 4.09Å; L491-M613 HydrophobicContact CD2-SD 4.46Å; E494-M613 HydrophobicContact CB-CE 4.13Å; E494-M613 VanDerWaalsContact CD-CE 3.42Å; E494-M613 HydrophobicContact CG-CE 4.04Å; E494-M613 WeakPolarHBondContact OE2-CE 3.33Å; L495-M613 HydrophobicContact CD2-CB 4.45Å; L495-M613 HydrophobicContact CD2-CE 4.43Å; M609-M613 HydrophobicContact CE-SD 3.77Å; M609-M613 HydrophobicContact CG-CG 4.49Å; M609-M613 HydrophobicContact CG-SD 4Å; M609-M613 WeakPolarHBondContact O-CB 3.47Å; M609-M613 VanDerWaalsContact O-CG 3.3Å; M609-M613 WeakPolarHBondContact O-CG 3.45Å; M609-M613 PolarHBondContact O-N 3.27Å; M610-M613 PolarHBondContact O-N 3.01Å; L611-M613 VanDerWaalsContact C-N 3.33Å; L611-M613 PolarHBondContact O-N 3.44Å; M613-F615 PolarHBondContact O-N 3.45Å; M613-K616 PolarHBondContact O-N 2.88Å; M613-V617 WeakPolarHBondContact O-CG2 3.36Å; M613-V617 PolarHBondContact O-N 2.87Å |
| 614 | V | 88.7 | Confident | 84.3 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.3 | -47 | 179.8 | 170.1 | 0 | 0 | 0 | 0 | 111 | L495 L500 F590 L592 M610 L611 A618 I626 | L495-V614 HydrophobicContact CD1-CG2 4.38Å; L495-V614 HydrophobicContact CD2-CG2 3.67Å; L500-V614 HydrophobicContact CD1-CG2 4.2Å; F590-V614 HydrophobicContact CB-CG1 4.12Å; F590-V614 HydrophobicContact CD1-CG1 3.97Å; F590-V614 HydrophobicContact CG-CG1 4.08Å; L592-V614 HydrophobicContact CD1-CG1 4.38Å; L592-V614 HydrophobicContact CD2-CG1 4.44Å; L592-V614 HydrophobicContact CD2-CG2 4.25Å; M610-V614 WeakPolarHBondContact O-CG2 3.49Å; M610-V614 PolarHBondContact O-N 3.16Å; L611-V614 PolarHBondContact O-N 2.83Å; V614-A618 WeakPolarHBondContact O-CB 3.45Å; V614-A618 PolarHBondContact O-N 2.83Å; V614-I626 HydrophobicContact CG1-CD1 4.46Å |
| 615 | F | 89.4 | Confident | 85.3 | Confident | 21 Ų | 21 | 25.5 Ų | 25.5 | 9% | 0.092 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -69.6 | -34.2 | 178.3 | -83.3 | -86.2 | 0 | 0 | 0 | 112.6 | L611 M613 R619 I626 L655 C658 I662 I670 | L611-F615 HydrophobicContact CD2-CE2 4.27Å; L611-F615 WeakPolarHBondContact O-CB 3.46Å; L611-F615 VanDerWaalsContact O-CD2 3.28Å; L611-F615 WeakPolarHBondContact O-CD2 3.44Å; L611-F615 PolarHBondContact O-N 3.15Å; M613-F615 PolarHBondContact O-N 3.45Å; F615-R619 WeakPolarHBondContact O-CB 3.4Å; F615-R619 WeakPolarHBondContact O-CG 3.42Å; F615-R619 PolarHBondContact O-N 2.81Å; F615-I626 HydrophobicContact CD1-CD1 4.11Å; F615-I626 HydrophobicContact CE1-CD1 3.62Å; F615-I626 HydrophobicContact CE2-CD1 4.13Å; F615-I626 HydrophobicContact CZ-CD1 3.64Å; F615-L655 HydrophobicContact CE2-CD1 4.19Å; F615-L655 HydrophobicContact CZ-CD1 4.31Å; F615-C658 HydrophobicContact CD2-CB 3.91Å; F615-C658 HydrophobicContact CE1-CB 4.15Å; F615-C658 HydrophobicContact CE2-CB 3.47Å; F615-C658 VanDerWaalsContact CE2-CB 3.47Å; F615-C658 HydrophobicContact CG-CB 4.43Å; F615-C658 HydrophobicContact CZ-CB 3.61Å; F615-I662 HydrophobicContact CE1-CD1 3.96Å; F615-I662 HydrophobicContact CE1-CG1 4.17Å; F615-I670 HydrophobicContact CE1-CD1 4.29Å; F615-I670 HydrophobicContact CZ-CD1 3.9Å |
| 616 | K | 87.6 | Confident | 86.1 | Confident | 40 Ų | 40 | 20.6 Ų | 20.6 | 17% | 0.174 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.8 | -49.7 | 174.2 | 179.1 | 173.6 | 173.3 | 173.4 | 0 | 110.9 | D481 T483 L491 H612 M613 R619 L620 | D481-K616 IonicContact OD1-NZ 2.64Å; D481-K616 PolarHBondContact OD1-NZ 2.83Å; D481-K616 WeakPolarHBondContact OD2-CE 3.27Å; D481-K616 IonicContact OD2-NZ 3.07Å; D481-K616 PolarHBondContact OD2-NZ 2.91Å; T483-K616 PolarHBondContact O-NZ 3.19Å; T483-K616 PolarHBondContact OG1-NZ 3.03Å; L491-K616 HydrophobicContact CD1-CD 4.19Å; H612-K616 WeakPolarHBondContact O-CB 3.49Å; H612-K616 PolarHBondContact O-N 3.28Å; M613-K616 PolarHBondContact O-N 2.88Å; K616-R619 PolarHBondContact O-N 3.08Å; K616-L620 HydrophobicContact CG-CD1 4.18Å; K616-L620 WeakPolarHBondContact O-CG 3.29Å; K616-L620 PolarHBondContact O-N 2.93Å; K616-L620 VanDerWaalsContact O-N 3.13Å |
| 617 | V | 87 | Confident | 86.9 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66.2 | -41.3 | 178.6 | 179.3 | 0 | 0 | 0 | 0 | 110.8 | L488 L491 L495 F590 M613 R619 L620 L621 | L488-V617 HydrophobicContact CD1-CG1 4.2Å; L488-V617 HydrophobicContact CD1-CG2 4.29Å; L491-V617 HydrophobicContact CB-CG2 3.76Å; L491-V617 HydrophobicContact CD1-CG2 4.32Å; L495-V617 HydrophobicContact CD1-CB 3.89Å; L495-V617 HydrophobicContact CD1-CG1 4.2Å; L495-V617 HydrophobicContact CD1-CG2 3.71Å; F590-V617 HydrophobicContact CE1-CB 4.3Å; F590-V617 HydrophobicContact CE1-CG1 4Å; F590-V617 HydrophobicContact CZ-CB 4.3Å; F590-V617 HydrophobicContact CZ-CG1 3.85Å; M613-V617 WeakPolarHBondContact O-CG2 3.36Å; M613-V617 PolarHBondContact O-N 2.87Å; V617-R619 PolarHBondContact O-N 2.8Å; V617-L620 PolarHBondContact O-N 2.71Å; V617-L620 VanDerWaalsContact O-N 3.09Å; V617-L621 HydrophobicContact CG1-CD1 3.59Å; V617-L621 HydrophobicContact CG1-CG 4.09Å; V617-L621 WeakPolarHBondContact O-CB 3.42Å; V617-L621 PolarHBondContact O-N 2.94Å |
| 618 | A | 88.8 | Confident | 87.5 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.1 | -31.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | F590 V614 Q622 S624 V668 | F590-A618 HydrophobicContact CD2-CB 4.09Å; F590-A618 HydrophobicContact CE2-CB 3.63Å; F590-A618 HydrophobicContact CZ-CB 4.09Å; V614-A618 WeakPolarHBondContact O-CB 3.45Å; V614-A618 PolarHBondContact O-N 2.83Å; A618-Q622 VanDerWaalsContact O-CG 3.3Å; A618-Q622 WeakPolarHBondContact O-CG 3.49Å; A618-S624 WeakPolarHBondContact CA-OG 3.42Å; A618-S624 PolarHBondContact O-OG 2.67Å; A618-V668 HydrophobicContact CB-CG1 4.34Å; A618-V668 HydrophobicContact CB-CG2 4.28Å |
| 619 | R | 88.2 | Confident | 88 | Confident | 85 Ų | 85 | 21.1 Ų | 21.1 | 32% | 0.321 | 10% | 0.098 | S | C | . | . | H | α-helix | trans | -77.5 | -27.5 | 175.2 | -72.4 | 176.5 | 80.2 | 167.7 | 16.4 | 113.2 | F615 K616 V617 Q622 D666 V668 | F615-R619 WeakPolarHBondContact O-CB 3.4Å; F615-R619 WeakPolarHBondContact O-CG 3.42Å; F615-R619 PolarHBondContact O-N 2.81Å; K616-R619 PolarHBondContact O-N 3.08Å; V617-R619 PolarHBondContact O-N 2.8Å; R619-Q622 WeakPolarHBondContact O-CG 3.24Å; R619-Q622 PolarHBondContact O-NE2 3.31Å; R619-D666 IonicContact CZ-OD1 3.89Å; R619-D666 VanDerWaalsContact CZ-OD1 3.28Å; R619-D666 IonicContact CZ-OD2 2.78Å; R619-D666 VanDerWaalsContact CZ-OD2 3.23Å; R619-D666 IonicContact NE-OD1 2.78Å; R619-D666 PolarHBondContact NE-OD1 3.5Å; R619-D666 IonicContact NE-OD2 3.08Å; R619-D666 PolarHBondContact NE-OD2 3.26Å; R619-D666 IonicContact NH2-OD1 3.03Å; R619-D666 PolarHBondContact NH2-OD1 3.45Å; R619-D666 IonicContact NH2-OD2 2.85Å; R619-D666 PolarHBondContact NH2-OD2 3.17Å; R619-V668 HydrophobicContact CG-CG2 4.39Å |
| 620 | L | 85.2 | Confident | 88.3 | Confident | 94 Ų | 94 | 19.3 Ų | 19.3 | 49% | 0.492 | 9% | 0.089 | S | C | . | . | H | α-helix | trans | -82.1 | -33.4 | 177 | -66.9 | 170.2 | 0 | 0 | 0 | 111.6 | L488 K616 V617 | L488-L620 HydrophobicContact CD1-CB 4.04Å; L488-L620 HydrophobicContact CD1-CD1 3.78Å; L488-L620 HydrophobicContact CD2-CB 4.36Å; K616-L620 HydrophobicContact CG-CD1 4.18Å; K616-L620 WeakPolarHBondContact O-CG 3.29Å; K616-L620 PolarHBondContact O-N 2.93Å; K616-L620 VanDerWaalsContact O-N 3.13Å; V617-L620 PolarHBondContact O-N 2.71Å; V617-L620 VanDerWaalsContact O-N 3.09Å |
| 621 | L | 83.7 | Confident | 88.4 | Confident | 8 Ų | 8 | 19.2 Ų | 19.2 | 4% | 0.042 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -99.6 | 32.1 | -177.8 | -61.2 | -178.1 | 0 | 0 | 0 | 113.9 | L488 T588 V617 P623 S624 | L488-L621 HydrophobicContact CD2-CD2 4.2Å; T588-L621 HydrophobicContact CG2-CB 4.08Å; T588-L621 HydrophobicContact CG2-CD1 4.3Å; T588-L621 PolarHBondContact OG1-O 3.02Å; V617-L621 HydrophobicContact CG1-CD1 3.59Å; V617-L621 HydrophobicContact CG1-CG 4.09Å; V617-L621 WeakPolarHBondContact O-CB 3.42Å; V617-L621 PolarHBondContact O-N 2.94Å; L621-P623 VanDerWaalsContact O-O 3.14Å; L621-S624 PolarHBondContact O-OG 3.4Å |
| 622 | Q | 85.4 | Confident | 88.3 | Confident | 30 Ų | 30 | 19.6 Ų | 19.6 | 14% | 0.14 | 9% | 0.09 | C | C | . | . | trans | -64 | 139.4 | -177.4 | -69.9 | 178.9 | 37.3 | 0 | 0 | 112.8 | R135 A618 R619 R667 V668 | R135-Q622 PolarHBondContact NH1-O 3Å; A618-Q622 VanDerWaalsContact O-CG 3.3Å; A618-Q622 WeakPolarHBondContact O-CG 3.49Å; R619-Q622 WeakPolarHBondContact O-CG 3.24Å; R619-Q622 PolarHBondContact O-NE2 3.31Å; Q622-R667 HydrophobicContact CB-CB 4.35Å; Q622-R667 HydrophobicContact CG-CB 4.49Å; Q622-V668 HydrophobicContact CG-CG2 4.42Å | ||
| 623 | P | 89.1 | Confident | 88.2 | Confident | 10 Ų | 10 | 18.7 Ų | 18.7 | 7% | 0.065 | 9% | 0.086 | C | C | . | . | S | Bend | cis | -77.2 | 147.3 | 4.6 | 30.6 | -32.2 | 0 | 0 | 0 | 112.9 | L549 T585 A587 T588 L621 R667 | L549-P623 HydrophobicContact CB-CB 4.46Å; L549-P623 HydrophobicContact CD2-CB 4.32Å; T585-P623 WeakPolarHBondContact O-CG 3.14Å; A587-P623 WeakPolarHBondContact CA-O 3.47Å; A587-P623 HydrophobicContact CB-CB 4.11Å; A587-P623 HydrophobicContact CB-CG 4.12Å; A587-P623 VanDerWaalsContact CB-O 3.31Å; A587-P623 WeakPolarHBondContact CB-O 3.46Å; T588-P623 PolarHBondContact N-O 3.01Å; T588-P623 PolarHBondContact OG1-O 2.88Å; L621-P623 VanDerWaalsContact O-O 3.14Å; P623-R667 HydrophobicContact CB-CB 4.37Å |
| 624 | S | 90.6 | Very high | 88 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 142.1 | -178.4 | -63.3 | 0 | 0 | 0 | 0 | 112.6 | T588 A618 L621 R667 V668 L669 | T588-S624 WeakPolarHBondContact O-CA 3.08Å; T588-S624 PolarHBondContact OG1-OG 3.4Å; A618-S624 WeakPolarHBondContact CA-OG 3.42Å; A618-S624 PolarHBondContact O-OG 2.67Å; L621-S624 PolarHBondContact O-OG 3.4Å; S624-R667 PolarHBondContact N-O 3.11Å; S624-R667 VanDerWaalsContact N-O 3.07Å; S624-V668 WeakPolarHBondContact O-CA 3.49Å; S624-L669 PolarHBondContact O-N 3.31Å |
| 625 | V | 93.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 122.1 | 176.8 | 176.7 | 0 | 0 | 0 | 0 | 109.6 | L549 V578 I581 A587 T588 M589 F590 L669 I671 | L549-V625 HydrophobicContact CD1-CG2 3.8Å; V578-V625 HydrophobicContact CG1-CG1 4.33Å; I581-V625 HydrophobicContact CG2-CG2 4.42Å; A587-V625 HydrophobicContact CB-CG2 3.88Å; T588-V625 PolarHBondContact O-N 3.2Å; M589-V625 WeakPolarHBondContact CA-O 3.42Å; F590-V625 PolarHBondContact N-O 3.2Å; V625-L669 CarbonylContact C-O 3.51Å; V625-L669 WeakPolarHBondContact CA-O 3.39Å; V625-I671 HydrophobicContact CG1-CD1 3.71Å; V625-I671 HydrophobicContact CG1-CG1 3.99Å |
| 626 | I | 93.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 108.4 | 174.1 | -57.7 | 176 | 0 | 0 | 0 | 108 | F590 L592 V614 F615 V668 L669 I670 I671 | F590-I626 HydrophobicContact CB-CG1 4.26Å; F590-I626 HydrophobicContact CD2-CG1 4.42Å; F590-I626 CarbonylContact O-C 3.58Å; F590-I626 WeakPolarHBondContact O-CA 3.39Å; L592-I626 HydrophobicContact CB-CG2 4.33Å; L592-I626 HydrophobicContact CD1-CG2 3.52Å; L592-I626 HydrophobicContact CG-CG2 3.86Å; V614-I626 HydrophobicContact CG1-CD1 4.46Å; F615-I626 HydrophobicContact CD1-CD1 4.11Å; F615-I626 HydrophobicContact CE1-CD1 3.62Å; F615-I626 HydrophobicContact CE2-CD1 4.13Å; F615-I626 HydrophobicContact CZ-CD1 3.64Å; I626-V668 HydrophobicContact CD1-CG1 3.83Å; I626-V668 HydrophobicContact CG1-CG1 4.16Å; I626-L669 PolarHBondContact N-O 3.04Å; I626-I670 HydrophobicContact CB-CG1 4.25Å; I626-I670 HydrophobicContact CD1-CG1 4.37Å; I626-I670 CarbonylContact O-C 3.54Å; I626-I670 WeakPolarHBondContact O-CA 3.45Å; I626-I671 PolarHBondContact O-N 3.14Å |
| 627 | W | 94.4 | Very high | 86.7 | Confident | 16 Ų | 16 | 23 Ų | 23 | 6% | 0.061 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 133.2 | -179.6 | -178.7 | 41.5 | 0 | 0 | 0 | 111.8 | V578 M589 F590 D591 L592 Q629 I671 | V578-W627 HydrophobicContact CG1-CB 4.05Å; V578-W627 HydrophobicContact CG1-CD2 4.41Å; V578-W627 HydrophobicContact CG1-CG 3.8Å; M589-W627 HydrophobicContact SD-CE3 4.27Å; F590-W627 PolarHBondContact O-N 3.18Å; D591-W627 HydrophobicContact CB-CE3 4.37Å; L592-W627 PolarHBondContact N-O 3.23Å; W627-Q629 HydrophobicContact CH2-CB 4.16Å; W627-Q629 HydrophobicContact CH2-CG 4.23Å; W627-Q629 VanDerWaalsContact CH2-OE1 3.3Å; W627-Q629 HydrophobicContact CZ2-CB 3.69Å; W627-Q629 HydrophobicContact CZ2-CG 3.69Å; W627-I671 CarbonylContact C-O 3.43Å; W627-I671 WeakPolarHBondContact CA-O 3.4Å |
| 628 | I | 92.1 | Very high | 86 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 103.7 | 174.3 | -60.9 | 170.4 | 0 | 0 | 0 | 108.5 | L592 A631 M634 L655 I670 I671 G672 T673 | L592-I628 HydrophobicContact CB-CG1 4.07Å; I628-A631 HydrophobicContact CG2-CB 4.07Å; I628-M634 HydrophobicContact CG1-CE 4.48Å; I628-M634 HydrophobicContact CG2-CE 3.39Å; I628-M634 HydrophobicContact CG2-SD 3.83Å; I628-L655 HydrophobicContact CD1-CD2 3.46Å; I628-L655 VanDerWaalsContact CD1-CD2 3.46Å; I628-I670 HydrophobicContact CD1-CG2 3.96Å; I628-I671 PolarHBondContact N-O 2.88Å; I628-G672 CarbonylContact O-C 3.57Å; I628-G672 WeakPolarHBondContact O-CA 3.39Å; I628-T673 PolarHBondContact O-N 2.72Å |
| 629 | Q | 90.2 | Very high | 85.2 | Confident | 56 Ų | 56 | 33.5 Ų | 33.5 | 26% | 0.262 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | 144.4 | 173.8 | -159.7 | 175.2 | 9.2 | 0 | 0 | 111.7 | S593 P594 W627 A631 T673 | S593-Q629 WeakPolarHBondContact OG-CA 3.46Å; S593-Q629 WeakPolarHBondContact OG-CB 3.46Å; S593-Q629 PolarHBondContact OG-N 3.1Å; P594-Q629 WeakPolarHBondContact CD-O 3.21Å; W627-Q629 HydrophobicContact CH2-CB 4.16Å; W627-Q629 HydrophobicContact CH2-CG 4.23Å; W627-Q629 VanDerWaalsContact CH2-OE1 3.3Å; W627-Q629 HydrophobicContact CZ2-CB 3.69Å; W627-Q629 HydrophobicContact CZ2-CG 3.69Å; Q629-A631 VanDerWaalsContact C-N 3.34Å; Q629-A631 PolarHBondContact O-N 3.2Å; Q629-T673 WeakPolarHBondContact CA-OG1 3.37Å |
| 630 | D | 87.6 | Confident | 84.5 | Confident | 8 Ų | 8 | 32 Ų | 32 | 4% | 0.043 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 50.7 | -178.2 | -64.1 | -14.2 | 0 | 0 | 0 | 112.3 | E632 K633 T673 K675 | D630-E632 VanDerWaalsContact CA-OE2 3.31Å; D630-E632 WeakPolarHBondContact CA-OE2 3.3Å; D630-E632 PolarHBondContact O-N 3.44Å; D630-K633 HydrophobicContact CB-CD 3.79Å; D630-K633 HydrophobicContact CB-CG 4.17Å; D630-K633 WeakPolarHBondContact O-CB 3.42Å; D630-K633 PolarHBondContact O-N 2.99Å; D630-K633 IonicContact OD2-NZ 2.55Å; D630-K633 PolarHBondContact OD2-NZ 3.15Å; D630-T673 WeakPolarHBondContact CA-O 3.4Å; D630-T673 PolarHBondContact N-O 3.45Å; D630-K675 VanDerWaalsContact OD1-CE 3.3Å; D630-K675 WeakPolarHBondContact OD1-CE 3.49Å; D630-K675 IonicContact OD1-NZ 3.63Å; D630-K675 PolarHBondContact OD1-NZ 3.38Å; D630-K675 IonicContact OD2-NZ 3.75Å; D630-K675 PolarHBondContact OD2-NZ 2.88Å |
| 631 | A | 85.6 | Confident | 83.6 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -56.2 | -23.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L565 I628 Q629 K633 M634 F635 T673 Y689 | L565-A631 HydrophobicContact CD1-CB 4.15Å; I628-A631 HydrophobicContact CG2-CB 4.07Å; Q629-A631 VanDerWaalsContact C-N 3.34Å; Q629-A631 PolarHBondContact O-N 3.2Å; A631-K633 PolarHBondContact O-N 3.03Å; A631-M634 PolarHBondContact O-N 3.29Å; A631-F635 VanDerWaalsContact O-CD2 3.3Å; A631-F635 WeakPolarHBondContact O-CD2 3.45Å; A631-F635 PolarHBondContact O-N 3.33Å; A631-T673 PolarHBondContact N-O 3Å; A631-Y689 HydrophobicContact CB-CE2 4.3Å; A631-Y689 WeakPolarHBondContact CB-OH 3.35Å |
| 632 | E | 84.1 | Confident | 82.6 | Confident | 10 Ų | 10 | 43.3 Ų | 43.3 | 5% | 0.047 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -55.9 | -30 | 172.8 | 61.6 | -90.4 | -134.2 | 0 | 0 | 113.1 | D630 F635 Y636 T674 K675 G676 | D630-E632 VanDerWaalsContact CA-OE2 3.31Å; D630-E632 WeakPolarHBondContact CA-OE2 3.3Å; D630-E632 PolarHBondContact O-N 3.44Å; E632-F635 CarbonylContact O-C 3.57Å; E632-F635 VanDerWaalsContact O-C 3.29Å; E632-F635 WeakPolarHBondContact O-CA 3.47Å; E632-F635 PolarHBondContact O-N 3.16Å; E632-Y636 PolarHBondContact O-N 3.38Å; E632-Y636 VanDerWaalsContact O-N 3.07Å; E632-T674 WeakPolarHBondContact OE2-CA 3.32Å; E632-T674 WeakPolarHBondContact OE2-CB 3.4Å; E632-T674 PolarHBondContact OE2-OG1 3.34Å; E632-K675 PolarHBondContact OE1-N 3.28Å; E632-G676 PolarHBondContact OE1-N 3.33Å |
| 633 | K | 83.1 | Confident | 81.7 | Confident | 15 Ų | 15 | 43.7 Ų | 43.7 | 7% | 0.065 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.8 | -42 | -178.3 | -68.8 | 179.4 | 170.2 | 156.8 | 0 | 111.8 | P594 Y595 D630 A631 F635 Y636 E643 P648 | P594-K633 HydrophobicContact CB-CB 4.47Å; P594-K633 HydrophobicContact CG-CB 3.98Å; Y595-K633 HydrophobicContact CE2-CD 4.34Å; Y595-K633 VanDerWaalsContact CZ-NZ 3.3Å; Y595-K633 PolarHBondContact OH-NZ 3.48Å; D630-K633 HydrophobicContact CB-CD 3.79Å; D630-K633 HydrophobicContact CB-CG 4.17Å; D630-K633 WeakPolarHBondContact O-CB 3.42Å; D630-K633 PolarHBondContact O-N 2.99Å; D630-K633 IonicContact OD2-NZ 2.55Å; D630-K633 PolarHBondContact OD2-NZ 3.15Å; A631-K633 PolarHBondContact O-N 3.03Å; K633-F635 PolarHBondContact O-N 3.12Å; K633-Y636 VanDerWaalsContact CA-CE2 3.43Å; K633-Y636 HydrophobicContact CB-CD2 4.3Å; K633-Y636 HydrophobicContact CB-CE2 3.77Å; K633-Y636 HydrophobicContact CG-CE2 3.6Å; K633-Y636 WeakPolarHBondContact CG-OH 3.46Å; K633-Y636 WeakPolarHBondContact O-CD2 3.38Å; K633-Y636 PolarHBondContact O-N 3.1Å; K633-E643 WeakPolarHBondContact CE-OE1 3.38Å; K633-E643 IonicContact NZ-OE1 3.28Å; K633-P648 HydrophobicContact CB-CB 4.12Å |
| 634 | M | 81.2 | Confident | 80.4 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62 | -33.5 | 171.2 | -57.4 | -172.8 | -179.2 | 0 | 0 | 111.9 | L592 P594 I628 A631 P648 L651 | L592-M634 WeakPolarHBondContact O-CE 3.44Å; P594-M634 HydrophobicContact CG-CE 3.87Å; P594-M634 HydrophobicContact CG-CG 3.99Å; I628-M634 HydrophobicContact CG1-CE 4.48Å; I628-M634 HydrophobicContact CG2-CE 3.39Å; I628-M634 HydrophobicContact CG2-SD 3.83Å; A631-M634 PolarHBondContact O-N 3.29Å; M634-P648 VanDerWaalsContact CA-O 3.31Å; M634-P648 WeakPolarHBondContact CA-O 3.49Å; M634-L651 HydrophobicContact CE-CB 4.45Å; M634-L651 HydrophobicContact CE-CD1 3.52Å; M634-L651 HydrophobicContact SD-CB 4.11Å; M634-L651 HydrophobicContact SD-CD1 4.27Å |
| 635 | F | 81.7 | Confident | 78.9 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.009 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -17.4 | 176.8 | 24.3 | -134.6 | 0 | 0 | 0 | 118.6 | A631 E632 K633 K637 K652 S680 D681 M685 M688 Y689 | A631-F635 VanDerWaalsContact O-CD2 3.3Å; A631-F635 WeakPolarHBondContact O-CD2 3.45Å; A631-F635 PolarHBondContact O-N 3.33Å; E632-F635 CarbonylContact O-C 3.57Å; E632-F635 VanDerWaalsContact O-C 3.29Å; E632-F635 WeakPolarHBondContact O-CA 3.47Å; E632-F635 PolarHBondContact O-N 3.16Å; K633-F635 PolarHBondContact O-N 3.12Å; F635-K637 PolarHBondContact O-N 3.35Å; F635-K652 HydrophobicContact CD1-CD 3.98Å; F635-K652 HydrophobicContact CD1-CG 3.8Å; F635-K652 HydrophobicContact CE1-CG 4.04Å; F635-S680 CarbonylContact O-C 3.19Å; F635-S680 WeakPolarHBondContact O-CA 3.34Å; F635-D681 PolarHBondContact O-N 3.03Å; F635-M685 HydrophobicContact CB-CG 3.93Å; F635-M685 HydrophobicContact CD2-CG 3.53Å; F635-M685 HydrophobicContact CD2-SD 3.67Å; F635-M685 HydrophobicContact CE2-CG 4.22Å; F635-M685 HydrophobicContact CE2-SD 4.31Å; F635-M685 HydrophobicContact CG-CG 3.78Å; F635-M685 HydrophobicContact CG-SD 4.43Å; F635-M688 HydrophobicContact CE1-CB 4.46Å; F635-M688 HydrophobicContact CZ-CB 3.92Å; F635-M688 HydrophobicContact CZ-CG 4.02Å; F635-Y689 HydrophobicContact CE2-CE2 4.07Å |
| 636 | Y | 81.2 | Confident | 77.3 | Confident | 20 Ų | 20 | 60.1 Ų | 60.1 | 8% | 0.078 | 29% | 0.286 | C | S | . | . | B | Isolated β-bridge | trans | -54.2 | 138.3 | -157.6 | -82 | -46.2 | 0 | 0 | 0 | 115.5 | E632 K633 E643 P648 R649 N679 | E632-Y636 PolarHBondContact O-N 3.38Å; E632-Y636 VanDerWaalsContact O-N 3.07Å; K633-Y636 VanDerWaalsContact CA-CE2 3.43Å; K633-Y636 HydrophobicContact CB-CD2 4.3Å; K633-Y636 HydrophobicContact CB-CE2 3.77Å; K633-Y636 HydrophobicContact CG-CE2 3.6Å; K633-Y636 WeakPolarHBondContact CG-OH 3.46Å; K633-Y636 WeakPolarHBondContact O-CD2 3.38Å; K633-Y636 PolarHBondContact O-N 3.1Å; Y636-E643 WeakPolarHBondContact CE2-OE2 3.34Å; Y636-E643 PolarHBondContact OH-OE2 3.1Å; Y636-P648 HydrophobicContact CD2-CG 4.39Å; Y636-R649 PolarHBondContact O-NE 3.14Å; Y636-R649 PolarHBondContact O-NH2 3.43Å; Y636-N679 HydrophobicContact CD1-CB 4.04Å; Y636-N679 HydrophobicContact CE1-CB 3.81Å |
| 637 | K | 75.1 | Confident | 75.9 | Confident | 128 Ų | 128 | 66.1 Ų | 66.1 | 56% | 0.557 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -71.2 | -42.7 | 170.2 | -70.2 | 172.4 | 179.3 | 148.1 | 0 | 112.3 | F635 R649 Q678 N679 S680 D681 | F635-K637 PolarHBondContact O-N 3.35Å; K637-R649 PolarHBondContact O-NH2 3.25Å; K637-Q678 PolarHBondContact NZ-O 3.31Å; K637-N679 PolarHBondContact N-O 2.66Å; K637-N679 VanDerWaalsContact N-O 3.13Å; K637-S680 WeakPolarHBondContact CE-O 3.47Å; K637-D681 HydrophobicContact CG-CB 4.48Å |
| 638 | K | 71.6 | Confident | 74.3 | Confident | 180 Ų | 180 | 65.8 Ų | 65.8 | 78% | 0.783 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -135.2 | 133 | 169.3 | -67.3 | -177.5 | 179.6 | -179.1 | 0 | 107.1 | ||
| 639 | V | 72.1 | Confident | 73.2 | Confident | 41 Ų | 41 | 70.9 Ų | 70.9 | 25% | 0.248 | 33% | 0.332 | C | S | . | . | trans | -80.3 | 125.5 | 179.5 | -176.4 | 0 | 0 | 0 | 0 | 107.3 | E644 P648 R649 | V639-E644 HydrophobicContact CG1-CB 4.48Å; V639-P648 HydrophobicContact CG1-CG 4.04Å; V639-R649 HydrophobicContact CG2-CG 4.19Å | ||
| 640 | P | 74.4 | Confident | 72.2 | Confident | 54 Ų | 54 | 70.6 Ų | 70.6 | 35% | 0.351 | 33% | 0.329 | S | S | . | . | trans | -59.5 | 142.2 | 171.2 | -21.8 | 33.7 | 0 | 0 | 0 | 110.8 | D642 E643 E644 | P640-D642 PolarHBondContact O-N 3.38Å; P640-E643 PolarHBondContact O-N 2.98Å; P640-E644 PolarHBondContact O-N 2.89Å | ||
| 641 | K | 64.9 | Low | 71.5 | Confident | 184 Ų | 184 | 70.3 Ų | 70.3 | 80% | 0.8 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -58.4 | -33.5 | -178 | -69.9 | -176.2 | 177.5 | -178 | 0 | 112.5 | E643 E644 | K641-E643 VanDerWaalsContact C-N 3.27Å; K641-E643 PolarHBondContact O-N 3.37Å; K641-E644 PolarHBondContact O-N 2.83Å |
| 642 | D | 63.8 | Low | 71.1 | Confident | 154 Ų | 154 | 73 Ų | 73 | 82% | 0.824 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -70.2 | -22 | 179.9 | -50.7 | -38 | 0 | 0 | 0 | 113.1 | P640 | P640-D642 PolarHBondContact O-N 3.38Š|
| 643 | E | 64.9 | Low | 70.8 | Confident | 38 Ų | 38 | 80.6 Ų | 80.6 | 18% | 0.178 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -107.6 | 6.3 | -178.3 | -62.5 | -167.6 | 176 | 0 | 0 | 112.8 | K633 Y636 P640 K641 Q645 L646 | K633-E643 WeakPolarHBondContact CE-OE1 3.38Å; K633-E643 IonicContact NZ-OE1 3.28Å; Y636-E643 WeakPolarHBondContact CE2-OE2 3.34Å; Y636-E643 PolarHBondContact OH-OE2 3.1Å; P640-E643 PolarHBondContact O-N 2.98Å; K641-E643 VanDerWaalsContact C-N 3.27Å; K641-E643 PolarHBondContact O-N 3.37Å; E643-Q645 VanDerWaalsContact C-N 3.32Å; E643-Q645 PolarHBondContact O-N 3.39Å; E643-L646 HydrophobicContact CB-CD1 4.21Å; E643-L646 HydrophobicContact CG-CD1 4.34Å; E643-L646 WeakPolarHBondContact O-CB 3.31Å; E643-L646 PolarHBondContact O-N 3.48Å |
| 644 | E | 62.8 | Low | 70.6 | Confident | 127 Ų | 127 | 81.7 Ų | 81.7 | 59% | 0.593 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -67.8 | -33.1 | -177 | -167.2 | 160.4 | -156.6 | 0 | 0 | 112.1 | V639 P640 K641 L646 E647 | V639-E644 HydrophobicContact CG1-CB 4.48Å; P640-E644 PolarHBondContact O-N 2.89Å; K641-E644 PolarHBondContact O-N 2.83Å; E644-L646 PolarHBondContact O-N 3.42Å; E644-E647 PolarHBondContact O-N 3.2Å |
| 645 | Q | 58.9 | Low | 70.5 | Confident | 186 Ų | 186 | 81.8 Ų | 81.8 | 87% | 0.869 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -62.7 | -21.6 | 174.5 | -65 | -175.6 | -5.7 | 0 | 0 | 113.5 | E643 E647 | E643-Q645 VanDerWaalsContact C-N 3.32Å; E643-Q645 PolarHBondContact O-N 3.39Å; Q645-E647 VanDerWaalsContact C-N 3.28Å; Q645-E647 PolarHBondContact O-N 3.31Å |
| 646 | L | 60.1 | Low | 70.6 | Confident | 43 Ų | 43 | 83 Ų | 83 | 23% | 0.225 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -81.3 | -5.3 | -179.4 | -62.5 | 169.7 | 0 | 0 | 0 | 113 | Y595 A598 E643 E644 P648 | Y595-L646 HydrophobicContact CD1-CD1 4.2Å; Y595-L646 HydrophobicContact CD1-CD2 4.26Å; Y595-L646 HydrophobicContact CE1-CD1 3.76Å; A598-L646 HydrophobicContact CB-CD2 3.78Å; E643-L646 HydrophobicContact CB-CD1 4.21Å; E643-L646 HydrophobicContact CG-CD1 4.34Å; E643-L646 WeakPolarHBondContact O-CB 3.31Å; E643-L646 PolarHBondContact O-N 3.48Å; E644-L646 PolarHBondContact O-N 3.42Å; L646-P648 VanDerWaalsContact C-CD 3.45Å; L646-P648 VanDerWaalsContact C-N 3.3Å |
| 647 | E | 63.6 | Low | 70.7 | Confident | 125 Ų | 125 | 87.9 Ų | 87.9 | 58% | 0.584 | 41% | 0.409 | S | S | * | . | trans | 38.7 | 50.1 | -172.6 | -65.5 | -164.6 | 146.1 | 0 | 0 | 114.2 | E644 Q645 R649 R650 | E644-E647 PolarHBondContact O-N 3.2Å; Q645-E647 VanDerWaalsContact C-N 3.28Å; Q645-E647 PolarHBondContact O-N 3.31Å; E647-R649 PolarHBondContact O-N 2.78Å; E647-R650 HydrophobicContact CB-CB 4.46Å; E647-R650 WeakPolarHBondContact O-CB 3.47Å; E647-R650 PolarHBondContact O-N 3.06Å; E647-R650 IonicContact OE2-NE 2.96Å | ||
| 648 | P | 61.8 | Low | 71 | Confident | 9 Ų | 9 | 82.7 Ų | 82.7 | 6% | 0.058 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -64.8 | -22.9 | -164 | 25.7 | -35.6 | 0 | 0 | 0 | 113.7 | K633 M634 Y636 V639 L646 R650 | K633-P648 HydrophobicContact CB-CB 4.12Å; M634-P648 VanDerWaalsContact CA-O 3.31Å; M634-P648 WeakPolarHBondContact CA-O 3.49Å; Y636-P648 HydrophobicContact CD2-CG 4.39Å; V639-P648 HydrophobicContact CG1-CG 4.04Å; L646-P648 VanDerWaalsContact C-CD 3.45Å; L646-P648 VanDerWaalsContact C-N 3.3Å; P648-R650 VanDerWaalsContact C-N 3.25Å; P648-R650 PolarHBondContact O-N 3.03Å |
| 649 | R | 68.3 | Low | 71.6 | Confident | 107 Ų | 107 | 75 Ų | 75 | 40% | 0.404 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -76.3 | -5 | 178.8 | -70.9 | -179.2 | 170.4 | -180 | 1.7 | 114.6 | Y636 K637 V639 E647 L651 K652 | Y636-R649 PolarHBondContact O-NE 3.14Å; Y636-R649 PolarHBondContact O-NH2 3.43Å; K637-R649 PolarHBondContact O-NH2 3.25Å; V639-R649 HydrophobicContact CG2-CG 4.19Å; E647-R649 PolarHBondContact O-N 2.78Å; R649-L651 VanDerWaalsContact C-N 3.31Å; R649-L651 PolarHBondContact O-N 3.43Å; R649-K652 VanDerWaalsContact O-CB 3.23Å; R649-K652 WeakPolarHBondContact O-CB 3.08Å; R649-K652 PolarHBondContact O-N 2.94Å; R649-K652 VanDerWaalsContact O-N 3.16Å |
| 650 | R | 70.2 | Confident | 72.1 | Confident | 50 Ų | 50 | 80.8 Ų | 80.8 | 19% | 0.189 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -58.5 | -39.2 | -171.2 | -172.1 | 171.6 | -179.5 | -149.6 | -9.2 | 113.6 | K600 Y601 G603 L607 E647 P648 | K600-R650 PolarHBondContact O-NH1 2.92Å; Y601-R650 PolarHBondContact O-NH2 3.34Å; G603-R650 PolarHBondContact O-NH2 3.49Å; L607-R650 HydrophobicContact CD1-CG 3.81Å; L607-R650 HydrophobicContact CD2-CG 3.84Å; L607-R650 WeakPolarHBondContact CD2-O 3.32Å; L607-R650 HydrophobicContact CG-CG 4.37Å; E647-R650 HydrophobicContact CB-CB 4.46Å; E647-R650 WeakPolarHBondContact O-CB 3.47Å; E647-R650 PolarHBondContact O-N 3.06Å; E647-R650 IonicContact OE2-NE 2.96Å; P648-R650 VanDerWaalsContact C-N 3.25Å; P648-R650 PolarHBondContact O-N 3.03Å |
| 651 | L | 72.6 | Confident | 72.6 | Confident | 3 Ų | 3 | 82.4 Ų | 82.4 | 2% | 0.016 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -82.5 | -11.8 | -178.4 | -71.4 | 166 | 0 | 0 | 0 | 114.5 | T597 L607 M610 L611 M634 R649 K653 D654 L655 | T597-L651 HydrophobicContact CG2-CD1 4.1Å; L607-L651 HydrophobicContact CD1-CD2 3.7Å; L607-L651 HydrophobicContact CD1-CG 4.27Å; L607-L651 HydrophobicContact CD2-CD2 4.32Å; L607-L651 HydrophobicContact CG-CD2 4.2Å; M610-L651 HydrophobicContact CE-CD2 4.29Å; L611-L651 HydrophobicContact CD1-CD2 3.88Å; L611-L651 HydrophobicContact CD2-CD2 3.86Å; L611-L651 HydrophobicContact CG-CD2 4.06Å; M634-L651 HydrophobicContact CE-CB 4.45Å; M634-L651 HydrophobicContact CE-CD1 3.52Å; M634-L651 HydrophobicContact SD-CB 4.11Å; M634-L651 HydrophobicContact SD-CD1 4.27Å; R649-L651 VanDerWaalsContact C-N 3.31Å; R649-L651 PolarHBondContact O-N 3.43Å; L651-K653 VanDerWaalsContact C-N 3.25Å; L651-K653 PolarHBondContact O-N 3.22Å; L651-K653 VanDerWaalsContact O-N 3.12Å; L651-D654 PolarHBondContact O-N 3.16Å; L651-L655 VanDerWaalsContact O-CB 3.31Å; L651-L655 WeakPolarHBondContact O-CB 3.44Å; L651-L655 PolarHBondContact O-N 3.25Å; L651-L655 VanDerWaalsContact O-N 3.13Å |
| 652 | K | 75.9 | Confident | 73.5 | Confident | 57 Ų | 57 | 74 Ų | 74 | 25% | 0.248 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -57.8 | -32.6 | -171.7 | 179.3 | 170.2 | 177.9 | 170.3 | 0 | 113.9 | F635 R649 P656 D681 S684 | F635-K652 HydrophobicContact CD1-CD 3.98Å; F635-K652 HydrophobicContact CD1-CG 3.8Å; F635-K652 HydrophobicContact CE1-CG 4.04Å; R649-K652 VanDerWaalsContact O-CB 3.23Å; R649-K652 WeakPolarHBondContact O-CB 3.08Å; R649-K652 PolarHBondContact O-N 2.94Å; R649-K652 VanDerWaalsContact O-N 3.16Å; K652-P656 WeakPolarHBondContact O-CD 3.27Å; K652-P656 WeakPolarHBondContact O-CG 3.43Å; K652-D681 IonicContact NZ-OD2 2.81Å; K652-S684 VanDerWaalsContact CE-OG 3.24Å; K652-S684 WeakPolarHBondContact CE-OG 3.41Å; K652-S684 PolarHBondContact NZ-OG 3.35Å |
| 653 | K | 77.7 | Confident | 74.5 | Confident | 169 Ų | 169 | 72.1 Ų | 72.1 | 74% | 0.735 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -32.6 | -175.3 | -71.2 | -175.2 | 179.3 | 178.7 | 0 | 113.9 | L651 K657 | L651-K653 VanDerWaalsContact C-N 3.25Å; L651-K653 PolarHBondContact O-N 3.22Å; L651-K653 VanDerWaalsContact O-N 3.12Å; K653-K657 WeakPolarHBondContact O-CE 3.31Å |
| 654 | D | 78.9 | Confident | 75.3 | Confident | 38 Ų | 38 | 72.7 Ų | 72.7 | 20% | 0.203 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -33.1 | -170.5 | -64 | -39.3 | 0 | 0 | 0 | 112.5 | L611 L651 K657 C658 | L611-D654 HydrophobicContact CD1-CB 3.72Å; L651-D654 PolarHBondContact O-N 3.16Å; D654-K657 WeakPolarHBondContact O-CA 3.41Å; D654-K657 VanDerWaalsContact O-CB 3.31Å; D654-K657 WeakPolarHBondContact O-CB 3.23Å; D654-K657 PolarHBondContact O-N 2.96Å; D654-K657 IonicContact OD1-NZ 3.75Å; D654-K657 PolarHBondContact OD1-NZ 3.14Å; D654-C658 PolarHBondContact O-N 2.51Å; D654-C658 PolarHBondContact O-SG 3.41Å |
| 655 | L | 80.6 | Confident | 76.3 | Confident | 2 Ų | 2 | 71.7 Ų | 71.7 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60 | -42.5 | 177.7 | -167.4 | 75 | 0 | 0 | 0 | 113.6 | L592 L611 F615 I628 L651 K657 C658 L659 M688 | L592-L655 HydrophobicContact CD1-CD1 4.26Å; L611-L655 HydrophobicContact CD2-CD1 4.2Å; F615-L655 HydrophobicContact CE2-CD1 4.19Å; F615-L655 HydrophobicContact CZ-CD1 4.31Å; I628-L655 HydrophobicContact CD1-CD2 3.46Å; I628-L655 VanDerWaalsContact CD1-CD2 3.46Å; L651-L655 VanDerWaalsContact O-CB 3.31Å; L651-L655 WeakPolarHBondContact O-CB 3.44Å; L651-L655 PolarHBondContact O-N 3.25Å; L651-L655 VanDerWaalsContact O-N 3.13Å; L655-K657 PolarHBondContact O-N 2.81Å; L655-C658 WeakPolarHBondContact O-CB 3.34Å; L655-C658 PolarHBondContact O-N 3.17Å; L655-L659 PolarHBondContact O-N 2.9Å; L655-M688 HydrophobicContact CB-SD 4.48Å; L655-M688 HydrophobicContact CD2-CE 3.42Å; L655-M688 VanDerWaalsContact CD2-CE 3.42Å; L655-M688 HydrophobicContact CD2-SD 3.9Å; L655-M688 HydrophobicContact CG-CE 3.56Å; L655-M688 HydrophobicContact CG-SD 4.01Å |
| 656 | P | 83.2 | Confident | 77.7 | Confident | 27 Ų | 27 | 63.4 Ų | 63.4 | 18% | 0.175 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.1 | -20.1 | 174.1 | -21.2 | 34.4 | 0 | 0 | 0 | 114 | K652 M688 | K652-P656 WeakPolarHBondContact O-CD 3.27Å; K652-P656 WeakPolarHBondContact O-CG 3.43Å; P656-M688 HydrophobicContact CB-SD 4.4Å; P656-M688 HydrophobicContact CG-SD 4.04Å |
| 657 | K | 83.5 | Confident | 79 | Confident | 123 Ų | 123 | 62.5 Ų | 62.5 | 54% | 0.535 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -74.4 | -46.2 | 172 | -60 | 173.9 | -169.6 | 158.7 | 0 | 109.2 | K653 D654 L655 L659 K660 L661 | K653-K657 WeakPolarHBondContact O-CE 3.31Å; D654-K657 WeakPolarHBondContact O-CA 3.41Å; D654-K657 VanDerWaalsContact O-CB 3.31Å; D654-K657 WeakPolarHBondContact O-CB 3.23Å; D654-K657 PolarHBondContact O-N 2.96Å; D654-K657 IonicContact OD1-NZ 3.75Å; D654-K657 PolarHBondContact OD1-NZ 3.14Å; L655-K657 PolarHBondContact O-N 2.81Å; K657-L659 VanDerWaalsContact C-N 3.3Å; K657-L659 PolarHBondContact O-N 3.48Å; K657-K660 WeakPolarHBondContact O-CB 3.4Å; K657-K660 PolarHBondContact O-N 2.9Å; K657-K660 VanDerWaalsContact O-N 3.11Å; K657-L661 WeakPolarHBondContact O-CG 3.43Å |
| 658 | C | 81.8 | Confident | 80.3 | Confident | 20 Ų | 20 | 56.8 Ų | 56.8 | 14% | 0.135 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.4 | -40.2 | 175.3 | -60.2 | 0 | 0 | 0 | 0 | 112.1 | F615 D654 L655 K660 L661 I662 | F615-C658 HydrophobicContact CD2-CB 3.91Å; F615-C658 HydrophobicContact CE1-CB 4.15Å; F615-C658 HydrophobicContact CE2-CB 3.47Å; F615-C658 VanDerWaalsContact CE2-CB 3.47Å; F615-C658 HydrophobicContact CG-CB 4.43Å; F615-C658 HydrophobicContact CZ-CB 3.61Å; D654-C658 PolarHBondContact O-N 2.51Å; D654-C658 PolarHBondContact O-SG 3.41Å; L655-C658 WeakPolarHBondContact O-CB 3.34Å; L655-C658 PolarHBondContact O-N 3.17Å; C658-K660 PolarHBondContact O-N 3.49Å; C658-L661 WeakPolarHBondContact O-CB 3.38Å; C658-L661 PolarHBondContact O-N 3.25Å; C658-I662 PolarHBondContact O-N 2.81Å |
| 659 | L | 83.8 | Confident | 81.8 | Confident | 19 Ų | 19 | 56.5 Ų | 56.5 | 10% | 0.099 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.5 | -33.9 | 176 | -171.5 | 76.1 | 0 | 0 | 0 | 113.3 | K562 L655 K657 L661 I662 I670 M688 | K562-L659 HydrophobicContact CB-CD1 3.64Å; K562-L659 HydrophobicContact CB-CG 4.33Å; K562-L659 HydrophobicContact CD-CG 4.42Å; L655-L659 PolarHBondContact O-N 2.9Å; K657-L659 VanDerWaalsContact C-N 3.3Å; K657-L659 PolarHBondContact O-N 3.48Å; L659-L661 VanDerWaalsContact C-N 3.28Å; L659-I662 HydrophobicContact CD1-CD1 4.21Å; L659-I670 HydrophobicContact CD1-CD1 3.78Å; L659-I670 HydrophobicContact CD1-CG1 4.43Å; L659-M688 HydrophobicContact CD1-CE 4.27Å; L659-M688 HydrophobicContact CD2-CE 4.44Å; L659-M688 VanDerWaalsContact CD2-O 3.27Å; L659-M688 WeakPolarHBondContact CD2-O 3.24Å; L659-M688 HydrophobicContact CD2-SD 4.28Å |
| 660 | K | 82.8 | Confident | 83 | Confident | 162 Ų | 162 | 51.4 Ų | 51.4 | 70% | 0.704 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -75 | -19.3 | 177.5 | -68.7 | -178.9 | 177.6 | -167.2 | 0 | 113.2 | K657 C658 | K657-K660 WeakPolarHBondContact O-CB 3.4Å; K657-K660 PolarHBondContact O-N 2.9Å; K657-K660 VanDerWaalsContact O-N 3.11Å; C658-K660 PolarHBondContact O-N 3.49Å |
| 661 | L | 83.5 | Confident | 84.2 | Confident | 87 Ų | 87 | 49.1 Ų | 49.1 | 46% | 0.455 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -83.8 | -19.9 | -178.9 | -57.8 | 163.3 | 0 | 0 | 0 | 111.7 | E479 K657 C658 L659 K663 | E479-L661 WeakPolarHBondContact OE1-CD1 3.31Å; E479-L661 WeakPolarHBondContact OE1-CD2 3.39Å; K657-L661 WeakPolarHBondContact O-CG 3.43Å; C658-L661 WeakPolarHBondContact O-CB 3.38Å; C658-L661 PolarHBondContact O-N 3.25Å; L659-L661 VanDerWaalsContact C-N 3.28Å; L661-K663 PolarHBondContact O-N 2.96Å |
| 662 | I | 84.6 | Confident | 85.2 | Confident | 8 Ų | 8 | 49 Ų | 49 | 4% | 0.041 | 23% | 0.232 | C | C | . | . | trans | -66.2 | 119.5 | 173.4 | -52.3 | 176.6 | 0 | 0 | 0 | 108.9 | K562 F615 C658 L659 D666 I670 | K562-I662 PolarHBondContact NZ-O 3.45Å; F615-I662 HydrophobicContact CE1-CD1 3.96Å; F615-I662 HydrophobicContact CE1-CG1 4.17Å; C658-I662 PolarHBondContact O-N 2.81Å; L659-I662 HydrophobicContact CD1-CD1 4.21Å; I662-D666 HydrophobicContact CG2-CB 4Å; I662-I670 HydrophobicContact CD1-CD1 4.35Å | ||
| 663 | K | 84.8 | Confident | 86 | Confident | 114 Ų | 114 | 46.5 Ų | 46.5 | 50% | 0.496 | 22% | 0.221 | S | C | . | . | trans | -92.3 | 165.9 | 176.8 | -55 | -177.8 | -179.9 | 175.9 | 0 | 111.6 | L661 E665 D666 | L661-K663 PolarHBondContact O-N 2.96Å; K663-E665 WeakPolarHBondContact CB-OE2 3.08Å; K663-E665 VanDerWaalsContact CD-OE2 3.32Å; K663-E665 WeakPolarHBondContact CD-OE2 3.34Å; K663-E665 PolarHBondContact O-N 3.36Å; K663-D666 PolarHBondContact N-OD2 3.02Å; K663-D666 VanDerWaalsContact N-OD2 3.09Å; K663-D666 PolarHBondContact O-N 3.09Å; K663-D666 VanDerWaalsContact O-N 3.09Å | ||
| 664 | P | 81.7 | Confident | 86.7 | Confident | 51 Ų | 51 | 38.4 Ų | 38.4 | 33% | 0.331 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -26.5 | 175 | -21 | 33 | 0 | 0 | 0 | 113.5 | H555 L560 D666 | H555-P664 PolarHBondContact CD2-O 2.77Å; H555-P664 PolarHBondContact NE2-O 2.96Å; L560-P664 HydrophobicContact CD2-CB 4.19Å; L560-P664 HydrophobicContact CD2-CG 4.04Å; P664-D666 VanDerWaalsContact C-N 3.31Å; P664-D666 PolarHBondContact O-N 3.37Å |
| 665 | E | 84.5 | Confident | 87 | Confident | 105 Ų | 105 | 41.2 Ų | 41.2 | 49% | 0.491 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -15.9 | 179.2 | -46.6 | 81.8 | -165.5 | 0 | 0 | 112.7 | K663 | K663-E665 WeakPolarHBondContact CB-OE2 3.08Å; K663-E665 VanDerWaalsContact CD-OE2 3.32Å; K663-E665 WeakPolarHBondContact CD-OE2 3.34Å; K663-E665 PolarHBondContact O-N 3.36Å |
| 666 | D | 87.3 | Confident | 87.1 | Confident | 12 Ų | 12 | 42.1 Ų | 42.1 | 6% | 0.064 | 21% | 0.206 | C | C | . | . | trans | -88.7 | 112.2 | -179.1 | -61.2 | -54.2 | 0 | 0 | 0 | 110.7 | H555 R619 I662 K663 P664 V668 | H555-D666 PolarHBondContact NE2-O 3.46Å; R619-D666 IonicContact CZ-OD1 3.89Å; R619-D666 VanDerWaalsContact CZ-OD1 3.28Å; R619-D666 IonicContact CZ-OD2 2.78Å; R619-D666 VanDerWaalsContact CZ-OD2 3.23Å; R619-D666 IonicContact NE-OD1 2.78Å; R619-D666 PolarHBondContact NE-OD1 3.5Å; R619-D666 IonicContact NE-OD2 3.08Å; R619-D666 PolarHBondContact NE-OD2 3.26Å; R619-D666 IonicContact NH2-OD1 3.03Å; R619-D666 PolarHBondContact NH2-OD1 3.45Å; R619-D666 IonicContact NH2-OD2 2.85Å; R619-D666 PolarHBondContact NH2-OD2 3.17Å; I662-D666 HydrophobicContact CG2-CB 4Å; K663-D666 PolarHBondContact N-OD2 3.02Å; K663-D666 VanDerWaalsContact N-OD2 3.09Å; K663-D666 PolarHBondContact O-N 3.09Å; K663-D666 VanDerWaalsContact O-N 3.09Å; P664-D666 VanDerWaalsContact C-N 3.31Å; P664-D666 PolarHBondContact O-N 3.37Å; D666-V668 PolarHBondContact O-N 3.12Å | ||
| 667 | R | 88.8 | Confident | 87.2 | Confident | 25 Ų | 25 | 40.9 Ų | 40.9 | 9% | 0.094 | 20% | 0.198 | C | C | . | . | trans | -80.4 | 64.3 | 176 | -64.6 | -174 | -66.9 | 159.1 | -2.4 | 112.7 | L549 H555 Q622 P623 S624 | L549-R667 HydrophobicContact CD2-CB 4.36Å; L549-R667 PolarHBondContact O-NH1 2.85Å; L549-R667 VanDerWaalsContact O-NH1 3.1Å; H555-R667 HydrophobicContact CB-CG 4.39Å; Q622-R667 HydrophobicContact CB-CB 4.35Å; Q622-R667 HydrophobicContact CG-CB 4.49Å; P623-R667 HydrophobicContact CB-CB 4.37Å; S624-R667 PolarHBondContact N-O 3.11Å; S624-R667 VanDerWaalsContact N-O 3.07Å | ||
| 668 | V | 91.3 | Very high | 87.2 | Confident | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.024 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 121.5 | 178.5 | -176.7 | 0 | 0 | 0 | 0 | 110 | A618 R619 Q622 S624 I626 D666 | A618-V668 HydrophobicContact CB-CG1 4.34Å; A618-V668 HydrophobicContact CB-CG2 4.28Å; R619-V668 HydrophobicContact CG-CG2 4.39Å; Q622-V668 HydrophobicContact CG-CG2 4.42Å; S624-V668 WeakPolarHBondContact O-CA 3.49Å; I626-V668 HydrophobicContact CD1-CG1 3.83Å; I626-V668 HydrophobicContact CG1-CG1 4.16Å; D666-V668 PolarHBondContact O-N 3.12Å |
| 669 | L | 92.4 | Very high | 87.2 | Confident | 4 Ų | 4 | 41.5 Ų | 41.5 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 129.1 | -179.8 | -178.9 | 63.3 | 0 | 0 | 0 | 111.2 | L549 I564 S624 V625 I626 I671 | L549-L669 HydrophobicContact CD1-CB 4.04Å; L549-L669 HydrophobicContact CD1-CD2 3.83Å; L549-L669 HydrophobicContact CD2-CB 4.06Å; L549-L669 HydrophobicContact CG-CB 4.38Å; L549-L669 HydrophobicContact CG-CD2 4.44Å; I564-L669 HydrophobicContact CD1-CD1 4.09Å; I564-L669 HydrophobicContact CD1-CD2 4.09Å; I564-L669 HydrophobicContact CG1-CD1 4.14Å; S624-L669 PolarHBondContact O-N 3.31Å; V625-L669 CarbonylContact C-O 3.51Å; V625-L669 WeakPolarHBondContact CA-O 3.39Å; I626-L669 PolarHBondContact N-O 3.04Å; L669-I671 HydrophobicContact CD2-CD1 3.88Å; L669-I671 HydrophobicContact CD2-CG1 3.98Å; L669-I671 HydrophobicContact CG-CD1 4.35Å; L669-I671 HydrophobicContact CG-CG1 3.91Å |
| 670 | I | 93.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 119.8 | 174.6 | -52.5 | -172.7 | 0 | 0 | 0 | 109.7 | K562 S563 I564 F615 I626 I628 L659 I662 M688 | K562-I670 PolarHBondContact O-N 2.87Å; K562-I670 VanDerWaalsContact O-N 3.09Å; S563-I670 CarbonylContact C-O 3.58Å; S563-I670 WeakPolarHBondContact CA-O 3.31Å; I564-I670 PolarHBondContact N-O 3.37Å; F615-I670 HydrophobicContact CE1-CD1 4.29Å; F615-I670 HydrophobicContact CZ-CD1 3.9Å; I626-I670 HydrophobicContact CB-CG1 4.25Å; I626-I670 HydrophobicContact CD1-CG1 4.37Å; I626-I670 CarbonylContact O-C 3.54Å; I626-I670 WeakPolarHBondContact O-CA 3.45Å; I628-I670 HydrophobicContact CD1-CG2 3.96Å; L659-I670 HydrophobicContact CD1-CD1 3.78Å; L659-I670 HydrophobicContact CD1-CG1 4.43Å; I662-I670 HydrophobicContact CD1-CD1 4.35Å; I670-M688 HydrophobicContact CD1-CE 3.77Å; I670-M688 HydrophobicContact CG2-CE 4.02Å |
| 671 | I | 94.9 | Very high | 87.1 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 115.9 | 178.4 | -50.6 | 179.9 | 0 | 0 | 0 | 110.4 | I564 L566 V578 I581 V625 I626 W627 I628 L669 | I564-I671 CarbonylContact O-C 3.51Å; I564-I671 WeakPolarHBondContact O-CA 3.08Å; L566-I671 HydrophobicContact CD1-CG2 4.23Å; L566-I671 HydrophobicContact CG-CG2 4.13Å; V578-I671 HydrophobicContact CG1-CD1 4.44Å; V578-I671 HydrophobicContact CG2-CB 4.43Å; V578-I671 HydrophobicContact CG2-CG2 3.76Å; I581-I671 HydrophobicContact CD1-CD1 3.8Å; I581-I671 HydrophobicContact CG2-CD1 4.42Å; V625-I671 HydrophobicContact CG1-CD1 3.71Å; V625-I671 HydrophobicContact CG1-CG1 3.99Å; I626-I671 PolarHBondContact O-N 3.14Å; W627-I671 CarbonylContact C-O 3.43Å; W627-I671 WeakPolarHBondContact CA-O 3.4Å; I628-I671 PolarHBondContact N-O 2.88Å; L669-I671 HydrophobicContact CD2-CD1 3.88Å; L669-I671 HydrophobicContact CD2-CG1 3.98Å; L669-I671 HydrophobicContact CG-CD1 4.35Å; L669-I671 HydrophobicContact CG-CG1 3.91Å |
| 672 | G | 93.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 143.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | I564 L565 L566 I628 Y689 | I564-G672 PolarHBondContact O-N 3.43Å; L565-G672 CarbonylContact C-O 3.59Å; L565-G672 WeakPolarHBondContact CA-O 3.42Å; L566-G672 PolarHBondContact N-O 2.74Å; I628-G672 CarbonylContact O-C 3.57Å; I628-G672 WeakPolarHBondContact O-CA 3.39Å; G672-Y689 WeakPolarHBondContact CA-OH 3.16Å |
| 673 | T | 93.6 | Very high | 87 | Confident | 5 Ų | 5 | 40.9 Ų | 40.9 | 3% | 0.031 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 138.1 | 169.1 | 60.1 | 0 | 0 | 0 | 0 | 109.8 | L566 K574 V578 I628 Q629 D630 A631 | L566-T673 HydrophobicContact CB-CG2 4.27Å; L566-T673 HydrophobicContact CD1-CG2 4.24Å; L566-T673 WeakPolarHBondContact O-CA 3.26Å; K574-T673 HydrophobicContact CB-CG2 4.07Å; V578-T673 HydrophobicContact CG2-CG2 3.92Å; I628-T673 PolarHBondContact O-N 2.72Å; Q629-T673 WeakPolarHBondContact CA-OG1 3.37Å; D630-T673 WeakPolarHBondContact CA-O 3.4Å; D630-T673 PolarHBondContact N-O 3.45Å; A631-T673 PolarHBondContact N-O 3Å |
| 674 | T | 90.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 141.3 | -179 | -176.7 | 0 | 0 | 0 | 0 | 112.7 | L565 L566 V567 G568 K574 E632 P677 | L565-T674 HydrophobicContact CD1-CG2 4.03Å; L565-T674 HydrophobicContact CD2-CG2 4.4Å; L565-T674 HydrophobicContact CG-CG2 4.24Å; L566-T674 PolarHBondContact O-N 3.04Å; V567-T674 HydrophobicContact CB-CG2 3.89Å; V567-T674 HydrophobicContact CG1-CG2 3.78Å; V567-T674 HydrophobicContact CG2-CG2 3.64Å; G568-T674 PolarHBondContact N-O 3.44Å; K574-T674 PolarHBondContact NZ-O 3.23Å; E632-T674 WeakPolarHBondContact OE2-CA 3.32Å; E632-T674 WeakPolarHBondContact OE2-CB 3.4Å; E632-T674 PolarHBondContact OE2-OG1 3.34Å; T674-P677 HydrophobicContact CG2-CB 4.24Å |
| 675 | K | 86.6 | Confident | 86.9 | Confident | 97 Ų | 97 | 34.4 Ų | 34.4 | 42% | 0.422 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -97.7 | -39.7 | 177.1 | -63.1 | 167 | -175.4 | 140.2 | 0 | 111.8 | G568 A570 D630 E632 | G568-K675 WeakPolarHBondContact O-CA 3.39Å; A570-K675 HydrophobicContact CB-CD 4.41Å; A570-K675 HydrophobicContact CB-CG 4.48Å; D630-K675 VanDerWaalsContact OD1-CE 3.3Å; D630-K675 WeakPolarHBondContact OD1-CE 3.49Å; D630-K675 IonicContact OD1-NZ 3.63Å; D630-K675 PolarHBondContact OD1-NZ 3.38Å; D630-K675 IonicContact OD2-NZ 3.75Å; D630-K675 PolarHBondContact OD2-NZ 2.88Å; E632-K675 PolarHBondContact OE1-N 3.28Å |
| 676 | G | 82.6 | Confident | 86.8 | Confident | 20 Ų | 20 | 30.8 Ų | 30.8 | 21% | 0.206 | 16% | 0.157 | C | C | . | . | trans | -133.6 | 78.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E632 Q678 N679 | E632-G676 PolarHBondContact OE1-N 3.33Å; G676-Q678 PolarHBondContact O-N 3.45Å; G676-Q678 VanDerWaalsContact O-N 3.09Å; G676-N679 PolarHBondContact O-N 3.39Å | ||
| 677 | P | 83.6 | Confident | 86.7 | Confident | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.013 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -67.7 | -15.7 | -173.3 | 33.2 | -41.6 | 0 | 0 | 0 | 113.3 | V567 T674 N679 S680 M685 L783 W786 | V567-P677 HydrophobicContact CG1-CB 4.13Å; V567-P677 HydrophobicContact CG1-CG 3.62Å; T674-P677 HydrophobicContact CG2-CB 4.24Å; P677-N679 PolarHBondContact O-N 2.92Å; P677-S680 PolarHBondContact O-N 2.73Å; P677-S680 PolarHBondContact O-OG 2.83Å; P677-M685 HydrophobicContact CB-CE 4.15Å; P677-L783 HydrophobicContact CG-CD1 3.56Å; P677-W786 HydrophobicContact CB-CD2 3.77Å; P677-W786 VanDerWaalsContact CB-CE2 3.46Å; P677-W786 HydrophobicContact CB-CE3 4.07Å; P677-W786 HydrophobicContact CB-CG 4.4Å; P677-W786 HydrophobicContact CB-CH2 3.88Å; P677-W786 HydrophobicContact CB-CZ2 3.54Å; P677-W786 HydrophobicContact CB-CZ3 4.12Å; P677-W786 HydrophobicContact CG-CD2 3.71Å; P677-W786 HydrophobicContact CG-CE3 3.82Å; P677-W786 HydrophobicContact CG-CG 4.13Å; P677-W786 HydrophobicContact CG-CH2 4.47Å; P677-W786 HydrophobicContact CG-CZ2 4.36Å; P677-W786 HydrophobicContact CG-CZ3 4.21Å; P677-W786 PolarHBondContact O-NE1 3.34Å |
| 678 | Q | 83.8 | Confident | 86.4 | Confident | 63 Ų | 63 | 36.5 Ų | 36.5 | 29% | 0.294 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -55.8 | -36.6 | 176.5 | -54.6 | -69.8 | 2.9 | 0 | 0 | 113.5 | K637 G676 S680 A782 | K637-Q678 PolarHBondContact NZ-O 3.31Å; G676-Q678 PolarHBondContact O-N 3.45Å; G676-Q678 VanDerWaalsContact O-N 3.09Å; Q678-S680 PolarHBondContact O-N 3.37Å; Q678-A782 VanDerWaalsContact NE2-CB 3.29Å; Q678-A782 PolarHBondContact NE2-O 2.72Å |
| 679 | N | 81.6 | Confident | 86.3 | Confident | 93 Ų | 93 | 36.4 Ų | 36.4 | 50% | 0.497 | 18% | 0.181 | S | C | . | . | G | 310 helix | trans | -75.1 | -16 | -173.7 | -61.9 | -20.2 | 0 | 0 | 0 | 112.1 | Y636 K637 G676 P677 | Y636-N679 HydrophobicContact CD1-CB 4.04Å; Y636-N679 HydrophobicContact CE1-CB 3.81Å; K637-N679 PolarHBondContact N-O 2.66Å; K637-N679 VanDerWaalsContact N-O 3.13Å; G676-N679 PolarHBondContact O-N 3.39Å; P677-N679 PolarHBondContact O-N 2.92Å |
| 680 | S | 82.6 | Confident | 85.9 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | B | Isolated β-bridge | trans | -93.4 | 158.6 | -178.4 | 75.5 | 0 | 0 | 0 | 0 | 113.1 | F635 K637 P677 Q678 L682 M685 | F635-S680 CarbonylContact O-C 3.19Å; F635-S680 WeakPolarHBondContact O-CA 3.34Å; K637-S680 WeakPolarHBondContact CE-O 3.47Å; P677-S680 PolarHBondContact O-N 2.73Å; P677-S680 PolarHBondContact O-OG 2.83Å; Q678-S680 PolarHBondContact O-N 3.37Å; S680-L682 PolarHBondContact O-N 2.88Å; S680-M685 WeakPolarHBondContact OG-CE 3.5Å; S680-M685 PolarHBondContact OG-SD 2.95Å |
| 681 | D | 83.7 | Confident | 85.7 | Confident | 51 Ų | 51 | 40.1 Ų | 40.1 | 27% | 0.273 | 21% | 0.214 | S | C | . | . | trans | -76.2 | 107.2 | 167.2 | 172.9 | 26.1 | 0 | 0 | 0 | 110.9 | F635 K637 K652 K683 S684 M685 | F635-D681 PolarHBondContact O-N 3.03Å; K637-D681 HydrophobicContact CG-CB 4.48Å; K652-D681 IonicContact NZ-OD2 2.81Å; D681-K683 VanDerWaalsContact C-N 3.27Å; D681-K683 PolarHBondContact O-N 2.9Å; D681-K683 PolarHBondContact OD1-N 2.61Å; D681-S684 PolarHBondContact O-N 2.92Å; D681-S684 WeakPolarHBondContact OD2-CB 3.47Å; D681-S684 PolarHBondContact OD2-N 2.59Å; D681-S684 PolarHBondContact OD2-OG 3.28Å; D681-M685 WeakPolarHBondContact O-CG 3.49Å; D681-M685 PolarHBondContact O-N 3.2Å; D681-M685 VanDerWaalsContact O-N 3.08Å | ||
| 682 | L | 82.1 | Confident | 85.5 | Confident | 34 Ų | 34 | 40.5 Ų | 40.5 | 18% | 0.178 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -54.3 | -39.5 | -179.3 | -178.2 | 65.9 | 0 | 0 | 0 | 112.8 | S680 S684 M685 C686 W786 K789 T790 | S680-L682 PolarHBondContact O-N 2.88Å; L682-S684 PolarHBondContact O-N 2.78Å; L682-M685 PolarHBondContact O-N 2.95Å; L682-C686 VanDerWaalsContact CD1-SG 3.53Å; L682-C686 WeakPolarHBondContact O-CB 3.45Å; L682-C686 PolarHBondContact O-N 3.24Å; L682-C686 PolarHBondContact O-SG 3.19Å; L682-W786 HydrophobicContact CD1-CH2 4.35Å; L682-W786 HydrophobicContact CD1-CZ2 3.47Å; L682-W786 VanDerWaalsContact CD1-CZ2 3.47Å; L682-K789 HydrophobicContact CD2-CB 3.59Å; L682-K789 WeakPolarHBondContact CD2-O 3.41Å; L682-T790 HydrophobicContact CD1-CG2 4.39Å |
| 683 | K | 82.3 | Confident | 85.4 | Confident | 178 Ų | 178 | 40.5 Ų | 40.5 | 77% | 0.774 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -68.4 | -40.2 | -175.7 | -170.7 | 176.6 | -177.5 | 177.9 | 0 | 111.5 | D681 K687 | D681-K683 VanDerWaalsContact C-N 3.27Å; D681-K683 PolarHBondContact O-N 2.9Å; D681-K683 PolarHBondContact OD1-N 2.61Å; K683-K687 WeakPolarHBondContact O-CB 3.26Å; K683-K687 PolarHBondContact O-N 3.37Å |
| 684 | S | 81.9 | Confident | 85.3 | Confident | 29 Ų | 29 | 40.4 Ų | 40.4 | 20% | 0.203 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69.5 | -41.2 | 176.7 | -62.6 | 0 | 0 | 0 | 0 | 111.7 | K652 D681 L682 K687 M688 | K652-S684 VanDerWaalsContact CE-OG 3.24Å; K652-S684 WeakPolarHBondContact CE-OG 3.41Å; K652-S684 PolarHBondContact NZ-OG 3.35Å; D681-S684 PolarHBondContact O-N 2.92Å; D681-S684 WeakPolarHBondContact OD2-CB 3.47Å; D681-S684 PolarHBondContact OD2-N 2.59Å; D681-S684 PolarHBondContact OD2-OG 3.28Å; L682-S684 PolarHBondContact O-N 2.78Å; S684-K687 PolarHBondContact O-N 3.43Å; S684-M688 PolarHBondContact O-N 3.35Å |
| 685 | M | 82.7 | Confident | 85.3 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64 | -48.9 | 178 | -68.3 | -126.5 | -59.2 | 0 | 0 | 112.2 | L565 F635 P677 S680 D681 L682 K687 M688 Y689 W786 | L565-M685 HydrophobicContact CD2-CE 3.85Å; F635-M685 HydrophobicContact CB-CG 3.93Å; F635-M685 HydrophobicContact CD2-CG 3.53Å; F635-M685 HydrophobicContact CD2-SD 3.67Å; F635-M685 HydrophobicContact CE2-CG 4.22Å; F635-M685 HydrophobicContact CE2-SD 4.31Å; F635-M685 HydrophobicContact CG-CG 3.78Å; F635-M685 HydrophobicContact CG-SD 4.43Å; P677-M685 HydrophobicContact CB-CE 4.15Å; S680-M685 WeakPolarHBondContact OG-CE 3.5Å; S680-M685 PolarHBondContact OG-SD 2.95Å; D681-M685 WeakPolarHBondContact O-CG 3.49Å; D681-M685 PolarHBondContact O-N 3.2Å; D681-M685 VanDerWaalsContact O-N 3.08Å; L682-M685 PolarHBondContact O-N 2.95Å; M685-K687 PolarHBondContact O-N 3.01Å; M685-M688 PolarHBondContact O-N 3.21Å; M685-Y689 WeakPolarHBondContact O-CD2 3.43Å; M685-Y689 PolarHBondContact O-N 2.93Å; M685-W786 HydrophobicContact CE-CH2 4.3Å; M685-W786 HydrophobicContact CE-CZ2 3.79Å |
| 686 | C | 82.8 | Confident | 85.4 | Confident | 28 Ų | 28 | 36 Ų | 36 | 19% | 0.189 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.4 | -19.7 | 179.1 | -63.7 | 0 | 0 | 0 | 0 | 113.3 | L682 P791 | L682-C686 VanDerWaalsContact CD1-SG 3.53Å; L682-C686 WeakPolarHBondContact O-CB 3.45Å; L682-C686 PolarHBondContact O-N 3.24Å; L682-C686 PolarHBondContact O-SG 3.19Å; C686-P791 HydrophobicContact CB-CG 3.92Å; C686-P791 VanDerWaalsContact SG-CD 3.55Å |
| 687 | K | 84.4 | Confident | 85.6 | Confident | 156 Ų | 156 | 37.4 Ų | 37.4 | 68% | 0.678 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -78.7 | -28.3 | 172.6 | -173.9 | 176.4 | 179.8 | 179.5 | 0 | 112.2 | K683 S684 M685 | K683-K687 WeakPolarHBondContact O-CB 3.26Å; K683-K687 PolarHBondContact O-N 3.37Å; S684-K687 PolarHBondContact O-N 3.43Å; M685-K687 PolarHBondContact O-N 3.01Å |
| 688 | M | 84.1 | Confident | 85.8 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -84.3 | -44.2 | 179.2 | 179.6 | 63.2 | -156.2 | 0 | 0 | 111.6 | S563 F635 L655 P656 L659 I670 S684 M685 | S563-M688 WeakPolarHBondContact CB-O 3.45Å; S563-M688 PolarHBondContact OG-O 3.31Å; F635-M688 HydrophobicContact CE1-CB 4.46Å; F635-M688 HydrophobicContact CZ-CB 3.92Å; F635-M688 HydrophobicContact CZ-CG 4.02Å; L655-M688 HydrophobicContact CB-SD 4.48Å; L655-M688 HydrophobicContact CD2-CE 3.42Å; L655-M688 VanDerWaalsContact CD2-CE 3.42Å; L655-M688 HydrophobicContact CD2-SD 3.9Å; L655-M688 HydrophobicContact CG-CE 3.56Å; L655-M688 HydrophobicContact CG-SD 4.01Å; P656-M688 HydrophobicContact CB-SD 4.4Å; P656-M688 HydrophobicContact CG-SD 4.04Å; L659-M688 HydrophobicContact CD1-CE 4.27Å; L659-M688 HydrophobicContact CD2-CE 4.44Å; L659-M688 VanDerWaalsContact CD2-O 3.27Å; L659-M688 WeakPolarHBondContact CD2-O 3.24Å; L659-M688 HydrophobicContact CD2-SD 4.28Å; I670-M688 HydrophobicContact CD1-CE 3.77Å; I670-M688 HydrophobicContact CG2-CE 4.02Å; S684-M688 PolarHBondContact O-N 3.35Å; M685-M688 PolarHBondContact O-N 3.21Å |
| 689 | Y | 88.1 | Confident | 86 | Confident | 3 Ų | 3 | 36.7 Ų | 36.7 | 1% | 0.012 | 19% | 0.194 | C | C | . | . | trans | -103.1 | 112.7 | -175 | -61.9 | -76.1 | 0 | 0 | 0 | 110.5 | S563 I564 L565 A631 F635 G672 M685 | S563-Y689 VanDerWaalsContact OG-CA 3.32Å; S563-Y689 WeakPolarHBondContact OG-CA 3.43Å; I564-Y689 WeakPolarHBondContact O-CD1 3.22Å; L565-Y689 HydrophobicContact CB-CD1 3.85Å; L565-Y689 HydrophobicContact CB-CD2 4.03Å; L565-Y689 HydrophobicContact CB-CE1 4.48Å; L565-Y689 HydrophobicContact CB-CG 3.6Å; L565-Y689 HydrophobicContact CD1-CD2 4.07Å; L565-Y689 HydrophobicContact CD1-CE1 4.39Å; L565-Y689 HydrophobicContact CD1-CE2 3.9Å; L565-Y689 HydrophobicContact CD1-CG 4.38Å; L565-Y689 HydrophobicContact CD2-CD2 4.04Å; L565-Y689 HydrophobicContact CD2-CG 4.41Å; L565-Y689 HydrophobicContact CG-CD2 4.27Å; L565-Y689 HydrophobicContact CG-CG 4.34Å; A631-Y689 HydrophobicContact CB-CE2 4.3Å; A631-Y689 WeakPolarHBondContact CB-OH 3.35Å; F635-Y689 HydrophobicContact CE2-CE2 4.07Å; G672-Y689 WeakPolarHBondContact CA-OH 3.16Å; M685-Y689 WeakPolarHBondContact O-CD2 3.43Å; M685-Y689 PolarHBondContact O-N 2.93Å | ||
| 690 | G | 84.6 | Confident | 86.3 | Confident | 61 Ų | 61 | 37 Ų | 37 | 63% | 0.629 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -70.6 | -35.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S563 | S563-G690 PolarHBondContact O-N 3.47Å; S563-G690 PolarHBondContact OG-N 3.07Å |
| 691 | K | 89.9 | Confident | 86.4 | Confident | 20 Ų | 20 | 38 Ų | 38 | 9% | 0.087 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 130.6 | 178 | -69.4 | -69.2 | -175.7 | 166.9 | 0 | 110.7 | E98 Y544 I561 S563 I564 L565 | E98-K691 VanDerWaalsContact CD-NZ 3.33Å; E98-K691 WeakPolarHBondContact OE1-CD 3.4Å; E98-K691 IonicContact OE1-NZ 2.85Å; E98-K691 PolarHBondContact OE1-NZ 3.03Å; E98-K691 IonicContact OE2-NZ 2.85Å; E98-K691 PolarHBondContact OE2-NZ 3.08Å; Y544-K691 HydrophobicContact CE2-CD 4.29Å; I561-K691 HydrophobicContact CD1-CG 4.46Å; I561-K691 HydrophobicContact CG2-CB 4.5Å; I561-K691 HydrophobicContact CG2-CG 3.94Å; S563-K691 PolarHBondContact O-N 2.72Å; S563-K691 VanDerWaalsContact O-N 3.08Å; I564-K691 CarbonylContact C-O 3.29Å; I564-K691 WeakPolarHBondContact CA-O 3.33Å; I564-K691 HydrophobicContact CG1-CB 4.28Å; L565-K691 PolarHBondContact N-O 2.92Å |
| 692 | I | 91.1 | Very high | 86.7 | Confident | 9 Ų | 9 | 35.6 Ų | 35.6 | 5% | 0.046 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 114.4 | 179.9 | -58 | 176 | 0 | 0 | 0 | 107.6 | L565 V567 W786 Y787 T790 | L565-I692 HydrophobicContact CB-CG1 4.34Å; L565-I692 HydrophobicContact CD2-CG1 4.42Å; L565-I692 HydrophobicContact CD2-CG2 4.35Å; V567-I692 HydrophobicContact CG2-CG2 3.64Å; I692-W786 HydrophobicContact CG2-CH2 4.13Å; I692-W786 HydrophobicContact CG2-CZ3 4.13Å; I692-Y787 HydrophobicContact CG2-CE2 4.37Å; I692-T790 HydrophobicContact CD1-CG2 4.01Å |
| 693 | I | 91.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 120 | -175.4 | -60.3 | 173.3 | 0 | 0 | 0 | 108.1 | Y99 V537 V540 L541 I564 L565 L566 V567 | Y99-I693 VanDerWaalsContact OH-CG2 3.26Å; Y99-I693 WeakPolarHBondContact OH-CG2 3.42Å; V537-I693 HydrophobicContact CG1-CG2 4.3Å; V540-I693 HydrophobicContact CG1-CD1 3.73Å; V540-I693 HydrophobicContact CG1-CG1 4.14Å; L541-I693 HydrophobicContact CD2-CD1 3.47Å; L541-I693 VanDerWaalsContact CD2-CD1 3.47Å; L541-I693 HydrophobicContact CG-CD1 4.19Å; I564-I693 HydrophobicContact CG2-CD1 3.66Å; I564-I693 HydrophobicContact CG2-CG1 4.28Å; L565-I693 PolarHBondContact O-N 3.27Å; L566-I693 HydrophobicContact CD2-CB 4.14Å; L566-I693 HydrophobicContact CD2-CD1 4.3Å; V567-I693 PolarHBondContact N-O 2.98Å |
| 694 | L | 90.1 | Very high | 87.5 | Confident | 4 Ų | 4 | 29.9 Ų | 29.9 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 121.1 | 177.1 | 178.4 | 64.9 | 0 | 0 | 0 | 110 | Y99 M531 P532 V567 L783 Y787 | Y99-L694 PolarHBondContact OH-N 3.42Å; Y99-L694 PolarHBondContact OH-O 3.35Å; M531-L694 HydrophobicContact CE-CD2 3.83Å; M531-L694 HydrophobicContact SD-CD2 4.5Å; P532-L694 WeakPolarHBondContact CG-O 3.28Å; V567-L694 HydrophobicContact CG1-CD1 4.44Å; V567-L694 CarbonylContact O-C 3.54Å; V567-L694 WeakPolarHBondContact O-CA 3.45Å; L694-L783 HydrophobicContact CD1-CD1 4.29Å; L694-L783 HydrophobicContact CD1-CD2 3.49Å; L694-L783 VanDerWaalsContact CD1-CD2 3.49Å; L694-L783 HydrophobicContact CD1-CG 3.66Å; L694-Y787 HydrophobicContact CB-CD2 4.02Å; L694-Y787 HydrophobicContact CB-CE2 3.98Å; L694-Y787 HydrophobicContact CD2-CD1 4.31Å; L694-Y787 HydrophobicContact CD2-CD2 4.41Å; L694-Y787 HydrophobicContact CD2-CG 4.1Å |
| 695 | I | 91.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -106 | 110.1 | 175.5 | -49.1 | -172.6 | 0 | 0 | 0 | 108 | L534 V537 L566 V567 G568 P569 V572 K574 L577 | L534-I695 HydrophobicContact CD2-CG2 4.16Å; V537-I695 HydrophobicContact CG1-CD1 3.93Å; V537-I695 HydrophobicContact CG1-CG1 3.85Å; V537-I695 HydrophobicContact CG2-CG1 4.31Å; L566-I695 HydrophobicContact CB-CD1 4.18Å; V567-I695 PolarHBondContact O-N 3.29Å; G568-I695 VanDerWaalsContact CA-O 3.28Å; G568-I695 WeakPolarHBondContact CA-O 3.43Å; P569-I695 WeakPolarHBondContact CD-O 3.46Å; V572-I695 HydrophobicContact CB-CG2 4.1Å; V572-I695 HydrophobicContact CG2-CB 4.2Å; V572-I695 HydrophobicContact CG2-CG2 3.78Å; K574-I695 HydrophobicContact CG-CD1 3.89Å; L577-I695 HydrophobicContact CD1-CD1 3.52Å | ||
| 696 | P | 88.2 | Confident | 88.1 | Confident | 5 Ų | 5 | 30.6 Ų | 30.6 | 3% | 0.032 | 16% | 0.159 | C | C | . | . | trans | -83.8 | 179.8 | 178.6 | 28.7 | -23.8 | 0 | 0 | 0 | 111.9 | M531 P532 | M531-P696 HydrophobicContact CE-CB 3.72Å; M531-P696 HydrophobicContact CE-CG 4.48Å; P532-P696 HydrophobicContact CG-CG 3.98Å; P532-P696 WeakPolarHBondContact O-CG 3.41Å | ||
| 697 | R | 87.2 | Confident | 88.5 | Confident | 48 Ų | 48 | 29.3 Ų | 29.3 | 18% | 0.181 | 15% | 0.15 | C | C | . | . | P | Polyproline II helix | trans | -63.7 | 152.3 | 164 | 66.6 | -169.3 | -171.4 | 89.8 | -12.1 | 110.1 | D699 D732 E780 | R697-D699 PolarHBondContact O-N 3.06Å; R697-D732 IonicContact CZ-OD1 3.71Å; R697-D732 IonicContact CZ-OD2 3.93Å; R697-D732 IonicContact NH1-OD1 3.31Å; R697-D732 PolarHBondContact NH1-OD1 3.19Å; R697-D732 IonicContact NH1-OD2 2.95Å; R697-D732 IonicContact NH2-OD1 3.44Å; R697-D732 IonicContact NH2-OD2 2.71Å; R697-D732 PolarHBondContact NH2-OD2 3.4Å; R697-E780 IonicContact CZ-OE2 2.68Å; R697-E780 IonicContact NE-OE2 3.23Å; R697-E780 PolarHBondContact NE-OE2 3.37Å |
| 698 | P | 88.4 | Confident | 88.6 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | P | Polyproline II helix | trans | -64.9 | 134.3 | 180 | 26 | -35 | 0 | 0 | 0 | 111 | L534 R703 L706 P736 | L534-P698 HydrophobicContact CD1-CB 3.92Å; P698-R703 HydrophobicContact CB-CG 3.71Å; P698-R703 HydrophobicContact CG-CG 3.63Å; P698-R703 PolarHBondContact O-NH1 3.47Å; P698-L706 HydrophobicContact CB-CD1 3.91Å; P698-L706 HydrophobicContact CG-CD1 4.35Å; P698-P736 HydrophobicContact CB-CG 4.47Å; P698-P736 HydrophobicContact CG-CG 4.02Å |
| 699 | D | 87.4 | Confident | 88.8 | Confident | 51 Ų | 51 | 29.4 Ų | 29.4 | 27% | 0.273 | 15% | 0.152 | S | C | . | . | P | Polyproline II helix | trans | -67 | 168.6 | 170.9 | -63.7 | -33 | 0 | 0 | 0 | 111.8 | R697 G701 S702 R703 | R697-D699 PolarHBondContact O-N 3.06Å; D699-G701 PolarHBondContact O-N 3.44Å; D699-S702 PolarHBondContact O-N 3.28Å; D699-S702 VanDerWaalsContact O-N 3.17Å; D699-R703 WeakPolarHBondContact O-CG 3.26Å; D699-R703 PolarHBondContact O-N 2.55Å |
| 700 | Y | 87.6 | Confident | 88.7 | Confident | 100 Ų | 100 | 30.6 Ų | 30.6 | 39% | 0.392 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -53.1 | -49.2 | 179 | 177 | -98.3 | 0 | 0 | 0 | 112.9 | R703 Y704 T728 K729 | Y700-R703 PolarHBondContact O-N 3.22Å; Y700-Y704 PolarHBondContact O-N 2.63Å; Y700-T728 WeakPolarHBondContact CE2-OG1 3.18Å; Y700-K729 HydrophobicContact CD2-CG 4.43Å; Y700-K729 HydrophobicContact CE2-CG 3.73Å |
| 701 | G | 86.3 | Confident | 88.8 | Confident | 21 Ų | 21 | 27.7 Ų | 27.7 | 22% | 0.216 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.4 | -45.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | D699 R703 Y704 I705 | D699-G701 PolarHBondContact O-N 3.44Å; G701-R703 PolarHBondContact O-N 3.33Å; G701-Y704 WeakPolarHBondContact O-CB 3.39Å; G701-Y704 PolarHBondContact O-N 2.94Å; G701-I705 WeakPolarHBondContact O-CG1 3.35Å; G701-I705 PolarHBondContact O-N 3.25Å; G701-I705 VanDerWaalsContact O-N 3.14Å |
| 702 | S | 89 | Confident | 88.5 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.9 | -42.3 | 175.6 | -68.5 | 0 | 0 | 0 | 0 | 112.5 | D515 D699 Y704 I705 L706 | D515-S702 PolarHBondContact N-OG 3.33Å; D699-S702 PolarHBondContact O-N 3.28Å; D699-S702 VanDerWaalsContact O-N 3.17Å; S702-Y704 VanDerWaalsContact C-N 3.34Å; S702-Y704 PolarHBondContact O-N 2.9Å; S702-I705 PolarHBondContact O-N 2.96Å; S702-L706 WeakPolarHBondContact O-CB 3.46Å; S702-L706 WeakPolarHBondContact O-CD1 3.49Å; S702-L706 WeakPolarHBondContact O-CG 3.26Å; S702-L706 PolarHBondContact O-N 3.45Å |
| 703 | R | 90.3 | Very high | 88.1 | Confident | 9 Ų | 9 | 38.8 Ų | 38.8 | 3% | 0.034 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.5 | -39 | 176.9 | -73.2 | -167.8 | -58.6 | -101.5 | 15.6 | 112.2 | P698 D699 Y700 G701 L706 W707 T728 T731 D732 M739 | P698-R703 HydrophobicContact CB-CG 3.71Å; P698-R703 HydrophobicContact CG-CG 3.63Å; P698-R703 PolarHBondContact O-NH1 3.47Å; D699-R703 WeakPolarHBondContact O-CG 3.26Å; D699-R703 PolarHBondContact O-N 2.55Å; Y700-R703 PolarHBondContact O-N 3.22Å; G701-R703 PolarHBondContact O-N 3.33Å; R703-L706 PolarHBondContact O-N 2.67Å; R703-W707 VanDerWaalsContact O-CD1 3.26Å; R703-W707 PolarHBondContact O-N 3.03Å; R703-T728 HydrophobicContact CB-CG2 4.32Å; R703-T728 PolarHBondContact NE-O 3.03Å; R703-T728 VanDerWaalsContact NE-O 3.14Å; R703-T728 PolarHBondContact NH2-O 2.96Å; R703-T731 WeakPolarHBondContact CD-O 3.45Å; R703-D732 IonicContact CZ-OD1 2.73Å; R703-D732 IonicContact NH1-OD1 2.69Å; R703-D732 PolarHBondContact NH1-OD1 3.35Å; R703-D732 IonicContact NH2-OD1 3.3Å; R703-D732 PolarHBondContact NH2-OD1 3.47Å; R703-M739 HydrophobicContact CB-CE 4.36Å |
| 704 | Y | 90.4 | Very high | 87.5 | Confident | 83 Ų | 83 | 41.6 Ų | 41.6 | 33% | 0.325 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.1 | -50.8 | 176.8 | -178.9 | -86.3 | 0 | 0 | 0 | 111.4 | Y700 G701 S702 L706 W707 E708 L724 T725 T728 | Y700-Y704 PolarHBondContact O-N 2.63Å; G701-Y704 WeakPolarHBondContact O-CB 3.39Å; G701-Y704 PolarHBondContact O-N 2.94Å; S702-Y704 VanDerWaalsContact C-N 3.34Å; S702-Y704 PolarHBondContact O-N 2.9Å; Y704-L706 VanDerWaalsContact C-N 3.29Å; Y704-L706 PolarHBondContact O-N 3.44Å; Y704-W707 PolarHBondContact O-N 2.94Å; Y704-E708 WeakPolarHBondContact O-CB 3.48Å; Y704-E708 PolarHBondContact O-N 3.32Å; Y704-L724 HydrophobicContact CD2-CB 4.09Å; Y704-L724 HydrophobicContact CE2-CB 3.66Å; Y704-L724 HydrophobicContact CE2-CD1 4.21Å; Y704-T725 HydrophobicContact CE2-CG2 4.15Å; Y704-T728 HydrophobicContact CD2-CG2 4.15Å; Y704-T728 HydrophobicContact CG-CG2 4.45Å |
| 705 | I | 88.8 | Confident | 86.7 | Confident | 34 Ų | 34 | 43.5 Ų | 43.5 | 17% | 0.174 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.7 | -40.3 | 177.4 | -63 | 174.8 | 0 | 0 | 0 | 111 | L513 D515 G701 S702 K709 | L513-I705 HydrophobicContact CB-CG2 4.39Å; D515-I705 HydrophobicContact CB-CD1 3.75Å; G701-I705 WeakPolarHBondContact O-CG1 3.35Å; G701-I705 PolarHBondContact O-N 3.25Å; G701-I705 VanDerWaalsContact O-N 3.14Å; S702-I705 PolarHBondContact O-N 2.96Å; I705-K709 HydrophobicContact CG2-CD 3.78Å; I705-K709 HydrophobicContact CG2-CG 4.26Å; I705-K709 WeakPolarHBondContact O-CB 3.35Å; I705-K709 WeakPolarHBondContact O-CG 3.42Å; I705-K709 PolarHBondContact O-N 2.83Å |
| 706 | L | 89.5 | Confident | 86 | Confident | 10 Ų | 10 | 43.7 Ų | 43.7 | 5% | 0.052 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.6 | -53.4 | 176.9 | -79.5 | 165.1 | 0 | 0 | 0 | 111.4 | L513 L534 P698 S702 R703 Y704 E708 L710 P736 M739 | L513-L706 HydrophobicContact CB-CD2 3.81Å; L513-L706 HydrophobicContact CB-CG 4.31Å; L513-L706 HydrophobicContact CD1-CD2 4.19Å; L513-L706 HydrophobicContact CG-CD2 4.5Å; L534-L706 HydrophobicContact CD1-CD1 4.41Å; P698-L706 HydrophobicContact CB-CD1 3.91Å; P698-L706 HydrophobicContact CG-CD1 4.35Å; S702-L706 WeakPolarHBondContact O-CB 3.46Å; S702-L706 WeakPolarHBondContact O-CD1 3.49Å; S702-L706 WeakPolarHBondContact O-CG 3.26Å; S702-L706 PolarHBondContact O-N 3.45Å; R703-L706 PolarHBondContact O-N 2.67Å; Y704-L706 VanDerWaalsContact C-N 3.29Å; Y704-L706 PolarHBondContact O-N 3.44Å; L706-E708 VanDerWaalsContact C-N 3.35Å; L706-E708 PolarHBondContact O-N 3.24Å; L706-L710 HydrophobicContact CB-CD1 4.26Å; L706-L710 HydrophobicContact CD2-CD1 4.07Å; L706-L710 WeakPolarHBondContact O-CB 3.5Å; L706-L710 WeakPolarHBondContact O-CD1 3.16Å; L706-L710 WeakPolarHBondContact O-CG 3.2Å; L706-L710 PolarHBondContact O-N 3.35Å; L706-P736 HydrophobicContact CD1-CB 4.13Å; L706-P736 HydrophobicContact CD1-CG 3.85Å; L706-P736 HydrophobicContact CD2-CB 4.39Å; L706-M739 HydrophobicContact CB-CE 3.85Å; L706-M739 HydrophobicContact CD1-SD 4.3Å |
| 707 | W | 89.8 | Confident | 85.5 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.8 | -48 | 177.6 | -82.3 | 117.8 | 0 | 0 | 0 | 111.6 | R703 Y704 I711 L724 L727 T731 M739 V742 I743 F765 L769 | R703-W707 VanDerWaalsContact O-CD1 3.26Å; R703-W707 PolarHBondContact O-N 3.03Å; Y704-W707 PolarHBondContact O-N 2.94Å; W707-I711 HydrophobicContact CE3-CD1 3.96Å; W707-I711 HydrophobicContact CE3-CG1 4.32Å; W707-I711 VanDerWaalsContact O-CB 3.3Å; W707-I711 WeakPolarHBondContact O-CB 3.49Å; W707-I711 WeakPolarHBondContact O-CD1 3.08Å; W707-I711 WeakPolarHBondContact O-CG1 3.1Å; W707-I711 PolarHBondContact O-N 3.29Å; W707-I711 VanDerWaalsContact O-N 3.08Å; W707-L724 HydrophobicContact CB-CD2 4.12Å; W707-L727 HydrophobicContact CD2-CD2 3.67Å; W707-L727 HydrophobicContact CD2-CG 4.26Å; W707-L727 HydrophobicContact CE3-CD2 3.85Å; W707-L727 HydrophobicContact CG-CD2 4.09Å; W707-L727 HydrophobicContact CH2-CD2 4.41Å; W707-L727 HydrophobicContact CZ2-CD1 4.44Å; W707-L727 HydrophobicContact CZ2-CD2 4.27Å; W707-L727 HydrophobicContact CZ2-CG 4.33Å; W707-L727 HydrophobicContact CZ3-CD2 4.17Å; W707-T731 HydrophobicContact CZ2-CG2 3.63Å; W707-T731 PolarHBondContact NE1-OG1 3.2Å; W707-M739 HydrophobicContact CD2-CE 3.79Å; W707-M739 VanDerWaalsContact CE2-CE 3.45Å; W707-M739 HydrophobicContact CG-CE 3.66Å; W707-M739 HydrophobicContact CH2-CB 4.46Å; W707-M739 HydrophobicContact CZ2-CB 4.29Å; W707-M739 HydrophobicContact CZ2-CE 4.13Å; W707-M739 HydrophobicContact CZ2-CG 4.02Å; W707-V742 HydrophobicContact CH2-CG1 4.22Å; W707-I743 HydrophobicContact CE3-CD1 3.67Å; W707-I743 HydrophobicContact CE3-CG1 3.82Å; W707-I743 HydrophobicContact CH2-CG1 4.23Å; W707-I743 HydrophobicContact CZ3-CD1 3.67Å; W707-I743 HydrophobicContact CZ3-CG1 3.32Å; W707-F765 HydrophobicContact CH2-CB 4.23Å; W707-F765 HydrophobicContact CH2-CD1 4.15Å; W707-F765 HydrophobicContact CH2-CG 4.4Å; W707-F765 HydrophobicContact CZ3-CB 4.42Å; W707-F765 AromaticContact CZ3-CD1 3.65Å; W707-F765 HydrophobicContact CZ3-CD1 3.65Å; W707-F765 HydrophobicContact CZ3-CE1 4.11Å; W707-F765 HydrophobicContact CZ3-CG 4.1Å; W707-L769 HydrophobicContact CH2-CD1 4.28Å; W707-L769 HydrophobicContact CZ2-CD1 4.06Å |
| 708 | E | 88.4 | Confident | 85 | Confident | 52 Ų | 52 | 47.9 Ų | 47.9 | 24% | 0.243 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.4 | -53 | -178.3 | -170.5 | -170.8 | -177.4 | 0 | 0 | 111.9 | Y704 L706 K712 I718 L724 | Y704-E708 WeakPolarHBondContact O-CB 3.48Å; Y704-E708 PolarHBondContact O-N 3.32Å; L706-E708 VanDerWaalsContact C-N 3.35Å; L706-E708 PolarHBondContact O-N 3.24Å; E708-K712 HydrophobicContact CG-CD 4.45Å; E708-K712 VanDerWaalsContact O-CG 3.3Å; E708-K712 WeakPolarHBondContact O-CG 3.1Å; E708-K712 PolarHBondContact O-N 2.51Å; E708-K712 IonicContact OE1-NZ 2.61Å; E708-K712 PolarHBondContact OE1-NZ 3.34Å; E708-I718 HydrophobicContact CB-CD1 4.28Å; E708-I718 HydrophobicContact CG-CD1 3.67Å; E708-L724 HydrophobicContact CB-CD1 4.27Å; E708-L724 HydrophobicContact CG-CD1 4.36Å |
| 709 | K | 86.5 | Confident | 84.4 | Confident | 107 Ų | 107 | 51 Ų | 51 | 47% | 0.465 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -73.8 | -37.1 | -175.5 | -71.6 | -174.9 | 175.1 | -178.9 | 0 | 112.6 | L513 I705 K712 K713 | L513-K709 HydrophobicContact CD1-CB 3.49Å; L513-K709 VanDerWaalsContact CD1-CB 3.49Å; L513-K709 HydrophobicContact CD1-CD 3.66Å; L513-K709 HydrophobicContact CD1-CG 4.17Å; L513-K709 HydrophobicContact CD2-CD 3.5Å; L513-K709 HydrophobicContact CG-CD 4.18Å; I705-K709 HydrophobicContact CG2-CD 3.78Å; I705-K709 HydrophobicContact CG2-CG 4.26Å; I705-K709 WeakPolarHBondContact O-CB 3.35Å; I705-K709 WeakPolarHBondContact O-CG 3.42Å; I705-K709 PolarHBondContact O-N 2.83Å; K709-K712 PolarHBondContact O-N 3.46Å; K709-K713 VanDerWaalsContact O-CB 3.25Å; K709-K713 WeakPolarHBondContact O-CB 3.17Å; K709-K713 PolarHBondContact O-N 2.88Å |
| 710 | L | 86.1 | Confident | 83.8 | Confident | 28 Ų | 28 | 57 Ų | 57 | 15% | 0.147 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -69.5 | -39.9 | -179.9 | -67.8 | 172.7 | 0 | 0 | 0 | 111.8 | L706 K713 Q714 V740 I743 | L706-L710 HydrophobicContact CB-CD1 4.26Å; L706-L710 HydrophobicContact CD2-CD1 4.07Å; L706-L710 WeakPolarHBondContact O-CB 3.5Å; L706-L710 WeakPolarHBondContact O-CD1 3.16Å; L706-L710 WeakPolarHBondContact O-CG 3.2Å; L706-L710 PolarHBondContact O-N 3.35Å; L710-K713 PolarHBondContact O-N 3.33Å; L710-Q714 PolarHBondContact O-N 2.68Å; L710-Q714 VanDerWaalsContact O-N 3.15Å; L710-V740 HydrophobicContact CD1-CG2 3.7Å; L710-V740 HydrophobicContact CD2-CG2 4.04Å; L710-V740 HydrophobicContact CG-CG2 4.5Å; L710-I743 HydrophobicContact CB-CD1 3.47Å; L710-I743 VanDerWaalsContact CB-CD1 3.47Å; L710-I743 HydrophobicContact CD1-CD1 4.06Å; L710-I743 HydrophobicContact CG-CD1 4.43Å |
| 711 | I | 86.6 | Confident | 83.1 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.8 | -47.7 | 174.7 | -68.9 | 171 | 0 | 0 | 0 | 110 | W707 K713 Q714 G715 G716 I718 L722 L724 I743 L760 F765 | W707-I711 HydrophobicContact CE3-CD1 3.96Å; W707-I711 HydrophobicContact CE3-CG1 4.32Å; W707-I711 VanDerWaalsContact O-CB 3.3Å; W707-I711 WeakPolarHBondContact O-CB 3.49Å; W707-I711 WeakPolarHBondContact O-CD1 3.08Å; W707-I711 WeakPolarHBondContact O-CG1 3.1Å; W707-I711 PolarHBondContact O-N 3.29Å; W707-I711 VanDerWaalsContact O-N 3.08Å; I711-K713 VanDerWaalsContact C-N 3.33Å; I711-K713 PolarHBondContact O-N 3.39Å; I711-Q714 PolarHBondContact O-N 3.28Å; I711-G715 PolarHBondContact O-N 3.11Å; I711-G716 WeakPolarHBondContact O-CA 3.09Å; I711-G716 PolarHBondContact O-N 3.4Å; I711-I718 HydrophobicContact CG2-CG1 4.03Å; I711-L722 HydrophobicContact CD1-CD2 3.86Å; I711-L724 HydrophobicContact CD1-CD2 4.34Å; I711-I743 HydrophobicContact CG1-CD1 4.18Å; I711-I743 HydrophobicContact CG1-CG1 4.29Å; I711-I743 HydrophobicContact CG1-CG2 4.32Å; I711-L760 HydrophobicContact CG2-CD1 4.1Å; I711-F765 HydrophobicContact CD1-CE1 4.4Å; I711-F765 HydrophobicContact CD1-CE2 4.38Å; I711-F765 HydrophobicContact CD1-CZ 3.93Å; I711-F765 HydrophobicContact CG1-CZ 4.39Å |
| 712 | K | 84.6 | Confident | 82.9 | Confident | 114 Ų | 114 | 54.1 Ų | 54.1 | 50% | 0.496 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.8 | -42.2 | 176.6 | -72.9 | 178.4 | -169.2 | 175.2 | 0 | 111.9 | E708 K709 Q714 G715 I718 | E708-K712 HydrophobicContact CG-CD 4.45Å; E708-K712 VanDerWaalsContact O-CG 3.3Å; E708-K712 WeakPolarHBondContact O-CG 3.1Å; E708-K712 PolarHBondContact O-N 2.51Å; E708-K712 IonicContact OE1-NZ 2.61Å; E708-K712 PolarHBondContact OE1-NZ 3.34Å; K709-K712 PolarHBondContact O-N 3.46Å; K712-Q714 VanDerWaalsContact C-N 3.25Å; K712-Q714 PolarHBondContact O-N 2.58Å; K712-G715 PolarHBondContact O-N 3.22Å; K712-I718 HydrophobicContact CD-CD1 4.45Å; K712-I718 HydrophobicContact CG-CD1 4.01Å; K712-I718 HydrophobicContact CG-CG1 4.48Å |
| 713 | K | 82.2 | Confident | 82.7 | Confident | 148 Ų | 148 | 57.4 Ų | 57.4 | 64% | 0.643 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -62.8 | -30.3 | 179.3 | -171.2 | 170.1 | -176.3 | 168.7 | 0 | 112.7 | D511 K709 L710 I711 G715 | D511-K713 IonicContact OD1-NZ 2.74Å; D511-K713 PolarHBondContact OD1-NZ 3.09Å; K709-K713 VanDerWaalsContact O-CB 3.25Å; K709-K713 WeakPolarHBondContact O-CB 3.17Å; K709-K713 PolarHBondContact O-N 2.88Å; L710-K713 PolarHBondContact O-N 3.33Å; I711-K713 VanDerWaalsContact C-N 3.33Å; I711-K713 PolarHBondContact O-N 3.39Å; K713-G715 VanDerWaalsContact C-N 3.31Å |
| 714 | Q | 79.6 | Confident | 82.4 | Confident | 60 Ų | 60 | 57.5 Ų | 57.5 | 28% | 0.28 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 6 | 174.2 | -65.4 | -159.5 | 10.4 | 0 | 0 | 113.8 | L710 I711 K712 I743 S744 V747 I752 | L710-Q714 PolarHBondContact O-N 2.68Å; L710-Q714 VanDerWaalsContact O-N 3.15Å; I711-Q714 PolarHBondContact O-N 3.28Å; K712-Q714 VanDerWaalsContact C-N 3.25Å; K712-Q714 PolarHBondContact O-N 2.58Å; Q714-I743 HydrophobicContact CB-CG2 4.35Å; Q714-I743 HydrophobicContact CG-CG2 4.14Å; Q714-I743 PolarHBondContact OE1-O 3.41Å; Q714-S744 VanDerWaalsContact OE1-CA 3.28Å; Q714-V747 HydrophobicContact CB-CB 4.4Å; Q714-V747 HydrophobicContact CB-CG1 4.06Å; Q714-I752 WeakPolarHBondContact O-CD1 3.15Å |
| 715 | G | 73.5 | Confident | 82.3 | Confident | 43 Ų | 43 | 56.3 Ų | 56.3 | 44% | 0.443 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.8 | 10 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | I711 K712 K713 | I711-G715 PolarHBondContact O-N 3.11Å; K712-G715 PolarHBondContact O-N 3.22Å; K713-G715 VanDerWaalsContact C-N 3.31Å |
| 716 | G | 76.3 | Confident | 82.2 | Confident | 5 Ų | 5 | 57.3 Ų | 57.3 | 5% | 0.052 | 31% | 0.308 | C | S | . | . | trans | -72.4 | 133.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I711 | I711-G716 WeakPolarHBondContact O-CA 3.09Å; I711-G716 PolarHBondContact O-N 3.4Å | ||
| 717 | K | 76.8 | Confident | 82.1 | Confident | 85 Ų | 85 | 56.9 Ų | 56.9 | 37% | 0.37 | 31% | 0.306 | S | S | . | . | trans | -90.6 | 122.5 | 173.9 | -71.7 | -169.1 | 168.7 | -168.7 | 0 | 110.4 | K245 T719 L755 | K245-K717 HydrophobicContact CG-CD 4.36Å; K245-K717 VanDerWaalsContact CG-CE 3.47Å; K717-T719 PolarHBondContact O-N 3.2Å; K717-L755 HydrophobicContact CB-CD1 4.5Å | ||
| 718 | I | 76.5 | Confident | 82.1 | Confident | 55 Ų | 55 | 56.9 Ų | 56.9 | 28% | 0.282 | 31% | 0.306 | S | S | . | . | trans | -85.9 | 105.1 | 175.1 | -55.6 | 179 | 0 | 0 | 0 | 107.6 | E708 I711 K712 L722 L724 | E708-I718 HydrophobicContact CB-CD1 4.28Å; E708-I718 HydrophobicContact CG-CD1 3.67Å; I711-I718 HydrophobicContact CG2-CG1 4.03Å; K712-I718 HydrophobicContact CD-CD1 4.45Å; K712-I718 HydrophobicContact CG-CD1 4.01Å; K712-I718 HydrophobicContact CG-CG1 4.48Å; I718-L722 HydrophobicContact CG1-CD2 4.46Å; I718-L722 HydrophobicContact CG2-CD2 4.37Å; I718-L724 HydrophobicContact CD1-CD1 4.16Å; I718-L724 HydrophobicContact CG2-CD1 3.94Å; I718-L724 HydrophobicContact CG2-CG 4.41Å | ||
| 719 | T | 77 | Confident | 82.1 | Confident | 66 Ų | 66 | 60.9 Ų | 60.9 | 41% | 0.405 | 32% | 0.322 | S | S | . | . | trans | -100.3 | 164.3 | 172.7 | 21.7 | 0 | 0 | 0 | 0 | 110.6 | K717 A721 L722 P759 | K717-T719 PolarHBondContact O-N 3.2Å; T719-A721 PolarHBondContact O-N 3.35Å; T719-L722 PolarHBondContact O-N 3.34Å; T719-P759 WeakPolarHBondContact OG1-CB 3.18Å | ||
| 720 | N | 73.9 | Confident | 82.2 | Confident | 178 Ų | 178 | 59.8 Ų | 59.8 | 95% | 0.952 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -15.4 | 175.2 | -63.7 | -1.4 | 0 | 0 | 0 | 114.2 | L722 | N720-L722 VanDerWaalsContact C-N 3.3Š|
| 721 | A | 73.9 | Confident | 82.2 | Confident | 52 Ų | 52 | 58.5 Ų | 58.5 | 43% | 0.43 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -22.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | T719 P759 | T719-A721 PolarHBondContact O-N 3.35Å; A721-P759 HydrophobicContact CB-CB 4.04Å; A721-P759 HydrophobicContact CB-CG 3.95Å |
| 722 | L | 80.9 | Confident | 82.3 | Confident | 8 Ų | 8 | 62 Ų | 62 | 4% | 0.042 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -94 | 99.3 | 176.8 | -176.6 | 63.1 | 0 | 0 | 0 | 109.5 | I711 I718 T719 N720 L724 L760 F765 | I711-L722 HydrophobicContact CD1-CD2 3.86Å; I718-L722 HydrophobicContact CG1-CD2 4.46Å; I718-L722 HydrophobicContact CG2-CD2 4.37Å; T719-L722 PolarHBondContact O-N 3.34Å; N720-L722 VanDerWaalsContact C-N 3.3Å; L722-L724 HydrophobicContact CD2-CD2 3.8Å; L722-L724 HydrophobicContact CD2-CG 4.45Å; L722-L724 HydrophobicContact CG-CD2 4.08Å; L722-L724 HydrophobicContact CG-CG 4.4Å; L722-L724 PolarHBondContact O-N 2.85Å; L722-L724 VanDerWaalsContact O-N 3.1Å; L722-L760 WeakPolarHBondContact CB-O 3.07Å; L722-L760 HydrophobicContact CD2-CB 4.4Å; L722-F765 HydrophobicContact CD1-CD2 4.1Å; L722-F765 HydrophobicContact CD1-CE2 3.77Å; L722-F765 HydrophobicContact CD2-CE2 4.38Å |
| 723 | D | 84.3 | Confident | 82.3 | Confident | 68 Ų | 68 | 57 Ų | 57 | 36% | 0.364 | 32% | 0.316 | S | S | . | . | trans | -79 | 93.8 | 171.5 | -176 | 9.4 | 0 | 0 | 0 | 111.1 | T725 S726 L727 | D723-T725 PolarHBondContact O-N 3.33Å; D723-T725 WeakPolarHBondContact OD1-CB 3.3Å; D723-T725 PolarHBondContact OD1-N 3.14Å; D723-T725 PolarHBondContact OD1-OG1 2.78Å; D723-T725 PolarHBondContact OD2-OG1 2.75Å; D723-S726 PolarHBondContact O-N 3.41Å; D723-S726 PolarHBondContact OD1-N 3.38Å; D723-S726 WeakPolarHBondContact OD2-CB 3.37Å; D723-S726 PolarHBondContact OD2-N 3.29Å; D723-S726 PolarHBondContact OD2-OG 3.36Å; D723-L727 PolarHBondContact O-N 3.31Å; D723-L727 VanDerWaalsContact O-N 3.15Å | ||
| 724 | L | 85.8 | Confident | 82.7 | Confident | 12 Ų | 12 | 51.5 Ų | 51.5 | 6% | 0.063 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.2 | -29.1 | 175.5 | -67.1 | 172.9 | 0 | 0 | 0 | 112.5 | Y704 W707 E708 I711 I718 L722 T728 | Y704-L724 HydrophobicContact CD2-CB 4.09Å; Y704-L724 HydrophobicContact CE2-CB 3.66Å; Y704-L724 HydrophobicContact CE2-CD1 4.21Å; W707-L724 HydrophobicContact CB-CD2 4.12Å; E708-L724 HydrophobicContact CB-CD1 4.27Å; E708-L724 HydrophobicContact CG-CD1 4.36Å; I711-L724 HydrophobicContact CD1-CD2 4.34Å; I718-L724 HydrophobicContact CD1-CD1 4.16Å; I718-L724 HydrophobicContact CG2-CD1 3.94Å; I718-L724 HydrophobicContact CG2-CG 4.41Å; L722-L724 HydrophobicContact CD2-CD2 3.8Å; L722-L724 HydrophobicContact CD2-CG 4.45Å; L722-L724 HydrophobicContact CG-CD2 4.08Å; L722-L724 HydrophobicContact CG-CG 4.4Å; L722-L724 PolarHBondContact O-N 2.85Å; L722-L724 VanDerWaalsContact O-N 3.1Å; L724-T728 WeakPolarHBondContact O-CB 3.47Å; L724-T728 WeakPolarHBondContact O-CG2 3.24Å; L724-T728 PolarHBondContact O-N 3.48Å; L724-T728 PolarHBondContact O-OG1 3.37Å |
| 725 | T | 87.5 | Confident | 83.1 | Confident | 58 Ų | 58 | 48.8 Ų | 48.8 | 36% | 0.356 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -72.8 | -40.2 | -177.4 | 69.1 | 0 | 0 | 0 | 0 | 111.4 | Y704 D723 T728 K729 | Y704-T725 HydrophobicContact CE2-CG2 4.15Å; D723-T725 PolarHBondContact O-N 3.33Å; D723-T725 WeakPolarHBondContact OD1-CB 3.3Å; D723-T725 PolarHBondContact OD1-N 3.14Å; D723-T725 PolarHBondContact OD1-OG1 2.78Å; D723-T725 PolarHBondContact OD2-OG1 2.75Å; T725-T728 WeakPolarHBondContact CA-OG1 3.43Å; T725-T728 PolarHBondContact O-OG1 3.35Å; T725-K729 WeakPolarHBondContact O-CG 3.22Å; T725-K729 PolarHBondContact O-N 2.7Å |
| 726 | S | 86.1 | Confident | 83.9 | Confident | 55 Ų | 55 | 47.6 Ų | 47.6 | 39% | 0.385 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -67.5 | -43.9 | 172.3 | -67.7 | 0 | 0 | 0 | 0 | 111.3 | D723 T728 K729 V730 | D723-S726 PolarHBondContact O-N 3.41Å; D723-S726 PolarHBondContact OD1-N 3.38Å; D723-S726 WeakPolarHBondContact OD2-CB 3.37Å; D723-S726 PolarHBondContact OD2-N 3.29Å; D723-S726 PolarHBondContact OD2-OG 3.36Å; S726-T728 VanDerWaalsContact C-N 3.3Å; S726-T728 PolarHBondContact O-N 3.22Å; S726-K729 PolarHBondContact O-N 3Å; S726-V730 WeakPolarHBondContact O-CG2 3.18Å; S726-V730 PolarHBondContact O-N 2.96Å |
| 727 | L | 87.6 | Confident | 84.4 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.1 | -40.4 | 177.8 | -176.7 | 62.4 | 0 | 0 | 0 | 112.2 | W707 D723 V730 T731 F765 I766 L769 | W707-L727 HydrophobicContact CD2-CD2 3.67Å; W707-L727 HydrophobicContact CD2-CG 4.26Å; W707-L727 HydrophobicContact CE3-CD2 3.85Å; W707-L727 HydrophobicContact CG-CD2 4.09Å; W707-L727 HydrophobicContact CH2-CD2 4.41Å; W707-L727 HydrophobicContact CZ2-CD1 4.44Å; W707-L727 HydrophobicContact CZ2-CD2 4.27Å; W707-L727 HydrophobicContact CZ2-CG 4.33Å; W707-L727 HydrophobicContact CZ3-CD2 4.17Å; D723-L727 PolarHBondContact O-N 3.31Å; D723-L727 VanDerWaalsContact O-N 3.15Å; L727-V730 PolarHBondContact O-N 3.32Å; L727-T731 HydrophobicContact CD1-CG2 4.08Å; L727-T731 HydrophobicContact CG-CG2 4.38Å; L727-T731 VanDerWaalsContact O-CB 3.3Å; L727-T731 WeakPolarHBondContact O-CB 3.13Å; L727-T731 WeakPolarHBondContact O-CG2 3.36Å; L727-T731 PolarHBondContact O-N 3.37Å; L727-T731 PolarHBondContact O-OG1 2.88Å; L727-F765 HydrophobicContact CD1-CB 3.89Å; L727-F765 HydrophobicContact CD2-CB 4.36Å; L727-F765 HydrophobicContact CD2-CD2 4.1Å; L727-F765 HydrophobicContact CD2-CG 4.29Å; L727-I766 HydrophobicContact CD1-CG1 4.34Å; L727-L769 HydrophobicContact CD1-CD1 4.41Å |
| 728 | T | 89.9 | Confident | 85 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -70.6 | -29.4 | 179.5 | 47.9 | 0 | 0 | 0 | 0 | 114.1 | Y700 R703 Y704 L724 T725 S726 T731 | Y700-T728 WeakPolarHBondContact CE2-OG1 3.18Å; R703-T728 HydrophobicContact CB-CG2 4.32Å; R703-T728 PolarHBondContact NE-O 3.03Å; R703-T728 VanDerWaalsContact NE-O 3.14Å; R703-T728 PolarHBondContact NH2-O 2.96Å; Y704-T728 HydrophobicContact CD2-CG2 4.15Å; Y704-T728 HydrophobicContact CG-CG2 4.45Å; L724-T728 WeakPolarHBondContact O-CB 3.47Å; L724-T728 WeakPolarHBondContact O-CG2 3.24Å; L724-T728 PolarHBondContact O-N 3.48Å; L724-T728 PolarHBondContact O-OG1 3.37Å; T725-T728 WeakPolarHBondContact CA-OG1 3.43Å; T725-T728 PolarHBondContact O-OG1 3.35Å; S726-T728 VanDerWaalsContact C-N 3.3Å; S726-T728 PolarHBondContact O-N 3.22Å; T728-T731 VanDerWaalsContact CA-OG1 3.28Å; T728-T731 WeakPolarHBondContact CA-OG1 3.44Å; T728-T731 PolarHBondContact O-OG1 3.35Å |
| 729 | K | 88.5 | Confident | 85.7 | Confident | 136 Ų | 136 | 43.3 Ų | 43.3 | 59% | 0.591 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -71 | -46.9 | 171.2 | -72.1 | 176.2 | -177.2 | 173.7 | 0 | 111.6 | Y700 T725 S726 T731 D732 | Y700-K729 HydrophobicContact CD2-CG 4.43Å; Y700-K729 HydrophobicContact CE2-CG 3.73Å; T725-K729 WeakPolarHBondContact O-CG 3.22Å; T725-K729 PolarHBondContact O-N 2.7Å; S726-K729 PolarHBondContact O-N 3Å; K729-T731 VanDerWaalsContact C-N 3.26Å; K729-T731 PolarHBondContact O-N 3.3Å; K729-D732 PolarHBondContact O-N 2.89Å |
| 730 | V | 88.1 | Confident | 86.3 | Confident | 84 Ų | 84 | 43 Ų | 43 | 51% | 0.509 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -68.1 | -29.5 | -179.2 | 176.4 | 0 | 0 | 0 | 0 | 111.6 | S726 L727 D732 I766 | S726-V730 WeakPolarHBondContact O-CG2 3.18Å; S726-V730 PolarHBondContact O-N 2.96Å; L727-V730 PolarHBondContact O-N 3.32Å; V730-D732 PolarHBondContact O-N 3.26Å; V730-I766 HydrophobicContact CG1-CG1 4.37Å |
| 731 | T | 87.6 | Confident | 87 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | 20.2 | 178.3 | 52.1 | 0 | 0 | 0 | 0 | 114.2 | R703 W707 L727 T728 K729 G733 Y734 L769 | R703-T731 WeakPolarHBondContact CD-O 3.45Å; W707-T731 HydrophobicContact CZ2-CG2 3.63Å; W707-T731 PolarHBondContact NE1-OG1 3.2Å; L727-T731 HydrophobicContact CD1-CG2 4.08Å; L727-T731 HydrophobicContact CG-CG2 4.38Å; L727-T731 VanDerWaalsContact O-CB 3.3Å; L727-T731 WeakPolarHBondContact O-CB 3.13Å; L727-T731 WeakPolarHBondContact O-CG2 3.36Å; L727-T731 PolarHBondContact O-N 3.37Å; L727-T731 PolarHBondContact O-OG1 2.88Å; T728-T731 VanDerWaalsContact CA-OG1 3.28Å; T728-T731 WeakPolarHBondContact CA-OG1 3.44Å; T728-T731 PolarHBondContact O-OG1 3.35Å; K729-T731 VanDerWaalsContact C-N 3.26Å; K729-T731 PolarHBondContact O-N 3.3Å; T731-G733 PolarHBondContact O-N 3.08Å; T731-Y734 PolarHBondContact O-N 2.96Å; T731-L769 HydrophobicContact CG2-CD1 3.37Å; T731-L769 HydrophobicContact CG2-CD2 4.44Å |
| 732 | D | 87.6 | Confident | 87.7 | Confident | 75 Ų | 75 | 37 Ų | 37 | 40% | 0.401 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | 129.9 | 173.1 | -160 | 45.4 | 0 | 0 | 0 | 111.3 | R697 R703 K729 V730 | R697-D732 IonicContact CZ-OD1 3.71Å; R697-D732 IonicContact CZ-OD2 3.93Å; R697-D732 IonicContact NH1-OD1 3.31Å; R697-D732 PolarHBondContact NH1-OD1 3.19Å; R697-D732 IonicContact NH1-OD2 2.95Å; R697-D732 IonicContact NH2-OD1 3.44Å; R697-D732 IonicContact NH2-OD2 2.71Å; R697-D732 PolarHBondContact NH2-OD2 3.4Å; R703-D732 IonicContact CZ-OD1 2.73Å; R703-D732 IonicContact NH1-OD1 2.69Å; R703-D732 PolarHBondContact NH1-OD1 3.35Å; R703-D732 IonicContact NH2-OD1 3.3Å; R703-D732 PolarHBondContact NH2-OD1 3.47Å; K729-D732 PolarHBondContact O-N 2.89Å; V730-D732 PolarHBondContact O-N 3.26Å |
| 733 | G | 85.2 | Confident | 88.1 | Confident | 7 Ų | 7 | 36.6 Ų | 36.6 | 7% | 0.072 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.2 | -11.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | T731 V775 | T731-G733 PolarHBondContact O-N 3.08Å; G733-V775 PolarHBondContact O-N 2.93Å |
| 734 | Y | 89.3 | Confident | 88.2 | Confident | 33 Ų | 33 | 36.3 Ų | 36.3 | 13% | 0.129 | 21% | 0.206 | C | C | . | . | trans | -83.3 | 151.1 | 175.9 | -66.6 | -87.7 | 0 | 0 | 0 | 112.5 | T731 L769 F772 P774 | T731-Y734 PolarHBondContact O-N 2.96Å; Y734-L769 HydrophobicContact CD1-CD2 3.88Å; Y734-L769 HydrophobicContact CE1-CB 4.33Å; Y734-L769 HydrophobicContact CE1-CD2 4.12Å; Y734-L769 WeakPolarHBondContact CE1-O 3.4Å; Y734-L769 HydrophobicContact CG-CD2 4.08Å; Y734-F772 HydrophobicContact CE1-CB 4.28Å; Y734-P774 HydrophobicContact CE1-CB 4.34Å; Y734-P774 HydrophobicContact CE2-CB 4.41Å | ||
| 735 | T | 89.4 | Confident | 88.2 | Confident | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.018 | 23% | 0.226 | C | C | . | . | trans | -96.6 | 153.6 | -179.3 | 64.8 | 0 | 0 | 0 | 0 | 111.9 | A570 V572 G737 Q738 M739 V775 | A570-T735 WeakPolarHBondContact O-CG2 3.43Å; V572-T735 HydrophobicContact CG1-CG2 4.19Å; T735-G737 PolarHBondContact O-N 3.37Å; T735-Q738 WeakPolarHBondContact O-CB 3.35Å; T735-Q738 PolarHBondContact O-N 2.96Å; T735-Q738 WeakPolarHBondContact OG1-CG 3.3Å; T735-Q738 PolarHBondContact OG1-OE1 2.91Å; T735-Q738 VanDerWaalsContact OG1-OE1 3.14Å; T735-M739 WeakPolarHBondContact O-CG 3.16Å; T735-M739 PolarHBondContact O-N 3.33Å; T735-V775 HydrophobicContact CG2-CG2 3.59Å | ||
| 736 | P | 89.1 | Confident | 88.2 | Confident | 18 Ų | 18 | 37 Ų | 37 | 12% | 0.117 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -55.4 | -35.6 | 178.2 | -25.6 | 34.2 | 0 | 0 | 0 | 113.2 | P698 L706 M739 V740 | P698-P736 HydrophobicContact CB-CG 4.47Å; P698-P736 HydrophobicContact CG-CG 4.02Å; L706-P736 HydrophobicContact CD1-CB 4.13Å; L706-P736 HydrophobicContact CD1-CG 3.85Å; L706-P736 HydrophobicContact CD2-CB 4.39Å; P736-M739 WeakPolarHBondContact O-CB 3.41Å; P736-M739 PolarHBondContact O-N 2.96Å; P736-V740 VanDerWaalsContact O-CG2 3.31Å; P736-V740 WeakPolarHBondContact O-CG2 3.28Å; P736-V740 PolarHBondContact O-N 3.47Å |
| 737 | G | 87.8 | Confident | 88.1 | Confident | 26 Ų | 26 | 34.8 Ų | 34.8 | 27% | 0.268 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.3 | -42.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | G571 T735 V740 Q741 | G571-G737 WeakPolarHBondContact O-CA 3.39Å; G571-G737 PolarHBondContact O-N 3.3Å; T735-G737 PolarHBondContact O-N 3.37Å; G737-V740 PolarHBondContact O-N 3.12Å; G737-Q741 WeakPolarHBondContact O-CG 3.4Å; G737-Q741 PolarHBondContact O-N 2.64Å; G737-Q741 VanDerWaalsContact O-N 3.1Å |
| 738 | Q | 89.9 | Confident | 87.9 | Confident | 30 Ų | 30 | 37.6 Ų | 37.6 | 14% | 0.14 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.1 | -41.4 | 174.2 | -69.5 | 164.6 | -32.4 | 0 | 0 | 110.8 | T735 V740 Q741 V742 F772 E773 | T735-Q738 WeakPolarHBondContact O-CB 3.35Å; T735-Q738 PolarHBondContact O-N 2.96Å; T735-Q738 WeakPolarHBondContact OG1-CG 3.3Å; T735-Q738 PolarHBondContact OG1-OE1 2.91Å; T735-Q738 VanDerWaalsContact OG1-OE1 3.14Å; Q738-V740 PolarHBondContact O-N 3.2Å; Q738-Q741 PolarHBondContact O-N 3.31Å; Q738-V742 WeakPolarHBondContact O-CG2 3.15Å; Q738-V742 PolarHBondContact O-N 3.27Å; Q738-F772 HydrophobicContact CB-CG 4.49Å; Q738-F772 HydrophobicContact CG-CB 4.25Å; Q738-F772 HydrophobicContact CG-CD1 4.15Å; Q738-F772 HydrophobicContact CG-CG 4.22Å; Q738-E773 PolarHBondContact NE2-O 2.88Å |
| 739 | M | 89.8 | Confident | 87.3 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.1 | -46 | 175.8 | -60.3 | 163.6 | 81 | 0 | 0 | 111.1 | R703 L706 W707 T735 P736 Q741 V742 I743 | R703-M739 HydrophobicContact CB-CE 4.36Å; L706-M739 HydrophobicContact CB-CE 3.85Å; L706-M739 HydrophobicContact CD1-SD 4.3Å; W707-M739 HydrophobicContact CD2-CE 3.79Å; W707-M739 VanDerWaalsContact CE2-CE 3.45Å; W707-M739 HydrophobicContact CG-CE 3.66Å; W707-M739 HydrophobicContact CH2-CB 4.46Å; W707-M739 HydrophobicContact CZ2-CB 4.29Å; W707-M739 HydrophobicContact CZ2-CE 4.13Å; W707-M739 HydrophobicContact CZ2-CG 4.02Å; T735-M739 WeakPolarHBondContact O-CG 3.16Å; T735-M739 PolarHBondContact O-N 3.33Å; P736-M739 WeakPolarHBondContact O-CB 3.41Å; P736-M739 PolarHBondContact O-N 2.96Å; M739-Q741 VanDerWaalsContact C-N 3.34Å; M739-Q741 PolarHBondContact O-N 3.33Å; M739-V742 PolarHBondContact O-N 3.09Å; M739-I743 WeakPolarHBondContact O-CG1 3.2Å; M739-I743 PolarHBondContact O-N 3.35Å |
| 740 | V | 89.8 | Confident | 86.8 | Confident | 58 Ų | 58 | 45 Ų | 45 | 35% | 0.352 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.2 | -43 | 177 | 170.8 | 0 | 0 | 0 | 0 | 111.6 | L710 P736 G737 Q738 I743 S744 | L710-V740 HydrophobicContact CD1-CG2 3.7Å; L710-V740 HydrophobicContact CD2-CG2 4.04Å; L710-V740 HydrophobicContact CG-CG2 4.5Å; P736-V740 VanDerWaalsContact O-CG2 3.31Å; P736-V740 WeakPolarHBondContact O-CG2 3.28Å; P736-V740 PolarHBondContact O-N 3.47Å; G737-V740 PolarHBondContact O-N 3.12Å; Q738-V740 PolarHBondContact O-N 3.2Å; V740-I743 PolarHBondContact O-N 3.5Å; V740-S744 WeakPolarHBondContact O-CB 3.05Å; V740-S744 PolarHBondContact O-N 3.13Å; V740-S744 PolarHBondContact O-OG 2.81Å |
| 741 | Q | 88.6 | Confident | 86.3 | Confident | 104 Ų | 104 | 43.6 Ų | 43.6 | 49% | 0.486 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.5 | -45.8 | 177.4 | -75 | 177.6 | -24.3 | 0 | 0 | 111.5 | G737 Q738 M739 S744 S745 F772 | G737-Q741 WeakPolarHBondContact O-CG 3.4Å; G737-Q741 PolarHBondContact O-N 2.64Å; G737-Q741 VanDerWaalsContact O-N 3.1Å; Q738-Q741 PolarHBondContact O-N 3.31Å; M739-Q741 VanDerWaalsContact C-N 3.34Å; M739-Q741 PolarHBondContact O-N 3.33Å; Q741-S744 WeakPolarHBondContact CA-OG 3.29Å; Q741-S744 PolarHBondContact O-N 3.47Å; Q741-S744 PolarHBondContact O-OG 3.35Å; Q741-S745 PolarHBondContact O-N 3.25Å; Q741-F772 HydrophobicContact CB-CZ 4.09Å |
| 742 | V | 90 | Very high | 85.9 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.5 | -48.6 | 176.5 | 167.5 | 0 | 0 | 0 | 0 | 111.2 | W707 Q738 M739 S744 S745 V746 F765 P768 L769 F772 | W707-V742 HydrophobicContact CH2-CG1 4.22Å; Q738-V742 WeakPolarHBondContact O-CG2 3.15Å; Q738-V742 PolarHBondContact O-N 3.27Å; M739-V742 PolarHBondContact O-N 3.09Å; V742-S744 VanDerWaalsContact C-N 3.29Å; V742-S744 PolarHBondContact O-N 3.32Å; V742-S745 PolarHBondContact O-N 2.66Å; V742-S745 PolarHBondContact O-OG 3.21Å; V742-V746 HydrophobicContact CG1-CG2 4.27Å; V742-V746 WeakPolarHBondContact O-CG2 3.3Å; V742-V746 PolarHBondContact O-N 3.48Å; V742-F765 HydrophobicContact CG1-CB 4.38Å; V742-F765 HydrophobicContact CG1-CD1 4.09Å; V742-P768 HydrophobicContact CG1-CB 4Å; V742-P768 HydrophobicContact CG2-CB 4.14Å; V742-L769 HydrophobicContact CB-CD2 4.45Å; V742-L769 HydrophobicContact CG1-CG 4.19Å; V742-L769 HydrophobicContact CG2-CD2 3.82Å; V742-L769 HydrophobicContact CG2-CG 3.96Å; V742-F772 HydrophobicContact CG2-CD2 3.94Å; V742-F772 HydrophobicContact CG2-CE2 3.62Å |
| 743 | I | 88.1 | Confident | 85.4 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59 | -43.8 | 179 | -64.4 | 165.2 | 0 | 0 | 0 | 110.1 | W707 L710 I711 Q714 M739 V740 S745 V746 V747 F765 | W707-I743 HydrophobicContact CE3-CD1 3.67Å; W707-I743 HydrophobicContact CE3-CG1 3.82Å; W707-I743 HydrophobicContact CH2-CG1 4.23Å; W707-I743 HydrophobicContact CZ3-CD1 3.67Å; W707-I743 HydrophobicContact CZ3-CG1 3.32Å; L710-I743 HydrophobicContact CB-CD1 3.47Å; L710-I743 VanDerWaalsContact CB-CD1 3.47Å; L710-I743 HydrophobicContact CD1-CD1 4.06Å; L710-I743 HydrophobicContact CG-CD1 4.43Å; I711-I743 HydrophobicContact CG1-CD1 4.18Å; I711-I743 HydrophobicContact CG1-CG1 4.29Å; I711-I743 HydrophobicContact CG1-CG2 4.32Å; Q714-I743 HydrophobicContact CB-CG2 4.35Å; Q714-I743 HydrophobicContact CG-CG2 4.14Å; Q714-I743 PolarHBondContact OE1-O 3.41Å; M739-I743 WeakPolarHBondContact O-CG1 3.2Å; M739-I743 PolarHBondContact O-N 3.35Å; V740-I743 PolarHBondContact O-N 3.5Å; I743-S745 VanDerWaalsContact C-N 3.25Å; I743-S745 PolarHBondContact O-N 3.17Å; I743-V746 PolarHBondContact O-N 3.19Å; I743-V747 HydrophobicContact CG2-CB 4.35Å; I743-V747 HydrophobicContact CG2-CG2 3.92Å; I743-V747 WeakPolarHBondContact O-CB 3.41Å; I743-V747 PolarHBondContact O-N 2.77Å; I743-F765 HydrophobicContact CG1-CE1 4.37Å |
| 744 | S | 86.9 | Confident | 85.1 | Confident | 63 Ų | 63 | 50.4 Ų | 50.4 | 44% | 0.441 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.2 | -27.6 | 177.2 | 68.4 | 0 | 0 | 0 | 0 | 114.4 | Q714 V740 Q741 V742 | Q714-S744 VanDerWaalsContact OE1-CA 3.28Å; V740-S744 WeakPolarHBondContact O-CB 3.05Å; V740-S744 PolarHBondContact O-N 3.13Å; V740-S744 PolarHBondContact O-OG 2.81Å; Q741-S744 WeakPolarHBondContact CA-OG 3.29Å; Q741-S744 PolarHBondContact O-N 3.47Å; Q741-S744 PolarHBondContact O-OG 3.35Å; V742-S744 VanDerWaalsContact C-N 3.29Å; V742-S744 PolarHBondContact O-N 3.32Å |
| 745 | S | 86.5 | Confident | 84.5 | Confident | 67 Ų | 67 | 49.8 Ų | 49.8 | 47% | 0.469 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -79.8 | -30.5 | 175.7 | 73.1 | 0 | 0 | 0 | 0 | 113.2 | Q741 V742 I743 | Q741-S745 PolarHBondContact O-N 3.25Å; V742-S745 PolarHBondContact O-N 2.66Å; V742-S745 PolarHBondContact O-OG 3.21Å; I743-S745 VanDerWaalsContact C-N 3.25Å; I743-S745 PolarHBondContact O-N 3.17Å |
| 746 | V | 85.8 | Confident | 83.7 | Confident | 17 Ų | 17 | 54.4 Ų | 54.4 | 10% | 0.103 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -89.7 | -47.9 | -177.3 | 175.8 | 0 | 0 | 0 | 0 | 111.1 | V742 I743 T748 R751 L760 D764 F765 P768 | V742-V746 HydrophobicContact CG1-CG2 4.27Å; V742-V746 WeakPolarHBondContact O-CG2 3.3Å; V742-V746 PolarHBondContact O-N 3.48Å; I743-V746 PolarHBondContact O-N 3.19Å; V746-T748 VanDerWaalsContact C-N 3.26Å; V746-T748 PolarHBondContact O-N 3.25Å; V746-R751 WeakPolarHBondContact O-CB 3.29Å; V746-R751 VanDerWaalsContact O-CG 3.31Å; V746-R751 WeakPolarHBondContact O-CG 3.43Å; V746-L760 HydrophobicContact CG1-CD2 4.34Å; V746-D764 HydrophobicContact CG1-CB 4.05Å; V746-D764 WeakPolarHBondContact CG2-O 3.46Å; V746-F765 HydrophobicContact CB-CD1 4.18Å; V746-F765 HydrophobicContact CB-CE1 3.94Å; V746-F765 HydrophobicContact CG1-CD1 4.16Å; V746-F765 HydrophobicContact CG1-CE1 3.76Å; V746-F765 HydrophobicContact CG1-CZ 4.07Å; V746-F765 HydrophobicContact CG2-CD1 4.05Å; V746-F765 HydrophobicContact CG2-CE1 4.33Å; V746-P768 HydrophobicContact CG2-CG 3.86Å |
| 747 | V | 83.8 | Confident | 83.1 | Confident | 9 Ų | 9 | 61.3 Ų | 61.3 | 6% | 0.055 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -88.4 | 65.5 | -176.5 | -170.4 | 0 | 0 | 0 | 0 | 109.3 | Q714 I743 I752 F765 | Q714-V747 HydrophobicContact CB-CB 4.4Å; Q714-V747 HydrophobicContact CB-CG1 4.06Å; I743-V747 HydrophobicContact CG2-CB 4.35Å; I743-V747 HydrophobicContact CG2-CG2 3.92Å; I743-V747 WeakPolarHBondContact O-CB 3.41Å; I743-V747 PolarHBondContact O-N 2.77Å; V747-I752 HydrophobicContact CG1-CD1 4.07Å; V747-I752 HydrophobicContact CG1-CG1 3.82Å; V747-F765 HydrophobicContact CG2-CE1 4.4Å |
| 748 | T | 84.2 | Confident | 82.6 | Confident | 60 Ų | 60 | 65.7 Ų | 65.7 | 37% | 0.368 | 34% | 0.341 | S | S | . | . | trans | -80.8 | 162.7 | 172.6 | 60.7 | 0 | 0 | 0 | 0 | 111.2 | V746 D750 R751 I752 | V746-T748 VanDerWaalsContact C-N 3.26Å; V746-T748 PolarHBondContact O-N 3.25Å; T748-D750 PolarHBondContact O-N 2.7Å; T748-R751 WeakPolarHBondContact O-CB 3.49Å; T748-R751 PolarHBondContact O-N 2.6Å; T748-R751 PolarHBondContact OG1-N 3.1Å; T748-I752 VanDerWaalsContact O-CG1 3.31Å; T748-I752 WeakPolarHBondContact O-CG1 3.4Å; T748-I752 PolarHBondContact O-N 3.25Å | ||
| 749 | K | 77.2 | Confident | 82.2 | Confident | 175 Ų | 175 | 66.6 Ų | 66.6 | 76% | 0.761 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -54.5 | -39.4 | 177.8 | -66.6 | -178.9 | -179.2 | 176.6 | 0 | 112.4 | I752 N753 | K749-I752 PolarHBondContact O-N 2.67Å; K749-N753 PolarHBondContact O-N 3.3Å; K749-N753 PolarHBondContact O-ND2 3.48Å |
| 750 | D | 77.6 | Confident | 81.9 | Confident | 117 Ų | 117 | 66.6 Ų | 66.6 | 63% | 0.626 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -67.9 | -43.8 | 177.5 | -56.2 | -33.5 | 0 | 0 | 0 | 110.9 | T748 I752 N753 D754 | T748-D750 PolarHBondContact O-N 2.7Å; D750-I752 VanDerWaalsContact C-N 3.29Å; D750-I752 PolarHBondContact O-N 3.01Å; D750-N753 WeakPolarHBondContact O-CB 3.38Å; D750-N753 PolarHBondContact O-N 3.17Å; D750-N753 VanDerWaalsContact O-N 3.15Å; D750-D754 PolarHBondContact O-N 3.3Å |
| 751 | R | 78.1 | Confident | 81.6 | Confident | 54 Ų | 54 | 66.1 Ų | 66.1 | 20% | 0.204 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.2 | -41 | 175.2 | -171.2 | 66.8 | 171.7 | 150.7 | -2 | 111.6 | V746 T748 N753 D754 L755 L760 D764 | V746-R751 WeakPolarHBondContact O-CB 3.29Å; V746-R751 VanDerWaalsContact O-CG 3.31Å; V746-R751 WeakPolarHBondContact O-CG 3.43Å; T748-R751 WeakPolarHBondContact O-CB 3.49Å; T748-R751 PolarHBondContact O-N 2.6Å; T748-R751 PolarHBondContact OG1-N 3.1Å; R751-N753 VanDerWaalsContact C-N 3.28Å; R751-N753 PolarHBondContact O-N 3.45Å; R751-D754 CarbonylContact O-C 3.55Å; R751-D754 PolarHBondContact O-N 3.33Å; R751-D754 VanDerWaalsContact O-N 3.11Å; R751-L755 WeakPolarHBondContact O-CG 3.46Å; R751-L755 PolarHBondContact O-N 3.41Å; R751-L760 HydrophobicContact CG-CD2 4.42Å; R751-D764 IonicContact CZ-OD2 3.58Å; R751-D764 IonicContact NH2-OD1 3.98Å; R751-D764 IonicContact NH2-OD2 2.67Å; R751-D764 PolarHBondContact NH2-OD2 2.95Å |
| 752 | I | 80.1 | Confident | 81.4 | Confident | 50 Ų | 50 | 62 Ų | 62 | 26% | 0.256 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -58.4 | -40.3 | 178.3 | -67.4 | 166.4 | 0 | 0 | 0 | 111.4 | Q714 V747 T748 K749 D750 D754 L755 | Q714-I752 WeakPolarHBondContact O-CD1 3.15Å; V747-I752 HydrophobicContact CG1-CD1 4.07Å; V747-I752 HydrophobicContact CG1-CG1 3.82Å; T748-I752 VanDerWaalsContact O-CG1 3.31Å; T748-I752 WeakPolarHBondContact O-CG1 3.4Å; T748-I752 PolarHBondContact O-N 3.25Å; K749-I752 PolarHBondContact O-N 2.67Å; D750-I752 VanDerWaalsContact C-N 3.29Å; D750-I752 PolarHBondContact O-N 3.01Å; I752-D754 VanDerWaalsContact C-N 3.34Å; I752-L755 HydrophobicContact CB-CD1 4.47Å; I752-L755 HydrophobicContact CG2-CD1 4.46Å; I752-L755 WeakPolarHBondContact O-CB 2.84Å; I752-L755 WeakPolarHBondContact O-CG 3.16Å; I752-L755 PolarHBondContact O-N 3.23Å |
| 753 | N | 76.7 | Confident | 81 | Confident | 100 Ų | 100 | 67.3 Ų | 67.3 | 54% | 0.535 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67.2 | -37.3 | 177.2 | -67.9 | -30.6 | 0 | 0 | 0 | 111.7 | K749 D750 R751 T756 | K749-N753 PolarHBondContact O-N 3.3Å; K749-N753 PolarHBondContact O-ND2 3.48Å; D750-N753 WeakPolarHBondContact O-CB 3.38Å; D750-N753 PolarHBondContact O-N 3.17Å; D750-N753 VanDerWaalsContact O-N 3.15Å; R751-N753 VanDerWaalsContact C-N 3.28Å; R751-N753 PolarHBondContact O-N 3.45Å; N753-T756 PolarHBondContact O-OG1 3.37Å |
| 754 | D | 79.1 | Confident | 80.9 | Confident | 75 Ų | 75 | 69.7 Ų | 69.7 | 40% | 0.401 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -80.9 | -8.6 | -179.9 | -75.7 | -25.8 | 0 | 0 | 0 | 114.9 | D750 R751 I752 T756 K757 H758 | D750-D754 PolarHBondContact O-N 3.3Å; R751-D754 CarbonylContact O-C 3.55Å; R751-D754 PolarHBondContact O-N 3.33Å; R751-D754 VanDerWaalsContact O-N 3.11Å; I752-D754 VanDerWaalsContact C-N 3.34Å; D754-T756 PolarHBondContact O-N 2.92Å; D754-K757 PolarHBondContact O-N 3.31Å; D754-H758 PolarHBondContact O-N 2.98Å |
| 755 | L | 75.8 | Confident | 80.9 | Confident | 20 Ų | 20 | 66.7 Ų | 66.7 | 11% | 0.105 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -26.1 | 179 | -71.5 | 179.3 | 0 | 0 | 0 | 114.2 | K717 R751 I752 K757 H758 L760 | K717-L755 HydrophobicContact CB-CD1 4.5Å; R751-L755 WeakPolarHBondContact O-CG 3.46Å; R751-L755 PolarHBondContact O-N 3.41Å; I752-L755 HydrophobicContact CB-CD1 4.47Å; I752-L755 HydrophobicContact CG2-CD1 4.46Å; I752-L755 WeakPolarHBondContact O-CB 2.84Å; I752-L755 WeakPolarHBondContact O-CG 3.16Å; I752-L755 PolarHBondContact O-N 3.23Å; L755-K757 VanDerWaalsContact C-N 3.33Å; L755-H758 WeakPolarHBondContact CA-O 3.27Å; L755-L760 HydrophobicContact CD2-CD1 4.02Å; L755-L760 HydrophobicContact CD2-CD2 3.74Å; L755-L760 HydrophobicContact CD2-CG 3.49Å; L755-L760 VanDerWaalsContact CD2-CG 3.49Å |
| 756 | T | 72.4 | Confident | 80.9 | Confident | 100 Ų | 100 | 66.4 Ų | 66.4 | 61% | 0.613 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -28.2 | 176 | 17.2 | 0 | 0 | 0 | 0 | 113.9 | K245 N753 D754 | K245-T756 PolarHBondContact NZ-OG1 3.44Å; N753-T756 PolarHBondContact O-OG1 3.37Å; D754-T756 PolarHBondContact O-N 2.92Å |
| 757 | K | 76.1 | Confident | 80.9 | Confident | 163 Ų | 163 | 70.9 Ų | 70.9 | 71% | 0.709 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | -39.1 | -179 | -65.4 | 177.9 | -178.5 | 172.9 | 0 | 111.2 | D754 L755 | D754-K757 PolarHBondContact O-N 3.31Å; L755-K757 VanDerWaalsContact C-N 3.33Å |
| 758 | H | 78.6 | Confident | 81.1 | Confident | 117 Ų | 117 | 71.6 Ų | 71.6 | 54% | 0.542 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -124.8 | 97 | -179.8 | -65.8 | -65.6 | 0 | 0 | 0 | 109.3 | D754 L755 | D754-H758 PolarHBondContact O-N 2.98Å; L755-H758 WeakPolarHBondContact CA-O 3.27Å |
| 759 | P | 81.1 | Confident | 81.2 | Confident | 50 Ų | 50 | 68.9 Ų | 68.9 | 33% | 0.325 | 36% | 0.359 | S | S | . | . | trans | -64.2 | 154.4 | 176.1 | 28.7 | -34 | 0 | 0 | 0 | 110.2 | T719 A721 T761 | T719-P759 WeakPolarHBondContact OG1-CB 3.18Å; A721-P759 HydrophobicContact CB-CB 4.04Å; A721-P759 HydrophobicContact CB-CG 3.95Å; P759-T761 PolarHBondContact O-N 2.98Å | ||
| 760 | L | 83.4 | Confident | 81.5 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 35% | 0.353 | C | S | . | . | trans | -63.4 | 132.3 | 174.7 | -65 | 168.8 | 0 | 0 | 0 | 109.7 | I711 L722 V746 R751 L755 F765 | I711-L760 HydrophobicContact CG2-CD1 4.1Å; L722-L760 WeakPolarHBondContact CB-O 3.07Å; L722-L760 HydrophobicContact CD2-CB 4.4Å; V746-L760 HydrophobicContact CG1-CD2 4.34Å; R751-L760 HydrophobicContact CG-CD2 4.42Å; L755-L760 HydrophobicContact CD2-CD1 4.02Å; L755-L760 HydrophobicContact CD2-CD2 3.74Å; L755-L760 HydrophobicContact CD2-CG 3.49Å; L755-L760 VanDerWaalsContact CD2-CG 3.49Å; L760-F765 HydrophobicContact CB-CE2 4.29Å; L760-F765 HydrophobicContact CD1-CZ 4.31Å; L760-F765 HydrophobicContact CD2-CZ 4.29Å | ||
| 761 | T | 84.5 | Confident | 81.9 | Confident | 47 Ų | 47 | 66.2 Ų | 66.2 | 29% | 0.288 | 36% | 0.359 | S | S | . | . | trans | -114.7 | 163.4 | 172.6 | 58.6 | 0 | 0 | 0 | 0 | 110 | P759 D763 D764 F765 | P759-T761 PolarHBondContact O-N 2.98Å; T761-D763 VanDerWaalsContact C-N 3.27Å; T761-D763 PolarHBondContact O-N 3.15Å; T761-D764 PolarHBondContact N-OD2 3.27Å; T761-D764 PolarHBondContact O-N 2.97Å; T761-F765 VanDerWaalsContact O-CD2 3.31Å; T761-F765 WeakPolarHBondContact O-CD2 3.18Å | ||
| 762 | A | 82.4 | Confident | 82.2 | Confident | 18 Ų | 18 | 66.7 Ų | 66.7 | 15% | 0.149 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -64.4 | -33.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | D764 F765 I766 | A762-D764 VanDerWaalsContact C-N 3.27Å; A762-D764 PolarHBondContact O-N 2.71Å; A762-F765 PolarHBondContact O-N 2.89Å; A762-I766 HydrophobicContact CB-CD1 4.46Å; A762-I766 WeakPolarHBondContact O-CG1 3.41Å; A762-I766 PolarHBondContact O-N 2.93Å |
| 763 | D | 83.6 | Confident | 82.2 | Confident | 112 Ų | 112 | 72.6 Ų | 72.6 | 60% | 0.599 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -61.6 | -34.2 | -178.4 | -59.3 | -38 | 0 | 0 | 0 | 112.9 | T761 F765 I766 V767 | T761-D763 VanDerWaalsContact C-N 3.27Å; T761-D763 PolarHBondContact O-N 3.15Å; D763-F765 PolarHBondContact O-N 3.15Å; D763-F765 VanDerWaalsContact O-N 3.16Å; D763-I766 PolarHBondContact O-N 3.33Å; D763-V767 PolarHBondContact O-N 2.86Å |
| 764 | D | 84.9 | Confident | 82.6 | Confident | 50 Ų | 50 | 70.4 Ų | 70.4 | 27% | 0.267 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -56.9 | -31.1 | 176.1 | -70.5 | -20.3 | 0 | 0 | 0 | 111.9 | V746 R751 T761 A762 P768 | V746-D764 HydrophobicContact CG1-CB 4.05Å; V746-D764 WeakPolarHBondContact CG2-O 3.46Å; R751-D764 IonicContact CZ-OD2 3.58Å; R751-D764 IonicContact NH2-OD1 3.98Å; R751-D764 IonicContact NH2-OD2 2.67Å; R751-D764 PolarHBondContact NH2-OD2 2.95Å; T761-D764 PolarHBondContact N-OD2 3.27Å; T761-D764 PolarHBondContact O-N 2.97Å; A762-D764 VanDerWaalsContact C-N 3.27Å; A762-D764 PolarHBondContact O-N 2.71Å; D764-P768 WeakPolarHBondContact O-CD 3.16Å; D764-P768 WeakPolarHBondContact O-CG 3.48Å |
| 765 | F | 87.6 | Confident | 82.6 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -92.6 | -31 | -179.5 | -60.3 | -78 | 0 | 0 | 0 | 112.8 | W707 I711 L722 L727 V742 I743 V746 V747 L760 T761 A762 D763 P768 L769 | W707-F765 HydrophobicContact CH2-CB 4.23Å; W707-F765 HydrophobicContact CH2-CD1 4.15Å; W707-F765 HydrophobicContact CH2-CG 4.4Å; W707-F765 HydrophobicContact CZ3-CB 4.42Å; W707-F765 AromaticContact CZ3-CD1 3.65Å; W707-F765 HydrophobicContact CZ3-CD1 3.65Å; W707-F765 HydrophobicContact CZ3-CE1 4.11Å; W707-F765 HydrophobicContact CZ3-CG 4.1Å; I711-F765 HydrophobicContact CD1-CE1 4.4Å; I711-F765 HydrophobicContact CD1-CE2 4.38Å; I711-F765 HydrophobicContact CD1-CZ 3.93Å; I711-F765 HydrophobicContact CG1-CZ 4.39Å; L722-F765 HydrophobicContact CD1-CD2 4.1Å; L722-F765 HydrophobicContact CD1-CE2 3.77Å; L722-F765 HydrophobicContact CD2-CE2 4.38Å; L727-F765 HydrophobicContact CD1-CB 3.89Å; L727-F765 HydrophobicContact CD2-CB 4.36Å; L727-F765 HydrophobicContact CD2-CD2 4.1Å; L727-F765 HydrophobicContact CD2-CG 4.29Å; V742-F765 HydrophobicContact CG1-CB 4.38Å; V742-F765 HydrophobicContact CG1-CD1 4.09Å; I743-F765 HydrophobicContact CG1-CE1 4.37Å; V746-F765 HydrophobicContact CB-CD1 4.18Å; V746-F765 HydrophobicContact CB-CE1 3.94Å; V746-F765 HydrophobicContact CG1-CD1 4.16Å; V746-F765 HydrophobicContact CG1-CE1 3.76Å; V746-F765 HydrophobicContact CG1-CZ 4.07Å; V746-F765 HydrophobicContact CG2-CD1 4.05Å; V746-F765 HydrophobicContact CG2-CE1 4.33Å; V747-F765 HydrophobicContact CG2-CE1 4.4Å; L760-F765 HydrophobicContact CB-CE2 4.29Å; L760-F765 HydrophobicContact CD1-CZ 4.31Å; L760-F765 HydrophobicContact CD2-CZ 4.29Å; T761-F765 VanDerWaalsContact O-CD2 3.31Å; T761-F765 WeakPolarHBondContact O-CD2 3.18Å; A762-F765 PolarHBondContact O-N 2.89Å; D763-F765 PolarHBondContact O-N 3.15Å; D763-F765 VanDerWaalsContact O-N 3.16Å; F765-P768 WeakPolarHBondContact O-CD 3.37Å; F765-L769 WeakPolarHBondContact O-CB 3.26Å; F765-L769 VanDerWaalsContact O-CD1 3.26Å; F765-L769 WeakPolarHBondContact O-CD1 3.39Å; F765-L769 WeakPolarHBondContact O-CG 3.3Å; F765-L769 PolarHBondContact O-N 2.9Å; F765-L769 VanDerWaalsContact O-N 3.14Å |
| 766 | I | 86.3 | Confident | 82.9 | Confident | 61 Ų | 61 | 72 Ų | 72 | 31% | 0.313 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -66.8 | -42 | -176.8 | -66.5 | 166.1 | 0 | 0 | 0 | 111.3 | L727 V730 A762 D763 L769 G770 | L727-I766 HydrophobicContact CD1-CG1 4.34Å; V730-I766 HydrophobicContact CG1-CG1 4.37Å; A762-I766 HydrophobicContact CB-CD1 4.46Å; A762-I766 WeakPolarHBondContact O-CG1 3.41Å; A762-I766 PolarHBondContact O-N 2.93Å; D763-I766 PolarHBondContact O-N 3.33Å; I766-L769 WeakPolarHBondContact O-CB 3.37Å; I766-L769 PolarHBondContact O-N 3.49Å; I766-G770 PolarHBondContact O-N 2.94Å; I766-G770 VanDerWaalsContact O-N 3.11Å |
| 767 | V | 85.7 | Confident | 83.3 | Confident | 111 Ų | 111 | 74 Ų | 74 | 67% | 0.673 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -63.2 | -47.6 | -177.9 | 176.2 | 0 | 0 | 0 | 0 | 112.1 | D763 L769 G770 | D763-V767 PolarHBondContact O-N 2.86Å; V767-L769 VanDerWaalsContact C-N 3.35Å; V767-L769 PolarHBondContact O-N 3.31Å; V767-G770 PolarHBondContact O-N 3.49Å |
| 768 | P | 87 | Confident | 83.6 | Confident | 23 Ų | 23 | 74.3 Ų | 74.3 | 15% | 0.149 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -65.8 | -32.6 | 173.1 | -23.2 | 34.4 | 0 | 0 | 0 | 114 | V742 V746 D764 F765 G770 K771 F772 | V742-P768 HydrophobicContact CG1-CB 4Å; V742-P768 HydrophobicContact CG2-CB 4.14Å; V746-P768 HydrophobicContact CG2-CG 3.86Å; D764-P768 WeakPolarHBondContact O-CD 3.16Å; D764-P768 WeakPolarHBondContact O-CG 3.48Å; F765-P768 WeakPolarHBondContact O-CD 3.37Å; P768-G770 VanDerWaalsContact C-N 3.31Å; P768-G770 PolarHBondContact O-N 3.25Å; P768-K771 WeakPolarHBondContact O-CB 3.37Å; P768-K771 PolarHBondContact O-N 2.87Å; P768-F772 WeakPolarHBondContact O-CD2 3.37Å |
| 769 | L | 86.3 | Confident | 83.8 | Confident | 4 Ų | 4 | 74.1 Ų | 74.1 | 2% | 0.021 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61.7 | -38.8 | 177.1 | -80.5 | 162.9 | 0 | 0 | 0 | 112.1 | W707 L727 T731 Y734 V742 F765 I766 V767 K771 F772 | W707-L769 HydrophobicContact CH2-CD1 4.28Å; W707-L769 HydrophobicContact CZ2-CD1 4.06Å; L727-L769 HydrophobicContact CD1-CD1 4.41Å; T731-L769 HydrophobicContact CG2-CD1 3.37Å; T731-L769 HydrophobicContact CG2-CD2 4.44Å; Y734-L769 HydrophobicContact CD1-CD2 3.88Å; Y734-L769 HydrophobicContact CE1-CB 4.33Å; Y734-L769 HydrophobicContact CE1-CD2 4.12Å; Y734-L769 WeakPolarHBondContact CE1-O 3.4Å; Y734-L769 HydrophobicContact CG-CD2 4.08Å; V742-L769 HydrophobicContact CB-CD2 4.45Å; V742-L769 HydrophobicContact CG1-CG 4.19Å; V742-L769 HydrophobicContact CG2-CD2 3.82Å; V742-L769 HydrophobicContact CG2-CG 3.96Å; F765-L769 WeakPolarHBondContact O-CB 3.26Å; F765-L769 VanDerWaalsContact O-CD1 3.26Å; F765-L769 WeakPolarHBondContact O-CD1 3.39Å; F765-L769 WeakPolarHBondContact O-CG 3.3Å; F765-L769 PolarHBondContact O-N 2.9Å; F765-L769 VanDerWaalsContact O-N 3.14Å; I766-L769 WeakPolarHBondContact O-CB 3.37Å; I766-L769 PolarHBondContact O-N 3.49Å; V767-L769 VanDerWaalsContact C-N 3.35Å; V767-L769 PolarHBondContact O-N 3.31Å; L769-K771 PolarHBondContact O-N 3.13Å; L769-F772 PolarHBondContact O-N 3.41Å |
| 770 | G | 83.4 | Confident | 83.7 | Confident | 61 Ų | 61 | 73.2 Ų | 73.2 | 63% | 0.629 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -11.8 | 179 | 0 | 0 | 0 | 0 | 0 | 115.1 | I766 V767 P768 F772 | I766-G770 PolarHBondContact O-N 2.94Å; I766-G770 VanDerWaalsContact O-N 3.11Å; V767-G770 PolarHBondContact O-N 3.49Å; P768-G770 VanDerWaalsContact C-N 3.31Å; P768-G770 PolarHBondContact O-N 3.25Å; G770-F772 VanDerWaalsContact C-N 3.32Å |
| 771 | K | 86.3 | Confident | 83.7 | Confident | 175 Ų | 175 | 79 Ų | 79 | 76% | 0.761 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -17.5 | 172.8 | -61.8 | -178.7 | -179.7 | 178 | 0 | 113.1 | P768 L769 | P768-K771 WeakPolarHBondContact O-CB 3.37Å; P768-K771 PolarHBondContact O-N 2.87Å; L769-K771 PolarHBondContact O-N 3.13Å |
| 772 | F | 84.8 | Confident | 83.8 | Confident | 64 Ų | 64 | 78.4 Ų | 78.4 | 28% | 0.281 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -102.3 | 140.1 | -177.3 | -64.2 | -79.1 | 0 | 0 | 0 | 110.6 | Y734 Q738 Q741 V742 P768 L769 G770 P774 | Y734-F772 HydrophobicContact CE1-CB 4.28Å; Q738-F772 HydrophobicContact CB-CG 4.49Å; Q738-F772 HydrophobicContact CG-CB 4.25Å; Q738-F772 HydrophobicContact CG-CD1 4.15Å; Q738-F772 HydrophobicContact CG-CG 4.22Å; Q741-F772 HydrophobicContact CB-CZ 4.09Å; V742-F772 HydrophobicContact CG2-CD2 3.94Å; V742-F772 HydrophobicContact CG2-CE2 3.62Å; P768-F772 WeakPolarHBondContact O-CD2 3.37Å; L769-F772 PolarHBondContact O-N 3.41Å; G770-F772 VanDerWaalsContact C-N 3.32Å; F772-P774 WeakPolarHBondContact O-CD 3.43Å |
| 773 | E | 81.2 | Confident | 83.9 | Confident | 174 Ų | 174 | 78.4 Ų | 78.4 | 81% | 0.813 | 41% | 0.408 | S | S | * | . | P | Polyproline II helix | trans | -75.1 | 123.7 | 172.8 | -66.3 | -179.6 | 171.4 | 0 | 0 | 110 | Q738 | Q738-E773 PolarHBondContact NE2-O 2.88Š|
| 774 | P | 83.6 | Confident | 83.9 | Confident | 54 Ų | 54 | 77.1 Ų | 77.1 | 35% | 0.351 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 154.2 | 173.3 | 30.5 | -34 | 0 | 0 | 0 | 110.4 | Y734 F772 L776 | Y734-P774 HydrophobicContact CE1-CB 4.34Å; Y734-P774 HydrophobicContact CE2-CB 4.41Å; F772-P774 WeakPolarHBondContact O-CD 3.43Å; P774-L776 PolarHBondContact O-N 3.46Å; P774-L776 VanDerWaalsContact O-N 3.15Å |
| 775 | V | 80 | Confident | 83.9 | Confident | 23 Ų | 23 | 77.1 Ų | 77.1 | 14% | 0.139 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 116.3 | 174.5 | -178.7 | 0 | 0 | 0 | 0 | 108.7 | P569 G733 T735 E779 | P569-V775 HydrophobicContact CB-CG1 4.31Å; P569-V775 HydrophobicContact CB-CG2 3.98Å; P569-V775 HydrophobicContact CG-CG1 4.49Å; P569-V775 HydrophobicContact CG-CG2 4.32Å; G733-V775 PolarHBondContact O-N 2.93Å; T735-V775 HydrophobicContact CG2-CG2 3.59Å; V775-E779 HydrophobicContact CG1-CB 4.48Å |
| 776 | L | 82.4 | Confident | 83.9 | Confident | 105 Ų | 105 | 77.5 Ų | 77.5 | 55% | 0.55 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -72 | 144.6 | -177.1 | -62.1 | 173.6 | 0 | 0 | 0 | 110.9 | P774 K778 E779 E780 | P774-L776 PolarHBondContact O-N 3.46Å; P774-L776 VanDerWaalsContact O-N 3.15Å; L776-K778 PolarHBondContact O-N 3.38Å; L776-K778 VanDerWaalsContact O-N 3.15Å; L776-E779 HydrophobicContact CB-CG 4.29Å; L776-E779 WeakPolarHBondContact O-CB 3.39Å; L776-E779 PolarHBondContact O-N 3.19Å; L776-E780 PolarHBondContact O-N 3.3Å |
| 777 | Q | 80.2 | Confident | 83.8 | Confident | 143 Ų | 143 | 75.5 Ų | 75.5 | 67% | 0.668 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -55.2 | -35.6 | 177.1 | -70 | 178.3 | -7.2 | 0 | 0 | 112.7 | E779 E780 E781 | Q777-E779 VanDerWaalsContact C-N 3.31Å; Q777-E779 PolarHBondContact O-N 2.93Å; Q777-E780 WeakPolarHBondContact O-CB 3.39Å; Q777-E780 PolarHBondContact O-N 3.36Å; Q777-E780 VanDerWaalsContact O-N 3.16Å; Q777-E781 WeakPolarHBondContact O-CG 3.18Å; Q777-E781 PolarHBondContact O-N 2.91Å |
| 778 | K | 83.1 | Confident | 83.7 | Confident | 169 Ų | 169 | 71.4 Ų | 71.4 | 74% | 0.735 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -60.4 | -38.2 | 176.2 | -66.2 | -178.6 | -179.9 | 176.6 | 0 | 112.8 | L776 E780 A782 | L776-K778 PolarHBondContact O-N 3.38Å; L776-K778 VanDerWaalsContact O-N 3.15Å; K778-E780 VanDerWaalsContact C-N 3.32Å; K778-A782 VanDerWaalsContact O-CB 3.26Å; K778-A782 WeakPolarHBondContact O-CB 3.16Å; K778-A782 PolarHBondContact O-N 2.72Å |
| 779 | E | 81.5 | Confident | 83.6 | Confident | 113 Ų | 113 | 75.5 Ų | 75.5 | 53% | 0.528 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -68.8 | -36.8 | 177.7 | -63 | -174 | 157.2 | 0 | 0 | 111.1 | V775 L776 Q777 A782 L783 | V775-E779 HydrophobicContact CG1-CB 4.48Å; L776-E779 HydrophobicContact CB-CG 4.29Å; L776-E779 WeakPolarHBondContact O-CB 3.39Å; L776-E779 PolarHBondContact O-N 3.19Å; Q777-E779 VanDerWaalsContact C-N 3.31Å; Q777-E779 PolarHBondContact O-N 2.93Å; E779-A782 PolarHBondContact O-N 3.15Å; E779-L783 WeakPolarHBondContact O-CB 3.39Å; E779-L783 PolarHBondContact O-N 3.29Å |
| 780 | E | 79.8 | Confident | 83.6 | Confident | 30 Ų | 30 | 75.4 Ų | 75.4 | 14% | 0.14 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66.6 | -47.5 | 176.7 | -164.2 | -171.3 | 141.3 | 0 | 0 | 111.7 | R697 L776 Q777 K778 A782 L783 K784 | R697-E780 IonicContact CZ-OE2 2.68Å; R697-E780 IonicContact NE-OE2 3.23Å; R697-E780 PolarHBondContact NE-OE2 3.37Å; L776-E780 PolarHBondContact O-N 3.3Å; Q777-E780 WeakPolarHBondContact O-CB 3.39Å; Q777-E780 PolarHBondContact O-N 3.36Å; Q777-E780 VanDerWaalsContact O-N 3.16Å; K778-E780 VanDerWaalsContact C-N 3.32Å; E780-A782 VanDerWaalsContact C-N 3.32Å; E780-A782 PolarHBondContact O-N 2.92Å; E780-L783 WeakPolarHBondContact O-CB 3.47Å; E780-L783 PolarHBondContact O-N 3Å; E780-L783 VanDerWaalsContact O-N 3.13Å; E780-K784 WeakPolarHBondContact O-CG 3.49Å; E780-K784 PolarHBondContact O-N 3.21Å; E780-K784 WeakPolarHBondContact OE1-CE 3.48Å; E780-K784 IonicContact OE1-NZ 3.04Å; E780-K784 PolarHBondContact OE1-NZ 3.42Å |
| 781 | E | 83.8 | Confident | 83.5 | Confident | 122 Ų | 122 | 75.8 Ų | 75.8 | 57% | 0.57 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -61.4 | -41.6 | 175 | -73 | 177.6 | 177.6 | 0 | 0 | 111.9 | Q777 L783 K784 S785 | Q777-E781 WeakPolarHBondContact O-CG 3.18Å; Q777-E781 PolarHBondContact O-N 2.91Å; E781-L783 VanDerWaalsContact C-N 3.29Å; E781-L783 PolarHBondContact O-N 3.09Å; E781-K784 PolarHBondContact O-N 3.04Å; E781-S785 WeakPolarHBondContact O-CB 3.5Å; E781-S785 PolarHBondContact O-N 3.3Å |
| 782 | A | 85.4 | Confident | 83.3 | Confident | 35 Ų | 35 | 69 Ų | 69 | 29% | 0.289 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -57.7 | -47.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q678 K778 E779 E780 K784 S785 W786 | Q678-A782 VanDerWaalsContact NE2-CB 3.29Å; Q678-A782 PolarHBondContact NE2-O 2.72Å; K778-A782 VanDerWaalsContact O-CB 3.26Å; K778-A782 WeakPolarHBondContact O-CB 3.16Å; K778-A782 PolarHBondContact O-N 2.72Å; E779-A782 PolarHBondContact O-N 3.15Å; E780-A782 VanDerWaalsContact C-N 3.32Å; E780-A782 PolarHBondContact O-N 2.92Å; A782-K784 PolarHBondContact O-N 2.96Å; A782-S785 PolarHBondContact O-N 3.46Å; A782-S785 PolarHBondContact O-OG 3.2Å; A782-W786 WeakPolarHBondContact O-CB 3.42Å; A782-W786 PolarHBondContact O-N 3.08Å |
| 783 | L | 84.2 | Confident | 83 | Confident | 18 Ų | 18 | 66.1 Ų | 66.1 | 9% | 0.094 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 179.4 | -168.3 | 63.4 | 0 | 0 | 0 | 112.7 | V567 P677 L694 E779 E780 E781 W786 Y787 | V567-L783 HydrophobicContact CG1-CD1 3.72Å; P677-L783 HydrophobicContact CG-CD1 3.56Å; L694-L783 HydrophobicContact CD1-CD1 4.29Å; L694-L783 HydrophobicContact CD1-CD2 3.49Å; L694-L783 VanDerWaalsContact CD1-CD2 3.49Å; L694-L783 HydrophobicContact CD1-CG 3.66Å; E779-L783 WeakPolarHBondContact O-CB 3.39Å; E779-L783 PolarHBondContact O-N 3.29Å; E780-L783 WeakPolarHBondContact O-CB 3.47Å; E780-L783 PolarHBondContact O-N 3Å; E780-L783 VanDerWaalsContact O-N 3.13Å; E781-L783 VanDerWaalsContact C-N 3.29Å; E781-L783 PolarHBondContact O-N 3.09Å; L783-W786 WeakPolarHBondContact O-CB 3.39Å; L783-W786 PolarHBondContact O-N 2.83Å; L783-Y787 WeakPolarHBondContact O-CB 3.48Å; L783-Y787 PolarHBondContact O-N 3.34Å |
| 784 | K | 83.9 | Confident | 83.1 | Confident | 84 Ų | 84 | 63.4 Ų | 63.4 | 37% | 0.365 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.1 | -48.3 | 172.8 | -73.3 | 170.4 | 178.3 | 165.4 | 0 | 111.3 | M531 E780 E781 A782 W786 Y787 A788 | M531-K784 HydrophobicContact CE-CG 4.31Å; M531-K784 HydrophobicContact SD-CD 4.08Å; M531-K784 WeakPolarHBondContact SD-CE 3.41Å; M531-K784 HydrophobicContact SD-CG 3.88Å; E780-K784 WeakPolarHBondContact O-CG 3.49Å; E780-K784 PolarHBondContact O-N 3.21Å; E780-K784 WeakPolarHBondContact OE1-CE 3.48Å; E780-K784 IonicContact OE1-NZ 3.04Å; E780-K784 PolarHBondContact OE1-NZ 3.42Å; E781-K784 PolarHBondContact O-N 3.04Å; A782-K784 PolarHBondContact O-N 2.96Å; K784-W786 PolarHBondContact O-N 2.76Å; K784-Y787 PolarHBondContact O-N 3.07Å; K784-A788 WeakPolarHBondContact O-CB 3.31Å; K784-A788 PolarHBondContact O-N 3.46Å |
| 785 | S | 85.8 | Confident | 83 | Confident | 51 Ų | 51 | 67.7 Ų | 67.7 | 36% | 0.357 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.3 | -33.1 | 178.3 | 83.5 | 0 | 0 | 0 | 0 | 112.2 | E781 A782 K789 | E781-S785 WeakPolarHBondContact O-CB 3.5Å; E781-S785 PolarHBondContact O-N 3.3Å; A782-S785 PolarHBondContact O-N 3.46Å; A782-S785 PolarHBondContact O-OG 3.2Å; S785-K789 WeakPolarHBondContact O-CD 3.5Å; S785-K789 WeakPolarHBondContact O-CG 3.43Å |
| 786 | W | 86.8 | Confident | 83 | Confident | 7 Ų | 7 | 69.4 Ų | 69.4 | 3% | 0.027 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -72.1 | -45.3 | 175.5 | 179 | 94.3 | 0 | 0 | 0 | 111.1 | L565 V567 P677 L682 M685 I692 A782 L783 K784 A788 K789 T790 | L565-W786 HydrophobicContact CD2-CH2 4.48Å; V567-W786 HydrophobicContact CB-CZ3 4.47Å; V567-W786 HydrophobicContact CG1-CE3 4.39Å; V567-W786 HydrophobicContact CG1-CZ3 3.94Å; V567-W786 HydrophobicContact CG2-CH2 4.11Å; V567-W786 HydrophobicContact CG2-CZ3 3.96Å; P677-W786 HydrophobicContact CB-CD2 3.77Å; P677-W786 VanDerWaalsContact CB-CE2 3.46Å; P677-W786 HydrophobicContact CB-CE3 4.07Å; P677-W786 HydrophobicContact CB-CG 4.4Å; P677-W786 HydrophobicContact CB-CH2 3.88Å; P677-W786 HydrophobicContact CB-CZ2 3.54Å; P677-W786 HydrophobicContact CB-CZ3 4.12Å; P677-W786 HydrophobicContact CG-CD2 3.71Å; P677-W786 HydrophobicContact CG-CE3 3.82Å; P677-W786 HydrophobicContact CG-CG 4.13Å; P677-W786 HydrophobicContact CG-CH2 4.47Å; P677-W786 HydrophobicContact CG-CZ2 4.36Å; P677-W786 HydrophobicContact CG-CZ3 4.21Å; P677-W786 PolarHBondContact O-NE1 3.34Å; L682-W786 HydrophobicContact CD1-CH2 4.35Å; L682-W786 HydrophobicContact CD1-CZ2 3.47Å; L682-W786 VanDerWaalsContact CD1-CZ2 3.47Å; M685-W786 HydrophobicContact CE-CH2 4.3Å; M685-W786 HydrophobicContact CE-CZ2 3.79Å; I692-W786 HydrophobicContact CG2-CH2 4.13Å; I692-W786 HydrophobicContact CG2-CZ3 4.13Å; A782-W786 WeakPolarHBondContact O-CB 3.42Å; A782-W786 PolarHBondContact O-N 3.08Å; L783-W786 WeakPolarHBondContact O-CB 3.39Å; L783-W786 PolarHBondContact O-N 2.83Å; K784-W786 PolarHBondContact O-N 2.76Å; W786-A788 VanDerWaalsContact C-N 3.29Å; W786-A788 PolarHBondContact O-N 3.05Å; W786-K789 WeakPolarHBondContact O-CB 3.41Å; W786-K789 PolarHBondContact O-N 3.43Å; W786-T790 HydrophobicContact CE3-CG2 4.47Å; W786-T790 HydrophobicContact CH2-CG2 4.23Å; W786-T790 HydrophobicContact CZ3-CG2 4.08Å |
| 787 | Y | 85.1 | Confident | 82.9 | Confident | 19 Ų | 19 | 69 Ų | 69 | 8% | 0.075 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.4 | -38.9 | 178.1 | -172.1 | -105.9 | 0 | 0 | 0 | 111.6 | I692 L694 L783 K784 K789 T790 | I692-Y787 HydrophobicContact CG2-CE2 4.37Å; L694-Y787 HydrophobicContact CB-CD2 4.02Å; L694-Y787 HydrophobicContact CB-CE2 3.98Å; L694-Y787 HydrophobicContact CD2-CD1 4.31Å; L694-Y787 HydrophobicContact CD2-CD2 4.41Å; L694-Y787 HydrophobicContact CD2-CG 4.1Å; L783-Y787 WeakPolarHBondContact O-CB 3.48Å; L783-Y787 PolarHBondContact O-N 3.34Å; K784-Y787 PolarHBondContact O-N 3.07Å; Y787-K789 PolarHBondContact O-N 2.95Å; Y787-T790 HydrophobicContact CD2-CG2 4.35Å; Y787-T790 VanDerWaalsContact O-CB 3.3Å; Y787-T790 WeakPolarHBondContact O-CB 3.36Å; Y787-T790 VanDerWaalsContact O-CG2 3.26Å; Y787-T790 WeakPolarHBondContact O-CG2 3.15Å; Y787-T790 PolarHBondContact O-N 3.48Å; Y787-T790 VanDerWaalsContact O-N 3.09Å; Y787-T790 PolarHBondContact O-OG1 3.08Å |
| 788 | A | 83.8 | Confident | 82.9 | Confident | 26 Ų | 26 | 68.8 Ų | 68.8 | 22% | 0.215 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60 | -26.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | K784 W786 G793 K794 I797 | K784-A788 WeakPolarHBondContact O-CB 3.31Å; K784-A788 PolarHBondContact O-N 3.46Å; W786-A788 VanDerWaalsContact C-N 3.29Å; W786-A788 PolarHBondContact O-N 3.05Å; A788-G793 CarbonylContact O-C 3.5Å; A788-G793 WeakPolarHBondContact O-CA 3.5Å; A788-K794 PolarHBondContact O-N 3.26Å; A788-I797 HydrophobicContact CB-CD1 4.27Å |
| 789 | K | 85.2 | Confident | 82.6 | Confident | 109 Ų | 109 | 61.3 Ų | 61.3 | 47% | 0.474 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -9 | 178.5 | -66.7 | 165.5 | -173.8 | 168.3 | 0 | 113.5 | L682 S785 W786 Y787 K794 | L682-K789 HydrophobicContact CD2-CB 3.59Å; L682-K789 WeakPolarHBondContact CD2-O 3.41Å; S785-K789 WeakPolarHBondContact O-CD 3.5Å; S785-K789 WeakPolarHBondContact O-CG 3.43Å; W786-K789 WeakPolarHBondContact O-CB 3.41Å; W786-K789 PolarHBondContact O-N 3.43Å; Y787-K789 PolarHBondContact O-N 2.95Å; K789-K794 WeakPolarHBondContact O-CD 3.26Å; K789-K794 WeakPolarHBondContact O-CE 3.39Å |
| 790 | T | 84.8 | Confident | 82.3 | Confident | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.012 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -63.9 | 162.8 | 176.7 | 65.4 | 0 | 0 | 0 | 0 | 111.4 | L682 I692 W786 Y787 L792 G793 K794 | L682-T790 HydrophobicContact CD1-CG2 4.39Å; I692-T790 HydrophobicContact CD1-CG2 4.01Å; W786-T790 HydrophobicContact CE3-CG2 4.47Å; W786-T790 HydrophobicContact CH2-CG2 4.23Å; W786-T790 HydrophobicContact CZ3-CG2 4.08Å; Y787-T790 HydrophobicContact CD2-CG2 4.35Å; Y787-T790 VanDerWaalsContact O-CB 3.3Å; Y787-T790 WeakPolarHBondContact O-CB 3.36Å; Y787-T790 VanDerWaalsContact O-CG2 3.26Å; Y787-T790 WeakPolarHBondContact O-CG2 3.15Å; Y787-T790 PolarHBondContact O-N 3.48Å; Y787-T790 VanDerWaalsContact O-N 3.09Å; Y787-T790 PolarHBondContact O-OG1 3.08Å; T790-L792 VanDerWaalsContact C-N 3.28Å; T790-L792 PolarHBondContact O-N 3.42Å; T790-G793 PolarHBondContact O-N 3.38Å; T790-G793 PolarHBondContact OG1-N 3.07Å; T790-K794 WeakPolarHBondContact O-CB 3.48Å; T790-K794 WeakPolarHBondContact O-CG 3.5Å; T790-K794 PolarHBondContact O-N 2.85Å |
| 791 | P | 82.1 | Confident | 82.1 | Confident | 69 Ų | 69 | 58.9 Ų | 58.9 | 45% | 0.448 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -54.7 | -41.4 | 178.1 | -27.4 | 35.4 | 0 | 0 | 0 | 113.5 | C686 R795 | C686-P791 HydrophobicContact CB-CG 3.92Å; C686-P791 VanDerWaalsContact SG-CD 3.55Å; P791-R795 WeakPolarHBondContact O-CG 3.42Å; P791-R795 PolarHBondContact O-N 3.37Å |
| 792 | L | 81.6 | Confident | 81.6 | Confident | 33 Ų | 33 | 58.5 Ų | 58.5 | 17% | 0.173 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.2 | -49.6 | 175.2 | -75.4 | 165.6 | 0 | 0 | 0 | 111.2 | V92 E98 T790 K794 R795 R796 | V92-L792 HydrophobicContact CG1-CD2 4.35Å; E98-L792 HydrophobicContact CG-CD1 4.11Å; E98-L792 WeakPolarHBondContact OE1-CD1 3.5Å; T790-L792 VanDerWaalsContact C-N 3.28Å; T790-L792 PolarHBondContact O-N 3.42Å; L792-K794 VanDerWaalsContact C-N 3.29Å; L792-K794 PolarHBondContact O-N 2.93Å; L792-R795 PolarHBondContact O-N 3.16Å; L792-R795 VanDerWaalsContact O-N 3.15Å; L792-R796 WeakPolarHBondContact O-CB 3.35Å; L792-R796 PolarHBondContact O-N 3.38Å |
| 793 | G | 79.6 | Confident | 80.9 | Confident | 2 Ų | 2 | 62.9 Ų | 62.9 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.3 | -40.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A788 T790 R796 I797 | A788-G793 CarbonylContact O-C 3.5Å; A788-G793 WeakPolarHBondContact O-CA 3.5Å; T790-G793 PolarHBondContact O-N 3.38Å; T790-G793 PolarHBondContact OG1-N 3.07Å; G793-R796 WeakPolarHBondContact O-CB 3.5Å; G793-R796 PolarHBondContact O-N 2.97Å; G793-I797 VanDerWaalsContact O-CG1 3.31Å; G793-I797 WeakPolarHBondContact O-CG1 3.39Å; G793-I797 PolarHBondContact O-N 2.84Å |
| 794 | K | 82.8 | Confident | 80.2 | Confident | 118 Ų | 118 | 68.4 Ų | 68.4 | 51% | 0.513 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.6 | -42.6 | 175.7 | -76.6 | 178.3 | 173.4 | 176.3 | 0 | 113 | A788 K789 T790 L792 R796 I797 K798 | A788-K794 PolarHBondContact O-N 3.26Å; K789-K794 WeakPolarHBondContact O-CD 3.26Å; K789-K794 WeakPolarHBondContact O-CE 3.39Å; T790-K794 WeakPolarHBondContact O-CB 3.48Å; T790-K794 WeakPolarHBondContact O-CG 3.5Å; T790-K794 PolarHBondContact O-N 2.85Å; L792-K794 VanDerWaalsContact C-N 3.29Å; L792-K794 PolarHBondContact O-N 2.93Å; K794-R796 VanDerWaalsContact C-N 3.27Å; K794-I797 PolarHBondContact O-N 3.16Å; K794-K798 WeakPolarHBondContact O-CG 3.46Å; K794-K798 PolarHBondContact O-N 2.78Å; K794-K798 VanDerWaalsContact O-N 3.08Å |
| 795 | R | 82.2 | Confident | 79.5 | Confident | 144 Ų | 144 | 68.7 Ų | 68.7 | 54% | 0.543 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.6 | -41 | 175 | -77.2 | 179.5 | 172.9 | -171.2 | -3.3 | 110.6 | F96 P791 L792 K798 A799 | F96-R795 HydrophobicContact CB-CB 4.37Å; F96-R795 HydrophobicContact CD1-CB 3.66Å; F96-R795 HydrophobicContact CD1-CG 4.43Å; F96-R795 HydrophobicContact CE1-CB 4.03Å; F96-R795 HydrophobicContact CE1-CG 4.49Å; F96-R795 HydrophobicContact CG-CB 3.94Å; P791-R795 WeakPolarHBondContact O-CG 3.42Å; P791-R795 PolarHBondContact O-N 3.37Å; L792-R795 PolarHBondContact O-N 3.16Å; L792-R795 VanDerWaalsContact O-N 3.15Å; R795-K798 PolarHBondContact O-N 3.37Å; R795-A799 WeakPolarHBondContact O-CB 3.48Å; R795-A799 PolarHBondContact O-N 3.48Å |
| 796 | R | 79.3 | Confident | 78.7 | Confident | 59 Ų | 59 | 69 Ų | 69 | 22% | 0.223 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.4 | -48.1 | 176.1 | -168.8 | 176.7 | 67.6 | -177.8 | 6.2 | 113.1 | F96 E529 L792 G793 K794 K798 A799 A800 | F96-R796 HydrophobicContact CB-CB 3.93Å; E529-R796 VanDerWaalsContact CD-NH1 3.31Å; E529-R796 IonicContact OE1-NH1 2.68Å; E529-R796 PolarHBondContact OE1-NH1 2.91Å; L792-R796 WeakPolarHBondContact O-CB 3.35Å; L792-R796 PolarHBondContact O-N 3.38Å; G793-R796 WeakPolarHBondContact O-CB 3.5Å; G793-R796 PolarHBondContact O-N 2.97Å; K794-R796 VanDerWaalsContact C-N 3.27Å; R796-K798 VanDerWaalsContact C-N 3.28Å; R796-K798 PolarHBondContact O-N 3.17Å; R796-A799 PolarHBondContact O-N 3.4Å; R796-A800 WeakPolarHBondContact O-CB 3.33Å; R796-A800 PolarHBondContact O-N 2.93Å |
| 797 | I | 80.4 | Confident | 77.8 | Confident | 95 Ų | 95 | 73.6 Ų | 73.6 | 49% | 0.487 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.1 | -41.3 | 177.9 | -68.3 | 163.4 | 0 | 0 | 0 | 110.7 | A788 G793 K794 A800 A801 | A788-I797 HydrophobicContact CB-CD1 4.27Å; G793-I797 VanDerWaalsContact O-CG1 3.31Å; G793-I797 WeakPolarHBondContact O-CG1 3.39Å; G793-I797 PolarHBondContact O-N 2.84Å; K794-I797 PolarHBondContact O-N 3.16Å; I797-A800 PolarHBondContact O-N 3.08Å; I797-A801 WeakPolarHBondContact O-CB 3.32Å; I797-A801 PolarHBondContact O-N 3.37Å |
| 798 | K | 80.1 | Confident | 77 | Confident | 139 Ų | 139 | 77.4 Ų | 77.4 | 60% | 0.604 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -62 | -47.2 | 174.4 | -72.8 | 179.5 | 175.5 | -162.5 | 0 | 111.9 | K794 R795 R796 A800 A801 E802 | K794-K798 WeakPolarHBondContact O-CG 3.46Å; K794-K798 PolarHBondContact O-N 2.78Å; K794-K798 VanDerWaalsContact O-N 3.08Å; R795-K798 PolarHBondContact O-N 3.37Å; R796-K798 VanDerWaalsContact C-N 3.28Å; R796-K798 PolarHBondContact O-N 3.17Å; K798-A800 VanDerWaalsContact C-N 3.28Å; K798-A800 PolarHBondContact O-N 3.24Å; K798-A801 PolarHBondContact O-N 2.95Å; K798-E802 WeakPolarHBondContact O-CB 3.45Å; K798-E802 WeakPolarHBondContact O-CG 3.42Å; K798-E802 PolarHBondContact O-N 3.17Å |
| 799 | A | 76.3 | Confident | 76.2 | Confident | 13 Ų | 13 | 83.4 Ų | 83.4 | 11% | 0.107 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -62.9 | -34.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | F96 R795 R796 K803 | F96-A799 HydrophobicContact CD2-CB 3.85Å; F96-A799 HydrophobicContact CE2-CB 3.71Å; R795-A799 WeakPolarHBondContact O-CB 3.48Å; R795-A799 PolarHBondContact O-N 3.48Å; R796-A799 PolarHBondContact O-N 3.4Å; A799-K803 VanDerWaalsContact O-CG 3.32Å; A799-K803 WeakPolarHBondContact O-CG 3.34Å; A799-K803 PolarHBondContact O-N 3.43Å; A799-K803 VanDerWaalsContact O-N 3.16Å |
| 800 | A | 75.9 | Confident | 75.3 | Confident | 49 Ų | 49 | 80.7 Ų | 80.7 | 41% | 0.405 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -68.5 | -45.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | R796 I797 K798 E802 K803 E804 | R796-A800 WeakPolarHBondContact O-CB 3.33Å; R796-A800 PolarHBondContact O-N 2.93Å; I797-A800 PolarHBondContact O-N 3.08Å; K798-A800 VanDerWaalsContact C-N 3.28Å; K798-A800 PolarHBondContact O-N 3.24Å; A800-E802 PolarHBondContact O-N 3.01Å; A800-K803 WeakPolarHBondContact O-CB 3.32Å; A800-K803 PolarHBondContact O-N 2.95Å; A800-K803 VanDerWaalsContact O-N 3.17Å; A800-E804 PolarHBondContact O-N 2.92Å |
| 801 | A | 75.3 | Confident | 74.4 | Confident | 42 Ų | 42 | 86.9 Ų | 86.9 | 35% | 0.347 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.7 | -41.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | I797 K798 K803 E804 D805 | I797-A801 WeakPolarHBondContact O-CB 3.32Å; I797-A801 PolarHBondContact O-N 3.37Å; K798-A801 PolarHBondContact O-N 2.95Å; A801-K803 VanDerWaalsContact C-N 3.3Å; A801-K803 PolarHBondContact O-N 3.4Å; A801-E804 PolarHBondContact O-N 3.31Å; A801-D805 PolarHBondContact O-N 3.23Å |
| 802 | E | 74.1 | Confident | 73.5 | Confident | 114 Ų | 114 | 88.3 Ų | 88.3 | 53% | 0.533 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.5 | -36.1 | 175.2 | -73.8 | 168.6 | -166.9 | 0 | 0 | 112.3 | K798 A800 A806 | K798-E802 WeakPolarHBondContact O-CB 3.45Å; K798-E802 WeakPolarHBondContact O-CG 3.42Å; K798-E802 PolarHBondContact O-N 3.17Å; A800-E802 PolarHBondContact O-N 3.01Å; E802-A806 VanDerWaalsContact O-CB 3.32Å; E802-A806 WeakPolarHBondContact O-CB 3.4Å; E802-A806 PolarHBondContact O-N 3.45Å |
| 803 | K | 69.9 | Low | 72.6 | Confident | 127 Ų | 127 | 89.2 Ų | 89.2 | 55% | 0.552 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -66.7 | -43.5 | 174 | -76.6 | 176.1 | -179.6 | -175.3 | 0 | 111.7 | A799 A800 A801 A806 L807 | A799-K803 VanDerWaalsContact O-CG 3.32Å; A799-K803 WeakPolarHBondContact O-CG 3.34Å; A799-K803 PolarHBondContact O-N 3.43Å; A799-K803 VanDerWaalsContact O-N 3.16Å; A800-K803 WeakPolarHBondContact O-CB 3.32Å; A800-K803 PolarHBondContact O-N 2.95Å; A800-K803 VanDerWaalsContact O-N 3.17Å; A801-K803 VanDerWaalsContact C-N 3.3Å; A801-K803 PolarHBondContact O-N 3.4Å; K803-A806 PolarHBondContact O-N 3Å; K803-L807 WeakPolarHBondContact O-CB 3.47Å; K803-L807 PolarHBondContact O-N 2.89Å |
| 804 | E | 69.8 | Low | 71.7 | Confident | 134 Ų | 134 | 96.7 Ų | 96.7 | 63% | 0.626 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.5 | -45.7 | 176.5 | -73 | -173.6 | 164.2 | 0 | 0 | 111.6 | A800 A801 A806 L807 L808 | A800-E804 PolarHBondContact O-N 2.92Å; A801-E804 PolarHBondContact O-N 3.31Å; E804-A806 VanDerWaalsContact C-N 3.32Å; E804-A806 PolarHBondContact O-N 2.91Å; E804-L807 WeakPolarHBondContact O-CB 3.31Å; E804-L807 PolarHBondContact O-N 3.41Å; E804-L808 WeakPolarHBondContact O-CG 3.5Å; E804-L808 PolarHBondContact O-N 3.44Å |
| 805 | D | 68.7 | Low | 70.6 | Confident | 91 Ų | 91 | 95.1 Ų | 95.1 | 49% | 0.487 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.6 | -39.3 | 176.5 | -76.8 | -18.8 | 0 | 0 | 0 | 112.1 | A801 K809 | A801-D805 PolarHBondContact O-N 3.23Å; D805-K809 WeakPolarHBondContact O-CB 3.33Å; D805-K809 VanDerWaalsContact O-CG 3.31Å; D805-K809 WeakPolarHBondContact O-CG 3.47Å; D805-K809 PolarHBondContact O-N 3.17Å |
| 806 | A | 69.7 | Low | 69.4 | Low | 57 Ų | 57 | 96.4 Ų | 96.4 | 47% | 0.471 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.6 | -39.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | E802 K803 E804 K809 A810 | E802-A806 VanDerWaalsContact O-CB 3.32Å; E802-A806 WeakPolarHBondContact O-CB 3.4Å; E802-A806 PolarHBondContact O-N 3.45Å; K803-A806 PolarHBondContact O-N 3Å; E804-A806 VanDerWaalsContact C-N 3.32Å; E804-A806 PolarHBondContact O-N 2.91Å; A806-K809 PolarHBondContact O-N 3.17Å; A806-A810 WeakPolarHBondContact O-CB 3.47Å; A806-A810 PolarHBondContact O-N 2.9Å |
| 807 | L | 68.5 | Low | 68.1 | Low | 104 Ų | 104 | 102.8 Ų | 102.8 | 55% | 0.545 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.5 | -40.1 | 176 | -108.4 | 144.2 | 0 | 0 | 0 | 112.2 | K803 E804 A810 K811 | K803-L807 WeakPolarHBondContact O-CB 3.47Å; K803-L807 PolarHBondContact O-N 2.89Å; E804-L807 WeakPolarHBondContact O-CB 3.31Å; E804-L807 PolarHBondContact O-N 3.41Å; L807-A810 PolarHBondContact O-N 3.05Å; L807-K811 WeakPolarHBondContact O-CB 3.33Å; L807-K811 WeakPolarHBondContact O-CG 3.49Å; L807-K811 PolarHBondContact O-N 2.87Å |
| 808 | L | 67.2 | Low | 66.7 | Low | 98 Ų | 98 | 107.5 Ų | 107.5 | 51% | 0.513 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.2 | -47.7 | 174.3 | -72 | 169.5 | 0 | 0 | 0 | 111 | E804 A810 K811 D812 | E804-L808 WeakPolarHBondContact O-CG 3.5Å; E804-L808 PolarHBondContact O-N 3.44Å; L808-A810 VanDerWaalsContact C-N 3.31Å; L808-A810 PolarHBondContact O-N 3.18Å; L808-K811 PolarHBondContact O-N 3.35Å; L808-D812 WeakPolarHBondContact O-CB 3.49Å; L808-D812 PolarHBondContact O-N 3.01Å |
| 809 | K | 67 | Low | 65 | Low | 152 Ų | 152 | 112.6 Ų | 112.6 | 66% | 0.661 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -60.3 | -37.8 | 175 | -73.2 | 173.8 | -177.7 | 174.6 | 0 | 112.8 | D805 A806 D812 A813 | D805-K809 WeakPolarHBondContact O-CB 3.33Å; D805-K809 VanDerWaalsContact O-CG 3.31Å; D805-K809 WeakPolarHBondContact O-CG 3.47Å; D805-K809 PolarHBondContact O-N 3.17Å; A806-K809 PolarHBondContact O-N 3.17Å; K809-D812 PolarHBondContact O-N 2.92Å; K809-A813 WeakPolarHBondContact O-CB 3.36Å; K809-A813 PolarHBondContact O-N 2.93Å |
| 810 | A | 66.1 | Low | 64.4 | Low | 52 Ų | 52 | 117.6 Ų | 117.6 | 43% | 0.43 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -70.3 | -36.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A806 L807 L808 K814 | A806-A810 WeakPolarHBondContact O-CB 3.47Å; A806-A810 PolarHBondContact O-N 2.9Å; L807-A810 PolarHBondContact O-N 3.05Å; L808-A810 VanDerWaalsContact C-N 3.31Å; L808-A810 PolarHBondContact O-N 3.18Å; A810-K814 WeakPolarHBondContact O-CG 3.45Å; A810-K814 PolarHBondContact O-N 3.48Å |
| 811 | K | 66.3 | Low | 63.8 | Low | 133 Ų | 133 | 121.2 Ų | 121.2 | 58% | 0.578 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65.7 | -43.6 | 172.2 | -77.1 | 177.6 | 179.8 | 177.7 | 0 | 111 | L807 L808 A813 K814 T815 | L807-K811 WeakPolarHBondContact O-CB 3.33Å; L807-K811 WeakPolarHBondContact O-CG 3.49Å; L807-K811 PolarHBondContact O-N 2.87Å; L808-K811 PolarHBondContact O-N 3.35Å; K811-A813 PolarHBondContact O-N 3.43Å; K811-K814 PolarHBondContact O-N 3.12Å; K811-T815 PolarHBondContact O-N 2.9Å; K811-T815 PolarHBondContact O-OG1 3.5Å |
| 812 | D | 62.9 | Low | 63.2 | Low | 98 Ų | 98 | 125.6 Ų | 125.6 | 52% | 0.524 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -65.3 | -36 | 176.5 | -73.2 | -20.2 | 0 | 0 | 0 | 113 | L808 K809 T815 K816 | L808-D812 WeakPolarHBondContact O-CB 3.49Å; L808-D812 PolarHBondContact O-N 3.01Å; K809-D812 PolarHBondContact O-N 2.92Å; D812-T815 VanDerWaalsContact CA-OG1 3.27Å; D812-T815 WeakPolarHBondContact CA-OG1 3.27Å; D812-T815 PolarHBondContact O-OG1 2.94Å; D812-T815 VanDerWaalsContact O-OG1 3.12Å; D812-K816 WeakPolarHBondContact O-CB 3.41Å; D812-K816 WeakPolarHBondContact O-CG 3.38Å; D812-K816 PolarHBondContact O-N 3.39Å |
| 813 | A | 62.2 | Low | 62.5 | Low | 53 Ų | 53 | 126.2 Ų | 126.2 | 44% | 0.438 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -68.6 | -35.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | K809 K811 K817 | K809-A813 WeakPolarHBondContact O-CB 3.36Å; K809-A813 PolarHBondContact O-N 2.93Å; K811-A813 PolarHBondContact O-N 3.43Å; A813-K817 PolarHBondContact O-N 3.32Å; A813-K817 VanDerWaalsContact O-N 3.08Å |
| 814 | K | 60.7 | Low | 62.1 | Low | 159 Ų | 159 | 126.2 Ų | 126.2 | 69% | 0.691 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -72.8 | -34.1 | 175.2 | -79.6 | -178.6 | 178.7 | 178.8 | 0 | 112.8 | A810 K811 K818 | A810-K814 WeakPolarHBondContact O-CG 3.45Å; A810-K814 PolarHBondContact O-N 3.48Å; K811-K814 PolarHBondContact O-N 3.12Å; K814-K818 PolarHBondContact O-N 3.08Å |
| 815 | T | 60.3 | Low | 61.5 | Low | 84 Ų | 84 | 125.7 Ų | 125.7 | 52% | 0.515 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -73 | -34.5 | 172.1 | 32 | 0 | 0 | 0 | 0 | 112.2 | K811 D812 K818 K819 | K811-T815 PolarHBondContact O-N 2.9Å; K811-T815 PolarHBondContact O-OG1 3.5Å; D812-T815 VanDerWaalsContact CA-OG1 3.27Å; D812-T815 WeakPolarHBondContact CA-OG1 3.27Å; D812-T815 PolarHBondContact O-OG1 2.94Å; D812-T815 VanDerWaalsContact O-OG1 3.12Å; T815-K818 PolarHBondContact O-N 2.97Å; T815-K819 PolarHBondContact O-N 3.37Å |
| 816 | K | 56.2 | Low | 61 | Low | 172 Ų | 172 | 128.1 Ų | 128.1 | 75% | 0.748 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -70.7 | -23.4 | 172.2 | -79.1 | -177.5 | 178.8 | 178.3 | 0 | 114.7 | D812 | D812-K816 WeakPolarHBondContact O-CB 3.41Å; D812-K816 WeakPolarHBondContact O-CG 3.38Å; D812-K816 PolarHBondContact O-N 3.39Å |
| 817 | K | 53.3 | Low | 60.4 | Low | 192 Ų | 192 | 133.6 Ų | 133.6 | 84% | 0.835 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -9.1 | 171.8 | -86.1 | -174.9 | 174.2 | -178.5 | 0 | 114 | A813 | A813-K817 PolarHBondContact O-N 3.32Å; A813-K817 VanDerWaalsContact O-N 3.08Å |
| 818 | K | 49.8 | Very low | 59.7 | Low | 195 Ų | 195 | 136.1 Ų | 136.1 | 85% | 0.848 | 65% | 0.654 | S | S | * | * | trans | -104.4 | -6.4 | 178.4 | -84.9 | -171.5 | 173.9 | -173.2 | 0 | 113.8 | K814 T815 | K814-K818 PolarHBondContact O-N 3.08Å; T815-K818 PolarHBondContact O-N 2.97Å | ||
| 819 | K | 44.3 | Very low | 59 | Low | 245 Ų | 245 | 139.5 Ų | 139.5 | 100% | 1.065 | 67% | 0.667 | S | S | * | * | trans | -100.2 | 0 | 162 | -76.9 | -173.8 | 175.4 | -176.1 | 0 | 107.8 | T815 | T815-K819 PolarHBondContact O-N 3.37Š|
Retrieved 819 of 819 residues in 5644.6 ms
(Link to these results)