| 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 | 44.1 | Very low | 63.5 | Low | 43 Ų | 43 | 62.5 Ų | 62.5 | 21% | 0.212 | 34% | 0.339 | C | S | . | . | 0 | 73.1 | 0 | -79.9 | -72.3 | -74.3 | 0 | 0 | 108.3 | E3 Y72 Y629 Y640 | M1-E3 WeakPolarHBondContact O-CA 3.12Å; M1-E3 VanDerWaalsContact O-CB 3.29Å; M1-E3 WeakPolarHBondContact O-CB 3.02Å; M1-E3 WeakPolarHBondContact O-CG 3.41Å; M1-E3 PolarHBondContact O-N 3.01Å; M1-Y72 PolarHBondContact N-O 2.78Å; M1-Y629 HydrophobicContact CE-CE1 4.43Å; M1-Y629 HydrophobicContact CE-CE2 4.05Å; M1-Y629 WeakPolarHBondContact CE-OH 3.4Å; M1-Y629 HydrophobicContact SD-CE2 3.93Å; M1-Y629 PolarHBondContact SD-OH 3.3Å; M1-Y640 WeakPolarHBondContact CE-OH 3.47Å | |||
| 2 | A | 36.4 | Very low | 65.5 | Low | 36 Ų | 36 | 57.7 Ų | 57.7 | 30% | 0.298 | 31% | 0.314 | S | S | . | . | trans | 50 | -5.6 | 180 | 0 | 0 | 0 | 0 | 0 | 119.3 | S12 L16 | A2-S12 WeakPolarHBondContact CA-OG 3.39Å; A2-S12 WeakPolarHBondContact CB-OG 3.32Å; A2-S12 PolarHBondContact O-OG 3.04Å; A2-L16 HydrophobicContact CB-CD1 3.83Å | ||
| 3 | E | 47.1 | Very low | 67.3 | Low | 90 Ų | 90 | 55.3 Ų | 55.3 | 42% | 0.421 | 30% | 0.301 | S | S | . | . | trans | -139.8 | 33.3 | -158.8 | -65.5 | -173.8 | 156.1 | 0 | 0 | 111.7 | M1 E5 | M1-E3 WeakPolarHBondContact O-CA 3.12Å; M1-E3 VanDerWaalsContact O-CB 3.29Å; M1-E3 WeakPolarHBondContact O-CB 3.02Å; M1-E3 WeakPolarHBondContact O-CG 3.41Å; M1-E3 PolarHBondContact O-N 3.01Å; E3-E5 WeakPolarHBondContact CA-O 3.33Å | ||
| 4 | L | 48.4 | Very low | 68.8 | Low | 122 Ų | 122 | 51.4 Ų | 51.4 | 64% | 0.639 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -67.9 | -16.3 | 146.1 | -85.6 | 162.6 | 0 | 0 | 0 | 110 | P75 | L4-P75 HydrophobicContact CB-CG 3.86Å; L4-P75 HydrophobicContact CD1-CG 4.17Å |
| 5 | E | 59.8 | Low | 69.9 | Low | 13 Ų | 13 | 48.1 Ų | 48.1 | 6% | 0.061 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -108.4 | 126.6 | 175.1 | -59.4 | -176.7 | 162.3 | 0 | 0 | 108.8 | E3 F9 R32 R37 P75 | E3-E5 WeakPolarHBondContact CA-O 3.33Å; E5-F9 HydrophobicContact CB-CB 4.21Å; E5-F9 HydrophobicContact CB-CD2 4.06Å; E5-F9 HydrophobicContact CB-CG 4.38Å; E5-R32 IonicContact OE2-CZ 3.7Å; E5-R32 IonicContact OE2-NH1 3.22Å; E5-R32 PolarHBondContact OE2-NH1 3.48Å; E5-R32 IonicContact OE2-NH2 2.94Å; E5-R32 PolarHBondContact OE2-NH2 3.4Å; E5-R37 WeakPolarHBondContact OE1-CD 3.47Å; E5-R37 IonicContact OE1-CZ 2.77Å; E5-R37 IonicContact OE1-NE 3.35Å; E5-R37 PolarHBondContact OE1-NE 3.4Å; E5-R37 IonicContact OE1-NH1 2.77Å; E5-R37 PolarHBondContact OE1-NH1 2.87Å; E5-P75 HydrophobicContact CG-CB 4.4Å; E5-P75 HydrophobicContact CG-CG 4.46Å |
| 6 | G | 61.2 | Low | 70.7 | Confident | 37 Ų | 37 | 47.2 Ų | 47.2 | 38% | 0.381 | 26% | 0.256 | S | S | . | . | trans | -62.2 | 160.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E8 F9 | G6-E8 PolarHBondContact O-N 3.36Å; G6-F9 WeakPolarHBondContact O-CD2 3.4Å; G6-F9 PolarHBondContact O-N 2.68Å | ||
| 7 | L | 69.2 | Low | 71.5 | Confident | 118 Ų | 118 | 44.9 Ų | 44.9 | 62% | 0.618 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -54.2 | -22.5 | 177.1 | -69.5 | 167.9 | 0 | 0 | 0 | 113.4 | F9 G10 | L7-F9 PolarHBondContact O-N 2.86Å; L7-G10 PolarHBondContact O-N 3.29Å; L7-G10 VanDerWaalsContact O-N 3.09Å |
| 8 | E | 77.8 | Confident | 71.9 | Confident | 130 Ų | 130 | 48.4 Ų | 48.4 | 61% | 0.607 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -60.6 | -18.4 | 173.8 | 68.1 | -175.4 | 169.4 | 0 | 0 | 114.6 | G6 | G6-E8 PolarHBondContact O-N 3.36Š|
| 9 | F | 82 | Confident | 72.5 | Confident | 41 Ų | 41 | 52 Ų | 52 | 18% | 0.18 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -97.2 | 4.8 | 177.4 | -61.7 | -76.4 | 0 | 0 | 0 | 112.9 | E5 G6 L7 R32 K35 R37 | E5-F9 HydrophobicContact CB-CB 4.21Å; E5-F9 HydrophobicContact CB-CD2 4.06Å; E5-F9 HydrophobicContact CB-CG 4.38Å; G6-F9 WeakPolarHBondContact O-CD2 3.4Å; G6-F9 PolarHBondContact O-N 2.68Å; L7-F9 PolarHBondContact O-N 2.86Å; F9-R32 WeakPolarHBondContact O-CG 3.09Å; F9-R32 PolarHBondContact O-NH1 2.85Å; F9-K35 HydrophobicContact CD1-CB 3.69Å; F9-K35 HydrophobicContact CD1-CG 4.24Å; F9-K35 HydrophobicContact CE1-CB 4.23Å; F9-R37 HydrophobicContact CB-CG 4.31Å; F9-R37 HydrophobicContact CD1-CG 4.06Å; F9-R37 HydrophobicContact CG-CG 4.48Å |
| 10 | G | 85.3 | Confident | 73.1 | Confident | 11 Ų | 11 | 50.9 Ų | 50.9 | 11% | 0.113 | 27% | 0.272 | C | S | . | . | trans | 73.4 | 172.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L7 N28 R32 | L7-G10 PolarHBondContact O-N 3.29Å; L7-G10 VanDerWaalsContact O-N 3.09Å; G10-N28 WeakPolarHBondContact CA-OD1 3.22Å; G10-R32 PolarHBondContact O-NH1 2.79Å | ||
| 11 | K | 87.2 | Confident | 73.8 | Confident | 46 Ų | 46 | 50.9 Ų | 50.9 | 20% | 0.2 | 27% | 0.274 | C | S | . | . | trans | -75.8 | 127.9 | -176.2 | -63.5 | -174 | 179.4 | 175.1 | 0 | 110.8 | D13 L16 L17 D18 N28 R32 | K11-D13 VanDerWaalsContact C-N 3.28Å; K11-D13 PolarHBondContact O-N 3.4Å; K11-L16 HydrophobicContact CD-CB 4.44Å; K11-L16 WeakPolarHBondContact CD-O 3.47Å; K11-L16 WeakPolarHBondContact CE-O 3.44Å; K11-L16 PolarHBondContact NZ-O 3.4Å; K11-L17 HydrophobicContact CD-CD2 4.35Å; K11-D18 IonicContact NZ-OD1 3.52Å; K11-D18 PolarHBondContact NZ-OD1 3.11Å; K11-D18 IonicContact NZ-OD2 2.7Å; K11-D18 PolarHBondContact NZ-OD2 3.44Å; K11-N28 PolarHBondContact N-OD1 3.18Å; K11-N28 PolarHBondContact O-ND2 3.02Å; K11-R32 VanDerWaalsContact O-CD 3.31Å; K11-R32 WeakPolarHBondContact O-CD 3.48Å | ||
| 12 | S | 87.4 | Confident | 76 | Confident | 5 Ų | 5 | 50.8 Ų | 50.8 | 4% | 0.035 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -74.7 | -15.5 | -176.5 | 81.1 | 0 | 0 | 0 | 0 | 114.3 | A2 T40 Y41 P76 | A2-S12 WeakPolarHBondContact CA-OG 3.39Å; A2-S12 WeakPolarHBondContact CB-OG 3.32Å; A2-S12 PolarHBondContact O-OG 3.04Å; S12-T40 WeakPolarHBondContact O-CG2 3.49Å; S12-Y41 PolarHBondContact O-N 2.85Å; S12-P76 WeakPolarHBondContact O-CG 3.45Å |
| 13 | D | 88.4 | Confident | 78.6 | Confident | 27 Ų | 27 | 55.8 Ų | 55.8 | 14% | 0.144 | 29% | 0.291 | C | S | . | . | B | Isolated β-bridge | trans | -132.5 | 124.3 | 176.3 | -169.6 | -21.1 | 0 | 0 | 0 | 109 | K11 V15 L16 Y41 G43 | K11-D13 VanDerWaalsContact C-N 3.28Å; K11-D13 PolarHBondContact O-N 3.4Å; D13-V15 PolarHBondContact O-N 3.04Å; D13-V15 WeakPolarHBondContact OD1-CB 3.36Å; D13-V15 WeakPolarHBondContact OD1-CG2 3.37Å; D13-V15 PolarHBondContact OD1-N 3.22Å; D13-L16 HydrophobicContact CB-CD1 4.12Å; D13-L16 HydrophobicContact CB-CG 4.18Å; D13-L16 WeakPolarHBondContact O-CB 3.21Å; D13-L16 PolarHBondContact O-N 3.19Å; D13-L16 VanDerWaalsContact O-N 3.07Å; D13-Y41 CarbonylContact C-O 3.54Å; D13-Y41 WeakPolarHBondContact CA-O 3.36Å; D13-G43 PolarHBondContact OD1-N 3.27Å; D13-G43 VanDerWaalsContact OD1-N 3.16Å; D13-G43 PolarHBondContact OD2-N 2.71Å |
| 14 | F | 89.6 | Confident | 80.7 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -66.8 | -21.2 | -179.2 | -71.7 | -69.3 | 0 | 0 | 0 | 113.1 | L16 L17 F25 N28 L29 T40 Y41 I42 V47 V620 | F14-L16 PolarHBondContact O-N 3.24Å; F14-L17 HydrophobicContact CB-CD1 4.34Å; F14-L17 HydrophobicContact CD1-CD1 3.81Å; F14-L17 HydrophobicContact CD1-CG 4.24Å; F14-L17 WeakPolarHBondContact O-CB 3.37Å; F14-L17 VanDerWaalsContact O-CG 3.29Å; F14-L17 WeakPolarHBondContact O-CG 3.28Å; F14-L17 PolarHBondContact O-N 3.31Å; F14-L17 VanDerWaalsContact O-N 3.12Å; F14-F25 HydrophobicContact CB-CD2 4.4Å; F14-F25 HydrophobicContact CB-CE2 3.97Å; F14-F25 AromaticContact CD1-CD2 3.66Å; F14-F25 HydrophobicContact CD1-CD2 3.66Å; F14-F25 HydrophobicContact CD1-CE1 4.46Å; F14-F25 AromaticContact CD1-CE2 3.56Å; F14-F25 HydrophobicContact CD1-CE2 3.56Å; F14-F25 HydrophobicContact CD1-CG 4.17Å; F14-F25 AromaticContact CD1-CZ 3.99Å; F14-F25 HydrophobicContact CD1-CZ 3.99Å; F14-F25 AromaticContact CD2-CE2 3.73Å; F14-F25 HydrophobicContact CD2-CE2 3.73Å; F14-F25 AromaticContact CD2-CZ 3.73Å; F14-F25 HydrophobicContact CD2-CZ 3.73Å; F14-F25 HydrophobicContact CE1-CD1 4.03Å; F14-F25 AromaticContact CE1-CD2 3.95Å; F14-F25 HydrophobicContact CE1-CD2 3.95Å; F14-F25 AromaticContact CE1-CE1 3.91Å; F14-F25 HydrophobicContact CE1-CE1 3.91Å; F14-F25 AromaticContact CE1-CE2 3.85Å; F14-F25 HydrophobicContact CE1-CE2 3.85Å; F14-F25 HydrophobicContact CE1-CG 4.04Å; F14-F25 AromaticContact CE1-CZ 3.82Å; F14-F25 HydrophobicContact CE1-CZ 3.82Å; F14-F25 HydrophobicContact CE2-CE1 4.09Å; F14-F25 HydrophobicContact CE2-CE2 4.01Å; F14-F25 AromaticContact CE2-CZ 3.54Å; F14-F25 HydrophobicContact CE2-CZ 3.54Å; F14-F25 HydrophobicContact CG-CD2 4.02Å; F14-F25 AromaticContact CG-CE2 3.49Å; F14-F25 HydrophobicContact CG-CE2 3.49Å; F14-F25 VanDerWaalsContact CG-CE2 3.49Å; F14-F25 AromaticContact CG-CZ 3.94Å; F14-F25 HydrophobicContact CG-CZ 3.94Å; F14-F25 HydrophobicContact CZ-CD1 4.26Å; F14-F25 AromaticContact CZ-CE1 3.71Å; F14-F25 HydrophobicContact CZ-CE1 3.71Å; F14-F25 HydrophobicContact CZ-CE2 4.07Å; F14-F25 AromaticContact CZ-CZ 3.6Å; F14-F25 HydrophobicContact CZ-CZ 3.6Å; F14-N28 HydrophobicContact CE1-CB 4.14Å; F14-N28 WeakPolarHBondContact CE1-ND2 3.49Å; F14-L29 HydrophobicContact CE1-CB 4.47Å; F14-L29 HydrophobicContact CZ-CB 4.1Å; F14-L29 HydrophobicContact CZ-CD1 3.97Å; F14-T40 HydrophobicContact CD2-CG2 3.6Å; F14-T40 HydrophobicContact CE1-CG2 4.35Å; F14-T40 HydrophobicContact CE2-CG2 3.35Å; F14-T40 HydrophobicContact CG-CG2 4.22Å; F14-T40 HydrophobicContact CZ-CG2 3.76Å; F14-Y41 WeakPolarHBondContact CD2-O 3.5Å; F14-Y41 PolarHBondContact N-O 2.56Å; F14-I42 HydrophobicContact CB-CG1 4.02Å; F14-I42 HydrophobicContact CD2-CD1 4.2Å; F14-I42 HydrophobicContact CD2-CG1 3.59Å; F14-I42 HydrophobicContact CG-CG1 4.24Å; F14-V47 HydrophobicContact CD2-CG2 4.34Å; F14-V47 HydrophobicContact CE2-CB 4.23Å; F14-V47 HydrophobicContact CE2-CG2 4.01Å; F14-V620 HydrophobicContact CB-CG2 3.7Å |
| 15 | V | 85.1 | Confident | 82.8 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.012 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -63.7 | -21.6 | 173.5 | -179.9 | 0 | 0 | 0 | 0 | 111.4 | D13 I42 R623 R624 A628 P685 | D13-V15 PolarHBondContact O-N 3.04Å; D13-V15 WeakPolarHBondContact OD1-CB 3.36Å; D13-V15 WeakPolarHBondContact OD1-CG2 3.37Å; D13-V15 PolarHBondContact OD1-N 3.22Å; V15-I42 HydrophobicContact CG2-CG2 4.2Å; V15-R623 HydrophobicContact CG2-CB 4.15Å; V15-R624 HydrophobicContact CG1-CG 4.04Å; V15-A628 HydrophobicContact CG1-CB 3.64Å; V15-A628 VanDerWaalsContact CG1-O 3.23Å; V15-A628 WeakPolarHBondContact CG1-O 3.5Å; V15-P685 VanDerWaalsContact O-CG 3.25Å; V15-P685 WeakPolarHBondContact O-CG 3.38Å |
| 16 | L | 82.4 | Confident | 84.5 | Confident | 34 Ų | 34 | 48 Ų | 48 | 18% | 0.178 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -90.2 | 2.3 | 178.2 | -55.6 | 177 | 0 | 0 | 0 | 113.9 | A2 K11 D13 F14 P685 L688 | A2-L16 HydrophobicContact CB-CD1 3.83Å; K11-L16 HydrophobicContact CD-CB 4.44Å; K11-L16 WeakPolarHBondContact CD-O 3.47Å; K11-L16 WeakPolarHBondContact CE-O 3.44Å; K11-L16 PolarHBondContact NZ-O 3.4Å; D13-L16 HydrophobicContact CB-CD1 4.12Å; D13-L16 HydrophobicContact CB-CG 4.18Å; D13-L16 WeakPolarHBondContact O-CB 3.21Å; D13-L16 PolarHBondContact O-N 3.19Å; D13-L16 VanDerWaalsContact O-N 3.07Å; F14-L16 PolarHBondContact O-N 3.24Å; L16-P685 HydrophobicContact CB-CB 4.41Å; L16-P685 HydrophobicContact CD2-CB 4.08Å; L16-P685 HydrophobicContact CD2-CG 4.35Å; L16-L688 HydrophobicContact CD2-CD1 4.22Å |
| 17 | L | 83.9 | Confident | 86 | Confident | 8 Ų | 8 | 52 Ų | 52 | 4% | 0.042 | 26% | 0.26 | C | S | . | . | trans | -56.6 | 151.7 | 172.6 | -73.9 | 176.1 | 0 | 0 | 0 | 111.2 | K11 F14 F25 N28 R624 | K11-L17 HydrophobicContact CD-CD2 4.35Å; F14-L17 HydrophobicContact CB-CD1 4.34Å; F14-L17 HydrophobicContact CD1-CD1 3.81Å; F14-L17 HydrophobicContact CD1-CG 4.24Å; F14-L17 WeakPolarHBondContact O-CB 3.37Å; F14-L17 VanDerWaalsContact O-CG 3.29Å; F14-L17 WeakPolarHBondContact O-CG 3.28Å; F14-L17 PolarHBondContact O-N 3.31Å; F14-L17 VanDerWaalsContact O-N 3.12Å; L17-F25 HydrophobicContact CD1-CB 4.4Å; L17-F25 HydrophobicContact CD1-CD2 4.26Å; L17-N28 HydrophobicContact CD2-CB 3.95Å; L17-R624 PolarHBondContact O-NH1 2.72Å; L17-R624 PolarHBondContact O-NH2 3.2Å | ||
| 18 | D | 78.8 | Confident | 87.2 | Confident | 109 Ų | 109 | 47 Ų | 47 | 58% | 0.583 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -72 | -52.3 | -179.7 | -60 | -47.1 | 0 | 0 | 0 | 109 | K11 R624 | K11-D18 IonicContact NZ-OD1 3.52Å; K11-D18 PolarHBondContact NZ-OD1 3.11Å; K11-D18 IonicContact NZ-OD2 2.7Å; K11-D18 PolarHBondContact NZ-OD2 3.44Å; D18-R624 PolarHBondContact O-NH1 3.03Å; D18-R624 VanDerWaalsContact O-NH1 3.11Å; D18-R624 PolarHBondContact O-NH2 3.41Å |
| 19 | E | 82.6 | Confident | 88 | Confident | 116 Ų | 116 | 40.9 Ų | 40.9 | 54% | 0.542 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -117.4 | 145.7 | 173.4 | -51.5 | -178.6 | 162.7 | 0 | 0 | 111 | T21 Q24 | E19-T21 HydrophobicContact CB-CG2 4.25Å; E19-T21 PolarHBondContact O-N 3.28Å; E19-Q24 PolarHBondContact O-OE1 3.5Å; E19-Q24 VanDerWaalsContact O-OE1 3.04Å; E19-Q24 PolarHBondContact OE2-NE2 3.3Å |
| 20 | V | 84.8 | Confident | 88.6 | Confident | 29 Ų | 29 | 41.7 Ų | 41.7 | 18% | 0.176 | 21% | 0.209 | C | C | . | . | trans | -94.9 | 71.4 | 174.9 | -167.4 | 0 | 0 | 0 | 0 | 109 | L617 V620 M621 R624 | V20-L617 HydrophobicContact CG1-CD1 3.51Å; V20-L617 HydrophobicContact CG1-CG 4.14Å; V20-V620 HydrophobicContact CB-CG1 4.47Å; V20-V620 HydrophobicContact CG1-CB 4.03Å; V20-V620 HydrophobicContact CG1-CG1 3.73Å; V20-V620 HydrophobicContact CG2-CG1 3.81Å; V20-M621 HydrophobicContact CB-CG 4.38Å; V20-M621 HydrophobicContact CG1-CE 4.12Å; V20-M621 HydrophobicContact CG1-CG 3.69Å; V20-R624 HydrophobicContact CG2-CG 4.42Å | ||
| 21 | T | 89.2 | Confident | 89 | Confident | 52 Ų | 52 | 44 Ų | 44 | 32% | 0.319 | 22% | 0.218 | S | C | . | . | trans | -111.2 | 153.9 | 171.8 | 65.5 | 0 | 0 | 0 | 0 | 109.9 | E19 E23 Q24 F25 | E19-T21 HydrophobicContact CB-CG2 4.25Å; E19-T21 PolarHBondContact O-N 3.28Å; T21-E23 PolarHBondContact O-N 2.71Å; T21-Q24 PolarHBondContact O-N 2.94Å; T21-Q24 PolarHBondContact OG1-N 3.2Å; T21-F25 WeakPolarHBondContact O-CB 3.45Å; T21-F25 PolarHBondContact O-N 3.21Å; T21-F25 VanDerWaalsContact O-N 3.08Å | ||
| 22 | M | 88.9 | Confident | 89.3 | Confident | 40 Ų | 40 | 41.9 Ų | 41.9 | 20% | 0.197 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.7 | -37.2 | 175.8 | -176.1 | 60.4 | 78.9 | 0 | 0 | 111.3 | F25 M26 Q608 V611 A612 L617 | M22-F25 PolarHBondContact O-N 3.15Å; M22-M26 HydrophobicContact CG-CG 4.4Å; M22-M26 WeakPolarHBondContact O-CB 3.28Å; M22-M26 VanDerWaalsContact O-CG 3.23Å; M22-M26 WeakPolarHBondContact O-CG 3.17Å; M22-M26 PolarHBondContact O-N 3.34Å; M22-M26 HydrophobicContact SD-CG 4.16Å; M22-Q608 HydrophobicContact CE-CG 4.42Å; M22-Q608 HydrophobicContact CG-CG 3.67Å; M22-Q608 HydrophobicContact SD-CG 3.85Å; M22-V611 HydrophobicContact CE-CB 4.46Å; M22-V611 HydrophobicContact CE-CG1 3.96Å; M22-V611 HydrophobicContact SD-CB 4.13Å; M22-V611 HydrophobicContact SD-CG1 3.64Å; M22-A612 HydrophobicContact CE-CB 4.04Å; M22-L617 HydrophobicContact CB-CD2 4.4Å; M22-L617 HydrophobicContact CE-CD2 4.24Å |
| 23 | E | 91.8 | Very high | 89.6 | Confident | 142 Ų | 142 | 42.3 Ų | 42.3 | 66% | 0.664 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -61.8 | -55.1 | 178.9 | -170.6 | 171.8 | -163.3 | 0 | 0 | 112.1 | T21 F25 M26 E27 | T21-E23 PolarHBondContact O-N 2.71Å; E23-F25 VanDerWaalsContact C-N 3.29Å; E23-F25 PolarHBondContact O-N 3.3Å; E23-M26 PolarHBondContact O-N 3.45Å; E23-M26 VanDerWaalsContact O-N 3.17Å; E23-E27 WeakPolarHBondContact O-CG 3.44Å; E23-E27 PolarHBondContact O-N 3.14Å |
| 24 | Q | 91.1 | Very high | 89.8 | Confident | 46 Ų | 46 | 47 Ų | 47 | 22% | 0.215 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64 | -34.3 | 179 | -71.2 | -166.9 | 6.4 | 0 | 0 | 112.9 | E19 T21 N28 | E19-Q24 PolarHBondContact O-OE1 3.5Å; E19-Q24 VanDerWaalsContact O-OE1 3.04Å; E19-Q24 PolarHBondContact OE2-NE2 3.3Å; T21-Q24 PolarHBondContact O-N 2.94Å; T21-Q24 PolarHBondContact OG1-N 3.2Å; Q24-N28 WeakPolarHBondContact O-CB 3.29Å; Q24-N28 PolarHBondContact O-N 2.89Å; Q24-N28 VanDerWaalsContact O-N 3.1Å |
| 25 | F | 93.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.6 | -48.1 | 175.2 | -168.8 | -75.4 | 0 | 0 | 0 | 110.8 | F14 L17 T21 M22 E23 N28 L29 I42 V611 L616 L617 V620 | F14-F25 HydrophobicContact CB-CD2 4.4Å; F14-F25 HydrophobicContact CB-CE2 3.97Å; F14-F25 AromaticContact CD1-CD2 3.66Å; F14-F25 HydrophobicContact CD1-CD2 3.66Å; F14-F25 HydrophobicContact CD1-CE1 4.46Å; F14-F25 AromaticContact CD1-CE2 3.56Å; F14-F25 HydrophobicContact CD1-CE2 3.56Å; F14-F25 HydrophobicContact CD1-CG 4.17Å; F14-F25 AromaticContact CD1-CZ 3.99Å; F14-F25 HydrophobicContact CD1-CZ 3.99Å; F14-F25 AromaticContact CD2-CE2 3.73Å; F14-F25 HydrophobicContact CD2-CE2 3.73Å; F14-F25 AromaticContact CD2-CZ 3.73Å; F14-F25 HydrophobicContact CD2-CZ 3.73Å; F14-F25 HydrophobicContact CE1-CD1 4.03Å; F14-F25 AromaticContact CE1-CD2 3.95Å; F14-F25 HydrophobicContact CE1-CD2 3.95Å; F14-F25 AromaticContact CE1-CE1 3.91Å; F14-F25 HydrophobicContact CE1-CE1 3.91Å; F14-F25 AromaticContact CE1-CE2 3.85Å; F14-F25 HydrophobicContact CE1-CE2 3.85Å; F14-F25 HydrophobicContact CE1-CG 4.04Å; F14-F25 AromaticContact CE1-CZ 3.82Å; F14-F25 HydrophobicContact CE1-CZ 3.82Å; F14-F25 HydrophobicContact CE2-CE1 4.09Å; F14-F25 HydrophobicContact CE2-CE2 4.01Å; F14-F25 AromaticContact CE2-CZ 3.54Å; F14-F25 HydrophobicContact CE2-CZ 3.54Å; F14-F25 HydrophobicContact CG-CD2 4.02Å; F14-F25 AromaticContact CG-CE2 3.49Å; F14-F25 HydrophobicContact CG-CE2 3.49Å; F14-F25 VanDerWaalsContact CG-CE2 3.49Å; F14-F25 AromaticContact CG-CZ 3.94Å; F14-F25 HydrophobicContact CG-CZ 3.94Å; F14-F25 HydrophobicContact CZ-CD1 4.26Å; F14-F25 AromaticContact CZ-CE1 3.71Å; F14-F25 HydrophobicContact CZ-CE1 3.71Å; F14-F25 HydrophobicContact CZ-CE2 4.07Å; F14-F25 AromaticContact CZ-CZ 3.6Å; F14-F25 HydrophobicContact CZ-CZ 3.6Å; L17-F25 HydrophobicContact CD1-CB 4.4Å; L17-F25 HydrophobicContact CD1-CD2 4.26Å; T21-F25 WeakPolarHBondContact O-CB 3.45Å; T21-F25 PolarHBondContact O-N 3.21Å; T21-F25 VanDerWaalsContact O-N 3.08Å; M22-F25 PolarHBondContact O-N 3.15Å; E23-F25 VanDerWaalsContact C-N 3.29Å; E23-F25 PolarHBondContact O-N 3.3Å; F25-N28 PolarHBondContact O-N 2.96Å; F25-L29 HydrophobicContact CE1-CD2 4.37Å; F25-L29 WeakPolarHBondContact O-CB 3.44Å; F25-L29 PolarHBondContact O-N 3.2Å; F25-I42 HydrophobicContact CE2-CD1 4.36Å; F25-I42 HydrophobicContact CZ-CD1 4.35Å; F25-V611 HydrophobicContact CD1-CB 4.46Å; F25-V611 HydrophobicContact CD1-CG1 3.61Å; F25-V611 HydrophobicContact CD1-CG2 3.93Å; F25-V611 HydrophobicContact CE1-CB 4.31Å; F25-V611 HydrophobicContact CE1-CG1 3.62Å; F25-V611 HydrophobicContact CE1-CG2 3.6Å; F25-V611 HydrophobicContact CG-CG1 4.24Å; F25-V611 HydrophobicContact CZ-CG1 4.22Å; F25-L616 HydrophobicContact CE1-CB 4.49Å; F25-L616 HydrophobicContact CE1-CD1 4.37Å; F25-L616 HydrophobicContact CE2-CB 4.29Å; F25-L616 HydrophobicContact CZ-CB 3.82Å; F25-L616 HydrophobicContact CZ-CD1 4.12Å; F25-L617 HydrophobicContact CB-CD1 4.32Å; F25-L617 HydrophobicContact CD2-CD1 4.28Å; F25-V620 HydrophobicContact CD2-CG2 4.42Å; F25-V620 HydrophobicContact CE2-CG2 3.97Å |
| 26 | M | 94.6 | Very high | 90.1 | Very high | 16 Ų | 16 | 52.9 Ų | 52.9 | 8% | 0.079 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.4 | -42.1 | 179.9 | -74.1 | -52.4 | -59.4 | 0 | 0 | 112.3 | M22 E23 N28 L29 K30 F602 C607 Q608 V611 | M22-M26 HydrophobicContact CG-CG 4.4Å; M22-M26 WeakPolarHBondContact O-CB 3.28Å; M22-M26 VanDerWaalsContact O-CG 3.23Å; M22-M26 WeakPolarHBondContact O-CG 3.17Å; M22-M26 PolarHBondContact O-N 3.34Å; M22-M26 HydrophobicContact SD-CG 4.16Å; E23-M26 PolarHBondContact O-N 3.45Å; E23-M26 VanDerWaalsContact O-N 3.17Å; M26-N28 PolarHBondContact O-N 2.93Å; M26-L29 PolarHBondContact O-N 3.36Å; M26-L29 HydrophobicContact SD-CD2 4.33Å; M26-K30 VanDerWaalsContact O-CB 3.26Å; M26-K30 WeakPolarHBondContact O-CB 3.1Å; M26-K30 PolarHBondContact O-N 3.11Å; M26-F602 HydrophobicContact CE-CE1 3.57Å; M26-F602 HydrophobicContact CE-CZ 3.74Å; M26-C607 HydrophobicContact CE-CB 3.4Å; M26-C607 VanDerWaalsContact CE-CB 3.4Å; M26-C607 HydrophobicContact SD-CB 4.42Å; M26-Q608 HydrophobicContact CE-CB 4.4Å; M26-Q608 HydrophobicContact CG-CB 4.29Å; M26-Q608 HydrophobicContact SD-CB 4.22Å; M26-V611 HydrophobicContact SD-CB 4.34Å; M26-V611 HydrophobicContact SD-CG2 3.72Å |
| 27 | E | 93.6 | Very high | 90.6 | Very high | 120 Ų | 120 | 55.6 Ų | 55.6 | 56% | 0.561 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -58.7 | -47.1 | 175.4 | -74.9 | -176.1 | 162.1 | 0 | 0 | 112.1 | E23 K30 L31 | E23-E27 WeakPolarHBondContact O-CG 3.44Å; E23-E27 PolarHBondContact O-N 3.14Å; E27-K30 PolarHBondContact O-N 3.03Å; E27-L31 VanDerWaalsContact O-CB 3.3Å; E27-L31 WeakPolarHBondContact O-CB 3.36Å; E27-L31 PolarHBondContact O-N 2.85Å |
| 28 | N | 94.1 | Very high | 91.1 | Very high | 13 Ų | 13 | 55.5 Ų | 55.5 | 7% | 0.07 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.2 | -41.3 | 178.6 | -173.4 | 62.9 | 0 | 0 | 0 | 112 | G10 K11 F14 L17 Q24 F25 M26 R32 | G10-N28 WeakPolarHBondContact CA-OD1 3.22Å; K11-N28 PolarHBondContact N-OD1 3.18Å; K11-N28 PolarHBondContact O-ND2 3.02Å; F14-N28 HydrophobicContact CE1-CB 4.14Å; F14-N28 WeakPolarHBondContact CE1-ND2 3.49Å; L17-N28 HydrophobicContact CD2-CB 3.95Å; Q24-N28 WeakPolarHBondContact O-CB 3.29Å; Q24-N28 PolarHBondContact O-N 2.89Å; Q24-N28 VanDerWaalsContact O-N 3.1Å; F25-N28 PolarHBondContact O-N 2.96Å; M26-N28 PolarHBondContact O-N 2.93Å; N28-R32 WeakPolarHBondContact O-CB 3.38Å; N28-R32 WeakPolarHBondContact O-CG 3.38Å; N28-R32 PolarHBondContact O-N 3.2Å |
| 29 | L | 94.5 | Very high | 91.9 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.4 | -44.3 | 177.5 | -175 | 66.5 | 0 | 0 | 0 | 111.3 | F14 F25 M26 F33 V47 V49 I591 F602 V611 | F14-L29 HydrophobicContact CE1-CB 4.47Å; F14-L29 HydrophobicContact CZ-CB 4.1Å; F14-L29 HydrophobicContact CZ-CD1 3.97Å; F25-L29 HydrophobicContact CE1-CD2 4.37Å; F25-L29 WeakPolarHBondContact O-CB 3.44Å; F25-L29 PolarHBondContact O-N 3.2Å; M26-L29 PolarHBondContact O-N 3.36Å; M26-L29 HydrophobicContact SD-CD2 4.33Å; L29-F33 WeakPolarHBondContact O-CB 3.25Å; L29-F33 PolarHBondContact O-N 3.5Å; L29-V47 HydrophobicContact CD1-CG1 4.25Å; L29-V49 HydrophobicContact CD1-CG2 3.55Å; L29-V49 HydrophobicContact CG-CG2 4.27Å; L29-I591 HydrophobicContact CD1-CD1 4.46Å; L29-I591 HydrophobicContact CD2-CD1 3.72Å; L29-F602 HydrophobicContact CD2-CE2 4.47Å; L29-F602 HydrophobicContact CD2-CZ 4.06Å; L29-F602 HydrophobicContact CG-CE2 4.31Å; L29-F602 HydrophobicContact CG-CZ 4.14Å; L29-V611 HydrophobicContact CD2-CG2 4.09Å |
| 30 | K | 94.4 | Very high | 92.4 | Very high | 58 Ų | 58 | 45.3 Ų | 45.3 | 25% | 0.252 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64.9 | -49 | 177.6 | -174.5 | 178.1 | -167.6 | 160.8 | 0 | 111.8 | M26 E27 R32 F33 E34 F602 D604 | M26-K30 VanDerWaalsContact O-CB 3.26Å; M26-K30 WeakPolarHBondContact O-CB 3.1Å; M26-K30 PolarHBondContact O-N 3.11Å; E27-K30 PolarHBondContact O-N 3.03Å; K30-R32 VanDerWaalsContact C-N 3.3Å; K30-R32 PolarHBondContact O-N 3.49Å; K30-F33 PolarHBondContact O-N 3.02Å; K30-F33 VanDerWaalsContact O-N 3.15Å; K30-E34 WeakPolarHBondContact CE-OE1 3.33Å; K30-E34 HydrophobicContact CG-CG 4.46Å; K30-E34 WeakPolarHBondContact O-CG 3.27Å; K30-E34 PolarHBondContact O-N 3.27Å; K30-F602 HydrophobicContact CB-CD1 4.15Å; K30-F602 HydrophobicContact CB-CE1 3.96Å; K30-F602 HydrophobicContact CB-CZ 4.26Å; K30-F602 HydrophobicContact CD-CD1 4.17Å; K30-F602 HydrophobicContact CG-CD1 3.9Å; K30-F602 HydrophobicContact CG-CE1 4.22Å; K30-F602 HydrophobicContact CG-CG 4.22Å; K30-D604 WeakPolarHBondContact CD-OD1 3.36Å; K30-D604 VanDerWaalsContact NZ-CG 3.32Å; K30-D604 IonicContact NZ-OD1 2.68Å; K30-D604 PolarHBondContact NZ-OD1 2.89Å; K30-D604 IonicContact NZ-OD2 2.71Å; K30-D604 PolarHBondContact NZ-OD2 2.92Å |
| 31 | L | 93.7 | Very high | 92.7 | Very high | 60 Ų | 60 | 44.4 Ų | 44.4 | 31% | 0.314 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -57.1 | -44.7 | 177.7 | 178 | 62.5 | 0 | 0 | 0 | 111.4 | E27 E34 K35 | E27-L31 VanDerWaalsContact O-CB 3.3Å; E27-L31 WeakPolarHBondContact O-CB 3.36Å; E27-L31 PolarHBondContact O-N 2.85Å; L31-E34 PolarHBondContact O-N 3.38Å; L31-K35 HydrophobicContact CD1-CG 4.31Å; L31-K35 VanDerWaalsContact O-CG 3.24Å; L31-K35 WeakPolarHBondContact O-CG 3.44Å; L31-K35 PolarHBondContact O-N 3Å; L31-K35 VanDerWaalsContact O-N 3.12Å |
| 32 | R | 94.1 | Very high | 92.7 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.008 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.4 | -46.2 | 176.5 | -79.1 | -173.5 | 75.5 | 71.1 | 2.3 | 112 | E5 F9 G10 K11 N28 K30 K35 G36 R37 Y39 T40 | E5-R32 IonicContact OE2-CZ 3.7Å; E5-R32 IonicContact OE2-NH1 3.22Å; E5-R32 PolarHBondContact OE2-NH1 3.48Å; E5-R32 IonicContact OE2-NH2 2.94Å; E5-R32 PolarHBondContact OE2-NH2 3.4Å; F9-R32 WeakPolarHBondContact O-CG 3.09Å; F9-R32 PolarHBondContact O-NH1 2.85Å; G10-R32 PolarHBondContact O-NH1 2.79Å; K11-R32 VanDerWaalsContact O-CD 3.31Å; K11-R32 WeakPolarHBondContact O-CD 3.48Å; N28-R32 WeakPolarHBondContact O-CB 3.38Å; N28-R32 WeakPolarHBondContact O-CG 3.38Å; N28-R32 PolarHBondContact O-N 3.2Å; K30-R32 VanDerWaalsContact C-N 3.3Å; K30-R32 PolarHBondContact O-N 3.49Å; R32-K35 CarbonylContact O-C 3.57Å; R32-K35 PolarHBondContact O-N 3.13Å; R32-G36 PolarHBondContact O-N 3.49Å; R32-R37 CarbonylContact C-O 3.55Å; R32-R37 HydrophobicContact CB-CB 4.25Å; R32-R37 WeakPolarHBondContact O-CA 3.48Å; R32-R37 WeakPolarHBondContact O-CB 3.36Å; R32-R37 PolarHBondContact O-N 3.31Å; R32-Y39 PolarHBondContact NE-O 2.96Å; R32-Y39 PolarHBondContact NH2-O 2.83Å; R32-T40 VanDerWaalsContact CD-OG1 3.28Å; R32-T40 WeakPolarHBondContact CD-OG1 3.4Å; R32-T40 PolarHBondContact NE-OG1 2.93Å |
| 33 | F | 93.3 | Very high | 92.3 | Very high | 13 Ų | 13 | 41 Ų | 41 | 6% | 0.057 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.6 | -47.5 | 178.3 | -178.3 | -104.8 | 0 | 0 | 0 | 112.3 | L29 K30 K35 G36 V49 P593 F602 | L29-F33 WeakPolarHBondContact O-CB 3.25Å; L29-F33 PolarHBondContact O-N 3.5Å; K30-F33 PolarHBondContact O-N 3.02Å; K30-F33 VanDerWaalsContact O-N 3.15Å; F33-K35 PolarHBondContact O-N 2.95Å; F33-G36 WeakPolarHBondContact O-CA 3.23Å; F33-G36 PolarHBondContact O-N 3.41Å; F33-V49 HydrophobicContact CD2-CB 4.01Å; F33-V49 HydrophobicContact CD2-CG1 3.46Å; F33-V49 VanDerWaalsContact CD2-CG1 3.46Å; F33-V49 HydrophobicContact CE2-CG1 3.71Å; F33-V49 HydrophobicContact CG-CG1 4.26Å; F33-P593 HydrophobicContact CE1-CB 4.25Å; F33-P593 HydrophobicContact CE2-CB 4.15Å; F33-P593 HydrophobicContact CE2-CG 4.11Å; F33-P593 HydrophobicContact CZ-CB 3.86Å; F33-P593 HydrophobicContact CZ-CG 3.92Å; F33-F602 HydrophobicContact CB-CD2 4.18Å; F33-F602 HydrophobicContact CB-CE2 4.39Å; F33-F602 HydrophobicContact CD1-CB 4.11Å; F33-F602 AromaticContact CD1-CD2 3.68Å; F33-F602 HydrophobicContact CD1-CD2 3.68Å; F33-F602 HydrophobicContact CD1-CG 4.34Å; F33-F602 HydrophobicContact CE1-CB 4.3Å; F33-F602 HydrophobicContact CE1-CD2 4.26Å; F33-F602 AromaticContact CG-CD2 3.99Å; F33-F602 HydrophobicContact CG-CD2 3.99Å |
| 34 | E | 92.2 | Very high | 91.7 | Very high | 125 Ų | 125 | 37 Ų | 37 | 58% | 0.584 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -59.7 | -34.2 | 178 | -73.3 | 178 | 178.9 | 0 | 0 | 112.5 | K30 L31 G36 | K30-E34 WeakPolarHBondContact CE-OE1 3.33Å; K30-E34 HydrophobicContact CG-CG 4.46Å; K30-E34 WeakPolarHBondContact O-CG 3.27Å; K30-E34 PolarHBondContact O-N 3.27Å; L31-E34 PolarHBondContact O-N 3.38Å; E34-G36 VanDerWaalsContact C-N 3.26Å; E34-G36 PolarHBondContact O-N 3Å |
| 35 | K | 91.4 | Very high | 91.6 | Very high | 108 Ų | 108 | 34.8 Ų | 34.8 | 47% | 0.47 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 6.1 | 175.3 | -58.6 | -68.1 | -176.5 | -179.3 | 0 | 113.9 | F9 L31 R32 F33 | F9-K35 HydrophobicContact CD1-CB 3.69Å; F9-K35 HydrophobicContact CD1-CG 4.24Å; F9-K35 HydrophobicContact CE1-CB 4.23Å; L31-K35 HydrophobicContact CD1-CG 4.31Å; L31-K35 VanDerWaalsContact O-CG 3.24Å; L31-K35 WeakPolarHBondContact O-CG 3.44Å; L31-K35 PolarHBondContact O-N 3Å; L31-K35 VanDerWaalsContact O-N 3.12Å; R32-K35 CarbonylContact O-C 3.57Å; R32-K35 PolarHBondContact O-N 3.13Å; F33-K35 PolarHBondContact O-N 2.95Å |
| 36 | G | 89.6 | Confident | 91.6 | Very high | 18 Ų | 18 | 34.8 Ų | 34.8 | 19% | 0.186 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77 | 15.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115 | R32 F33 E34 M55 | R32-G36 PolarHBondContact O-N 3.49Å; F33-G36 WeakPolarHBondContact O-CA 3.23Å; F33-G36 PolarHBondContact O-N 3.41Å; E34-G36 VanDerWaalsContact C-N 3.26Å; E34-G36 PolarHBondContact O-N 3Å; G36-M55 WeakPolarHBondContact O-CE 3.39Å |
| 37 | R | 92.3 | Very high | 91.7 | Very high | 91 Ų | 91 | 34 Ų | 34 | 34% | 0.343 | 16% | 0.164 | S | C | . | . | trans | -95.4 | 95.1 | 174.8 | -56.7 | -56.8 | -177 | 167 | -10.3 | 109.6 | E5 F9 R32 | E5-R37 WeakPolarHBondContact OE1-CD 3.47Å; E5-R37 IonicContact OE1-CZ 2.77Å; E5-R37 IonicContact OE1-NE 3.35Å; E5-R37 PolarHBondContact OE1-NE 3.4Å; E5-R37 IonicContact OE1-NH1 2.77Å; E5-R37 PolarHBondContact OE1-NH1 2.87Å; F9-R37 HydrophobicContact CB-CG 4.31Å; F9-R37 HydrophobicContact CD1-CG 4.06Å; F9-R37 HydrophobicContact CG-CG 4.48Å; R32-R37 CarbonylContact C-O 3.55Å; R32-R37 HydrophobicContact CB-CB 4.25Å; R32-R37 WeakPolarHBondContact O-CA 3.48Å; R32-R37 WeakPolarHBondContact O-CB 3.36Å; R32-R37 PolarHBondContact O-N 3.31Å | ||
| 38 | I | 94.1 | Very high | 91.8 | Very high | 7 Ų | 7 | 28.6 Ų | 28.6 | 4% | 0.036 | 14% | 0.14 | C | C | . | . | trans | -82.1 | -16.1 | -174.3 | 61.9 | 171.6 | 0 | 0 | 0 | 114.9 | V49 P51 I57 | I38-V49 WeakPolarHBondContact CB-O 3.42Å; I38-V49 PolarHBondContact O-N 3.06Å; I38-P51 HydrophobicContact CD1-CG 4.02Å; I38-P51 HydrophobicContact CG2-CB 3.94Å; I38-P51 HydrophobicContact CG2-CG 4.4Å; I38-I57 HydrophobicContact CD1-CD1 3.94Å; I38-I57 HydrophobicContact CG1-CD1 4.29Å | ||
| 39 | Y | 95.4 | Very high | 91.8 | Very high | 10 Ų | 10 | 28.1 Ų | 28.1 | 4% | 0.039 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 137.9 | -178.7 | -64.3 | -56.3 | 0 | 0 | 0 | 111.2 | R32 V46 V47 S48 I57 Y58 P76 H77 L78 | R32-Y39 PolarHBondContact NE-O 2.96Å; R32-Y39 PolarHBondContact NH2-O 2.83Å; Y39-V46 HydrophobicContact CD1-CG1 3.67Å; Y39-V46 HydrophobicContact CE1-CG1 4.4Å; Y39-V46 HydrophobicContact CG-CG1 4.36Å; Y39-V47 WeakPolarHBondContact CA-O 3.43Å; Y39-S48 VanDerWaalsContact CE1-OG 3.3Å; Y39-S48 WeakPolarHBondContact CE1-OG 3.37Å; Y39-I57 HydrophobicContact CD2-CD1 4.29Å; Y39-I57 HydrophobicContact CE2-CD1 3.72Å; Y39-Y58 HydrophobicContact CE2-CE1 4.36Å; Y39-Y58 PolarHBondContact OH-OH 3.03Å; Y39-P76 VanDerWaalsContact CB-O 3.24Å; Y39-P76 WeakPolarHBondContact CB-O 3.27Å; Y39-P76 WeakPolarHBondContact O-CB 3.44Å; Y39-H77 AromaticContact CD2-CD2 3.67Å; Y39-H77 AromaticContact CE2-CD2 3.67Å; Y39-H77 AromaticContact CE2-NE2 3.86Å; Y39-L78 HydrophobicContact CD1-CG 4.48Å; Y39-L78 HydrophobicContact CE1-CD1 4.12Å; Y39-L78 HydrophobicContact CE1-CD2 3.97Å; Y39-L78 HydrophobicContact CE1-CG 3.62Å; Y39-L78 HydrophobicContact CE2-CG 4.38Å; Y39-L78 WeakPolarHBondContact OH-CD1 3.37Å; Y39-L78 WeakPolarHBondContact OH-CG 3.47Å |
| 40 | T | 94.2 | Very high | 91.8 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.006 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 138.8 | 176.1 | -47.3 | 0 | 0 | 0 | 0 | 109.1 | S12 F14 R32 V47 | S12-T40 WeakPolarHBondContact O-CG2 3.49Å; F14-T40 HydrophobicContact CD2-CG2 3.6Å; F14-T40 HydrophobicContact CE1-CG2 4.35Å; F14-T40 HydrophobicContact CE2-CG2 3.35Å; F14-T40 HydrophobicContact CG-CG2 4.22Å; F14-T40 HydrophobicContact CZ-CG2 3.76Å; R32-T40 VanDerWaalsContact CD-OG1 3.28Å; R32-T40 WeakPolarHBondContact CD-OG1 3.4Å; R32-T40 PolarHBondContact NE-OG1 2.93Å; T40-V47 PolarHBondContact N-O 3.21Å; T40-V47 PolarHBondContact O-N 3.19Å |
| 41 | Y | 91.7 | Very high | 91.6 | Very high | 9 Ų | 9 | 27.6 Ų | 27.6 | 4% | 0.035 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 153.8 | 178.6 | -67.6 | -47.5 | 0 | 0 | 0 | 112.5 | S12 D13 F14 V45 V46 L71 P75 P76 A80 | S12-Y41 PolarHBondContact O-N 2.85Å; D13-Y41 CarbonylContact C-O 3.54Å; D13-Y41 WeakPolarHBondContact CA-O 3.36Å; F14-Y41 WeakPolarHBondContact CD2-O 3.5Å; F14-Y41 PolarHBondContact N-O 2.56Å; Y41-V45 CarbonylContact C-O 3.6Å; Y41-V45 WeakPolarHBondContact CA-O 3.26Å; Y41-V46 HydrophobicContact CD1-CG2 3.45Å; Y41-V46 VanDerWaalsContact CD1-CG2 3.45Å; Y41-V46 HydrophobicContact CE1-CG2 3.38Å; Y41-L71 HydrophobicContact CE1-CD2 3.83Å; Y41-L71 VanDerWaalsContact CE2-O 3.29Å; Y41-L71 WeakPolarHBondContact CE2-O 3.3Å; Y41-L71 PolarHBondContact OH-O 3.49Å; Y41-P75 PolarHBondContact OH-O 2.96Å; Y41-P76 HydrophobicContact CD1-CB 4.13Å; Y41-P76 HydrophobicContact CD2-CB 3.99Å; Y41-P76 HydrophobicContact CD2-CG 3.66Å; Y41-P76 HydrophobicContact CE1-CB 4.12Å; Y41-P76 HydrophobicContact CE2-CB 3.99Å; Y41-P76 HydrophobicContact CE2-CG 3.87Å; Y41-P76 HydrophobicContact CG-CB 4.06Å; Y41-P76 HydrophobicContact CG-CG 4.06Å; Y41-A80 WeakPolarHBondContact OH-CB 3.37Å |
| 42 | I | 88.3 | Confident | 91.4 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 80 | 155.5 | -56.2 | 170.3 | 0 | 0 | 0 | 105.1 | F14 V15 F25 E44 V45 V47 L616 N619 V620 R623 | F14-I42 HydrophobicContact CB-CG1 4.02Å; F14-I42 HydrophobicContact CD2-CD1 4.2Å; F14-I42 HydrophobicContact CD2-CG1 3.59Å; F14-I42 HydrophobicContact CG-CG1 4.24Å; V15-I42 HydrophobicContact CG2-CG2 4.2Å; F25-I42 HydrophobicContact CE2-CD1 4.36Å; F25-I42 HydrophobicContact CZ-CD1 4.35Å; I42-E44 PolarHBondContact O-N 2.83Å; I42-V45 HydrophobicContact CB-CB 4.2Å; I42-V45 PolarHBondContact N-O 3.34Å; I42-V45 PolarHBondContact O-N 3.43Å; I42-V45 VanDerWaalsContact O-N 3.09Å; I42-V47 HydrophobicContact CD1-CG2 3.55Å; I42-V47 HydrophobicContact CG1-CG2 3.92Å; I42-L616 HydrophobicContact CD1-CB 4.03Å; I42-L616 HydrophobicContact CD1-CD2 3.9Å; I42-L616 HydrophobicContact CD1-CG 4.45Å; I42-N619 HydrophobicContact CG2-CB 4.15Å; I42-V620 HydrophobicContact CB-CG2 4.5Å; I42-V620 HydrophobicContact CD1-CG2 4.19Å; I42-V620 HydrophobicContact CG1-CG2 4.11Å; I42-V620 HydrophobicContact CG2-CG2 3.65Å; I42-R623 PolarHBondContact O-NE 3.47Å |
| 43 | G | 81 | Confident | 91.2 | Very high | 20 Ų | 20 | 34 Ų | 34 | 21% | 0.206 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | -107.1 | -166.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | D13 | D13-G43 PolarHBondContact OD1-N 3.27Å; D13-G43 VanDerWaalsContact OD1-N 3.16Å; D13-G43 PolarHBondContact OD2-N 2.71Å |
| 44 | E | 78.6 | Confident | 90.9 | Very high | 58 Ų | 58 | 42.2 Ų | 42.2 | 27% | 0.271 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -5 | -179.6 | -56.9 | -173.2 | 157 | 0 | 0 | 113.6 | I42 L71 Q419 | I42-E44 PolarHBondContact O-N 2.83Å; E44-L71 HydrophobicContact CB-CD1 4.41Å; E44-L71 HydrophobicContact CG-CD1 4.17Å; E44-Q419 PolarHBondContact OE2-NE2 3.31Å; E44-Q419 VanDerWaalsContact OE2-NE2 3.12Å |
| 45 | V | 89 | Confident | 90.7 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 139.4 | 175.5 | -178 | 0 | 0 | 0 | 0 | 109.4 | Y41 I42 F412 R589 | Y41-V45 CarbonylContact C-O 3.6Å; Y41-V45 WeakPolarHBondContact CA-O 3.26Å; I42-V45 HydrophobicContact CB-CB 4.2Å; I42-V45 PolarHBondContact N-O 3.34Å; I42-V45 PolarHBondContact O-N 3.43Å; I42-V45 VanDerWaalsContact O-N 3.09Å; V45-F412 HydrophobicContact CG2-CE2 4.49Å; V45-R589 HydrophobicContact CG1-CG 3.79Å |
| 46 | V | 93.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 124 | 171.2 | 168.2 | 0 | 0 | 0 | 0 | 110.4 | Y39 Y41 L78 V81 Y587 V588 R589 | Y39-V46 HydrophobicContact CD1-CG1 3.67Å; Y39-V46 HydrophobicContact CE1-CG1 4.4Å; Y39-V46 HydrophobicContact CG-CG1 4.36Å; Y41-V46 HydrophobicContact CD1-CG2 3.45Å; Y41-V46 VanDerWaalsContact CD1-CG2 3.45Å; Y41-V46 HydrophobicContact CE1-CG2 3.38Å; V46-L78 HydrophobicContact CG1-CD2 4.29Å; V46-V81 HydrophobicContact CB-CG2 4.1Å; V46-V81 HydrophobicContact CG2-CG2 3.28Å; V46-Y587 PolarHBondContact N-O 3.38Å; V46-V588 CarbonylContact O-C 3.6Å; V46-V588 WeakPolarHBondContact O-CA 3.36Å; V46-R589 PolarHBondContact O-N 3.12Å |
| 47 | V | 95.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 128.5 | 165 | -176 | 0 | 0 | 0 | 0 | 108.5 | F14 L29 Y39 T40 I42 R589 I591 L616 | F14-V47 HydrophobicContact CD2-CG2 4.34Å; F14-V47 HydrophobicContact CE2-CB 4.23Å; F14-V47 HydrophobicContact CE2-CG2 4.01Å; L29-V47 HydrophobicContact CD1-CG1 4.25Å; Y39-V47 WeakPolarHBondContact CA-O 3.43Å; T40-V47 PolarHBondContact N-O 3.21Å; T40-V47 PolarHBondContact O-N 3.19Å; I42-V47 HydrophobicContact CD1-CG2 3.55Å; I42-V47 HydrophobicContact CG1-CG2 3.92Å; V47-R589 CarbonylContact C-O 3.57Å; V47-R589 VanDerWaalsContact CA-O 3.31Å; V47-R589 WeakPolarHBondContact CA-O 3.1Å; V47-I591 HydrophobicContact CG1-CD1 3.56Å; V47-I591 HydrophobicContact CG1-CG1 4.19Å; V47-L616 HydrophobicContact CG1-CD1 4.17Å; V47-L616 HydrophobicContact CG2-CD1 4.06Å; V47-L616 HydrophobicContact CG2-CD2 4.21Å |
| 48 | S | 95.6 | Very high | 90.5 | Very high | 7 Ų | 7 | 40 Ų | 40 | 5% | 0.049 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 113.7 | -176.5 | 174.2 | 0 | 0 | 0 | 0 | 110.3 | Y39 R589 C590 I591 | Y39-S48 VanDerWaalsContact CE1-OG 3.3Å; Y39-S48 WeakPolarHBondContact CE1-OG 3.37Å; S48-R589 PolarHBondContact N-O 2.78Å; S48-C590 CarbonylContact O-C 3.46Å; S48-C590 VanDerWaalsContact O-CA 3.24Å; S48-C590 WeakPolarHBondContact O-CA 3.33Å; S48-I591 PolarHBondContact O-N 3.02Å |
| 49 | V | 95.5 | Very high | 90.3 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.012 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 127.8 | 174.3 | -171.6 | 0 | 0 | 0 | 0 | 109.8 | L29 F33 I38 P51 I591 P593 | L29-V49 HydrophobicContact CD1-CG2 3.55Å; L29-V49 HydrophobicContact CG-CG2 4.27Å; F33-V49 HydrophobicContact CD2-CB 4.01Å; F33-V49 HydrophobicContact CD2-CG1 3.46Å; F33-V49 VanDerWaalsContact CD2-CG1 3.46Å; F33-V49 HydrophobicContact CE2-CG1 3.71Å; F33-V49 HydrophobicContact CG-CG1 4.26Å; I38-V49 WeakPolarHBondContact CB-O 3.42Å; I38-V49 PolarHBondContact O-N 3.06Å; V49-P51 VanDerWaalsContact O-CD 3.24Å; V49-P51 WeakPolarHBondContact O-CD 3.34Å; V49-I591 WeakPolarHBondContact CA-O 3.23Å; V49-I591 HydrophobicContact CG2-CB 4.39Å; V49-P593 HydrophobicContact CG1-CB 3.85Å; V49-P593 HydrophobicContact CG1-CG 4.11Å |
| 50 | N | 93.4 | Very high | 89.9 | Confident | 30 Ų | 30 | 48.6 Ų | 48.6 | 16% | 0.16 | 24% | 0.241 | C | C | . | . | trans | -64 | 117.4 | -178 | -173.2 | -9.5 | 0 | 0 | 0 | 111.6 | Y52 G105 I591 P593 | N50-Y52 VanDerWaalsContact C-N 3.3Å; N50-Y52 WeakPolarHBondContact ND2-CE1 3.46Å; N50-Y52 PolarHBondContact O-N 2.92Å; N50-Y52 PolarHBondContact OD1-N 3.18Å; N50-G105 PolarHBondContact ND2-O 3.11Å; N50-I591 PolarHBondContact N-O 3.33Å; N50-P593 WeakPolarHBondContact O-CD 3.5Å; N50-P593 WeakPolarHBondContact O-CG 3.44Å | ||
| 51 | P | 91.9 | Very high | 89.7 | Confident | 18 Ų | 18 | 55 Ų | 55 | 12% | 0.117 | 28% | 0.276 | C | S | . | . | trans | -71.8 | -17 | -179.3 | 25.5 | -32.6 | 0 | 0 | 0 | 114.9 | I38 V49 R53 M55 P599 | I38-P51 HydrophobicContact CD1-CG 4.02Å; I38-P51 HydrophobicContact CG2-CB 3.94Å; I38-P51 HydrophobicContact CG2-CG 4.4Å; V49-P51 VanDerWaalsContact O-CD 3.24Å; V49-P51 WeakPolarHBondContact O-CD 3.34Å; P51-R53 HydrophobicContact CB-CG 4.05Å; P51-R53 WeakPolarHBondContact CG-O 3.47Å; P51-R53 PolarHBondContact O-N 3.23Å; P51-M55 HydrophobicContact CB-CG 4.04Å; P51-M55 HydrophobicContact CB-SD 4.41Å; P51-M55 HydrophobicContact CG-CG 4.05Å; P51-P599 WeakPolarHBondContact O-CA 3.25Å; P51-P599 VanDerWaalsContact O-CB 3.25Å; P51-P599 WeakPolarHBondContact O-CB 3.48Å | ||
| 52 | Y | 89.5 | Confident | 89.6 | Confident | 55 Ų | 55 | 55.5 Ų | 55.5 | 22% | 0.216 | 28% | 0.281 | C | S | . | . | S | Bend | trans | 52 | 17.6 | -168.3 | -68.8 | -61.1 | 0 | 0 | 0 | 115.5 | N50 K592 P593 N594 K597 | N50-Y52 VanDerWaalsContact C-N 3.3Å; N50-Y52 WeakPolarHBondContact ND2-CE1 3.46Å; N50-Y52 PolarHBondContact O-N 2.92Å; N50-Y52 PolarHBondContact OD1-N 3.18Å; Y52-K592 WeakPolarHBondContact OH-CE 3.44Å; Y52-K592 WeakPolarHBondContact OH-CG 3.38Å; Y52-P593 HydrophobicContact CD2-CG 3.94Å; Y52-P593 HydrophobicContact CE2-CG 3.71Å; Y52-N594 PolarHBondContact OH-O 3.33Å; Y52-K597 HydrophobicContact CD1-CB 4.02Å; Y52-K597 HydrophobicContact CD1-CG 4.48Å; Y52-K597 HydrophobicContact CE1-CB 3.99Å; Y52-K597 HydrophobicContact CE1-CG 3.99Å; Y52-K597 HydrophobicContact CG-CB 4.42Å |
| 53 | R | 89.4 | Confident | 89.7 | Confident | 141 Ų | 141 | 56.7 Ų | 56.7 | 53% | 0.532 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -145.6 | 156.9 | 174.8 | 65.2 | 177.4 | -176.9 | -170.4 | -2.3 | 110.2 | P51 M55 P599 | P51-R53 HydrophobicContact CB-CG 4.05Å; P51-R53 WeakPolarHBondContact CG-O 3.47Å; P51-R53 PolarHBondContact O-N 3.23Å; R53-M55 HydrophobicContact CG-SD 4Å; R53-M55 PolarHBondContact NE-SD 2.96Å; R53-P599 HydrophobicContact CB-CB 4.37Å; R53-P599 HydrophobicContact CG-CB 4.31Å |
| 54 | Q | 86.7 | Confident | 90.1 | Very high | 187 Ų | 187 | 60 Ų | 60 | 87% | 0.874 | 30% | 0.3 | S | S | * | . | trans | -68.7 | 140.3 | 170.3 | -71.5 | -176.8 | -12.3 | 0 | 0 | 110.1 | ||||
| 55 | M | 87.6 | Confident | 90.6 | Very high | 36 Ų | 36 | 59.4 Ų | 59.4 | 18% | 0.177 | 31% | 0.306 | C | S | . | . | trans | -126.6 | 134.4 | -178 | -63.7 | -71.4 | -70.1 | 0 | 0 | 108.6 | G36 P51 R53 I57 | G36-M55 WeakPolarHBondContact O-CE 3.39Å; P51-M55 HydrophobicContact CB-CG 4.04Å; P51-M55 HydrophobicContact CB-SD 4.41Å; P51-M55 HydrophobicContact CG-CG 4.05Å; R53-M55 HydrophobicContact CG-SD 4Å; R53-M55 PolarHBondContact NE-SD 2.96Å; M55-I57 HydrophobicContact CB-CD1 4.07Å; M55-I57 HydrophobicContact CB-CG1 3.95Å; M55-I57 HydrophobicContact CB-CG2 4.46Å; M55-I57 PolarHBondContact O-N 3.2Å | ||
| 56 | D | 89.2 | Confident | 90.6 | Very high | 172 Ų | 172 | 60.5 Ų | 60.5 | 92% | 0.92 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | 47.5 | -179.1 | -64 | -31.1 | 0 | 0 | 0 | 112.5 | ||
| 57 | I | 90 | Very high | 90.3 | Very high | 50 Ų | 50 | 66.1 Ų | 66.1 | 26% | 0.256 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | -3.9 | -176.4 | 64.2 | -179.7 | 0 | 0 | 0 | 113.4 | I38 Y39 M55 A62 H77 | I38-I57 HydrophobicContact CD1-CD1 3.94Å; I38-I57 HydrophobicContact CG1-CD1 4.29Å; Y39-I57 HydrophobicContact CD2-CD1 4.29Å; Y39-I57 HydrophobicContact CE2-CD1 3.72Å; M55-I57 HydrophobicContact CB-CD1 4.07Å; M55-I57 HydrophobicContact CB-CG1 3.95Å; M55-I57 HydrophobicContact CB-CG2 4.46Å; M55-I57 PolarHBondContact O-N 3.2Å; I57-A62 WeakPolarHBondContact O-CB 3.5Å; I57-H77 PolarHBondContact O-NE2 3.43Å |
| 58 | Y | 90.6 | Very high | 89.6 | Confident | 38 Ų | 38 | 67.9 Ų | 67.9 | 15% | 0.149 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -108.6 | 15.9 | -176.7 | -51.6 | -70.4 | 0 | 0 | 0 | 113.3 | Y39 H77 Y79 Y114 | Y39-Y58 HydrophobicContact CE2-CE1 4.36Å; Y39-Y58 PolarHBondContact OH-OH 3.03Å; Y58-H77 AromaticContact CD1-CE1 3.89Å; Y58-H77 AromaticContact CD1-NE2 3.97Å; Y58-H77 AromaticContact CE1-CE1 3.98Å; Y58-H77 AromaticContact CE1-NE2 3.82Å; Y58-Y79 WeakPolarHBondContact CA-OH 3.13Å; Y58-Y79 WeakPolarHBondContact CB-OH 3.23Å; Y58-Y79 HydrophobicContact CD1-CE1 4.29Å; Y58-Y79 PolarHBondContact O-OH 3.25Å; Y58-Y114 AromaticContact CD1-CD1 3.54Å; Y58-Y114 HydrophobicContact CD1-CD1 3.54Å; Y58-Y114 HydrophobicContact CD1-CD2 4.01Å; Y58-Y114 AromaticContact CD1-CE1 3.88Å; Y58-Y114 HydrophobicContact CD1-CE1 3.88Å; Y58-Y114 HydrophobicContact CD1-CE2 4.31Å; Y58-Y114 AromaticContact CD1-CG 3.63Å; Y58-Y114 HydrophobicContact CD1-CG 3.63Å; Y58-Y114 HydrophobicContact CD2-CD1 4.03Å; Y58-Y114 HydrophobicContact CD2-CD2 4.44Å; Y58-Y114 AromaticContact CD2-CE1 3.45Å; Y58-Y114 HydrophobicContact CD2-CE1 3.45Å; Y58-Y114 VanDerWaalsContact CD2-CE1 3.45Å; Y58-Y114 AromaticContact CD2-CE2 3.92Å; Y58-Y114 HydrophobicContact CD2-CE2 3.92Å; Y58-Y114 HydrophobicContact CD2-CG 4.5Å; Y58-Y114 AromaticContact CD2-CZ 3.38Å; Y58-Y114 HydrophobicContact CE1-CD1 4.04Å; Y58-Y114 AromaticContact CE1-CD2 3.61Å; Y58-Y114 HydrophobicContact CE1-CD2 3.61Å; Y58-Y114 HydrophobicContact CE1-CE1 4.34Å; Y58-Y114 AromaticContact CE1-CE2 3.94Å; Y58-Y114 HydrophobicContact CE1-CE2 3.94Å; Y58-Y114 AromaticContact CE1-CG 3.67Å; Y58-Y114 HydrophobicContact CE1-CG 3.67Å; Y58-Y114 HydrophobicContact CE2-CD1 4.47Å; Y58-Y114 HydrophobicContact CE2-CD2 4.08Å; Y58-Y114 AromaticContact CE2-CE1 3.95Å; Y58-Y114 HydrophobicContact CE2-CE1 3.95Å; Y58-Y114 AromaticContact CE2-CE2 3.5Å; Y58-Y114 HydrophobicContact CE2-CE2 3.5Å; Y58-Y114 AromaticContact CE2-CZ 3.43Å; Y58-Y114 VanDerWaalsContact CE2-CZ 3.43Å; Y58-Y114 AromaticContact CG-CD1 3.52Å; Y58-Y114 HydrophobicContact CG-CD1 3.52Å; Y58-Y114 HydrophobicContact CG-CD2 4.4Å; Y58-Y114 AromaticContact CG-CE1 3.38Å; Y58-Y114 HydrophobicContact CG-CE1 3.38Å; Y58-Y114 HydrophobicContact CG-CE2 4.29Å; Y58-Y114 HydrophobicContact CG-CG 4.05Å; Y58-Y114 AromaticContact CG-CZ 3.8Å; Y58-Y114 AromaticContact CZ-CD2 3.63Å; Y58-Y114 AromaticContact CZ-CE2 3.5Å; Y58-Y114 AromaticContact CZ-CZ 3.89Å |
| 59 | G | 88.7 | Confident | 88.9 | Confident | 38 Ų | 38 | 73.6 Ų | 73.6 | 39% | 0.392 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -72.2 | 171.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | D61 A62 I63 | G59-D61 VanDerWaalsContact C-N 3.26Å; G59-D61 PolarHBondContact O-N 2.94Å; G59-A62 WeakPolarHBondContact O-CB 3.22Å; G59-A62 PolarHBondContact O-N 3.27Å; G59-A62 VanDerWaalsContact O-N 3.08Å; G59-I63 PolarHBondContact O-N 3.48Å; G59-I63 VanDerWaalsContact O-N 3.15Å |
| 60 | K | 88.1 | Confident | 87.9 | Confident | 158 Ų | 158 | 76.3 Ų | 76.3 | 69% | 0.687 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -58.2 | -38.8 | 176.9 | -172.2 | 178.2 | 177.6 | -177.4 | 0 | 112.5 | A62 I63 D64 | K60-A62 VanDerWaalsContact C-N 3.25Å; K60-A62 PolarHBondContact O-N 2.78Å; K60-I63 WeakPolarHBondContact O-CB 3.17Å; K60-I63 PolarHBondContact O-N 2.85Å; K60-I63 VanDerWaalsContact O-N 3.09Å; K60-D64 PolarHBondContact O-N 3.16Å |
| 61 | D | 89.9 | Confident | 87 | Confident | 137 Ų | 137 | 75.9 Ų | 75.9 | 73% | 0.733 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -60.4 | -36.9 | 177.5 | -60.2 | -21.6 | 0 | 0 | 0 | 111.8 | G59 A65 | G59-D61 VanDerWaalsContact C-N 3.26Å; G59-D61 PolarHBondContact O-N 2.94Å; D61-A65 VanDerWaalsContact O-CB 3.26Å; D61-A65 WeakPolarHBondContact O-CB 3.36Å; D61-A65 PolarHBondContact O-N 2.68Å |
| 62 | A | 90 | Very high | 85.9 | Confident | 19 Ų | 19 | 78.3 Ų | 78.3 | 16% | 0.157 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -68.4 | -43.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111 | I57 G59 K60 D64 A65 Y66 Y79 | I57-A62 WeakPolarHBondContact O-CB 3.5Å; G59-A62 WeakPolarHBondContact O-CB 3.22Å; G59-A62 PolarHBondContact O-N 3.27Å; G59-A62 VanDerWaalsContact O-N 3.08Å; K60-A62 VanDerWaalsContact C-N 3.25Å; K60-A62 PolarHBondContact O-N 2.78Å; A62-D64 VanDerWaalsContact C-N 3.32Å; A62-D64 PolarHBondContact O-N 3.34Å; A62-A65 PolarHBondContact O-N 2.97Å; A62-Y66 VanDerWaalsContact O-CD2 3.26Å; A62-Y66 WeakPolarHBondContact O-CD2 3.4Å; A62-Y66 PolarHBondContact O-N 3.07Å; A62-Y79 HydrophobicContact CB-CD2 4.26Å; A62-Y79 HydrophobicContact CB-CE2 4.08Å |
| 63 | I | 90.3 | Very high | 85 | Confident | 25 Ų | 25 | 77.7 Ų | 77.7 | 13% | 0.128 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -56.6 | -49.1 | 175.8 | -61.6 | 172.3 | 0 | 0 | 0 | 110.4 | G59 K60 A65 Y66 R67 Y79 Y118 A121 I122 | G59-I63 PolarHBondContact O-N 3.48Å; G59-I63 VanDerWaalsContact O-N 3.15Å; K60-I63 WeakPolarHBondContact O-CB 3.17Å; K60-I63 PolarHBondContact O-N 2.85Å; K60-I63 VanDerWaalsContact O-N 3.09Å; I63-A65 VanDerWaalsContact C-N 3.33Å; I63-A65 PolarHBondContact O-N 3.49Å; I63-Y66 PolarHBondContact O-N 2.87Å; I63-R67 WeakPolarHBondContact O-CB 3.4Å; I63-R67 PolarHBondContact O-N 2.87Å; I63-Y79 HydrophobicContact CG1-CD2 4.28Å; I63-Y79 HydrophobicContact CG1-CE2 3.67Å; I63-Y118 HydrophobicContact CB-CD2 4.43Å; I63-Y118 HydrophobicContact CB-CE2 4.42Å; I63-Y118 HydrophobicContact CG1-CD2 4.17Å; I63-Y118 HydrophobicContact CG2-CD2 4.1Å; I63-Y118 HydrophobicContact CG2-CE2 3.98Å; I63-A121 HydrophobicContact CD1-CB 3.77Å; I63-A121 HydrophobicContact CG2-CB 4.03Å; I63-I122 HydrophobicContact CG2-CG2 4.23Å |
| 64 | D | 89.4 | Confident | 84.6 | Confident | 88 Ų | 88 | 72.4 Ų | 72.4 | 47% | 0.471 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.1 | -33.8 | 179.6 | -72.4 | -30 | 0 | 0 | 0 | 112.4 | K60 A62 | K60-D64 PolarHBondContact O-N 3.16Å; A62-D64 VanDerWaalsContact C-N 3.32Å; A62-D64 PolarHBondContact O-N 3.34Å |
| 65 | A | 87.7 | Confident | 84.6 | Confident | 47 Ų | 47 | 64.8 Ų | 64.8 | 39% | 0.388 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.6 | -38.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | D61 A62 I63 R69 N74 | D61-A65 VanDerWaalsContact O-CB 3.26Å; D61-A65 WeakPolarHBondContact O-CB 3.36Å; D61-A65 PolarHBondContact O-N 2.68Å; A62-A65 PolarHBondContact O-N 2.97Å; I63-A65 VanDerWaalsContact C-N 3.33Å; I63-A65 PolarHBondContact O-N 3.49Å; A65-R69 VanDerWaalsContact O-CG 3.24Å; A65-R69 WeakPolarHBondContact O-CG 3.4Å; A65-N74 PolarHBondContact O-ND2 3.35Å |
| 66 | Y | 90 | Very high | 84.8 | Confident | 22 Ų | 22 | 63.4 Ų | 63.4 | 9% | 0.086 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -88.8 | -16.9 | -177.5 | -77.1 | -89.8 | 0 | 0 | 0 | 114.3 | A62 I63 G68 R69 N74 P75 H77 A80 Y118 | A62-Y66 VanDerWaalsContact O-CD2 3.26Å; A62-Y66 WeakPolarHBondContact O-CD2 3.4Å; A62-Y66 PolarHBondContact O-N 3.07Å; I63-Y66 PolarHBondContact O-N 2.87Å; Y66-G68 PolarHBondContact O-N 2.9Å; Y66-R69 PolarHBondContact O-N 3.4Å; Y66-N74 WeakPolarHBondContact CA-ND2 3.29Å; Y66-N74 HydrophobicContact CD1-CB 3.79Å; Y66-N74 HydrophobicContact CE1-CB 3.29Å; Y66-N74 HydrophobicContact CE2-CB 4.5Å; Y66-P75 VanDerWaalsContact CE1-O 3.29Å; Y66-P75 WeakPolarHBondContact CE1-O 3.21Å; Y66-P75 WeakPolarHBondContact OH-CD 3.48Å; Y66-P75 PolarHBondContact OH-O 2.81Å; Y66-H77 HydrophobicContact CD1-CB 4.35Å; Y66-H77 HydrophobicContact CE1-CB 3.55Å; Y66-H77 HydrophobicContact CE2-CB 3.98Å; Y66-H77 AromaticContact CZ-CG 3.95Å; Y66-H77 WeakPolarHBondContact OH-CB 3.34Å; Y66-A80 HydrophobicContact CD1-CB 3.76Å; Y66-A80 HydrophobicContact CE1-CB 3.89Å; Y66-Y118 PolarHBondContact O-OH 3.1Å |
| 67 | R | 88.5 | Confident | 85 | Confident | 118 Ų | 118 | 55.7 Ų | 55.7 | 45% | 0.445 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 120.2 | -177.8 | -168.3 | 178.6 | -170.9 | -176.9 | 5.6 | 113.2 | I63 R69 Y118 I122 | I63-R67 WeakPolarHBondContact O-CB 3.4Å; I63-R67 PolarHBondContact O-N 2.87Å; R67-R69 PolarHBondContact O-N 3.01Å; R67-Y118 VanDerWaalsContact CA-OH 3.28Å; R67-Y118 WeakPolarHBondContact CA-OH 3.4Å; R67-Y118 PolarHBondContact N-OH 2.61Å; R67-I122 HydrophobicContact CG-CG2 4.27Å; R67-I122 PolarHBondContact NH2-O 2.78Å |
| 68 | G | 80.7 | Confident | 85.3 | Confident | 38 Ų | 38 | 53.3 Ų | 53.3 | 39% | 0.392 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.9 | 12.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y66 D83 | Y66-G68 PolarHBondContact O-N 2.9Å; G68-D83 WeakPolarHBondContact CA-OD2 3.36Å; G68-D83 VanDerWaalsContact N-CG 3.34Å; G68-D83 PolarHBondContact N-OD1 3.47Å; G68-D83 PolarHBondContact N-OD2 2.82Å; G68-D83 VanDerWaalsContact N-OD2 3.13Å |
| 69 | R | 79.7 | Confident | 85.4 | Confident | 127 Ų | 127 | 51.5 Ų | 51.5 | 48% | 0.479 | 27% | 0.269 | S | S | . | . | trans | -93.9 | 148.6 | -179.6 | -58.3 | -62.7 | 176.8 | 177.4 | 0.9 | 110.7 | A65 Y66 R67 E73 D83 K87 | A65-R69 VanDerWaalsContact O-CG 3.24Å; A65-R69 WeakPolarHBondContact O-CG 3.4Å; Y66-R69 PolarHBondContact O-N 3.4Å; R67-R69 PolarHBondContact O-N 3.01Å; R69-E73 HydrophobicContact CB-CB 4.22Å; R69-E73 WeakPolarHBondContact CD-OE2 3.36Å; R69-E73 IonicContact NH1-OE2 2.85Å; R69-D83 PolarHBondContact N-OD2 2.98Å; R69-K87 PolarHBondContact O-NZ 3.29Å | ||
| 70 | E | 74.8 | Confident | 85.6 | Confident | 59 Ų | 59 | 50 Ų | 50 | 28% | 0.276 | 25% | 0.252 | S | S | . | . | trans | -75 | 153.9 | 170.8 | -59.7 | -53.7 | 143.5 | 0 | 0 | 111.8 | Y72 E73 K87 R91 | E70-Y72 HydrophobicContact CB-CD1 3.96Å; E70-Y72 HydrophobicContact CB-CE1 3.51Å; E70-Y72 HydrophobicContact CB-CE2 4.3Å; E70-Y72 HydrophobicContact CG-CE1 4.15Å; E70-Y72 PolarHBondContact O-N 3.47Å; E70-E73 HydrophobicContact CB-CG 4.15Å; E70-E73 PolarHBondContact N-OE1 3.36Å; E70-E73 WeakPolarHBondContact O-CB 3.49Å; E70-E73 PolarHBondContact O-N 3.44Å; E70-K87 IonicContact OE1-NZ 3.69Å; E70-K87 PolarHBondContact OE1-NZ 3.34Å; E70-K87 IonicContact OE2-NZ 3Å; E70-K87 PolarHBondContact OE2-NZ 2.91Å; E70-R91 IonicContact OE1-NH1 3.28Å | ||
| 71 | L | 73.7 | Confident | 85.7 | Confident | 21 Ų | 21 | 42.4 Ų | 42.4 | 11% | 0.11 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | -36.8 | -175.8 | -84.4 | 145.3 | 0 | 0 | 0 | 113.6 | Y41 E44 A80 V81 A84 | Y41-L71 HydrophobicContact CE1-CD2 3.83Å; Y41-L71 VanDerWaalsContact CE2-O 3.29Å; Y41-L71 WeakPolarHBondContact CE2-O 3.3Å; Y41-L71 PolarHBondContact OH-O 3.49Å; E44-L71 HydrophobicContact CB-CD1 4.41Å; E44-L71 HydrophobicContact CG-CD1 4.17Å; L71-A80 HydrophobicContact CD2-CB 3.88Å; L71-V81 HydrophobicContact CD2-CG2 4.09Å; L71-A84 HydrophobicContact CD1-CB 3.82Å; L71-A84 HydrophobicContact CG-CB 4.15Å |
| 72 | Y | 69.4 | Low | 85.9 | Confident | 68 Ų | 68 | 35.9 Ų | 35.9 | 27% | 0.267 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -7.9 | -177.5 | 58.1 | -97.3 | 0 | 0 | 0 | 114.9 | M1 E70 Q631 R635 | M1-Y72 PolarHBondContact N-O 2.78Å; E70-Y72 HydrophobicContact CB-CD1 3.96Å; E70-Y72 HydrophobicContact CB-CE1 3.51Å; E70-Y72 HydrophobicContact CB-CE2 4.3Å; E70-Y72 HydrophobicContact CG-CE1 4.15Å; E70-Y72 PolarHBondContact O-N 3.47Å; Y72-Q631 VanDerWaalsContact CE2-OE1 3.28Å; Y72-Q631 PolarHBondContact OH-NE2 3.39Å; Y72-Q631 VanDerWaalsContact OH-NE2 3.12Å; Y72-R635 VanDerWaalsContact CZ-NH1 3.25Å; Y72-R635 PolarHBondContact OH-NH1 2.88Å |
| 73 | E | 69.9 | Low | 85.9 | Confident | 42 Ų | 42 | 35.2 Ų | 35.2 | 20% | 0.196 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -37.2 | 179 | -71.5 | 179.9 | -150.1 | 0 | 0 | 111.5 | R69 E70 R635 | R69-E73 HydrophobicContact CB-CB 4.22Å; R69-E73 WeakPolarHBondContact CD-OE2 3.36Å; R69-E73 IonicContact NH1-OE2 2.85Å; E70-E73 HydrophobicContact CB-CG 4.15Å; E70-E73 PolarHBondContact N-OE1 3.36Å; E70-E73 WeakPolarHBondContact O-CB 3.49Å; E70-E73 PolarHBondContact O-N 3.44Å; E73-R635 IonicContact OE1-CZ 3.79Å; E73-R635 IonicContact OE1-NH1 3.05Å; E73-R635 PolarHBondContact OE1-NH1 3.19Å; E73-R635 IonicContact OE1-NH2 2.57Å; E73-R635 PolarHBondContact OE1-NH2 3.5Å |
| 74 | N | 82.2 | Confident | 85.9 | Confident | 31 Ų | 31 | 34.4 Ų | 34.4 | 17% | 0.166 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -116 | 165 | -177 | -70.2 | -21.5 | 0 | 0 | 0 | 111.9 | A65 Y66 | A65-N74 PolarHBondContact O-ND2 3.35Å; Y66-N74 WeakPolarHBondContact CA-ND2 3.29Å; Y66-N74 HydrophobicContact CD1-CB 3.79Å; Y66-N74 HydrophobicContact CE1-CB 3.29Å; Y66-N74 HydrophobicContact CE2-CB 4.5Å |
| 75 | P | 87.1 | Confident | 85.9 | Confident | 27 Ų | 27 | 30.2 Ų | 30.2 | 18% | 0.175 | 15% | 0.152 | C | C | . | . | trans | -59.8 | 161.6 | 174.2 | -20.7 | 33.2 | 0 | 0 | 0 | 112.2 | L4 E5 Y41 Y66 H77 | L4-P75 HydrophobicContact CB-CG 3.86Å; L4-P75 HydrophobicContact CD1-CG 4.17Å; E5-P75 HydrophobicContact CG-CB 4.4Å; E5-P75 HydrophobicContact CG-CG 4.46Å; Y41-P75 PolarHBondContact OH-O 2.96Å; Y66-P75 VanDerWaalsContact CE1-O 3.29Å; Y66-P75 WeakPolarHBondContact CE1-O 3.21Å; Y66-P75 WeakPolarHBondContact OH-CD 3.48Å; Y66-P75 PolarHBondContact OH-O 2.81Å; P75-H77 PolarHBondContact O-N 3.41Å | ||
| 76 | P | 91.9 | Very high | 86.1 | Confident | 7 Ų | 7 | 28.8 Ų | 28.8 | 5% | 0.045 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -52 | 125.4 | 175.1 | -24.3 | 32.8 | 0 | 0 | 0 | 113.6 | S12 Y39 Y41 | S12-P76 WeakPolarHBondContact O-CG 3.45Å; Y39-P76 VanDerWaalsContact CB-O 3.24Å; Y39-P76 WeakPolarHBondContact CB-O 3.27Å; Y39-P76 WeakPolarHBondContact O-CB 3.44Å; Y41-P76 HydrophobicContact CD1-CB 4.13Å; Y41-P76 HydrophobicContact CD2-CB 3.99Å; Y41-P76 HydrophobicContact CD2-CG 3.66Å; Y41-P76 HydrophobicContact CE1-CB 4.12Å; Y41-P76 HydrophobicContact CE2-CB 3.99Å; Y41-P76 HydrophobicContact CE2-CG 3.87Å; Y41-P76 HydrophobicContact CG-CB 4.06Å; Y41-P76 HydrophobicContact CG-CG 4.06Å |
| 77 | H | 93.5 | Very high | 85.9 | Confident | 9 Ų | 9 | 28.5 Ų | 28.5 | 4% | 0.042 | 14% | 0.136 | C | C | . | . | trans | -161 | 153 | 178.5 | -159.5 | -100.6 | 0 | 0 | 0 | 112.3 | Y39 I57 Y58 Y66 P75 Y79 A80 | Y39-H77 AromaticContact CD2-CD2 3.67Å; Y39-H77 AromaticContact CE2-CD2 3.67Å; Y39-H77 AromaticContact CE2-NE2 3.86Å; I57-H77 PolarHBondContact O-NE2 3.43Å; Y58-H77 AromaticContact CD1-CE1 3.89Å; Y58-H77 AromaticContact CD1-NE2 3.97Å; Y58-H77 AromaticContact CE1-CE1 3.98Å; Y58-H77 AromaticContact CE1-NE2 3.82Å; Y66-H77 HydrophobicContact CD1-CB 4.35Å; Y66-H77 HydrophobicContact CE1-CB 3.55Å; Y66-H77 HydrophobicContact CE2-CB 3.98Å; Y66-H77 AromaticContact CZ-CG 3.95Å; Y66-H77 WeakPolarHBondContact OH-CB 3.34Å; P75-H77 PolarHBondContact O-N 3.41Å; H77-Y79 VanDerWaalsContact C-N 3.25Å; H77-Y79 AromaticContact CE1-CD1 3.87Å; H77-Y79 AromaticContact CE1-CD2 3.43Å; H77-Y79 VanDerWaalsContact CE1-CD2 3.43Å; H77-Y79 WeakPolarHBondContact CE1-CD2 3.42Å; H77-Y79 AromaticContact CE1-CE2 3.77Å; H77-Y79 AromaticContact CE1-CG 3.5Å; H77-Y79 VanDerWaalsContact CE1-CG 3.5Å; H77-Y79 VanDerWaalsContact ND1-CB 3.34Å; H77-Y79 WeakPolarHBondContact ND1-CB 3.24Å; H77-Y79 AromaticContact ND1-CD1 3.89Å; H77-Y79 AromaticContact ND1-CD2 3.53Å; H77-Y79 AromaticContact ND1-CG 3.28Å; H77-Y79 VanDerWaalsContact ND1-CG 3.28Å; H77-Y79 PolarHBondContact ND1-N 3.35Å; H77-Y79 VanDerWaalsContact ND1-N 3.14Å; H77-Y79 PolarHBondContact O-N 3.22Å; H77-A80 WeakPolarHBondContact O-CB 3.27Å; H77-A80 PolarHBondContact O-N 3.12Å; H77-A80 VanDerWaalsContact O-N 3.15Å | ||
| 78 | L | 94.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -58.7 | -37.7 | 174.5 | -68.5 | 178.6 | 0 | 0 | 0 | 112.7 | Y39 V46 A80 V81 S82 A111 I115 V588 | Y39-L78 HydrophobicContact CD1-CG 4.48Å; Y39-L78 HydrophobicContact CE1-CD1 4.12Å; Y39-L78 HydrophobicContact CE1-CD2 3.97Å; Y39-L78 HydrophobicContact CE1-CG 3.62Å; Y39-L78 HydrophobicContact CE2-CG 4.38Å; Y39-L78 WeakPolarHBondContact OH-CD1 3.37Å; Y39-L78 WeakPolarHBondContact OH-CG 3.47Å; V46-L78 HydrophobicContact CG1-CD2 4.29Å; L78-A80 PolarHBondContact O-N 3.03Å; L78-V81 PolarHBondContact O-N 3.02Å; L78-V81 VanDerWaalsContact O-N 3.14Å; L78-S82 PolarHBondContact O-N 2.96Å; L78-S82 PolarHBondContact O-OG 3.44Å; L78-A111 HydrophobicContact CD1-CB 3.72Å; L78-A111 HydrophobicContact CD2-CB 4.33Å; L78-I115 HydrophobicContact CB-CG1 4.4Å; L78-V588 HydrophobicContact CD2-CB 4.38Å; L78-V588 HydrophobicContact CD2-CG1 3.57Å; L78-V588 HydrophobicContact CD2-CG2 3.84Å |
| 79 | Y | 94.2 | Very high | 86.2 | Confident | 1 Ų | 1 | 21.3 Ų | 21.3 | 0% | 0.004 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.7 | -29.2 | 179.4 | -64.5 | -11.1 | 0 | 0 | 0 | 112.7 | Y58 A62 I63 H77 S82 D83 Y114 Y118 | Y58-Y79 WeakPolarHBondContact CA-OH 3.13Å; Y58-Y79 WeakPolarHBondContact CB-OH 3.23Å; Y58-Y79 HydrophobicContact CD1-CE1 4.29Å; Y58-Y79 PolarHBondContact O-OH 3.25Å; A62-Y79 HydrophobicContact CB-CD2 4.26Å; A62-Y79 HydrophobicContact CB-CE2 4.08Å; I63-Y79 HydrophobicContact CG1-CD2 4.28Å; I63-Y79 HydrophobicContact CG1-CE2 3.67Å; H77-Y79 VanDerWaalsContact C-N 3.25Å; H77-Y79 AromaticContact CE1-CD1 3.87Å; H77-Y79 AromaticContact CE1-CD2 3.43Å; H77-Y79 VanDerWaalsContact CE1-CD2 3.43Å; H77-Y79 WeakPolarHBondContact CE1-CD2 3.42Å; H77-Y79 AromaticContact CE1-CE2 3.77Å; H77-Y79 AromaticContact CE1-CG 3.5Å; H77-Y79 VanDerWaalsContact CE1-CG 3.5Å; H77-Y79 VanDerWaalsContact ND1-CB 3.34Å; H77-Y79 WeakPolarHBondContact ND1-CB 3.24Å; H77-Y79 AromaticContact ND1-CD1 3.89Å; H77-Y79 AromaticContact ND1-CD2 3.53Å; H77-Y79 AromaticContact ND1-CG 3.28Å; H77-Y79 VanDerWaalsContact ND1-CG 3.28Å; H77-Y79 PolarHBondContact ND1-N 3.35Å; H77-Y79 VanDerWaalsContact ND1-N 3.14Å; H77-Y79 PolarHBondContact O-N 3.22Å; Y79-S82 PolarHBondContact O-N 3.42Å; Y79-D83 WeakPolarHBondContact O-CB 3.41Å; Y79-D83 PolarHBondContact O-N 3.07Å; Y79-Y114 WeakPolarHBondContact CE1-O 3.34Å; Y79-Y118 AromaticContact CD1-CD2 3.51Å; Y79-Y118 HydrophobicContact CD1-CD2 3.51Å; Y79-Y118 HydrophobicContact CD1-CE2 4.45Å; Y79-Y118 AromaticContact CD1-CG 3.7Å; Y79-Y118 HydrophobicContact CD1-CG 3.7Å; Y79-Y118 AromaticContact CD2-CD2 3.67Å; Y79-Y118 HydrophobicContact CD2-CD2 3.67Å; Y79-Y118 HydrophobicContact CD2-CE2 4.09Å; Y79-Y118 HydrophobicContact CE1-CD2 4.05Å; Y79-Y118 HydrophobicContact CE1-CG 4.23Å; Y79-Y118 HydrophobicContact CE2-CD2 4.18Å; Y79-Y118 AromaticContact CG-CD2 3.29Å; Y79-Y118 HydrophobicContact CG-CD2 3.29Å; Y79-Y118 AromaticContact CG-CE2 3.83Å; Y79-Y118 HydrophobicContact CG-CE2 3.83Å; Y79-Y118 AromaticContact CG-CG 3.92Å; Y79-Y118 HydrophobicContact CG-CG 3.92Å |
| 80 | A | 91.4 | Very high | 86.4 | Confident | 5 Ų | 5 | 19.9 Ų | 19.9 | 4% | 0.041 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -66.7 | -41.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y41 Y66 L71 H77 L78 D83 A84 | Y41-A80 WeakPolarHBondContact OH-CB 3.37Å; Y66-A80 HydrophobicContact CD1-CB 3.76Å; Y66-A80 HydrophobicContact CE1-CB 3.89Å; L71-A80 HydrophobicContact CD2-CB 3.88Å; H77-A80 WeakPolarHBondContact O-CB 3.27Å; H77-A80 PolarHBondContact O-N 3.12Å; H77-A80 VanDerWaalsContact O-N 3.15Å; L78-A80 PolarHBondContact O-N 3.03Å; A80-D83 PolarHBondContact O-N 2.87Å; A80-A84 VanDerWaalsContact O-CB 3.32Å; A80-A84 WeakPolarHBondContact O-CB 3.25Å; A80-A84 PolarHBondContact O-N 2.92Å |
| 81 | V | 92 | Very high | 86.8 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -67.7 | -40.7 | 175.3 | 177 | 0 | 0 | 0 | 0 | 110.8 | V46 L71 L78 A84 A85 I98 Y586 | V46-V81 HydrophobicContact CB-CG2 4.1Å; V46-V81 HydrophobicContact CG2-CG2 3.28Å; L71-V81 HydrophobicContact CD2-CG2 4.09Å; L78-V81 PolarHBondContact O-N 3.02Å; L78-V81 VanDerWaalsContact O-N 3.14Å; V81-A84 PolarHBondContact O-N 3.23Å; V81-A85 WeakPolarHBondContact O-CB 3.23Å; V81-A85 PolarHBondContact O-N 2.84Å; V81-I98 HydrophobicContact CG1-CG2 4.47Å; V81-Y586 HydrophobicContact CG1-CD1 4.24Å; V81-Y586 HydrophobicContact CG1-CG 4.23Å |
| 82 | S | 92.8 | Very high | 87 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.7 | -41.3 | 176.3 | -55 | 0 | 0 | 0 | 0 | 112.2 | L78 Y79 Y86 I115 | L78-S82 PolarHBondContact O-N 2.96Å; L78-S82 PolarHBondContact O-OG 3.44Å; Y79-S82 PolarHBondContact O-N 3.42Å; S82-Y86 WeakPolarHBondContact O-CB 3.24Å; S82-Y86 PolarHBondContact O-N 2.87Å; S82-I115 WeakPolarHBondContact OG-CG1 3.32Å |
| 83 | D | 91.2 | Very high | 87.6 | Confident | 4 Ų | 4 | 30.4 Ų | 30.4 | 2% | 0.021 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -68 | -40.4 | 175.4 | -161.1 | 80.5 | 0 | 0 | 0 | 111.7 | G68 R69 Y79 A80 Y86 K87 Y118 | G68-D83 WeakPolarHBondContact CA-OD2 3.36Å; G68-D83 VanDerWaalsContact N-CG 3.34Å; G68-D83 PolarHBondContact N-OD1 3.47Å; G68-D83 PolarHBondContact N-OD2 2.82Å; G68-D83 VanDerWaalsContact N-OD2 3.13Å; R69-D83 PolarHBondContact N-OD2 2.98Å; Y79-D83 WeakPolarHBondContact O-CB 3.41Å; Y79-D83 PolarHBondContact O-N 3.07Å; A80-D83 PolarHBondContact O-N 2.87Å; D83-Y86 PolarHBondContact O-N 3.2Å; D83-K87 VanDerWaalsContact O-CB 3.31Å; D83-K87 WeakPolarHBondContact O-CB 3.35Å; D83-K87 WeakPolarHBondContact O-CE 3.37Å; D83-K87 VanDerWaalsContact O-CG 3.25Å; D83-K87 WeakPolarHBondContact O-CG 3.17Å; D83-K87 PolarHBondContact O-N 3.34Å; D83-K87 VanDerWaalsContact OD2-CD 3.24Å; D83-K87 WeakPolarHBondContact OD2-CD 3.29Å; D83-K87 WeakPolarHBondContact OD2-CE 3.43Å; D83-K87 IonicContact OD2-NZ 3.95Å; D83-Y118 HydrophobicContact CB-CE1 3.82Å; D83-Y118 WeakPolarHBondContact CB-OH 3.31Å; D83-Y118 PolarHBondContact OD1-OH 3.48Å |
| 84 | A | 88.6 | Confident | 88.2 | Confident | 8 Ų | 8 | 32.7 Ų | 32.7 | 7% | 0.066 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.5 | -49.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L71 A80 V81 K87 A88 Y586 | L71-A84 HydrophobicContact CD1-CB 3.82Å; L71-A84 HydrophobicContact CG-CB 4.15Å; A80-A84 VanDerWaalsContact O-CB 3.32Å; A80-A84 WeakPolarHBondContact O-CB 3.25Å; A80-A84 PolarHBondContact O-N 2.92Å; V81-A84 PolarHBondContact O-N 3.23Å; A84-K87 PolarHBondContact O-N 2.84Å; A84-A88 WeakPolarHBondContact O-CB 3.44Å; A84-A88 PolarHBondContact O-N 3.36Å; A84-Y586 HydrophobicContact CB-CD1 4.41Å; A84-Y586 HydrophobicContact CB-CE1 3.78Å; A84-Y586 PolarHBondContact O-OH 2.98Å |
| 85 | A | 91.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.2 | -48.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | V81 K87 A88 M89 T96 I98 Y586 | V81-A85 WeakPolarHBondContact O-CB 3.23Å; V81-A85 PolarHBondContact O-N 2.84Å; A85-K87 PolarHBondContact O-N 3.39Å; A85-A88 PolarHBondContact O-N 2.99Å; A85-M89 WeakPolarHBondContact O-CB 3.28Å; A85-M89 PolarHBondContact O-N 2.69Å; A85-T96 WeakPolarHBondContact O-CG2 3.24Å; A85-I98 HydrophobicContact CB-CD1 3.95Å; A85-I98 HydrophobicContact CB-CG1 4.05Å; A85-Y586 VanDerWaalsContact CA-CE2 3.43Å; A85-Y586 HydrophobicContact CB-CD2 3.62Å; A85-Y586 HydrophobicContact CB-CE2 3.72Å; A85-Y586 HydrophobicContact CB-CG 4.24Å |
| 86 | Y | 90.3 | Very high | 88.9 | Confident | 18 Ų | 18 | 32.5 Ų | 32.5 | 7% | 0.071 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.7 | -40.4 | 178.2 | -179.1 | -98.3 | 0 | 0 | 0 | 112.9 | S82 D83 M89 K90 I122 F170 G174 I380 | S82-Y86 WeakPolarHBondContact O-CB 3.24Å; S82-Y86 PolarHBondContact O-N 2.87Å; D83-Y86 PolarHBondContact O-N 3.2Å; Y86-M89 HydrophobicContact CD2-CE 3.52Å; Y86-M89 HydrophobicContact CE2-CE 3.61Å; Y86-M89 HydrophobicContact CG-CE 4.39Å; Y86-K90 HydrophobicContact CE1-CD 3.77Å; Y86-K90 VanDerWaalsContact O-CB 3.27Å; Y86-K90 WeakPolarHBondContact O-CB 3.43Å; Y86-K90 PolarHBondContact O-N 3.06Å; Y86-K90 PolarHBondContact OH-NZ 3.16Å; Y86-I122 HydrophobicContact CD1-CD1 3.56Å; Y86-I122 HydrophobicContact CD2-CD1 3.83Å; Y86-I122 HydrophobicContact CE1-CD1 4.01Å; Y86-I122 HydrophobicContact CE2-CD1 4.25Å; Y86-I122 HydrophobicContact CG-CD1 3.45Å; Y86-I122 VanDerWaalsContact CG-CD1 3.45Å; Y86-F170 HydrophobicContact CD2-CE1 4.39Å; Y86-F170 HydrophobicContact CE2-CD1 4.29Å; Y86-F170 HydrophobicContact CE2-CE1 4.1Å; Y86-G174 WeakPolarHBondContact CE2-O 3.29Å; Y86-G174 PolarHBondContact OH-O 3.38Å; Y86-I380 HydrophobicContact CD2-CD1 4.16Å |
| 87 | K | 87.3 | Confident | 88.9 | Confident | 15 Ų | 15 | 32.2 Ų | 32.2 | 7% | 0.065 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68.9 | -42.1 | 177.2 | -76.2 | -177.7 | -56 | 176.2 | 0 | 112.4 | R69 E70 D83 A84 A85 M89 K90 R91 | R69-K87 PolarHBondContact O-NZ 3.29Å; E70-K87 IonicContact OE1-NZ 3.69Å; E70-K87 PolarHBondContact OE1-NZ 3.34Å; E70-K87 IonicContact OE2-NZ 3Å; E70-K87 PolarHBondContact OE2-NZ 2.91Å; D83-K87 VanDerWaalsContact O-CB 3.31Å; D83-K87 WeakPolarHBondContact O-CB 3.35Å; D83-K87 WeakPolarHBondContact O-CE 3.37Å; D83-K87 VanDerWaalsContact O-CG 3.25Å; D83-K87 WeakPolarHBondContact O-CG 3.17Å; D83-K87 PolarHBondContact O-N 3.34Å; D83-K87 VanDerWaalsContact OD2-CD 3.24Å; D83-K87 WeakPolarHBondContact OD2-CD 3.29Å; D83-K87 WeakPolarHBondContact OD2-CE 3.43Å; D83-K87 IonicContact OD2-NZ 3.95Å; A84-K87 PolarHBondContact O-N 2.84Å; A85-K87 PolarHBondContact O-N 3.39Å; K87-M89 VanDerWaalsContact C-N 3.3Å; K87-K90 PolarHBondContact O-N 3.31Å; K87-R91 VanDerWaalsContact O-CB 3.24Å; K87-R91 WeakPolarHBondContact O-CB 3.17Å; K87-R91 WeakPolarHBondContact O-CG 3.29Å; K87-R91 PolarHBondContact O-N 3.37Å |
| 88 | A | 85.4 | Confident | 88.9 | Confident | 4 Ų | 4 | 31.8 Ų | 31.8 | 3% | 0.033 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.8 | -46.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | A84 A85 R92 T96 Y586 | A84-A88 WeakPolarHBondContact O-CB 3.44Å; A84-A88 PolarHBondContact O-N 3.36Å; A85-A88 PolarHBondContact O-N 2.99Å; A88-R92 WeakPolarHBondContact O-CA 3.44Å; A88-R92 VanDerWaalsContact O-CB 3.25Å; A88-R92 WeakPolarHBondContact O-CB 3.25Å; A88-R92 PolarHBondContact O-N 3.17Å; A88-T96 HydrophobicContact CB-CG2 3.85Å; A88-Y586 VanDerWaalsContact CB-OH 3.29Å; A88-Y586 WeakPolarHBondContact CB-OH 3.34Å |
| 89 | M | 89.1 | Confident | 88.7 | Confident | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -56.1 | -54.5 | 173.4 | 179.6 | -81.2 | -73.4 | 0 | 0 | 112.6 | A85 Y86 K87 A93 K94 T96 F170 T378 I380 | A85-M89 WeakPolarHBondContact O-CB 3.28Å; A85-M89 PolarHBondContact O-N 2.69Å; Y86-M89 HydrophobicContact CD2-CE 3.52Å; Y86-M89 HydrophobicContact CE2-CE 3.61Å; Y86-M89 HydrophobicContact CG-CE 4.39Å; K87-M89 VanDerWaalsContact C-N 3.3Å; M89-A93 VanDerWaalsContact O-CA 3.28Å; M89-A93 WeakPolarHBondContact O-CA 3.41Å; M89-A93 PolarHBondContact O-N 3.29Å; M89-A93 VanDerWaalsContact O-N 3.13Å; M89-K94 VanDerWaalsContact CA-O 3.25Å; M89-K94 WeakPolarHBondContact CA-O 3.23Å; M89-T96 HydrophobicContact CB-CG2 4.08Å; M89-F170 HydrophobicContact CE-CB 3.79Å; M89-F170 HydrophobicContact CE-CD1 3.65Å; M89-F170 HydrophobicContact CE-CD2 3.73Å; M89-F170 HydrophobicContact CE-CE1 4.15Å; M89-F170 HydrophobicContact CE-CE2 4.24Å; M89-F170 HydrophobicContact CE-CG 3.42Å; M89-F170 VanDerWaalsContact CE-CG 3.42Å; M89-F170 HydrophobicContact CE-CZ 4.43Å; M89-F170 HydrophobicContact SD-CB 3.94Å; M89-F170 HydrophobicContact SD-CD2 4.48Å; M89-F170 HydrophobicContact SD-CG 4.18Å; M89-T378 HydrophobicContact CG-CG2 4.41Å; M89-T378 WeakPolarHBondContact CG-OG1 3.47Å; M89-T378 PolarHBondContact SD-OG1 2.61Å; M89-I380 HydrophobicContact CB-CD1 4.46Å; M89-I380 HydrophobicContact CB-CG1 4.25Å; M89-I380 HydrophobicContact CE-CD1 3.9Å; M89-I380 HydrophobicContact CE-CG1 4.26Å; M89-I380 HydrophobicContact CG-CG1 4.1Å |
| 90 | K | 84.3 | Confident | 88.5 | Confident | 96 Ų | 96 | 32.2 Ų | 32.2 | 42% | 0.417 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -72.7 | -41.3 | -173.3 | -175 | 171.1 | -170.7 | 158.4 | 0 | 114.1 | Y86 K87 N173 | Y86-K90 HydrophobicContact CE1-CD 3.77Å; Y86-K90 VanDerWaalsContact O-CB 3.27Å; Y86-K90 WeakPolarHBondContact O-CB 3.43Å; Y86-K90 PolarHBondContact O-N 3.06Å; Y86-K90 PolarHBondContact OH-NZ 3.16Å; K87-K90 PolarHBondContact O-N 3.31Å; K90-N173 VanDerWaalsContact CE-O 3.3Å; K90-N173 WeakPolarHBondContact CE-O 3.18Å; K90-N173 PolarHBondContact NZ-O 3.03Å |
| 91 | R | 82.4 | Confident | 88.3 | Confident | 166 Ų | 166 | 32.2 Ų | 32.2 | 63% | 0.626 | 15% | 0.151 | S | C | * | . | H | α-helix | trans | -88.9 | -34.1 | -172.8 | -63.2 | -179.1 | -179.8 | 165.5 | 1.9 | 112.8 | E70 K87 | E70-R91 IonicContact OE1-NH1 3.28Å; K87-R91 VanDerWaalsContact O-CB 3.24Å; K87-R91 WeakPolarHBondContact O-CB 3.17Å; K87-R91 WeakPolarHBondContact O-CG 3.29Å; K87-R91 PolarHBondContact O-N 3.37Å |
| 92 | R | 78.9 | Confident | 88 | Confident | 135 Ų | 135 | 32.3 Ų | 32.3 | 51% | 0.509 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -102.1 | -5.6 | -176.5 | -53.8 | 177.6 | 178.5 | 165.3 | -2 | 113 | A88 K94 E584 | A88-R92 WeakPolarHBondContact O-CA 3.44Å; A88-R92 VanDerWaalsContact O-CB 3.25Å; A88-R92 WeakPolarHBondContact O-CB 3.25Å; A88-R92 PolarHBondContact O-N 3.17Å; R92-K94 HydrophobicContact CB-CB 4.46Å; R92-K94 HydrophobicContact CB-CD 4.47Å; R92-K94 HydrophobicContact CB-CG 4.12Å; R92-K94 PolarHBondContact O-N 3.2Å; R92-E584 IonicContact NH1-OE1 2.85Å; R92-E584 PolarHBondContact NH1-OE1 3.48Å; R92-E584 IonicContact NH1-OE2 3.67Å |
| 93 | A | 81.5 | Confident | 87.4 | Confident | 69 Ų | 69 | 32.9 Ų | 32.9 | 57% | 0.57 | 16% | 0.155 | S | C | * | . | trans | 51.6 | 37.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | M89 | M89-A93 VanDerWaalsContact O-CA 3.28Å; M89-A93 WeakPolarHBondContact O-CA 3.41Å; M89-A93 PolarHBondContact O-N 3.29Å; M89-A93 VanDerWaalsContact O-N 3.13Å | ||
| 94 | K | 83.3 | Confident | 86.7 | Confident | 90 Ų | 90 | 33.5 Ų | 33.5 | 39% | 0.391 | 16% | 0.159 | S | C | . | . | trans | -105 | 137.6 | 177 | -74.2 | -168.9 | 172 | -164.7 | 0 | 109.7 | M89 R92 | M89-K94 VanDerWaalsContact CA-O 3.25Å; M89-K94 WeakPolarHBondContact CA-O 3.23Å; R92-K94 HydrophobicContact CB-CB 4.46Å; R92-K94 HydrophobicContact CB-CD 4.47Å; R92-K94 HydrophobicContact CB-CG 4.12Å; R92-K94 PolarHBondContact O-N 3.2Å | ||
| 95 | D | 90.6 | Very high | 86.2 | Confident | 53 Ų | 53 | 33.7 Ų | 33.7 | 28% | 0.283 | 16% | 0.162 | S | C | . | . | trans | -67.3 | 141.6 | 170.8 | -64.6 | -27.2 | 0 | 0 | 0 | 109.6 | T378 V379 K583 E584 | D95-T378 VanDerWaalsContact OD1-CA 3.29Å; D95-T378 WeakPolarHBondContact OD1-CA 3.31Å; D95-V379 WeakPolarHBondContact CA-O 3.28Å; D95-V379 PolarHBondContact OD1-N 3.38Å; D95-K583 HydrophobicContact CB-CB 4.32Å; D95-K583 HydrophobicContact CB-CD 4.03Å; D95-K583 HydrophobicContact CB-CG 3.75Å; D95-K583 CarbonylContact O-C 3.47Å; D95-K583 WeakPolarHBondContact O-CA 3.42Å; D95-E584 PolarHBondContact O-N 3.14Å | ||
| 96 | T | 92.1 | Very high | 86 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 156 | -178.1 | 62.4 | 0 | 0 | 0 | 0 | 110.4 | A85 A88 M89 V379 I380 G381 E584 Y586 | A85-T96 WeakPolarHBondContact O-CG2 3.24Å; A88-T96 HydrophobicContact CB-CG2 3.85Å; M89-T96 HydrophobicContact CB-CG2 4.08Å; T96-V379 PolarHBondContact N-O 3.36Å; T96-I380 CarbonylContact O-C 3.58Å; T96-I380 WeakPolarHBondContact O-CA 3.28Å; T96-I380 WeakPolarHBondContact OG1-CG1 3.43Å; T96-G381 PolarHBondContact O-N 3.03Å; T96-E584 CarbonylContact C-O 3.59Å; T96-E584 VanDerWaalsContact CA-O 3.24Å; T96-E584 WeakPolarHBondContact CA-O 3.38Å; T96-E584 HydrophobicContact CG2-CB 4.28Å; T96-Y586 HydrophobicContact CG2-CE2 4.04Å |
| 97 | C | 92.3 | Very high | 85.8 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.014 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 145.6 | 170.8 | 67.1 | 0 | 0 | 0 | 0 | 111.6 | G381 L580 K583 E584 P585 Y586 | C97-G381 CarbonylContact C-O 3.59Å; C97-G381 WeakPolarHBondContact CA-O 3.31Å; C97-L580 HydrophobicContact CB-CD2 3.99Å; C97-K583 HydrophobicContact CB-CB 4.2Å; C97-K583 HydrophobicContact CB-CD 4.15Å; C97-E584 PolarHBondContact N-O 3.19Å; C97-P585 CarbonylContact O-C 3.58Å; C97-Y586 PolarHBondContact O-N 2.93Å |
| 98 | I | 93.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 114 | 175.1 | -54.5 | 170.3 | 0 | 0 | 0 | 107.6 | V81 A85 I100 I115 I380 G381 V382 L383 Y586 V588 | V81-I98 HydrophobicContact CG1-CG2 4.47Å; A85-I98 HydrophobicContact CB-CD1 3.95Å; A85-I98 HydrophobicContact CB-CG1 4.05Å; I98-I100 HydrophobicContact CG2-CG1 4.38Å; I98-I115 HydrophobicContact CD1-CG2 3.61Å; I98-I115 HydrophobicContact CG2-CD1 3.96Å; I98-I380 HydrophobicContact CD1-CG2 4.43Å; I98-G381 PolarHBondContact N-O 3.34Å; I98-V382 WeakPolarHBondContact O-CA 3.33Å; I98-L383 PolarHBondContact O-N 2.85Å; I98-Y586 CarbonylContact C-O 3.56Å; I98-Y586 VanDerWaalsContact CA-O 3.3Å; I98-Y586 WeakPolarHBondContact CA-O 3.28Å; I98-V588 HydrophobicContact CG2-CG2 4.16Å |
| 99 | V | 90.3 | Very high | 85.7 | Confident | 10 Ų | 10 | 35 Ų | 35 | 6% | 0.061 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 116 | -178.6 | 178.4 | 0 | 0 | 0 | 0 | 109.7 | L383 Y586 Y587 V588 | V99-L383 HydrophobicContact CG1-CD2 4.1Å; V99-L383 HydrophobicContact CG2-CB 4.36Å; V99-L383 HydrophobicContact CG2-CD2 4.33Å; V99-Y586 PolarHBondContact N-O 3.23Å; V99-Y587 HydrophobicContact CB-CD1 3.67Å; V99-Y587 HydrophobicContact CB-CE1 3.69Å; V99-Y587 HydrophobicContact CG1-CD1 4.06Å; V99-Y587 HydrophobicContact CG1-CE1 4.03Å; V99-Y587 HydrophobicContact CG2-CD1 4.39Å; V99-Y587 HydrophobicContact CG2-CE1 3.95Å; V99-Y587 WeakPolarHBondContact O-CA 3.26Å; V99-V588 PolarHBondContact O-N 2.85Å |
| 100 | I | 90.8 | Very high | 85.5 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 121.2 | -179.9 | -47.9 | 172.9 | 0 | 0 | 0 | 108.3 | I98 K108 A111 S112 I115 V382 L383 V588 | I98-I100 HydrophobicContact CG2-CG1 4.38Å; I100-K108 HydrophobicContact CG2-CB 3.8Å; I100-K108 HydrophobicContact CG2-CG 4.08Å; I100-A111 HydrophobicContact CG2-CB 4.32Å; I100-S112 VanDerWaalsContact CD1-CA 3.5Å; I100-I115 HydrophobicContact CD1-CD1 3.71Å; I100-I115 HydrophobicContact CG1-CD1 4.26Å; I100-V382 HydrophobicContact CD1-CG1 4.11Å; I100-L383 WeakPolarHBondContact CB-O 3.37Å; I100-L383 PolarHBondContact N-O 3.1Å; I100-V588 WeakPolarHBondContact CA-O 3.31Å; I100-V588 HydrophobicContact CG1-CB 4.26Å; I100-V588 HydrophobicContact CG2-CB 4.3Å; I100-V588 HydrophobicContact CG2-CG1 4.38Å |
| 101 | S | 87.4 | Confident | 85.8 | Confident | 5 Ų | 5 | 34.6 Ų | 34.6 | 4% | 0.035 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 164.3 | -178.2 | 58.5 | 0 | 0 | 0 | 0 | 110.9 | V588 R589 C590 | S101-V588 PolarHBondContact N-O 3.44Å; S101-R589 WeakPolarHBondContact OG-CD 3.24Å; S101-R589 PolarHBondContact OG-NH1 3.46Å; S101-C590 WeakPolarHBondContact O-CB 3.35Å; S101-C590 PolarHBondContact O-N 3.12Å |
| 102 | G | 85.8 | Confident | 86.1 | Confident | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 148.3 | 160.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K108 G387 C590 | G102-K108 WeakPolarHBondContact O-CD 3.21Å; G102-K108 PolarHBondContact O-NZ 3.05Å; G102-G387 WeakPolarHBondContact O-CA 3.32Å; G102-C590 WeakPolarHBondContact CA-O 3.35Å |
| 103 | E | 79.5 | Confident | 86.4 | Confident | 13 Ų | 13 | 22.3 Ų | 22.3 | 6% | 0.061 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -59.6 | 164.9 | 177.1 | -113.6 | 175.7 | -140.7 | 0 | 0 | 112.4 | G105 A106 K108 R606 Y613 | E103-G105 PolarHBondContact O-N 3.21Å; E103-A106 VanDerWaalsContact O-CB 3.23Å; E103-A106 WeakPolarHBondContact O-CB 3.23Å; E103-A106 PolarHBondContact O-N 3.3Å; E103-K108 PolarHBondContact O-NZ 2.79Å; E103-R606 IonicContact OE2-CZ 3.39Å; E103-R606 IonicContact OE2-NE 3.27Å; E103-R606 PolarHBondContact OE2-NE 3.1Å; E103-R606 IonicContact OE2-NH2 3.38Å; E103-R606 PolarHBondContact OE2-NH2 3.35Å; E103-Y613 VanDerWaalsContact CB-OH 3.25Å; E103-Y613 WeakPolarHBondContact CB-OH 3.22Å; E103-Y613 HydrophobicContact CG-CE1 4.11Å; E103-Y613 WeakPolarHBondContact CG-OH 3.48Å; E103-Y613 PolarHBondContact N-OH 2.96Å; E103-Y613 WeakPolarHBondContact OE1-CE1 3.34Å |
| 104 | S | 77.1 | Confident | 86.8 | Confident | 17 Ų | 17 | 21.3 Ų | 21.3 | 12% | 0.119 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 132 | 172.2 | -174.4 | 0 | 0 | 0 | 0 | 110.7 | S159 | S104-S159 PolarHBondContact OG-OG 3Š|
| 105 | G | 77.9 | Confident | 87.1 | Confident | 12 Ų | 12 | 17 Ų | 17 | 12% | 0.124 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | 3.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | N50 E103 G107 | N50-G105 PolarHBondContact ND2-O 3.11Å; E103-G105 PolarHBondContact O-N 3.21Å; G105-G107 VanDerWaalsContact C-N 3.26Å; G105-G107 PolarHBondContact O-N 3.22Å |
| 106 | A | 86.2 | Confident | 86.8 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -75.5 | -6.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | E103 C590 K592 | E103-A106 VanDerWaalsContact O-CB 3.23Å; E103-A106 WeakPolarHBondContact O-CB 3.23Å; E103-A106 PolarHBondContact O-N 3.3Å; A106-C590 HydrophobicContact CB-CB 3.72Å; A106-C590 WeakPolarHBondContact O-CB 3.44Å; A106-K592 HydrophobicContact CB-CB 4.22Å |
| 107 | G | 87.4 | Confident | 86.4 | Confident | 21 Ų | 21 | 18.8 Ų | 18.8 | 22% | 0.216 | 10% | 0.1 | C | C | . | . | S | Bend | trans | 95 | 17.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | G105 T109 E110 A111 | G105-G107 VanDerWaalsContact C-N 3.26Å; G105-G107 PolarHBondContact O-N 3.22Å; G107-T109 PolarHBondContact O-N 3.39Å; G107-E110 PolarHBondContact O-N 3.28Å; G107-A111 PolarHBondContact O-N 2.84Å |
| 108 | K | 87.1 | Confident | 86.2 | Confident | 19 Ų | 19 | 18.7 Ų | 18.7 | 8% | 0.083 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -52.9 | -50.6 | 179.7 | -61.2 | -175 | -68.6 | -75.9 | 0 | 113.7 | I100 G102 E103 E110 A111 S112 D384 I385 C590 | I100-K108 HydrophobicContact CG2-CB 3.8Å; I100-K108 HydrophobicContact CG2-CG 4.08Å; G102-K108 WeakPolarHBondContact O-CD 3.21Å; G102-K108 PolarHBondContact O-NZ 3.05Å; E103-K108 PolarHBondContact O-NZ 2.79Å; K108-E110 VanDerWaalsContact C-N 3.32Å; K108-E110 PolarHBondContact O-N 3.42Å; K108-A111 WeakPolarHBondContact O-CB 3.5Å; K108-A111 PolarHBondContact O-N 2.87Å; K108-S112 PolarHBondContact O-N 2.62Å; K108-D384 WeakPolarHBondContact CB-OD1 3.2Å; K108-I385 WeakPolarHBondContact CD-O 3.21Å; K108-I385 WeakPolarHBondContact CE-O 3.38Å; K108-C590 HydrophobicContact CG-CB 4.19Å |
| 109 | T | 82.4 | Confident | 85.9 | Confident | 24 Ų | 24 | 18.9 Ų | 18.9 | 15% | 0.147 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.7 | -34.7 | -177.6 | -53.5 | 0 | 0 | 0 | 0 | 112.2 | G107 S112 K113 S160 D384 | G107-T109 PolarHBondContact O-N 3.39Å; T109-S112 WeakPolarHBondContact O-CB 3.16Å; T109-S112 PolarHBondContact O-N 3.45Å; T109-K113 WeakPolarHBondContact O-CG 3.49Å; T109-K113 PolarHBondContact O-N 2.88Å; T109-S160 PolarHBondContact OG1-OG 2.66Å; T109-D384 WeakPolarHBondContact CA-OD2 3.41Å; T109-D384 PolarHBondContact OG1-OD2 2.8Å |
| 110 | E | 85.9 | Confident | 85.3 | Confident | 85 Ų | 85 | 19.3 Ų | 19.3 | 40% | 0.397 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -69.1 | -41.4 | 173.3 | -64.8 | -55.6 | 122.3 | 0 | 0 | 111.6 | G107 K108 S112 K113 Y114 | G107-E110 PolarHBondContact O-N 3.28Å; K108-E110 VanDerWaalsContact C-N 3.32Å; K108-E110 PolarHBondContact O-N 3.42Å; E110-S112 VanDerWaalsContact C-N 3.31Å; E110-S112 PolarHBondContact O-N 3.43Å; E110-K113 WeakPolarHBondContact O-CB 3.15Å; E110-K113 PolarHBondContact O-N 2.86Å; E110-K113 IonicContact OE1-NZ 2.64Å; E110-K113 PolarHBondContact OE1-NZ 2.88Å; E110-Y114 HydrophobicContact CB-CE2 4.38Å; E110-Y114 WeakPolarHBondContact O-CD2 3.32Å; E110-Y114 PolarHBondContact O-N 3.45Å |
| 111 | A | 90.9 | Very high | 84.8 | Confident | 4 Ų | 4 | 21.5 Ų | 21.5 | 3% | 0.033 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59 | -43.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L78 I100 G107 K108 K113 Y114 I115 V588 | L78-A111 HydrophobicContact CD1-CB 3.72Å; L78-A111 HydrophobicContact CD2-CB 4.33Å; I100-A111 HydrophobicContact CG2-CB 4.32Å; G107-A111 PolarHBondContact O-N 2.84Å; K108-A111 WeakPolarHBondContact O-CB 3.5Å; K108-A111 PolarHBondContact O-N 2.87Å; A111-K113 PolarHBondContact O-N 2.96Å; A111-Y114 PolarHBondContact O-N 3.47Å; A111-I115 WeakPolarHBondContact O-CD1 3.43Å; A111-I115 VanDerWaalsContact O-CG1 3.28Å; A111-I115 WeakPolarHBondContact O-CG1 3.42Å; A111-I115 PolarHBondContact O-N 2.87Å; A111-V588 HydrophobicContact CB-CG1 4.48Å |
| 112 | S | 87.9 | Confident | 84.5 | Confident | 4 Ų | 4 | 21.5 Ų | 21.5 | 3% | 0.028 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -57.9 | -46.8 | 174.4 | -170.9 | 0 | 0 | 0 | 0 | 111.5 | I100 K108 T109 E110 Y114 I115 M116 | I100-S112 VanDerWaalsContact CD1-CA 3.5Å; K108-S112 PolarHBondContact O-N 2.62Å; T109-S112 WeakPolarHBondContact O-CB 3.16Å; T109-S112 PolarHBondContact O-N 3.45Å; E110-S112 VanDerWaalsContact C-N 3.31Å; E110-S112 PolarHBondContact O-N 3.43Å; S112-Y114 PolarHBondContact O-N 2.83Å; S112-I115 PolarHBondContact O-N 2.87Å; S112-M116 WeakPolarHBondContact O-CB 3.32Å; S112-M116 WeakPolarHBondContact O-CG 3.18Å; S112-M116 PolarHBondContact O-N 2.73Å |
| 113 | K | 84.9 | Confident | 84 | Confident | 39 Ų | 39 | 22 Ų | 22 | 17% | 0.17 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -57.9 | -46.6 | 176 | -72.3 | 169 | -173.4 | 166.3 | 0 | 112.1 | T109 E110 A111 M116 Q117 E146 | T109-K113 WeakPolarHBondContact O-CG 3.49Å; T109-K113 PolarHBondContact O-N 2.88Å; E110-K113 WeakPolarHBondContact O-CB 3.15Å; E110-K113 PolarHBondContact O-N 2.86Å; E110-K113 IonicContact OE1-NZ 2.64Å; E110-K113 PolarHBondContact OE1-NZ 2.88Å; A111-K113 PolarHBondContact O-N 2.96Å; K113-M116 PolarHBondContact O-N 3.04Å; K113-Q117 WeakPolarHBondContact O-CB 3.39Å; K113-Q117 VanDerWaalsContact O-CG 3.25Å; K113-Q117 WeakPolarHBondContact O-CG 3.21Å; K113-Q117 PolarHBondContact O-N 3.03Å; K113-E146 WeakPolarHBondContact CE-OE1 3.33Å; K113-E146 IonicContact NZ-OE1 3.64Å; K113-E146 PolarHBondContact NZ-OE1 2.97Å; K113-E146 IonicContact NZ-OE2 2.89Å |
| 114 | Y | 89.6 | Confident | 83.3 | Confident | 48 Ų | 48 | 24.1 Ų | 24.1 | 19% | 0.188 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -67.2 | -38.6 | 179.8 | -69.1 | -56.5 | 0 | 0 | 0 | 113 | Y58 Y79 E110 A111 S112 Q117 Y118 | Y58-Y114 AromaticContact CD1-CD1 3.54Å; Y58-Y114 HydrophobicContact CD1-CD1 3.54Å; Y58-Y114 HydrophobicContact CD1-CD2 4.01Å; Y58-Y114 AromaticContact CD1-CE1 3.88Å; Y58-Y114 HydrophobicContact CD1-CE1 3.88Å; Y58-Y114 HydrophobicContact CD1-CE2 4.31Å; Y58-Y114 AromaticContact CD1-CG 3.63Å; Y58-Y114 HydrophobicContact CD1-CG 3.63Å; Y58-Y114 HydrophobicContact CD2-CD1 4.03Å; Y58-Y114 HydrophobicContact CD2-CD2 4.44Å; Y58-Y114 AromaticContact CD2-CE1 3.45Å; Y58-Y114 HydrophobicContact CD2-CE1 3.45Å; Y58-Y114 VanDerWaalsContact CD2-CE1 3.45Å; Y58-Y114 AromaticContact CD2-CE2 3.92Å; Y58-Y114 HydrophobicContact CD2-CE2 3.92Å; Y58-Y114 HydrophobicContact CD2-CG 4.5Å; Y58-Y114 AromaticContact CD2-CZ 3.38Å; Y58-Y114 HydrophobicContact CE1-CD1 4.04Å; Y58-Y114 AromaticContact CE1-CD2 3.61Å; Y58-Y114 HydrophobicContact CE1-CD2 3.61Å; Y58-Y114 HydrophobicContact CE1-CE1 4.34Å; Y58-Y114 AromaticContact CE1-CE2 3.94Å; Y58-Y114 HydrophobicContact CE1-CE2 3.94Å; Y58-Y114 AromaticContact CE1-CG 3.67Å; Y58-Y114 HydrophobicContact CE1-CG 3.67Å; Y58-Y114 HydrophobicContact CE2-CD1 4.47Å; Y58-Y114 HydrophobicContact CE2-CD2 4.08Å; Y58-Y114 AromaticContact CE2-CE1 3.95Å; Y58-Y114 HydrophobicContact CE2-CE1 3.95Å; Y58-Y114 AromaticContact CE2-CE2 3.5Å; Y58-Y114 HydrophobicContact CE2-CE2 3.5Å; Y58-Y114 AromaticContact CE2-CZ 3.43Å; Y58-Y114 VanDerWaalsContact CE2-CZ 3.43Å; Y58-Y114 AromaticContact CG-CD1 3.52Å; Y58-Y114 HydrophobicContact CG-CD1 3.52Å; Y58-Y114 HydrophobicContact CG-CD2 4.4Å; Y58-Y114 AromaticContact CG-CE1 3.38Å; Y58-Y114 HydrophobicContact CG-CE1 3.38Å; Y58-Y114 HydrophobicContact CG-CE2 4.29Å; Y58-Y114 HydrophobicContact CG-CG 4.05Å; Y58-Y114 AromaticContact CG-CZ 3.8Å; Y58-Y114 AromaticContact CZ-CD2 3.63Å; Y58-Y114 AromaticContact CZ-CE2 3.5Å; Y58-Y114 AromaticContact CZ-CZ 3.89Å; Y79-Y114 WeakPolarHBondContact CE1-O 3.34Å; E110-Y114 HydrophobicContact CB-CE2 4.38Å; E110-Y114 WeakPolarHBondContact O-CD2 3.32Å; E110-Y114 PolarHBondContact O-N 3.45Å; A111-Y114 PolarHBondContact O-N 3.47Å; S112-Y114 PolarHBondContact O-N 2.83Å; Y114-Q117 PolarHBondContact O-N 3.45Å; Y114-Y118 PolarHBondContact O-N 2.81Å |
| 115 | I | 90.5 | Very high | 82.4 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.9 | -48.1 | 173.6 | -71.2 | 160.3 | 0 | 0 | 0 | 110.1 | L78 S82 I98 I100 A111 S112 Q117 Y118 I119 V382 V588 | L78-I115 HydrophobicContact CB-CG1 4.4Å; S82-I115 WeakPolarHBondContact OG-CG1 3.32Å; I98-I115 HydrophobicContact CD1-CG2 3.61Å; I98-I115 HydrophobicContact CG2-CD1 3.96Å; I100-I115 HydrophobicContact CD1-CD1 3.71Å; I100-I115 HydrophobicContact CG1-CD1 4.26Å; A111-I115 WeakPolarHBondContact O-CD1 3.43Å; A111-I115 VanDerWaalsContact O-CG1 3.28Å; A111-I115 WeakPolarHBondContact O-CG1 3.42Å; A111-I115 PolarHBondContact O-N 2.87Å; S112-I115 PolarHBondContact O-N 2.87Å; I115-Q117 VanDerWaalsContact C-N 3.35Å; I115-Q117 PolarHBondContact O-N 3.04Å; I115-Y118 PolarHBondContact O-N 3.12Å; I115-I119 HydrophobicContact CG2-CD1 3.84Å; I115-I119 WeakPolarHBondContact O-CG1 3.37Å; I115-I119 PolarHBondContact O-N 3.28Å; I115-V382 HydrophobicContact CG2-CG2 4.48Å; I115-V588 HydrophobicContact CD1-CG2 4.26Å |
| 116 | M | 84.1 | Confident | 81.3 | Confident | 10 Ų | 10 | 31.5 Ų | 31.5 | 5% | 0.049 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.7 | -41.4 | 177.4 | -68.1 | -60.7 | -65.7 | 0 | 0 | 112.2 | S112 K113 A120 L138 L139 M166 I168 V382 | S112-M116 WeakPolarHBondContact O-CB 3.32Å; S112-M116 WeakPolarHBondContact O-CG 3.18Å; S112-M116 PolarHBondContact O-N 2.73Å; K113-M116 PolarHBondContact O-N 3.04Å; M116-A120 VanDerWaalsContact O-CB 3.24Å; M116-A120 WeakPolarHBondContact O-CB 3.45Å; M116-A120 PolarHBondContact O-N 2.88Å; M116-L138 HydrophobicContact CE-CB 4.21Å; M116-L138 HydrophobicContact CE-CD1 4.14Å; M116-L139 HydrophobicContact CB-CD2 4Å; M116-M166 HydrophobicContact CE-CE 4.49Å; M116-M166 HydrophobicContact CG-CE 4.12Å; M116-M166 HydrophobicContact SD-CE 4.05Å; M116-I168 HydrophobicContact CE-CD1 3.44Å; M116-I168 VanDerWaalsContact CE-CD1 3.44Å; M116-I168 HydrophobicContact CE-CG1 4.09Å; M116-I168 HydrophobicContact SD-CD1 3.42Å; M116-I168 WeakPolarHBondContact SD-CD1 3.42Å; M116-I168 HydrophobicContact SD-CG1 4.47Å; M116-V382 HydrophobicContact SD-CG2 4.07Å |
| 117 | Q | 84.1 | Confident | 80 | Confident | 80 Ų | 80 | 35.8 Ų | 35.8 | 37% | 0.374 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.3 | -41.3 | 175.9 | -75.5 | 172.3 | 6.7 | 0 | 0 | 112.1 | K113 Y114 I115 A120 A121 L139 | K113-Q117 WeakPolarHBondContact O-CB 3.39Å; K113-Q117 VanDerWaalsContact O-CG 3.25Å; K113-Q117 WeakPolarHBondContact O-CG 3.21Å; K113-Q117 PolarHBondContact O-N 3.03Å; Y114-Q117 PolarHBondContact O-N 3.45Å; I115-Q117 VanDerWaalsContact C-N 3.35Å; I115-Q117 PolarHBondContact O-N 3.04Å; Q117-A120 PolarHBondContact O-N 3.03Å; Q117-A121 WeakPolarHBondContact O-CB 3.38Å; Q117-A121 PolarHBondContact O-N 3.08Å; Q117-L139 HydrophobicContact CG-CD2 4.33Å |
| 118 | Y | 88.4 | Confident | 78.6 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.9 | -51.5 | 177.4 | -176.9 | -94.6 | 0 | 0 | 0 | 111.8 | I63 Y66 R67 Y79 D83 Y114 I115 A120 A121 I122 | I63-Y118 HydrophobicContact CB-CD2 4.43Å; I63-Y118 HydrophobicContact CB-CE2 4.42Å; I63-Y118 HydrophobicContact CG1-CD2 4.17Å; I63-Y118 HydrophobicContact CG2-CD2 4.1Å; I63-Y118 HydrophobicContact CG2-CE2 3.98Å; Y66-Y118 PolarHBondContact O-OH 3.1Å; R67-Y118 VanDerWaalsContact CA-OH 3.28Å; R67-Y118 WeakPolarHBondContact CA-OH 3.4Å; R67-Y118 PolarHBondContact N-OH 2.61Å; Y79-Y118 AromaticContact CD1-CD2 3.51Å; Y79-Y118 HydrophobicContact CD1-CD2 3.51Å; Y79-Y118 HydrophobicContact CD1-CE2 4.45Å; Y79-Y118 AromaticContact CD1-CG 3.7Å; Y79-Y118 HydrophobicContact CD1-CG 3.7Å; Y79-Y118 AromaticContact CD2-CD2 3.67Å; Y79-Y118 HydrophobicContact CD2-CD2 3.67Å; Y79-Y118 HydrophobicContact CD2-CE2 4.09Å; Y79-Y118 HydrophobicContact CE1-CD2 4.05Å; Y79-Y118 HydrophobicContact CE1-CG 4.23Å; Y79-Y118 HydrophobicContact CE2-CD2 4.18Å; Y79-Y118 AromaticContact CG-CD2 3.29Å; Y79-Y118 HydrophobicContact CG-CD2 3.29Å; Y79-Y118 AromaticContact CG-CE2 3.83Å; Y79-Y118 HydrophobicContact CG-CE2 3.83Å; Y79-Y118 AromaticContact CG-CG 3.92Å; Y79-Y118 HydrophobicContact CG-CG 3.92Å; D83-Y118 HydrophobicContact CB-CE1 3.82Å; D83-Y118 WeakPolarHBondContact CB-OH 3.31Å; D83-Y118 PolarHBondContact OD1-OH 3.48Å; Y114-Y118 PolarHBondContact O-N 2.81Å; I115-Y118 PolarHBondContact O-N 3.12Å; Y118-A120 PolarHBondContact O-N 3Å; Y118-A121 PolarHBondContact O-N 2.96Å; Y118-I122 HydrophobicContact CD1-CD1 4.12Å; Y118-I122 HydrophobicContact CD1-CG2 4.28Å; Y118-I122 HydrophobicContact CE1-CD1 3.78Å; Y118-I122 HydrophobicContact CE1-CG2 3.84Å; Y118-I122 HydrophobicContact CE2-CG2 4.06Å; Y118-I122 PolarHBondContact O-N 2.93Å |
| 119 | I | 85.4 | Confident | 77.4 | Confident | 5 Ų | 5 | 45.6 Ų | 45.6 | 3% | 0.026 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -55.2 | -39.6 | 177.1 | -69.3 | 172.9 | 0 | 0 | 0 | 110.3 | I115 A121 I122 T123 F170 I380 | I115-I119 HydrophobicContact CG2-CD1 3.84Å; I115-I119 WeakPolarHBondContact O-CG1 3.37Å; I115-I119 PolarHBondContact O-N 3.28Å; I119-A121 VanDerWaalsContact C-N 3.34Å; I119-A121 PolarHBondContact O-N 2.78Å; I119-I122 WeakPolarHBondContact O-CG1 3.49Å; I119-T123 VanDerWaalsContact O-CG2 3.22Å; I119-T123 WeakPolarHBondContact O-CG2 3.16Å; I119-F170 HydrophobicContact CG2-CE1 4.1Å; I119-F170 HydrophobicContact CG2-CZ 3.56Å; I119-I380 HydrophobicContact CD1-CD1 4.39Å; I119-I380 HydrophobicContact CD1-CG2 4.14Å |
| 120 | A | 79.1 | Confident | 76.5 | Confident | 19 Ų | 19 | 51.6 Ų | 51.6 | 16% | 0.157 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -73.2 | -19.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | M116 Q117 Y118 T123 K135 | M116-A120 VanDerWaalsContact O-CB 3.24Å; M116-A120 WeakPolarHBondContact O-CB 3.45Å; M116-A120 PolarHBondContact O-N 2.88Å; Q117-A120 PolarHBondContact O-N 3.03Å; Y118-A120 PolarHBondContact O-N 3Å; A120-T123 PolarHBondContact O-OG1 2.94Å; A120-K135 HydrophobicContact CB-CD 3.89Å; A120-K135 HydrophobicContact CB-CG 3.85Å |
| 121 | A | 80.3 | Confident | 75.4 | Confident | 46 Ų | 46 | 48 Ų | 48 | 38% | 0.38 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -90.5 | -26.6 | -178 | 0 | 0 | 0 | 0 | 0 | 113.3 | I63 Q117 Y118 I119 | I63-A121 HydrophobicContact CD1-CB 3.77Å; I63-A121 HydrophobicContact CG2-CB 4.03Å; Q117-A121 WeakPolarHBondContact O-CB 3.38Å; Q117-A121 PolarHBondContact O-N 3.08Å; Y118-A121 PolarHBondContact O-N 2.96Å; I119-A121 VanDerWaalsContact C-N 3.34Å; I119-A121 PolarHBondContact O-N 2.78Å |
| 122 | I | 80.9 | Confident | 74.3 | Confident | 5 Ų | 5 | 52.1 Ų | 52.1 | 3% | 0.026 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -85.1 | -9.2 | -176.5 | 62 | 176.4 | 0 | 0 | 0 | 114.2 | I63 R67 Y86 Y118 I119 | I63-I122 HydrophobicContact CG2-CG2 4.23Å; R67-I122 HydrophobicContact CG-CG2 4.27Å; R67-I122 PolarHBondContact NH2-O 2.78Å; Y86-I122 HydrophobicContact CD1-CD1 3.56Å; Y86-I122 HydrophobicContact CD2-CD1 3.83Å; Y86-I122 HydrophobicContact CE1-CD1 4.01Å; Y86-I122 HydrophobicContact CE2-CD1 4.25Å; Y86-I122 HydrophobicContact CG-CD1 3.45Å; Y86-I122 VanDerWaalsContact CG-CD1 3.45Å; Y118-I122 HydrophobicContact CD1-CD1 4.12Å; Y118-I122 HydrophobicContact CD1-CG2 4.28Å; Y118-I122 HydrophobicContact CE1-CD1 3.78Å; Y118-I122 HydrophobicContact CE1-CG2 3.84Å; Y118-I122 HydrophobicContact CE2-CG2 4.06Å; Y118-I122 PolarHBondContact O-N 2.93Å; I119-I122 WeakPolarHBondContact O-CG1 3.49Å |
| 123 | T | 74.9 | Confident | 73.5 | Confident | 12 Ų | 12 | 55.2 Ų | 55.2 | 7% | 0.074 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -78.7 | 161.1 | -178.1 | 53.4 | 0 | 0 | 0 | 0 | 112.4 | I119 A120 F170 P176 | I119-T123 VanDerWaalsContact O-CG2 3.22Å; I119-T123 WeakPolarHBondContact O-CG2 3.16Å; A120-T123 PolarHBondContact O-OG1 2.94Å; T123-F170 HydrophobicContact CG2-CE1 4.45Å; T123-P176 VanDerWaalsContact CG2-CD 3.44Å; T123-P176 HydrophobicContact CG2-CG 4.22Å |
| 124 | N | 64.3 | Low | 72.9 | Confident | 56 Ų | 56 | 54.4 Ų | 54.4 | 30% | 0.299 | 30% | 0.302 | S | S | . | . | trans | -66.1 | 138.2 | -162.6 | -80.6 | -45.2 | 0 | 0 | 0 | 114 | S126 D175 | N124-S126 VanDerWaalsContact C-N 3.28Å; N124-S126 PolarHBondContact O-N 2.81Å; N124-D175 VanDerWaalsContact CB-OD1 3.29Å; N124-D175 WeakPolarHBondContact CB-OD1 3.4Å; N124-D175 PolarHBondContact N-OD1 3.15Å; N124-D175 PolarHBondContact ND2-OD1 2.86Å; N124-D175 PolarHBondContact ND2-OD2 2.99Å | ||
| 125 | P | 58.3 | Low | 72.1 | Confident | 80 Ų | 80 | 55.4 Ų | 55.4 | 52% | 0.519 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -73.8 | -9.1 | 179.3 | -14.2 | 28.5 | 0 | 0 | 0 | 115.6 | R128 | P125-R128 WeakPolarHBondContact O-CD 3.5Å; P125-R128 VanDerWaalsContact O-CG 3.26Å; P125-R128 WeakPolarHBondContact O-CG 3.34Å; P125-R128 PolarHBondContact O-NE 3.27Å |
| 126 | S | 55.3 | Low | 71.4 | Confident | 105 Ų | 105 | 58.3 Ų | 58.3 | 73% | 0.734 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -86.9 | -23.1 | -172.2 | 41.8 | 0 | 0 | 0 | 0 | 113.9 | N124 | N124-S126 VanDerWaalsContact C-N 3.28Å; N124-S126 PolarHBondContact O-N 2.81Å |
| 127 | Q | 58.6 | Low | 71.3 | Confident | 89 Ų | 89 | 58.2 Ų | 58.2 | 42% | 0.416 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -109.3 | 35.1 | 177.6 | -68.6 | -173.8 | -19.7 | 0 | 0 | 112.3 | A129 V131 | Q127-A129 VanDerWaalsContact C-N 3.33Å; Q127-A129 PolarHBondContact O-N 3.46Å; Q127-V131 HydrophobicContact CB-CG2 4.19Å; Q127-V131 WeakPolarHBondContact O-CB 3.44Å; Q127-V131 WeakPolarHBondContact O-CG2 3.16Å; Q127-V131 PolarHBondContact O-N 2.81Å |
| 128 | R | 58.6 | Low | 71 | Confident | 164 Ų | 164 | 54.7 Ų | 54.7 | 62% | 0.619 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -51.4 | -44.2 | -170.3 | -85.2 | 173.4 | -165.1 | -164.4 | 3.6 | 113.8 | P125 E132 | P125-R128 WeakPolarHBondContact O-CD 3.5Å; P125-R128 VanDerWaalsContact O-CG 3.26Å; P125-R128 WeakPolarHBondContact O-CG 3.34Å; P125-R128 PolarHBondContact O-NE 3.27Å; R128-E132 WeakPolarHBondContact O-CA 3.43Å; R128-E132 WeakPolarHBondContact O-CB 3.36Å; R128-E132 PolarHBondContact O-N 3.23Å |
| 129 | A | 61.3 | Low | 70.6 | Confident | 82 Ų | 82 | 56.9 Ų | 56.9 | 68% | 0.678 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -64.7 | -47.1 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q127 S133 | Q127-A129 VanDerWaalsContact C-N 3.33Å; Q127-A129 PolarHBondContact O-N 3.46Å; A129-S133 WeakPolarHBondContact O-CB 3.28Å; A129-S133 PolarHBondContact O-N 2.94Å |
| 130 | E | 62.9 | Low | 70.5 | Confident | 150 Ų | 150 | 60.8 Ų | 60.8 | 70% | 0.701 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -72.7 | -43.2 | 178.9 | -71.1 | 179.3 | 174.4 | 0 | 0 | 111.5 | E132 S133 V134 | E130-E132 VanDerWaalsContact C-N 3.31Å; E130-E132 PolarHBondContact O-N 3.03Å; E130-S133 WeakPolarHBondContact O-CB 3.29Å; E130-S133 PolarHBondContact O-N 3.13Å; E130-V134 PolarHBondContact O-N 2.91Å |
| 131 | V | 64.2 | Low | 71 | Confident | 10 Ų | 10 | 59.9 Ų | 59.9 | 6% | 0.061 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.1 | -39.7 | 176 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | Q127 K135 D175 P176 | Q127-V131 HydrophobicContact CB-CG2 4.19Å; Q127-V131 WeakPolarHBondContact O-CB 3.44Å; Q127-V131 WeakPolarHBondContact O-CG2 3.16Å; Q127-V131 PolarHBondContact O-N 2.81Å; V131-K135 WeakPolarHBondContact O-CB 3.45Å; V131-K135 PolarHBondContact O-N 3.07Å; V131-D175 HydrophobicContact CG2-CB 4.43Å; V131-P176 HydrophobicContact CG1-CG 3.84Å |
| 132 | E | 67.1 | Low | 71.2 | Confident | 91 Ų | 91 | 58.3 Ų | 58.3 | 43% | 0.425 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -72.9 | -31.8 | 177.9 | -170.9 | 158.7 | -149.9 | 0 | 0 | 111.7 | R128 E130 N136 | R128-E132 WeakPolarHBondContact O-CA 3.43Å; R128-E132 WeakPolarHBondContact O-CB 3.36Å; R128-E132 PolarHBondContact O-N 3.23Å; E130-E132 VanDerWaalsContact C-N 3.31Å; E130-E132 PolarHBondContact O-N 3.03Å; E132-N136 WeakPolarHBondContact O-CB 3.29Å; E132-N136 PolarHBondContact O-N 3.22Å; E132-N136 PolarHBondContact O-ND2 3.21Å; E132-N136 VanDerWaalsContact O-ND2 3.12Å |
| 133 | S | 71.1 | Confident | 71.7 | Confident | 68 Ų | 68 | 60 Ų | 60 | 48% | 0.476 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.2 | -57.3 | 170.2 | -175.2 | 0 | 0 | 0 | 0 | 111.3 | A129 E130 K135 N136 V137 | A129-S133 WeakPolarHBondContact O-CB 3.28Å; A129-S133 PolarHBondContact O-N 2.94Å; E130-S133 WeakPolarHBondContact O-CB 3.29Å; E130-S133 PolarHBondContact O-N 3.13Å; S133-K135 VanDerWaalsContact C-N 3.27Å; S133-K135 PolarHBondContact O-N 3.32Å; S133-N136 PolarHBondContact O-N 3.15Å; S133-N136 VanDerWaalsContact O-N 3.11Å; S133-V137 VanDerWaalsContact O-CG2 3.28Å; S133-V137 WeakPolarHBondContact O-CG2 3.39Å; S133-V137 PolarHBondContact O-N 2.8Å |
| 134 | V | 72.6 | Confident | 72.5 | Confident | 23 Ų | 23 | 59.4 Ų | 59.4 | 14% | 0.139 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.6 | -41.4 | 178.7 | 175.9 | 0 | 0 | 0 | 0 | 110.9 | E130 V137 L138 | E130-V134 PolarHBondContact O-N 2.91Å; V134-V137 PolarHBondContact O-N 2.92Å; V134-L138 HydrophobicContact CG1-CD1 3.91Å; V134-L138 HydrophobicContact CG1-CG 4.49Å; V134-L138 WeakPolarHBondContact O-CB 3.45Å; V134-L138 WeakPolarHBondContact O-CG 3.42Å; V134-L138 PolarHBondContact O-N 3.47Å |
| 135 | K | 71.3 | Confident | 73.8 | Confident | 69 Ų | 69 | 56.9 Ų | 56.9 | 30% | 0.3 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.7 | -51.4 | 173.8 | 170.8 | -169.7 | 176.6 | -176.2 | 0 | 112.5 | A120 V131 S133 V137 L138 L139 | A120-K135 HydrophobicContact CB-CD 3.89Å; A120-K135 HydrophobicContact CB-CG 3.85Å; V131-K135 WeakPolarHBondContact O-CB 3.45Å; V131-K135 PolarHBondContact O-N 3.07Å; S133-K135 VanDerWaalsContact C-N 3.27Å; S133-K135 PolarHBondContact O-N 3.32Å; K135-V137 VanDerWaalsContact C-N 3.31Å; K135-V137 PolarHBondContact O-N 3.45Å; K135-L138 PolarHBondContact O-N 3.11Å; K135-L139 HydrophobicContact CG-CD1 3.85Å; K135-L139 WeakPolarHBondContact O-CB 3.4Å; K135-L139 WeakPolarHBondContact O-CG 3.37Å; K135-L139 PolarHBondContact O-N 3.2Å |
| 136 | N | 76.4 | Confident | 75.3 | Confident | 61 Ų | 61 | 54.4 Ų | 54.4 | 33% | 0.326 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.1 | -41 | -177.2 | -76.5 | -24.2 | 0 | 0 | 0 | 110.2 | E132 S133 K140 V256 | E132-N136 WeakPolarHBondContact O-CB 3.29Å; E132-N136 PolarHBondContact O-N 3.22Å; E132-N136 PolarHBondContact O-ND2 3.21Å; E132-N136 VanDerWaalsContact O-ND2 3.12Å; S133-N136 PolarHBondContact O-N 3.15Å; S133-N136 VanDerWaalsContact O-N 3.11Å; N136-K140 WeakPolarHBondContact O-CB 3.49Å; N136-K140 WeakPolarHBondContact O-CG 3.12Å; N136-K140 PolarHBondContact O-N 2.86Å; N136-V256 HydrophobicContact CB-CG1 4.36Å |
| 137 | V | 81.9 | Confident | 77.1 | Confident | 8 Ų | 8 | 49.5 Ų | 49.5 | 5% | 0.048 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.2 | -49.4 | 175.4 | 179.6 | 0 | 0 | 0 | 0 | 110.8 | S133 V134 K135 L139 K140 S141 I257 I364 | S133-V137 VanDerWaalsContact O-CG2 3.28Å; S133-V137 WeakPolarHBondContact O-CG2 3.39Å; S133-V137 PolarHBondContact O-N 2.8Å; V134-V137 PolarHBondContact O-N 2.92Å; K135-V137 VanDerWaalsContact C-N 3.31Å; K135-V137 PolarHBondContact O-N 3.45Å; V137-L139 PolarHBondContact O-N 3.48Å; V137-K140 PolarHBondContact O-N 3.19Å; V137-S141 VanDerWaalsContact O-CB 3.25Å; V137-S141 WeakPolarHBondContact O-CB 3.4Å; V137-S141 PolarHBondContact O-N 3.4Å; V137-I257 HydrophobicContact CG1-CG1 4.29Å; V137-I257 HydrophobicContact CG1-CG2 4.08Å; V137-I364 HydrophobicContact CB-CG1 4.32Å; V137-I364 HydrophobicContact CG1-CD1 3.77Å; V137-I364 HydrophobicContact CG1-CG1 3.4Å |
| 138 | L | 78.1 | Confident | 78.8 | Confident | 6 Ų | 6 | 45.4 Ų | 45.4 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.3 | -45.9 | 179 | -76.5 | 169 | 0 | 0 | 0 | 112.6 | M116 V134 K135 S141 I168 I364 | M116-L138 HydrophobicContact CE-CB 4.21Å; M116-L138 HydrophobicContact CE-CD1 4.14Å; V134-L138 HydrophobicContact CG1-CD1 3.91Å; V134-L138 HydrophobicContact CG1-CG 4.49Å; V134-L138 WeakPolarHBondContact O-CB 3.45Å; V134-L138 WeakPolarHBondContact O-CG 3.42Å; V134-L138 PolarHBondContact O-N 3.47Å; K135-L138 PolarHBondContact O-N 3.11Å; L138-S141 PolarHBondContact O-OG 3.02Å; L138-I168 HydrophobicContact CD1-CG2 4.49Å; L138-I364 HydrophobicContact CD2-CD1 3.83Å; L138-I364 HydrophobicContact CD2-CG2 4.34Å; L138-I364 HydrophobicContact CG-CD1 4.35Å |
| 139 | L | 79 | Confident | 80.3 | Confident | 46 Ų | 46 | 37.6 Ų | 37.6 | 24% | 0.241 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -69.2 | -39.8 | 179.5 | -70.1 | 173.5 | 0 | 0 | 0 | 112.4 | M116 Q117 K135 V137 | M116-L139 HydrophobicContact CB-CD2 4Å; Q117-L139 HydrophobicContact CG-CD2 4.33Å; K135-L139 HydrophobicContact CG-CD1 3.85Å; K135-L139 WeakPolarHBondContact O-CB 3.4Å; K135-L139 WeakPolarHBondContact O-CG 3.37Å; K135-L139 PolarHBondContact O-N 3.2Å; V137-L139 PolarHBondContact O-N 3.48Å |
| 140 | K | 85.1 | Confident | 81.7 | Confident | 86 Ų | 86 | 33.8 Ų | 33.8 | 37% | 0.374 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -74.6 | -28.1 | 178.6 | -66.4 | -70.6 | -177.5 | 175.5 | 0 | 112.4 | N136 V137 N142 C143 A253 V256 I257 | N136-K140 WeakPolarHBondContact O-CB 3.49Å; N136-K140 WeakPolarHBondContact O-CG 3.12Å; N136-K140 PolarHBondContact O-N 2.86Å; V137-K140 PolarHBondContact O-N 3.19Å; K140-N142 PolarHBondContact O-N 2.9Å; K140-C143 VanDerWaalsContact O-CB 3.3Å; K140-C143 WeakPolarHBondContact O-CB 3.34Å; K140-C143 PolarHBondContact O-N 3.06Å; K140-A253 HydrophobicContact CB-CB 4.17Å; K140-A253 HydrophobicContact CD-CB 4.39Å; K140-V256 HydrophobicContact CG-CG1 4.14Å; K140-I257 HydrophobicContact CB-CD1 4.44Å; K140-I257 HydrophobicContact CB-CG1 4.23Å |
| 141 | S | 88.1 | Confident | 82.9 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -56.3 | -35 | 174.4 | 77.1 | 0 | 0 | 0 | 0 | 112.1 | V137 L138 C143 V144 L145 | V137-S141 VanDerWaalsContact O-CB 3.25Å; V137-S141 WeakPolarHBondContact O-CB 3.4Å; V137-S141 PolarHBondContact O-N 3.4Å; L138-S141 PolarHBondContact O-OG 3.02Å; S141-C143 VanDerWaalsContact C-N 3.29Å; S141-C143 PolarHBondContact O-N 3.34Å; S141-V144 PolarHBondContact O-N 3.5Å; S141-L145 WeakPolarHBondContact O-CB 3.39Å; S141-L145 VanDerWaalsContact O-CG 3.25Å; S141-L145 WeakPolarHBondContact O-CG 3.32Å; S141-L145 PolarHBondContact O-N 3.35Å |
| 142 | N | 86.3 | Confident | 83.9 | Confident | 13 Ų | 13 | 27.7 Ų | 27.7 | 7% | 0.07 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.4 | -42.4 | 174.4 | -74.1 | -33.1 | 0 | 0 | 0 | 111.6 | K140 V144 L145 E146 K164 | K140-N142 PolarHBondContact O-N 2.9Å; N142-V144 VanDerWaalsContact C-N 3.29Å; N142-V144 PolarHBondContact O-N 2.57Å; N142-L145 PolarHBondContact O-N 2.88Å; N142-E146 VanDerWaalsContact O-CB 3.26Å; N142-E146 WeakPolarHBondContact O-CB 3.31Å; N142-E146 WeakPolarHBondContact O-CG 3.21Å; N142-E146 PolarHBondContact O-N 3.42Å; N142-K164 PolarHBondContact OD1-NZ 3.34Å |
| 143 | C | 89.4 | Confident | 84.5 | Confident | 41 Ų | 41 | 23.8 Ų | 23.8 | 28% | 0.277 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -61.1 | -40.2 | 179.9 | -171.1 | 0 | 0 | 0 | 0 | 112.1 | K140 S141 A147 A253 | K140-C143 VanDerWaalsContact O-CB 3.3Å; K140-C143 WeakPolarHBondContact O-CB 3.34Å; K140-C143 PolarHBondContact O-N 3.06Å; S141-C143 VanDerWaalsContact C-N 3.29Å; S141-C143 PolarHBondContact O-N 3.34Å; C143-A147 PolarHBondContact O-N 3.21Å; C143-A253 HydrophobicContact CB-CB 4.1Å |
| 144 | V | 92.7 | Very high | 84.8 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -72 | -48.4 | 178.4 | -178.6 | 0 | 0 | 0 | 0 | 110.1 | S141 N142 E146 A147 F148 A253 L254 I257 I356 | S141-V144 PolarHBondContact O-N 3.5Å; N142-V144 VanDerWaalsContact C-N 3.29Å; N142-V144 PolarHBondContact O-N 2.57Å; V144-E146 VanDerWaalsContact C-N 3.3Å; V144-E146 PolarHBondContact O-N 3.23Å; V144-A147 WeakPolarHBondContact O-CB 3.23Å; V144-A147 PolarHBondContact O-N 2.62Å; V144-A147 VanDerWaalsContact O-N 3.09Å; V144-F148 HydrophobicContact CG1-CD2 4.15Å; V144-F148 HydrophobicContact CG1-CE2 4.32Å; V144-F148 WeakPolarHBondContact O-CD2 3.45Å; V144-F148 PolarHBondContact O-N 3.15Å; V144-F148 VanDerWaalsContact O-N 3.12Å; V144-A253 HydrophobicContact CG2-CB 3.86Å; V144-L254 HydrophobicContact CG1-CD2 3.82Å; V144-L254 HydrophobicContact CG2-CD2 3.91Å; V144-L254 HydrophobicContact CG2-CG 4.03Å; V144-I257 HydrophobicContact CG2-CD1 3.7Å; V144-I356 HydrophobicContact CG1-CG2 3.87Å |
| 145 | L | 91.4 | Very high | 84.7 | Confident | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.3 | -34.2 | -179.5 | -64.9 | 170.6 | 0 | 0 | 0 | 112.2 | S141 N142 G149 F162 K164 I181 F353 V357 I360 | S141-L145 WeakPolarHBondContact O-CB 3.39Å; S141-L145 VanDerWaalsContact O-CG 3.25Å; S141-L145 WeakPolarHBondContact O-CG 3.32Å; S141-L145 PolarHBondContact O-N 3.35Å; N142-L145 PolarHBondContact O-N 2.88Å; L145-G149 VanDerWaalsContact O-CA 3.26Å; L145-G149 WeakPolarHBondContact O-CA 3.41Å; L145-G149 PolarHBondContact O-N 2.97Å; L145-F162 HydrophobicContact CB-CZ 3.92Å; L145-K164 HydrophobicContact CD1-CD 4.08Å; L145-I181 HydrophobicContact CD1-CD1 4.07Å; L145-I181 HydrophobicContact CD1-CG2 4.36Å; L145-F353 HydrophobicContact CD2-CE2 3.93Å; L145-F353 HydrophobicContact CD2-CZ 4.15Å; L145-V357 HydrophobicContact CD2-CG2 3.62Å; L145-I360 HydrophobicContact CD2-CD1 4.33Å; L145-I360 HydrophobicContact CG-CD1 4.44Å |
| 146 | E | 89.6 | Confident | 85 | Confident | 29 Ų | 29 | 25.6 Ų | 25.6 | 14% | 0.136 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -67.2 | -39.2 | 172.4 | -72.6 | -178.7 | -151.5 | 0 | 0 | 111.3 | K113 N142 V144 F148 N150 N158 | K113-E146 WeakPolarHBondContact CE-OE1 3.33Å; K113-E146 IonicContact NZ-OE1 3.64Å; K113-E146 PolarHBondContact NZ-OE1 2.97Å; K113-E146 IonicContact NZ-OE2 2.89Å; N142-E146 VanDerWaalsContact O-CB 3.26Å; N142-E146 WeakPolarHBondContact O-CB 3.31Å; N142-E146 WeakPolarHBondContact O-CG 3.21Å; N142-E146 PolarHBondContact O-N 3.42Å; V144-E146 VanDerWaalsContact C-N 3.3Å; V144-E146 PolarHBondContact O-N 3.23Å; E146-F148 VanDerWaalsContact C-N 3.34Å; E146-F148 PolarHBondContact O-N 3.29Å; E146-N150 WeakPolarHBondContact CG-ND2 3.47Å; E146-N150 WeakPolarHBondContact O-CA 3.41Å; E146-N150 WeakPolarHBondContact O-CB 3.12Å; E146-N150 PolarHBondContact O-N 3.14Å; E146-N158 PolarHBondContact OE2-ND2 3.19Å |
| 147 | A | 93.3 | Very high | 85.2 | Confident | 2 Ų | 2 | 24.1 Ų | 24.1 | 2% | 0.017 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.3 | -40.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | C143 V144 H202 S203 V250 | C143-A147 PolarHBondContact O-N 3.21Å; V144-A147 WeakPolarHBondContact O-CB 3.23Å; V144-A147 PolarHBondContact O-N 2.62Å; V144-A147 VanDerWaalsContact O-N 3.09Å; A147-H202 CarbonylContact O-C 3.59Å; A147-H202 PolarHBondContact O-N 3.23Å; A147-S203 WeakPolarHBondContact O-CB 3.41Å; A147-S203 PolarHBondContact O-N 3.42Å; A147-V250 HydrophobicContact CB-CG1 4.35Å; A147-V250 HydrophobicContact CB-CG2 3.59Å |
| 148 | F | 94.8 | Very high | 85.2 | Confident | 3 Ų | 3 | 25.6 Ų | 25.6 | 1% | 0.013 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -94.6 | -19 | -177.1 | -72.2 | -98.7 | 0 | 0 | 0 | 114.4 | V144 E146 F201 I267 L271 Y349 L352 F353 I356 | V144-F148 HydrophobicContact CG1-CD2 4.15Å; V144-F148 HydrophobicContact CG1-CE2 4.32Å; V144-F148 WeakPolarHBondContact O-CD2 3.45Å; V144-F148 PolarHBondContact O-N 3.15Å; V144-F148 VanDerWaalsContact O-N 3.12Å; E146-F148 VanDerWaalsContact C-N 3.34Å; E146-F148 PolarHBondContact O-N 3.29Å; F148-F201 WeakPolarHBondContact O-CD1 3.41Å; F148-I267 HydrophobicContact CE1-CG2 3.73Å; F148-I267 HydrophobicContact CZ-CG2 3.42Å; F148-I267 VanDerWaalsContact CZ-CG2 3.42Å; F148-L271 HydrophobicContact CE1-CD1 3.75Å; F148-L271 HydrophobicContact CE1-CD2 4.09Å; F148-L271 HydrophobicContact CE1-CG 4.19Å; F148-L271 HydrophobicContact CZ-CD1 4.01Å; F148-Y349 VanDerWaalsContact C-OH 3.31Å; F148-Y349 WeakPolarHBondContact CA-OH 3.17Å; F148-Y349 WeakPolarHBondContact O-CE1 3.39Å; F148-Y349 PolarHBondContact O-OH 3.4Å; F148-L352 HydrophobicContact CD1-CD2 4.49Å; F148-L352 HydrophobicContact CE1-CD2 4.09Å; F148-F353 HydrophobicContact CB-CD2 3.73Å; F148-F353 HydrophobicContact CB-CE2 4.1Å; F148-I356 HydrophobicContact CD1-CD1 3.8Å; F148-I356 HydrophobicContact CD2-CD1 4.14Å; F148-I356 HydrophobicContact CE1-CD1 3.78Å; F148-I356 HydrophobicContact CE2-CD1 4.15Å; F148-I356 HydrophobicContact CG-CD1 3.99Å; F148-I356 HydrophobicContact CZ-CD1 3.99Å |
| 149 | G | 90.7 | Very high | 85.3 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -114.8 | -9.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | L145 R161 F162 | L145-G149 VanDerWaalsContact O-CA 3.26Å; L145-G149 WeakPolarHBondContact O-CA 3.41Å; L145-G149 PolarHBondContact O-N 2.97Å; G149-R161 WeakPolarHBondContact O-CB 3.22Å; G149-R161 PolarHBondContact O-N 3.15Å; G149-F162 WeakPolarHBondContact O-CD1 3.5Å |
| 150 | N | 89.2 | Confident | 85.5 | Confident | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 152.6 | 177.5 | -58.3 | 13 | 0 | 0 | 0 | 112.1 | E146 N158 S159 S160 F201 H202 | E146-N150 WeakPolarHBondContact CG-ND2 3.47Å; E146-N150 WeakPolarHBondContact O-CA 3.41Å; E146-N150 WeakPolarHBondContact O-CB 3.12Å; E146-N150 PolarHBondContact O-N 3.14Å; N150-N158 WeakPolarHBondContact CB-OD1 3.38Å; N150-N158 PolarHBondContact ND2-OD1 3.24Å; N150-S159 VanDerWaalsContact CA-O 3.23Å; N150-S159 WeakPolarHBondContact CA-O 3.36Å; N150-S159 WeakPolarHBondContact CB-O 3.23Å; N150-S160 WeakPolarHBondContact OD1-CA 3.45Å; N150-F201 WeakPolarHBondContact O-CA 3.4Å; N150-H202 PolarHBondContact O-CD2 3.22Å; N150-H202 VanDerWaalsContact O-CD2 3.32Å; N150-H202 PolarHBondContact O-N 3.49Å; N150-H202 VanDerWaalsContact O-N 3.12Å |
| 151 | A | 88.5 | Confident | 85.5 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 162.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | S159 R161 R190 | A151-S159 PolarHBondContact N-O 2.91Å; A151-S159 VanDerWaalsContact N-O 3.1Å; A151-S159 WeakPolarHBondContact O-CB 3.35Å; A151-S159 PolarHBondContact O-N 3.44Å; A151-R161 HydrophobicContact CB-CG 4.24Å; A151-R190 VanDerWaalsContact CB-CD 3.47Å |
| 152 | K | 86.1 | Confident | 85.4 | Confident | 32 Ų | 32 | 21.6 Ų | 21.6 | 14% | 0.139 | 11% | 0.112 | C | C | . | . | trans | -78.1 | 126.5 | 169 | 165.8 | 171.9 | 168.6 | 151.5 | 0 | 109.3 | D157 E198 R199 H202 A238 T239 | K152-D157 WeakPolarHBondContact CA-O 3.38Å; K152-D157 IonicContact NZ-OD1 3.72Å; K152-E198 WeakPolarHBondContact O-CB 3.23Å; K152-R199 HydrophobicContact CB-CB 4.04Å; K152-R199 HydrophobicContact CB-CG 4.14Å; K152-R199 HydrophobicContact CD-CG 4.38Å; K152-R199 PolarHBondContact O-N 3.1Å; K152-H202 PolarHBondContact N-CE1 2.9Å; K152-A238 PolarHBondContact NZ-O 3.48Å; K152-T239 HydrophobicContact CB-CG2 4.28Å; K152-T239 HydrophobicContact CD-CG2 3.75Å | ||
| 153 | T | 79.9 | Confident | 85.2 | Confident | 10 Ų | 10 | 21 Ų | 21 | 6% | 0.061 | 11% | 0.109 | C | C | . | . | trans | -112 | 171.5 | 168.1 | 65.9 | 0 | 0 | 0 | 0 | 110 | R155 N156 E198 | T153-R155 PolarHBondContact O-N 3.36Å; T153-R155 VanDerWaalsContact O-N 3.16Å; T153-R155 PolarHBondContact OG1-N 2.98Å; T153-N156 PolarHBondContact N-O 3.12Å; T153-N156 PolarHBondContact O-N 3.18Å; T153-N156 PolarHBondContact OG1-N 3.29Å; T153-N156 PolarHBondContact OG1-O 3.47Å; T153-E198 VanDerWaalsContact CA-OE1 3.28Å; T153-E198 WeakPolarHBondContact CA-OE1 3.25Å; T153-E198 WeakPolarHBondContact CB-OE1 3.18Å; T153-E198 WeakPolarHBondContact CG2-OE1 3.2Å | ||
| 154 | N | 76.7 | Confident | 85 | Confident | 101 Ų | 101 | 19.6 Ų | 19.6 | 54% | 0.54 | 10% | 0.098 | S | C | . | . | S | Bend | trans | -62.1 | -21.6 | 175.1 | -72.3 | -29.6 | 0 | 0 | 0 | 113 | E196 G197 E198 | N154-E196 PolarHBondContact ND2-O 3.35Å; N154-E196 PolarHBondContact OD1-O 2.73Å; N154-G197 WeakPolarHBondContact OD1-CA 3.38Å; N154-E198 PolarHBondContact N-OE1 3.37Å |
| 155 | R | 71.2 | Confident | 84.8 | Confident | 62 Ų | 62 | 19.6 Ų | 19.6 | 23% | 0.234 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -98.4 | -24.6 | -178 | -65.3 | -174.9 | 179.9 | 174.8 | 2 | 114.5 | T153 I390 F391 K592 | T153-R155 PolarHBondContact O-N 3.36Å; T153-R155 VanDerWaalsContact O-N 3.16Å; T153-R155 PolarHBondContact OG1-N 2.98Å; R155-I390 PolarHBondContact NH1-O 3.28Å; R155-I390 PolarHBondContact NH2-O 2.88Å; R155-F391 VanDerWaalsContact CZ-CE1 3.46Å; R155-K592 PolarHBondContact O-NZ 3.24Å |
| 156 | N | 76.1 | Confident | 84.7 | Confident | 35 Ų | 35 | 19.6 Ų | 19.6 | 19% | 0.187 | 10% | 0.098 | C | C | . | . | trans | -153.6 | 136 | -174.9 | 179.5 | 15.4 | 0 | 0 | 0 | 111.1 | T153 N158 S159 | T153-N156 PolarHBondContact N-O 3.12Å; T153-N156 PolarHBondContact O-N 3.18Å; T153-N156 PolarHBondContact OG1-N 3.29Å; T153-N156 PolarHBondContact OG1-O 3.47Å; N156-N158 VanDerWaalsContact C-N 3.34Å; N156-N158 VanDerWaalsContact ND2-C 3.35Å; N156-N158 PolarHBondContact ND2-O 2.86Å; N156-N158 PolarHBondContact O-N 3.25Å; N156-N158 PolarHBondContact OD1-N 2.9Å; N156-N158 VanDerWaalsContact OD1-N 3.14Å; N156-S159 WeakPolarHBondContact ND2-CA 3.11Å; N156-S159 PolarHBondContact ND2-N 3.15Å | ||
| 157 | D | 80.6 | Confident | 84.6 | Confident | 30 Ų | 30 | 19.1 Ų | 19.1 | 16% | 0.16 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -21.5 | -178.5 | -57.7 | -27.2 | 0 | 0 | 0 | 113.2 | K152 H202 S240 K597 | K152-D157 WeakPolarHBondContact CA-O 3.38Å; K152-D157 IonicContact NZ-OD1 3.72Å; D157-H202 PolarHBondContact O-CE1 2.82Å; D157-H202 PolarHBondContact O-NE2 2.86Å; D157-S240 PolarHBondContact OD2-OG 2.95Å; D157-K597 IonicContact OD1-NZ 2.96Å; D157-K597 PolarHBondContact OD1-NZ 2.75Å; D157-K597 IonicContact OD2-NZ 3.21Å; D157-K597 PolarHBondContact OD2-NZ 2.79Å |
| 158 | N | 82.8 | Confident | 84.4 | Confident | 39 Ų | 39 | 19.2 Ų | 19.2 | 21% | 0.209 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -133.7 | 67.5 | 179 | -173.1 | 24.4 | 0 | 0 | 0 | 109.3 | E146 N150 N156 H202 | E146-N158 PolarHBondContact OE2-ND2 3.19Å; N150-N158 WeakPolarHBondContact CB-OD1 3.38Å; N150-N158 PolarHBondContact ND2-OD1 3.24Å; N156-N158 VanDerWaalsContact C-N 3.34Å; N156-N158 VanDerWaalsContact ND2-C 3.35Å; N156-N158 PolarHBondContact ND2-O 2.86Å; N156-N158 PolarHBondContact O-N 3.25Å; N156-N158 PolarHBondContact OD1-N 2.9Å; N156-N158 VanDerWaalsContact OD1-N 3.14Å; N158-H202 PolarHBondContact OD1-NE2 3.42Å |
| 159 | S | 81.1 | Confident | 84 | Confident | 4 Ų | 4 | 20.8 Ų | 20.8 | 3% | 0.028 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 124.9 | -178.3 | -169 | 0 | 0 | 0 | 0 | 110.7 | S104 N150 A151 N156 R161 | S104-S159 PolarHBondContact OG-OG 3Å; N150-S159 VanDerWaalsContact CA-O 3.23Å; N150-S159 WeakPolarHBondContact CA-O 3.36Å; N150-S159 WeakPolarHBondContact CB-O 3.23Å; A151-S159 PolarHBondContact N-O 2.91Å; A151-S159 VanDerWaalsContact N-O 3.1Å; A151-S159 WeakPolarHBondContact O-CB 3.35Å; A151-S159 PolarHBondContact O-N 3.44Å; N156-S159 WeakPolarHBondContact ND2-CA 3.11Å; N156-S159 PolarHBondContact ND2-N 3.15Å; S159-R161 PolarHBondContact O-N 3.28Å |
| 160 | S | 83.1 | Confident | 83.7 | Confident | 25 Ų | 25 | 20.8 Ų | 20.8 | 18% | 0.175 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 122.2 | 168.9 | -45.7 | 0 | 0 | 0 | 0 | 110.2 | T109 N150 | T109-S160 PolarHBondContact OG1-OG 2.66Å; N150-S160 WeakPolarHBondContact OD1-CA 3.45Å |
| 161 | R | 84.9 | Confident | 83.4 | Confident | 15 Ų | 15 | 21.7 Ų | 21.7 | 6% | 0.057 | 11% | 0.11 | C | C | . | . | trans | -111.5 | 26.9 | 177.1 | -54.2 | -53 | -64.1 | 166.9 | -3.3 | 111.9 | G149 A151 S159 E187 F201 E389 | G149-R161 WeakPolarHBondContact O-CB 3.22Å; G149-R161 PolarHBondContact O-N 3.15Å; A151-R161 HydrophobicContact CB-CG 4.24Å; S159-R161 PolarHBondContact O-N 3.28Å; R161-E187 HydrophobicContact CB-CB 4Å; R161-E187 IonicContact CZ-OE1 2.86Å; R161-E187 IonicContact CZ-OE2 3.54Å; R161-E187 IonicContact NE-OE1 3.15Å; R161-E187 IonicContact NE-OE2 3.64Å; R161-E187 PolarHBondContact NE-OE2 3.15Å; R161-E187 IonicContact NH2-OE1 2.72Å; R161-E187 PolarHBondContact NH2-OE1 3.15Å; R161-E187 IonicContact NH2-OE2 2.98Å; R161-E187 PolarHBondContact NH2-OE2 2.98Å; R161-E187 PolarHBondContact O-N 3.32Å; R161-F201 HydrophobicContact CB-CE1 4.15Å; R161-E389 IonicContact CZ-OE1 3.29Å; R161-E389 IonicContact NH1-OE1 2.73Å; R161-E389 PolarHBondContact NH1-OE1 3.23Å; R161-E389 IonicContact NH1-OE2 2.62Å; R161-E389 IonicContact NH2-OE1 2.66Å; R161-E389 IonicContact NH2-OE2 3.23Å | ||
| 162 | F | 85 | Confident | 82.9 | Confident | 10 Ų | 10 | 28.7 Ų | 28.7 | 4% | 0.044 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -150.3 | 153.1 | 170.5 | 73.3 | -72.5 | 0 | 0 | 0 | 109.1 | L145 G149 K164 N183 L185 L186 F353 | L145-F162 HydrophobicContact CB-CZ 3.92Å; G149-F162 WeakPolarHBondContact O-CD1 3.5Å; F162-K164 HydrophobicContact CD2-CB 4.32Å; F162-K164 HydrophobicContact CE2-CB 3.72Å; F162-K164 HydrophobicContact CE2-CD 4.22Å; F162-K164 HydrophobicContact CE2-CG 4.21Å; F162-K164 HydrophobicContact CZ-CB 4.4Å; F162-K164 HydrophobicContact CZ-CD 4.39Å; F162-N183 HydrophobicContact CD2-CB 4.27Å; F162-L185 WeakPolarHBondContact CA-O 3.48Å; F162-L186 HydrophobicContact CB-CD1 4.08Å; F162-F353 HydrophobicContact CB-CE1 4.37Å; F162-F353 AromaticContact CD1-CZ 3.98Å; F162-F353 HydrophobicContact CD1-CZ 3.98Å; F162-F353 AromaticContact CD2-CE1 3.9Å; F162-F353 HydrophobicContact CD2-CE1 3.9Å; F162-F353 AromaticContact CD2-CZ 3.61Å; F162-F353 HydrophobicContact CD2-CZ 3.61Å; F162-F353 HydrophobicContact CE1-CZ 4.08Å; F162-F353 HydrophobicContact CE2-CE1 4.38Å; F162-F353 AromaticContact CE2-CZ 3.7Å; F162-F353 HydrophobicContact CE2-CZ 3.7Å; F162-F353 HydrophobicContact CG-CE1 4.05Å; F162-F353 AromaticContact CG-CZ 3.77Å; F162-F353 HydrophobicContact CG-CZ 3.77Å; F162-F353 AromaticContact CZ-CZ 3.96Å; F162-F353 HydrophobicContact CZ-CZ 3.96Å |
| 163 | G | 82.6 | Confident | 82.5 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 140 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | N183 Y184 | G163-N183 CarbonylContact O-C 3.58Å; G163-N183 WeakPolarHBondContact O-CA 3.14Å; G163-Y184 PolarHBondContact N-O 2.84Å; G163-Y184 PolarHBondContact O-N 3.5Å |
| 164 | K | 85.9 | Confident | 82.4 | Confident | 11 Ų | 11 | 29.7 Ų | 29.7 | 5% | 0.048 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 122.9 | -176.7 | -177.8 | 176 | 165.7 | 170.8 | 0 | 110.7 | N142 L145 F162 M166 I181 D384 | N142-K164 PolarHBondContact OD1-NZ 3.34Å; L145-K164 HydrophobicContact CD1-CD 4.08Å; F162-K164 HydrophobicContact CD2-CB 4.32Å; F162-K164 HydrophobicContact CE2-CB 3.72Å; F162-K164 HydrophobicContact CE2-CD 4.22Å; F162-K164 HydrophobicContact CE2-CG 4.21Å; F162-K164 HydrophobicContact CZ-CB 4.4Å; F162-K164 HydrophobicContact CZ-CD 4.39Å; K164-M166 HydrophobicContact CD-CG 4.37Å; K164-M166 WeakPolarHBondContact CE-SD 3.39Å; K164-M166 HydrophobicContact CG-CG 4.23Å; K164-M166 PolarHBondContact NZ-SD 2.73Å; K164-I181 HydrophobicContact CG-CG2 4.11Å; K164-D384 PolarHBondContact N-O 3.3Å; K164-D384 PolarHBondContact O-N 3.36Å |
| 165 | Y | 87.9 | Confident | 82.5 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 121.1 | 170.8 | -176.1 | -117.9 | 0 | 0 | 0 | 110 | D167 I181 N182 V382 L383 L576 L580 K583 | Y165-D167 WeakPolarHBondContact CE1-OD1 3.38Å; Y165-D167 WeakPolarHBondContact CE1-OD2 3.17Å; Y165-D167 VanDerWaalsContact CZ-OD1 3.26Å; Y165-D167 PolarHBondContact OH-OD1 3.16Å; Y165-I181 CarbonylContact O-C 3.38Å; Y165-I181 WeakPolarHBondContact O-CA 3.47Å; Y165-N182 PolarHBondContact N-O 2.75Å; Y165-N182 PolarHBondContact O-N 2.77Å; Y165-V382 WeakPolarHBondContact CA-O 3.01Å; Y165-L383 HydrophobicContact CD2-CB 3.82Å; Y165-L383 HydrophobicContact CD2-CD1 3.98Å; Y165-L383 HydrophobicContact CD2-CG 4.46Å; Y165-L383 HydrophobicContact CE2-CB 4.36Å; Y165-L383 HydrophobicContact CG-CD1 4.37Å; Y165-L576 HydrophobicContact CD1-CD1 4.21Å; Y165-L576 HydrophobicContact CD2-CD1 4.3Å; Y165-L576 HydrophobicContact CG-CD1 4.02Å; Y165-L580 HydrophobicContact CE2-CD2 3.74Å; Y165-K583 WeakPolarHBondContact OH-CE 3.47Å; Y165-K583 PolarHBondContact OH-NZ 3.44Å |
| 166 | M | 88.2 | Confident | 83 | Confident | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 118.3 | 177.4 | -64.6 | -173.5 | -74.6 | 0 | 0 | 110.3 | M116 K164 H180 I181 G381 V382 | M116-M166 HydrophobicContact CE-CE 4.49Å; M116-M166 HydrophobicContact CG-CE 4.12Å; M116-M166 HydrophobicContact SD-CE 4.05Å; K164-M166 HydrophobicContact CD-CG 4.37Å; K164-M166 WeakPolarHBondContact CE-SD 3.39Å; K164-M166 HydrophobicContact CG-CG 4.23Å; K164-M166 PolarHBondContact NZ-SD 2.73Å; M166-H180 WeakPolarHBondContact CA-O 3.43Å; M166-I181 HydrophobicContact CG-CG1 4.15Å; M166-I181 HydrophobicContact CG-CG2 4.39Å; M166-G381 CarbonylContact O-C 3.51Å; M166-G381 VanDerWaalsContact O-CA 3.26Å; M166-G381 WeakPolarHBondContact O-CA 3.19Å; M166-V382 HydrophobicContact CE-CB 4.41Å; M166-V382 HydrophobicContact CE-CG1 4.5Å; M166-V382 PolarHBondContact N-O 3.05Å; M166-V382 PolarHBondContact O-N 2.72Å |
| 167 | D | 88.8 | Confident | 83.1 | Confident | 20 Ų | 20 | 23 Ų | 23 | 11% | 0.107 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 129.8 | 165.2 | -72.7 | -41.2 | 0 | 0 | 0 | 108.9 | Y165 G179 H180 V379 K583 | Y165-D167 WeakPolarHBondContact CE1-OD1 3.38Å; Y165-D167 WeakPolarHBondContact CE1-OD2 3.17Å; Y165-D167 VanDerWaalsContact CZ-OD1 3.26Å; Y165-D167 PolarHBondContact OH-OD1 3.16Å; D167-G179 CarbonylContact O-C 3.56Å; D167-G179 WeakPolarHBondContact O-CA 3.5Å; D167-H180 HydrophobicContact CB-CB 4.39Å; D167-H180 PolarHBondContact N-O 3.02Å; D167-H180 PolarHBondContact O-N 3.36Å; D167-V379 HydrophobicContact CB-CG1 3.71Å; D167-V379 WeakPolarHBondContact OD1-CG1 3.33Å; D167-K583 IonicContact OD1-NZ 3.23Å |
| 168 | I | 87.6 | Confident | 83.3 | Confident | 3 Ų | 3 | 21.6 Ų | 21.6 | 2% | 0.015 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 119.2 | 173.6 | -50.1 | 160.9 | 0 | 0 | 0 | 107.1 | M116 L138 F170 P176 V379 I380 V382 | M116-I168 HydrophobicContact CE-CD1 3.44Å; M116-I168 VanDerWaalsContact CE-CD1 3.44Å; M116-I168 HydrophobicContact CE-CG1 4.09Å; M116-I168 HydrophobicContact SD-CD1 3.42Å; M116-I168 WeakPolarHBondContact SD-CD1 3.42Å; M116-I168 HydrophobicContact SD-CG1 4.47Å; L138-I168 HydrophobicContact CD1-CG2 4.49Å; I168-F170 HydrophobicContact CB-CE2 3.77Å; I168-F170 HydrophobicContact CB-CZ 4.28Å; I168-F170 HydrophobicContact CG2-CD2 4.35Å; I168-F170 HydrophobicContact CG2-CE2 3.54Å; I168-F170 HydrophobicContact CG2-CZ 3.67Å; I168-F170 VanDerWaalsContact O-CD2 3.26Å; I168-F170 WeakPolarHBondContact O-CD2 3.29Å; I168-F170 WeakPolarHBondContact O-CE2 3.47Å; I168-P176 HydrophobicContact CG2-CB 4.09Å; I168-V379 WeakPolarHBondContact O-CA 3.35Å; I168-I380 PolarHBondContact N-O 3.19Å; I168-I380 PolarHBondContact O-N 3.19Å; I168-V382 HydrophobicContact CD1-CG2 4.45Å |
| 169 | N | 87.1 | Confident | 83.4 | Confident | 36 Ų | 36 | 19.9 Ų | 19.9 | 19% | 0.193 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 133.9 | -178.2 | -63.3 | -25.5 | 0 | 0 | 0 | 109.8 | P176 T177 G178 V379 | N169-P176 CarbonylContact O-C 3.54Å; N169-P176 VanDerWaalsContact O-CA 3.3Å; N169-P176 WeakPolarHBondContact O-CA 3.26Å; N169-T177 PolarHBondContact O-N 3.46Å; N169-T177 PolarHBondContact O-OG1 2.84Å; N169-G178 PolarHBondContact N-O 2.65Å; N169-V379 WeakPolarHBondContact OD1-CG2 3.27Å |
| 170 | F | 85.2 | Confident | 83.7 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 141.3 | 177 | -66.9 | -94.4 | 0 | 0 | 0 | 110.6 | Y86 M89 I119 T123 I168 D175 P176 N377 T378 I380 | Y86-F170 HydrophobicContact CD2-CE1 4.39Å; Y86-F170 HydrophobicContact CE2-CD1 4.29Å; Y86-F170 HydrophobicContact CE2-CE1 4.1Å; M89-F170 HydrophobicContact CE-CB 3.79Å; M89-F170 HydrophobicContact CE-CD1 3.65Å; M89-F170 HydrophobicContact CE-CD2 3.73Å; M89-F170 HydrophobicContact CE-CE1 4.15Å; M89-F170 HydrophobicContact CE-CE2 4.24Å; M89-F170 HydrophobicContact CE-CG 3.42Å; M89-F170 VanDerWaalsContact CE-CG 3.42Å; M89-F170 HydrophobicContact CE-CZ 4.43Å; M89-F170 HydrophobicContact SD-CB 3.94Å; M89-F170 HydrophobicContact SD-CD2 4.48Å; M89-F170 HydrophobicContact SD-CG 4.18Å; I119-F170 HydrophobicContact CG2-CE1 4.1Å; I119-F170 HydrophobicContact CG2-CZ 3.56Å; T123-F170 HydrophobicContact CG2-CE1 4.45Å; I168-F170 HydrophobicContact CB-CE2 3.77Å; I168-F170 HydrophobicContact CB-CZ 4.28Å; I168-F170 HydrophobicContact CG2-CD2 4.35Å; I168-F170 HydrophobicContact CG2-CE2 3.54Å; I168-F170 HydrophobicContact CG2-CZ 3.67Å; I168-F170 VanDerWaalsContact O-CD2 3.26Å; I168-F170 WeakPolarHBondContact O-CD2 3.29Å; I168-F170 WeakPolarHBondContact O-CE2 3.47Å; F170-D175 WeakPolarHBondContact CA-O 3.33Å; F170-P176 HydrophobicContact CD1-CB 4.38Å; F170-P176 HydrophobicContact CE1-CB 4.05Å; F170-P176 HydrophobicContact CZ-CB 4.48Å; F170-N377 WeakPolarHBondContact O-CA 3.47Å; F170-N377 PolarHBondContact O-OD1 3.47Å; F170-T378 PolarHBondContact N-O 3.04Å; F170-T378 PolarHBondContact O-N 3.5Å; F170-I380 HydrophobicContact CD2-CD1 4.25Å; F170-I380 HydrophobicContact CD2-CG1 3.92Å; F170-I380 HydrophobicContact CE2-CB 3.77Å; F170-I380 HydrophobicContact CE2-CD1 3.56Å; F170-I380 HydrophobicContact CE2-CG1 3.44Å; F170-I380 VanDerWaalsContact CE2-CG1 3.44Å; F170-I380 HydrophobicContact CZ-CD1 3.78Å; F170-I380 HydrophobicContact CZ-CG1 4.19Å |
| 171 | N | 81.8 | Confident | 84 | Confident | 21 Ų | 21 | 22 Ų | 22 | 11% | 0.112 | 11% | 0.109 | C | C | . | . | trans | -77.2 | 174.3 | 167.3 | 65.8 | 21.4 | 0 | 0 | 0 | 111.3 | N173 G174 D175 T177 | N171-N173 PolarHBondContact O-N 3.15Å; N171-N173 VanDerWaalsContact O-N 3.15Å; N171-N173 WeakPolarHBondContact OD1-CA 3.4Å; N171-N173 WeakPolarHBondContact OD1-CB 3.23Å; N171-N173 PolarHBondContact OD1-N 3.47Å; N171-G174 WeakPolarHBondContact O-CA 3.25Å; N171-G174 PolarHBondContact O-N 3.48Å; N171-G174 PolarHBondContact OD1-N 3.42Å; N171-D175 PolarHBondContact N-O 3.26Å; N171-D175 PolarHBondContact OD1-N 2.87Å; N171-D175 PolarHBondContact OD1-O 3.26Å; N171-T177 HydrophobicContact CB-CG2 3.71Å | ||
| 172 | F | 78.4 | Confident | 84.1 | Confident | 146 Ų | 146 | 22.4 Ų | 22.4 | 64% | 0.64 | 11% | 0.113 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -24.2 | 178.3 | 85 | -88.5 | 0 | 0 | 0 | 114.2 | G174 | F172-G174 PolarHBondContact O-N 2.92Š|
| 173 | N | 77.4 | Confident | 84.1 | Confident | 62 Ų | 62 | 24.7 Ų | 24.7 | 33% | 0.332 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -14.5 | 175.3 | -69.7 | -39.1 | 0 | 0 | 0 | 112.3 | K90 N171 | K90-N173 VanDerWaalsContact CE-O 3.3Å; K90-N173 WeakPolarHBondContact CE-O 3.18Å; K90-N173 PolarHBondContact NZ-O 3.03Å; N171-N173 PolarHBondContact O-N 3.15Å; N171-N173 VanDerWaalsContact O-N 3.15Å; N171-N173 WeakPolarHBondContact OD1-CA 3.4Å; N171-N173 WeakPolarHBondContact OD1-CB 3.23Å; N171-N173 PolarHBondContact OD1-N 3.47Å |
| 174 | G | 78.1 | Confident | 84 | Confident | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | S | Bend | trans | 83.3 | 27.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y86 N171 F172 | Y86-G174 WeakPolarHBondContact CE2-O 3.29Å; Y86-G174 PolarHBondContact OH-O 3.38Å; N171-G174 WeakPolarHBondContact O-CA 3.25Å; N171-G174 PolarHBondContact O-N 3.48Å; N171-G174 PolarHBondContact OD1-N 3.42Å; F172-G174 PolarHBondContact O-N 2.92Å |
| 175 | D | 79.6 | Confident | 83.4 | Confident | 3 Ų | 3 | 27.1 Ų | 27.1 | 2% | 0.016 | 14% | 0.137 | C | C | . | . | trans | -102.5 | 140.8 | 174.8 | -62 | -49.8 | 0 | 0 | 0 | 110.6 | N124 V131 F170 N171 T177 | N124-D175 VanDerWaalsContact CB-OD1 3.29Å; N124-D175 WeakPolarHBondContact CB-OD1 3.4Å; N124-D175 PolarHBondContact N-OD1 3.15Å; N124-D175 PolarHBondContact ND2-OD1 2.86Å; N124-D175 PolarHBondContact ND2-OD2 2.99Å; V131-D175 HydrophobicContact CG2-CB 4.43Å; F170-D175 WeakPolarHBondContact CA-O 3.33Å; N171-D175 PolarHBondContact N-O 3.26Å; N171-D175 PolarHBondContact OD1-N 2.87Å; N171-D175 PolarHBondContact OD1-O 3.26Å; D175-T177 PolarHBondContact O-N 2.84Å | ||
| 176 | P | 80.4 | Confident | 83.3 | Confident | 13 Ų | 13 | 27.9 Ų | 27.9 | 8% | 0.084 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 123.2 | -176.7 | 30.2 | -34.4 | 0 | 0 | 0 | 109.4 | T123 V131 I168 N169 F170 | T123-P176 VanDerWaalsContact CG2-CD 3.44Å; T123-P176 HydrophobicContact CG2-CG 4.22Å; V131-P176 HydrophobicContact CG1-CG 3.84Å; I168-P176 HydrophobicContact CG2-CB 4.09Å; N169-P176 CarbonylContact O-C 3.54Å; N169-P176 VanDerWaalsContact O-CA 3.3Å; N169-P176 WeakPolarHBondContact O-CA 3.26Å; F170-P176 HydrophobicContact CD1-CB 4.38Å; F170-P176 HydrophobicContact CE1-CB 4.05Å; F170-P176 HydrophobicContact CZ-CB 4.48Å |
| 177 | T | 79.4 | Confident | 83 | Confident | 43 Ų | 43 | 28.7 Ų | 28.7 | 26% | 0.264 | 15% | 0.145 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | -28.8 | -178.6 | 50.5 | 0 | 0 | 0 | 0 | 112.5 | N169 N171 D175 V366 | N169-T177 PolarHBondContact O-N 3.46Å; N169-T177 PolarHBondContact O-OG1 2.84Å; N171-T177 HydrophobicContact CB-CG2 3.71Å; D175-T177 PolarHBondContact O-N 2.84Å; T177-V366 WeakPolarHBondContact O-CG2 3.3Å |
| 178 | G | 83.2 | Confident | 82.9 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.3 | -157.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111 | N169 I364 | N169-G178 PolarHBondContact N-O 2.65Å; G178-I364 VanDerWaalsContact CA-O 3.24Å; G178-I364 WeakPolarHBondContact CA-O 3.21Å |
| 179 | G | 85.3 | Confident | 82.7 | Confident | 2 Ų | 2 | 30.5 Ų | 30.5 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.3 | 172.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | D167 I364 | D167-G179 CarbonylContact O-C 3.56Å; D167-G179 WeakPolarHBondContact O-CA 3.5Å; G179-I364 VanDerWaalsContact N-CG2 3.31Å; G179-I364 WeakPolarHBondContact O-CG2 3.36Å |
| 180 | H | 87.9 | Confident | 82.7 | Confident | 72 Ų | 72 | 29.2 Ų | 29.2 | 33% | 0.333 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 129.9 | -176.6 | -175.6 | -76.1 | 0 | 0 | 0 | 110.5 | M166 D167 N182 N361 | M166-H180 WeakPolarHBondContact CA-O 3.43Å; D167-H180 HydrophobicContact CB-CB 4.39Å; D167-H180 PolarHBondContact N-O 3.02Å; D167-H180 PolarHBondContact O-N 3.36Å; H180-N182 PolarHBondContact CE1-OD1 3.19Å; H180-N182 PolarHBondContact ND1-ND2 2.89Å; H180-N182 PolarHBondContact ND1-OD1 2.99Å; H180-N361 PolarHBondContact NE2-ND2 3.45Å |
| 181 | I | 89.1 | Confident | 83 | Confident | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 122.1 | 178.3 | -50.5 | -176.4 | 0 | 0 | 0 | 108.9 | L145 K164 Y165 M166 V357 I360 N361 I364 | L145-I181 HydrophobicContact CD1-CD1 4.07Å; L145-I181 HydrophobicContact CD1-CG2 4.36Å; K164-I181 HydrophobicContact CG-CG2 4.11Å; Y165-I181 CarbonylContact O-C 3.38Å; Y165-I181 WeakPolarHBondContact O-CA 3.47Å; M166-I181 HydrophobicContact CG-CG1 4.15Å; M166-I181 HydrophobicContact CG-CG2 4.39Å; I181-V357 HydrophobicContact CB-CG1 4.3Å; I181-V357 HydrophobicContact CG2-CG1 4.32Å; I181-V357 WeakPolarHBondContact O-CG1 3.33Å; I181-I360 HydrophobicContact CD1-CG2 3.86Å; I181-N361 WeakPolarHBondContact CB-OD1 3.28Å; I181-N361 PolarHBondContact N-OD1 2.87Å; I181-N361 PolarHBondContact O-ND2 3.02Å; I181-I364 HydrophobicContact CD1-CD1 4.37Å |
| 182 | N | 86.8 | Confident | 83.4 | Confident | 24 Ų | 24 | 29.3 Ų | 29.3 | 13% | 0.128 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 127.3 | 169.1 | -55.7 | -91.5 | 0 | 0 | 0 | 108.3 | Y165 H180 Y184 K579 | Y165-N182 PolarHBondContact N-O 2.75Å; Y165-N182 PolarHBondContact O-N 2.77Å; H180-N182 PolarHBondContact CE1-OD1 3.19Å; H180-N182 PolarHBondContact ND1-ND2 2.89Å; H180-N182 PolarHBondContact ND1-OD1 2.99Å; N182-Y184 HydrophobicContact CB-CE2 3.66Å; N182-K579 PolarHBondContact OD1-NZ 3.03Å |
| 183 | N | 86.4 | Confident | 83.7 | Confident | 58 Ų | 58 | 29 Ų | 29 | 31% | 0.31 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 141.9 | 173 | 63.2 | -54.5 | 0 | 0 | 0 | 110.3 | F162 G163 F353 V357 | F162-N183 HydrophobicContact CD2-CB 4.27Å; G163-N183 CarbonylContact O-C 3.58Å; G163-N183 WeakPolarHBondContact O-CA 3.14Å; N183-F353 HydrophobicContact CB-CE1 3.94Å; N183-V357 HydrophobicContact CB-CG2 4.25Å |
| 184 | Y | 79.4 | Confident | 84 | Confident | 18 Ų | 18 | 26.6 Ų | 26.6 | 7% | 0.071 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 135.4 | -179.3 | -59.7 | -82.5 | 0 | 0 | 0 | 109.9 | G163 N182 L576 | G163-Y184 PolarHBondContact N-O 2.84Å; G163-Y184 PolarHBondContact O-N 3.5Å; N182-Y184 HydrophobicContact CB-CE2 3.66Å; Y184-L576 HydrophobicContact CD2-CD2 4.47Å; Y184-L576 HydrophobicContact CE1-CB 4.14Å; Y184-L576 HydrophobicContact CE2-CD1 4.05Å; Y184-L576 HydrophobicContact CE2-CD2 4.22Å |
| 185 | L | 74.2 | Confident | 84 | Confident | 43 Ų | 43 | 31 Ų | 31 | 23% | 0.225 | 16% | 0.157 | C | C | . | . | trans | 45.2 | 74.9 | 169.6 | -155 | 170 | 0 | 0 | 0 | 113.7 | F162 Y386 C400 I401 F569 | F162-L185 WeakPolarHBondContact CA-O 3.48Å; L185-Y386 HydrophobicContact CB-CE1 4.06Å; L185-Y386 WeakPolarHBondContact CB-OH 3.34Å; L185-C400 HydrophobicContact CD1-CB 3.67Å; L185-I401 HydrophobicContact CD1-CG1 4.48Å; L185-F569 HydrophobicContact CB-CD2 4.03Å; L185-F569 HydrophobicContact CB-CE2 3.71Å; L185-F569 HydrophobicContact CD1-CD1 4.42Å; L185-F569 HydrophobicContact CD1-CD2 3.57Å; L185-F569 HydrophobicContact CD1-CE1 4.08Å; L185-F569 HydrophobicContact CD1-CE2 3.19Å; L185-F569 HydrophobicContact CD1-CG 4.16Å; L185-F569 HydrophobicContact CD1-CZ 3.43Å; L185-F569 VanDerWaalsContact CD1-CZ 3.43Å; L185-F569 HydrophobicContact CG-CD2 4.05Å; L185-F569 HydrophobicContact CG-CE2 3.92Å | ||
| 186 | L | 85.8 | Confident | 84 | Confident | 16 Ų | 16 | 39.8 Ų | 39.8 | 8% | 0.084 | 20% | 0.197 | C | C | . | . | trans | -70.8 | 128.6 | 165.3 | -177.1 | 70.5 | 0 | 0 | 0 | 108.9 | F162 K188 F201 Y349 F353 | F162-L186 HydrophobicContact CB-CD1 4.08Å; L186-K188 PolarHBondContact O-N 3.21Å; L186-F201 HydrophobicContact CD1-CE1 3.84Å; L186-F201 HydrophobicContact CD1-CZ 3.76Å; L186-F201 HydrophobicContact CG-CZ 4.16Å; L186-Y349 HydrophobicContact CD2-CD1 3.9Å; L186-Y349 HydrophobicContact CD2-CE1 4.08Å; L186-F353 HydrophobicContact CB-CD1 4.4Å; L186-F353 HydrophobicContact CD1-CD1 4.1Å; L186-F353 HydrophobicContact CD1-CE1 4.14Å; L186-F353 HydrophobicContact CD1-CG 4.42Å; L186-F353 HydrophobicContact CD2-CB 3.86Å; L186-F353 HydrophobicContact CD2-CD1 3.86Å; L186-F353 HydrophobicContact CD2-CG 3.98Å; L186-F353 HydrophobicContact CG-CD1 4.35Å | ||
| 187 | E | 82.1 | Confident | 83.9 | Confident | 20 Ų | 20 | 40.7 Ų | 40.7 | 9% | 0.093 | 21% | 0.209 | C | C | . | . | trans | -71.5 | 69.5 | 175.5 | -169.5 | -167.6 | -145.9 | 0 | 0 | 111.6 | R161 S189 R190 | R161-E187 HydrophobicContact CB-CB 4Å; R161-E187 IonicContact CZ-OE1 2.86Å; R161-E187 IonicContact CZ-OE2 3.54Å; R161-E187 IonicContact NE-OE1 3.15Å; R161-E187 IonicContact NE-OE2 3.64Å; R161-E187 PolarHBondContact NE-OE2 3.15Å; R161-E187 IonicContact NH2-OE1 2.72Å; R161-E187 PolarHBondContact NH2-OE1 3.15Å; R161-E187 IonicContact NH2-OE2 2.98Å; R161-E187 PolarHBondContact NH2-OE2 2.98Å; R161-E187 PolarHBondContact O-N 3.32Å; E187-S189 PolarHBondContact O-N 2.62Å; E187-R190 HydrophobicContact CG-CB 4.37Å; E187-R190 VanDerWaalsContact O-CB 3.28Å; E187-R190 WeakPolarHBondContact O-CB 3.32Å; E187-R190 PolarHBondContact O-N 3.22Å; E187-R190 VanDerWaalsContact O-N 3.17Å; E187-R190 IonicContact OE1-NH2 3.83Å; E187-R190 PolarHBondContact OE1-NH2 2.68Å; E187-R190 IonicContact OE2-CZ 2.8Å; E187-R190 VanDerWaalsContact OE2-CZ 3.27Å; E187-R190 IonicContact OE2-NE 3.73Å; E187-R190 PolarHBondContact OE2-NE 2.75Å; E187-R190 IonicContact OE2-NH2 3.67Å; E187-R190 PolarHBondContact OE2-NH2 3.17Å | ||
| 188 | K | 85.1 | Confident | 84.2 | Confident | 33 Ų | 33 | 39.3 Ų | 39.3 | 14% | 0.143 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -64.7 | -22.8 | -175.8 | 64.5 | -177.1 | 174.1 | 179.3 | 0 | 114 | L186 R190 V191 K346 E350 D526 | L186-K188 PolarHBondContact O-N 3.21Å; K188-R190 PolarHBondContact O-N 3.43Å; K188-V191 WeakPolarHBondContact O-CB 3.1Å; K188-V191 VanDerWaalsContact O-CG2 3.31Å; K188-V191 WeakPolarHBondContact O-CG2 3.5Å; K188-V191 PolarHBondContact O-N 3.22Å; K188-K346 HydrophobicContact CB-CB 4.35Å; K188-K346 HydrophobicContact CD-CB 4.3Å; K188-K346 HydrophobicContact CG-CB 4.4Å; K188-E350 HydrophobicContact CD-CB 4.44Å; K188-E350 VanDerWaalsContact CD-OE2 3.27Å; K188-E350 WeakPolarHBondContact CD-OE2 3.45Å; K188-E350 IonicContact NZ-OE1 3.29Å; K188-E350 IonicContact NZ-OE2 2.84Å; K188-E350 PolarHBondContact NZ-OE2 3.44Å; K188-D526 VanDerWaalsContact CE-OD1 3.29Å; K188-D526 WeakPolarHBondContact CE-OD1 3.37Å; K188-D526 WeakPolarHBondContact CE-OD2 3.17Å; K188-D526 IonicContact NZ-OD1 2.76Å; K188-D526 PolarHBondContact NZ-OD1 2.98Å; K188-D526 IonicContact NZ-OD2 2.75Å; K188-D526 PolarHBondContact NZ-OD2 3.39Å |
| 189 | S | 83.4 | Confident | 84.6 | Confident | 27 Ų | 27 | 39.4 Ų | 39.4 | 19% | 0.189 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -58 | -29.6 | 175 | 46.4 | 0 | 0 | 0 | 0 | 112.3 | E187 V191 V192 Q193 E397 | E187-S189 PolarHBondContact O-N 2.62Å; S189-V191 PolarHBondContact O-N 2.83Å; S189-V192 WeakPolarHBondContact O-CG2 3.24Å; S189-V192 PolarHBondContact O-N 3.23Å; S189-Q193 PolarHBondContact O-N 2.87Å; S189-E397 WeakPolarHBondContact CB-OE1 3.48Å; S189-E397 PolarHBondContact OG-OE1 3.29Å |
| 190 | R | 87.6 | Confident | 84.9 | Confident | 10 Ų | 10 | 39.3 Ų | 39.3 | 4% | 0.038 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -59.9 | -25.4 | 174.8 | -175.2 | 173 | -64.7 | -77.8 | -12.2 | 114.1 | A151 E187 K188 V192 Q193 Q194 E198 R199 N200 F201 | A151-R190 VanDerWaalsContact CB-CD 3.47Å; E187-R190 HydrophobicContact CG-CB 4.37Å; E187-R190 VanDerWaalsContact O-CB 3.28Å; E187-R190 WeakPolarHBondContact O-CB 3.32Å; E187-R190 PolarHBondContact O-N 3.22Å; E187-R190 VanDerWaalsContact O-N 3.17Å; E187-R190 IonicContact OE1-NH2 3.83Å; E187-R190 PolarHBondContact OE1-NH2 2.68Å; E187-R190 IonicContact OE2-CZ 2.8Å; E187-R190 VanDerWaalsContact OE2-CZ 3.27Å; E187-R190 IonicContact OE2-NE 3.73Å; E187-R190 PolarHBondContact OE2-NE 2.75Å; E187-R190 IonicContact OE2-NH2 3.67Å; E187-R190 PolarHBondContact OE2-NH2 3.17Å; K188-R190 PolarHBondContact O-N 3.43Å; R190-V192 PolarHBondContact O-N 2.84Å; R190-Q193 WeakPolarHBondContact CA-O 3.31Å; R190-Q194 HydrophobicContact CG-CG 4.36Å; R190-Q194 PolarHBondContact O-NE2 2.86Å; R190-E198 IonicContact CZ-OE2 3.99Å; R190-E198 VanDerWaalsContact CZ-OE2 3.25Å; R190-E198 IonicContact NH1-OE2 3.04Å; R190-E198 PolarHBondContact NH1-OE2 2.76Å; R190-E198 IonicContact NH2-OE2 3.06Å; R190-E198 PolarHBondContact NH2-OE2 3.43Å; R190-R199 PolarHBondContact NH1-O 3.44Å; R190-N200 PolarHBondContact O-ND2 3.1Å; R190-N200 PolarHBondContact O-OD1 2.77Å; R190-F201 HydrophobicContact CB-CE2 4.23Å; R190-F201 HydrophobicContact CB-CZ 4.49Å |
| 191 | V | 91.5 | Very high | 85.2 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -59.5 | -37.2 | 179.4 | 177.7 | 0 | 0 | 0 | 0 | 110.7 | K188 S189 N200 F201 F204 Y230 I274 A345 Y349 | K188-V191 WeakPolarHBondContact O-CB 3.1Å; K188-V191 VanDerWaalsContact O-CG2 3.31Å; K188-V191 WeakPolarHBondContact O-CG2 3.5Å; K188-V191 PolarHBondContact O-N 3.22Å; S189-V191 PolarHBondContact O-N 2.83Å; V191-N200 PolarHBondContact O-ND2 3.12Å; V191-F201 HydrophobicContact CG2-CD2 4.19Å; V191-F201 HydrophobicContact CG2-CE2 3.84Å; V191-F204 HydrophobicContact CG1-CZ 4.42Å; V191-Y230 WeakPolarHBondContact O-CB 3.42Å; V191-I274 HydrophobicContact CG1-CG2 3.88Å; V191-A345 HydrophobicContact CG1-CB 4.49Å; V191-Y349 HydrophobicContact CG2-CD1 3.74Å; V191-Y349 HydrophobicContact CG2-CD2 4.33Å; V191-Y349 HydrophobicContact CG2-CE1 4.49Å; V191-Y349 HydrophobicContact CG2-CG 3.66Å |
| 192 | V | 90.1 | Very high | 85.4 | Confident | 23 Ų | 23 | 36.5 Ų | 36.5 | 14% | 0.139 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | -27.1 | -173.4 | -54.3 | 0 | 0 | 0 | 0 | 113.8 | S189 R190 Y230 D342 A345 K346 | S189-V192 WeakPolarHBondContact O-CG2 3.24Å; S189-V192 PolarHBondContact O-N 3.23Å; R190-V192 PolarHBondContact O-N 2.84Å; V192-Y230 HydrophobicContact CB-CD1 4.07Å; V192-Y230 HydrophobicContact CB-CE1 3.7Å; V192-Y230 HydrophobicContact CG1-CD1 4.34Å; V192-Y230 HydrophobicContact CG1-CE1 3.74Å; V192-Y230 HydrophobicContact CG1-CE2 4.39Å; V192-D342 HydrophobicContact CB-CB 4.46Å; V192-D342 HydrophobicContact CG1-CB 3.99Å; V192-A345 HydrophobicContact CG1-CB 4.23Å; V192-K346 HydrophobicContact CG1-CD 4.5Å; V192-K346 HydrophobicContact CG1-CG 3.91Å; V192-K346 HydrophobicContact CG2-CD 4.48Å |
| 193 | Q | 84.1 | Confident | 85.8 | Confident | 139 Ų | 139 | 35.5 Ų | 35.5 | 65% | 0.65 | 18% | 0.181 | S | C | * | . | trans | -139.5 | 134.4 | -174.5 | -172.7 | 176.6 | 16.2 | 0 | 0 | 110.3 | S189 R190 | S189-Q193 PolarHBondContact O-N 2.87Å; R190-Q193 WeakPolarHBondContact CA-O 3.31Å | ||
| 194 | Q | 84.6 | Confident | 86.2 | Confident | 12 Ų | 12 | 32.7 Ų | 32.7 | 6% | 0.056 | 17% | 0.166 | C | C | . | . | trans | -120.4 | 159.1 | 174.7 | -58.2 | 90.1 | 40.7 | 0 | 0 | 110.4 | R190 N200 Y230 E233 | R190-Q194 HydrophobicContact CG-CG 4.36Å; R190-Q194 PolarHBondContact O-NE2 2.86Å; Q194-N200 HydrophobicContact CG-CB 4.38Å; Q194-N200 PolarHBondContact NE2-ND2 2.89Å; Q194-N200 VanDerWaalsContact NE2-ND2 3.15Å; Q194-Y230 PolarHBondContact NE2-O 2.97Å; Q194-Y230 PolarHBondContact OE1-O 3.49Å; Q194-E233 PolarHBondContact N-OE2 2.97Å; Q194-E233 VanDerWaalsContact N-OE2 3.13Å | ||
| 195 | Q | 78 | Confident | 86.8 | Confident | 94 Ų | 94 | 31.9 Ų | 31.9 | 44% | 0.439 | 16% | 0.163 | S | C | . | . | trans | -82.4 | 156.9 | 168.8 | -68.4 | -173.4 | -5.5 | 0 | 0 | 110 | G197 E198 | Q195-G197 PolarHBondContact O-N 2.77Å; Q195-E198 HydrophobicContact CB-CG 3.98Å; Q195-E198 WeakPolarHBondContact O-CB 3.45Å; Q195-E198 PolarHBondContact O-N 2.65Å | ||
| 196 | E | 79.3 | Confident | 87.7 | Confident | 186 Ų | 186 | 30.5 Ų | 30.5 | 87% | 0.869 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 127.9 | 176.4 | -167.6 | 177.2 | 177.6 | 0 | 0 | 110.8 | N154 E198 | N154-E196 PolarHBondContact ND2-O 3.35Å; N154-E196 PolarHBondContact OD1-O 2.73Å; E196-E198 VanDerWaalsContact C-N 3.35Å |
| 197 | G | 79.4 | Confident | 88.1 | Confident | 32 Ų | 32 | 29.8 Ų | 29.8 | 33% | 0.33 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.4 | -11.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | N154 Q195 | N154-G197 WeakPolarHBondContact OD1-CA 3.38Å; Q195-G197 PolarHBondContact O-N 2.77Å |
| 198 | E | 85.7 | Confident | 88.5 | Confident | 15 Ų | 15 | 28.9 Ų | 28.9 | 7% | 0.07 | 15% | 0.147 | C | C | . | . | trans | -89.7 | 168.3 | 177.9 | -56.3 | -155.5 | 142.1 | 0 | 0 | 113 | K152 T153 N154 R190 Q195 E196 G234 | K152-E198 WeakPolarHBondContact O-CB 3.23Å; T153-E198 VanDerWaalsContact CA-OE1 3.28Å; T153-E198 WeakPolarHBondContact CA-OE1 3.25Å; T153-E198 WeakPolarHBondContact CB-OE1 3.18Å; T153-E198 WeakPolarHBondContact CG2-OE1 3.2Å; N154-E198 PolarHBondContact N-OE1 3.37Å; R190-E198 IonicContact CZ-OE2 3.99Å; R190-E198 VanDerWaalsContact CZ-OE2 3.25Å; R190-E198 IonicContact NH1-OE2 3.04Å; R190-E198 PolarHBondContact NH1-OE2 2.76Å; R190-E198 IonicContact NH2-OE2 3.06Å; R190-E198 PolarHBondContact NH2-OE2 3.43Å; Q195-E198 HydrophobicContact CB-CG 3.98Å; Q195-E198 WeakPolarHBondContact O-CB 3.45Å; Q195-E198 PolarHBondContact O-N 2.65Å; E196-E198 VanDerWaalsContact C-N 3.35Å; E198-G234 VanDerWaalsContact O-CA 3.26Å; E198-G234 WeakPolarHBondContact O-CA 3.18Å | ||
| 199 | R | 90.1 | Very high | 88.8 | Confident | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.008 | 16% | 0.155 | C | C | . | . | trans | -117.7 | 163.7 | 170 | -68.7 | -168.6 | 178.6 | 177.5 | 6.4 | 111.2 | K152 R190 Y205 A237 T239 D243 | K152-R199 HydrophobicContact CB-CB 4.04Å; K152-R199 HydrophobicContact CB-CG 4.14Å; K152-R199 HydrophobicContact CD-CG 4.38Å; K152-R199 PolarHBondContact O-N 3.1Å; R190-R199 PolarHBondContact NH1-O 3.44Å; R199-Y205 HydrophobicContact CB-CE2 3.69Å; R199-Y205 HydrophobicContact CG-CE2 4.22Å; R199-A237 HydrophobicContact CG-CB 3.96Å; R199-A237 PolarHBondContact NE-O 3.21Å; R199-A237 PolarHBondContact NH2-O 3.17Å; R199-T239 VanDerWaalsContact NH1-CG2 3.35Å; R199-T239 PolarHBondContact NH1-OG1 3.4Å; R199-T239 PolarHBondContact NH2-OG1 2.98Å; R199-D243 IonicContact NH1-OD1 2.96Å; R199-D243 IonicContact NH1-OD2 3.17Å; R199-D243 PolarHBondContact NH1-OD2 3.11Å | ||
| 200 | N | 92.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | -70 | -178.5 | 161.9 | -150.9 | -27.3 | 0 | 0 | 0 | 110.7 | R190 V191 Q194 F204 Y205 Y230 T231 | R190-N200 PolarHBondContact O-ND2 3.1Å; R190-N200 PolarHBondContact O-OD1 2.77Å; V191-N200 PolarHBondContact O-ND2 3.12Å; Q194-N200 HydrophobicContact CG-CB 4.38Å; Q194-N200 PolarHBondContact NE2-ND2 2.89Å; Q194-N200 VanDerWaalsContact NE2-ND2 3.15Å; N200-F204 HydrophobicContact CB-CD2 4.14Å; N200-Y205 HydrophobicContact CB-CE2 3.89Å; N200-Y205 PolarHBondContact N-OH 3.5Å; N200-Y205 WeakPolarHBondContact O-CE2 3.48Å; N200-Y230 PolarHBondContact ND2-O 2.96Å; N200-T231 HydrophobicContact CB-CG2 4.37Å | ||
| 201 | F | 94.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | B | Isolated β-bridge | trans | -56.2 | 145.1 | 177.1 | -66.1 | -76.5 | 0 | 0 | 0 | 112.5 | F148 N150 R161 L186 R190 V191 S203 F204 Y205 Y349 | F148-F201 WeakPolarHBondContact O-CD1 3.41Å; N150-F201 WeakPolarHBondContact O-CA 3.4Å; R161-F201 HydrophobicContact CB-CE1 4.15Å; L186-F201 HydrophobicContact CD1-CE1 3.84Å; L186-F201 HydrophobicContact CD1-CZ 3.76Å; L186-F201 HydrophobicContact CG-CZ 4.16Å; R190-F201 HydrophobicContact CB-CE2 4.23Å; R190-F201 HydrophobicContact CB-CZ 4.49Å; V191-F201 HydrophobicContact CG2-CD2 4.19Å; V191-F201 HydrophobicContact CG2-CE2 3.84Å; F201-S203 PolarHBondContact O-N 3.04Å; F201-F204 HydrophobicContact CB-CD2 4.21Å; F201-F204 HydrophobicContact CB-CE2 4.36Å; F201-F204 HydrophobicContact CD2-CE2 4.4Å; F201-F204 PolarHBondContact O-N 3.32Å; F201-Y205 WeakPolarHBondContact O-CD2 3.37Å; F201-Y349 WeakPolarHBondContact CB-OH 3.35Å; F201-Y349 HydrophobicContact CD1-CE1 4.34Å; F201-Y349 HydrophobicContact CD2-CD1 4.1Å; F201-Y349 AromaticContact CD2-CE1 3.36Å; F201-Y349 HydrophobicContact CD2-CE1 3.36Å; F201-Y349 HydrophobicContact CD2-CE2 4.26Å; F201-Y349 AromaticContact CD2-CZ 3.47Å; F201-Y349 VanDerWaalsContact CD2-CZ 3.47Å; F201-Y349 HydrophobicContact CE1-CE1 4.43Å; F201-Y349 AromaticContact CE2-CD1 3.96Å; F201-Y349 HydrophobicContact CE2-CD1 3.96Å; F201-Y349 AromaticContact CE2-CE1 3.48Å; F201-Y349 HydrophobicContact CE2-CE1 3.48Å; F201-Y349 VanDerWaalsContact CE2-CE1 3.48Å; F201-Y349 AromaticContact CG-CE1 3.83Å; F201-Y349 HydrophobicContact CG-CE1 3.83Å; F201-Y349 AromaticContact CG-CZ 3.67Å; F201-Y349 VanDerWaalsContact CG-OH 3.23Å; F201-Y349 WeakPolarHBondContact CG-OH 3.47Å; F201-Y349 HydrophobicContact CZ-CE1 4.04Å |
| 202 | H | 93.4 | Very high | 88.8 | Confident | 14 Ų | 14 | 33.3 Ų | 33.3 | 7% | 0.065 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.7 | -30.6 | -174.6 | -62.9 | -43 | 0 | 0 | 0 | 113.4 | A147 N150 K152 D157 N158 F204 Y205 Q206 | A147-H202 CarbonylContact O-C 3.59Å; A147-H202 PolarHBondContact O-N 3.23Å; N150-H202 PolarHBondContact O-CD2 3.22Å; N150-H202 VanDerWaalsContact O-CD2 3.32Å; N150-H202 PolarHBondContact O-N 3.49Å; N150-H202 VanDerWaalsContact O-N 3.12Å; K152-H202 PolarHBondContact N-CE1 2.9Å; D157-H202 PolarHBondContact O-CE1 2.82Å; D157-H202 PolarHBondContact O-NE2 2.86Å; N158-H202 PolarHBondContact OD1-NE2 3.42Å; H202-F204 VanDerWaalsContact C-N 3.26Å; H202-F204 PolarHBondContact O-N 3.08Å; H202-Y205 PolarHBondContact O-N 2.99Å; H202-Y205 VanDerWaalsContact O-N 3.15Å; H202-Q206 WeakPolarHBondContact O-CB 3.01Å; H202-Q206 WeakPolarHBondContact O-CG 3.31Å; H202-Q206 PolarHBondContact O-N 3.42Å |
| 203 | S | 95 | Very high | 88.7 | Confident | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -49.9 | -42.3 | 177.9 | 56.5 | 0 | 0 | 0 | 0 | 112.9 | A147 F201 L207 Y349 | A147-S203 WeakPolarHBondContact O-CB 3.41Å; A147-S203 PolarHBondContact O-N 3.42Å; F201-S203 PolarHBondContact O-N 3.04Å; S203-L207 WeakPolarHBondContact O-CB 3.38Å; S203-L207 PolarHBondContact O-N 2.88Å; S203-Y349 PolarHBondContact OG-OH 2.93Å; S203-Y349 VanDerWaalsContact OG-OH 3.06Å |
| 204 | F | 94.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.5 | -49.5 | 178.1 | -65.3 | -66.3 | 0 | 0 | 0 | 112.2 | V191 N200 F201 H202 L207 L208 T231 L271 I274 L275 Y349 | V191-F204 HydrophobicContact CG1-CZ 4.42Å; N200-F204 HydrophobicContact CB-CD2 4.14Å; F201-F204 HydrophobicContact CB-CD2 4.21Å; F201-F204 HydrophobicContact CB-CE2 4.36Å; F201-F204 HydrophobicContact CD2-CE2 4.4Å; F201-F204 PolarHBondContact O-N 3.32Å; H202-F204 VanDerWaalsContact C-N 3.26Å; H202-F204 PolarHBondContact O-N 3.08Å; F204-L207 PolarHBondContact O-N 3.07Å; F204-L208 VanDerWaalsContact O-CG 3.29Å; F204-L208 WeakPolarHBondContact O-CG 3.12Å; F204-L208 PolarHBondContact O-N 3.45Å; F204-T231 HydrophobicContact CB-CG2 3.89Å; F204-T231 HydrophobicContact CG-CG2 4.28Å; F204-L271 HydrophobicContact CD1-CD2 4.23Å; F204-L271 HydrophobicContact CE1-CD2 3.81Å; F204-L271 HydrophobicContact CZ-CD2 4.2Å; F204-I274 HydrophobicContact CE1-CB 4.29Å; F204-I274 HydrophobicContact CE1-CG2 3.97Å; F204-I274 HydrophobicContact CZ-CG2 3.89Å; F204-L275 HydrophobicContact CD1-CD1 4.08Å; F204-L275 HydrophobicContact CD1-CD2 3.65Å; F204-L275 HydrophobicContact CD1-CG 3.75Å; F204-L275 HydrophobicContact CE1-CD2 4.1Å; F204-L275 HydrophobicContact CE1-CG 4.09Å; F204-L275 HydrophobicContact CG-CD2 4.26Å; F204-Y349 HydrophobicContact CE1-CE2 4.45Å; F204-Y349 HydrophobicContact CE2-CD2 4.01Å; F204-Y349 AromaticContact CE2-CE2 3.64Å; F204-Y349 HydrophobicContact CE2-CE2 3.64Å; F204-Y349 AromaticContact CZ-CD2 3.59Å; F204-Y349 HydrophobicContact CZ-CD2 3.59Å; F204-Y349 AromaticContact CZ-CE2 3.58Å; F204-Y349 HydrophobicContact CZ-CE2 3.58Å |
| 205 | Y | 92.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70.5 | -35.6 | -178.7 | -57.9 | -84.3 | 0 | 0 | 0 | 112.1 | R199 N200 F201 H202 L208 R209 A225 T231 | R199-Y205 HydrophobicContact CB-CE2 3.69Å; R199-Y205 HydrophobicContact CG-CE2 4.22Å; N200-Y205 HydrophobicContact CB-CE2 3.89Å; N200-Y205 PolarHBondContact N-OH 3.5Å; N200-Y205 WeakPolarHBondContact O-CE2 3.48Å; F201-Y205 WeakPolarHBondContact O-CD2 3.37Å; H202-Y205 PolarHBondContact O-N 2.99Å; H202-Y205 VanDerWaalsContact O-N 3.15Å; Y205-L208 PolarHBondContact O-N 3.32Å; Y205-R209 WeakPolarHBondContact O-CB 3.2Å; Y205-R209 PolarHBondContact O-N 3.26Å; Y205-A225 HydrophobicContact CD1-CB 4.13Å; Y205-A225 HydrophobicContact CE1-CB 4.11Å; Y205-T231 HydrophobicContact CE1-CG2 4.49Å; Y205-T231 PolarHBondContact OH-O 3.06Å |
| 206 | Q | 92.6 | Very high | 89.8 | Confident | 14 Ų | 14 | 38 Ų | 38 | 7% | 0.065 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.7 | -40 | 174.4 | -72.5 | 175.6 | 19 | 0 | 0 | 111.5 | H202 G210 H247 | H202-Q206 WeakPolarHBondContact O-CB 3.01Å; H202-Q206 WeakPolarHBondContact O-CG 3.31Å; H202-Q206 PolarHBondContact O-N 3.42Å; Q206-G210 WeakPolarHBondContact O-CA 3.42Å; Q206-G210 PolarHBondContact O-N 2.86Å; Q206-H247 HydrophobicContact CB-CB 4.01Å; Q206-H247 WeakPolarHBondContact O-CB 3.36Å; Q206-H247 PolarHBondContact O-ND1 3.37Å |
| 207 | L | 93.1 | Very high | 90.4 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.4 | -54.8 | 172.7 | 175.4 | 58.1 | 0 | 0 | 0 | 111.2 | S203 F204 R209 G211 L219 L221 Y268 L271 | S203-L207 WeakPolarHBondContact O-CB 3.38Å; S203-L207 PolarHBondContact O-N 2.88Å; F204-L207 PolarHBondContact O-N 3.07Å; L207-R209 PolarHBondContact O-N 3.26Å; L207-G211 WeakPolarHBondContact O-CA 3.47Å; L207-G211 PolarHBondContact O-N 3.16Å; L207-L219 HydrophobicContact CD1-CD1 3.89Å; L207-L219 HydrophobicContact CD2-CD1 4.37Å; L207-L221 HydrophobicContact CD2-CD1 3.78Å; L207-L221 HydrophobicContact CG-CD1 4.24Å; L207-Y268 HydrophobicContact CB-CD1 4.32Å; L207-Y268 HydrophobicContact CB-CE1 4.44Å; L207-Y268 HydrophobicContact CD1-CD1 3.62Å; L207-Y268 HydrophobicContact CD1-CE1 4.19Å; L207-Y268 HydrophobicContact CD1-CG 4.2Å; L207-Y268 HydrophobicContact CD2-CD1 4.12Å; L207-Y268 HydrophobicContact CG-CD1 4.22Å; L207-L271 HydrophobicContact CD2-CB 3.98Å |
| 208 | L | 92.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.7 | -42.8 | -173.5 | -66.1 | 171.6 | 0 | 0 | 0 | 113.2 | F204 Y205 L221 Q222 N223 A225 Y228 L275 | F204-L208 VanDerWaalsContact O-CG 3.29Å; F204-L208 WeakPolarHBondContact O-CG 3.12Å; F204-L208 PolarHBondContact O-N 3.45Å; Y205-L208 PolarHBondContact O-N 3.32Å; L208-L221 HydrophobicContact CD2-CB 4.28Å; L208-L221 HydrophobicContact CD2-CD1 4.07Å; L208-Q222 VanDerWaalsContact CD2-O 3.25Å; L208-Q222 WeakPolarHBondContact CD2-O 3.5Å; L208-N223 WeakPolarHBondContact O-CA 3.37Å; L208-A225 HydrophobicContact CD1-CB 3.91Å; L208-Y228 HydrophobicContact CD1-CD2 4.04Å; L208-Y228 HydrophobicContact CD1-CE2 4.04Å; L208-Y228 HydrophobicContact CD2-CD2 4.32Å; L208-Y228 HydrophobicContact CD2-CE2 3.55Å; L208-Y228 HydrophobicContact CG-CE2 4.47Å; L208-L275 HydrophobicContact CD1-CD1 4.06Å; L208-L275 HydrophobicContact CD2-CD1 3.96Å; L208-L275 HydrophobicContact CG-CD1 4.14Å |
| 209 | R | 90.2 | Very high | 91.4 | Very high | 81 Ų | 81 | 37.6 Ų | 37.6 | 31% | 0.306 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -94.9 | -22.7 | -176.1 | -64.6 | 178 | 172.2 | 168.9 | -1.3 | 114 | Y205 L207 A235 D243 R244 | Y205-R209 WeakPolarHBondContact O-CB 3.2Å; Y205-R209 PolarHBondContact O-N 3.26Å; L207-R209 PolarHBondContact O-N 3.26Å; R209-A235 PolarHBondContact NH2-O 3.12Å; R209-D243 HydrophobicContact CB-CB 4.14Å; R209-D243 WeakPolarHBondContact CD-OD2 3.41Å; R209-D243 IonicContact CZ-OD2 3.52Å; R209-D243 IonicContact NH1-OD2 2.68Å; R209-D243 PolarHBondContact NH1-OD2 3.49Å; R209-R244 PolarHBondContact O-NH2 2.9Å; R209-R244 VanDerWaalsContact O-NH2 3.13Å |
| 210 | G | 86.5 | Confident | 91.6 | Very high | 11 Ų | 11 | 40.5 Ų | 40.5 | 11% | 0.113 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -100.6 | -25.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q206 H247 | Q206-G210 WeakPolarHBondContact O-CA 3.42Å; Q206-G210 PolarHBondContact O-N 2.86Å; G210-H247 VanDerWaalsContact C-CD2 3.43Å; G210-H247 PolarHBondContact O-CD2 3.44Å |
| 211 | G | 87.4 | Confident | 91.6 | Very high | 7 Ų | 7 | 41 Ų | 41 | 7% | 0.072 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -62.6 | 148.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L207 | L207-G211 WeakPolarHBondContact O-CA 3.47Å; L207-G211 PolarHBondContact O-N 3.16Å |
| 212 | C | 88.5 | Confident | 91.5 | Very high | 65 Ų | 65 | 47 Ų | 47 | 44% | 0.439 | 24% | 0.238 | S | C | . | . | trans | -74.8 | 156.6 | 170.2 | 66.3 | 0 | 0 | 0 | 0 | 110.4 | E214 T215 L216 | C212-E214 PolarHBondContact O-N 2.86Å; C212-T215 PolarHBondContact O-N 3.04Å; C212-T215 VanDerWaalsContact O-N 3.12Å; C212-T215 PolarHBondContact SG-N 3.49Å; C212-T215 PolarHBondContact SG-OG1 3.01Å; C212-L216 PolarHBondContact O-N 3.23Å | ||
| 213 | E | 88.5 | Confident | 91.3 | Very high | 138 Ų | 138 | 51.5 Ų | 51.5 | 65% | 0.645 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -58.6 | -33.4 | -178.7 | -71.5 | -171.8 | -179.7 | 0 | 0 | 112.8 | K217 | E213-K217 WeakPolarHBondContact O-CB 3.21Å; E213-K217 VanDerWaalsContact O-CG 3.23Å; E213-K217 WeakPolarHBondContact O-CG 3.19Å; E213-K217 PolarHBondContact O-N 3.19Å |
| 214 | E | 89 | Confident | 91 | Very high | 162 Ų | 162 | 54.9 Ų | 54.9 | 76% | 0.757 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -63.9 | -46.8 | 176.1 | -65.7 | 176.1 | 177.1 | 0 | 0 | 111.6 | C212 K217 S218 | C212-E214 PolarHBondContact O-N 2.86Å; E214-K217 PolarHBondContact O-N 2.87Å; E214-S218 PolarHBondContact O-N 2.86Å |
| 215 | T | 88.8 | Confident | 90.7 | Very high | 55 Ų | 55 | 54.9 Ų | 54.9 | 34% | 0.337 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.5 | -45 | 176.8 | -58.7 | 0 | 0 | 0 | 0 | 111.2 | C212 K217 S218 L219 | C212-T215 PolarHBondContact O-N 3.04Å; C212-T215 VanDerWaalsContact O-N 3.12Å; C212-T215 PolarHBondContact SG-N 3.49Å; C212-T215 PolarHBondContact SG-OG1 3.01Å; T215-K217 PolarHBondContact O-N 2.94Å; T215-S218 PolarHBondContact O-N 3.41Å; T215-S218 PolarHBondContact O-OG 2.82Å; T215-L219 HydrophobicContact CG2-CD1 3.88Å; T215-L219 HydrophobicContact CG2-CG 4.47Å; T215-L219 VanDerWaalsContact O-CG 3.29Å; T215-L219 WeakPolarHBondContact O-CG 3.43Å; T215-L219 PolarHBondContact O-N 2.92Å; T215-L219 VanDerWaalsContact O-N 3.1Å |
| 216 | L | 92.1 | Very high | 90.5 | Very high | 12 Ų | 12 | 57 Ų | 57 | 6% | 0.063 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 178.6 | -70.5 | 174.9 | 0 | 0 | 0 | 111.8 | C212 S218 L219 H220 L221 N223 | C212-L216 PolarHBondContact O-N 3.23Å; L216-S218 PolarHBondContact O-N 2.94Å; L216-L219 CarbonylContact O-C 3.6Å; L216-L219 PolarHBondContact O-N 3.12Å; L216-L219 VanDerWaalsContact O-N 3.11Å; L216-H220 PolarHBondContact O-N 3.16Å; L216-L221 CarbonylContact C-O 3.5Å; L216-L221 HydrophobicContact CD2-CB 4.02Å; L216-L221 HydrophobicContact CD2-CD1 4.46Å; L216-L221 PolarHBondContact O-N 2.95Å; L216-N223 HydrophobicContact CD1-CB 4.18Å |
| 217 | K | 92.3 | Very high | 90.4 | Very high | 146 Ų | 146 | 60.1 Ų | 60.1 | 64% | 0.635 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -60.7 | -43.3 | 174 | -75.3 | 172.5 | -173.9 | 171.3 | 0 | 112.2 | E213 E214 T215 L219 H220 | E213-K217 WeakPolarHBondContact O-CB 3.21Å; E213-K217 VanDerWaalsContact O-CG 3.23Å; E213-K217 WeakPolarHBondContact O-CG 3.19Å; E213-K217 PolarHBondContact O-N 3.19Å; E214-K217 PolarHBondContact O-N 2.87Å; T215-K217 PolarHBondContact O-N 2.94Å; K217-L219 PolarHBondContact O-N 3.46Å; K217-H220 PolarHBondContact O-N 3.42Å; K217-H220 VanDerWaalsContact O-N 3.15Å |
| 218 | S | 92.8 | Very high | 90.4 | Very high | 73 Ų | 73 | 60.5 Ų | 60.5 | 51% | 0.51 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.6 | -17.7 | 176.9 | 75.1 | 0 | 0 | 0 | 0 | 114.1 | E214 T215 L216 | E214-S218 PolarHBondContact O-N 2.86Å; T215-S218 PolarHBondContact O-N 3.41Å; T215-S218 PolarHBondContact O-OG 2.82Å; L216-S218 PolarHBondContact O-N 2.94Å |
| 219 | L | 93.3 | Very high | 90.3 | Very high | 4 Ų | 4 | 63.3 Ų | 63.3 | 2% | 0.021 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 3.3 | 178.8 | -66.5 | 175.7 | 0 | 0 | 0 | 112.8 | L207 T215 L216 K217 L221 R269 A272 L303 | L207-L219 HydrophobicContact CD1-CD1 3.89Å; L207-L219 HydrophobicContact CD2-CD1 4.37Å; T215-L219 HydrophobicContact CG2-CD1 3.88Å; T215-L219 HydrophobicContact CG2-CG 4.47Å; T215-L219 VanDerWaalsContact O-CG 3.29Å; T215-L219 WeakPolarHBondContact O-CG 3.43Å; T215-L219 PolarHBondContact O-N 2.92Å; T215-L219 VanDerWaalsContact O-N 3.1Å; L216-L219 CarbonylContact O-C 3.6Å; L216-L219 PolarHBondContact O-N 3.12Å; L216-L219 VanDerWaalsContact O-N 3.11Å; K217-L219 PolarHBondContact O-N 3.46Å; L219-L221 HydrophobicContact CB-CD1 4.08Å; L219-L221 HydrophobicContact CB-CG 4Å; L219-L221 HydrophobicContact CD1-CD1 4.45Å; L219-L221 PolarHBondContact O-N 3.36Å; L219-R269 HydrophobicContact CD2-CB 4.33Å; L219-R269 HydrophobicContact CD2-CG 3.67Å; L219-A272 HydrophobicContact CB-CB 3.89Å; L219-A272 HydrophobicContact CD1-CB 4.44Å; L219-A272 HydrophobicContact CD2-CB 4.11Å; L219-A272 HydrophobicContact CG-CB 4.37Å; L219-L303 HydrophobicContact CD2-CD2 3.89Å |
| 220 | H | 93.6 | Very high | 90.4 | Very high | 64 Ų | 64 | 59.6 Ų | 59.6 | 30% | 0.296 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 33.3 | -172.7 | -55.3 | -62.6 | 0 | 0 | 0 | 113.3 | L216 K217 L276 H299 E302 | L216-H220 PolarHBondContact O-N 3.16Å; K217-H220 PolarHBondContact O-N 3.42Å; K217-H220 VanDerWaalsContact O-N 3.15Å; H220-L276 HydrophobicContact CB-CD1 4.24Å; H220-H299 HydrophobicContact CB-CB 4.32Å; H220-H299 AromaticContact CD2-CD2 3.64Å; H220-H299 AromaticContact CD2-CG 3.79Å; H220-H299 AromaticContact CE1-CD2 3.72Å; H220-H299 AromaticContact CG-CD2 3.74Å; H220-H299 AromaticContact CG-CG 3.83Å; H220-H299 AromaticContact ND1-CD2 3.83Å; H220-H299 AromaticContact ND1-NE2 3.97Å; H220-H299 AromaticContact NE2-CD2 3.62Å; H220-E302 IonicContact CD2-OE2 3.62Å; H220-E302 IonicContact CE1-OE2 2.87Å; H220-E302 IonicContact NE2-OE2 2.62Å; H220-E302 PolarHBondContact NE2-OE2 2.64Å |
| 221 | L | 93.5 | Very high | 90.6 | Very high | 9 Ų | 9 | 59 Ų | 59 | 5% | 0.047 | 31% | 0.314 | C | S | . | . | trans | -112.3 | 150.3 | -179.4 | -61.5 | 179.4 | 0 | 0 | 0 | 112.2 | L207 L208 L216 L219 Y228 A272 L275 L276 | L207-L221 HydrophobicContact CD2-CD1 3.78Å; L207-L221 HydrophobicContact CG-CD1 4.24Å; L208-L221 HydrophobicContact CD2-CB 4.28Å; L208-L221 HydrophobicContact CD2-CD1 4.07Å; L216-L221 CarbonylContact C-O 3.5Å; L216-L221 HydrophobicContact CD2-CB 4.02Å; L216-L221 HydrophobicContact CD2-CD1 4.46Å; L216-L221 PolarHBondContact O-N 2.95Å; L219-L221 HydrophobicContact CB-CD1 4.08Å; L219-L221 HydrophobicContact CB-CG 4Å; L219-L221 HydrophobicContact CD1-CD1 4.45Å; L219-L221 PolarHBondContact O-N 3.36Å; L221-Y228 WeakPolarHBondContact CA-OH 2.94Å; L221-Y228 WeakPolarHBondContact CB-OH 3.38Å; L221-Y228 HydrophobicContact CD2-CE1 3.54Å; L221-Y228 VanDerWaalsContact CD2-OH 3.27Å; L221-Y228 WeakPolarHBondContact CD2-OH 3.4Å; L221-A272 HydrophobicContact CD1-CB 3.67Å; L221-A272 HydrophobicContact CD2-CB 4.25Å; L221-A272 HydrophobicContact CG-CB 4.01Å; L221-L275 HydrophobicContact CD1-CD1 4.26Å; L221-L275 HydrophobicContact CD2-CB 4.35Å; L221-L275 HydrophobicContact CD2-CD1 4.28Å; L221-L276 HydrophobicContact CD2-CD2 4.3Å; L221-L276 HydrophobicContact CD2-CG 4.25Å | ||
| 222 | Q | 91.4 | Very high | 90.6 | Very high | 126 Ų | 126 | 65.9 Ų | 65.9 | 59% | 0.589 | 34% | 0.337 | S | S | * | . | trans | -104.7 | 163 | 165.7 | -60.2 | -175 | 36.3 | 0 | 0 | 111.4 | L208 D224 L227 Y228 | L208-Q222 VanDerWaalsContact CD2-O 3.25Å; L208-Q222 WeakPolarHBondContact CD2-O 3.5Å; Q222-D224 VanDerWaalsContact C-N 3.32Å; Q222-D224 PolarHBondContact O-N 3.19Å; Q222-L227 HydrophobicContact CB-CD1 3.76Å; Q222-L227 HydrophobicContact CG-CD1 4.25Å; Q222-L227 VanDerWaalsContact OE1-CD1 3.31Å; Q222-Y228 PolarHBondContact N-OH 3.07Å; Q222-Y228 PolarHBondContact O-OH 3.17Å | ||
| 223 | N | 88.3 | Confident | 90.3 | Very high | 109 Ų | 109 | 67.5 Ų | 67.5 | 58% | 0.583 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -75.6 | -15.5 | -176.3 | 63 | -1.3 | 0 | 0 | 0 | 114.6 | L208 L216 | L208-N223 WeakPolarHBondContact O-CA 3.37Å; L216-N223 HydrophobicContact CD1-CB 4.18Å |
| 224 | D | 88.8 | Confident | 89.7 | Confident | 74 Ų | 74 | 60.9 Ų | 60.9 | 40% | 0.396 | 31% | 0.308 | S | S | . | . | trans | -85.7 | 120.1 | -179.5 | -172.2 | 5.4 | 0 | 0 | 0 | 111.5 | Q222 A226 L227 Y228 | Q222-D224 VanDerWaalsContact C-N 3.32Å; Q222-D224 PolarHBondContact O-N 3.19Å; D224-A226 VanDerWaalsContact C-N 3.28Å; D224-A226 PolarHBondContact O-N 2.91Å; D224-A226 WeakPolarHBondContact OD1-CB 3.19Å; D224-A226 PolarHBondContact OD1-N 3.16Å; D224-L227 HydrophobicContact CB-CD1 3.95Å; D224-L227 HydrophobicContact CB-CG 4.09Å; D224-Y228 WeakPolarHBondContact O-CE2 3.39Å | ||
| 225 | A | 88.6 | Confident | 89.2 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -73.8 | -17.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y205 L208 L227 T231 A235 | Y205-A225 HydrophobicContact CD1-CB 4.13Å; Y205-A225 HydrophobicContact CE1-CB 4.11Å; L208-A225 HydrophobicContact CD1-CB 3.91Å; A225-L227 PolarHBondContact O-N 3.34Å; A225-T231 PolarHBondContact O-OG1 3.28Å; A225-A235 HydrophobicContact CB-CB 3.97Å |
| 226 | A | 88.9 | Confident | 88.2 | Confident | 44 Ų | 44 | 56 Ų | 56 | 36% | 0.364 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -69.1 | -18.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D224 Y228 A235 | D224-A226 VanDerWaalsContact C-N 3.28Å; D224-A226 PolarHBondContact O-N 2.91Å; D224-A226 WeakPolarHBondContact OD1-CB 3.19Å; D224-A226 PolarHBondContact OD1-N 3.16Å; A226-Y228 VanDerWaalsContact C-N 3.31Å; A226-Y228 PolarHBondContact O-N 3.37Å; A226-A235 HydrophobicContact CB-CB 4.05Å |
| 227 | L | 90.3 | Very high | 87 | Confident | 81 Ų | 81 | 56.2 Ų | 56.2 | 42% | 0.424 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -76.2 | -12.5 | -177.7 | -64.6 | 173.7 | 0 | 0 | 0 | 114.3 | Q222 D224 A225 N279 | Q222-L227 HydrophobicContact CB-CD1 3.76Å; Q222-L227 HydrophobicContact CG-CD1 4.25Å; Q222-L227 VanDerWaalsContact OE1-CD1 3.31Å; D224-L227 HydrophobicContact CB-CD1 3.95Å; D224-L227 HydrophobicContact CB-CG 4.09Å; A225-L227 PolarHBondContact O-N 3.34Å; L227-N279 PolarHBondContact O-ND2 2.89Å |
| 228 | Y | 92.4 | Very high | 85.7 | Confident | 9 Ų | 9 | 53 Ų | 53 | 4% | 0.035 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -114.6 | 129.7 | -177.3 | -48.7 | -86.9 | 0 | 0 | 0 | 111.2 | L208 L221 Q222 D224 A226 Y230 T231 R232 L275 L276 N279 | L208-Y228 HydrophobicContact CD1-CD2 4.04Å; L208-Y228 HydrophobicContact CD1-CE2 4.04Å; L208-Y228 HydrophobicContact CD2-CD2 4.32Å; L208-Y228 HydrophobicContact CD2-CE2 3.55Å; L208-Y228 HydrophobicContact CG-CE2 4.47Å; L221-Y228 WeakPolarHBondContact CA-OH 2.94Å; L221-Y228 WeakPolarHBondContact CB-OH 3.38Å; L221-Y228 HydrophobicContact CD2-CE1 3.54Å; L221-Y228 VanDerWaalsContact CD2-OH 3.27Å; L221-Y228 WeakPolarHBondContact CD2-OH 3.4Å; Q222-Y228 PolarHBondContact N-OH 3.07Å; Q222-Y228 PolarHBondContact O-OH 3.17Å; D224-Y228 WeakPolarHBondContact O-CE2 3.39Å; A226-Y228 VanDerWaalsContact C-N 3.31Å; A226-Y228 PolarHBondContact O-N 3.37Å; Y228-Y230 PolarHBondContact O-N 2.97Å; Y228-Y230 VanDerWaalsContact O-N 3.14Å; Y228-T231 PolarHBondContact O-N 3.36Å; Y228-R232 WeakPolarHBondContact O-CB 3.36Å; Y228-R232 PolarHBondContact O-N 3.24Å; Y228-L275 HydrophobicContact CD1-CB 3.83Å; Y228-L275 HydrophobicContact CE1-CB 4.29Å; Y228-L275 HydrophobicContact CG-CB 4.17Å; Y228-L275 HydrophobicContact CG-CD2 4.36Å; Y228-L276 HydrophobicContact CE1-CD2 4.18Å; Y228-N279 WeakPolarHBondContact CA-OD1 3.42Å |
| 229 | T | 91.4 | Very high | 84.5 | Confident | 60 Ų | 60 | 51.1 Ų | 51.1 | 37% | 0.368 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -51.4 | -42.7 | -177.1 | -55.4 | 0 | 0 | 0 | 0 | 112.3 | T231 G278 N279 | T229-T231 VanDerWaalsContact C-N 3.34Å; T229-T231 PolarHBondContact O-N 3.15Å; T229-G278 WeakPolarHBondContact CB-O 3.26Å; T229-G278 PolarHBondContact OG1-O 3.44Å; T229-N279 PolarHBondContact N-OD1 3.48Å; T229-N279 PolarHBondContact OG1-OD1 2.89Å |
| 230 | Y | 92.9 | Very high | 83.2 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.008 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -77.5 | -8.3 | -176.5 | -66.1 | -22.7 | 0 | 0 | 0 | 115.6 | V191 V192 Q194 N200 Y228 I274 G278 D342 A345 | V191-Y230 WeakPolarHBondContact O-CB 3.42Å; V192-Y230 HydrophobicContact CB-CD1 4.07Å; V192-Y230 HydrophobicContact CB-CE1 3.7Å; V192-Y230 HydrophobicContact CG1-CD1 4.34Å; V192-Y230 HydrophobicContact CG1-CE1 3.74Å; V192-Y230 HydrophobicContact CG1-CE2 4.39Å; Q194-Y230 PolarHBondContact NE2-O 2.97Å; Q194-Y230 PolarHBondContact OE1-O 3.49Å; N200-Y230 PolarHBondContact ND2-O 2.96Å; Y228-Y230 PolarHBondContact O-N 2.97Å; Y228-Y230 VanDerWaalsContact O-N 3.14Å; Y230-I274 HydrophobicContact CD2-CG2 4.27Å; Y230-I274 WeakPolarHBondContact CD2-O 3.42Å; Y230-I274 WeakPolarHBondContact CE2-O 3.5Å; Y230-G278 VanDerWaalsContact CZ-CA 3.41Å; Y230-D342 PolarHBondContact OH-OD1 2.78Å; Y230-A345 HydrophobicContact CE2-CB 3.64Å |
| 231 | T | 90.6 | Very high | 82.1 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -124.5 | -9.5 | 177.1 | 52.5 | 0 | 0 | 0 | 0 | 113.6 | N200 F204 Y205 A225 Y228 T229 E233 G234 A235 L275 | N200-T231 HydrophobicContact CB-CG2 4.37Å; F204-T231 HydrophobicContact CB-CG2 3.89Å; F204-T231 HydrophobicContact CG-CG2 4.28Å; Y205-T231 HydrophobicContact CE1-CG2 4.49Å; Y205-T231 PolarHBondContact OH-O 3.06Å; A225-T231 PolarHBondContact O-OG1 3.28Å; Y228-T231 PolarHBondContact O-N 3.36Å; T229-T231 VanDerWaalsContact C-N 3.34Å; T229-T231 PolarHBondContact O-N 3.15Å; T231-E233 PolarHBondContact O-N 3.42Å; T231-G234 CarbonylContact O-C 3.56Å; T231-G234 PolarHBondContact O-N 3.09Å; T231-G234 VanDerWaalsContact O-N 3.16Å; T231-A235 PolarHBondContact O-N 3.48Å; T231-L275 HydrophobicContact CG2-CD2 3.63Å |
| 232 | R | 86.9 | Confident | 81.6 | Confident | 151 Ų | 151 | 61 Ų | 61 | 57% | 0.57 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -53.3 | -47.2 | -177.9 | -176.6 | 178.9 | 66.5 | 160.8 | 1 | 113.5 | Y228 G234 A235 | Y228-R232 WeakPolarHBondContact O-CB 3.36Å; Y228-R232 PolarHBondContact O-N 3.24Å; R232-G234 VanDerWaalsContact C-N 3.26Å; R232-G234 PolarHBondContact O-N 3.1Å; R232-A235 WeakPolarHBondContact O-CB 3.47Å; R232-A235 PolarHBondContact O-N 2.65Å |
| 233 | E | 81.1 | Confident | 81.5 | Confident | 98 Ų | 98 | 55.5 Ų | 55.5 | 46% | 0.458 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -36 | -178.2 | -64.7 | -179.6 | 165.9 | 0 | 0 | 112 | Q194 T231 | Q194-E233 PolarHBondContact N-OE2 2.97Å; Q194-E233 VanDerWaalsContact N-OE2 3.13Å; T231-E233 PolarHBondContact O-N 3.42Å |
| 234 | G | 77.7 | Confident | 81.5 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -2.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | E198 T231 R232 A236 A237 | E198-G234 VanDerWaalsContact O-CA 3.26Å; E198-G234 WeakPolarHBondContact O-CA 3.18Å; T231-G234 CarbonylContact O-C 3.56Å; T231-G234 PolarHBondContact O-N 3.09Å; T231-G234 VanDerWaalsContact O-N 3.16Å; R232-G234 VanDerWaalsContact C-N 3.26Å; R232-G234 PolarHBondContact O-N 3.1Å; G234-A236 VanDerWaalsContact C-N 3.32Å; G234-A236 PolarHBondContact O-N 3.46Å; G234-A237 WeakPolarHBondContact O-CB 3.13Å; G234-A237 PolarHBondContact O-N 3.21Å |
| 235 | A | 76.6 | Confident | 81.6 | Confident | 13 Ų | 13 | 56.3 Ų | 56.3 | 11% | 0.107 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -38.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | R209 A225 A226 T231 R232 | R209-A235 PolarHBondContact NH2-O 3.12Å; A225-A235 HydrophobicContact CB-CB 3.97Å; A226-A235 HydrophobicContact CB-CB 4.05Å; T231-A235 PolarHBondContact O-N 3.48Å; R232-A235 WeakPolarHBondContact O-CB 3.47Å; R232-A235 PolarHBondContact O-N 2.65Å |
| 236 | A | 69.4 | Low | 81.7 | Confident | 100 Ų | 100 | 57.6 Ų | 57.6 | 83% | 0.826 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -15.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | G234 A238 | G234-A236 VanDerWaalsContact C-N 3.32Å; G234-A236 PolarHBondContact O-N 3.46Å; A236-A238 PolarHBondContact O-N 2.99Å |
| 237 | A | 66.9 | Low | 81.8 | Confident | 17 Ų | 17 | 56.4 Ų | 56.4 | 14% | 0.14 | 32% | 0.322 | C | S | . | . | trans | -69.7 | 116 | -175.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | R199 G234 | R199-A237 HydrophobicContact CG-CB 3.96Å; R199-A237 PolarHBondContact NE-O 3.21Å; R199-A237 PolarHBondContact NH2-O 3.17Å; G234-A237 WeakPolarHBondContact O-CB 3.13Å; G234-A237 PolarHBondContact O-N 3.21Å | ||
| 238 | A | 64.2 | Low | 81.9 | Confident | 78 Ų | 78 | 59.6 Ų | 59.6 | 65% | 0.645 | 33% | 0.332 | S | S | * | . | trans | -70 | 145.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | K152 A236 | K152-A238 PolarHBondContact NZ-O 3.48Å; A236-A238 PolarHBondContact O-N 2.99Å | ||
| 239 | T | 68.3 | Low | 81.9 | Confident | 35 Ų | 35 | 61.4 Ų | 61.4 | 22% | 0.215 | 35% | 0.349 | C | S | . | . | trans | -119.5 | 150 | 174.3 | 41.4 | 0 | 0 | 0 | 0 | 110.6 | K152 R199 N241 | K152-T239 HydrophobicContact CB-CG2 4.28Å; K152-T239 HydrophobicContact CD-CG2 3.75Å; R199-T239 VanDerWaalsContact NH1-CG2 3.35Å; R199-T239 PolarHBondContact NH1-OG1 3.4Å; R199-T239 PolarHBondContact NH2-OG1 2.98Å; T239-N241 VanDerWaalsContact C-N 3.29Å; T239-N241 PolarHBondContact OG1-O 3.1Å; T239-N241 VanDerWaalsContact OG1-O 3.14Å | ||
| 240 | S | 66.3 | Low | 82 | Confident | 88 Ų | 88 | 58.7 Ų | 58.7 | 62% | 0.615 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -66.5 | -30.1 | 173.8 | 43.6 | 0 | 0 | 0 | 0 | 113 | D157 | D157-S240 PolarHBondContact OD2-OG 2.95Š|
| 241 | N | 69.9 | Low | 81.9 | Confident | 92 Ų | 92 | 61.1 Ų | 61.1 | 49% | 0.492 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -91.5 | 142.4 | 177.2 | -74.2 | -18 | 0 | 0 | 0 | 112.4 | T239 D243 | T239-N241 VanDerWaalsContact C-N 3.29Å; T239-N241 PolarHBondContact OG1-O 3.1Å; T239-N241 VanDerWaalsContact OG1-O 3.14Å; N241-D243 PolarHBondContact O-N 3.11Å |
| 242 | N | 83.7 | Confident | 82 | Confident | 103 Ų | 103 | 63.7 Ų | 63.7 | 55% | 0.551 | 36% | 0.362 | S | S | * | . | trans | -82.8 | 110.8 | 174.5 | 177.6 | -9.4 | 0 | 0 | 0 | 110.4 | R244 S245 S246 | N242-R244 PolarHBondContact O-N 3.47Å; N242-R244 VanDerWaalsContact O-N 3.11Å; N242-R244 WeakPolarHBondContact OD1-CB 3.26Å; N242-R244 PolarHBondContact OD1-N 3.06Å; N242-S245 WeakPolarHBondContact CB-OG 3.44Å; N242-S245 PolarHBondContact O-N 3.5Å; N242-S245 VanDerWaalsContact O-N 3.11Å; N242-S245 PolarHBondContact O-OG 3Å; N242-S246 PolarHBondContact O-N 2.7Å; N242-S246 PolarHBondContact O-OG 2.82Å | ||
| 243 | D | 87.8 | Confident | 82.3 | Confident | 11 Ų | 11 | 56.5 Ų | 56.5 | 6% | 0.059 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -52.8 | -34.3 | -178.1 | -64.8 | -41.4 | 0 | 0 | 0 | 112.4 | R199 R209 N241 S246 H247 | R199-D243 IonicContact NH1-OD1 2.96Å; R199-D243 IonicContact NH1-OD2 3.17Å; R199-D243 PolarHBondContact NH1-OD2 3.11Å; R209-D243 HydrophobicContact CB-CB 4.14Å; R209-D243 WeakPolarHBondContact CD-OD2 3.41Å; R209-D243 IonicContact CZ-OD2 3.52Å; R209-D243 IonicContact NH1-OD2 2.68Å; R209-D243 PolarHBondContact NH1-OD2 3.49Å; N241-D243 PolarHBondContact O-N 3.11Å; D243-S246 PolarHBondContact O-N 3.3Å; D243-H247 WeakPolarHBondContact O-CB 3.33Å; D243-H247 PolarHBondContact O-N 3.02Å |
| 244 | R | 88.8 | Confident | 82.8 | Confident | 136 Ų | 136 | 51.9 Ų | 51.9 | 51% | 0.513 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -70.4 | -42.2 | 179.8 | -177.5 | 178.2 | -68.2 | -103.7 | -6.8 | 113 | R209 N242 K248 | R209-R244 PolarHBondContact O-NH2 2.9Å; R209-R244 VanDerWaalsContact O-NH2 3.13Å; N242-R244 PolarHBondContact O-N 3.47Å; N242-R244 VanDerWaalsContact O-N 3.11Å; N242-R244 WeakPolarHBondContact OD1-CB 3.26Å; N242-R244 PolarHBondContact OD1-N 3.06Å; R244-K248 PolarHBondContact O-N 3.3Å |
| 245 | S | 90.4 | Very high | 83.4 | Confident | 65 Ų | 65 | 57.3 Ų | 57.3 | 46% | 0.455 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -69.6 | -38.4 | 175.4 | 47.2 | 0 | 0 | 0 | 0 | 111.4 | N242 K248 A249 | N242-S245 WeakPolarHBondContact CB-OG 3.44Å; N242-S245 PolarHBondContact O-N 3.5Å; N242-S245 VanDerWaalsContact O-N 3.11Å; N242-S245 PolarHBondContact O-OG 3Å; S245-K248 PolarHBondContact O-N 2.92Å; S245-A249 PolarHBondContact O-N 3.41Å |
| 246 | S | 90.4 | Very high | 84 | Confident | 27 Ų | 27 | 60 Ų | 60 | 19% | 0.189 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 176.4 | -62.8 | 0 | 0 | 0 | 0 | 111.5 | N242 D243 K248 A249 V250 | N242-S246 PolarHBondContact O-N 2.7Å; N242-S246 PolarHBondContact O-OG 2.82Å; D243-S246 PolarHBondContact O-N 3.3Å; S246-K248 PolarHBondContact O-N 2.93Å; S246-A249 WeakPolarHBondContact O-CB 3.42Å; S246-A249 PolarHBondContact O-N 3.27Å; S246-A249 VanDerWaalsContact O-N 3.11Å; S246-V250 WeakPolarHBondContact O-CG2 3.44Å; S246-V250 PolarHBondContact O-N 3.36Å |
| 247 | H | 92.3 | Very high | 84.9 | Confident | 19 Ų | 19 | 55.5 Ų | 55.5 | 9% | 0.088 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.1 | -45.9 | 175 | -175 | 63.8 | 0 | 0 | 0 | 112.3 | Q206 G210 D243 A249 V250 M251 Y268 | Q206-H247 HydrophobicContact CB-CB 4.01Å; Q206-H247 WeakPolarHBondContact O-CB 3.36Å; Q206-H247 PolarHBondContact O-ND1 3.37Å; G210-H247 VanDerWaalsContact C-CD2 3.43Å; G210-H247 PolarHBondContact O-CD2 3.44Å; D243-H247 WeakPolarHBondContact O-CB 3.33Å; D243-H247 PolarHBondContact O-N 3.02Å; H247-A249 VanDerWaalsContact C-N 3.3Å; H247-A249 PolarHBondContact O-N 3.16Å; H247-V250 PolarHBondContact O-N 2.92Å; H247-M251 WeakPolarHBondContact O-CG 3.5Å; H247-M251 PolarHBondContact O-N 3.38Å; H247-Y268 AromaticContact CE1-CE1 3.76Å; H247-Y268 AromaticContact CE1-CZ 3.58Å; H247-Y268 PolarHBondContact CE1-OH 3.44Å; H247-Y268 VanDerWaalsContact CE1-OH 3.24Å |
| 248 | K | 92 | Very high | 85.9 | Confident | 147 Ų | 147 | 56.6 Ų | 56.6 | 64% | 0.639 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -60.1 | -39.7 | 174.9 | -71.6 | -176.6 | 178.3 | -174.4 | 0 | 112.4 | R244 S245 S246 S252 | R244-K248 PolarHBondContact O-N 3.3Å; S245-K248 PolarHBondContact O-N 2.92Å; S246-K248 PolarHBondContact O-N 2.93Å; K248-S252 WeakPolarHBondContact O-CB 3.33Å; K248-S252 PolarHBondContact O-N 2.86Å |
| 249 | A | 91.8 | Very high | 87.3 | Confident | 47 Ų | 47 | 53.5 Ų | 53.5 | 39% | 0.388 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66 | -39.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S245 S246 H247 A253 | S245-A249 PolarHBondContact O-N 3.41Å; S246-A249 WeakPolarHBondContact O-CB 3.42Å; S246-A249 PolarHBondContact O-N 3.27Å; S246-A249 VanDerWaalsContact O-N 3.11Å; H247-A249 VanDerWaalsContact C-N 3.3Å; H247-A249 PolarHBondContact O-N 3.16Å; A249-A253 VanDerWaalsContact O-CB 3.31Å; A249-A253 WeakPolarHBondContact O-CB 3.45Å; A249-A253 PolarHBondContact O-N 3.44Å |
| 250 | V | 93.1 | Very high | 88.5 | Confident | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.018 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.3 | -44.1 | 176.1 | 172.8 | 0 | 0 | 0 | 0 | 111.4 | A147 S246 H247 S252 A253 L254 | A147-V250 HydrophobicContact CB-CG1 4.35Å; A147-V250 HydrophobicContact CB-CG2 3.59Å; S246-V250 WeakPolarHBondContact O-CG2 3.44Å; S246-V250 PolarHBondContact O-N 3.36Å; H247-V250 PolarHBondContact O-N 2.92Å; V250-S252 PolarHBondContact O-N 3.24Å; V250-A253 WeakPolarHBondContact O-CB 3.26Å; V250-A253 PolarHBondContact O-N 3.36Å; V250-A253 VanDerWaalsContact O-N 3.15Å; V250-L254 HydrophobicContact CG1-CD1 4.1Å; V250-L254 HydrophobicContact CG1-CG 4.47Å; V250-L254 WeakPolarHBondContact O-CG 3.4Å; V250-L254 PolarHBondContact O-N 3.02Å |
| 251 | M | 92.6 | Very high | 89.7 | Confident | 54 Ų | 54 | 57.1 Ų | 57.1 | 27% | 0.266 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58.3 | -49.2 | 174.9 | -70.9 | -62.1 | -71.5 | 0 | 0 | 111.6 | H247 A253 L254 E255 I264 Y268 | H247-M251 WeakPolarHBondContact O-CG 3.5Å; H247-M251 PolarHBondContact O-N 3.38Å; M251-A253 VanDerWaalsContact C-N 3.28Å; M251-A253 PolarHBondContact O-N 3.09Å; M251-L254 PolarHBondContact O-N 3.36Å; M251-E255 WeakPolarHBondContact O-CG 3.49Å; M251-E255 PolarHBondContact O-N 2.87Å; M251-E255 VanDerWaalsContact O-N 3.14Å; M251-I264 HydrophobicContact CE-CG2 3.82Å; M251-I264 HydrophobicContact SD-CG2 3.95Å; M251-Y268 HydrophobicContact CE-CE2 4.4Å; M251-Y268 HydrophobicContact SD-CE2 3.39Å; M251-Y268 WeakPolarHBondContact SD-CE2 3.21Å; M251-Y268 PolarHBondContact SD-OH 3.19Å |
| 252 | S | 92.4 | Very high | 90.8 | Very high | 54 Ų | 54 | 59 Ų | 59 | 38% | 0.378 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62 | -35.9 | 175.6 | 176.8 | 0 | 0 | 0 | 0 | 112.3 | K248 V250 V256 | K248-S252 WeakPolarHBondContact O-CB 3.33Å; K248-S252 PolarHBondContact O-N 2.86Å; V250-S252 PolarHBondContact O-N 3.24Å; S252-V256 VanDerWaalsContact O-CG2 3.26Å; S252-V256 WeakPolarHBondContact O-CG2 3.22Å; S252-V256 PolarHBondContact O-N 3.3Å; S252-V256 VanDerWaalsContact O-N 3.08Å |
| 253 | A | 92 | Very high | 91.3 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.5 | -43.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | K140 C143 V144 A249 V250 M251 E255 V256 I257 | K140-A253 HydrophobicContact CB-CB 4.17Å; K140-A253 HydrophobicContact CD-CB 4.39Å; C143-A253 HydrophobicContact CB-CB 4.1Å; V144-A253 HydrophobicContact CG2-CB 3.86Å; A249-A253 VanDerWaalsContact O-CB 3.31Å; A249-A253 WeakPolarHBondContact O-CB 3.45Å; A249-A253 PolarHBondContact O-N 3.44Å; V250-A253 WeakPolarHBondContact O-CB 3.26Å; V250-A253 PolarHBondContact O-N 3.36Å; V250-A253 VanDerWaalsContact O-N 3.15Å; M251-A253 VanDerWaalsContact C-N 3.28Å; M251-A253 PolarHBondContact O-N 3.09Å; A253-E255 VanDerWaalsContact C-N 3.32Å; A253-E255 PolarHBondContact O-N 3.38Å; A253-V256 PolarHBondContact O-N 3.45Å; A253-I257 WeakPolarHBondContact O-CB 3.46Å; A253-I257 WeakPolarHBondContact O-CD1 3.24Å; A253-I257 WeakPolarHBondContact O-CG1 3.48Å; A253-I257 PolarHBondContact O-N 2.98Å |
| 254 | L | 92.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.6 | -42.3 | 176.8 | -72.7 | 167 | 0 | 0 | 0 | 111.5 | V144 V250 M251 I257 G258 F259 I264 I267 | V144-L254 HydrophobicContact CG1-CD2 3.82Å; V144-L254 HydrophobicContact CG2-CD2 3.91Å; V144-L254 HydrophobicContact CG2-CG 4.03Å; V250-L254 HydrophobicContact CG1-CD1 4.1Å; V250-L254 HydrophobicContact CG1-CG 4.47Å; V250-L254 WeakPolarHBondContact O-CG 3.4Å; V250-L254 PolarHBondContact O-N 3.02Å; M251-L254 PolarHBondContact O-N 3.36Å; L254-I257 PolarHBondContact O-N 3.32Å; L254-G258 PolarHBondContact O-N 3.34Å; L254-F259 HydrophobicContact CB-CB 4.37Å; L254-F259 HydrophobicContact CB-CD2 4.43Å; L254-F259 HydrophobicContact CD2-CD1 4.32Å; L254-F259 HydrophobicContact CD2-CD2 3.71Å; L254-F259 HydrophobicContact CD2-CE1 4.45Å; L254-F259 HydrophobicContact CD2-CE2 3.85Å; L254-F259 HydrophobicContact CD2-CG 3.96Å; L254-F259 HydrophobicContact CD2-CZ 4.23Å; L254-F259 PolarHBondContact O-N 2.75Å; L254-I264 HydrophobicContact CB-CD1 3.9Å; L254-I264 HydrophobicContact CB-CG1 4.1Å; L254-I264 HydrophobicContact CD1-CG1 4.29Å; L254-I264 HydrophobicContact CD1-CG2 4.35Å; L254-I267 HydrophobicContact CD2-CD1 4.47Å |
| 255 | E | 90.6 | Very high | 91.7 | Very high | 114 Ų | 114 | 52.1 Ų | 52.1 | 53% | 0.533 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.5 | -46 | 175.7 | -70.3 | 175.2 | 173.5 | 0 | 0 | 112.4 | M251 A253 I257 G258 I264 | M251-E255 WeakPolarHBondContact O-CG 3.49Å; M251-E255 PolarHBondContact O-N 2.87Å; M251-E255 VanDerWaalsContact O-N 3.14Å; A253-E255 VanDerWaalsContact C-N 3.32Å; A253-E255 PolarHBondContact O-N 3.38Å; E255-I257 VanDerWaalsContact C-N 3.33Å; E255-I257 PolarHBondContact O-N 3.16Å; E255-G258 PolarHBondContact O-N 3.29Å; E255-I264 HydrophobicContact CG-CD1 4.33Å |
| 256 | V | 87.8 | Confident | 91.9 | Very high | 71 Ų | 71 | 49.5 Ų | 49.5 | 43% | 0.43 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67 | -34.2 | 179.4 | 170.8 | 0 | 0 | 0 | 0 | 112.1 | N136 K140 S252 A253 G258 | N136-V256 HydrophobicContact CB-CG1 4.36Å; K140-V256 HydrophobicContact CG-CG1 4.14Å; S252-V256 VanDerWaalsContact O-CG2 3.26Å; S252-V256 WeakPolarHBondContact O-CG2 3.22Å; S252-V256 PolarHBondContact O-N 3.3Å; S252-V256 VanDerWaalsContact O-N 3.08Å; A253-V256 PolarHBondContact O-N 3.45Å; V256-G258 VanDerWaalsContact C-N 3.27Å |
| 257 | I | 88.9 | Confident | 92.2 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.1 | -33.4 | 175.8 | -69.2 | 161.5 | 0 | 0 | 0 | 110.4 | V137 K140 V144 A253 L254 E255 F259 I360 I363 | V137-I257 HydrophobicContact CG1-CG1 4.29Å; V137-I257 HydrophobicContact CG1-CG2 4.08Å; K140-I257 HydrophobicContact CB-CD1 4.44Å; K140-I257 HydrophobicContact CB-CG1 4.23Å; V144-I257 HydrophobicContact CG2-CD1 3.7Å; A253-I257 WeakPolarHBondContact O-CB 3.46Å; A253-I257 WeakPolarHBondContact O-CD1 3.24Å; A253-I257 WeakPolarHBondContact O-CG1 3.48Å; A253-I257 PolarHBondContact O-N 2.98Å; L254-I257 PolarHBondContact O-N 3.32Å; E255-I257 VanDerWaalsContact C-N 3.33Å; E255-I257 PolarHBondContact O-N 3.16Å; I257-F259 HydrophobicContact CB-CD2 4.13Å; I257-F259 HydrophobicContact CB-CE2 4.29Å; I257-F259 HydrophobicContact CG2-CD2 3.84Å; I257-F259 HydrophobicContact CG2-CE2 3.65Å; I257-I360 HydrophobicContact CG2-CG1 4.2Å; I257-I363 HydrophobicContact CG2-CD1 3.92Å; I257-I363 WeakPolarHBondContact O-CD1 3.36Å; I257-I363 WeakPolarHBondContact O-CG2 3.48Å |
| 258 | G | 87.8 | Confident | 92.3 | Very high | 40 Ų | 40 | 48 Ų | 48 | 41% | 0.412 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 111.2 | 25.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L254 E255 V256 | L254-G258 PolarHBondContact O-N 3.34Å; E255-G258 PolarHBondContact O-N 3.29Å; V256-G258 VanDerWaalsContact C-N 3.27Å |
| 259 | F | 93.1 | Very high | 92.4 | Very high | 13 Ų | 13 | 45.6 Ų | 45.6 | 6% | 0.057 | 25% | 0.247 | C | C | . | . | trans | -71.5 | 139.6 | 168.6 | -75 | -102.4 | 0 | 0 | 0 | 110.7 | L254 I257 E263 I264 I267 W355 I356 R359 I360 | L254-F259 HydrophobicContact CB-CB 4.37Å; L254-F259 HydrophobicContact CB-CD2 4.43Å; L254-F259 HydrophobicContact CD2-CD1 4.32Å; L254-F259 HydrophobicContact CD2-CD2 3.71Å; L254-F259 HydrophobicContact CD2-CE1 4.45Å; L254-F259 HydrophobicContact CD2-CE2 3.85Å; L254-F259 HydrophobicContact CD2-CG 3.96Å; L254-F259 HydrophobicContact CD2-CZ 4.23Å; L254-F259 PolarHBondContact O-N 2.75Å; I257-F259 HydrophobicContact CB-CD2 4.13Å; I257-F259 HydrophobicContact CB-CE2 4.29Å; I257-F259 HydrophobicContact CG2-CD2 3.84Å; I257-F259 HydrophobicContact CG2-CE2 3.65Å; F259-E263 VanDerWaalsContact CA-OE2 3.31Å; F259-E263 WeakPolarHBondContact CA-OE2 3.48Å; F259-E263 HydrophobicContact CD1-CB 4.27Å; F259-I264 HydrophobicContact CB-CD1 4.13Å; F259-I264 HydrophobicContact CB-CG1 3.81Å; F259-I267 HydrophobicContact CD1-CD1 4.15Å; F259-I267 HydrophobicContact CE1-CD1 4.15Å; F259-W355 HydrophobicContact CD1-CH2 4.32Å; F259-W355 HydrophobicContact CD1-CZ3 4.34Å; F259-W355 HydrophobicContact CE1-CH2 4.05Å; F259-W355 AromaticContact CE1-CZ3 3.78Å; F259-W355 HydrophobicContact CE1-CZ3 3.78Å; F259-I356 HydrophobicContact CZ-CG2 4.27Å; F259-R359 HydrophobicContact CD1-CG 4.11Å; F259-R359 HydrophobicContact CE1-CB 3.9Å; F259-R359 HydrophobicContact CE1-CG 3.54Å; F259-R359 HydrophobicContact CE2-CG 4.49Å; F259-R359 HydrophobicContact CZ-CB 3.89Å; F259-R359 HydrophobicContact CZ-CG 3.76Å; F259-I360 HydrophobicContact CE2-CG1 3.95Å; F259-I360 HydrophobicContact CZ-CG1 4.07Å | ||
| 260 | S | 93.6 | Very high | 92.6 | Very high | 42 Ų | 42 | 43.4 Ų | 43.4 | 29% | 0.294 | 23% | 0.229 | S | C | . | . | trans | -74.3 | 159.2 | 174.7 | 100.7 | 0 | 0 | 0 | 0 | 111.3 | E262 E263 I264 | S260-E262 VanDerWaalsContact CB-OE2 3.32Å; S260-E262 WeakPolarHBondContact CB-OE2 3.4Å; S260-E262 PolarHBondContact O-N 3.41Å; S260-E262 PolarHBondContact OG-N 3.06Å; S260-E262 PolarHBondContact OG-OE2 2.61Å; S260-E263 PolarHBondContact N-OE2 3.12Å; S260-E263 PolarHBondContact O-N 2.8Å; S260-E263 PolarHBondContact OG-N 2.9Å; S260-E263 VanDerWaalsContact OG-N 3.11Å; S260-I264 VanDerWaalsContact O-CG1 3.28Å; S260-I264 WeakPolarHBondContact O-CG1 3.24Å; S260-I264 PolarHBondContact O-N 3.44Å | ||
| 261 | K | 92.3 | Very high | 92.7 | Very high | 158 Ų | 158 | 43.3 Ų | 43.3 | 69% | 0.687 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -63.4 | -33.8 | 178.2 | -69.3 | -175.3 | 177.9 | -178.4 | 0 | 111.9 | T265 | K261-T265 WeakPolarHBondContact O-CB 3.46Å; K261-T265 PolarHBondContact O-N 3.14Å; K261-T265 PolarHBondContact O-OG1 2.85Å |
| 262 | E | 91.9 | Very high | 92.8 | Very high | 132 Ų | 132 | 40.7 Ų | 40.7 | 62% | 0.617 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -68.5 | -43.7 | 176.3 | -56.1 | 71.7 | -154 | 0 | 0 | 110.9 | S260 T265 S266 | S260-E262 VanDerWaalsContact CB-OE2 3.32Å; S260-E262 WeakPolarHBondContact CB-OE2 3.4Å; S260-E262 PolarHBondContact O-N 3.41Å; S260-E262 PolarHBondContact OG-N 3.06Å; S260-E262 PolarHBondContact OG-OE2 2.61Å; E262-T265 PolarHBondContact O-N 3.46Å; E262-S266 WeakPolarHBondContact O-CB 3.48Å; E262-S266 PolarHBondContact O-N 3.01Å; E262-S266 PolarHBondContact O-OG 3.28Å |
| 263 | E | 93.9 | Very high | 93 | Very high | 30 Ų | 30 | 38.2 Ų | 38.2 | 14% | 0.14 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.7 | -48.4 | 173.9 | -71.9 | 174.5 | 155.4 | 0 | 0 | 110.9 | F259 S260 T265 S266 I267 W355 R359 V543 | F259-E263 VanDerWaalsContact CA-OE2 3.31Å; F259-E263 WeakPolarHBondContact CA-OE2 3.48Å; F259-E263 HydrophobicContact CD1-CB 4.27Å; S260-E263 PolarHBondContact N-OE2 3.12Å; S260-E263 PolarHBondContact O-N 2.8Å; S260-E263 PolarHBondContact OG-N 2.9Å; S260-E263 VanDerWaalsContact OG-N 3.11Å; E263-T265 VanDerWaalsContact C-N 3.33Å; E263-T265 PolarHBondContact O-N 2.9Å; E263-S266 WeakPolarHBondContact O-CB 3.45Å; E263-S266 PolarHBondContact O-N 3.1Å; E263-I267 WeakPolarHBondContact O-CG1 3.42Å; E263-I267 PolarHBondContact O-N 3.13Å; E263-W355 HydrophobicContact CB-CH2 4.07Å; E263-W355 HydrophobicContact CG-CH2 4.05Å; E263-W355 HydrophobicContact CG-CZ2 4.46Å; E263-R359 IonicContact OE1-CZ 3.96Å; E263-R359 IonicContact OE1-NE 2.73Å; E263-R359 PolarHBondContact OE1-NE 2.78Å; E263-R359 IonicContact OE1-NH2 3.6Å; E263-R359 PolarHBondContact OE1-NH2 3.38Å; E263-R359 IonicContact OE2-NE 3.45Å; E263-R359 IonicContact OE2-NH2 2.88Å; E263-R359 PolarHBondContact OE2-NH2 3.45Å; E263-V543 HydrophobicContact CG-CG2 4.41Å |
| 264 | I | 93.8 | Very high | 93.1 | Very high | 9 Ų | 9 | 38.2 Ų | 38.2 | 5% | 0.046 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.4 | -44.2 | 178 | -65.2 | 169.2 | 0 | 0 | 0 | 110.8 | M251 L254 E255 F259 S260 S266 I267 Y268 | M251-I264 HydrophobicContact CE-CG2 3.82Å; M251-I264 HydrophobicContact SD-CG2 3.95Å; L254-I264 HydrophobicContact CB-CD1 3.9Å; L254-I264 HydrophobicContact CB-CG1 4.1Å; L254-I264 HydrophobicContact CD1-CG1 4.29Å; L254-I264 HydrophobicContact CD1-CG2 4.35Å; E255-I264 HydrophobicContact CG-CD1 4.33Å; F259-I264 HydrophobicContact CB-CD1 4.13Å; F259-I264 HydrophobicContact CB-CG1 3.81Å; S260-I264 VanDerWaalsContact O-CG1 3.28Å; S260-I264 WeakPolarHBondContact O-CG1 3.24Å; S260-I264 PolarHBondContact O-N 3.44Å; I264-S266 VanDerWaalsContact C-N 3.33Å; I264-S266 PolarHBondContact O-N 2.89Å; I264-I267 PolarHBondContact O-N 2.97Å; I264-Y268 HydrophobicContact CG2-CD2 3.93Å; I264-Y268 HydrophobicContact CG2-CE2 3.63Å; I264-Y268 WeakPolarHBondContact O-CD2 3.24Å; I264-Y268 PolarHBondContact O-N 3.45Å |
| 265 | T | 93 | Very high | 93.2 | Very high | 65 Ų | 65 | 38.2 Ų | 38.2 | 40% | 0.399 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61.6 | -42.7 | 177.3 | -57.6 | 0 | 0 | 0 | 0 | 111.1 | K261 E262 E263 Y268 R269 | K261-T265 WeakPolarHBondContact O-CB 3.46Å; K261-T265 PolarHBondContact O-N 3.14Å; K261-T265 PolarHBondContact O-OG1 2.85Å; E262-T265 PolarHBondContact O-N 3.46Å; E263-T265 VanDerWaalsContact C-N 3.33Å; E263-T265 PolarHBondContact O-N 2.9Å; T265-Y268 PolarHBondContact O-N 2.96Å; T265-R269 HydrophobicContact CG2-CG 4.47Å; T265-R269 WeakPolarHBondContact O-CG 3.42Å; T265-R269 PolarHBondContact O-N 3.33Å |
| 266 | S | 94.3 | Very high | 93.4 | Very high | 11 Ų | 11 | 33.4 Ų | 33.4 | 8% | 0.077 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.8 | -41.7 | 176.1 | -71.6 | 0 | 0 | 0 | 0 | 112.7 | E262 E263 I264 Y268 R269 I270 N541 | E262-S266 WeakPolarHBondContact O-CB 3.48Å; E262-S266 PolarHBondContact O-N 3.01Å; E262-S266 PolarHBondContact O-OG 3.28Å; E263-S266 WeakPolarHBondContact O-CB 3.45Å; E263-S266 PolarHBondContact O-N 3.1Å; I264-S266 VanDerWaalsContact C-N 3.33Å; I264-S266 PolarHBondContact O-N 2.89Å; S266-Y268 VanDerWaalsContact C-N 3.32Å; S266-Y268 PolarHBondContact O-N 3.48Å; S266-R269 PolarHBondContact O-N 3.44Å; S266-I270 VanDerWaalsContact O-CG1 3.26Å; S266-I270 WeakPolarHBondContact O-CG1 3.4Å; S266-I270 PolarHBondContact O-N 3.32Å; S266-N541 PolarHBondContact OG-ND2 2.74Å; S266-N541 PolarHBondContact OG-OD1 2.94Å |
| 267 | I | 95.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -55.5 | -48.7 | 175.4 | -67.5 | 167.9 | 0 | 0 | 0 | 110.5 | F148 L254 F259 E263 I264 I270 L271 L352 W355 I356 | F148-I267 HydrophobicContact CE1-CG2 3.73Å; F148-I267 HydrophobicContact CZ-CG2 3.42Å; F148-I267 VanDerWaalsContact CZ-CG2 3.42Å; L254-I267 HydrophobicContact CD2-CD1 4.47Å; F259-I267 HydrophobicContact CD1-CD1 4.15Å; F259-I267 HydrophobicContact CE1-CD1 4.15Å; E263-I267 WeakPolarHBondContact O-CG1 3.42Å; E263-I267 PolarHBondContact O-N 3.13Å; I264-I267 PolarHBondContact O-N 2.97Å; I267-I270 PolarHBondContact O-N 3.29Å; I267-L271 PolarHBondContact O-N 3.15Å; I267-L271 VanDerWaalsContact O-N 3.09Å; I267-L352 HydrophobicContact CB-CD1 4.41Å; I267-L352 HydrophobicContact CG1-CD1 4.13Å; I267-L352 HydrophobicContact CG2-CD1 4.26Å; I267-L352 HydrophobicContact CG2-CD2 4.46Å; I267-W355 HydrophobicContact CD1-CZ3 4.03Å; I267-W355 HydrophobicContact CG1-CZ3 3.98Å; I267-I356 HydrophobicContact CD1-CD1 4.38Å; I267-I356 HydrophobicContact CD1-CG1 4.22Å; I267-I356 HydrophobicContact CG2-CD1 4.34Å |
| 268 | Y | 94.6 | Very high | 93.8 | Very high | 15 Ų | 15 | 30 Ų | 30 | 6% | 0.059 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -72.7 | -31.2 | -179.3 | -69.4 | -65.4 | 0 | 0 | 0 | 113.6 | L207 H247 M251 I264 T265 S266 I270 L271 A272 | L207-Y268 HydrophobicContact CB-CD1 4.32Å; L207-Y268 HydrophobicContact CB-CE1 4.44Å; L207-Y268 HydrophobicContact CD1-CD1 3.62Å; L207-Y268 HydrophobicContact CD1-CE1 4.19Å; L207-Y268 HydrophobicContact CD1-CG 4.2Å; L207-Y268 HydrophobicContact CD2-CD1 4.12Å; L207-Y268 HydrophobicContact CG-CD1 4.22Å; H247-Y268 AromaticContact CE1-CE1 3.76Å; H247-Y268 AromaticContact CE1-CZ 3.58Å; H247-Y268 PolarHBondContact CE1-OH 3.44Å; H247-Y268 VanDerWaalsContact CE1-OH 3.24Å; M251-Y268 HydrophobicContact CE-CE2 4.4Å; M251-Y268 HydrophobicContact SD-CE2 3.39Å; M251-Y268 WeakPolarHBondContact SD-CE2 3.21Å; M251-Y268 PolarHBondContact SD-OH 3.19Å; I264-Y268 HydrophobicContact CG2-CD2 3.93Å; I264-Y268 HydrophobicContact CG2-CE2 3.63Å; I264-Y268 WeakPolarHBondContact O-CD2 3.24Å; I264-Y268 PolarHBondContact O-N 3.45Å; T265-Y268 PolarHBondContact O-N 2.96Å; S266-Y268 VanDerWaalsContact C-N 3.32Å; S266-Y268 PolarHBondContact O-N 3.48Å; Y268-I270 VanDerWaalsContact C-N 3.32Å; Y268-L271 HydrophobicContact CD1-CD1 3.92Å; Y268-L271 HydrophobicContact CE1-CD1 4.28Å; Y268-L271 PolarHBondContact O-N 3.4Å; Y268-A272 WeakPolarHBondContact O-CB 3.5Å; Y268-A272 PolarHBondContact O-N 2.94Å |
| 269 | R | 95.2 | Very high | 94 | Very high | 95 Ų | 95 | 30.4 Ų | 30.4 | 36% | 0.358 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -60.6 | -41.7 | 170 | -75.9 | 178.1 | 175.5 | -179.8 | -1.5 | 111.9 | L219 T265 S266 A272 A273 L303 | L219-R269 HydrophobicContact CD2-CB 4.33Å; L219-R269 HydrophobicContact CD2-CG 3.67Å; T265-R269 HydrophobicContact CG2-CG 4.47Å; T265-R269 WeakPolarHBondContact O-CG 3.42Å; T265-R269 PolarHBondContact O-N 3.33Å; S266-R269 PolarHBondContact O-N 3.44Å; R269-A272 PolarHBondContact O-N 3.18Å; R269-A273 WeakPolarHBondContact O-CB 3.49Å; R269-A273 PolarHBondContact O-N 3.38Å; R269-L303 HydrophobicContact CB-CD2 4.31Å; R269-L303 HydrophobicContact CG-CD2 4.03Å |
| 270 | I | 95.3 | Very high | 93.9 | Very high | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.8 | -43.2 | 177.4 | -63.8 | 165.4 | 0 | 0 | 0 | 110.7 | S266 I267 Y268 A272 A273 I274 L352 L544 M547 | S266-I270 VanDerWaalsContact O-CG1 3.26Å; S266-I270 WeakPolarHBondContact O-CG1 3.4Å; S266-I270 PolarHBondContact O-N 3.32Å; I267-I270 PolarHBondContact O-N 3.29Å; Y268-I270 VanDerWaalsContact C-N 3.32Å; I270-A272 VanDerWaalsContact C-N 3.33Å; I270-A272 PolarHBondContact O-N 3.36Å; I270-A273 PolarHBondContact O-N 2.89Å; I270-I274 HydrophobicContact CG2-CD1 4.09Å; I270-I274 VanDerWaalsContact O-CG1 3.31Å; I270-I274 WeakPolarHBondContact O-CG1 3.16Å; I270-I274 PolarHBondContact O-N 2.98Å; I270-L352 HydrophobicContact CB-CD2 4.29Å; I270-L352 HydrophobicContact CD1-CD1 4.05Å; I270-L352 HydrophobicContact CG2-CB 4.4Å; I270-L352 HydrophobicContact CG2-CD2 3.94Å; I270-L544 HydrophobicContact CD1-CD2 3.66Å; I270-L544 HydrophobicContact CD1-CG 3.94Å; I270-L544 HydrophobicContact CG1-CD1 4.46Å; I270-L544 HydrophobicContact CG1-CD2 3.8Å; I270-L544 HydrophobicContact CG1-CG 4.11Å; I270-M547 HydrophobicContact CD1-CE 3.52Å; I270-M547 HydrophobicContact CD1-SD 4.22Å |
| 271 | L | 95.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60 | -42.5 | 174.4 | -70.6 | 176.9 | 0 | 0 | 0 | 112.3 | F148 F204 L207 I267 Y268 I274 L275 Y349 L352 | F148-L271 HydrophobicContact CE1-CD1 3.75Å; F148-L271 HydrophobicContact CE1-CD2 4.09Å; F148-L271 HydrophobicContact CE1-CG 4.19Å; F148-L271 HydrophobicContact CZ-CD1 4.01Å; F204-L271 HydrophobicContact CD1-CD2 4.23Å; F204-L271 HydrophobicContact CE1-CD2 3.81Å; F204-L271 HydrophobicContact CZ-CD2 4.2Å; L207-L271 HydrophobicContact CD2-CB 3.98Å; I267-L271 PolarHBondContact O-N 3.15Å; I267-L271 VanDerWaalsContact O-N 3.09Å; Y268-L271 HydrophobicContact CD1-CD1 3.92Å; Y268-L271 HydrophobicContact CE1-CD1 4.28Å; Y268-L271 PolarHBondContact O-N 3.4Å; L271-I274 PolarHBondContact O-N 3.32Å; L271-L275 PolarHBondContact O-N 2.89Å; L271-L275 VanDerWaalsContact O-N 3.15Å; L271-Y349 HydrophobicContact CD2-CD2 4.06Å; L271-Y349 HydrophobicContact CD2-CE2 3.69Å; L271-L352 HydrophobicContact CD2-CD2 3.96Å; L271-L352 HydrophobicContact CG-CD2 4.15Å |
| 272 | A | 95.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.3 | -44.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L219 L221 Y268 R269 I270 I274 L275 L276 L303 | L219-A272 HydrophobicContact CB-CB 3.89Å; L219-A272 HydrophobicContact CD1-CB 4.44Å; L219-A272 HydrophobicContact CD2-CB 4.11Å; L219-A272 HydrophobicContact CG-CB 4.37Å; L221-A272 HydrophobicContact CD1-CB 3.67Å; L221-A272 HydrophobicContact CD2-CB 4.25Å; L221-A272 HydrophobicContact CG-CB 4.01Å; Y268-A272 WeakPolarHBondContact O-CB 3.5Å; Y268-A272 PolarHBondContact O-N 2.94Å; R269-A272 PolarHBondContact O-N 3.18Å; I270-A272 VanDerWaalsContact C-N 3.33Å; I270-A272 PolarHBondContact O-N 3.36Å; A272-I274 VanDerWaalsContact C-N 3.3Å; A272-I274 PolarHBondContact O-N 2.77Å; A272-L275 PolarHBondContact O-N 2.75Å; A272-L276 WeakPolarHBondContact O-CG 3.41Å; A272-L276 PolarHBondContact O-N 3.05Å; A272-L303 HydrophobicContact CB-CD1 3.85Å |
| 273 | A | 95.4 | Very high | 93.3 | Very high | 2 Ų | 2 | 21.5 Ų | 21.5 | 2% | 0.017 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.5 | -39.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | R269 I270 L276 L277 L303 T304 | R269-A273 WeakPolarHBondContact O-CB 3.49Å; R269-A273 PolarHBondContact O-N 3.38Å; I270-A273 PolarHBondContact O-N 2.89Å; A273-L276 PolarHBondContact O-N 2.78Å; A273-L277 WeakPolarHBondContact O-CB 3.2Å; A273-L277 PolarHBondContact O-N 3.2Å; A273-L303 HydrophobicContact CB-CB 4.22Å; A273-L303 HydrophobicContact CB-CD1 4.38Å; A273-T304 HydrophobicContact CB-CG2 4.01Å |
| 274 | I | 95.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.3 | -43.1 | 176 | -68.2 | 163.5 | 0 | 0 | 0 | 111.5 | V191 F204 Y230 I270 L271 A272 L277 G278 A345 L348 Y349 | V191-I274 HydrophobicContact CG1-CG2 3.88Å; F204-I274 HydrophobicContact CE1-CB 4.29Å; F204-I274 HydrophobicContact CE1-CG2 3.97Å; F204-I274 HydrophobicContact CZ-CG2 3.89Å; Y230-I274 HydrophobicContact CD2-CG2 4.27Å; Y230-I274 WeakPolarHBondContact CD2-O 3.42Å; Y230-I274 WeakPolarHBondContact CE2-O 3.5Å; I270-I274 HydrophobicContact CG2-CD1 4.09Å; I270-I274 VanDerWaalsContact O-CG1 3.31Å; I270-I274 WeakPolarHBondContact O-CG1 3.16Å; I270-I274 PolarHBondContact O-N 2.98Å; L271-I274 PolarHBondContact O-N 3.32Å; A272-I274 VanDerWaalsContact C-N 3.3Å; A272-I274 PolarHBondContact O-N 2.77Å; I274-L277 PolarHBondContact O-N 2.91Å; I274-G278 PolarHBondContact O-N 2.89Å; I274-A345 HydrophobicContact CG2-CB 4.38Å; I274-L348 HydrophobicContact CD1-CB 3.95Å; I274-L348 HydrophobicContact CG1-CB 3.93Å; I274-L348 HydrophobicContact CG1-CD1 4.15Å; I274-Y349 HydrophobicContact CD1-CD2 3.97Å; I274-Y349 HydrophobicContact CD1-CG 4.49Å |
| 275 | L | 94.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.8 | -44.6 | 178.2 | -71.3 | 175.1 | 0 | 0 | 0 | 112 | F204 L208 L221 Y228 T231 L271 A272 L277 G278 | F204-L275 HydrophobicContact CD1-CD1 4.08Å; F204-L275 HydrophobicContact CD1-CD2 3.65Å; F204-L275 HydrophobicContact CD1-CG 3.75Å; F204-L275 HydrophobicContact CE1-CD2 4.1Å; F204-L275 HydrophobicContact CE1-CG 4.09Å; F204-L275 HydrophobicContact CG-CD2 4.26Å; L208-L275 HydrophobicContact CD1-CD1 4.06Å; L208-L275 HydrophobicContact CD2-CD1 3.96Å; L208-L275 HydrophobicContact CG-CD1 4.14Å; L221-L275 HydrophobicContact CD1-CD1 4.26Å; L221-L275 HydrophobicContact CD2-CB 4.35Å; L221-L275 HydrophobicContact CD2-CD1 4.28Å; Y228-L275 HydrophobicContact CD1-CB 3.83Å; Y228-L275 HydrophobicContact CE1-CB 4.29Å; Y228-L275 HydrophobicContact CG-CB 4.17Å; Y228-L275 HydrophobicContact CG-CD2 4.36Å; T231-L275 HydrophobicContact CG2-CD2 3.63Å; L271-L275 PolarHBondContact O-N 2.89Å; L271-L275 VanDerWaalsContact O-N 3.15Å; A272-L275 PolarHBondContact O-N 2.75Å; L275-L277 VanDerWaalsContact C-N 3.34Å; L275-G278 PolarHBondContact O-N 2.57Å |
| 276 | L | 93.9 | Very high | 90.7 | Very high | 13 Ų | 13 | 29.5 Ų | 29.5 | 7% | 0.068 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -68 | -35.4 | 177.7 | -66.8 | 175.9 | 0 | 0 | 0 | 112 | H220 L221 Y228 A272 A273 G278 N279 V280 T296 H299 I300 L303 | H220-L276 HydrophobicContact CB-CD1 4.24Å; L221-L276 HydrophobicContact CD2-CD2 4.3Å; L221-L276 HydrophobicContact CD2-CG 4.25Å; Y228-L276 HydrophobicContact CE1-CD2 4.18Å; A272-L276 WeakPolarHBondContact O-CG 3.41Å; A272-L276 PolarHBondContact O-N 3.05Å; A273-L276 PolarHBondContact O-N 2.78Å; L276-G278 VanDerWaalsContact C-N 3.26Å; L276-G278 PolarHBondContact O-N 2.88Å; L276-N279 PolarHBondContact O-N 2.83Å; L276-V280 PolarHBondContact O-N 3.5Å; L276-T296 HydrophobicContact CB-CG2 4.26Å; L276-T296 WeakPolarHBondContact O-CG2 3.43Å; L276-H299 HydrophobicContact CD1-CB 4.01Å; L276-I300 HydrophobicContact CB-CD1 4.33Å; L276-I300 HydrophobicContact CB-CG1 3.9Å; L276-L303 HydrophobicContact CD1-CD1 3.64Å |
| 277 | L | 93.4 | Very high | 89.5 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.4 | -39.7 | 175.7 | -174.3 | 65.9 | 0 | 0 | 0 | 111.1 | A273 I274 L275 N279 V280 I300 L315 R341 F344 A345 L348 | A273-L277 WeakPolarHBondContact O-CB 3.2Å; A273-L277 PolarHBondContact O-N 3.2Å; I274-L277 PolarHBondContact O-N 2.91Å; L275-L277 VanDerWaalsContact C-N 3.34Å; L277-N279 PolarHBondContact O-N 3.15Å; L277-V280 HydrophobicContact CD1-CG2 4.45Å; L277-V280 WeakPolarHBondContact O-CB 3.3Å; L277-V280 WeakPolarHBondContact O-CG2 3.33Å; L277-V280 PolarHBondContact O-N 3.46Å; L277-V280 VanDerWaalsContact O-N 3.11Å; L277-I300 HydrophobicContact CB-CD1 4.29Å; L277-I300 HydrophobicContact CD1-CD1 4.19Å; L277-L315 HydrophobicContact CD1-CD2 4.12Å; L277-R341 HydrophobicContact CD1-CG 3.92Å; L277-R341 HydrophobicContact CD2-CG 4.49Å; L277-R341 HydrophobicContact CG-CG 3.77Å; L277-R341 VanDerWaalsContact O-CD 3.23Å; L277-R341 WeakPolarHBondContact O-CD 3.39Å; L277-F344 HydrophobicContact CD1-CD1 4.37Å; L277-F344 HydrophobicContact CD2-CB 4.37Å; L277-F344 HydrophobicContact CD2-CD1 3.59Å; L277-F344 HydrophobicContact CD2-CE1 4.25Å; L277-F344 HydrophobicContact CD2-CG 4.27Å; L277-A345 HydrophobicContact CD2-CB 3.89Å; L277-L348 HydrophobicContact CD2-CD1 4.49Å |
| 278 | G | 91.6 | Very high | 88.5 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -17.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | T229 Y230 I274 L275 L276 | T229-G278 WeakPolarHBondContact CB-O 3.26Å; T229-G278 PolarHBondContact OG1-O 3.44Å; Y230-G278 VanDerWaalsContact CZ-CA 3.41Å; I274-G278 PolarHBondContact O-N 2.89Å; L275-G278 PolarHBondContact O-N 2.57Å; L276-G278 VanDerWaalsContact C-N 3.26Å; L276-G278 PolarHBondContact O-N 2.88Å |
| 279 | N | 92.5 | Very high | 88 | Confident | 49 Ų | 49 | 42.1 Ų | 42.1 | 26% | 0.262 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 0.3 | 176.5 | -71.8 | 8.7 | 0 | 0 | 0 | 112.8 | L227 Y228 T229 L276 L277 E281 | L227-N279 PolarHBondContact O-ND2 2.89Å; Y228-N279 WeakPolarHBondContact CA-OD1 3.42Å; T229-N279 PolarHBondContact N-OD1 3.48Å; T229-N279 PolarHBondContact OG1-OD1 2.89Å; L276-N279 PolarHBondContact O-N 2.83Å; L277-N279 PolarHBondContact O-N 3.15Å; N279-E281 PolarHBondContact O-N 3.38Å |
| 280 | V | 91.4 | Very high | 87.6 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | trans | -72.9 | 118.8 | 172.7 | 179.2 | 0 | 0 | 0 | 0 | 108.9 | L276 L277 F282 I291 T296 I300 R341 | L276-V280 PolarHBondContact O-N 3.5Å; L277-V280 HydrophobicContact CD1-CG2 4.45Å; L277-V280 WeakPolarHBondContact O-CB 3.3Å; L277-V280 WeakPolarHBondContact O-CG2 3.33Å; L277-V280 PolarHBondContact O-N 3.46Å; L277-V280 VanDerWaalsContact O-N 3.11Å; V280-F282 HydrophobicContact CG1-CE1 4.14Å; V280-F282 HydrophobicContact CG1-CE2 4.4Å; V280-F282 HydrophobicContact CG1-CZ 3.96Å; V280-I291 HydrophobicContact CG1-CG2 3.73Å; V280-T296 HydrophobicContact CG2-CG2 3.91Å; V280-I300 HydrophobicContact CG2-CD1 3.74Å; V280-R341 PolarHBondContact O-NH1 2.96Å | ||
| 281 | E | 89.5 | Confident | 87.2 | Confident | 125 Ų | 125 | 42.9 Ų | 42.9 | 58% | 0.584 | 24% | 0.243 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 145.7 | 175.6 | -67.2 | -176.5 | 174.2 | 0 | 0 | 110.4 | N279 L292 | N279-E281 PolarHBondContact O-N 3.38Å; E281-L292 HydrophobicContact CB-CB 4.11Å; E281-L292 HydrophobicContact CB-CD1 4.21Å; E281-L292 PolarHBondContact O-N 3.3Å |
| 282 | F | 90.2 | Very high | 86.6 | Confident | 13 Ų | 13 | 47.3 Ų | 47.3 | 6% | 0.057 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 134.7 | 179.5 | -60.7 | -76.9 | 0 | 0 | 0 | 109.3 | V280 V289 Q290 I291 L315 L316 E334 A337 R341 | V280-F282 HydrophobicContact CG1-CE1 4.14Å; V280-F282 HydrophobicContact CG1-CE2 4.4Å; V280-F282 HydrophobicContact CG1-CZ 3.96Å; F282-V289 HydrophobicContact CB-CG1 3.84Å; F282-V289 HydrophobicContact CD1-CG1 4.08Å; F282-V289 HydrophobicContact CG-CG1 4.3Å; F282-Q290 WeakPolarHBondContact CA-O 3.49Å; F282-I291 HydrophobicContact CD1-CG1 4.06Å; F282-I291 HydrophobicContact CE1-CD1 4.49Å; F282-I291 HydrophobicContact CE1-CG1 3.89Å; F282-L315 HydrophobicContact CE1-CB 4.15Å; F282-L315 HydrophobicContact CZ-CB 4.31Å; F282-L315 HydrophobicContact CZ-CD2 4.41Å; F282-L316 HydrophobicContact CD1-CD2 4.2Å; F282-L316 HydrophobicContact CE1-CD2 4.31Å; F282-E334 HydrophobicContact CB-CG 4.33Å; F282-A337 HydrophobicContact CD1-CB 3.89Å; F282-A337 HydrophobicContact CD2-CB 3.97Å; F282-A337 HydrophobicContact CE1-CB 3.93Å; F282-A337 HydrophobicContact CE2-CB 3.99Å; F282-A337 HydrophobicContact CG-CB 3.91Å; F282-A337 HydrophobicContact CZ-CB 3.97Å; F282-R341 HydrophobicContact CE2-CB 4.01Å; F282-R341 HydrophobicContact CE2-CG 4.48Å; F282-R341 HydrophobicContact CZ-CB 4.24Å |
| 283 | G | 84.2 | Confident | 85.7 | Confident | 18 Ų | 18 | 49.3 Ų | 49.3 | 19% | 0.186 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 149.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | V289 Q290 | G283-V289 WeakPolarHBondContact O-CA 3.38Å; G283-Q290 PolarHBondContact N-O 3.49Å; G283-Q290 PolarHBondContact O-N 3.5Å |
| 284 | S | 81 | Confident | 85 | Confident | 76 Ų | 76 | 53.3 Ų | 53.3 | 53% | 0.531 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 118.7 | 174.3 | -166.1 | 0 | 0 | 0 | 0 | 109.7 | G286 | S284-G286 PolarHBondContact OG-O 3.01Å |
| 285 | E | 73.3 | Confident | 84.6 | Confident | 128 Ų | 128 | 58.6 Ų | 58.6 | 60% | 0.598 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 95.7 | 170.4 | -155 | 179 | -157.1 | 0 | 0 | 107.7 | S288 Q290 | E285-S288 PolarHBondContact N-O 2.93Å; E285-S288 PolarHBondContact O-N 3.06Å; E285-S288 PolarHBondContact O-OG 3.32Å; E285-Q290 PolarHBondContact OE2-NE2 3Å |
| 286 | G | 73 | Confident | 84.3 | Confident | 68 Ų | 68 | 60.2 Ų | 60.2 | 70% | 0.701 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.9 | -130.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | S284 | S284-G286 PolarHBondContact OG-O 3.01Š|
| 287 | E | 68.5 | Low | 84.1 | Confident | 210 Ų | 210 | 59.6 Ų | 59.6 | 98% | 0.981 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -2.4 | 175.2 | -70.9 | -169.5 | 159.6 | 0 | 0 | 113.4 | ||
| 288 | S | 74.5 | Confident | 84 | Confident | 67 Ų | 67 | 62.7 Ų | 62.7 | 47% | 0.469 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 137.1 | -179.7 | 51.8 | 0 | 0 | 0 | 0 | 112.4 | E285 | E285-S288 PolarHBondContact N-O 2.93Å; E285-S288 PolarHBondContact O-N 3.06Å; E285-S288 PolarHBondContact O-OG 3.32Å |
| 289 | V | 84.8 | Confident | 84 | Confident | 15 Ų | 15 | 65.7 Ų | 65.7 | 9% | 0.091 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 137.6 | 174.2 | -179.6 | 0 | 0 | 0 | 0 | 109.6 | F282 G283 L316 H332 E334 A337 | F282-V289 HydrophobicContact CB-CG1 3.84Å; F282-V289 HydrophobicContact CD1-CG1 4.08Å; F282-V289 HydrophobicContact CG-CG1 4.3Å; G283-V289 WeakPolarHBondContact O-CA 3.38Å; V289-L316 HydrophobicContact CB-CD2 4.26Å; V289-L316 HydrophobicContact CG1-CD2 3.94Å; V289-L316 WeakPolarHBondContact O-CD2 3.31Å; V289-H332 WeakPolarHBondContact CG2-O 3.35Å; V289-E334 HydrophobicContact CG2-CB 4.38Å; V289-A337 HydrophobicContact CG1-CB 4.31Å |
| 290 | Q | 86.2 | Confident | 84 | Confident | 92 Ų | 92 | 63.6 Ų | 63.6 | 43% | 0.43 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 158.5 | 174 | -66 | -175.8 | 14.8 | 0 | 0 | 110.9 | F282 G283 E285 | F282-Q290 WeakPolarHBondContact CA-O 3.49Å; G283-Q290 PolarHBondContact N-O 3.49Å; G283-Q290 PolarHBondContact O-N 3.5Å; E285-Q290 PolarHBondContact OE2-NE2 3Å |
| 291 | I | 86.9 | Confident | 84 | Confident | 20 Ų | 20 | 64 Ų | 64 | 10% | 0.103 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 127.7 | 176.9 | -59.7 | 173.6 | 0 | 0 | 0 | 109.2 | V280 F282 G293 V297 A312 L315 L316 | V280-I291 HydrophobicContact CG1-CG2 3.73Å; F282-I291 HydrophobicContact CD1-CG1 4.06Å; F282-I291 HydrophobicContact CE1-CD1 4.49Å; F282-I291 HydrophobicContact CE1-CG1 3.89Å; I291-G293 PolarHBondContact O-N 3.49Å; I291-V297 HydrophobicContact CD1-CG2 3.83Å; I291-V297 HydrophobicContact CG2-CG2 3.84Å; I291-A312 HydrophobicContact CD1-CB 4.17Å; I291-L315 HydrophobicContact CD1-CB 4.2Å; I291-L315 HydrophobicContact CD1-CD1 4Å; I291-L316 HydrophobicContact CD1-CD1 4.37Å; I291-L316 HydrophobicContact CD1-CG 4.21Å; I291-L316 HydrophobicContact CG1-CD1 4.24Å; I291-L316 HydrophobicContact CG1-CD2 3.9Å; I291-L316 HydrophobicContact CG1-CG 4.09Å |
| 292 | L | 82.7 | Confident | 84.2 | Confident | 94 Ų | 94 | 63.6 Ų | 63.6 | 49% | 0.492 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 110.5 | 174 | -61.9 | 172.5 | 0 | 0 | 0 | 108.6 | E281 | E281-L292 HydrophobicContact CB-CB 4.11Å; E281-L292 HydrophobicContact CB-CD1 4.21Å; E281-L292 PolarHBondContact O-N 3.3Å |
| 293 | G | 75.7 | Confident | 84.3 | Confident | 41 Ų | 41 | 63.1 Ų | 63.1 | 42% | 0.423 | 36% | 0.358 | S | S | . | . | trans | 91.6 | 80.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | I291 D295 T296 | I291-G293 PolarHBondContact O-N 3.49Å; G293-D295 PolarHBondContact O-N 3.4Å; G293-T296 PolarHBondContact O-N 3.15Å | ||
| 294 | Q | 81.9 | Confident | 84.7 | Confident | 87 Ų | 87 | 62.4 Ų | 62.4 | 41% | 0.407 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.1 | -24.6 | -179.1 | -165.8 | 61.7 | 35.5 | 0 | 0 | 113.6 | T296 V297 N298 | Q294-T296 VanDerWaalsContact C-N 3.29Å; Q294-T296 PolarHBondContact O-N 2.98Å; Q294-V297 WeakPolarHBondContact O-CB 3.21Å; Q294-V297 PolarHBondContact O-N 3.48Å; Q294-V297 VanDerWaalsContact O-N 3.12Å; Q294-N298 PolarHBondContact O-N 3.17Å; Q294-N298 PolarHBondContact O-ND2 3.02Å |
| 295 | D | 87.1 | Confident | 85.2 | Confident | 110 Ų | 110 | 61.3 Ų | 61.3 | 59% | 0.588 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -60.2 | -37.8 | 178.9 | -63.3 | -29.8 | 0 | 0 | 0 | 112.3 | G293 V297 N298 H299 | G293-D295 PolarHBondContact O-N 3.4Å; D295-V297 VanDerWaalsContact C-N 3.31Å; D295-V297 PolarHBondContact O-N 3.31Å; D295-N298 WeakPolarHBondContact O-CB 3.44Å; D295-N298 PolarHBondContact O-N 2.92Å; D295-H299 VanDerWaalsContact O-CG 3.3Å; D295-H299 PolarHBondContact O-N 2.95Å; D295-H299 PolarHBondContact O-ND1 3.4Å |
| 296 | T | 87.9 | Confident | 86.1 | Confident | 34 Ų | 34 | 56 Ų | 56 | 21% | 0.209 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.9 | -38.4 | 177 | -50.5 | 0 | 0 | 0 | 0 | 111.2 | L276 V280 G293 Q294 H299 I300 | L276-T296 HydrophobicContact CB-CG2 4.26Å; L276-T296 WeakPolarHBondContact O-CG2 3.43Å; V280-T296 HydrophobicContact CG2-CG2 3.91Å; G293-T296 PolarHBondContact O-N 3.15Å; Q294-T296 VanDerWaalsContact C-N 3.29Å; Q294-T296 PolarHBondContact O-N 2.98Å; T296-H299 PolarHBondContact O-N 3.44Å; T296-I300 HydrophobicContact CG2-CD1 4.12Å; T296-I300 WeakPolarHBondContact O-CD1 3.47Å; T296-I300 VanDerWaalsContact O-CG1 3.23Å; T296-I300 WeakPolarHBondContact O-CG1 3.33Å; T296-I300 PolarHBondContact O-N 2.91Å |
| 297 | V | 88.8 | Confident | 87 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.6 | -40 | 176.3 | -178.7 | 0 | 0 | 0 | 0 | 110.8 | I291 Q294 D295 I300 S301 V311 A312 | I291-V297 HydrophobicContact CD1-CG2 3.83Å; I291-V297 HydrophobicContact CG2-CG2 3.84Å; Q294-V297 WeakPolarHBondContact O-CB 3.21Å; Q294-V297 PolarHBondContact O-N 3.48Å; Q294-V297 VanDerWaalsContact O-N 3.12Å; D295-V297 VanDerWaalsContact C-N 3.31Å; D295-V297 PolarHBondContact O-N 3.31Å; V297-I300 PolarHBondContact O-N 3.02Å; V297-S301 VanDerWaalsContact O-CB 3.29Å; V297-S301 WeakPolarHBondContact O-CB 3.47Å; V297-S301 PolarHBondContact O-N 2.98Å; V297-V311 HydrophobicContact CG1-CB 4.11Å; V297-V311 HydrophobicContact CG1-CG1 3.92Å; V297-A312 HydrophobicContact CG1-CB 4.33Å |
| 298 | N | 91.4 | Very high | 87.9 | Confident | 67 Ų | 67 | 48.5 Ų | 48.5 | 36% | 0.358 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.6 | -44.4 | 175.8 | -64.7 | -24.3 | 0 | 0 | 0 | 111.3 | Q294 D295 S301 E302 | Q294-N298 PolarHBondContact O-N 3.17Å; Q294-N298 PolarHBondContact O-ND2 3.02Å; D295-N298 WeakPolarHBondContact O-CB 3.44Å; D295-N298 PolarHBondContact O-N 2.92Å; N298-S301 PolarHBondContact O-N 3.49Å; N298-E302 PolarHBondContact O-N 3Å |
| 299 | H | 92.6 | Very high | 88.6 | Confident | 64 Ų | 64 | 52.8 Ų | 52.8 | 30% | 0.296 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.9 | -43 | 175.1 | -62 | 149.2 | 0 | 0 | 0 | 112.2 | H220 L276 D295 T296 S301 E302 L303 | H220-H299 HydrophobicContact CB-CB 4.32Å; H220-H299 AromaticContact CD2-CD2 3.64Å; H220-H299 AromaticContact CD2-CG 3.79Å; H220-H299 AromaticContact CE1-CD2 3.72Å; H220-H299 AromaticContact CG-CD2 3.74Å; H220-H299 AromaticContact CG-CG 3.83Å; H220-H299 AromaticContact ND1-CD2 3.83Å; H220-H299 AromaticContact ND1-NE2 3.97Å; H220-H299 AromaticContact NE2-CD2 3.62Å; L276-H299 HydrophobicContact CD1-CB 4.01Å; D295-H299 VanDerWaalsContact O-CG 3.3Å; D295-H299 PolarHBondContact O-N 2.95Å; D295-H299 PolarHBondContact O-ND1 3.4Å; T296-H299 PolarHBondContact O-N 3.44Å; H299-S301 VanDerWaalsContact C-N 3.35Å; H299-S301 PolarHBondContact O-N 3.46Å; H299-E302 PolarHBondContact O-N 3.38Å; H299-L303 VanDerWaalsContact O-CG 3.28Å; H299-L303 WeakPolarHBondContact O-CG 3.5Å; H299-L303 PolarHBondContact O-N 3.29Å |
| 300 | I | 92 | Very high | 88.8 | Confident | 5 Ų | 5 | 54.7 Ų | 54.7 | 3% | 0.026 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.6 | -47.2 | 176.3 | -68.8 | 162.9 | 0 | 0 | 0 | 110 | L276 L277 V280 T296 V297 E302 L303 T304 V311 | L276-I300 HydrophobicContact CB-CD1 4.33Å; L276-I300 HydrophobicContact CB-CG1 3.9Å; L277-I300 HydrophobicContact CB-CD1 4.29Å; L277-I300 HydrophobicContact CD1-CD1 4.19Å; V280-I300 HydrophobicContact CG2-CD1 3.74Å; T296-I300 HydrophobicContact CG2-CD1 4.12Å; T296-I300 WeakPolarHBondContact O-CD1 3.47Å; T296-I300 VanDerWaalsContact O-CG1 3.23Å; T296-I300 WeakPolarHBondContact O-CG1 3.33Å; T296-I300 PolarHBondContact O-N 2.91Å; V297-I300 PolarHBondContact O-N 3.02Å; I300-E302 VanDerWaalsContact C-N 3.32Å; I300-E302 PolarHBondContact O-N 2.92Å; I300-L303 PolarHBondContact O-N 2.95Å; I300-T304 HydrophobicContact CG2-CG2 4.39Å; I300-T304 PolarHBondContact O-N 3.19Å; I300-T304 PolarHBondContact O-OG1 3.4Å; I300-V311 HydrophobicContact CG2-CG1 4.31Å |
| 301 | S | 92.4 | Very high | 89 | Confident | 9 Ų | 9 | 50.5 Ų | 50.5 | 6% | 0.063 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58 | -40.8 | 177.7 | 154.3 | 0 | 0 | 0 | 0 | 112.7 | V297 N298 H299 T305 T306 P308 | V297-S301 VanDerWaalsContact O-CB 3.29Å; V297-S301 WeakPolarHBondContact O-CB 3.47Å; V297-S301 PolarHBondContact O-N 2.98Å; N298-S301 PolarHBondContact O-N 3.49Å; H299-S301 VanDerWaalsContact C-N 3.35Å; H299-S301 PolarHBondContact O-N 3.46Å; S301-T305 WeakPolarHBondContact O-CA 2.79Å; S301-T305 PolarHBondContact O-N 3.32Å; S301-T306 PolarHBondContact O-N 3.32Å; S301-T306 PolarHBondContact OG-O 2.57Å; S301-P308 VanDerWaalsContact OG-CD 3.24Å; S301-P308 WeakPolarHBondContact OG-CD 3.48Å; S301-P308 VanDerWaalsContact OG-CG 3.24Å; S301-P308 WeakPolarHBondContact OG-CG 3.44Å |
| 302 | E | 93.3 | Very high | 89.1 | Confident | 117 Ų | 117 | 50.2 Ų | 50.2 | 55% | 0.547 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.4 | -47.8 | 174.7 | -172.2 | -176.4 | 175.1 | 0 | 0 | 111.5 | H220 N298 H299 I300 T305 | H220-E302 IonicContact CD2-OE2 3.62Å; H220-E302 IonicContact CE1-OE2 2.87Å; H220-E302 IonicContact NE2-OE2 2.62Å; H220-E302 PolarHBondContact NE2-OE2 2.64Å; N298-E302 PolarHBondContact O-N 3Å; H299-E302 PolarHBondContact O-N 3.38Å; I300-E302 VanDerWaalsContact C-N 3.32Å; I300-E302 PolarHBondContact O-N 2.92Å; E302-T305 PolarHBondContact O-N 3.41Å; E302-T305 VanDerWaalsContact O-N 3.16Å |
| 303 | L | 92.9 | Very high | 89.4 | Confident | 4 Ų | 4 | 50.2 Ų | 50.2 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.3 | -39.4 | -178.6 | -67.4 | 171.3 | 0 | 0 | 0 | 112.8 | L219 R269 A272 A273 L276 H299 I300 T305 | L219-L303 HydrophobicContact CD2-CD2 3.89Å; R269-L303 HydrophobicContact CB-CD2 4.31Å; R269-L303 HydrophobicContact CG-CD2 4.03Å; A272-L303 HydrophobicContact CB-CD1 3.85Å; A273-L303 HydrophobicContact CB-CB 4.22Å; A273-L303 HydrophobicContact CB-CD1 4.38Å; L276-L303 HydrophobicContact CD1-CD1 3.64Å; H299-L303 VanDerWaalsContact O-CG 3.28Å; H299-L303 WeakPolarHBondContact O-CG 3.5Å; H299-L303 PolarHBondContact O-N 3.29Å; I300-L303 PolarHBondContact O-N 2.95Å; L303-T305 VanDerWaalsContact C-N 3.29Å |
| 304 | T | 91.9 | Very high | 90 | Very high | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.018 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -83.6 | -6.3 | 175.3 | 56.5 | 0 | 0 | 0 | 0 | 112.9 | A273 I300 T306 M536 S539 L544 | A273-T304 HydrophobicContact CB-CG2 4.01Å; I300-T304 HydrophobicContact CG2-CG2 4.39Å; I300-T304 PolarHBondContact O-N 3.19Å; I300-T304 PolarHBondContact O-OG1 3.4Å; T304-T306 VanDerWaalsContact C-N 3.28Å; T304-T306 PolarHBondContact O-N 3.3Å; T304-T306 PolarHBondContact OG1-OG1 3.48Å; T304-M536 HydrophobicContact CG2-CE 4.21Å; T304-M536 HydrophobicContact CG2-SD 4.3Å; T304-S539 WeakPolarHBondContact O-CB 3.24Å; T304-S539 PolarHBondContact O-OG 3.42Å; T304-L544 HydrophobicContact CG2-CD1 4.2Å; T304-L544 WeakPolarHBondContact O-CD1 3.44Å |
| 305 | T | 92.1 | Very high | 90.3 | Very high | 52 Ų | 52 | 44.5 Ų | 44.5 | 32% | 0.319 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 47.8 | -178.4 | -34.3 | 0 | 0 | 0 | 0 | 112 | S301 E302 L303 S540 | S301-T305 WeakPolarHBondContact O-CA 2.79Å; S301-T305 PolarHBondContact O-N 3.32Å; E302-T305 PolarHBondContact O-N 3.41Å; E302-T305 VanDerWaalsContact O-N 3.16Å; L303-T305 VanDerWaalsContact C-N 3.29Å; T305-S540 PolarHBondContact O-N 3.44Å; T305-S540 VanDerWaalsContact O-N 3.13Å |
| 306 | T | 91.7 | Very high | 90.4 | Very high | 17 Ų | 17 | 40.6 Ų | 40.6 | 10% | 0.104 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -123.7 | 164.3 | 178.6 | 50.5 | 0 | 0 | 0 | 0 | 110.2 | S301 T304 V311 L535 M536 | S301-T306 PolarHBondContact O-N 3.32Å; S301-T306 PolarHBondContact OG-O 2.57Å; T304-T306 VanDerWaalsContact C-N 3.28Å; T304-T306 PolarHBondContact O-N 3.3Å; T304-T306 PolarHBondContact OG1-OG1 3.48Å; T306-V311 VanDerWaalsContact OG1-CG2 3.29Å; T306-V311 WeakPolarHBondContact OG1-CG2 3.17Å; T306-L535 HydrophobicContact CG2-CD1 4.34Å; T306-L535 HydrophobicContact CG2-CG 4.48Å; T306-M536 HydrophobicContact CG2-CE 4.01Å |
| 307 | D | 90.6 | Very high | 90.3 | Very high | 77 Ų | 77 | 43 Ų | 43 | 41% | 0.412 | 22% | 0.224 | S | C | . | . | trans | -70.7 | 132.6 | 176.9 | 170.5 | 72.1 | 0 | 0 | 0 | 112.5 | E309 S310 V311 | D307-E309 PolarHBondContact O-N 2.98Å; D307-E309 WeakPolarHBondContact OD2-CB 3.31Å; D307-E309 PolarHBondContact OD2-N 3Å; D307-S310 WeakPolarHBondContact O-CB 3.42Å; D307-S310 PolarHBondContact O-N 3.39Å; D307-S310 PolarHBondContact OD2-N 3.19Å; D307-S310 PolarHBondContact OD2-OG 3.25Å; D307-V311 WeakPolarHBondContact O-CG2 3.18Å; D307-V311 PolarHBondContact O-N 3.4Å; D307-V311 VanDerWaalsContact O-N 3.12Å | ||
| 308 | P | 88.9 | Confident | 90.1 | Very high | 43 Ų | 43 | 47.4 Ų | 47.4 | 28% | 0.279 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.8 | -38.6 | -177.6 | -19.3 | 26.4 | 0 | 0 | 0 | 114.3 | S301 S310 V311 A312 | S301-P308 VanDerWaalsContact OG-CD 3.24Å; S301-P308 WeakPolarHBondContact OG-CD 3.48Å; S301-P308 VanDerWaalsContact OG-CG 3.24Å; S301-P308 WeakPolarHBondContact OG-CG 3.44Å; P308-S310 VanDerWaalsContact C-N 3.3Å; P308-S310 PolarHBondContact O-N 3Å; P308-V311 PolarHBondContact O-N 2.89Å; P308-A312 PolarHBondContact O-N 3.04Å |
| 309 | E | 89.4 | Confident | 89.7 | Confident | 157 Ų | 157 | 45.3 Ų | 45.3 | 73% | 0.734 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -65.6 | -39 | 179.1 | -61.6 | -175 | 172.9 | 0 | 0 | 110.6 | D307 A312 K313 | D307-E309 PolarHBondContact O-N 2.98Å; D307-E309 WeakPolarHBondContact OD2-CB 3.31Å; D307-E309 PolarHBondContact OD2-N 3Å; E309-A312 PolarHBondContact O-N 3.12Å; E309-K313 VanDerWaalsContact O-CB 3.23Å; E309-K313 WeakPolarHBondContact O-CB 3.49Å; E309-K313 PolarHBondContact O-N 3.38Å |
| 310 | S | 88.7 | Confident | 89 | Confident | 56 Ų | 56 | 44.8 Ų | 44.8 | 39% | 0.392 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.2 | -37.6 | 176.2 | -58 | 0 | 0 | 0 | 0 | 112.6 | D307 P308 G314 | D307-S310 WeakPolarHBondContact O-CB 3.42Å; D307-S310 PolarHBondContact O-N 3.39Å; D307-S310 PolarHBondContact OD2-N 3.19Å; D307-S310 PolarHBondContact OD2-OG 3.25Å; P308-S310 VanDerWaalsContact C-N 3.3Å; P308-S310 PolarHBondContact O-N 3Å; S310-G314 PolarHBondContact O-N 3.33Å |
| 311 | V | 89.6 | Confident | 87.9 | Confident | 3 Ų | 3 | 46.3 Ų | 46.3 | 2% | 0.018 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.2 | -48.4 | 174.2 | 178.6 | 0 | 0 | 0 | 0 | 110.5 | V297 I300 T306 D307 P308 K313 G314 L315 L535 | V297-V311 HydrophobicContact CG1-CB 4.11Å; V297-V311 HydrophobicContact CG1-CG1 3.92Å; I300-V311 HydrophobicContact CG2-CG1 4.31Å; T306-V311 VanDerWaalsContact OG1-CG2 3.29Å; T306-V311 WeakPolarHBondContact OG1-CG2 3.17Å; D307-V311 WeakPolarHBondContact O-CG2 3.18Å; D307-V311 PolarHBondContact O-N 3.4Å; D307-V311 VanDerWaalsContact O-N 3.12Å; P308-V311 PolarHBondContact O-N 2.89Å; V311-K313 VanDerWaalsContact C-N 3.33Å; V311-K313 PolarHBondContact O-N 3Å; V311-G314 PolarHBondContact O-N 3.21Å; V311-L315 HydrophobicContact CG1-CD1 4.18Å; V311-L315 WeakPolarHBondContact O-CG 3.33Å; V311-L315 PolarHBondContact O-N 2.92Å; V311-L315 VanDerWaalsContact O-N 3.14Å; V311-L535 HydrophobicContact CB-CD2 4.46Å; V311-L535 HydrophobicContact CG2-CD1 4.2Å; V311-L535 HydrophobicContact CG2-CD2 4.11Å |
| 312 | A | 90 | Very high | 86.6 | Confident | 14 Ų | 14 | 48.7 Ų | 48.7 | 12% | 0.116 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.2 | -43.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | I291 V297 P308 E309 G314 L315 L316 | I291-A312 HydrophobicContact CD1-CB 4.17Å; V297-A312 HydrophobicContact CG1-CB 4.33Å; P308-A312 PolarHBondContact O-N 3.04Å; E309-A312 PolarHBondContact O-N 3.12Å; A312-G314 PolarHBondContact O-N 3.11Å; A312-L315 PolarHBondContact O-N 2.82Å; A312-L316 WeakPolarHBondContact O-CB 3.44Å; A312-L316 WeakPolarHBondContact O-CG 3.46Å; A312-L316 PolarHBondContact O-N 3.42Å |
| 313 | K | 88.8 | Confident | 84.9 | Confident | 94 Ų | 94 | 47.8 Ų | 47.8 | 41% | 0.409 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.8 | -44.2 | 177.2 | -173.3 | 174.1 | -179 | 173.7 | 0 | 111.9 | E309 V311 L315 L316 F317 E329 | E309-K313 VanDerWaalsContact O-CB 3.23Å; E309-K313 WeakPolarHBondContact O-CB 3.49Å; E309-K313 PolarHBondContact O-N 3.38Å; V311-K313 VanDerWaalsContact C-N 3.33Å; V311-K313 PolarHBondContact O-N 3Å; K313-L315 VanDerWaalsContact C-N 3.27Å; K313-L315 PolarHBondContact O-N 3.41Å; K313-L316 PolarHBondContact O-N 3.05Å; K313-F317 HydrophobicContact CG-CB 4.49Å; K313-F317 HydrophobicContact CG-CD2 4.21Å; K313-F317 PolarHBondContact O-N 3.19Å; K313-E329 VanDerWaalsContact CE-CD 3.47Å; K313-E329 WeakPolarHBondContact CE-OE1 3.44Å; K313-E329 VanDerWaalsContact CE-OE2 3.25Å; K313-E329 WeakPolarHBondContact CE-OE2 3.23Å; K313-E329 VanDerWaalsContact NZ-CD 3.31Å; K313-E329 IonicContact NZ-OE1 3.25Å; K313-E329 PolarHBondContact NZ-OE1 3.21Å; K313-E329 IonicContact NZ-OE2 2.88Å; K313-E329 PolarHBondContact NZ-OE2 2.93Å |
| 314 | G | 87.4 | Confident | 83.2 | Confident | 6 Ų | 6 | 51.2 Ų | 51.2 | 6% | 0.062 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.8 | -28.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | S310 V311 A312 F532 | S310-G314 PolarHBondContact O-N 3.33Å; V311-G314 PolarHBondContact O-N 3.21Å; A312-G314 PolarHBondContact O-N 3.11Å; G314-F532 WeakPolarHBondContact O-CE1 3.46Å; G314-F532 WeakPolarHBondContact O-CZ 3.08Å |
| 315 | L | 89 | Confident | 81.9 | Confident | 3 Ų | 3 | 53.1 Ų | 53.1 | 2% | 0.016 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -82.1 | -28.1 | 176.5 | -68.7 | 170.4 | 0 | 0 | 0 | 113.2 | L277 F282 I291 V311 A312 K313 H332 R341 F532 | L277-L315 HydrophobicContact CD1-CD2 4.12Å; F282-L315 HydrophobicContact CE1-CB 4.15Å; F282-L315 HydrophobicContact CZ-CB 4.31Å; F282-L315 HydrophobicContact CZ-CD2 4.41Å; I291-L315 HydrophobicContact CD1-CB 4.2Å; I291-L315 HydrophobicContact CD1-CD1 4Å; V311-L315 HydrophobicContact CG1-CD1 4.18Å; V311-L315 WeakPolarHBondContact O-CG 3.33Å; V311-L315 PolarHBondContact O-N 2.92Å; V311-L315 VanDerWaalsContact O-N 3.14Å; A312-L315 PolarHBondContact O-N 2.82Å; K313-L315 VanDerWaalsContact C-N 3.27Å; K313-L315 PolarHBondContact O-N 3.41Å; L315-H332 PolarHBondContact O-CD2 3.01Å; L315-R341 HydrophobicContact CD2-CB 4.45Å; L315-F532 HydrophobicContact CD2-CE1 3.92Å; L315-F532 HydrophobicContact CD2-CZ 4.05Å; L315-F532 HydrophobicContact CG-CE1 4.4Å |
| 316 | L | 89.1 | Confident | 80.9 | Confident | 27 Ų | 27 | 57.3 Ų | 57.3 | 14% | 0.141 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -102.2 | -24.3 | -173.9 | -67.3 | 178.9 | 0 | 0 | 0 | 114.3 | F282 V289 I291 A312 K313 H332 | F282-L316 HydrophobicContact CD1-CD2 4.2Å; F282-L316 HydrophobicContact CE1-CD2 4.31Å; V289-L316 HydrophobicContact CB-CD2 4.26Å; V289-L316 HydrophobicContact CG1-CD2 3.94Å; V289-L316 WeakPolarHBondContact O-CD2 3.31Å; I291-L316 HydrophobicContact CD1-CD1 4.37Å; I291-L316 HydrophobicContact CD1-CG 4.21Å; I291-L316 HydrophobicContact CG1-CD1 4.24Å; I291-L316 HydrophobicContact CG1-CD2 3.9Å; I291-L316 HydrophobicContact CG1-CG 4.09Å; A312-L316 WeakPolarHBondContact O-CB 3.44Å; A312-L316 WeakPolarHBondContact O-CG 3.46Å; A312-L316 PolarHBondContact O-N 3.42Å; K313-L316 PolarHBondContact O-N 3.05Å; L316-H332 WeakPolarHBondContact O-CB 3.46Å; L316-H332 PolarHBondContact O-CD2 3.34Å; L316-H332 PolarHBondContact O-N 3.39Å |
| 317 | F | 86.5 | Confident | 80.2 | Confident | 85 Ų | 85 | 60.2 Ų | 60.2 | 37% | 0.373 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 148.3 | -175.3 | -58.4 | -90.1 | 0 | 0 | 0 | 111.3 | K313 H332 | K313-F317 HydrophobicContact CG-CB 4.49Å; K313-F317 HydrophobicContact CG-CD2 4.21Å; K313-F317 PolarHBondContact O-N 3.19Å; F317-H332 PolarHBondContact N-CD2 3.31Å |
| 318 | R | 84.6 | Confident | 79.7 | Confident | 93 Ų | 93 | 60.9 Ų | 60.9 | 35% | 0.351 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 133.7 | 169.3 | 171 | -177.3 | 175.3 | -174.4 | -1.2 | 110.9 | V320 K330 H332 F529 D531 | R318-V320 HydrophobicContact CG-CG2 3.93Å; R318-K330 PolarHBondContact N-O 3.38Å; R318-K330 PolarHBondContact O-N 3.25Å; R318-H332 WeakPolarHBondContact CB-CE1 3.47Å; R318-F529 HydrophobicContact CG-CD1 4.47Å; R318-F529 HydrophobicContact CG-CG 4.48Å; R318-D531 WeakPolarHBondContact CA-OD2 3.46Å |
| 319 | T | 82.1 | Confident | 79.4 | Confident | 23 Ų | 23 | 63.8 Ų | 63.8 | 14% | 0.141 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 125.9 | 173.6 | -45.3 | 0 | 0 | 0 | 0 | 110 | V327 D531 I555 | T319-V327 HydrophobicContact CG2-CG1 3.1Å; T319-D531 WeakPolarHBondContact CB-OD1 3.39Å; T319-D531 PolarHBondContact N-OD2 2.98Å; T319-D531 PolarHBondContact OG1-OD1 3.44Å; T319-I555 HydrophobicContact CG2-CD1 3.6Å |
| 320 | V | 77.1 | Confident | 79.1 | Confident | 52 Ų | 52 | 62.9 Ų | 62.9 | 32% | 0.315 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 126.4 | -178.9 | -172 | 0 | 0 | 0 | 0 | 109.8 | R318 I328 | R318-V320 HydrophobicContact CG-CG2 3.93Å; V320-I328 PolarHBondContact N-O 3.24Å; V320-I328 PolarHBondContact O-N 3.2Å |
| 321 | A | 70.3 | Confident | 78.9 | Confident | 37 Ų | 37 | 62 Ų | 62 | 31% | 0.306 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 126.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | E326 I555 | A321-E326 CarbonylContact C-O 3.46Å; A321-E326 WeakPolarHBondContact CA-O 3.28Å; A321-I555 HydrophobicContact CB-CG2 3.51Å |
| 322 | T | 65.6 | Low | 78.8 | Confident | 60 Ų | 60 | 62.5 Ų | 62.5 | 37% | 0.368 | 38% | 0.379 | S | S | . | . | trans | -77.9 | 160.9 | 169.6 | 52.8 | 0 | 0 | 0 | 0 | 110.2 | G324 G325 E326 I328 | T322-G324 PolarHBondContact O-N 3.11Å; T322-G325 PolarHBondContact O-N 3.42Å; T322-E326 PolarHBondContact N-O 2.94Å; T322-E326 PolarHBondContact OG1-O 3.23Å; T322-E326 VanDerWaalsContact OG1-O 3.12Å; T322-I328 HydrophobicContact CG2-CD1 3.67Å; T322-I328 HydrophobicContact CG2-CG1 4.41Å | ||
| 323 | G | 55.7 | Low | 78.6 | Confident | 98 Ų | 98 | 65.4 Ų | 65.4 | 100% | 1.01 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -7.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 324 | G | 58.3 | Low | 78.4 | Confident | 75 Ų | 75 | 65.6 Ų | 65.6 | 77% | 0.773 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | 3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | T322 | T322-G324 PolarHBondContact O-N 3.11Š|
| 325 | G | 64.5 | Low | 78.2 | Confident | 43 Ų | 43 | 73.8 Ų | 73.8 | 44% | 0.443 | 43% | 0.432 | S | S | . | . | S | Bend | trans | 87.8 | -1.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | T322 | T322-G325 PolarHBondContact O-N 3.42Š|
| 326 | E | 71.2 | Confident | 78 | Confident | 141 Ų | 141 | 76.6 Ų | 76.6 | 66% | 0.659 | 45% | 0.446 | S | S | * | . | trans | -77.4 | 136.1 | 173.8 | -69.2 | -176.6 | 166.2 | 0 | 0 | 111.3 | A321 T322 | A321-E326 CarbonylContact C-O 3.46Å; A321-E326 WeakPolarHBondContact CA-O 3.28Å; T322-E326 PolarHBondContact N-O 2.94Å; T322-E326 PolarHBondContact OG1-O 3.23Å; T322-E326 VanDerWaalsContact OG1-O 3.12Å | ||
| 327 | V | 76.6 | Confident | 77.9 | Confident | 78 Ų | 78 | 75.3 Ų | 75.3 | 47% | 0.473 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 115.2 | -176.9 | -176.9 | 0 | 0 | 0 | 0 | 108.7 | T319 I555 | T319-V327 HydrophobicContact CG2-CG1 3.1Å; V327-I555 HydrophobicContact CG1-CD1 4.15Å; V327-I555 HydrophobicContact CG2-CG2 4.32Å |
| 328 | I | 81.4 | Confident | 78 | Confident | 90 Ų | 90 | 73 Ų | 73 | 46% | 0.462 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 136.8 | -177.3 | -53.5 | 176.5 | 0 | 0 | 0 | 109.4 | V320 T322 | V320-I328 PolarHBondContact N-O 3.24Å; V320-I328 PolarHBondContact O-N 3.2Å; T322-I328 HydrophobicContact CG2-CD1 3.67Å; T322-I328 HydrophobicContact CG2-CG1 4.41Å |
| 329 | E | 81.4 | Confident | 78 | Confident | 104 Ų | 104 | 72.4 Ų | 72.4 | 49% | 0.486 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 122.5 | 171.5 | -67 | -175.4 | -179.7 | 0 | 0 | 110 | K313 | K313-E329 VanDerWaalsContact CE-CD 3.47Å; K313-E329 WeakPolarHBondContact CE-OE1 3.44Å; K313-E329 VanDerWaalsContact CE-OE2 3.25Å; K313-E329 WeakPolarHBondContact CE-OE2 3.23Å; K313-E329 VanDerWaalsContact NZ-CD 3.31Å; K313-E329 IonicContact NZ-OE1 3.25Å; K313-E329 PolarHBondContact NZ-OE1 3.21Å; K313-E329 IonicContact NZ-OE2 2.88Å; K313-E329 PolarHBondContact NZ-OE2 2.93Å |
| 330 | K | 84.4 | Confident | 78.3 | Confident | 138 Ų | 138 | 71.4 Ų | 71.4 | 60% | 0.6 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 123 | 177.9 | -173.7 | -175.6 | 176.3 | -173.2 | 0 | 109.2 | R318 | R318-K330 PolarHBondContact N-O 3.38Å; R318-K330 PolarHBondContact O-N 3.25Å |
| 331 | G | 84.1 | Confident | 79 | Confident | 38 Ų | 38 | 70.4 Ų | 70.4 | 39% | 0.392 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 141.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 332 | H | 86 | Confident | 79.9 | Confident | 14 Ų | 14 | 70.4 Ų | 70.4 | 7% | 0.065 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -75.3 | 146.3 | 173.7 | -74.6 | -51 | 0 | 0 | 0 | 111.1 | V289 L315 L316 F317 R318 D336 A337 F529 | V289-H332 WeakPolarHBondContact CG2-O 3.35Å; L315-H332 PolarHBondContact O-CD2 3.01Å; L316-H332 WeakPolarHBondContact O-CB 3.46Å; L316-H332 PolarHBondContact O-CD2 3.34Å; L316-H332 PolarHBondContact O-N 3.39Å; F317-H332 PolarHBondContact N-CD2 3.31Å; R318-H332 WeakPolarHBondContact CB-CE1 3.47Å; H332-D336 HydrophobicContact CB-CB 4.01Å; H332-A337 HydrophobicContact CB-CB 4.1Å; H332-F529 AromaticContact CE1-CD2 3.66Å; H332-F529 AromaticContact CE1-CE2 3.17Å; H332-F529 WeakPolarHBondContact CE1-CE2 3.5Å; H332-F529 AromaticContact CE1-CZ 3.63Å; H332-F529 AromaticContact NE2-CD2 3.63Å; H332-F529 AromaticContact NE2-CE2 3.47Å; H332-F529 WeakPolarHBondContact NE2-CE2 3.37Å |
| 333 | T | 86.4 | Confident | 81 | Confident | 74 Ų | 74 | 68.1 Ų | 68.1 | 45% | 0.454 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -77.1 | 162.6 | 158.9 | 67 | 0 | 0 | 0 | 0 | 109.5 | K335 D336 A337 | T333-K335 PolarHBondContact O-N 3.29Å; T333-D336 PolarHBondContact N-OD2 2.95Å; T333-D336 WeakPolarHBondContact O-CA 3.47Å; T333-D336 PolarHBondContact O-N 3.46Å; T333-D336 PolarHBondContact OG1-N 2.92Å; T333-D336 PolarHBondContact OG1-OD2 3.2Å; T333-A337 PolarHBondContact O-N 3.46Å |
| 334 | E | 85.1 | Confident | 82.8 | Confident | 99 Ų | 99 | 63.7 Ų | 63.7 | 46% | 0.463 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -54.7 | -40 | 179.3 | -170.7 | -171.7 | 157.9 | 0 | 0 | 111.6 | F282 V289 A337 C338 | F282-E334 HydrophobicContact CB-CG 4.33Å; V289-E334 HydrophobicContact CG2-CB 4.38Å; E334-A337 PolarHBondContact O-N 2.99Å; E334-C338 PolarHBondContact O-N 3.13Å; E334-C338 PolarHBondContact O-SG 2.92Å; E334-C338 VanDerWaalsContact O-SG 3.41Å |
| 335 | K | 83.9 | Confident | 84.4 | Confident | 178 Ų | 178 | 60.1 Ų | 60.1 | 77% | 0.774 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -65.1 | -41.5 | 175 | -66.3 | -173.5 | 179.1 | -176.9 | 0 | 112.5 | T333 A337 F339 | T333-K335 PolarHBondContact O-N 3.29Å; K335-A337 VanDerWaalsContact C-N 3.35Å; K335-F339 VanDerWaalsContact O-CB 3.28Å; K335-F339 WeakPolarHBondContact O-CB 3.49Å; K335-F339 PolarHBondContact O-N 2.59Å |
| 336 | D | 83.9 | Confident | 85.7 | Confident | 61 Ų | 61 | 60.4 Ų | 60.4 | 33% | 0.326 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -68.2 | -35.7 | 178.1 | -62.4 | -42 | 0 | 0 | 0 | 111.8 | H332 T333 G340 | H332-D336 HydrophobicContact CB-CB 4.01Å; T333-D336 PolarHBondContact N-OD2 2.95Å; T333-D336 WeakPolarHBondContact O-CA 3.47Å; T333-D336 PolarHBondContact O-N 3.46Å; T333-D336 PolarHBondContact OG1-N 2.92Å; T333-D336 PolarHBondContact OG1-OD2 3.2Å; D336-G340 PolarHBondContact O-N 3.44Å |
| 337 | A | 86.9 | Confident | 86.6 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.5 | -46.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | F282 V289 H332 T333 E334 K335 F339 G340 R341 | F282-A337 HydrophobicContact CD1-CB 3.89Å; F282-A337 HydrophobicContact CD2-CB 3.97Å; F282-A337 HydrophobicContact CE1-CB 3.93Å; F282-A337 HydrophobicContact CE2-CB 3.99Å; F282-A337 HydrophobicContact CG-CB 3.91Å; F282-A337 HydrophobicContact CZ-CB 3.97Å; V289-A337 HydrophobicContact CG1-CB 4.31Å; H332-A337 HydrophobicContact CB-CB 4.1Å; T333-A337 PolarHBondContact O-N 3.46Å; E334-A337 PolarHBondContact O-N 2.99Å; K335-A337 VanDerWaalsContact C-N 3.35Å; A337-F339 PolarHBondContact O-N 3.15Å; A337-G340 PolarHBondContact O-N 2.98Å; A337-R341 WeakPolarHBondContact O-CB 3.42Å; A337-R341 PolarHBondContact O-N 3.2Å |
| 338 | C | 88.3 | Confident | 87.4 | Confident | 38 Ų | 38 | 50.5 Ų | 50.5 | 26% | 0.257 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -58.6 | -46.7 | 172.3 | -74.2 | 0 | 0 | 0 | 0 | 111.9 | E334 R341 D342 | E334-C338 PolarHBondContact O-N 3.13Å; E334-C338 PolarHBondContact O-SG 2.92Å; E334-C338 VanDerWaalsContact O-SG 3.41Å; C338-R341 PolarHBondContact O-N 3.09Å; C338-D342 PolarHBondContact O-N 3.43Å |
| 339 | F | 85.6 | Confident | 88.1 | Confident | 80 Ų | 80 | 46.3 Ų | 46.3 | 35% | 0.351 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.5 | -44.5 | 176.1 | 177.5 | -91.6 | 0 | 0 | 0 | 111.7 | K335 A337 D342 A343 L527 F529 | K335-F339 VanDerWaalsContact O-CB 3.28Å; K335-F339 WeakPolarHBondContact O-CB 3.49Å; K335-F339 PolarHBondContact O-N 2.59Å; A337-F339 PolarHBondContact O-N 3.15Å; F339-D342 PolarHBondContact O-N 2.8Å; F339-A343 HydrophobicContact CE1-CB 4.39Å; F339-A343 VanDerWaalsContact O-CB 3.23Å; F339-A343 WeakPolarHBondContact O-CB 3.42Å; F339-A343 PolarHBondContact O-N 3.12Å; F339-L527 HydrophobicContact CE1-CB 4.35Å; F339-F529 HydrophobicContact CD1-CZ 4.4Å |
| 340 | G | 87.8 | Confident | 88.6 | Confident | 2 Ų | 2 | 45 Ų | 45 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.2 | -45.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | D336 A337 A343 F344 F532 | D336-G340 PolarHBondContact O-N 3.44Å; A337-G340 PolarHBondContact O-N 2.98Å; G340-A343 PolarHBondContact O-N 2.93Å; G340-F344 VanDerWaalsContact O-CB 3.23Å; G340-F344 WeakPolarHBondContact O-CB 3.18Å; G340-F344 PolarHBondContact O-N 3.36Å; G340-F532 WeakPolarHBondContact O-CE2 3.3Å |
| 341 | R | 91.5 | Very high | 88.9 | Confident | 31 Ų | 31 | 42.3 Ų | 42.3 | 12% | 0.117 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.3 | -52 | 173.8 | 179.1 | -160.1 | 72.6 | -176.3 | -0.7 | 111.4 | L277 V280 F282 L315 A337 C338 F344 A345 | L277-R341 HydrophobicContact CD1-CG 3.92Å; L277-R341 HydrophobicContact CD2-CG 4.49Å; L277-R341 HydrophobicContact CG-CG 3.77Å; L277-R341 VanDerWaalsContact O-CD 3.23Å; L277-R341 WeakPolarHBondContact O-CD 3.39Å; V280-R341 PolarHBondContact O-NH1 2.96Å; F282-R341 HydrophobicContact CE2-CB 4.01Å; F282-R341 HydrophobicContact CE2-CG 4.48Å; F282-R341 HydrophobicContact CZ-CB 4.24Å; L315-R341 HydrophobicContact CD2-CB 4.45Å; A337-R341 WeakPolarHBondContact O-CB 3.42Å; A337-R341 PolarHBondContact O-N 3.2Å; C338-R341 PolarHBondContact O-N 3.09Å; R341-F344 PolarHBondContact O-N 3.06Å; R341-A345 PolarHBondContact O-N 3.3Å |
| 342 | D | 90.3 | Very high | 89.5 | Confident | 37 Ų | 37 | 40.5 Ų | 40.5 | 20% | 0.198 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.3 | -39.1 | -177.7 | -69.2 | -8.6 | 0 | 0 | 0 | 111.9 | V192 Y230 C338 F339 F344 A345 K346 | V192-D342 HydrophobicContact CB-CB 4.46Å; V192-D342 HydrophobicContact CG1-CB 3.99Å; Y230-D342 PolarHBondContact OH-OD1 2.78Å; C338-D342 PolarHBondContact O-N 3.43Å; F339-D342 PolarHBondContact O-N 2.8Å; D342-F344 VanDerWaalsContact C-N 3.32Å; D342-A345 PolarHBondContact O-N 3.35Å; D342-K346 WeakPolarHBondContact O-CG 3.43Å; D342-K346 PolarHBondContact O-N 3.29Å |
| 343 | A | 88.5 | Confident | 89.9 | Confident | 12 Ų | 12 | 39.8 Ų | 39.8 | 10% | 0.099 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.2 | -39.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F339 G340 K346 A347 | F339-A343 HydrophobicContact CE1-CB 4.39Å; F339-A343 VanDerWaalsContact O-CB 3.23Å; F339-A343 WeakPolarHBondContact O-CB 3.42Å; F339-A343 PolarHBondContact O-N 3.12Å; G340-A343 PolarHBondContact O-N 2.93Å; A343-K346 PolarHBondContact O-N 3.35Å; A343-A347 WeakPolarHBondContact O-CB 3.5Å; A343-A347 PolarHBondContact O-N 3.32Å |
| 344 | F | 91.9 | Very high | 90.2 | Very high | 4 Ų | 4 | 37.5 Ų | 37.5 | 2% | 0.018 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.4 | -43.2 | 176.4 | -176.6 | -138.3 | 0 | 0 | 0 | 112.1 | L277 G340 R341 D342 K346 A347 L348 L528 F532 M536 W548 | L277-F344 HydrophobicContact CD1-CD1 4.37Å; L277-F344 HydrophobicContact CD2-CB 4.37Å; L277-F344 HydrophobicContact CD2-CD1 3.59Å; L277-F344 HydrophobicContact CD2-CE1 4.25Å; L277-F344 HydrophobicContact CD2-CG 4.27Å; G340-F344 VanDerWaalsContact O-CB 3.23Å; G340-F344 WeakPolarHBondContact O-CB 3.18Å; G340-F344 PolarHBondContact O-N 3.36Å; R341-F344 PolarHBondContact O-N 3.06Å; D342-F344 VanDerWaalsContact C-N 3.32Å; F344-K346 PolarHBondContact O-N 3.03Å; F344-A347 PolarHBondContact O-N 3.25Å; F344-L348 HydrophobicContact CD1-CD1 4.22Å; F344-L348 HydrophobicContact CD2-CD1 4.25Å; F344-L348 HydrophobicContact CD2-CG 4.08Å; F344-L348 HydrophobicContact CE1-CD1 3.84Å; F344-L348 HydrophobicContact CE2-CD1 3.88Å; F344-L348 HydrophobicContact CE2-CD2 4Å; F344-L348 HydrophobicContact CE2-CG 3.7Å; F344-L348 HydrophobicContact CG-CD1 4.4Å; F344-L348 HydrophobicContact CZ-CD1 3.65Å; F344-L348 HydrophobicContact CZ-CD2 4.16Å; F344-L348 HydrophobicContact CZ-CG 3.97Å; F344-L348 WeakPolarHBondContact O-CB 3.32Å; F344-L348 WeakPolarHBondContact O-CG 3.3Å; F344-L348 PolarHBondContact O-N 3.06Å; F344-L528 HydrophobicContact CB-CD1 4.45Å; F344-F532 HydrophobicContact CB-CD1 4.3Å; F344-F532 HydrophobicContact CB-CD2 3.96Å; F344-F532 HydrophobicContact CB-CE1 4.34Å; F344-F532 HydrophobicContact CB-CE2 3.99Å; F344-F532 HydrophobicContact CB-CG 4.13Å; F344-F532 HydrophobicContact CB-CZ 4.2Å; F344-F532 AromaticContact CD1-CD1 3.88Å; F344-F532 HydrophobicContact CD1-CD1 3.88Å; F344-F532 HydrophobicContact CD1-CE1 4.02Å; F344-F532 HydrophobicContact CD1-CG 4.4Å; F344-F532 HydrophobicContact CD2-CB 3.68Å; F344-F532 HydrophobicContact CD2-CD1 4.01Å; F344-F532 HydrophobicContact CD2-CD2 4.34Å; F344-F532 AromaticContact CD2-CG 3.77Å; F344-F532 HydrophobicContact CD2-CG 3.77Å; F344-F532 HydrophobicContact CE1-CD1 4.18Å; F344-F532 HydrophobicContact CE2-CB 3.91Å; F344-F532 HydrophobicContact CE2-CD1 4.3Å; F344-F532 HydrophobicContact CE2-CG 4.28Å; F344-F532 HydrophobicContact CG-CB 4.29Å; F344-F532 AromaticContact CG-CD1 3.8Å; F344-F532 HydrophobicContact CG-CD1 3.8Å; F344-F532 HydrophobicContact CG-CD2 4.21Å; F344-F532 HydrophobicContact CG-CE1 4.15Å; F344-F532 AromaticContact CG-CG 3.85Å; F344-F532 HydrophobicContact CG-CG 3.85Å; F344-F532 HydrophobicContact CZ-CD1 4.38Å; F344-M536 HydrophobicContact CE2-CG 3.76Å; F344-M536 HydrophobicContact CE2-SD 4.23Å; F344-M536 HydrophobicContact CZ-CE 3.78Å; F344-M536 HydrophobicContact CZ-CG 3.83Å; F344-M536 HydrophobicContact CZ-SD 3.75Å; F344-W548 HydrophobicContact CE2-CZ2 4.25Å |
| 345 | A | 93.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.4 | -47.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V191 V192 Y230 I274 L277 R341 D342 A347 L348 Y349 | V191-A345 HydrophobicContact CG1-CB 4.49Å; V192-A345 HydrophobicContact CG1-CB 4.23Å; Y230-A345 HydrophobicContact CE2-CB 3.64Å; I274-A345 HydrophobicContact CG2-CB 4.38Å; L277-A345 HydrophobicContact CD2-CB 3.89Å; R341-A345 PolarHBondContact O-N 3.3Å; D342-A345 PolarHBondContact O-N 3.35Å; A345-A347 PolarHBondContact O-N 3.37Å; A345-L348 PolarHBondContact O-N 3.32Å; A345-Y349 PolarHBondContact O-N 3.01Å; A345-Y349 VanDerWaalsContact O-N 3.15Å |
| 346 | K | 91.3 | Very high | 91.1 | Very high | 49 Ų | 49 | 25 Ų | 25 | 21% | 0.213 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.7 | -46.7 | 175.8 | -69.6 | 170.1 | -171.7 | 170.8 | 0 | 111.5 | K188 V192 D342 A343 F344 Y349 E350 | K188-K346 HydrophobicContact CB-CB 4.35Å; K188-K346 HydrophobicContact CD-CB 4.3Å; K188-K346 HydrophobicContact CG-CB 4.4Å; V192-K346 HydrophobicContact CG1-CD 4.5Å; V192-K346 HydrophobicContact CG1-CG 3.91Å; V192-K346 HydrophobicContact CG2-CD 4.48Å; D342-K346 WeakPolarHBondContact O-CG 3.43Å; D342-K346 PolarHBondContact O-N 3.29Å; A343-K346 PolarHBondContact O-N 3.35Å; F344-K346 PolarHBondContact O-N 3.03Å; K346-Y349 PolarHBondContact O-N 3.37Å; K346-E350 WeakPolarHBondContact O-CB 3.08Å; K346-E350 PolarHBondContact O-N 3.07Å |
| 347 | A | 90.3 | Very high | 91.5 | Very high | 9 Ų | 9 | 22.2 Ų | 22.2 | 7% | 0.074 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -68.5 | -39.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A343 F344 A345 Y349 E350 R351 L528 W548 | A343-A347 WeakPolarHBondContact O-CB 3.5Å; A343-A347 PolarHBondContact O-N 3.32Å; F344-A347 PolarHBondContact O-N 3.25Å; A345-A347 PolarHBondContact O-N 3.37Å; A347-Y349 VanDerWaalsContact C-N 3.34Å; A347-Y349 PolarHBondContact O-N 2.84Å; A347-E350 PolarHBondContact O-N 3.07Å; A347-R351 WeakPolarHBondContact O-CB 3.25Å; A347-R351 WeakPolarHBondContact O-CG 3.34Å; A347-R351 PolarHBondContact O-N 2.75Å; A347-L528 HydrophobicContact CB-CD1 3.99Å; A347-L528 HydrophobicContact CB-CD2 3.75Å; A347-L528 HydrophobicContact CB-CG 4.44Å; A347-W548 HydrophobicContact CB-CH2 3.76Å |
| 348 | L | 93.6 | Very high | 91.7 | Very high | 3 Ų | 3 | 25.5 Ų | 25.5 | 2% | 0.016 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58 | -47.2 | 173.2 | -81.2 | 170.5 | 0 | 0 | 0 | 111.4 | I274 L277 F344 A345 L352 M536 L544 W548 | I274-L348 HydrophobicContact CD1-CB 3.95Å; I274-L348 HydrophobicContact CG1-CB 3.93Å; I274-L348 HydrophobicContact CG1-CD1 4.15Å; L277-L348 HydrophobicContact CD2-CD1 4.49Å; F344-L348 HydrophobicContact CD1-CD1 4.22Å; F344-L348 HydrophobicContact CD2-CD1 4.25Å; F344-L348 HydrophobicContact CD2-CG 4.08Å; F344-L348 HydrophobicContact CE1-CD1 3.84Å; F344-L348 HydrophobicContact CE2-CD1 3.88Å; F344-L348 HydrophobicContact CE2-CD2 4Å; F344-L348 HydrophobicContact CE2-CG 3.7Å; F344-L348 HydrophobicContact CG-CD1 4.4Å; F344-L348 HydrophobicContact CZ-CD1 3.65Å; F344-L348 HydrophobicContact CZ-CD2 4.16Å; F344-L348 HydrophobicContact CZ-CG 3.97Å; F344-L348 WeakPolarHBondContact O-CB 3.32Å; F344-L348 WeakPolarHBondContact O-CG 3.3Å; F344-L348 PolarHBondContact O-N 3.06Å; A345-L348 PolarHBondContact O-N 3.32Å; L348-L352 VanDerWaalsContact O-CB 3.22Å; L348-L352 WeakPolarHBondContact O-CB 3.37Å; L348-L352 PolarHBondContact O-N 2.91Å; L348-M536 HydrophobicContact CD2-CG 4.31Å; L348-M536 HydrophobicContact CD2-SD 3.9Å; L348-L544 HydrophobicContact CD2-CD2 4.25Å; L348-W548 HydrophobicContact CD2-CZ2 3.94Å; L348-W548 HydrophobicContact CG-CZ2 4.31Å |
| 349 | Y | 95.3 | Very high | 91.9 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 0% | 0.004 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.7 | -44.2 | -179.9 | -164.2 | -91.5 | 0 | 0 | 0 | 112.5 | F148 L186 V191 F201 S203 F204 L271 I274 A345 K346 A347 L352 F353 | F148-Y349 VanDerWaalsContact C-OH 3.31Å; F148-Y349 WeakPolarHBondContact CA-OH 3.17Å; F148-Y349 WeakPolarHBondContact O-CE1 3.39Å; F148-Y349 PolarHBondContact O-OH 3.4Å; L186-Y349 HydrophobicContact CD2-CD1 3.9Å; L186-Y349 HydrophobicContact CD2-CE1 4.08Å; V191-Y349 HydrophobicContact CG2-CD1 3.74Å; V191-Y349 HydrophobicContact CG2-CD2 4.33Å; V191-Y349 HydrophobicContact CG2-CE1 4.49Å; V191-Y349 HydrophobicContact CG2-CG 3.66Å; F201-Y349 WeakPolarHBondContact CB-OH 3.35Å; F201-Y349 HydrophobicContact CD1-CE1 4.34Å; F201-Y349 HydrophobicContact CD2-CD1 4.1Å; F201-Y349 AromaticContact CD2-CE1 3.36Å; F201-Y349 HydrophobicContact CD2-CE1 3.36Å; F201-Y349 HydrophobicContact CD2-CE2 4.26Å; F201-Y349 AromaticContact CD2-CZ 3.47Å; F201-Y349 VanDerWaalsContact CD2-CZ 3.47Å; F201-Y349 HydrophobicContact CE1-CE1 4.43Å; F201-Y349 AromaticContact CE2-CD1 3.96Å; F201-Y349 HydrophobicContact CE2-CD1 3.96Å; F201-Y349 AromaticContact CE2-CE1 3.48Å; F201-Y349 HydrophobicContact CE2-CE1 3.48Å; F201-Y349 VanDerWaalsContact CE2-CE1 3.48Å; F201-Y349 AromaticContact CG-CE1 3.83Å; F201-Y349 HydrophobicContact CG-CE1 3.83Å; F201-Y349 AromaticContact CG-CZ 3.67Å; F201-Y349 VanDerWaalsContact CG-OH 3.23Å; F201-Y349 WeakPolarHBondContact CG-OH 3.47Å; F201-Y349 HydrophobicContact CZ-CE1 4.04Å; S203-Y349 PolarHBondContact OG-OH 2.93Å; S203-Y349 VanDerWaalsContact OG-OH 3.06Å; F204-Y349 HydrophobicContact CE1-CE2 4.45Å; F204-Y349 HydrophobicContact CE2-CD2 4.01Å; F204-Y349 AromaticContact CE2-CE2 3.64Å; F204-Y349 HydrophobicContact CE2-CE2 3.64Å; F204-Y349 AromaticContact CZ-CD2 3.59Å; F204-Y349 HydrophobicContact CZ-CD2 3.59Å; F204-Y349 AromaticContact CZ-CE2 3.58Å; F204-Y349 HydrophobicContact CZ-CE2 3.58Å; L271-Y349 HydrophobicContact CD2-CD2 4.06Å; L271-Y349 HydrophobicContact CD2-CE2 3.69Å; I274-Y349 HydrophobicContact CD1-CD2 3.97Å; I274-Y349 HydrophobicContact CD1-CG 4.49Å; A345-Y349 PolarHBondContact O-N 3.01Å; A345-Y349 VanDerWaalsContact O-N 3.15Å; K346-Y349 PolarHBondContact O-N 3.37Å; A347-Y349 VanDerWaalsContact C-N 3.34Å; A347-Y349 PolarHBondContact O-N 2.84Å; Y349-L352 PolarHBondContact O-N 2.76Å; Y349-F353 WeakPolarHBondContact O-CB 3.37Å; Y349-F353 PolarHBondContact O-N 3.4Å |
| 350 | E | 91.3 | Very high | 92.2 | Very high | 76 Ų | 76 | 23 Ų | 23 | 36% | 0.355 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -59.8 | -46.8 | 177.1 | 178.5 | 179.1 | -160.7 | 0 | 0 | 111.8 | K188 K346 A347 F353 G354 | K188-E350 HydrophobicContact CD-CB 4.44Å; K188-E350 VanDerWaalsContact CD-OE2 3.27Å; K188-E350 WeakPolarHBondContact CD-OE2 3.45Å; K188-E350 IonicContact NZ-OE1 3.29Å; K188-E350 IonicContact NZ-OE2 2.84Å; K188-E350 PolarHBondContact NZ-OE2 3.44Å; K346-E350 WeakPolarHBondContact O-CB 3.08Å; K346-E350 PolarHBondContact O-N 3.07Å; A347-E350 PolarHBondContact O-N 3.07Å; E350-F353 PolarHBondContact O-N 3.08Å; E350-G354 PolarHBondContact O-N 3.02Å |
| 351 | R | 92.1 | Very high | 92.3 | Very high | 82 Ų | 82 | 23.7 Ų | 23.7 | 31% | 0.309 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -67.8 | -38 | 178.3 | -66.6 | -71.7 | -177.9 | 143.8 | -0.1 | 111.8 | A347 G354 W355 M547 W548 D550 | A347-R351 WeakPolarHBondContact O-CB 3.25Å; A347-R351 WeakPolarHBondContact O-CG 3.34Å; A347-R351 PolarHBondContact O-N 2.75Å; R351-G354 PolarHBondContact O-N 2.91Å; R351-W355 VanDerWaalsContact O-CB 3.32Å; R351-W355 WeakPolarHBondContact O-CB 3.36Å; R351-W355 PolarHBondContact O-N 3.25Å; R351-M547 HydrophobicContact CB-CB 4.2Å; R351-M547 HydrophobicContact CB-CG 4.46Å; R351-M547 HydrophobicContact CB-SD 4.36Å; R351-M547 PolarHBondContact NH1-O 3.23Å; R351-W548 HydrophobicContact CG-CH2 4.31Å; R351-W548 HydrophobicContact CG-CZ2 4.24Å; R351-D550 IonicContact CZ-OD2 2.68Å; R351-D550 IonicContact NH1-OD2 2.65Å; R351-D550 PolarHBondContact NH1-OD2 3.32Å; R351-D550 IonicContact NH2-OD2 3.7Å; R351-D550 PolarHBondContact NH2-OD2 2.88Å |
| 352 | L | 95.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.8 | -48.2 | 173 | 175.1 | 63.3 | 0 | 0 | 0 | 111.1 | F148 I267 I270 L271 L348 Y349 W355 I356 M547 | F148-L352 HydrophobicContact CD1-CD2 4.49Å; F148-L352 HydrophobicContact CE1-CD2 4.09Å; I267-L352 HydrophobicContact CB-CD1 4.41Å; I267-L352 HydrophobicContact CG1-CD1 4.13Å; I267-L352 HydrophobicContact CG2-CD1 4.26Å; I267-L352 HydrophobicContact CG2-CD2 4.46Å; I270-L352 HydrophobicContact CB-CD2 4.29Å; I270-L352 HydrophobicContact CD1-CD1 4.05Å; I270-L352 HydrophobicContact CG2-CB 4.4Å; I270-L352 HydrophobicContact CG2-CD2 3.94Å; L271-L352 HydrophobicContact CD2-CD2 3.96Å; L271-L352 HydrophobicContact CG-CD2 4.15Å; L348-L352 VanDerWaalsContact O-CB 3.22Å; L348-L352 WeakPolarHBondContact O-CB 3.37Å; L348-L352 PolarHBondContact O-N 2.91Å; Y349-L352 PolarHBondContact O-N 2.76Å; L352-W355 PolarHBondContact O-N 2.83Å; L352-I356 HydrophobicContact CD1-CD1 4.19Å; L352-I356 HydrophobicContact CD1-CG1 4.43Å; L352-I356 HydrophobicContact CG-CD1 4.14Å; L352-I356 WeakPolarHBondContact O-CG1 2.98Å; L352-I356 PolarHBondContact O-N 3.37Å; L352-M547 HydrophobicContact CB-SD 4.34Å; L352-M547 HydrophobicContact CD1-CE 3.88Å |
| 353 | F | 94.5 | Very high | 92 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.2 | -45.6 | 178 | -176.6 | -109.9 | 0 | 0 | 0 | 111.7 | L145 F148 F162 N183 L186 Y349 E350 W355 I356 V357 | L145-F353 HydrophobicContact CD2-CE2 3.93Å; L145-F353 HydrophobicContact CD2-CZ 4.15Å; F148-F353 HydrophobicContact CB-CD2 3.73Å; F148-F353 HydrophobicContact CB-CE2 4.1Å; F162-F353 HydrophobicContact CB-CE1 4.37Å; F162-F353 AromaticContact CD1-CZ 3.98Å; F162-F353 HydrophobicContact CD1-CZ 3.98Å; F162-F353 AromaticContact CD2-CE1 3.9Å; F162-F353 HydrophobicContact CD2-CE1 3.9Å; F162-F353 AromaticContact CD2-CZ 3.61Å; F162-F353 HydrophobicContact CD2-CZ 3.61Å; F162-F353 HydrophobicContact CE1-CZ 4.08Å; F162-F353 HydrophobicContact CE2-CE1 4.38Å; F162-F353 AromaticContact CE2-CZ 3.7Å; F162-F353 HydrophobicContact CE2-CZ 3.7Å; F162-F353 HydrophobicContact CG-CE1 4.05Å; F162-F353 AromaticContact CG-CZ 3.77Å; F162-F353 HydrophobicContact CG-CZ 3.77Å; F162-F353 AromaticContact CZ-CZ 3.96Å; F162-F353 HydrophobicContact CZ-CZ 3.96Å; N183-F353 HydrophobicContact CB-CE1 3.94Å; L186-F353 HydrophobicContact CB-CD1 4.4Å; L186-F353 HydrophobicContact CD1-CD1 4.1Å; L186-F353 HydrophobicContact CD1-CE1 4.14Å; L186-F353 HydrophobicContact CD1-CG 4.42Å; L186-F353 HydrophobicContact CD2-CB 3.86Å; L186-F353 HydrophobicContact CD2-CD1 3.86Å; L186-F353 HydrophobicContact CD2-CG 3.98Å; L186-F353 HydrophobicContact CG-CD1 4.35Å; Y349-F353 WeakPolarHBondContact O-CB 3.37Å; Y349-F353 PolarHBondContact O-N 3.4Å; E350-F353 PolarHBondContact O-N 3.08Å; F353-W355 VanDerWaalsContact C-N 3.34Å; F353-W355 PolarHBondContact O-N 3.49Å; F353-I356 PolarHBondContact O-N 3.27Å; F353-V357 HydrophobicContact CE1-CG2 4.31Å; F353-V357 HydrophobicContact CZ-CG2 4.34Å; F353-V357 WeakPolarHBondContact O-CG2 3.41Å; F353-V357 PolarHBondContact O-N 3.31Å |
| 354 | G | 92.4 | Very high | 91.7 | Very high | 25 Ų | 25 | 24.8 Ų | 24.8 | 26% | 0.258 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -60.3 | -40.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | E350 R351 V357 S358 | E350-G354 PolarHBondContact O-N 3.02Å; R351-G354 PolarHBondContact O-N 2.91Å; G354-V357 PolarHBondContact O-N 3.5Å; G354-S358 WeakPolarHBondContact O-CB 3.43Å; G354-S358 PolarHBondContact O-N 3.35Å |
| 355 | W | 94.1 | Very high | 91.2 | Very high | 14 Ų | 14 | 30.8 Ų | 30.8 | 5% | 0.053 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.6 | -41.9 | 176.1 | -180 | 89.2 | 0 | 0 | 0 | 112.1 | F259 E263 I267 R351 L352 F353 V357 S358 R359 V543 E546 M547 | F259-W355 HydrophobicContact CD1-CH2 4.32Å; F259-W355 HydrophobicContact CD1-CZ3 4.34Å; F259-W355 HydrophobicContact CE1-CH2 4.05Å; F259-W355 AromaticContact CE1-CZ3 3.78Å; F259-W355 HydrophobicContact CE1-CZ3 3.78Å; E263-W355 HydrophobicContact CB-CH2 4.07Å; E263-W355 HydrophobicContact CG-CH2 4.05Å; E263-W355 HydrophobicContact CG-CZ2 4.46Å; I267-W355 HydrophobicContact CD1-CZ3 4.03Å; I267-W355 HydrophobicContact CG1-CZ3 3.98Å; R351-W355 VanDerWaalsContact O-CB 3.32Å; R351-W355 WeakPolarHBondContact O-CB 3.36Å; R351-W355 PolarHBondContact O-N 3.25Å; L352-W355 PolarHBondContact O-N 2.83Å; F353-W355 VanDerWaalsContact C-N 3.34Å; F353-W355 PolarHBondContact O-N 3.49Å; W355-V357 VanDerWaalsContact C-N 3.31Å; W355-V357 PolarHBondContact O-N 2.96Å; W355-S358 PolarHBondContact O-N 3.41Å; W355-R359 HydrophobicContact CH2-CG 4.33Å; W355-R359 HydrophobicContact CZ2-CG 4.42Å; W355-R359 WeakPolarHBondContact O-CB 3.5Å; W355-R359 PolarHBondContact O-N 2.89Å; W355-V543 HydrophobicContact CD2-CG1 3.94Å; W355-V543 HydrophobicContact CE3-CG1 4.04Å; W355-V543 HydrophobicContact CH2-CG1 3.82Å; W355-V543 HydrophobicContact CH2-CG2 4.21Å; W355-V543 HydrophobicContact CZ2-CB 4.35Å; W355-V543 HydrophobicContact CZ2-CG1 3.68Å; W355-V543 HydrophobicContact CZ2-CG2 3.96Å; W355-V543 HydrophobicContact CZ3-CG1 3.98Å; W355-E546 PolarHBondContact NE1-OE2 3.12Å; W355-M547 HydrophobicContact CB-CE 4.06Å; W355-M547 HydrophobicContact CB-CG 3.78Å; W355-M547 HydrophobicContact CB-SD 4.32Å; W355-M547 HydrophobicContact CD2-CE 4.05Å; W355-M547 HydrophobicContact CE3-CE 4.24Å; W355-M547 HydrophobicContact CG-CE 3.95Å; W355-M547 HydrophobicContact CG-CG 4Å |
| 356 | I | 94.4 | Very high | 90 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.8 | -45.8 | 174 | -70.6 | 167.6 | 0 | 0 | 0 | 110.4 | V144 F148 F259 I267 L352 F353 R359 I360 | V144-I356 HydrophobicContact CG1-CG2 3.87Å; F148-I356 HydrophobicContact CD1-CD1 3.8Å; F148-I356 HydrophobicContact CD2-CD1 4.14Å; F148-I356 HydrophobicContact CE1-CD1 3.78Å; F148-I356 HydrophobicContact CE2-CD1 4.15Å; F148-I356 HydrophobicContact CG-CD1 3.99Å; F148-I356 HydrophobicContact CZ-CD1 3.99Å; F259-I356 HydrophobicContact CZ-CG2 4.27Å; I267-I356 HydrophobicContact CD1-CD1 4.38Å; I267-I356 HydrophobicContact CD1-CG1 4.22Å; I267-I356 HydrophobicContact CG2-CD1 4.34Å; L352-I356 HydrophobicContact CD1-CD1 4.19Å; L352-I356 HydrophobicContact CD1-CG1 4.43Å; L352-I356 HydrophobicContact CG-CD1 4.14Å; L352-I356 WeakPolarHBondContact O-CG1 2.98Å; L352-I356 PolarHBondContact O-N 3.37Å; F353-I356 PolarHBondContact O-N 3.27Å; I356-R359 PolarHBondContact O-N 2.83Å; I356-I360 HydrophobicContact CG2-CD1 3.82Å; I356-I360 WeakPolarHBondContact O-CB 3.41Å; I356-I360 WeakPolarHBondContact O-CD1 3.36Å; I356-I360 WeakPolarHBondContact O-CG1 3.44Å; I356-I360 PolarHBondContact O-N 3.48Å |
| 357 | V | 92.5 | Very high | 88.8 | Confident | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.018 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62 | -46.4 | 176.8 | 175 | 0 | 0 | 0 | 0 | 111.1 | L145 I181 N183 F353 G354 W355 R359 I360 N361 | L145-V357 HydrophobicContact CD2-CG2 3.62Å; I181-V357 HydrophobicContact CB-CG1 4.3Å; I181-V357 HydrophobicContact CG2-CG1 4.32Å; I181-V357 WeakPolarHBondContact O-CG1 3.33Å; N183-V357 HydrophobicContact CB-CG2 4.25Å; F353-V357 HydrophobicContact CE1-CG2 4.31Å; F353-V357 HydrophobicContact CZ-CG2 4.34Å; F353-V357 WeakPolarHBondContact O-CG2 3.41Å; F353-V357 PolarHBondContact O-N 3.31Å; G354-V357 PolarHBondContact O-N 3.5Å; W355-V357 VanDerWaalsContact C-N 3.31Å; W355-V357 PolarHBondContact O-N 2.96Å; V357-R359 PolarHBondContact O-N 3.35Å; V357-I360 PolarHBondContact O-N 2.76Å; V357-N361 VanDerWaalsContact O-CG 3.32Å; V357-N361 PolarHBondContact O-N 2.89Å |
| 358 | S | 91.9 | Very high | 87.5 | Confident | 68 Ų | 68 | 45.5 Ų | 45.5 | 48% | 0.476 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.4 | -42.3 | 177.9 | -175.7 | 0 | 0 | 0 | 0 | 112.2 | G354 W355 N361 S362 | G354-S358 WeakPolarHBondContact O-CB 3.43Å; G354-S358 PolarHBondContact O-N 3.35Å; W355-S358 PolarHBondContact O-N 3.41Å; S358-N361 WeakPolarHBondContact O-CB 3.1Å; S358-N361 PolarHBondContact O-N 3.15Å; S358-S362 PolarHBondContact O-N 3.04Å |
| 359 | R | 92.1 | Very high | 86 | Confident | 66 Ų | 66 | 49 Ų | 49 | 25% | 0.249 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.1 | -44 | 177.2 | -171.9 | 62.8 | 176.6 | 110.6 | 7.1 | 111.5 | F259 E263 W355 I356 V357 N361 S362 I363 | F259-R359 HydrophobicContact CD1-CG 4.11Å; F259-R359 HydrophobicContact CE1-CB 3.9Å; F259-R359 HydrophobicContact CE1-CG 3.54Å; F259-R359 HydrophobicContact CE2-CG 4.49Å; F259-R359 HydrophobicContact CZ-CB 3.89Å; F259-R359 HydrophobicContact CZ-CG 3.76Å; E263-R359 IonicContact OE1-CZ 3.96Å; E263-R359 IonicContact OE1-NE 2.73Å; E263-R359 PolarHBondContact OE1-NE 2.78Å; E263-R359 IonicContact OE1-NH2 3.6Å; E263-R359 PolarHBondContact OE1-NH2 3.38Å; E263-R359 IonicContact OE2-NE 3.45Å; E263-R359 IonicContact OE2-NH2 2.88Å; E263-R359 PolarHBondContact OE2-NH2 3.45Å; W355-R359 HydrophobicContact CH2-CG 4.33Å; W355-R359 HydrophobicContact CZ2-CG 4.42Å; W355-R359 WeakPolarHBondContact O-CB 3.5Å; W355-R359 PolarHBondContact O-N 2.89Å; I356-R359 PolarHBondContact O-N 2.83Å; V357-R359 PolarHBondContact O-N 3.35Å; R359-N361 VanDerWaalsContact C-N 3.32Å; R359-N361 PolarHBondContact O-N 2.91Å; R359-S362 PolarHBondContact NH1-OG 2.76Å; R359-S362 VanDerWaalsContact NH1-OG 3.12Å; R359-S362 PolarHBondContact O-N 2.96Å; R359-S362 PolarHBondContact O-OG 3.01Å; R359-I363 WeakPolarHBondContact O-CG1 3.43Å; R359-I363 PolarHBondContact O-N 3.33Å |
| 360 | I | 91.6 | Very high | 84.5 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.5 | -46.6 | 172.4 | -69.4 | 165.4 | 0 | 0 | 0 | 110.2 | L145 I181 I257 F259 I356 V357 S362 I363 I364 | L145-I360 HydrophobicContact CD2-CD1 4.33Å; L145-I360 HydrophobicContact CG-CD1 4.44Å; I181-I360 HydrophobicContact CD1-CG2 3.86Å; I257-I360 HydrophobicContact CG2-CG1 4.2Å; F259-I360 HydrophobicContact CE2-CG1 3.95Å; F259-I360 HydrophobicContact CZ-CG1 4.07Å; I356-I360 HydrophobicContact CG2-CD1 3.82Å; I356-I360 WeakPolarHBondContact O-CB 3.41Å; I356-I360 WeakPolarHBondContact O-CD1 3.36Å; I356-I360 WeakPolarHBondContact O-CG1 3.44Å; I356-I360 PolarHBondContact O-N 3.48Å; V357-I360 PolarHBondContact O-N 2.76Å; I360-S362 PolarHBondContact O-N 3.02Å; I360-I363 PolarHBondContact O-N 3.48Å; I360-I363 VanDerWaalsContact O-N 3.15Å; I360-I364 HydrophobicContact CG2-CD1 3.4Å; I360-I364 HydrophobicContact CG2-CG1 4.22Å; I360-I364 VanDerWaalsContact O-CG1 3.3Å; I360-I364 WeakPolarHBondContact O-CG1 3.36Å; I360-I364 PolarHBondContact O-N 3.39Å; I360-I364 VanDerWaalsContact O-N 3.08Å |
| 361 | N | 90.6 | Very high | 83.2 | Confident | 16 Ų | 16 | 52.3 Ų | 52.3 | 9% | 0.086 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.4 | -42.7 | 177.9 | -71.3 | -19 | 0 | 0 | 0 | 112.3 | H180 I181 V357 S358 R359 I363 I364 E365 | H180-N361 PolarHBondContact NE2-ND2 3.45Å; I181-N361 WeakPolarHBondContact CB-OD1 3.28Å; I181-N361 PolarHBondContact N-OD1 2.87Å; I181-N361 PolarHBondContact O-ND2 3.02Å; V357-N361 VanDerWaalsContact O-CG 3.32Å; V357-N361 PolarHBondContact O-N 2.89Å; S358-N361 WeakPolarHBondContact O-CB 3.1Å; S358-N361 PolarHBondContact O-N 3.15Å; R359-N361 VanDerWaalsContact C-N 3.32Å; R359-N361 PolarHBondContact O-N 2.91Å; N361-I363 PolarHBondContact O-N 3.1Å; N361-I363 VanDerWaalsContact O-N 3.1Å; N361-I364 PolarHBondContact O-N 2.83Å; N361-I364 VanDerWaalsContact O-N 3.15Å; N361-E365 VanDerWaalsContact O-CB 3.29Å; N361-E365 WeakPolarHBondContact O-CB 3.42Å; N361-E365 PolarHBondContact O-N 2.91Å |
| 362 | S | 88.6 | Confident | 81.9 | Confident | 46 Ų | 46 | 54.8 Ų | 54.8 | 32% | 0.322 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.8 | -23.6 | 178.1 | 78 | 0 | 0 | 0 | 0 | 114.1 | S358 R359 I360 | S358-S362 PolarHBondContact O-N 3.04Å; R359-S362 PolarHBondContact NH1-OG 2.76Å; R359-S362 VanDerWaalsContact NH1-OG 3.12Å; R359-S362 PolarHBondContact O-N 2.96Å; R359-S362 PolarHBondContact O-OG 3.01Å; I360-S362 PolarHBondContact O-N 3.02Å |
| 363 | I | 85.6 | Confident | 80.1 | Confident | 53 Ų | 53 | 61.1 Ų | 61.1 | 27% | 0.272 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -90.2 | -37.4 | 179.1 | -62.3 | 166.3 | 0 | 0 | 0 | 111 | I257 R359 I360 N361 | I257-I363 HydrophobicContact CG2-CD1 3.92Å; I257-I363 WeakPolarHBondContact O-CD1 3.36Å; I257-I363 WeakPolarHBondContact O-CG2 3.48Å; R359-I363 WeakPolarHBondContact O-CG1 3.43Å; R359-I363 PolarHBondContact O-N 3.33Å; I360-I363 PolarHBondContact O-N 3.48Å; I360-I363 VanDerWaalsContact O-N 3.15Å; N361-I363 PolarHBondContact O-N 3.1Å; N361-I363 VanDerWaalsContact O-N 3.1Å |
| 364 | I | 82.9 | Confident | 78.5 | Confident | 5 Ų | 5 | 65.5 Ų | 65.5 | 3% | 0.026 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -80 | -23.8 | -178.7 | -59.7 | 172.8 | 0 | 0 | 0 | 111.7 | V137 L138 G178 G179 I181 I360 N361 | V137-I364 HydrophobicContact CB-CG1 4.32Å; V137-I364 HydrophobicContact CG1-CD1 3.77Å; V137-I364 HydrophobicContact CG1-CG1 3.4Å; L138-I364 HydrophobicContact CD2-CD1 3.83Å; L138-I364 HydrophobicContact CD2-CG2 4.34Å; L138-I364 HydrophobicContact CG-CD1 4.35Å; G178-I364 VanDerWaalsContact CA-O 3.24Å; G178-I364 WeakPolarHBondContact CA-O 3.21Å; G179-I364 VanDerWaalsContact N-CG2 3.31Å; G179-I364 WeakPolarHBondContact O-CG2 3.36Å; I181-I364 HydrophobicContact CD1-CD1 4.37Å; I360-I364 HydrophobicContact CG2-CD1 3.4Å; I360-I364 HydrophobicContact CG2-CG1 4.22Å; I360-I364 VanDerWaalsContact O-CG1 3.3Å; I360-I364 WeakPolarHBondContact O-CG1 3.36Å; I360-I364 PolarHBondContact O-N 3.39Å; I360-I364 VanDerWaalsContact O-N 3.08Å; N361-I364 PolarHBondContact O-N 2.83Å; N361-I364 VanDerWaalsContact O-N 3.15Å |
| 365 | E | 81 | Confident | 77.1 | Confident | 129 Ų | 129 | 65.9 Ų | 65.9 | 60% | 0.603 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -65 | 138.2 | -177.1 | -168.7 | 169.9 | -151.7 | 0 | 0 | 112.7 | N361 K367 | N361-E365 VanDerWaalsContact O-CB 3.29Å; N361-E365 WeakPolarHBondContact O-CB 3.42Å; N361-E365 PolarHBondContact O-N 2.91Å; E365-K367 PolarHBondContact O-N 2.93Å; E365-K367 VanDerWaalsContact O-N 3.12Å |
| 366 | V | 69.8 | Low | 75.6 | Confident | 43 Ų | 43 | 73.8 Ų | 73.8 | 26% | 0.261 | 39% | 0.386 | S | S | . | . | trans | -73.9 | 105 | -177.2 | -172.4 | 0 | 0 | 0 | 0 | 109.8 | T177 N368 | T177-V366 WeakPolarHBondContact O-CG2 3.3Å; V366-N368 PolarHBondContact O-N 3.07Å | ||
| 367 | K | 64.6 | Low | 74.5 | Confident | 171 Ų | 171 | 75.6 Ų | 75.6 | 74% | 0.743 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | 130.1 | 173.6 | -62.7 | -177 | -178.8 | 179.4 | 0 | 109.8 | E365 | E365-K367 PolarHBondContact O-N 2.93Å; E365-K367 VanDerWaalsContact O-N 3.12Å |
| 368 | N | 62.6 | Low | 74.2 | Confident | 154 Ų | 154 | 76 Ų | 76 | 82% | 0.824 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.8 | 36.9 | 176 | -50.3 | -41.9 | 0 | 0 | 0 | 116.2 | V366 N370 | V366-N368 PolarHBondContact O-N 3.07Å; N368-N370 PolarHBondContact O-N 3.34Å; N368-N370 VanDerWaalsContact O-N 3.09Å |
| 369 | Y | 62.6 | Low | 74.1 | Confident | 76 Ų | 76 | 73.7 Ų | 73.7 | 30% | 0.298 | 38% | 0.381 | S | S | . | . | trans | -65 | 111.4 | 172.2 | 179.4 | -105.7 | 0 | 0 | 0 | 111.6 | P371 H374 G375 N377 | Y369-P371 HydrophobicContact CD1-CG 4.2Å; Y369-P371 HydrophobicContact CE1-CB 4.2Å; Y369-P371 HydrophobicContact CE1-CG 3.78Å; Y369-H374 HydrophobicContact CD2-CB 4.18Å; Y369-H374 HydrophobicContact CE2-CB 3.79Å; Y369-G375 PolarHBondContact OH-O 2.97Å; Y369-N377 WeakPolarHBondContact CD2-ND2 3.4Å; Y369-N377 HydrophobicContact CE2-CB 4.35Å; Y369-N377 WeakPolarHBondContact CE2-ND2 3.42Å; Y369-N377 WeakPolarHBondContact CE2-OD1 3.03Å; Y369-N377 VanDerWaalsContact CZ-ND2 3.25Å; Y369-N377 VanDerWaalsContact OH-CG 3.28Å; Y369-N377 PolarHBondContact OH-N 3.48Å; Y369-N377 PolarHBondContact OH-OD1 3.1Å | ||
| 370 | N | 63.6 | Low | 74.1 | Confident | 64 Ų | 64 | 70.5 Ų | 70.5 | 34% | 0.342 | 37% | 0.369 | S | S | . | . | trans | -103.7 | 109 | 170.5 | -172.6 | -22.1 | 0 | 0 | 0 | 111 | N368 V372 L373 H374 | N368-N370 PolarHBondContact O-N 3.34Å; N368-N370 VanDerWaalsContact O-N 3.09Å; N370-V372 PolarHBondContact O-N 3.42Å; N370-V372 VanDerWaalsContact O-N 3.1Å; N370-V372 WeakPolarHBondContact OD1-CB 3.49Å; N370-V372 PolarHBondContact OD1-N 2.82Å; N370-L373 HydrophobicContact CB-CB 4.17Å; N370-L373 HydrophobicContact CB-CD1 4.06Å; N370-L373 HydrophobicContact CB-CG 4.39Å; N370-L373 PolarHBondContact O-N 3.37Å; N370-L373 VanDerWaalsContact O-N 3.07Å; N370-H374 PolarHBondContact N-CD2 3.05Å; N370-H374 PolarHBondContact O-CD2 3.46Å; N370-H374 PolarHBondContact O-N 3.49Å | ||
| 371 | P | 64.4 | Low | 74.1 | Confident | 82 Ų | 82 | 70.5 Ų | 70.5 | 53% | 0.532 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -56.5 | -28.4 | -179.9 | -20.7 | 28.4 | 0 | 0 | 0 | 113.9 | Y369 G375 | Y369-P371 HydrophobicContact CD1-CG 4.2Å; Y369-P371 HydrophobicContact CE1-CB 4.2Å; Y369-P371 HydrophobicContact CE1-CG 3.78Å; P371-G375 PolarHBondContact O-N 3.41Å |
| 372 | V | 64.1 | Low | 74.1 | Confident | 135 Ų | 135 | 69.8 Ų | 69.8 | 82% | 0.818 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -74.6 | -35.1 | -179.4 | -175.1 | 0 | 0 | 0 | 0 | 111.6 | N370 | N370-V372 PolarHBondContact O-N 3.42Å; N370-V372 VanDerWaalsContact O-N 3.1Å; N370-V372 WeakPolarHBondContact OD1-CB 3.49Å; N370-V372 PolarHBondContact OD1-N 2.82Å |
| 373 | L | 58.6 | Low | 74.2 | Confident | 133 Ų | 133 | 67.6 Ų | 67.6 | 70% | 0.696 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -89 | -31.5 | -179.5 | -71.6 | 167.3 | 0 | 0 | 0 | 112.8 | N370 | N370-L373 HydrophobicContact CB-CB 4.17Å; N370-L373 HydrophobicContact CB-CD1 4.06Å; N370-L373 HydrophobicContact CB-CG 4.39Å; N370-L373 PolarHBondContact O-N 3.37Å; N370-L373 VanDerWaalsContact O-N 3.07Å |
| 374 | H | 61.3 | Low | 74.3 | Confident | 92 Ų | 92 | 65.6 Ų | 65.6 | 43% | 0.426 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -108.2 | -4.4 | -168.6 | -58.8 | -66.6 | 0 | 0 | 0 | 114.8 | Y369 N370 | Y369-H374 HydrophobicContact CD2-CB 4.18Å; Y369-H374 HydrophobicContact CE2-CB 3.79Å; N370-H374 PolarHBondContact N-CD2 3.05Å; N370-H374 PolarHBondContact O-CD2 3.46Å; N370-H374 PolarHBondContact O-N 3.49Å |
| 375 | G | 61.3 | Low | 74.1 | Confident | 32 Ų | 32 | 65.5 Ų | 65.5 | 33% | 0.33 | 34% | 0.34 | S | S | . | . | trans | 76.4 | -178.9 | -178 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y369 P371 N377 | Y369-G375 PolarHBondContact OH-O 2.97Å; P371-G375 PolarHBondContact O-N 3.41Å; G375-N377 PolarHBondContact O-N 3.1Å | ||
| 376 | K | 63.5 | Low | 73.7 | Confident | 181 Ų | 181 | 60 Ų | 60 | 79% | 0.787 | 31% | 0.313 | S | S | * | . | trans | -66.8 | 123 | 175.7 | -91.7 | -173.2 | 173.9 | -174.5 | 0 | 109.6 | ||||
| 377 | N | 72.3 | Confident | 73.9 | Confident | 38 Ų | 38 | 58.2 Ų | 58.2 | 20% | 0.203 | 30% | 0.303 | C | S | . | . | trans | -69.2 | 132.6 | 163.6 | -82.2 | -6.7 | 0 | 0 | 0 | 108.8 | F170 Y369 G375 | F170-N377 WeakPolarHBondContact O-CA 3.47Å; F170-N377 PolarHBondContact O-OD1 3.47Å; Y369-N377 WeakPolarHBondContact CD2-ND2 3.4Å; Y369-N377 HydrophobicContact CE2-CB 4.35Å; Y369-N377 WeakPolarHBondContact CE2-ND2 3.42Å; Y369-N377 WeakPolarHBondContact CE2-OD1 3.03Å; Y369-N377 VanDerWaalsContact CZ-ND2 3.25Å; Y369-N377 VanDerWaalsContact OH-CG 3.28Å; Y369-N377 PolarHBondContact OH-N 3.48Å; Y369-N377 PolarHBondContact OH-OD1 3.1Å; G375-N377 PolarHBondContact O-N 3.1Å | ||
| 378 | T | 86.3 | Confident | 74.5 | Confident | 12 Ų | 12 | 50.3 Ų | 50.3 | 7% | 0.074 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 154.5 | 168.2 | 48 | 0 | 0 | 0 | 0 | 109.5 | M89 D95 F170 | M89-T378 HydrophobicContact CG-CG2 4.41Å; M89-T378 WeakPolarHBondContact CG-OG1 3.47Å; M89-T378 PolarHBondContact SD-OG1 2.61Å; D95-T378 VanDerWaalsContact OD1-CA 3.29Å; D95-T378 WeakPolarHBondContact OD1-CA 3.31Å; F170-T378 PolarHBondContact N-O 3.04Å; F170-T378 PolarHBondContact O-N 3.5Å |
| 379 | V | 89.7 | Confident | 75.2 | Confident | 19 Ų | 19 | 43.4 Ų | 43.4 | 12% | 0.115 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 137.7 | -173.8 | -176.6 | 0 | 0 | 0 | 0 | 111 | D95 T96 D167 I168 N169 | D95-V379 WeakPolarHBondContact CA-O 3.28Å; D95-V379 PolarHBondContact OD1-N 3.38Å; T96-V379 PolarHBondContact N-O 3.36Å; D167-V379 HydrophobicContact CB-CG1 3.71Å; D167-V379 WeakPolarHBondContact OD1-CG1 3.33Å; I168-V379 WeakPolarHBondContact O-CA 3.35Å; N169-V379 WeakPolarHBondContact OD1-CG2 3.27Å |
| 380 | I | 91.8 | Very high | 75.9 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 111.1 | 160.2 | -53.2 | -176.9 | 0 | 0 | 0 | 107.7 | Y86 M89 T96 I98 I119 I168 F170 | Y86-I380 HydrophobicContact CD2-CD1 4.16Å; M89-I380 HydrophobicContact CB-CD1 4.46Å; M89-I380 HydrophobicContact CB-CG1 4.25Å; M89-I380 HydrophobicContact CE-CD1 3.9Å; M89-I380 HydrophobicContact CE-CG1 4.26Å; M89-I380 HydrophobicContact CG-CG1 4.1Å; T96-I380 CarbonylContact O-C 3.58Å; T96-I380 WeakPolarHBondContact O-CA 3.28Å; T96-I380 WeakPolarHBondContact OG1-CG1 3.43Å; I98-I380 HydrophobicContact CD1-CG2 4.43Å; I119-I380 HydrophobicContact CD1-CD1 4.39Å; I119-I380 HydrophobicContact CD1-CG2 4.14Å; I168-I380 PolarHBondContact N-O 3.19Å; I168-I380 PolarHBondContact O-N 3.19Å; F170-I380 HydrophobicContact CD2-CD1 4.25Å; F170-I380 HydrophobicContact CD2-CG1 3.92Å; F170-I380 HydrophobicContact CE2-CB 3.77Å; F170-I380 HydrophobicContact CE2-CD1 3.56Å; F170-I380 HydrophobicContact CE2-CG1 3.44Å; F170-I380 VanDerWaalsContact CE2-CG1 3.44Å; F170-I380 HydrophobicContact CZ-CD1 3.78Å; F170-I380 HydrophobicContact CZ-CG1 4.19Å |
| 381 | G | 91.4 | Very high | 76.5 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 138.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | T96 C97 I98 M166 | T96-G381 PolarHBondContact O-N 3.03Å; C97-G381 CarbonylContact C-O 3.59Å; C97-G381 WeakPolarHBondContact CA-O 3.31Å; I98-G381 PolarHBondContact N-O 3.34Å; M166-G381 CarbonylContact O-C 3.51Å; M166-G381 VanDerWaalsContact O-CA 3.26Å; M166-G381 WeakPolarHBondContact O-CA 3.19Å |
| 382 | V | 91.1 | Very high | 77 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 114.7 | 172 | -176.2 | 0 | 0 | 0 | 0 | 108.6 | I98 I100 I115 M116 Y165 M166 I168 | I98-V382 WeakPolarHBondContact O-CA 3.33Å; I100-V382 HydrophobicContact CD1-CG1 4.11Å; I115-V382 HydrophobicContact CG2-CG2 4.48Å; M116-V382 HydrophobicContact SD-CG2 4.07Å; Y165-V382 WeakPolarHBondContact CA-O 3.01Å; M166-V382 HydrophobicContact CE-CB 4.41Å; M166-V382 HydrophobicContact CE-CG1 4.5Å; M166-V382 PolarHBondContact N-O 3.05Å; M166-V382 PolarHBondContact O-N 2.72Å; I168-V382 HydrophobicContact CD1-CG2 4.45Å |
| 383 | L | 89.9 | Confident | 77.8 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 115.4 | 178.2 | -176.6 | 62.5 | 0 | 0 | 0 | 109.9 | I98 V99 I100 Y165 I385 L408 L576 L580 | I98-L383 PolarHBondContact O-N 2.85Å; V99-L383 HydrophobicContact CG1-CD2 4.1Å; V99-L383 HydrophobicContact CG2-CB 4.36Å; V99-L383 HydrophobicContact CG2-CD2 4.33Å; I100-L383 WeakPolarHBondContact CB-O 3.37Å; I100-L383 PolarHBondContact N-O 3.1Å; Y165-L383 HydrophobicContact CD2-CB 3.82Å; Y165-L383 HydrophobicContact CD2-CD1 3.98Å; Y165-L383 HydrophobicContact CD2-CG 4.46Å; Y165-L383 HydrophobicContact CE2-CB 4.36Å; Y165-L383 HydrophobicContact CG-CD1 4.37Å; L383-I385 HydrophobicContact CD1-CB 4.25Å; L383-I385 HydrophobicContact CD2-CG2 4.42Å; L383-I385 HydrophobicContact CG-CB 4.2Å; L383-I385 HydrophobicContact CG-CG2 4.35Å; L383-L408 HydrophobicContact CD2-CD1 4.19Å; L383-L408 HydrophobicContact CD2-CD2 4.36Å; L383-L576 HydrophobicContact CD1-CD1 4.42Å; L383-L576 HydrophobicContact CD1-CD2 4.2Å; L383-L576 HydrophobicContact CD2-CD2 4.4Å; L383-L580 HydrophobicContact CD2-CD1 3.98Å |
| 384 | D | 87.3 | Confident | 79 | Confident | 12 Ų | 12 | 37.9 Ų | 37.9 | 6% | 0.064 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 104.7 | 165.3 | -175.4 | 5.3 | 0 | 0 | 0 | 107.5 | K108 T109 K164 | K108-D384 WeakPolarHBondContact CB-OD1 3.2Å; T109-D384 WeakPolarHBondContact CA-OD2 3.41Å; T109-D384 PolarHBondContact OG1-OD2 2.8Å; K164-D384 PolarHBondContact N-O 3.3Å; K164-D384 PolarHBondContact O-N 3.36Å |
| 385 | I | 79.1 | Confident | 80.2 | Confident | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.015 | 18% | 0.182 | C | C | . | . | trans | -120.8 | 154.5 | -177 | -162.9 | 166.4 | 0 | 0 | 0 | 111.3 | K108 L383 G387 C404 L408 | K108-I385 WeakPolarHBondContact CD-O 3.21Å; K108-I385 WeakPolarHBondContact CE-O 3.38Å; L383-I385 HydrophobicContact CD1-CB 4.25Å; L383-I385 HydrophobicContact CD2-CG2 4.42Å; L383-I385 HydrophobicContact CG-CB 4.2Å; L383-I385 HydrophobicContact CG-CG2 4.35Å; I385-G387 PolarHBondContact O-N 3.06Å; I385-C404 WeakPolarHBondContact CD1-SG 3.33Å; I385-L408 HydrophobicContact CD1-CD1 3.64Å; I385-L408 HydrophobicContact CG2-CD1 3.97Å | ||
| 386 | Y | 73.1 | Confident | 81.3 | Confident | 13 Ų | 13 | 33.6 Ų | 33.6 | 5% | 0.051 | 17% | 0.17 | C | C | . | . | trans | -53.5 | 136.9 | 170.1 | 29.9 | -103.5 | 0 | 0 | 0 | 110.8 | L185 I401 C404 N405 F569 | L185-Y386 HydrophobicContact CB-CE1 4.06Å; L185-Y386 WeakPolarHBondContact CB-OH 3.34Å; Y386-I401 HydrophobicContact CD1-CG1 4.4Å; Y386-I401 HydrophobicContact CD2-CB 4.03Å; Y386-I401 HydrophobicContact CD2-CG1 3.78Å; Y386-I401 HydrophobicContact CD2-CG2 3.6Å; Y386-I401 HydrophobicContact CE2-CB 4.29Å; Y386-I401 HydrophobicContact CE2-CG1 3.94Å; Y386-I401 HydrophobicContact CE2-CG2 4.31Å; Y386-I401 HydrophobicContact CG-CD1 4.46Å; Y386-I401 HydrophobicContact CG-CG1 4.01Å; Y386-I401 HydrophobicContact CG-CG2 4.14Å; Y386-C404 HydrophobicContact CE2-CB 4.13Å; Y386-N405 PolarHBondContact O-ND2 2.9Å; Y386-N405 VanDerWaalsContact O-ND2 3.1Å; Y386-N405 PolarHBondContact O-OD1 3.24Å; Y386-F569 WeakPolarHBondContact OH-CE2 3.31Å | ||
| 387 | G | 73 | Confident | 82.1 | Confident | 5 Ų | 5 | 26 Ų | 26 | 5% | 0.052 | 14% | 0.137 | C | C | . | . | trans | -76.1 | 174.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | G102 I385 E389 I401 N405 | G102-G387 WeakPolarHBondContact O-CA 3.32Å; I385-G387 PolarHBondContact O-N 3.06Å; G387-E389 PolarHBondContact O-N 2.92Å; G387-I401 WeakPolarHBondContact O-CG2 3.07Å; G387-N405 PolarHBondContact O-ND2 3.33Å | ||
| 388 | F | 77.2 | Confident | 82.7 | Confident | 5 Ų | 5 | 24.7 Ų | 24.7 | 2% | 0.022 | 13% | 0.13 | C | C | . | . | trans | -56.7 | 128.8 | 169.9 | -156.5 | -86 | 0 | 0 | 0 | 110.2 | I390 N402 N405 H508 Y509 A510 V513 Y613 | F388-I390 HydrophobicContact CD1-CD1 4Å; F388-I390 HydrophobicContact CD1-CG1 3.69Å; F388-I390 HydrophobicContact CE1-CD1 3.72Å; F388-I390 HydrophobicContact CE1-CG1 3.57Å; F388-N402 HydrophobicContact CD2-CB 4.37Å; F388-N402 HydrophobicContact CE2-CB 3.81Å; F388-N402 HydrophobicContact CZ-CB 3.95Å; F388-N405 HydrophobicContact CD2-CB 3.93Å; F388-H508 HydrophobicContact CE2-CB 3.92Å; F388-H508 AromaticContact CE2-CG 3.98Å; F388-H508 HydrophobicContact CZ-CB 3.48Å; F388-H508 VanDerWaalsContact CZ-CB 3.48Å; F388-H508 AromaticContact CZ-CD2 3.89Å; F388-H508 AromaticContact CZ-CG 3.51Å; F388-H508 AromaticContact CZ-ND1 3.98Å; F388-Y509 AromaticContact CD2-CE1 3.89Å; F388-Y509 HydrophobicContact CD2-CE1 3.89Å; F388-Y509 HydrophobicContact CE2-CD1 4.42Å; F388-Y509 HydrophobicContact CE2-CE1 4.03Å; F388-A510 HydrophobicContact CD1-CB 3.59Å; F388-A510 HydrophobicContact CD2-CB 3.9Å; F388-A510 HydrophobicContact CE1-CB 3.39Å; F388-A510 HydrophobicContact CE2-CB 3.72Å; F388-A510 HydrophobicContact CG-CB 3.86Å; F388-A510 HydrophobicContact CZ-CB 3.48Å; F388-A510 VanDerWaalsContact CZ-CB 3.48Å; F388-V513 HydrophobicContact CE1-CG2 3.7Å; F388-V513 HydrophobicContact CZ-CG2 3.95Å; F388-Y613 HydrophobicContact CB-CD2 3.78Å; F388-Y613 HydrophobicContact CB-CE2 4.03Å; F388-Y613 HydrophobicContact CG-CD2 4.49Å | ||
| 389 | E | 77.1 | Confident | 82.9 | Confident | 10 Ų | 10 | 24.1 Ų | 24.1 | 5% | 0.047 | 13% | 0.127 | C | C | . | . | trans | -113.5 | 118.7 | -176.8 | -71.1 | -167 | 159 | 0 | 0 | 110.7 | R161 G387 F391 Q398 I401 N402 | R161-E389 IonicContact CZ-OE1 3.29Å; R161-E389 IonicContact NH1-OE1 2.73Å; R161-E389 PolarHBondContact NH1-OE1 3.23Å; R161-E389 IonicContact NH1-OE2 2.62Å; R161-E389 IonicContact NH2-OE1 2.66Å; R161-E389 IonicContact NH2-OE2 3.23Å; G387-E389 PolarHBondContact O-N 2.92Å; E389-F391 HydrophobicContact CB-CD2 4.46Å; E389-F391 HydrophobicContact CB-CE2 3.91Å; E389-F391 HydrophobicContact CB-CZ 4.12Å; E389-F391 HydrophobicContact CG-CE2 4.12Å; E389-F391 HydrophobicContact CG-CZ 4.02Å; E389-F391 WeakPolarHBondContact OE2-CE2 3.4Å; E389-Q398 HydrophobicContact CB-CG 4.16Å; E389-Q398 PolarHBondContact OE2-NE2 2.95Å; E389-Q398 VanDerWaalsContact OE2-NE2 3.1Å; E389-I401 HydrophobicContact CB-CG2 4.42Å; E389-I401 HydrophobicContact CG-CG2 4.14Å; E389-I401 WeakPolarHBondContact OE2-CD1 2.9Å; E389-N402 PolarHBondContact N-OD1 3.46Å; E389-N402 PolarHBondContact O-ND2 3.5Å; E389-N402 PolarHBondContact O-OD1 2.97Å | ||
| 390 | I | 77.2 | Confident | 82.8 | Confident | 46 Ų | 46 | 23.5 Ų | 23.5 | 24% | 0.236 | 12% | 0.123 | C | C | . | . | trans | -122.6 | 111.1 | 169.4 | -46.4 | -175.9 | 0 | 0 | 0 | 107.7 | R155 F388 V513 | R155-I390 PolarHBondContact NH1-O 3.28Å; R155-I390 PolarHBondContact NH2-O 2.88Å; F388-I390 HydrophobicContact CD1-CD1 4Å; F388-I390 HydrophobicContact CD1-CG1 3.69Å; F388-I390 HydrophobicContact CE1-CD1 3.72Å; F388-I390 HydrophobicContact CE1-CG1 3.57Å; I390-V513 HydrophobicContact CD1-CG2 3.99Å; I390-V513 HydrophobicContact CG1-CG2 3.92Å | ||
| 391 | F | 76.5 | Confident | 82.4 | Confident | 47 Ų | 47 | 23.8 Ų | 23.8 | 21% | 0.206 | 12% | 0.124 | C | C | . | . | trans | -115.8 | 170.2 | 174.8 | -57.9 | -52.6 | 0 | 0 | 0 | 110.9 | R155 E389 N393 N394 Q398 | R155-F391 VanDerWaalsContact CZ-CE1 3.46Å; E389-F391 HydrophobicContact CB-CD2 4.46Å; E389-F391 HydrophobicContact CB-CE2 3.91Å; E389-F391 HydrophobicContact CB-CZ 4.12Å; E389-F391 HydrophobicContact CG-CE2 4.12Å; E389-F391 HydrophobicContact CG-CZ 4.02Å; E389-F391 WeakPolarHBondContact OE2-CE2 3.4Å; F391-N393 PolarHBondContact O-N 3.32Å; F391-N394 PolarHBondContact N-OD1 2.54Å; F391-N394 PolarHBondContact O-ND2 3.04Å; F391-N394 PolarHBondContact O-OD1 3.08Å; F391-Q398 HydrophobicContact CD2-CG 3.68Å; F391-Q398 HydrophobicContact CE2-CG 3.89Å | ||
| 392 | D | 76.1 | Confident | 82.2 | Confident | 180 Ų | 180 | 23.8 Ų | 23.8 | 96% | 0.963 | 12% | 0.124 | S | C | * | . | S | Bend | trans | -65.6 | -31.4 | 174.7 | -57.9 | -37.3 | 0 | 0 | 0 | 111.6 | ||
| 393 | N | 79.3 | Confident | 82.1 | Confident | 96 Ų | 96 | 24 Ų | 24 | 51% | 0.513 | 13% | 0.125 | S | C | . | . | S | Bend | trans | -129.2 | 103.1 | 174.6 | -171.3 | 14.1 | 0 | 0 | 0 | 110.5 | F391 | F391-N393 PolarHBondContact O-N 3.32Š|
| 394 | N | 84.6 | Confident | 81.9 | Confident | 4 Ų | 4 | 24 Ų | 24 | 2% | 0.021 | 13% | 0.125 | C | C | . | . | B | Isolated β-bridge | trans | -97.9 | 128 | -179.5 | -53.2 | -75.3 | 0 | 0 | 0 | 110.7 | F391 Q398 V513 T514 Y515 S516 | F391-N394 PolarHBondContact N-OD1 2.54Å; F391-N394 PolarHBondContact O-ND2 3.04Å; F391-N394 PolarHBondContact O-OD1 3.08Å; N394-Q398 HydrophobicContact CB-CB 3.99Å; N394-Q398 HydrophobicContact CB-CG 4.29Å; N394-V513 HydrophobicContact CB-CG1 4.31Å; N394-T514 WeakPolarHBondContact CB-O 3.32Å; N394-T514 PolarHBondContact ND2-O 2.96Å; N394-Y515 HydrophobicContact CB-CD1 3.6Å; N394-Y515 HydrophobicContact CB-CE1 3.97Å; N394-Y515 HydrophobicContact CB-CG 4.4Å; N394-Y515 WeakPolarHBondContact O-CA 3.3Å; N394-S516 PolarHBondContact O-N 2.89Å |
| 395 | S | 86.1 | Confident | 81.8 | Confident | 19 Ų | 19 | 24 Ų | 24 | 13% | 0.133 | 13% | 0.125 | C | C | . | . | trans | -107.9 | -176 | -178.1 | 173 | 0 | 0 | 0 | 0 | 111.6 | E397 Q398 F399 K523 | S395-E397 WeakPolarHBondContact CB-OE2 3.43Å; S395-E397 PolarHBondContact O-N 2.86Å; S395-E397 PolarHBondContact OG-OE2 3.48Å; S395-Q398 PolarHBondContact O-N 3.36Å; S395-Q398 VanDerWaalsContact O-N 3.16Å; S395-F399 PolarHBondContact O-N 2.78Å; S395-K523 PolarHBondContact OG-NZ 3.24Å | ||
| 396 | F | 85.1 | Confident | 82.2 | Confident | 15 Ų | 15 | 23.9 Ų | 23.9 | 7% | 0.066 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -47.5 | -41.3 | 173.6 | 178.3 | -103.6 | 0 | 0 | 0 | 113.6 | F399 C400 F520 K523 N524 A565 A566 | F396-F399 WeakPolarHBondContact O-CB 3.3Å; F396-F399 PolarHBondContact O-N 2.81Å; F396-C400 PolarHBondContact O-N 3.1Å; F396-C400 PolarHBondContact O-SG 2.71Å; F396-F520 HydrophobicContact CB-CD2 3.84Å; F396-F520 HydrophobicContact CB-CE2 3.83Å; F396-F520 HydrophobicContact CB-CG 4.22Å; F396-F520 HydrophobicContact CB-CZ 4.19Å; F396-F520 AromaticContact CD2-CD1 3.73Å; F396-F520 HydrophobicContact CD2-CD1 3.73Å; F396-F520 HydrophobicContact CD2-CD2 4.5Å; F396-F520 AromaticContact CD2-CE1 3.56Å; F396-F520 HydrophobicContact CD2-CE1 3.56Å; F396-F520 HydrophobicContact CD2-CE2 4.36Å; F396-F520 HydrophobicContact CD2-CG 4.22Å; F396-F520 AromaticContact CD2-CZ 3.89Å; F396-F520 HydrophobicContact CD2-CZ 3.89Å; F396-F520 HydrophobicContact CE2-CE1 4.31Å; F396-F520 VanDerWaalsContact N-CE2 3.35Å; F396-K523 HydrophobicContact CB-CB 4.17Å; F396-K523 HydrophobicContact CB-CD 3.92Å; F396-K523 HydrophobicContact CD1-CB 3.96Å; F396-K523 HydrophobicContact CG-CB 4.13Å; F396-N524 HydrophobicContact CE2-CB 4.03Å; F396-N524 HydrophobicContact CZ-CB 4.16Å; F396-A565 HydrophobicContact CE1-CB 4.27Å; F396-A565 HydrophobicContact CZ-CB 4.35Å; F396-A566 HydrophobicContact CE2-CB 4.03Å; F396-A566 HydrophobicContact CZ-CB 3.83Å |
| 397 | E | 80.9 | Confident | 82.9 | Confident | 21 Ų | 21 | 24.5 Ų | 24.5 | 10% | 0.098 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.1 | -45.7 | -179.9 | -60.5 | 89 | 158.1 | 0 | 0 | 111.8 | S189 S395 F399 C400 I401 K523 | S189-E397 WeakPolarHBondContact CB-OE1 3.48Å; S189-E397 PolarHBondContact OG-OE1 3.29Å; S395-E397 WeakPolarHBondContact CB-OE2 3.43Å; S395-E397 PolarHBondContact O-N 2.86Å; S395-E397 PolarHBondContact OG-OE2 3.48Å; E397-F399 VanDerWaalsContact C-N 3.31Å; E397-F399 PolarHBondContact O-N 2.73Å; E397-C400 PolarHBondContact O-N 2.88Å; E397-I401 WeakPolarHBondContact O-CG1 3.46Å; E397-I401 PolarHBondContact O-N 3.03Å; E397-K523 IonicContact OE1-NZ 3.96Å; E397-K523 PolarHBondContact OE1-NZ 3.33Å; E397-K523 IonicContact OE2-NZ 3.03Å; E397-K523 PolarHBondContact OE2-NZ 3.15Å |
| 398 | Q | 84.8 | Confident | 83.5 | Confident | 11 Ų | 11 | 25.2 Ų | 25.2 | 5% | 0.051 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.5 | -39.2 | 174.4 | -78.7 | 65.9 | 53.1 | 0 | 0 | 111.4 | E389 F391 N394 S395 C400 I401 N402 Y515 | E389-Q398 HydrophobicContact CB-CG 4.16Å; E389-Q398 PolarHBondContact OE2-NE2 2.95Å; E389-Q398 VanDerWaalsContact OE2-NE2 3.1Å; F391-Q398 HydrophobicContact CD2-CG 3.68Å; F391-Q398 HydrophobicContact CE2-CG 3.89Å; N394-Q398 HydrophobicContact CB-CB 3.99Å; N394-Q398 HydrophobicContact CB-CG 4.29Å; S395-Q398 PolarHBondContact O-N 3.36Å; S395-Q398 VanDerWaalsContact O-N 3.16Å; Q398-C400 PolarHBondContact O-N 3.35Å; Q398-I401 PolarHBondContact O-N 3.49Å; Q398-N402 WeakPolarHBondContact O-CB 3.29Å; Q398-N402 VanDerWaalsContact O-CG 3.3Å; Q398-N402 PolarHBondContact O-N 3.09Å; Q398-N402 PolarHBondContact O-ND2 3.24Å; Q398-Y515 HydrophobicContact CB-CE1 4.28Å |
| 399 | F | 89.6 | Confident | 83.7 | Confident | 1 Ų | 1 | 25.3 Ų | 25.3 | 0% | 0.004 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.6 | -46 | 176.2 | 167.6 | -100 | 0 | 0 | 0 | 111.8 | S395 F396 E397 N402 Y403 V446 I453 L454 I506 Y515 F520 | S395-F399 PolarHBondContact O-N 2.78Å; F396-F399 WeakPolarHBondContact O-CB 3.3Å; F396-F399 PolarHBondContact O-N 2.81Å; E397-F399 VanDerWaalsContact C-N 3.31Å; E397-F399 PolarHBondContact O-N 2.73Å; F399-N402 PolarHBondContact O-N 2.95Å; F399-Y403 WeakPolarHBondContact O-CB 3.47Å; F399-Y403 PolarHBondContact O-N 3.32Å; F399-V446 HydrophobicContact CE1-CG1 4.39Å; F399-V446 HydrophobicContact CE2-CG1 4.36Å; F399-V446 HydrophobicContact CE2-CG2 4.17Å; F399-V446 HydrophobicContact CZ-CG1 3.7Å; F399-V446 HydrophobicContact CZ-CG2 4.29Å; F399-I453 HydrophobicContact CE1-CG2 4.37Å; F399-I453 HydrophobicContact CE2-CD1 4.09Å; F399-I453 HydrophobicContact CE2-CG2 4.17Å; F399-I453 HydrophobicContact CZ-CB 4.11Å; F399-I453 HydrophobicContact CZ-CD1 4.4Å; F399-I453 HydrophobicContact CZ-CG2 3.63Å; F399-L454 HydrophobicContact CE1-CD2 3.7Å; F399-L454 HydrophobicContact CZ-CD2 4.17Å; F399-I506 HydrophobicContact CD2-CD1 4.02Å; F399-I506 HydrophobicContact CE2-CD1 3.7Å; F399-Y515 VanDerWaalsContact CA-CE1 3.49Å; F399-Y515 HydrophobicContact CB-CD1 3.87Å; F399-Y515 HydrophobicContact CB-CE1 3.71Å; F399-Y515 HydrophobicContact CD2-CE2 4.46Å; F399-F520 HydrophobicContact CB-CE2 4.44Å; F399-F520 HydrophobicContact CB-CZ 3.85Å; F399-F520 HydrophobicContact CD1-CE1 4.17Å; F399-F520 AromaticContact CD1-CZ 3.87Å; F399-F520 HydrophobicContact CD1-CZ 3.87Å; F399-F520 AromaticContact CG-CZ 3.83Å; F399-F520 HydrophobicContact CG-CZ 3.83Å |
| 400 | C | 86.9 | Confident | 84.2 | Confident | 5 Ų | 5 | 25 Ų | 25 | 3% | 0.034 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.3 | -43.6 | 174.3 | -69 | 0 | 0 | 0 | 0 | 112.3 | L185 F396 E397 Q398 N402 Y403 C404 F569 | L185-C400 HydrophobicContact CD1-CB 3.67Å; F396-C400 PolarHBondContact O-N 3.1Å; F396-C400 PolarHBondContact O-SG 2.71Å; E397-C400 PolarHBondContact O-N 2.88Å; Q398-C400 PolarHBondContact O-N 3.35Å; C400-N402 PolarHBondContact O-N 3.43Å; C400-Y403 PolarHBondContact O-N 3.15Å; C400-C404 WeakPolarHBondContact O-CB 3.35Å; C400-C404 PolarHBondContact O-N 3.36Å; C400-F569 HydrophobicContact CB-CD1 3.78Å; C400-F569 HydrophobicContact CB-CE1 3.63Å; C400-F569 HydrophobicContact CB-CG 4.47Å; C400-F569 HydrophobicContact CB-CZ 4.24Å; C400-F569 WeakPolarHBondContact O-CE1 3.39Å |
| 401 | I | 83.6 | Confident | 84.6 | Confident | 7 Ų | 7 | 23.5 Ų | 23.5 | 4% | 0.036 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.5 | -46.1 | 178 | -73.6 | 165.8 | 0 | 0 | 0 | 111.4 | L185 Y386 G387 E389 E397 Q398 C404 N405 | L185-I401 HydrophobicContact CD1-CG1 4.48Å; Y386-I401 HydrophobicContact CD1-CG1 4.4Å; Y386-I401 HydrophobicContact CD2-CB 4.03Å; Y386-I401 HydrophobicContact CD2-CG1 3.78Å; Y386-I401 HydrophobicContact CD2-CG2 3.6Å; Y386-I401 HydrophobicContact CE2-CB 4.29Å; Y386-I401 HydrophobicContact CE2-CG1 3.94Å; Y386-I401 HydrophobicContact CE2-CG2 4.31Å; Y386-I401 HydrophobicContact CG-CD1 4.46Å; Y386-I401 HydrophobicContact CG-CG1 4.01Å; Y386-I401 HydrophobicContact CG-CG2 4.14Å; G387-I401 WeakPolarHBondContact O-CG2 3.07Å; E389-I401 HydrophobicContact CB-CG2 4.42Å; E389-I401 HydrophobicContact CG-CG2 4.14Å; E389-I401 WeakPolarHBondContact OE2-CD1 2.9Å; E397-I401 WeakPolarHBondContact O-CG1 3.46Å; E397-I401 PolarHBondContact O-N 3.03Å; Q398-I401 PolarHBondContact O-N 3.49Å; I401-C404 PolarHBondContact O-N 3.49Å; I401-N405 PolarHBondContact O-N 3.14Å; I401-N405 PolarHBondContact O-ND2 3.31Å |
| 402 | N | 87.2 | Confident | 84.8 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -70.1 | -40.3 | -178.6 | -70.3 | -18.1 | 0 | 0 | 0 | 111.6 | F388 E389 Q398 F399 C400 C404 N405 E406 Y515 | F388-N402 HydrophobicContact CD2-CB 4.37Å; F388-N402 HydrophobicContact CE2-CB 3.81Å; F388-N402 HydrophobicContact CZ-CB 3.95Å; E389-N402 PolarHBondContact N-OD1 3.46Å; E389-N402 PolarHBondContact O-ND2 3.5Å; E389-N402 PolarHBondContact O-OD1 2.97Å; Q398-N402 WeakPolarHBondContact O-CB 3.29Å; Q398-N402 VanDerWaalsContact O-CG 3.3Å; Q398-N402 PolarHBondContact O-N 3.09Å; Q398-N402 PolarHBondContact O-ND2 3.24Å; F399-N402 PolarHBondContact O-N 2.95Å; C400-N402 PolarHBondContact O-N 3.43Å; N402-C404 VanDerWaalsContact C-N 3.31Å; N402-C404 PolarHBondContact O-N 3.36Å; N402-N405 PolarHBondContact O-N 2.95Å; N402-E406 WeakPolarHBondContact O-CG 3.42Å; N402-E406 PolarHBondContact O-N 3.17Å; N402-Y515 WeakPolarHBondContact CB-OH 3.26Å; N402-Y515 PolarHBondContact ND2-OH 3.48Å |
| 403 | Y | 89.2 | Confident | 84.9 | Confident | 4 Ų | 4 | 13.7 Ų | 13.7 | 2% | 0.016 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -58.3 | -41.4 | 171.3 | 159.5 | -108 | 0 | 0 | 0 | 112.3 | F399 C400 N405 E406 K407 V443 V446 E447 F569 | F399-Y403 WeakPolarHBondContact O-CB 3.47Å; F399-Y403 PolarHBondContact O-N 3.32Å; C400-Y403 PolarHBondContact O-N 3.15Å; Y403-N405 PolarHBondContact O-N 3.24Å; Y403-E406 WeakPolarHBondContact O-CB 3.44Å; Y403-E406 PolarHBondContact O-N 3Å; Y403-K407 HydrophobicContact CE2-CD 4.37Å; Y403-K407 PolarHBondContact O-N 2.98Å; Y403-V443 HydrophobicContact CE2-CG1 4.35Å; Y403-V446 HydrophobicContact CD1-CG1 4.46Å; Y403-V446 HydrophobicContact CD2-CB 3.69Å; Y403-V446 HydrophobicContact CD2-CG1 3.4Å; Y403-V446 VanDerWaalsContact CD2-CG1 3.4Å; Y403-V446 HydrophobicContact CD2-CG2 4.22Å; Y403-V446 HydrophobicContact CE2-CB 4.18Å; Y403-V446 HydrophobicContact CE2-CG1 3.92Å; Y403-V446 HydrophobicContact CG-CB 4.42Å; Y403-V446 HydrophobicContact CG-CG1 3.72Å; Y403-E447 HydrophobicContact CE2-CB 3.97Å; Y403-E447 HydrophobicContact CE2-CG 4.48Å; Y403-E447 PolarHBondContact OH-OE2 2.98Å; Y403-F569 HydrophobicContact CD1-CD1 4.3Å; Y403-F569 AromaticContact CD1-CE1 3.91Å; Y403-F569 HydrophobicContact CD1-CE1 3.91Å; Y403-F569 HydrophobicContact CE1-CD1 4.47Å; Y403-F569 HydrophobicContact CE1-CE1 4.31Å |
| 404 | C | 86.3 | Confident | 85 | Confident | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -63.9 | -41.2 | 175.9 | 175.5 | 0 | 0 | 0 | 0 | 112.4 | I385 Y386 C400 I401 N402 K407 L408 F569 I573 | I385-C404 WeakPolarHBondContact CD1-SG 3.33Å; Y386-C404 HydrophobicContact CE2-CB 4.13Å; C400-C404 WeakPolarHBondContact O-CB 3.35Å; C400-C404 PolarHBondContact O-N 3.36Å; I401-C404 PolarHBondContact O-N 3.49Å; N402-C404 VanDerWaalsContact C-N 3.31Å; N402-C404 PolarHBondContact O-N 3.36Å; C404-K407 PolarHBondContact O-N 3.4Å; C404-L408 WeakPolarHBondContact O-CG 3.39Å; C404-L408 PolarHBondContact O-N 3.11Å; C404-F569 HydrophobicContact CB-CE1 4.17Å; C404-F569 HydrophobicContact CB-CZ 3.74Å; C404-I573 HydrophobicContact CB-CD1 4.12Å; C404-I573 HydrophobicContact CB-CG1 4.25Å; C404-I573 WeakPolarHBondContact SG-CD1 3.37Å |
| 405 | N | 84.3 | Confident | 84.9 | Confident | 11 Ų | 11 | 13.9 Ų | 13.9 | 6% | 0.059 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -64.1 | -39.5 | 175.7 | -83.5 | -88.5 | 0 | 0 | 0 | 112 | Y386 G387 F388 I401 N402 Y403 L408 Q409 | Y386-N405 PolarHBondContact O-ND2 2.9Å; Y386-N405 VanDerWaalsContact O-ND2 3.1Å; Y386-N405 PolarHBondContact O-OD1 3.24Å; G387-N405 PolarHBondContact O-ND2 3.33Å; F388-N405 HydrophobicContact CD2-CB 3.93Å; I401-N405 PolarHBondContact O-N 3.14Å; I401-N405 PolarHBondContact O-ND2 3.31Å; N402-N405 PolarHBondContact O-N 2.95Å; Y403-N405 PolarHBondContact O-N 3.24Å; N405-L408 PolarHBondContact O-N 3.3Å; N405-Q409 VanDerWaalsContact O-CB 3.31Å; N405-Q409 WeakPolarHBondContact O-CB 3.41Å; N405-Q409 PolarHBondContact O-N 3.33Å |
| 406 | E | 87.1 | Confident | 84.5 | Confident | 1 Ų | 1 | 13.2 Ų | 13.2 | 1% | 0.005 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -59.1 | -47 | 174.1 | -71.3 | -71.9 | -169.2 | 0 | 0 | 112 | N402 Y403 Q409 Q410 N439 I442 V443 H508 Y509 | N402-E406 WeakPolarHBondContact O-CG 3.42Å; N402-E406 PolarHBondContact O-N 3.17Å; Y403-E406 WeakPolarHBondContact O-CB 3.44Å; Y403-E406 PolarHBondContact O-N 3Å; E406-Q409 PolarHBondContact O-N 2.88Å; E406-Q410 PolarHBondContact O-N 3.27Å; E406-N439 PolarHBondContact OE2-ND2 3.25Å; E406-I442 HydrophobicContact CG-CG2 4.07Å; E406-V443 HydrophobicContact CB-CG2 4.2Å; E406-H508 WeakPolarHBondContact OE1-CA 3.36Å; E406-H508 WeakPolarHBondContact OE1-CB 3.42Å; E406-H508 IonicContact OE1-CG 3.61Å; E406-H508 IonicContact OE1-ND1 3.98Å; E406-H508 PolarHBondContact OE1-ND1 3.46Å; E406-Y509 HydrophobicContact CG-CD1 4.39Å; E406-Y509 VanDerWaalsContact OE1-CD1 3.31Å; E406-Y509 WeakPolarHBondContact OE1-CD1 3.42Å; E406-Y509 PolarHBondContact OE1-N 2.92Å; E406-Y509 WeakPolarHBondContact OE2-CD1 3.41Å |
| 407 | K | 88.1 | Confident | 84.2 | Confident | 26 Ų | 26 | 13.1 Ų | 13.1 | 11% | 0.113 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -68.1 | -38.2 | -178.7 | -167.2 | 159.7 | 176.7 | 141.3 | 0 | 112.7 | Y403 C404 L411 V443 E447 I573 V577 | Y403-K407 HydrophobicContact CE2-CD 4.37Å; Y403-K407 PolarHBondContact O-N 2.98Å; C404-K407 PolarHBondContact O-N 3.4Å; K407-L411 PolarHBondContact O-N 2.99Å; K407-L411 VanDerWaalsContact O-N 3.11Å; K407-V443 HydrophobicContact CB-CG2 4.43Å; K407-V443 HydrophobicContact CD-CG1 4.38Å; K407-E447 IonicContact NZ-OE1 3.63Å; K407-E447 PolarHBondContact NZ-OE1 2.81Å; K407-E447 IonicContact NZ-OE2 3.7Å; K407-E447 PolarHBondContact NZ-OE2 2.8Å; K407-I573 HydrophobicContact CB-CG2 4.46Å; K407-I573 HydrophobicContact CD-CG2 3.91Å; K407-I573 HydrophobicContact CG-CG2 4.4Å; K407-V577 HydrophobicContact CD-CG2 4.36Å; K407-V577 HydrophobicContact CG-CG2 3.98Å |
| 408 | L | 85.8 | Confident | 84.1 | Confident | 20 Ų | 20 | 16.9 Ų | 16.9 | 11% | 0.105 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -67.7 | -35.3 | 173.5 | -72.2 | 178.1 | 0 | 0 | 0 | 112.5 | L383 I385 C404 N405 F412 L580 | L383-L408 HydrophobicContact CD2-CD1 4.19Å; L383-L408 HydrophobicContact CD2-CD2 4.36Å; I385-L408 HydrophobicContact CD1-CD1 3.64Å; I385-L408 HydrophobicContact CG2-CD1 3.97Å; C404-L408 WeakPolarHBondContact O-CG 3.39Å; C404-L408 PolarHBondContact O-N 3.11Å; N405-L408 PolarHBondContact O-N 3.3Å; L408-F412 WeakPolarHBondContact O-CB 3.4Å; L408-F412 PolarHBondContact O-N 3.36Å; L408-L580 HydrophobicContact CD2-CD1 3.79Å |
| 409 | Q | 82.9 | Confident | 83.7 | Confident | 7 Ų | 7 | 18.3 Ų | 18.3 | 3% | 0.033 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -69 | -40.5 | 176.6 | -173.1 | 67.4 | 5 | 0 | 0 | 111.6 | N405 E406 F412 I413 Y509 | N405-Q409 VanDerWaalsContact O-CB 3.31Å; N405-Q409 WeakPolarHBondContact O-CB 3.41Å; N405-Q409 PolarHBondContact O-N 3.33Å; E406-Q409 PolarHBondContact O-N 2.88Å; Q409-F412 WeakPolarHBondContact O-CB 3.48Å; Q409-F412 PolarHBondContact O-N 3.35Å; Q409-I413 HydrophobicContact CG-CD1 4.35Å; Q409-I413 WeakPolarHBondContact O-CG1 3.26Å; Q409-I413 PolarHBondContact O-N 3.2Å; Q409-I413 VanDerWaalsContact O-N 3.08Å; Q409-Y509 HydrophobicContact CB-CE1 4.48Å; Q409-Y509 HydrophobicContact CB-CE2 4.27Å; Q409-Y509 HydrophobicContact CG-CD2 4.05Å; Q409-Y509 HydrophobicContact CG-CE2 3.64Å |
| 410 | Q | 86 | Confident | 83.1 | Confident | 5 Ų | 5 | 18.9 Ų | 18.9 | 2% | 0.023 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59.2 | -51.5 | 173.1 | -179.5 | 60.4 | 22.5 | 0 | 0 | 111.4 | E406 F412 I413 E414 N438 N439 | E406-Q410 PolarHBondContact O-N 3.27Å; Q410-F412 PolarHBondContact O-N 3.35Å; Q410-I413 PolarHBondContact O-N 2.97Å; Q410-I413 VanDerWaalsContact O-N 3.16Å; Q410-E414 PolarHBondContact NE2-OE1 2.85Å; Q410-E414 WeakPolarHBondContact O-CG 3.5Å; Q410-E414 PolarHBondContact O-N 3.31Å; Q410-N438 PolarHBondContact NE2-OD1 3.09Å; Q410-N438 VanDerWaalsContact NE2-OD1 3.08Å; Q410-N438 PolarHBondContact OE1-OD1 3.41Å; Q410-N438 VanDerWaalsContact OE1-OD1 3.13Å; Q410-N439 HydrophobicContact CB-CB 4.15Å |
| 411 | L | 85.4 | Confident | 82.7 | Confident | 13 Ų | 13 | 22 Ų | 22 | 7% | 0.068 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -55.7 | -40.6 | 177.4 | 177.7 | 66.7 | 0 | 0 | 0 | 111.6 | K407 E414 L415 V577 L580 A581 | K407-L411 PolarHBondContact O-N 2.99Å; K407-L411 VanDerWaalsContact O-N 3.11Å; L411-E414 PolarHBondContact O-N 3.22Å; L411-L415 HydrophobicContact CD1-CD1 3.9Å; L411-L415 HydrophobicContact CD1-CG 3.98Å; L411-L415 HydrophobicContact CD2-CD1 4.31Å; L411-L415 HydrophobicContact CG-CD1 3.81Å; L411-L415 HydrophobicContact CG-CG 4.25Å; L411-L415 WeakPolarHBondContact O-CB 3.47Å; L411-L415 VanDerWaalsContact O-CG 3.28Å; L411-L415 WeakPolarHBondContact O-CG 3.4Å; L411-L415 PolarHBondContact O-N 3.45Å; L411-V577 HydrophobicContact CD1-CG1 4.16Å; L411-V577 HydrophobicContact CD2-CB 4.44Å; L411-V577 HydrophobicContact CD2-CG1 4.07Å; L411-V577 HydrophobicContact CD2-CG2 4.46Å; L411-V577 HydrophobicContact CG-CG1 4.49Å; L411-L580 HydrophobicContact CD2-CB 3.67Å; L411-L580 HydrophobicContact CD2-CD1 4.13Å; L411-A581 HydrophobicContact CD1-CB 4Å |
| 412 | F | 81.4 | Confident | 82.6 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.3 | -46.4 | 178.8 | 162.1 | -115.6 | 0 | 0 | 0 | 113 | V45 L408 Q409 Q410 E414 L415 I416 Y587 R589 N619 | V45-F412 HydrophobicContact CG2-CE2 4.49Å; L408-F412 WeakPolarHBondContact O-CB 3.4Å; L408-F412 PolarHBondContact O-N 3.36Å; Q409-F412 WeakPolarHBondContact O-CB 3.48Å; Q409-F412 PolarHBondContact O-N 3.35Å; Q410-F412 PolarHBondContact O-N 3.35Å; F412-E414 VanDerWaalsContact C-N 3.34Å; F412-L415 PolarHBondContact O-N 3.29Å; F412-I416 HydrophobicContact CD2-CD1 3.73Å; F412-I416 HydrophobicContact CD2-CG1 4.02Å; F412-I416 HydrophobicContact CE1-CD1 4.18Å; F412-I416 HydrophobicContact CE2-CD1 3.09Å; F412-I416 HydrophobicContact CE2-CG1 3.86Å; F412-I416 HydrophobicContact CZ-CD1 3.35Å; F412-I416 HydrophobicContact CZ-CG1 4.47Å; F412-I416 WeakPolarHBondContact O-CG1 3.08Å; F412-I416 PolarHBondContact O-N 2.79Å; F412-Y587 HydrophobicContact CB-CE1 4.08Å; F412-Y587 AromaticContact CD2-CD1 3.78Å; F412-Y587 HydrophobicContact CD2-CD1 3.78Å; F412-Y587 AromaticContact CD2-CD2 3.71Å; F412-Y587 HydrophobicContact CD2-CD2 3.71Å; F412-Y587 AromaticContact CD2-CE1 3.36Å; F412-Y587 HydrophobicContact CD2-CE1 3.36Å; F412-Y587 AromaticContact CD2-CE2 3.27Å; F412-Y587 HydrophobicContact CD2-CE2 3.27Å; F412-Y587 AromaticContact CD2-CG 3.95Å; F412-Y587 HydrophobicContact CD2-CG 3.95Å; F412-Y587 AromaticContact CD2-CZ 3.11Å; F412-Y587 WeakPolarHBondContact CD2-OH 3.37Å; F412-Y587 AromaticContact CE2-CD1 3.83Å; F412-Y587 HydrophobicContact CE2-CD1 3.83Å; F412-Y587 AromaticContact CE2-CD2 3.42Å; F412-Y587 HydrophobicContact CE2-CD2 3.42Å; F412-Y587 VanDerWaalsContact CE2-CD2 3.42Å; F412-Y587 AromaticContact CE2-CE1 3.91Å; F412-Y587 HydrophobicContact CE2-CE1 3.91Å; F412-Y587 AromaticContact CE2-CE2 3.49Å; F412-Y587 HydrophobicContact CE2-CE2 3.49Å; F412-Y587 VanDerWaalsContact CE2-CE2 3.49Å; F412-Y587 AromaticContact CE2-CG 3.6Å; F412-Y587 HydrophobicContact CE2-CG 3.6Å; F412-Y587 AromaticContact CE2-CZ 3.77Å; F412-Y587 HydrophobicContact CG-CE1 4.01Å; F412-Y587 HydrophobicContact CG-CE2 4.5Å; F412-R589 VanDerWaalsContact CD1-NH2 3.29Å; F412-R589 VanDerWaalsContact CE1-NH2 3.33Å; F412-N619 VanDerWaalsContact CE1-ND2 3.31Å; F412-N619 WeakPolarHBondContact CE1-ND2 3.5Å; F412-N619 WeakPolarHBondContact CE1-OD1 3.37Å; F412-N619 VanDerWaalsContact CZ-ND2 3.34Å; F412-N619 WeakPolarHBondContact CZ-ND2 3.46Å; F412-N619 WeakPolarHBondContact CZ-OD1 3.05Å |
| 413 | I | 78.4 | Confident | 82.3 | Confident | 22 Ų | 22 | 26.3 Ų | 26.3 | 11% | 0.113 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.9 | -45 | 178.5 | -66.4 | 167.4 | 0 | 0 | 0 | 109.8 | Q409 Q410 I416 L417 Y436 | Q409-I413 HydrophobicContact CG-CD1 4.35Å; Q409-I413 WeakPolarHBondContact O-CG1 3.26Å; Q409-I413 PolarHBondContact O-N 3.2Å; Q409-I413 VanDerWaalsContact O-N 3.08Å; Q410-I413 PolarHBondContact O-N 2.97Å; Q410-I413 VanDerWaalsContact O-N 3.16Å; I413-I416 PolarHBondContact O-N 3.01Å; I413-L417 HydrophobicContact CG2-CD1 3.74Å; I413-L417 HydrophobicContact CG2-CG 4.42Å; I413-L417 WeakPolarHBondContact O-CB 3.46Å; I413-L417 VanDerWaalsContact O-CG 3.24Å; I413-L417 WeakPolarHBondContact O-CG 3.32Å; I413-L417 PolarHBondContact O-N 2.79Å; I413-Y436 HydrophobicContact CG2-CD2 3.43Å; I413-Y436 VanDerWaalsContact CG2-CD2 3.43Å; I413-Y436 HydrophobicContact CG2-CE2 3.41Å; I413-Y436 VanDerWaalsContact CG2-CE2 3.41Å; I413-Y436 HydrophobicContact CG2-CG 4.15Å |
| 414 | E | 82.1 | Confident | 82 | Confident | 85 Ų | 85 | 26.4 Ų | 26.4 | 40% | 0.397 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -59.4 | -49.1 | 177.4 | -72.5 | 176.3 | -178.9 | 0 | 0 | 112.3 | Q410 L411 F412 L417 Q418 | Q410-E414 PolarHBondContact NE2-OE1 2.85Å; Q410-E414 WeakPolarHBondContact O-CG 3.5Å; Q410-E414 PolarHBondContact O-N 3.31Å; L411-E414 PolarHBondContact O-N 3.22Å; F412-E414 VanDerWaalsContact C-N 3.34Å; E414-L417 PolarHBondContact O-N 3.4Å; E414-Q418 WeakPolarHBondContact O-CB 3.35Å; E414-Q418 PolarHBondContact O-N 3.29Å |
| 415 | L | 81.9 | Confident | 82 | Confident | 18 Ų | 18 | 33.3 Ų | 33.3 | 9% | 0.094 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.7 | -39.7 | -178.5 | -70.5 | 176.1 | 0 | 0 | 0 | 112.7 | L411 F412 Q418 Q419 P585 | L411-L415 HydrophobicContact CD1-CD1 3.9Å; L411-L415 HydrophobicContact CD1-CG 3.98Å; L411-L415 HydrophobicContact CD2-CD1 4.31Å; L411-L415 HydrophobicContact CG-CD1 3.81Å; L411-L415 HydrophobicContact CG-CG 4.25Å; L411-L415 WeakPolarHBondContact O-CB 3.47Å; L411-L415 VanDerWaalsContact O-CG 3.28Å; L411-L415 WeakPolarHBondContact O-CG 3.4Å; L411-L415 PolarHBondContact O-N 3.45Å; F412-L415 PolarHBondContact O-N 3.29Å; L415-Q418 PolarHBondContact O-N 2.91Å; L415-Q419 VanDerWaalsContact O-CB 3.31Å; L415-Q419 WeakPolarHBondContact O-CB 3.44Å; L415-Q419 PolarHBondContact O-N 3.01Å; L415-P585 HydrophobicContact CB-CG 3.96Å; L415-P585 HydrophobicContact CD1-CB 4.25Å; L415-P585 HydrophobicContact CD1-CG 3.93Å |
| 416 | I | 78 | Confident | 82 | Confident | 6 Ų | 6 | 38.6 Ų | 38.6 | 3% | 0.031 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.4 | -49.5 | 174.3 | -77.3 | -171.9 | 0 | 0 | 0 | 110.2 | F412 I413 Q418 Q419 E420 V622 | F412-I416 HydrophobicContact CD2-CD1 3.73Å; F412-I416 HydrophobicContact CD2-CG1 4.02Å; F412-I416 HydrophobicContact CE1-CD1 4.18Å; F412-I416 HydrophobicContact CE2-CD1 3.09Å; F412-I416 HydrophobicContact CE2-CG1 3.86Å; F412-I416 HydrophobicContact CZ-CD1 3.35Å; F412-I416 HydrophobicContact CZ-CG1 4.47Å; F412-I416 WeakPolarHBondContact O-CG1 3.08Å; F412-I416 PolarHBondContact O-N 2.79Å; I413-I416 PolarHBondContact O-N 3.01Å; I416-Q418 VanDerWaalsContact C-N 3.3Å; I416-Q418 PolarHBondContact O-N 3.19Å; I416-Q419 PolarHBondContact O-N 3.41Å; I416-E420 HydrophobicContact CG2-CG 4.28Å; I416-E420 WeakPolarHBondContact O-CB 3.16Å; I416-E420 WeakPolarHBondContact O-CG 3.44Å; I416-E420 PolarHBondContact O-N 3.4Å; I416-V622 HydrophobicContact CG2-CG1 4.49Å |
| 417 | L | 77.4 | Confident | 82.1 | Confident | 12 Ų | 12 | 39 Ų | 39 | 6% | 0.063 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.7 | -40.5 | -178.1 | -71.8 | 170.3 | 0 | 0 | 0 | 111.3 | I413 E414 E420 Q421 W431 I434 Y436 V622 | I413-L417 HydrophobicContact CG2-CD1 3.74Å; I413-L417 HydrophobicContact CG2-CG 4.42Å; I413-L417 WeakPolarHBondContact O-CB 3.46Å; I413-L417 VanDerWaalsContact O-CG 3.24Å; I413-L417 WeakPolarHBondContact O-CG 3.32Å; I413-L417 PolarHBondContact O-N 2.79Å; E414-L417 PolarHBondContact O-N 3.4Å; L417-E420 PolarHBondContact O-N 2.78Å; L417-Q421 WeakPolarHBondContact O-CB 3.13Å; L417-Q421 WeakPolarHBondContact O-CG 3.31Å; L417-Q421 PolarHBondContact O-N 3.25Å; L417-W431 HydrophobicContact CD2-CH2 4.42Å; L417-W431 HydrophobicContact CD2-CZ2 4.48Å; L417-I434 HydrophobicContact CD2-CD1 4.31Å; L417-Y436 HydrophobicContact CD1-CD1 3.61Å; L417-Y436 HydrophobicContact CD1-CD2 4.43Å; L417-Y436 HydrophobicContact CD1-CE1 3.21Å; L417-Y436 HydrophobicContact CD1-CE2 4.11Å; L417-Y436 HydrophobicContact CD1-CG 4.2Å; L417-Y436 VanDerWaalsContact CD1-CZ 3.49Å; L417-V622 HydrophobicContact CD2-CG1 3.8Å |
| 418 | Q | 79.4 | Confident | 81.9 | Confident | 100 Ų | 100 | 40.6 Ų | 40.6 | 47% | 0.467 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.6 | -47 | 175.6 | -175.1 | -178.6 | -12.2 | 0 | 0 | 111.7 | E414 L415 I416 E420 Q421 E422 | E414-Q418 WeakPolarHBondContact O-CB 3.35Å; E414-Q418 PolarHBondContact O-N 3.29Å; L415-Q418 PolarHBondContact O-N 2.91Å; I416-Q418 VanDerWaalsContact C-N 3.3Å; I416-Q418 PolarHBondContact O-N 3.19Å; Q418-E420 VanDerWaalsContact C-N 3.29Å; Q418-E420 PolarHBondContact O-N 2.63Å; Q418-Q421 PolarHBondContact O-N 2.89Å; Q418-E422 HydrophobicContact CG-CG 4.48Å; Q418-E422 PolarHBondContact NE2-OE1 3.31Å; Q418-E422 WeakPolarHBondContact O-CG 3.5Å; Q418-E422 PolarHBondContact O-N 3.28Å |
| 419 | Q | 76.9 | Confident | 82 | Confident | 41 Ų | 41 | 40.6 Ų | 40.6 | 19% | 0.192 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.6 | -41.3 | 178.2 | -173.3 | -171.2 | 2.3 | 0 | 0 | 111.6 | E44 L415 I416 E423 | E44-Q419 PolarHBondContact OE2-NE2 3.31Å; E44-Q419 VanDerWaalsContact OE2-NE2 3.12Å; L415-Q419 VanDerWaalsContact O-CB 3.31Å; L415-Q419 WeakPolarHBondContact O-CB 3.44Å; L415-Q419 PolarHBondContact O-N 3.01Å; I416-Q419 PolarHBondContact O-N 3.41Å; Q419-E423 WeakPolarHBondContact O-CB 3.25Å; Q419-E423 PolarHBondContact O-N 3.42Å |
| 420 | E | 76 | Confident | 81.9 | Confident | 14 Ų | 14 | 45.8 Ų | 45.8 | 7% | 0.065 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.5 | -44.2 | 176.1 | -73.6 | -67.7 | 145.9 | 0 | 0 | 112.1 | I416 L417 Q418 E423 Y424 W431 R630 | I416-E420 HydrophobicContact CG2-CG 4.28Å; I416-E420 WeakPolarHBondContact O-CB 3.16Å; I416-E420 WeakPolarHBondContact O-CG 3.44Å; I416-E420 PolarHBondContact O-N 3.4Å; L417-E420 PolarHBondContact O-N 2.78Å; Q418-E420 VanDerWaalsContact C-N 3.29Å; Q418-E420 PolarHBondContact O-N 2.63Å; E420-E423 PolarHBondContact O-N 3.18Å; E420-Y424 PolarHBondContact O-N 3.44Å; E420-Y424 PolarHBondContact OE2-OH 2.91Å; E420-W431 HydrophobicContact CB-CH2 4.07Å; E420-W431 HydrophobicContact CB-CZ3 3.89Å; E420-R630 VanDerWaalsContact CD-NH1 3.32Å; E420-R630 IonicContact OE1-CZ 3.04Å; E420-R630 VanDerWaalsContact OE1-CZ 3.32Å; E420-R630 IonicContact OE1-NH1 2.75Å; E420-R630 PolarHBondContact OE1-NH1 3.36Å; E420-R630 IonicContact OE1-NH2 2.7Å; E420-R630 PolarHBondContact OE1-NH2 3.05Å; E420-R630 IonicContact OE2-CZ 3.44Å; E420-R630 IonicContact OE2-NH1 2.75Å; E420-R630 PolarHBondContact OE2-NH1 3.03Å; E420-R630 IonicContact OE2-NH2 2.65Å; E420-R630 PolarHBondContact OE2-NH2 2.81Å |
| 421 | Q | 79.3 | Confident | 81.5 | Confident | 69 Ų | 69 | 49.6 Ų | 49.6 | 32% | 0.322 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.6 | -46.8 | 175.4 | -75 | 171.4 | 31 | 0 | 0 | 112 | L417 Q418 E423 Y424 Q425 W431 | L417-Q421 WeakPolarHBondContact O-CB 3.13Å; L417-Q421 WeakPolarHBondContact O-CG 3.31Å; L417-Q421 PolarHBondContact O-N 3.25Å; Q418-Q421 PolarHBondContact O-N 2.89Å; Q421-E423 VanDerWaalsContact C-N 3.32Å; Q421-E423 PolarHBondContact O-N 3.07Å; Q421-Y424 PolarHBondContact O-N 2.63Å; Q421-Q425 WeakPolarHBondContact O-CB 3.47Å; Q421-Q425 VanDerWaalsContact O-CG 3.28Å; Q421-Q425 WeakPolarHBondContact O-CG 3.22Å; Q421-Q425 PolarHBondContact O-N 3.45Å; Q421-W431 HydrophobicContact CB-CE3 4.24Å; Q421-W431 HydrophobicContact CB-CZ3 4.3Å; Q421-W431 HydrophobicContact CG-CD2 3.53Å; Q421-W431 VanDerWaalsContact CG-CE2 3.49Å; Q421-W431 HydrophobicContact CG-CE3 3.53Å; Q421-W431 HydrophobicContact CG-CG 4.32Å; Q421-W431 HydrophobicContact CG-CH2 3.57Å; Q421-W431 HydrophobicContact CG-CZ2 3.53Å; Q421-W431 HydrophobicContact CG-CZ3 3.56Å |
| 422 | E | 82 | Confident | 80.9 | Confident | 72 Ų | 72 | 53.9 Ų | 53.9 | 34% | 0.336 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62 | -38.7 | 178.8 | -74.8 | -179.7 | -165.1 | 0 | 0 | 112 | Q418 R426 | Q418-E422 HydrophobicContact CG-CG 4.48Å; Q418-E422 PolarHBondContact NE2-OE1 3.31Å; Q418-E422 WeakPolarHBondContact O-CG 3.5Å; Q418-E422 PolarHBondContact O-N 3.28Å; E422-R426 VanDerWaalsContact O-CB 3.31Å; E422-R426 WeakPolarHBondContact O-CB 3.41Å; E422-R426 PolarHBondContact O-N 3.18Å |
| 423 | E | 79.9 | Confident | 80.4 | Confident | 26 Ų | 26 | 61.1 Ų | 61.1 | 12% | 0.121 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.1 | -43.6 | 177.5 | -171.5 | 72.7 | 179.8 | 0 | 0 | 111.4 | Q419 E420 Q421 Q425 R426 E427 K679 F681 | Q419-E423 WeakPolarHBondContact O-CB 3.25Å; Q419-E423 PolarHBondContact O-N 3.42Å; E420-E423 PolarHBondContact O-N 3.18Å; Q421-E423 VanDerWaalsContact C-N 3.32Å; Q421-E423 PolarHBondContact O-N 3.07Å; E423-Q425 VanDerWaalsContact C-N 3.35Å; E423-R426 PolarHBondContact O-N 2.98Å; E423-R426 IonicContact OE2-CZ 2.83Å; E423-R426 IonicContact OE2-NH1 3.37Å; E423-R426 PolarHBondContact OE2-NH1 3.4Å; E423-E427 WeakPolarHBondContact O-CB 3.13Å; E423-E427 WeakPolarHBondContact O-CG 3.25Å; E423-E427 PolarHBondContact O-N 2.83Å; E423-K679 IonicContact OE1-NZ 3.56Å; E423-K679 PolarHBondContact OE1-NZ 2.85Å; E423-F681 HydrophobicContact CG-CZ 4.39Å |
| 424 | Y | 84.3 | Confident | 79.9 | Confident | 7 Ų | 7 | 60.9 Ų | 60.9 | 3% | 0.027 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.8 | -39.6 | 177.7 | -71.1 | 6.2 | 0 | 0 | 0 | 111.4 | E420 Q421 E427 G428 I429 W431 G626 F627 F681 | E420-Y424 PolarHBondContact O-N 3.44Å; E420-Y424 PolarHBondContact OE2-OH 2.91Å; Q421-Y424 PolarHBondContact O-N 2.63Å; Y424-E427 CarbonylContact O-C 3.59Å; Y424-E427 PolarHBondContact O-N 2.9Å; Y424-G428 PolarHBondContact O-N 3.43Å; Y424-I429 HydrophobicContact CD2-CG2 4.41Å; Y424-I429 HydrophobicContact CG-CB 4.35Å; Y424-I429 HydrophobicContact CG-CG2 4.37Å; Y424-I429 PolarHBondContact O-N 2.87Å; Y424-W431 AromaticContact CD2-CE3 3.46Å; Y424-W431 HydrophobicContact CD2-CE3 3.46Å; Y424-W431 VanDerWaalsContact CD2-CE3 3.46Å; Y424-W431 AromaticContact CD2-CZ3 3.84Å; Y424-W431 HydrophobicContact CD2-CZ3 3.84Å; Y424-W431 AromaticContact CE2-CE3 3.86Å; Y424-W431 HydrophobicContact CE2-CE3 3.86Å; Y424-W431 AromaticContact CE2-CZ3 3.83Å; Y424-W431 HydrophobicContact CE2-CZ3 3.83Å; Y424-W431 HydrophobicContact CG-CE3 4.29Å; Y424-G626 WeakPolarHBondContact OH-CA 3.38Å; Y424-F627 HydrophobicContact CE1-CD2 4.06Å; Y424-F627 HydrophobicContact CE2-CD2 4.11Å; Y424-F627 HydrophobicContact CE2-CE2 4.37Å; Y424-F627 AromaticContact CZ-CD2 3.66Å; Y424-F627 PolarHBondContact OH-N 3.18Å; Y424-F681 HydrophobicContact CD1-CD1 4.43Å; Y424-F681 AromaticContact CD1-CE1 3.9Å; Y424-F681 HydrophobicContact CD1-CE1 3.9Å; Y424-F681 AromaticContact CE1-CD1 3.99Å; Y424-F681 HydrophobicContact CE1-CD1 3.99Å; Y424-F681 AromaticContact CE1-CE1 3.72Å; Y424-F681 HydrophobicContact CE1-CE1 3.72Å |
| 425 | Q | 85.1 | Confident | 79.2 | Confident | 144 Ų | 144 | 63.5 Ų | 63.5 | 67% | 0.673 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -61.3 | -45.5 | 172.9 | -73 | 175.8 | 18.5 | 0 | 0 | 111.7 | Q421 E423 E427 G428 | Q421-Q425 WeakPolarHBondContact O-CB 3.47Å; Q421-Q425 VanDerWaalsContact O-CG 3.28Å; Q421-Q425 WeakPolarHBondContact O-CG 3.22Å; Q421-Q425 PolarHBondContact O-N 3.45Å; E423-Q425 VanDerWaalsContact C-N 3.35Å; Q425-E427 VanDerWaalsContact C-N 3.28Å; Q425-E427 PolarHBondContact O-N 2.82Å; Q425-G428 PolarHBondContact O-N 2.83Å |
| 426 | R | 85.6 | Confident | 78.7 | Confident | 123 Ų | 123 | 66.8 Ų | 66.8 | 46% | 0.464 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.3 | -37.9 | 178 | -170.9 | -175.8 | -58.6 | 137.6 | 9.7 | 112.3 | E422 E423 | E422-R426 VanDerWaalsContact O-CB 3.31Å; E422-R426 WeakPolarHBondContact O-CB 3.41Å; E422-R426 PolarHBondContact O-N 3.18Å; E423-R426 PolarHBondContact O-N 2.98Å; E423-R426 IonicContact OE2-CZ 2.83Å; E423-R426 IonicContact OE2-NH1 3.37Å; E423-R426 PolarHBondContact OE2-NH1 3.4Å |
| 427 | E | 87.8 | Confident | 78.5 | Confident | 9 Ų | 9 | 71.2 Ų | 71.2 | 4% | 0.042 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -89.4 | -3.3 | -178.5 | -67.2 | -76.3 | 169.3 | 0 | 0 | 113 | E423 Y424 Q425 I429 G676 Q677 T678 K679 F681 | E423-E427 WeakPolarHBondContact O-CB 3.13Å; E423-E427 WeakPolarHBondContact O-CG 3.25Å; E423-E427 PolarHBondContact O-N 2.83Å; Y424-E427 CarbonylContact O-C 3.59Å; Y424-E427 PolarHBondContact O-N 2.9Å; Q425-E427 VanDerWaalsContact C-N 3.28Å; Q425-E427 PolarHBondContact O-N 2.82Å; E427-I429 HydrophobicContact CB-CD1 4.14Å; E427-I429 HydrophobicContact CB-CG1 4.3Å; E427-G676 CarbonylContact O-C 3.57Å; E427-G676 VanDerWaalsContact O-CA 3.27Å; E427-G676 WeakPolarHBondContact O-CA 3.34Å; E427-Q677 PolarHBondContact O-N 3Å; E427-Q677 VanDerWaalsContact O-N 3.09Å; E427-Q677 PolarHBondContact OE2-N 2.84Å; E427-T678 PolarHBondContact OE1-OG1 3.23Å; E427-T678 PolarHBondContact OE2-N 2.9Å; E427-K679 PolarHBondContact OE2-N 3.02Å; E427-F681 HydrophobicContact CB-CE2 3.9Å; E427-F681 HydrophobicContact CB-CZ 4.01Å; E427-F681 HydrophobicContact CG-CE2 3.87Å; E427-F681 HydrophobicContact CG-CZ 3.79Å |
| 428 | G | 85 | Confident | 78.6 | Confident | 59 Ų | 59 | 73.8 Ų | 73.8 | 61% | 0.608 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75 | 28.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y424 Q425 | Y424-G428 PolarHBondContact O-N 3.43Å; Q425-G428 PolarHBondContact O-N 2.83Å |
| 429 | I | 86.4 | Confident | 78.8 | Confident | 20 Ų | 20 | 69.2 Ų | 69.2 | 10% | 0.103 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -98.6 | 141.7 | -177.5 | -60.9 | 174.9 | 0 | 0 | 0 | 110 | Y424 E427 W431 F627 A674 F681 | Y424-I429 HydrophobicContact CD2-CG2 4.41Å; Y424-I429 HydrophobicContact CG-CB 4.35Å; Y424-I429 HydrophobicContact CG-CG2 4.37Å; Y424-I429 PolarHBondContact O-N 2.87Å; E427-I429 HydrophobicContact CB-CD1 4.14Å; E427-I429 HydrophobicContact CB-CG1 4.3Å; I429-W431 PolarHBondContact O-N 2.98Å; I429-F627 HydrophobicContact CG2-CE2 3.6Å; I429-F627 HydrophobicContact CG2-CZ 4.17Å; I429-A674 HydrophobicContact CD1-CB 4.38Å; I429-A674 HydrophobicContact CG2-CB 4.32Å; I429-F681 HydrophobicContact CD1-CB 4.11Å; I429-F681 HydrophobicContact CD1-CD1 3.79Å; I429-F681 HydrophobicContact CD1-CD2 3.17Å; I429-F681 HydrophobicContact CD1-CE1 3.94Å; I429-F681 HydrophobicContact CD1-CE2 3.35Å; I429-F681 HydrophobicContact CD1-CG 3.42Å; I429-F681 VanDerWaalsContact CD1-CG 3.42Å; I429-F681 HydrophobicContact CD1-CZ 3.76Å |
| 430 | T | 81.9 | Confident | 79.3 | Confident | 116 Ų | 116 | 70 Ų | 70 | 71% | 0.712 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 124 | 178.5 | 46.5 | 0 | 0 | 0 | 0 | 111.5 | ||
| 431 | W | 77.4 | Confident | 80 | Confident | 86 Ų | 86 | 73 Ų | 73 | 33% | 0.326 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -72 | 134 | 174.1 | -178.5 | -103.7 | 0 | 0 | 0 | 110.8 | L417 E420 Q421 Y424 I429 I434 | L417-W431 HydrophobicContact CD2-CH2 4.42Å; L417-W431 HydrophobicContact CD2-CZ2 4.48Å; E420-W431 HydrophobicContact CB-CH2 4.07Å; E420-W431 HydrophobicContact CB-CZ3 3.89Å; Q421-W431 HydrophobicContact CB-CE3 4.24Å; Q421-W431 HydrophobicContact CB-CZ3 4.3Å; Q421-W431 HydrophobicContact CG-CD2 3.53Å; Q421-W431 VanDerWaalsContact CG-CE2 3.49Å; Q421-W431 HydrophobicContact CG-CE3 3.53Å; Q421-W431 HydrophobicContact CG-CG 4.32Å; Q421-W431 HydrophobicContact CG-CH2 3.57Å; Q421-W431 HydrophobicContact CG-CZ2 3.53Å; Q421-W431 HydrophobicContact CG-CZ3 3.56Å; Y424-W431 AromaticContact CD2-CE3 3.46Å; Y424-W431 HydrophobicContact CD2-CE3 3.46Å; Y424-W431 VanDerWaalsContact CD2-CE3 3.46Å; Y424-W431 AromaticContact CD2-CZ3 3.84Å; Y424-W431 HydrophobicContact CD2-CZ3 3.84Å; Y424-W431 AromaticContact CE2-CE3 3.86Å; Y424-W431 HydrophobicContact CE2-CE3 3.86Å; Y424-W431 AromaticContact CE2-CZ3 3.83Å; Y424-W431 HydrophobicContact CE2-CZ3 3.83Å; Y424-W431 HydrophobicContact CG-CE3 4.29Å; I429-W431 PolarHBondContact O-N 2.98Å; W431-I434 HydrophobicContact CH2-CD1 3.82Å; W431-I434 HydrophobicContact CZ2-CD1 4.08Å; W431-I434 HydrophobicContact CZ2-CG1 4.35Å |
| 432 | Q | 73 | Confident | 80.5 | Confident | 103 Ų | 103 | 69.8 Ų | 69.8 | 48% | 0.481 | 35% | 0.346 | S | S | . | . | trans | -110.2 | 138 | 171.5 | -61.8 | -170.2 | -7.1 | 0 | 0 | 108.5 | I434 | Q432-I434 PolarHBondContact O-N 2.86Š| ||
| 433 | H | 69.8 | Low | 80.9 | Confident | 151 Ų | 151 | 66.4 Ų | 66.4 | 70% | 0.699 | 33% | 0.33 | S | S | * | . | trans | -62.2 | 128.2 | 175.7 | -172.4 | -89.1 | 0 | 0 | 0 | 109.5 | D435 | H433-D435 IonicContact CE1-OD1 3.7Å; H433-D435 PolarHBondContact CE1-OD1 2.94Å; H433-D435 IonicContact ND1-OD1 3.86Å; H433-D435 PolarHBondContact ND1-OD1 3.18Å | ||
| 434 | I | 69.3 | Low | 81.5 | Confident | 18 Ų | 18 | 68 Ų | 68 | 9% | 0.092 | 34% | 0.339 | C | S | . | . | trans | -105.4 | 120.7 | 176.6 | -59 | 173.3 | 0 | 0 | 0 | 106.4 | L417 W431 Q432 Y436 V622 A625 | L417-I434 HydrophobicContact CD2-CD1 4.31Å; W431-I434 HydrophobicContact CH2-CD1 3.82Å; W431-I434 HydrophobicContact CZ2-CD1 4.08Å; W431-I434 HydrophobicContact CZ2-CG1 4.35Å; Q432-I434 PolarHBondContact O-N 2.86Å; I434-Y436 WeakPolarHBondContact O-CD1 3.47Å; I434-V622 HydrophobicContact CG2-CG1 4.49Å; I434-V622 HydrophobicContact CG2-CG2 4.44Å; I434-A625 HydrophobicContact CB-CB 4.42Å; I434-A625 HydrophobicContact CD1-CB 4.18Å; I434-A625 HydrophobicContact CG1-CB 3.97Å; I434-A625 HydrophobicContact CG2-CB 3.73Å | ||
| 435 | D | 66.4 | Low | 81.9 | Confident | 140 Ų | 140 | 67.9 Ų | 67.9 | 75% | 0.749 | 34% | 0.339 | S | S | * | . | trans | -76.4 | 125.2 | 173.6 | -63.4 | -28.8 | 0 | 0 | 0 | 109.2 | H433 | H433-D435 IonicContact CE1-OD1 3.7Å; H433-D435 PolarHBondContact CE1-OD1 2.94Å; H433-D435 IonicContact ND1-OD1 3.86Å; H433-D435 PolarHBondContact ND1-OD1 3.18Å | ||
| 436 | Y | 72.1 | Confident | 82.2 | Confident | 86 Ų | 86 | 61.1 Ų | 61.1 | 34% | 0.337 | 31% | 0.308 | S | S | . | . | trans | -141.9 | 159.1 | 178.1 | 70.5 | -87.2 | 0 | 0 | 0 | 110.8 | I413 L417 I434 N438 | I413-Y436 HydrophobicContact CG2-CD2 3.43Å; I413-Y436 VanDerWaalsContact CG2-CD2 3.43Å; I413-Y436 HydrophobicContact CG2-CE2 3.41Å; I413-Y436 VanDerWaalsContact CG2-CE2 3.41Å; I413-Y436 HydrophobicContact CG2-CG 4.15Å; L417-Y436 HydrophobicContact CD1-CD1 3.61Å; L417-Y436 HydrophobicContact CD1-CD2 4.43Å; L417-Y436 HydrophobicContact CD1-CE1 3.21Å; L417-Y436 HydrophobicContact CD1-CE2 4.11Å; L417-Y436 HydrophobicContact CD1-CG 4.2Å; L417-Y436 VanDerWaalsContact CD1-CZ 3.49Å; I434-Y436 WeakPolarHBondContact O-CD1 3.47Å; Y436-N438 HydrophobicContact CE2-CB 4.34Å; Y436-N438 PolarHBondContact O-N 2.97Å | ||
| 437 | F | 72.7 | Confident | 82.5 | Confident | 100 Ų | 100 | 56.6 Ų | 56.6 | 44% | 0.439 | 29% | 0.291 | S | S | . | . | trans | -76.7 | 122.2 | 176 | -179.6 | -99.8 | 0 | 0 | 0 | 110.5 | N439 I442 H485 | F437-N439 VanDerWaalsContact CD1-OD1 3.23Å; F437-N439 WeakPolarHBondContact CD1-OD1 3.14Å; F437-I442 HydrophobicContact CE1-CD1 4.04Å; F437-I442 HydrophobicContact CZ-CD1 4.09Å; F437-H485 AromaticContact CZ-CE1 4Å | ||
| 438 | N | 79.6 | Confident | 82.6 | Confident | 66 Ų | 66 | 60.2 Ų | 60.2 | 35% | 0.353 | 31% | 0.308 | S | S | . | . | trans | -91.9 | 108.9 | -179 | -172.1 | -14.3 | 0 | 0 | 0 | 110.7 | Q410 Y436 Q440 | Q410-N438 PolarHBondContact NE2-OD1 3.09Å; Q410-N438 VanDerWaalsContact NE2-OD1 3.08Å; Q410-N438 PolarHBondContact OE1-OD1 3.41Å; Q410-N438 VanDerWaalsContact OE1-OD1 3.13Å; Y436-N438 HydrophobicContact CE2-CB 4.34Å; Y436-N438 PolarHBondContact O-N 2.97Å; N438-Q440 PolarHBondContact O-N 2.93Å; N438-Q440 WeakPolarHBondContact OD1-CB 3.21Å; N438-Q440 PolarHBondContact OD1-N 3.38Å | ||
| 439 | N | 84.6 | Confident | 82.4 | Confident | 4 Ų | 4 | 64.5 Ų | 64.5 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -11.4 | -179.7 | -68 | 39.2 | 0 | 0 | 0 | 112.8 | E406 Q410 F437 I441 I442 V443 Y509 | E406-N439 PolarHBondContact OE2-ND2 3.25Å; Q410-N439 HydrophobicContact CB-CB 4.15Å; F437-N439 VanDerWaalsContact CD1-OD1 3.23Å; F437-N439 WeakPolarHBondContact CD1-OD1 3.14Å; N439-I441 PolarHBondContact O-N 2.99Å; N439-I441 VanDerWaalsContact O-N 3.09Å; N439-I442 PolarHBondContact O-N 2.78Å; N439-V443 PolarHBondContact O-N 3.05Å; N439-V443 VanDerWaalsContact O-N 3.1Å; N439-Y509 WeakPolarHBondContact ND2-CB 3.3Å |
| 440 | Q | 87.3 | Confident | 82.2 | Confident | 56 Ų | 56 | 69.8 Ų | 69.8 | 26% | 0.262 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -54.8 | -31.7 | 179.6 | -168.8 | 60.3 | 43.5 | 0 | 0 | 112.6 | N438 I442 V443 D444 | N438-Q440 PolarHBondContact O-N 2.93Å; N438-Q440 WeakPolarHBondContact OD1-CB 3.21Å; N438-Q440 PolarHBondContact OD1-N 3.38Å; Q440-I442 VanDerWaalsContact C-N 3.27Å; Q440-I442 PolarHBondContact O-N 2.81Å; Q440-V443 PolarHBondContact O-N 3.35Å; Q440-D444 PolarHBondContact NE2-OD1 2.93Å; Q440-D444 WeakPolarHBondContact O-CB 3.43Å; Q440-D444 PolarHBondContact O-N 2.76Å |
| 441 | I | 90.3 | Very high | 82.3 | Confident | 79 Ų | 79 | 70.7 Ų | 70.7 | 41% | 0.405 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.7 | -38.7 | 176.5 | -59.8 | 171.2 | 0 | 0 | 0 | 111.4 | N439 L445 | N439-I441 PolarHBondContact O-N 2.99Å; N439-I441 VanDerWaalsContact O-N 3.09Å; I441-L445 PolarHBondContact O-N 3.27Å |
| 442 | I | 91 | Very high | 82.9 | Confident | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -79.3 | -37.4 | 179.4 | -56.3 | 166.5 | 0 | 0 | 0 | 110.2 | E406 F437 N439 Q440 D444 L445 V446 I506 | E406-I442 HydrophobicContact CG-CG2 4.07Å; F437-I442 HydrophobicContact CE1-CD1 4.04Å; F437-I442 HydrophobicContact CZ-CD1 4.09Å; N439-I442 PolarHBondContact O-N 2.78Å; Q440-I442 VanDerWaalsContact C-N 3.27Å; Q440-I442 PolarHBondContact O-N 2.81Å; I442-D444 VanDerWaalsContact C-N 3.34Å; I442-L445 WeakPolarHBondContact O-CB 3.44Å; I442-L445 PolarHBondContact O-N 2.8Å; I442-V446 PolarHBondContact O-N 3.22Å; I442-I506 HydrophobicContact CG2-CG2 4.48Å |
| 443 | V | 90.4 | Very high | 83.8 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.4 | -45.7 | 174.9 | 176.5 | 0 | 0 | 0 | 0 | 110.2 | Y403 E406 K407 N439 Q440 L445 V446 E447 | Y403-V443 HydrophobicContact CE2-CG1 4.35Å; E406-V443 HydrophobicContact CB-CG2 4.2Å; K407-V443 HydrophobicContact CB-CG2 4.43Å; K407-V443 HydrophobicContact CD-CG1 4.38Å; N439-V443 PolarHBondContact O-N 3.05Å; N439-V443 VanDerWaalsContact O-N 3.1Å; Q440-V443 PolarHBondContact O-N 3.35Å; V443-L445 PolarHBondContact O-N 3.02Å; V443-V446 PolarHBondContact O-N 3.02Å; V443-V446 VanDerWaalsContact O-N 3.11Å; V443-E447 HydrophobicContact CG1-CG 3.99Å; V443-E447 WeakPolarHBondContact CG1-OE1 3.48Å; V443-E447 WeakPolarHBondContact O-CG 3.45Å; V443-E447 PolarHBondContact O-N 3.45Å |
| 444 | D | 91.4 | Very high | 84.8 | Confident | 60 Ų | 60 | 55 Ų | 55 | 32% | 0.321 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 177.6 | -73 | -14.6 | 0 | 0 | 0 | 111.9 | Q440 I442 V446 E447 Q448 | Q440-D444 PolarHBondContact NE2-OD1 2.93Å; Q440-D444 WeakPolarHBondContact O-CB 3.43Å; Q440-D444 PolarHBondContact O-N 2.76Å; I442-D444 VanDerWaalsContact C-N 3.34Å; D444-V446 PolarHBondContact O-N 3.11Å; D444-V446 VanDerWaalsContact O-N 3.12Å; D444-E447 PolarHBondContact O-N 2.88Å; D444-Q448 HydrophobicContact CB-CB 4.45Å; D444-Q448 WeakPolarHBondContact O-CA 3.4Å; D444-Q448 WeakPolarHBondContact O-CB 3.28Å; D444-Q448 PolarHBondContact O-N 2.87Å |
| 445 | L | 92.3 | Very high | 85.7 | Confident | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -51.5 | -38 | 173.7 | 173.5 | 63.2 | 0 | 0 | 0 | 112.2 | I441 I442 V443 G452 I453 L480 H483 H485 I506 | I441-L445 PolarHBondContact O-N 3.27Å; I442-L445 WeakPolarHBondContact O-CB 3.44Å; I442-L445 PolarHBondContact O-N 2.8Å; V443-L445 PolarHBondContact O-N 3.02Å; L445-G452 CarbonylContact O-C 3.57Å; L445-G452 WeakPolarHBondContact O-CA 3.44Å; L445-I453 HydrophobicContact CG-CD1 4.22Å; L445-I453 PolarHBondContact O-N 3.1Å; L445-L480 HydrophobicContact CD1-CD1 3.98Å; L445-L480 HydrophobicContact CD1-CD2 3.78Å; L445-L480 HydrophobicContact CD1-CG 4.34Å; L445-H483 HydrophobicContact CD1-CB 4.23Å; L445-H485 HydrophobicContact CD2-CB 4.05Å; L445-I506 HydrophobicContact CD2-CG2 4.09Å |
| 446 | V | 91.9 | Very high | 86.8 | Confident | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.012 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -84.7 | -51.3 | -178.9 | 177.5 | 0 | 0 | 0 | 0 | 111.6 | F399 Y403 I442 V443 D444 G452 I453 L454 | F399-V446 HydrophobicContact CE1-CG1 4.39Å; F399-V446 HydrophobicContact CE2-CG1 4.36Å; F399-V446 HydrophobicContact CE2-CG2 4.17Å; F399-V446 HydrophobicContact CZ-CG1 3.7Å; F399-V446 HydrophobicContact CZ-CG2 4.29Å; Y403-V446 HydrophobicContact CD1-CG1 4.46Å; Y403-V446 HydrophobicContact CD2-CB 3.69Å; Y403-V446 HydrophobicContact CD2-CG1 3.4Å; Y403-V446 VanDerWaalsContact CD2-CG1 3.4Å; Y403-V446 HydrophobicContact CD2-CG2 4.22Å; Y403-V446 HydrophobicContact CE2-CB 4.18Å; Y403-V446 HydrophobicContact CE2-CG1 3.92Å; Y403-V446 HydrophobicContact CG-CB 4.42Å; Y403-V446 HydrophobicContact CG-CG1 3.72Å; I442-V446 PolarHBondContact O-N 3.22Å; V443-V446 PolarHBondContact O-N 3.02Å; V443-V446 VanDerWaalsContact O-N 3.11Å; D444-V446 PolarHBondContact O-N 3.11Å; D444-V446 VanDerWaalsContact O-N 3.12Å; V446-G452 CarbonylContact O-C 3.53Å; V446-I453 PolarHBondContact O-N 3.18Å; V446-L454 HydrophobicContact CG1-CD1 4.17Å; V446-L454 HydrophobicContact CG1-CD2 4.3Å; V446-L454 HydrophobicContact CG1-CG 3.86Å; V446-L454 WeakPolarHBondContact O-CG 3.24Å; V446-L454 PolarHBondContact O-N 2.86Å |
| 447 | E | 91.6 | Very high | 87.6 | Confident | 27 Ų | 27 | 44.7 Ų | 44.7 | 13% | 0.126 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -104.2 | -8.4 | -163.8 | 83.6 | 176.3 | 171.7 | 0 | 0 | 116.1 | Y403 K407 V443 D444 Q449 K570 | Y403-E447 HydrophobicContact CE2-CB 3.97Å; Y403-E447 HydrophobicContact CE2-CG 4.48Å; Y403-E447 PolarHBondContact OH-OE2 2.98Å; K407-E447 IonicContact NZ-OE1 3.63Å; K407-E447 PolarHBondContact NZ-OE1 2.81Å; K407-E447 IonicContact NZ-OE2 3.7Å; K407-E447 PolarHBondContact NZ-OE2 2.8Å; V443-E447 HydrophobicContact CG1-CG 3.99Å; V443-E447 WeakPolarHBondContact CG1-OE1 3.48Å; V443-E447 WeakPolarHBondContact O-CG 3.45Å; V443-E447 PolarHBondContact O-N 3.45Å; D444-E447 PolarHBondContact O-N 2.88Å; E447-Q449 PolarHBondContact O-N 2.85Å; E447-K570 HydrophobicContact CB-CD 4.24Å; E447-K570 PolarHBondContact O-NZ 2.97Å |
| 448 | Q | 89.3 | Confident | 88.1 | Confident | 85 Ų | 85 | 41.4 Ų | 41.4 | 40% | 0.397 | 20% | 0.201 | S | C | . | . | trans | -56.2 | 132.7 | -175.4 | -177.9 | 175.9 | 48.3 | 0 | 0 | 110.9 | D444 H450 K451 G452 | D444-Q448 HydrophobicContact CB-CB 4.45Å; D444-Q448 WeakPolarHBondContact O-CA 3.4Å; D444-Q448 WeakPolarHBondContact O-CB 3.28Å; D444-Q448 PolarHBondContact O-N 2.87Å; Q448-H450 PolarHBondContact O-N 2.97Å; Q448-K451 HydrophobicContact CG-CB 4.22Å; Q448-K451 PolarHBondContact O-N 2.92Å; Q448-G452 WeakPolarHBondContact O-CA 3.49Å; Q448-G452 PolarHBondContact O-N 3.2Å | ||
| 449 | Q | 82.7 | Confident | 88.4 | Confident | 149 Ų | 149 | 41.8 Ų | 41.8 | 70% | 0.696 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | 133.7 | -177.4 | -155.8 | 160.4 | -1.3 | 0 | 0 | 110.6 | E447 K451 | E447-Q449 PolarHBondContact O-N 2.85Å; Q449-K451 PolarHBondContact O-N 3.12Å |
| 450 | H | 81.1 | Confident | 88.4 | Confident | 132 Ų | 132 | 42.1 Ų | 42.1 | 61% | 0.611 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.7 | -10.1 | -179.1 | -50.8 | -63.7 | 0 | 0 | 0 | 117 | Q448 S455 | Q448-H450 PolarHBondContact O-N 2.97Å; H450-S455 WeakPolarHBondContact CA-OG 3.3Å; H450-S455 PolarHBondContact N-OG 3.47Å |
| 451 | K | 84.8 | Confident | 88 | Confident | 135 Ų | 135 | 40.5 Ų | 40.5 | 59% | 0.587 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -126.6 | -30 | -177 | -69.8 | -173.5 | 178.9 | -178.1 | 0 | 114.7 | Q448 Q449 | Q448-K451 HydrophobicContact CG-CB 4.22Å; Q448-K451 PolarHBondContact O-N 2.92Å; Q449-K451 PolarHBondContact O-N 3.12Å |
| 452 | G | 89.7 | Confident | 87.2 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -71.5 | 161.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113 | L445 V446 Q448 L454 S455 I456 | L445-G452 CarbonylContact O-C 3.57Å; L445-G452 WeakPolarHBondContact O-CA 3.44Å; V446-G452 CarbonylContact O-C 3.53Å; Q448-G452 WeakPolarHBondContact O-CA 3.49Å; Q448-G452 PolarHBondContact O-N 3.2Å; G452-L454 PolarHBondContact O-N 3.13Å; G452-S455 WeakPolarHBondContact O-CB 3.46Å; G452-S455 PolarHBondContact O-N 3.4Å; G452-I456 WeakPolarHBondContact O-CG1 3.46Å; G452-I456 PolarHBondContact O-N 2.98Å; G452-I456 VanDerWaalsContact O-N 3.15Å |
| 453 | I | 91.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -52.3 | -41.5 | -179.1 | -64.1 | 171.6 | 0 | 0 | 0 | 111.5 | F399 L445 V446 S455 I456 L457 M476 L480 I506 | F399-I453 HydrophobicContact CE1-CG2 4.37Å; F399-I453 HydrophobicContact CE2-CD1 4.09Å; F399-I453 HydrophobicContact CE2-CG2 4.17Å; F399-I453 HydrophobicContact CZ-CB 4.11Å; F399-I453 HydrophobicContact CZ-CD1 4.4Å; F399-I453 HydrophobicContact CZ-CG2 3.63Å; L445-I453 HydrophobicContact CG-CD1 4.22Å; L445-I453 PolarHBondContact O-N 3.1Å; V446-I453 PolarHBondContact O-N 3.18Å; I453-S455 PolarHBondContact O-N 3.43Å; I453-I456 PolarHBondContact O-N 2.9Å; I453-L457 HydrophobicContact CG2-CD1 3.96Å; I453-L457 HydrophobicContact CG2-CG 4.42Å; I453-L457 WeakPolarHBondContact O-CG 3.45Å; I453-L457 PolarHBondContact O-N 3.29Å; I453-M476 HydrophobicContact CG2-CE 4.02Å; I453-M476 HydrophobicContact CG2-SD 4.4Å; I453-L480 HydrophobicContact CD1-CD1 4.34Å; I453-L480 HydrophobicContact CG1-CD1 3.56Å; I453-I506 HydrophobicContact CD1-CD1 3.61Å; I453-I506 HydrophobicContact CD1-CG1 4.4Å |
| 454 | L | 90.4 | Very high | 84.7 | Confident | 9 Ų | 9 | 52 Ų | 52 | 5% | 0.047 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.4 | -39.4 | 179 | -62.9 | -170 | 0 | 0 | 0 | 112.9 | F399 V446 G452 I456 L457 D458 A566 K570 | F399-L454 HydrophobicContact CE1-CD2 3.7Å; F399-L454 HydrophobicContact CZ-CD2 4.17Å; V446-L454 HydrophobicContact CG1-CD1 4.17Å; V446-L454 HydrophobicContact CG1-CD2 4.3Å; V446-L454 HydrophobicContact CG1-CG 3.86Å; V446-L454 WeakPolarHBondContact O-CG 3.24Å; V446-L454 PolarHBondContact O-N 2.86Å; G452-L454 PolarHBondContact O-N 3.13Å; L454-I456 VanDerWaalsContact C-N 3.32Å; L454-I456 PolarHBondContact O-N 3.08Å; L454-L457 HydrophobicContact CD2-CD1 4.23Å; L454-L457 PolarHBondContact O-N 3.04Å; L454-D458 WeakPolarHBondContact O-CB 3.35Å; L454-D458 PolarHBondContact O-N 3.24Å; L454-A566 HydrophobicContact CD2-CB 3.6Å; L454-K570 HydrophobicContact CD1-CB 4.03Å; L454-K570 HydrophobicContact CD1-CD 4.12Å; L454-K570 HydrophobicContact CD1-CG 4.44Å |
| 455 | S | 88.8 | Confident | 83.2 | Confident | 23 Ų | 23 | 51.9 Ų | 51.9 | 16% | 0.161 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.8 | -38.3 | 176.9 | -166.3 | 0 | 0 | 0 | 0 | 111.4 | H450 G452 I453 D458 E459 | H450-S455 WeakPolarHBondContact CA-OG 3.3Å; H450-S455 PolarHBondContact N-OG 3.47Å; G452-S455 WeakPolarHBondContact O-CB 3.46Å; G452-S455 PolarHBondContact O-N 3.4Å; I453-S455 PolarHBondContact O-N 3.43Å; S455-D458 PolarHBondContact O-N 2.75Å; S455-E459 WeakPolarHBondContact O-CB 3.36Å; S455-E459 VanDerWaalsContact O-CG 3.29Å; S455-E459 WeakPolarHBondContact O-CG 3.46Å; S455-E459 PolarHBondContact O-N 3.39Å |
| 456 | I | 89.3 | Confident | 81.9 | Confident | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.021 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.6 | -41.4 | 177.7 | -59.5 | 172.8 | 0 | 0 | 0 | 110.5 | G452 I453 L454 E459 A460 M476 K479 L480 | G452-I456 WeakPolarHBondContact O-CG1 3.46Å; G452-I456 PolarHBondContact O-N 2.98Å; G452-I456 VanDerWaalsContact O-N 3.15Å; I453-I456 PolarHBondContact O-N 2.9Å; L454-I456 VanDerWaalsContact C-N 3.32Å; L454-I456 PolarHBondContact O-N 3.08Å; I456-E459 PolarHBondContact O-N 2.83Å; I456-A460 WeakPolarHBondContact O-CB 3.32Å; I456-A460 PolarHBondContact O-N 2.83Å; I456-M476 HydrophobicContact CD1-CG 4.28Å; I456-M476 HydrophobicContact CG2-CG 3.92Å; I456-K479 HydrophobicContact CD1-CB 3.97Å; I456-K479 HydrophobicContact CD1-CD 3.76Å; I456-K479 HydrophobicContact CD1-CG 4.48Å; I456-K479 HydrophobicContact CG1-CD 3.81Å; I456-L480 HydrophobicContact CD1-CD1 4.11Å; I456-L480 HydrophobicContact CD1-CG 4.19Å |
| 457 | L | 87.8 | Confident | 81 | Confident | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.1 | -43 | 175.4 | -71.7 | 167.9 | 0 | 0 | 0 | 111.9 | I453 L454 A460 C461 M476 F520 L521 | I453-L457 HydrophobicContact CG2-CD1 3.96Å; I453-L457 HydrophobicContact CG2-CG 4.42Å; I453-L457 WeakPolarHBondContact O-CG 3.45Å; I453-L457 PolarHBondContact O-N 3.29Å; L454-L457 HydrophobicContact CD2-CD1 4.23Å; L454-L457 PolarHBondContact O-N 3.04Å; L457-A460 PolarHBondContact O-N 3.16Å; L457-C461 WeakPolarHBondContact O-CB 3.44Å; L457-C461 PolarHBondContact O-N 3.39Å; L457-C461 PolarHBondContact O-SG 3.13Å; L457-M476 HydrophobicContact CD1-CE 4.48Å; L457-M476 HydrophobicContact CD2-CE 3.53Å; L457-M476 HydrophobicContact CG-CE 3.8Å; L457-F520 HydrophobicContact CD1-CD1 4.03Å; L457-F520 HydrophobicContact CD1-CE1 3.77Å; L457-F520 HydrophobicContact CD2-CD1 3.69Å; L457-F520 HydrophobicContact CD2-CE1 4.22Å; L457-L521 HydrophobicContact CD2-CD2 4.2Å |
| 458 | D | 84.9 | Confident | 80.5 | Confident | 32 Ų | 32 | 65.5 Ų | 65.5 | 17% | 0.171 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.3 | -45 | 178.1 | -76.1 | 0.9 | 0 | 0 | 0 | 111.5 | L454 S455 A460 C461 L462 T564 T567 | L454-D458 WeakPolarHBondContact O-CB 3.35Å; L454-D458 PolarHBondContact O-N 3.24Å; S455-D458 PolarHBondContact O-N 2.75Å; D458-A460 VanDerWaalsContact C-N 3.33Å; D458-A460 PolarHBondContact O-N 3.02Å; D458-C461 PolarHBondContact O-N 3.22Å; D458-C461 VanDerWaalsContact O-N 3.16Å; D458-L462 WeakPolarHBondContact O-CB 3.1Å; D458-L462 WeakPolarHBondContact O-CD1 3.19Å; D458-L462 WeakPolarHBondContact O-CG 3.13Å; D458-L462 PolarHBondContact O-N 3.11Å; D458-T564 VanDerWaalsContact OD1-CB 3.31Å; D458-T564 WeakPolarHBondContact OD1-CB 3.45Å; D458-T564 VanDerWaalsContact OD1-CG2 3.24Å; D458-T564 WeakPolarHBondContact OD1-CG2 3.22Å; D458-T564 PolarHBondContact OD1-OG1 3.04Å; D458-T564 PolarHBondContact OD2-OG1 3.27Å; D458-T567 PolarHBondContact OD2-OG1 2.87Å |
| 459 | E | 85.1 | Confident | 80.3 | Confident | 73 Ų | 73 | 63 Ų | 63 | 34% | 0.341 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -58 | -43.4 | 173.7 | -75.3 | 170 | -154.8 | 0 | 0 | 112.1 | S455 I456 C461 L462 T463 K479 | S455-E459 WeakPolarHBondContact O-CB 3.36Å; S455-E459 VanDerWaalsContact O-CG 3.29Å; S455-E459 WeakPolarHBondContact O-CG 3.46Å; S455-E459 PolarHBondContact O-N 3.39Å; I456-E459 PolarHBondContact O-N 2.83Å; E459-C461 VanDerWaalsContact C-N 3.32Å; E459-C461 PolarHBondContact O-N 3.16Å; E459-L462 PolarHBondContact O-N 3.08Å; E459-T463 PolarHBondContact O-N 2.97Å; E459-T463 VanDerWaalsContact O-N 3.07Å; E459-T463 PolarHBondContact O-OG1 2.68Å; E459-K479 IonicContact OE1-NZ 3.83Å; E459-K479 IonicContact OE2-NZ 3.87Å; E459-K479 PolarHBondContact OE2-NZ 3.48Å |
| 460 | A | 84.6 | Confident | 80.4 | Confident | 11 Ų | 11 | 58.5 Ų | 58.5 | 9% | 0.091 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.4 | -34.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | I456 L457 D458 V467 C472 L521 | I456-A460 WeakPolarHBondContact O-CB 3.32Å; I456-A460 PolarHBondContact O-N 2.83Å; L457-A460 PolarHBondContact O-N 3.16Å; D458-A460 VanDerWaalsContact C-N 3.33Å; D458-A460 PolarHBondContact O-N 3.02Å; A460-V467 HydrophobicContact CB-CG1 4.23Å; A460-C472 HydrophobicContact CB-CB 4.26Å; A460-L521 HydrophobicContact CB-CD2 3.69Å |
| 461 | C | 79.3 | Confident | 80.6 | Confident | 23 Ų | 23 | 55.4 Ų | 55.4 | 16% | 0.155 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -73.1 | -27.7 | 174 | -66.5 | 0 | 0 | 0 | 0 | 113 | L457 D458 E459 K525 T564 | L457-C461 WeakPolarHBondContact O-CB 3.44Å; L457-C461 PolarHBondContact O-N 3.39Å; L457-C461 PolarHBondContact O-SG 3.13Å; D458-C461 PolarHBondContact O-N 3.22Å; D458-C461 VanDerWaalsContact O-N 3.16Å; E459-C461 VanDerWaalsContact C-N 3.32Å; E459-C461 PolarHBondContact O-N 3.16Å; C461-K525 HydrophobicContact CB-CG 4.15Å; C461-T564 HydrophobicContact CB-CG2 4.19Å |
| 462 | L | 72.8 | Confident | 80.7 | Confident | 100 Ų | 100 | 49 Ų | 49 | 52% | 0.524 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -83.6 | -28.1 | -177.7 | -71.8 | 166.8 | 0 | 0 | 0 | 113.5 | D458 E459 V464 R561 | D458-L462 WeakPolarHBondContact O-CB 3.1Å; D458-L462 WeakPolarHBondContact O-CD1 3.19Å; D458-L462 WeakPolarHBondContact O-CG 3.13Å; D458-L462 PolarHBondContact O-N 3.11Å; E459-L462 PolarHBondContact O-N 3.08Å; L462-V464 PolarHBondContact O-N 3.08Å; L462-R561 PolarHBondContact O-NH1 2.78Å |
| 463 | T | 74.4 | Confident | 80.6 | Confident | 83 Ų | 83 | 49.2 Ų | 49.2 | 51% | 0.509 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -61.2 | 130 | -174.9 | -60.8 | 0 | 0 | 0 | 0 | 112.1 | E459 G465 V467 | E459-T463 PolarHBondContact O-N 2.97Å; E459-T463 VanDerWaalsContact O-N 3.07Å; E459-T463 PolarHBondContact O-OG1 2.68Å; T463-G465 PolarHBondContact O-N 3.18Å; T463-G465 VanDerWaalsContact O-N 3.12Å; T463-V467 HydrophobicContact CG2-CG2 3.9Å |
| 464 | V | 55.3 | Low | 80.3 | Confident | 139 Ų | 139 | 51.5 Ų | 51.5 | 84% | 0.842 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -80.6 | 92 | -179.7 | -172.8 | 0 | 0 | 0 | 0 | 109.3 | L462 | L462-V464 PolarHBondContact O-N 3.08Š|
| 465 | G | 59.8 | Low | 80.2 | Confident | 58 Ų | 58 | 53.3 Ų | 53.3 | 60% | 0.598 | 31% | 0.31 | S | S | * | . | S | Bend | trans | 169.1 | 171.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | T463 V467 | T463-G465 PolarHBondContact O-N 3.18Å; T463-G465 VanDerWaalsContact O-N 3.12Å; G465-V467 PolarHBondContact O-N 3.29Å |
| 466 | K | 63.7 | Low | 80.2 | Confident | 215 Ų | 215 | 52.2 Ų | 52.2 | 94% | 0.935 | 30% | 0.303 | S | S | * | . | trans | -75.3 | 75.7 | 171.3 | -75.6 | -173.2 | 178.3 | -178.7 | 0 | 109.8 | T468 | K466-T468 PolarHBondContact O-N 3.19Š| ||
| 467 | V | 73.1 | Confident | 80.2 | Confident | 31 Ų | 31 | 52.4 Ų | 52.4 | 19% | 0.188 | 30% | 0.304 | C | S | . | . | trans | -77.4 | 117.7 | 170.2 | -176.5 | 0 | 0 | 0 | 0 | 108.2 | A460 T463 G465 V471 L521 | A460-V467 HydrophobicContact CB-CG1 4.23Å; T463-V467 HydrophobicContact CG2-CG2 3.9Å; G465-V467 PolarHBondContact O-N 3.29Å; V467-V471 HydrophobicContact CG1-CB 4.18Å; V467-V471 HydrophobicContact CG1-CG1 4.15Å; V467-L521 HydrophobicContact CG1-CD1 4.09Å | ||
| 468 | T | 82.6 | Confident | 80.2 | Confident | 72 Ų | 72 | 57.6 Ų | 57.6 | 44% | 0.442 | 34% | 0.336 | S | S | . | . | trans | -91.5 | 160.9 | 174.6 | 55.6 | 0 | 0 | 0 | 0 | 110.6 | K466 T470 V471 C472 | K466-T468 PolarHBondContact O-N 3.19Å; T468-T470 PolarHBondContact O-N 3.17Å; T468-T470 PolarHBondContact OG1-OG1 3.04Å; T468-V471 PolarHBondContact O-N 3.46Å; T468-V471 WeakPolarHBondContact OG1-CG2 3.46Å; T468-C472 PolarHBondContact O-N 3.44Å | ||
| 469 | D | 84.7 | Confident | 80.3 | Confident | 32 Ų | 32 | 61 Ų | 61 | 17% | 0.171 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -54.7 | -35.9 | 177.6 | -65.1 | -40 | 0 | 0 | 0 | 112.7 | V471 C472 L473 V517 G519 L521 | D469-V471 PolarHBondContact O-N 2.79Å; D469-C472 WeakPolarHBondContact O-CB 3.3Å; D469-C472 PolarHBondContact O-N 2.91Å; D469-L473 PolarHBondContact O-N 3.47Å; D469-V517 HydrophobicContact CB-CG1 4.07Å; D469-V517 HydrophobicContact CB-CG2 4.14Å; D469-V517 WeakPolarHBondContact CB-O 3.42Å; D469-G519 WeakPolarHBondContact OD2-CA 3.35Å; D469-G519 PolarHBondContact OD2-N 3.37Å; D469-L521 VanDerWaalsContact OD1-CB 3.3Å; D469-L521 WeakPolarHBondContact OD1-CB 3.49Å; D469-L521 WeakPolarHBondContact OD1-CG 3.41Å; D469-L521 PolarHBondContact OD1-N 2.66Å |
| 470 | T | 85.1 | Confident | 80.5 | Confident | 55 Ų | 55 | 58.1 Ų | 58.1 | 34% | 0.337 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.5 | -38.9 | 176.4 | 56.3 | 0 | 0 | 0 | 0 | 113.2 | T468 C472 L473 D474 | T468-T470 PolarHBondContact O-N 3.17Å; T468-T470 PolarHBondContact OG1-OG1 3.04Å; T470-C472 VanDerWaalsContact C-N 3.32Å; T470-L473 PolarHBondContact O-N 2.81Å; T470-D474 PolarHBondContact O-N 3.48Å |
| 471 | V | 85.6 | Confident | 80.5 | Confident | 68 Ų | 68 | 59.8 Ų | 59.8 | 41% | 0.412 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -70.3 | -33.9 | 177.8 | 175.9 | 0 | 0 | 0 | 0 | 110.6 | V467 T468 D469 S475 | V467-V471 HydrophobicContact CG1-CB 4.18Å; V467-V471 HydrophobicContact CG1-CG1 4.15Å; T468-V471 PolarHBondContact O-N 3.46Å; T468-V471 WeakPolarHBondContact OG1-CG2 3.46Å; D469-V471 PolarHBondContact O-N 2.79Å; V471-S475 PolarHBondContact O-N 2.82Å; V471-S475 PolarHBondContact O-OG 3.49Å |
| 472 | C | 85.9 | Confident | 80.8 | Confident | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.007 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -66.1 | -44.1 | 173.6 | -166.2 | 0 | 0 | 0 | 0 | 111 | A460 T468 D469 T470 D474 S475 M476 L521 | A460-C472 HydrophobicContact CB-CB 4.26Å; T468-C472 PolarHBondContact O-N 3.44Å; D469-C472 WeakPolarHBondContact O-CB 3.3Å; D469-C472 PolarHBondContact O-N 2.91Å; T470-C472 VanDerWaalsContact C-N 3.32Å; C472-D474 PolarHBondContact O-N 2.97Å; C472-S475 WeakPolarHBondContact O-CB 3.44Å; C472-S475 PolarHBondContact O-N 3.2Å; C472-S475 VanDerWaalsContact O-N 3.15Å; C472-M476 WeakPolarHBondContact O-CG 3.25Å; C472-M476 PolarHBondContact O-N 3.23Å; C472-L521 HydrophobicContact CB-CD1 4.09Å; C472-L521 HydrophobicContact CB-CD2 4.24Å; C472-L521 HydrophobicContact CB-CG 4.3Å |
| 473 | L | 87.3 | Confident | 81.6 | Confident | 4 Ų | 4 | 65.3 Ų | 65.3 | 2% | 0.021 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.6 | -43.9 | 174.5 | -178.7 | 60.4 | 0 | 0 | 0 | 112.3 | D469 T470 S475 M476 D477 F504 V517 | D469-L473 PolarHBondContact O-N 3.47Å; T470-L473 PolarHBondContact O-N 2.81Å; L473-S475 PolarHBondContact O-N 3.43Å; L473-M476 WeakPolarHBondContact O-CB 3.44Å; L473-M476 PolarHBondContact O-N 2.87Å; L473-M476 VanDerWaalsContact O-N 3.16Å; L473-D477 PolarHBondContact O-N 2.67Å; L473-F504 HydrophobicContact CD1-CB 3.81Å; L473-F504 HydrophobicContact CD1-CD1 4.2Å; L473-F504 HydrophobicContact CD1-CG 4.37Å; L473-V517 HydrophobicContact CB-CG1 4.34Å; L473-V517 HydrophobicContact CB-CG2 4.28Å; L473-V517 HydrophobicContact CD2-CG1 4.16Å |
| 474 | D | 87.1 | Confident | 82.3 | Confident | 47 Ų | 47 | 65.5 Ų | 65.5 | 25% | 0.251 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.5 | -35.1 | 175.4 | -84.1 | -40.1 | 0 | 0 | 0 | 112.4 | T470 C472 T478 K490 | T470-D474 PolarHBondContact O-N 3.48Å; C472-D474 PolarHBondContact O-N 2.97Å; D474-T478 WeakPolarHBondContact O-CB 3.48Å; D474-T478 PolarHBondContact O-N 3.32Å; D474-T478 PolarHBondContact O-OG1 3.41Å; D474-K490 IonicContact OD1-NZ 3.86Å; D474-K490 PolarHBondContact OD1-NZ 2.96Å |
| 475 | S | 87.6 | Confident | 83.9 | Confident | 48 Ų | 48 | 60 Ų | 60 | 34% | 0.336 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -69.2 | -39 | 175.3 | -58.9 | 0 | 0 | 0 | 0 | 111.9 | V471 C472 L473 T478 K479 | V471-S475 PolarHBondContact O-N 2.82Å; V471-S475 PolarHBondContact O-OG 3.49Å; C472-S475 WeakPolarHBondContact O-CB 3.44Å; C472-S475 PolarHBondContact O-N 3.2Å; C472-S475 VanDerWaalsContact O-N 3.15Å; L473-S475 PolarHBondContact O-N 3.43Å; S475-T478 PolarHBondContact O-N 3.36Å; S475-K479 PolarHBondContact O-N 3.47Å; S475-K479 VanDerWaalsContact O-N 3.07Å |
| 476 | M | 88.1 | Confident | 85.5 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.8 | -48.6 | 171.8 | -67 | 175.8 | -170 | 0 | 0 | 110.9 | I453 I456 L457 C472 L473 T478 K479 L480 Y486 | I453-M476 HydrophobicContact CG2-CE 4.02Å; I453-M476 HydrophobicContact CG2-SD 4.4Å; I456-M476 HydrophobicContact CD1-CG 4.28Å; I456-M476 HydrophobicContact CG2-CG 3.92Å; L457-M476 HydrophobicContact CD1-CE 4.48Å; L457-M476 HydrophobicContact CD2-CE 3.53Å; L457-M476 HydrophobicContact CG-CE 3.8Å; C472-M476 WeakPolarHBondContact O-CG 3.25Å; C472-M476 PolarHBondContact O-N 3.23Å; L473-M476 WeakPolarHBondContact O-CB 3.44Å; L473-M476 PolarHBondContact O-N 2.87Å; L473-M476 VanDerWaalsContact O-N 3.16Å; M476-T478 PolarHBondContact O-N 3.34Å; M476-K479 PolarHBondContact O-N 3.43Å; M476-L480 HydrophobicContact CB-CD1 4.43Å; M476-L480 VanDerWaalsContact O-CB 3.27Å; M476-L480 WeakPolarHBondContact O-CB 3.39Å; M476-L480 PolarHBondContact O-N 3.28Å; M476-Y486 HydrophobicContact CB-CE2 4.41Å; M476-Y486 WeakPolarHBondContact CB-OH 3.38Å |
| 477 | D | 88.6 | Confident | 86.8 | Confident | 7 Ų | 7 | 49.3 Ų | 49.3 | 4% | 0.037 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.6 | -39 | 177.9 | -78.2 | -7.8 | 0 | 0 | 0 | 112 | L473 A481 Y486 S488 K490 | L473-D477 PolarHBondContact O-N 2.67Å; D477-A481 VanDerWaalsContact O-CB 3.25Å; D477-A481 WeakPolarHBondContact O-CB 3.5Å; D477-A481 PolarHBondContact O-N 3.26Å; D477-Y486 WeakPolarHBondContact OD1-CE1 3.23Å; D477-Y486 PolarHBondContact OD1-OH 2.9Å; D477-S488 WeakPolarHBondContact OD1-CB 3.42Å; D477-S488 PolarHBondContact OD1-OG 2.92Å; D477-S488 PolarHBondContact OD2-OG 2.74Å; D477-K490 WeakPolarHBondContact OD2-CB 3.28Å |
| 478 | T | 88.4 | Confident | 87.5 | Confident | 111 Ų | 111 | 47.9 Ų | 47.9 | 68% | 0.681 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -71.3 | -43.3 | 179.3 | -54.6 | 0 | 0 | 0 | 0 | 112.2 | D474 S475 M476 | D474-T478 WeakPolarHBondContact O-CB 3.48Å; D474-T478 PolarHBondContact O-N 3.32Å; D474-T478 PolarHBondContact O-OG1 3.41Å; S475-T478 PolarHBondContact O-N 3.36Å; M476-T478 PolarHBondContact O-N 3.34Å |
| 479 | K | 87.6 | Confident | 87.5 | Confident | 102 Ų | 102 | 46.8 Ų | 46.8 | 44% | 0.443 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -80.6 | -29.9 | -176.5 | -72.8 | -178.3 | 177.5 | -174.7 | 0 | 113.4 | I456 E459 S475 M476 | I456-K479 HydrophobicContact CD1-CB 3.97Å; I456-K479 HydrophobicContact CD1-CD 3.76Å; I456-K479 HydrophobicContact CD1-CG 4.48Å; I456-K479 HydrophobicContact CG1-CD 3.81Å; E459-K479 IonicContact OE1-NZ 3.83Å; E459-K479 IonicContact OE2-NZ 3.87Å; E459-K479 PolarHBondContact OE2-NZ 3.48Å; S475-K479 PolarHBondContact O-N 3.47Å; S475-K479 VanDerWaalsContact O-N 3.07Å; M476-K479 PolarHBondContact O-N 3.43Å |
| 480 | L | 89.1 | Confident | 87.4 | Confident | 13 Ų | 13 | 50.1 Ų | 50.1 | 7% | 0.068 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -111.6 | 3.6 | -170.5 | -57.8 | 175.2 | 0 | 0 | 0 | 114.2 | L445 I453 I456 M476 Q482 H483 Y486 | L445-L480 HydrophobicContact CD1-CD1 3.98Å; L445-L480 HydrophobicContact CD1-CD2 3.78Å; L445-L480 HydrophobicContact CD1-CG 4.34Å; I453-L480 HydrophobicContact CD1-CD1 4.34Å; I453-L480 HydrophobicContact CG1-CD1 3.56Å; I456-L480 HydrophobicContact CD1-CD1 4.11Å; I456-L480 HydrophobicContact CD1-CG 4.19Å; M476-L480 HydrophobicContact CB-CD1 4.43Å; M476-L480 VanDerWaalsContact O-CB 3.27Å; M476-L480 WeakPolarHBondContact O-CB 3.39Å; M476-L480 PolarHBondContact O-N 3.28Å; L480-Q482 PolarHBondContact O-N 2.78Å; L480-H483 WeakPolarHBondContact O-CB 3.24Å; L480-H483 PolarHBondContact O-N 3.49Å; L480-Y486 HydrophobicContact CB-CD1 3.65Å; L480-Y486 HydrophobicContact CB-CD2 4.35Å; L480-Y486 HydrophobicContact CB-CE1 4.05Å; L480-Y486 HydrophobicContact CB-CG 3.83Å; L480-Y486 HydrophobicContact CD1-CD2 4.09Å; L480-Y486 HydrophobicContact CD1-CE2 4.23Å; L480-Y486 HydrophobicContact CD1-CG 4.39Å |
| 481 | A | 84.9 | Confident | 87.1 | Confident | 46 Ų | 46 | 50.8 Ų | 50.8 | 38% | 0.38 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.9 | -36.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | D477 L491 | D477-A481 VanDerWaalsContact O-CB 3.25Å; D477-A481 WeakPolarHBondContact O-CB 3.5Å; D477-A481 PolarHBondContact O-N 3.26Å; A481-L491 HydrophobicContact CB-CD1 4.39Å; A481-L491 HydrophobicContact CB-CD2 3.79Å |
| 482 | Q | 86.3 | Confident | 86.9 | Confident | 193 Ų | 193 | 49.1 Ų | 49.1 | 90% | 0.902 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -4.3 | -175 | -63 | -176.7 | 0.3 | 0 | 0 | 113.3 | L480 | L480-Q482 PolarHBondContact O-N 2.78Š|
| 483 | H | 89.3 | Confident | 86.3 | Confident | 47 Ų | 47 | 53.5 Ų | 53.5 | 22% | 0.218 | 29% | 0.291 | C | S | . | . | trans | -78.4 | 127.2 | -175.3 | -165.5 | -86.9 | 0 | 0 | 0 | 111.1 | L445 L480 H485 Y486 | L445-H483 HydrophobicContact CD1-CB 4.23Å; L480-H483 WeakPolarHBondContact O-CB 3.24Å; L480-H483 PolarHBondContact O-N 3.49Å; H483-H485 AromaticContact CE1-CD2 3.93Å; H483-H485 PolarHBondContact ND1-N 2.89Å; H483-H485 PolarHBondContact O-N 2.83Å; H483-Y486 PolarHBondContact O-N 3.18Å; H483-Y486 VanDerWaalsContact O-N 3.1Å | ||
| 484 | P | 88.4 | Confident | 85.8 | Confident | 87 Ų | 87 | 59.3 Ų | 59.3 | 57% | 0.565 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -18.3 | -172 | 22.4 | -31.6 | 0 | 0 | 0 | 114.6 | R507 | P484-R507 PolarHBondContact O-NH1 3.15Š|
| 485 | H | 89.6 | Confident | 85.3 | Confident | 23 Ų | 23 | 58.8 Ų | 58.8 | 11% | 0.106 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 3 | 179.4 | -65.1 | -93.1 | 0 | 0 | 0 | 114.4 | F437 L445 H483 I506 R507 | F437-H485 AromaticContact CZ-CE1 4Å; L445-H485 HydrophobicContact CD2-CB 4.05Å; H483-H485 AromaticContact CE1-CD2 3.93Å; H483-H485 PolarHBondContact ND1-N 2.89Å; H483-H485 PolarHBondContact O-N 2.83Å; H485-I506 CarbonylContact O-C 3.46Å; H485-I506 VanDerWaalsContact O-CA 3.28Å; H485-I506 WeakPolarHBondContact O-CA 3.41Å; H485-R507 HydrophobicContact CB-CB 4.22Å; H485-R507 PolarHBondContact ND1-O 2.84Å; H485-R507 PolarHBondContact O-N 2.92Å |
| 486 | Y | 92.8 | Very high | 84.7 | Confident | 11 Ų | 11 | 65 Ų | 65 | 4% | 0.043 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 134.5 | 178.6 | 178 | -93.4 | 0 | 0 | 0 | 110.6 | M476 D477 L480 H483 L491 F504 | M476-Y486 HydrophobicContact CB-CE2 4.41Å; M476-Y486 WeakPolarHBondContact CB-OH 3.38Å; D477-Y486 WeakPolarHBondContact OD1-CE1 3.23Å; D477-Y486 PolarHBondContact OD1-OH 2.9Å; L480-Y486 HydrophobicContact CB-CD1 3.65Å; L480-Y486 HydrophobicContact CB-CD2 4.35Å; L480-Y486 HydrophobicContact CB-CE1 4.05Å; L480-Y486 HydrophobicContact CB-CG 3.83Å; L480-Y486 HydrophobicContact CD1-CD2 4.09Å; L480-Y486 HydrophobicContact CD1-CE2 4.23Å; L480-Y486 HydrophobicContact CD1-CG 4.39Å; H483-Y486 PolarHBondContact O-N 3.18Å; H483-Y486 VanDerWaalsContact O-N 3.1Å; Y486-L491 HydrophobicContact CD1-CD1 3.92Å; Y486-L491 HydrophobicContact CE1-CD1 3.67Å; Y486-F504 HydrophobicContact CE2-CB 4.07Å; Y486-F504 HydrophobicContact CE2-CD2 4.08Å; Y486-F504 HydrophobicContact CE2-CG 4.36Å |
| 487 | T | 90.6 | Very high | 84.2 | Confident | 38 Ų | 38 | 69.7 Ų | 69.7 | 23% | 0.233 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 156.9 | 171.1 | -167 | 0 | 0 | 0 | 0 | 111.2 | M498 R505 | T487-M498 HydrophobicContact CG2-CE 4.17Å; T487-R505 HydrophobicContact CG2-CB 3.69Å; T487-R505 HydrophobicContact CG2-CG 3.98Å; T487-R505 PolarHBondContact N-O 3.05Å; T487-R505 PolarHBondContact O-N 3.09Å |
| 488 | S | 88.3 | Confident | 83.8 | Confident | 1 Ų | 1 | 69.4 Ų | 69.4 | 1% | 0.007 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 166.6 | 174.4 | 80.8 | 0 | 0 | 0 | 0 | 109.6 | D477 K490 L491 S492 | D477-S488 WeakPolarHBondContact OD1-CB 3.42Å; D477-S488 PolarHBondContact OD1-OG 2.92Å; D477-S488 PolarHBondContact OD2-OG 2.74Å; S488-K490 PolarHBondContact O-N 3.33Å; S488-K490 VanDerWaalsContact O-N 3.15Å; S488-K490 PolarHBondContact OG-N 2.97Å; S488-L491 PolarHBondContact O-N 2.88Å; S488-L491 VanDerWaalsContact O-N 3.1Å; S488-L491 PolarHBondContact OG-N 2.78Å; S488-S492 PolarHBondContact O-N 2.93Å |
| 489 | R | 82.2 | Confident | 83.3 | Confident | 48 Ų | 48 | 68.4 Ų | 68.4 | 18% | 0.181 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -25.5 | 176.5 | -172.1 | 57.5 | 171.3 | 138 | 14.7 | 113.1 | S492 P493 D495 M498 F500 | R489-S492 PolarHBondContact NH1-O 3.27Å; R489-S492 CarbonylContact O-C 3.44Å; R489-P493 PolarHBondContact NH1-O 2.89Å; R489-P493 PolarHBondContact NH2-O 3.29Å; R489-D495 WeakPolarHBondContact CD-O 3.42Å; R489-D495 VanDerWaalsContact CZ-O 3.22Å; R489-D495 PolarHBondContact NE-O 2.98Å; R489-D495 VanDerWaalsContact NH1-N 3.14Å; R489-D495 PolarHBondContact NH1-O 2.8Å; R489-M498 HydrophobicContact CB-CB 4.06Å; R489-M498 WeakPolarHBondContact CD-O 3.41Å; R489-M498 WeakPolarHBondContact CG-O 3.18Å; R489-M498 PolarHBondContact NE-O 3.14Å; R489-F500 HydrophobicContact CG-CB 4.01Å; R489-F500 HydrophobicContact CG-CD2 4.12Å |
| 490 | K | 82.1 | Confident | 82.9 | Confident | 102 Ų | 102 | 69.3 Ų | 69.3 | 44% | 0.443 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -38.9 | 176.5 | -170.2 | -178.2 | -175.1 | 178.9 | 0 | 111.9 | D474 D477 S488 F500 | D474-K490 IonicContact OD1-NZ 3.86Å; D474-K490 PolarHBondContact OD1-NZ 2.96Å; D477-K490 WeakPolarHBondContact OD2-CB 3.28Å; S488-K490 PolarHBondContact O-N 3.33Å; S488-K490 VanDerWaalsContact O-N 3.15Å; S488-K490 PolarHBondContact OG-N 2.97Å; K490-F500 HydrophobicContact CB-CE2 4.37Å |
| 491 | L | 80.5 | Confident | 82.3 | Confident | 70 Ų | 70 | 73.4 Ų | 73.4 | 37% | 0.366 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -30.4 | 178.8 | -64.5 | 172.1 | 0 | 0 | 0 | 112.7 | A481 Y486 S488 | A481-L491 HydrophobicContact CB-CD1 4.39Å; A481-L491 HydrophobicContact CB-CD2 3.79Å; Y486-L491 HydrophobicContact CD1-CD1 3.92Å; Y486-L491 HydrophobicContact CE1-CD1 3.67Å; S488-L491 PolarHBondContact O-N 2.88Å; S488-L491 VanDerWaalsContact O-N 3.1Å; S488-L491 PolarHBondContact OG-N 2.78Å |
| 492 | S | 79.6 | Confident | 82.2 | Confident | 33 Ų | 33 | 74.9 Ų | 74.9 | 23% | 0.231 | 38% | 0.383 | C | S | . | . | trans | -123.9 | 79.4 | 176.6 | -169.5 | 0 | 0 | 0 | 0 | 111.9 | S488 R489 T494 D495 | S488-S492 PolarHBondContact O-N 2.93Å; R489-S492 PolarHBondContact NH1-O 3.27Å; R489-S492 CarbonylContact O-C 3.44Å; S492-T494 PolarHBondContact O-N 3.33Å; S492-T494 VanDerWaalsContact O-N 3.11Å; S492-D495 PolarHBondContact O-N 2.84Å | ||
| 493 | P | 74.6 | Confident | 82.4 | Confident | 93 Ų | 93 | 67 Ų | 67 | 60% | 0.604 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -10.9 | -177.6 | -19.4 | 32.3 | 0 | 0 | 0 | 114.4 | R489 | R489-P493 PolarHBondContact NH1-O 2.89Å; R489-P493 PolarHBondContact NH2-O 3.29Å |
| 494 | T | 76.1 | Confident | 82.5 | Confident | 125 Ų | 125 | 64.8 Ų | 64.8 | 77% | 0.767 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -23.6 | 177 | 48.3 | 0 | 0 | 0 | 0 | 112.9 | S492 K496 | S492-T494 PolarHBondContact O-N 3.33Å; S492-T494 VanDerWaalsContact O-N 3.11Å; T494-K496 PolarHBondContact O-N 2.79Å |
| 495 | D | 75.9 | Confident | 82.6 | Confident | 36 Ų | 36 | 62.1 Ų | 62.1 | 19% | 0.193 | 32% | 0.315 | C | S | . | . | trans | -85.3 | 93.4 | -176.4 | -172.1 | -2.4 | 0 | 0 | 0 | 113.1 | R489 S492 T497 M498 R505 | R489-D495 WeakPolarHBondContact CD-O 3.42Å; R489-D495 VanDerWaalsContact CZ-O 3.22Å; R489-D495 PolarHBondContact NE-O 2.98Å; R489-D495 VanDerWaalsContact NH1-N 3.14Å; R489-D495 PolarHBondContact NH1-O 2.8Å; S492-D495 PolarHBondContact O-N 2.84Å; D495-T497 VanDerWaalsContact CG-OG1 3.23Å; D495-T497 PolarHBondContact O-N 2.96Å; D495-T497 WeakPolarHBondContact OD1-CB 3.22Å; D495-T497 WeakPolarHBondContact OD1-CG2 3.42Å; D495-T497 PolarHBondContact OD1-N 3.19Å; D495-T497 PolarHBondContact OD1-OG1 2.9Å; D495-T497 PolarHBondContact OD2-OG1 3.48Å; D495-M498 HydrophobicContact CB-CE 4.19Å; D495-R505 IonicContact OD2-CZ 3.82Å; D495-R505 IonicContact OD2-NH1 3.18Å; D495-R505 PolarHBondContact OD2-NH1 3.34Å; D495-R505 IonicContact OD2-NH2 2.71Å | ||
| 496 | K | 75.7 | Confident | 82.8 | Confident | 180 Ų | 180 | 61 Ų | 61 | 78% | 0.783 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -1.2 | -179.1 | -64.6 | -174.6 | -178.5 | -179.7 | 0 | 114.3 | T494 M498 | T494-K496 PolarHBondContact O-N 2.79Å; K496-M498 VanDerWaalsContact C-N 3.27Å |
| 497 | T | 77.3 | Confident | 82.6 | Confident | 97 Ų | 97 | 66.5 Ų | 66.5 | 60% | 0.595 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -10.9 | 178.7 | 66.5 | 0 | 0 | 0 | 0 | 113.2 | D495 R505 | D495-T497 VanDerWaalsContact CG-OG1 3.23Å; D495-T497 PolarHBondContact O-N 2.96Å; D495-T497 WeakPolarHBondContact OD1-CB 3.22Å; D495-T497 WeakPolarHBondContact OD1-CG2 3.42Å; D495-T497 PolarHBondContact OD1-N 3.19Å; D495-T497 PolarHBondContact OD1-OG1 2.9Å; D495-T497 PolarHBondContact OD2-OG1 3.48Å; T497-R505 PolarHBondContact OG1-NH2 3.29Å |
| 498 | M | 80 | Confident | 82.4 | Confident | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -113.2 | 141.7 | 177.5 | -63 | -175.4 | -72.7 | 0 | 0 | 111.7 | T487 R489 D495 K496 H503 R505 T514 | T487-M498 HydrophobicContact CG2-CE 4.17Å; R489-M498 HydrophobicContact CB-CB 4.06Å; R489-M498 WeakPolarHBondContact CD-O 3.41Å; R489-M498 WeakPolarHBondContact CG-O 3.18Å; R489-M498 PolarHBondContact NE-O 3.14Å; D495-M498 HydrophobicContact CB-CE 4.19Å; K496-M498 VanDerWaalsContact C-N 3.27Å; M498-H503 HydrophobicContact CB-CB 4.24Å; M498-R505 HydrophobicContact SD-CB 3.67Å; M498-T514 HydrophobicContact CG-CG2 4.01Å |
| 499 | D | 79.3 | Confident | 81.9 | Confident | 89 Ų | 89 | 67 Ų | 67 | 48% | 0.476 | 33% | 0.329 | S | S | . | . | trans | -84 | 139.1 | 176.1 | -70.8 | -35 | 0 | 0 | 0 | 111.6 | K502 H503 | D499-K502 HydrophobicContact CB-CB 3.92Å; D499-K502 HydrophobicContact CB-CD 4.42Å; D499-K502 PolarHBondContact O-N 3.3Å; D499-H503 PolarHBondContact N-ND1 3.21Å; D499-H503 PolarHBondContact O-N 2.99Å; D499-H503 IonicContact OD2-CE1 3.54Å; D499-H503 PolarHBondContact OD2-CE1 3.07Å; D499-H503 IonicContact OD2-ND1 3.49Å; D499-H503 IonicContact OD2-NE2 3.66Å | ||
| 500 | F | 77.6 | Confident | 81.4 | Confident | 122 Ų | 122 | 65.1 Ų | 65.1 | 54% | 0.535 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | 135.6 | -178.1 | -172.8 | -100.8 | 0 | 0 | 0 | 111 | R489 K490 K502 | R489-F500 HydrophobicContact CG-CB 4.01Å; R489-F500 HydrophobicContact CG-CD2 4.12Å; K490-F500 HydrophobicContact CB-CE2 4.37Å; F500-K502 PolarHBondContact O-N 3.44Å |
| 501 | Q | 78.1 | Confident | 81.4 | Confident | 98 Ų | 98 | 61.6 Ų | 61.6 | 46% | 0.458 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 11.2 | -177.3 | -75 | 176.7 | -16 | 0 | 0 | 115.9 | ||
| 502 | K | 82.6 | Confident | 81.6 | Confident | 77 Ų | 77 | 61.9 Ų | 61.9 | 34% | 0.335 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.8 | -40.6 | -178 | -163 | 179.9 | 176.5 | 159.3 | 0 | 112.7 | D499 F500 V517 E518 | D499-K502 HydrophobicContact CB-CB 3.92Å; D499-K502 HydrophobicContact CB-CD 4.42Å; D499-K502 PolarHBondContact O-N 3.3Å; F500-K502 PolarHBondContact O-N 3.44Å; K502-V517 WeakPolarHBondContact O-CG1 3.48Å; K502-V517 PolarHBondContact O-N 2.93Å; K502-E518 WeakPolarHBondContact CE-OE2 3.47Å; K502-E518 IonicContact NZ-OE2 2.79Å; K502-E518 PolarHBondContact NZ-OE2 3.16Å |
| 503 | H | 89.1 | Confident | 82.1 | Confident | 29 Ų | 29 | 60.3 Ų | 60.3 | 13% | 0.134 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 143 | -171.4 | -60 | 166.2 | 0 | 0 | 0 | 112.8 | M498 D499 T514 Y515 | M498-H503 HydrophobicContact CB-CB 4.24Å; D499-H503 PolarHBondContact N-ND1 3.21Å; D499-H503 PolarHBondContact O-N 2.99Å; D499-H503 IonicContact OD2-CE1 3.54Å; D499-H503 PolarHBondContact OD2-CE1 3.07Å; D499-H503 IonicContact OD2-ND1 3.49Å; D499-H503 IonicContact OD2-NE2 3.66Å; H503-T514 HydrophobicContact CB-CG2 3.75Å; H503-Y515 VanDerWaalsContact CA-O 3.29Å; H503-Y515 WeakPolarHBondContact CA-O 3.28Å |
| 504 | F | 91.4 | Very high | 82.8 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 159.8 | 163.2 | 68 | -84.6 | 0 | 0 | 0 | 109.5 | L473 Y486 I506 T514 Y515 F520 | L473-F504 HydrophobicContact CD1-CB 3.81Å; L473-F504 HydrophobicContact CD1-CD1 4.2Å; L473-F504 HydrophobicContact CD1-CG 4.37Å; Y486-F504 HydrophobicContact CE2-CB 4.07Å; Y486-F504 HydrophobicContact CE2-CD2 4.08Å; Y486-F504 HydrophobicContact CE2-CG 4.36Å; F504-I506 HydrophobicContact CD2-CD1 4.49Å; F504-I506 HydrophobicContact CD2-CG1 4.16Å; F504-I506 HydrophobicContact CE2-CD1 3.93Å; F504-I506 HydrophobicContact CE2-CG1 4.07Å; F504-T514 WeakPolarHBondContact O-CA 3.34Å; F504-Y515 HydrophobicContact CD2-CD2 4.2Å; F504-Y515 AromaticContact CE2-CD2 3.62Å; F504-Y515 HydrophobicContact CE2-CD2 3.62Å; F504-Y515 HydrophobicContact CE2-CG 4.02Å; F504-Y515 VanDerWaalsContact CZ-CB 3.46Å; F504-Y515 HydrophobicContact CZ-CD2 4.04Å; F504-Y515 AromaticContact CZ-CG 3.94Å; F504-Y515 HydrophobicContact CZ-CG 3.94Å; F504-Y515 PolarHBondContact N-O 3.35Å; F504-Y515 VanDerWaalsContact N-O 3.08Å; F504-Y515 PolarHBondContact O-N 2.92Å; F504-F520 HydrophobicContact CE1-CE2 4.33Å; F504-F520 HydrophobicContact CE1-CZ 4.32Å; F504-F520 HydrophobicContact CZ-CE2 4.31Å; F504-F520 AromaticContact CZ-CZ 3.96Å; F504-F520 HydrophobicContact CZ-CZ 3.96Å |
| 505 | R | 91.9 | Very high | 83.6 | Confident | 30 Ų | 30 | 51.6 Ų | 51.6 | 11% | 0.113 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 136.6 | -178.5 | 171.4 | -178.6 | -66 | 162.1 | 12.8 | 110.8 | T487 D495 T497 M498 D512 V513 T514 | T487-R505 HydrophobicContact CG2-CB 3.69Å; T487-R505 HydrophobicContact CG2-CG 3.98Å; T487-R505 PolarHBondContact N-O 3.05Å; T487-R505 PolarHBondContact O-N 3.09Å; D495-R505 IonicContact OD2-CZ 3.82Å; D495-R505 IonicContact OD2-NH1 3.18Å; D495-R505 PolarHBondContact OD2-NH1 3.34Å; D495-R505 IonicContact OD2-NH2 2.71Å; T497-R505 PolarHBondContact OG1-NH2 3.29Å; M498-R505 HydrophobicContact SD-CB 3.67Å; R505-D512 HydrophobicContact CG-CB 4.29Å; R505-V513 VanDerWaalsContact CA-O 3.24Å; R505-V513 WeakPolarHBondContact CA-O 3.37Å; R505-V513 WeakPolarHBondContact CG-O 3.29Å; R505-T514 PolarHBondContact NE-OG1 3.12Å; R505-T514 PolarHBondContact NH2-OG1 3.11Å; R505-T514 VanDerWaalsContact NH2-OG1 3.11Å |
| 506 | I | 92.6 | Very high | 84.2 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 130.8 | 172.4 | -57.7 | 176.5 | 0 | 0 | 0 | 108.2 | F399 I442 L445 I453 H485 F504 H508 V513 Y515 | F399-I506 HydrophobicContact CD2-CD1 4.02Å; F399-I506 HydrophobicContact CE2-CD1 3.7Å; I442-I506 HydrophobicContact CG2-CG2 4.48Å; L445-I506 HydrophobicContact CD2-CG2 4.09Å; I453-I506 HydrophobicContact CD1-CD1 3.61Å; I453-I506 HydrophobicContact CD1-CG1 4.4Å; H485-I506 CarbonylContact O-C 3.46Å; H485-I506 VanDerWaalsContact O-CA 3.28Å; H485-I506 WeakPolarHBondContact O-CA 3.41Å; F504-I506 HydrophobicContact CD2-CD1 4.49Å; F504-I506 HydrophobicContact CD2-CG1 4.16Å; F504-I506 HydrophobicContact CE2-CD1 3.93Å; F504-I506 HydrophobicContact CE2-CG1 4.07Å; I506-H508 PolarHBondContact O-CD2 3.01Å; I506-H508 PolarHBondContact O-N 3.49Å; I506-V513 PolarHBondContact N-O 3.12Å; I506-V513 PolarHBondContact O-N 3.33Å; I506-Y515 HydrophobicContact CB-CE2 4.12Å; I506-Y515 HydrophobicContact CD1-CD2 4.38Å; I506-Y515 HydrophobicContact CD1-CE2 4Å; I506-Y515 HydrophobicContact CG1-CD2 4.37Å; I506-Y515 HydrophobicContact CG1-CE2 4.12Å |
| 507 | R | 89.4 | Confident | 84.8 | Confident | 126 Ų | 126 | 41.9 Ų | 41.9 | 48% | 0.475 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 98.2 | 169.4 | -179.1 | 175.2 | -63.2 | 149.1 | -1.3 | 108.9 | P484 H485 D512 | P484-R507 PolarHBondContact O-NH1 3.15Å; H485-R507 HydrophobicContact CB-CB 4.22Å; H485-R507 PolarHBondContact ND1-O 2.84Å; H485-R507 PolarHBondContact O-N 2.92Å; R507-D512 WeakPolarHBondContact CA-OD1 3.24Å; R507-D512 VanDerWaalsContact CB-OD1 3.27Å; R507-D512 WeakPolarHBondContact CB-OD1 3.48Å; R507-D512 WeakPolarHBondContact CG-OD1 3.49Å; R507-D512 IonicContact NE-OD1 2.68Å; R507-D512 PolarHBondContact NE-OD1 3.38Å |
| 508 | H | 86.4 | Confident | 85.1 | Confident | 8 Ų | 8 | 43 Ų | 43 | 4% | 0.037 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 169.2 | 175.5 | -69.6 | -83.7 | 0 | 0 | 0 | 111.1 | F388 E406 I506 A510 G511 Y515 | F388-H508 HydrophobicContact CE2-CB 3.92Å; F388-H508 AromaticContact CE2-CG 3.98Å; F388-H508 HydrophobicContact CZ-CB 3.48Å; F388-H508 VanDerWaalsContact CZ-CB 3.48Å; F388-H508 AromaticContact CZ-CD2 3.89Å; F388-H508 AromaticContact CZ-CG 3.51Å; F388-H508 AromaticContact CZ-ND1 3.98Å; E406-H508 WeakPolarHBondContact OE1-CA 3.36Å; E406-H508 WeakPolarHBondContact OE1-CB 3.42Å; E406-H508 IonicContact OE1-CG 3.61Å; E406-H508 IonicContact OE1-ND1 3.98Å; E406-H508 PolarHBondContact OE1-ND1 3.46Å; I506-H508 PolarHBondContact O-CD2 3.01Å; I506-H508 PolarHBondContact O-N 3.49Å; H508-A510 HydrophobicContact CB-CB 4.33Å; H508-A510 PolarHBondContact O-N 3.44Å; H508-G511 WeakPolarHBondContact CB-O 3.4Å; H508-G511 PolarHBondContact N-O 3.18Å; H508-G511 PolarHBondContact O-N 3.02Å; H508-G511 VanDerWaalsContact O-N 3.16Å; H508-Y515 AromaticContact NE2-CE2 3.63Å; H508-Y515 AromaticContact NE2-CZ 3.66Å; H508-Y515 PolarHBondContact NE2-OH 2.93Å |
| 509 | Y | 77.9 | Confident | 85.2 | Confident | 42 Ų | 42 | 43.9 Ų | 43.9 | 17% | 0.165 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -28.4 | 170.2 | 82 | -68 | 0 | 0 | 0 | 112.4 | F388 E406 Q409 N439 Y613 | F388-Y509 AromaticContact CD2-CE1 3.89Å; F388-Y509 HydrophobicContact CD2-CE1 3.89Å; F388-Y509 HydrophobicContact CE2-CD1 4.42Å; F388-Y509 HydrophobicContact CE2-CE1 4.03Å; E406-Y509 HydrophobicContact CG-CD1 4.39Å; E406-Y509 VanDerWaalsContact OE1-CD1 3.31Å; E406-Y509 WeakPolarHBondContact OE1-CD1 3.42Å; E406-Y509 PolarHBondContact OE1-N 2.92Å; E406-Y509 WeakPolarHBondContact OE2-CD1 3.41Å; Q409-Y509 HydrophobicContact CB-CE1 4.48Å; Q409-Y509 HydrophobicContact CB-CE2 4.27Å; Q409-Y509 HydrophobicContact CG-CD2 4.05Å; Q409-Y509 HydrophobicContact CG-CE2 3.64Å; N439-Y509 WeakPolarHBondContact ND2-CB 3.3Å; Y509-Y613 WeakPolarHBondContact CE2-O 3.21Å; Y509-Y613 PolarHBondContact OH-O 3.17Å; Y509-Y613 VanDerWaalsContact OH-O 3.1Å |
| 510 | A | 71.8 | Confident | 85.5 | Confident | 9 Ų | 9 | 39.7 Ų | 39.7 | 7% | 0.074 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -22.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | F388 H508 Y613 | F388-A510 HydrophobicContact CD1-CB 3.59Å; F388-A510 HydrophobicContact CD2-CB 3.9Å; F388-A510 HydrophobicContact CE1-CB 3.39Å; F388-A510 HydrophobicContact CE2-CB 3.72Å; F388-A510 HydrophobicContact CG-CB 3.86Å; F388-A510 HydrophobicContact CZ-CB 3.48Å; F388-A510 VanDerWaalsContact CZ-CB 3.48Å; H508-A510 HydrophobicContact CB-CB 4.33Å; H508-A510 PolarHBondContact O-N 3.44Å; A510-Y613 VanDerWaalsContact CA-CB 3.49Å; A510-Y613 HydrophobicContact CB-CG 4.32Å |
| 511 | G | 80.7 | Confident | 85.7 | Confident | 27 Ų | 27 | 33.9 Ų | 33.9 | 28% | 0.278 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 134.3 | -177.8 | -168.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | H508 | H508-G511 WeakPolarHBondContact CB-O 3.4Å; H508-G511 PolarHBondContact N-O 3.18Å; H508-G511 PolarHBondContact O-N 3.02Å; H508-G511 VanDerWaalsContact O-N 3.16Å |
| 512 | D | 86.4 | Confident | 85.7 | Confident | 76 Ų | 76 | 33.5 Ų | 33.5 | 41% | 0.406 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 122.9 | -177.8 | -77 | -6.3 | 0 | 0 | 0 | 111 | R505 R507 | R505-D512 HydrophobicContact CG-CB 4.29Å; R507-D512 WeakPolarHBondContact CA-OD1 3.24Å; R507-D512 VanDerWaalsContact CB-OD1 3.27Å; R507-D512 WeakPolarHBondContact CB-OD1 3.48Å; R507-D512 WeakPolarHBondContact CG-OD1 3.49Å; R507-D512 IonicContact NE-OD1 2.68Å; R507-D512 PolarHBondContact NE-OD1 3.38Å |
| 513 | V | 88.2 | Confident | 85.6 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 128 | 177.8 | -173.6 | 0 | 0 | 0 | 0 | 110.3 | F388 I390 N394 R505 I506 Y515 | F388-V513 HydrophobicContact CE1-CG2 3.7Å; F388-V513 HydrophobicContact CZ-CG2 3.95Å; I390-V513 HydrophobicContact CD1-CG2 3.99Å; I390-V513 HydrophobicContact CG1-CG2 3.92Å; N394-V513 HydrophobicContact CB-CG1 4.31Å; R505-V513 VanDerWaalsContact CA-O 3.24Å; R505-V513 WeakPolarHBondContact CA-O 3.37Å; R505-V513 WeakPolarHBondContact CG-O 3.29Å; I506-V513 PolarHBondContact N-O 3.12Å; I506-V513 PolarHBondContact O-N 3.33Å; V513-Y515 HydrophobicContact CB-CE2 3.84Å; V513-Y515 HydrophobicContact CG1-CD1 4.37Å; V513-Y515 HydrophobicContact CG1-CD2 4.32Å; V513-Y515 HydrophobicContact CG1-CE1 3.77Å; V513-Y515 HydrophobicContact CG1-CE2 3.74Å; V513-Y515 VanDerWaalsContact CG1-CZ 3.43Å |
| 514 | T | 91 | Very high | 85.4 | Confident | 34 Ų | 34 | 32 Ų | 32 | 21% | 0.209 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 122.7 | 178 | -52.7 | 0 | 0 | 0 | 0 | 109.7 | N394 M498 H503 F504 R505 | N394-T514 WeakPolarHBondContact CB-O 3.32Å; N394-T514 PolarHBondContact ND2-O 2.96Å; M498-T514 HydrophobicContact CG-CG2 4.01Å; H503-T514 HydrophobicContact CB-CG2 3.75Å; F504-T514 WeakPolarHBondContact O-CA 3.34Å; R505-T514 PolarHBondContact NE-OG1 3.12Å; R505-T514 PolarHBondContact NH2-OG1 3.11Å; R505-T514 VanDerWaalsContact NH2-OG1 3.11Å |
| 515 | Y | 91.3 | Very high | 84.7 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 141.6 | -178.8 | -60.5 | -82.1 | 0 | 0 | 0 | 111.1 | N394 Q398 F399 N402 H503 F504 I506 H508 V513 | N394-Y515 HydrophobicContact CB-CD1 3.6Å; N394-Y515 HydrophobicContact CB-CE1 3.97Å; N394-Y515 HydrophobicContact CB-CG 4.4Å; N394-Y515 WeakPolarHBondContact O-CA 3.3Å; Q398-Y515 HydrophobicContact CB-CE1 4.28Å; F399-Y515 VanDerWaalsContact CA-CE1 3.49Å; F399-Y515 HydrophobicContact CB-CD1 3.87Å; F399-Y515 HydrophobicContact CB-CE1 3.71Å; F399-Y515 HydrophobicContact CD2-CE2 4.46Å; N402-Y515 WeakPolarHBondContact CB-OH 3.26Å; N402-Y515 PolarHBondContact ND2-OH 3.48Å; H503-Y515 VanDerWaalsContact CA-O 3.29Å; H503-Y515 WeakPolarHBondContact CA-O 3.28Å; F504-Y515 HydrophobicContact CD2-CD2 4.2Å; F504-Y515 AromaticContact CE2-CD2 3.62Å; F504-Y515 HydrophobicContact CE2-CD2 3.62Å; F504-Y515 HydrophobicContact CE2-CG 4.02Å; F504-Y515 VanDerWaalsContact CZ-CB 3.46Å; F504-Y515 HydrophobicContact CZ-CD2 4.04Å; F504-Y515 AromaticContact CZ-CG 3.94Å; F504-Y515 HydrophobicContact CZ-CG 3.94Å; F504-Y515 PolarHBondContact N-O 3.35Å; F504-Y515 VanDerWaalsContact N-O 3.08Å; F504-Y515 PolarHBondContact O-N 2.92Å; I506-Y515 HydrophobicContact CB-CE2 4.12Å; I506-Y515 HydrophobicContact CD1-CD2 4.38Å; I506-Y515 HydrophobicContact CD1-CE2 4Å; I506-Y515 HydrophobicContact CG1-CD2 4.37Å; I506-Y515 HydrophobicContact CG1-CE2 4.12Å; H508-Y515 AromaticContact NE2-CE2 3.63Å; H508-Y515 AromaticContact NE2-CZ 3.66Å; H508-Y515 PolarHBondContact NE2-OH 2.93Å; V513-Y515 HydrophobicContact CB-CE2 3.84Å; V513-Y515 HydrophobicContact CG1-CD1 4.37Å; V513-Y515 HydrophobicContact CG1-CD2 4.32Å; V513-Y515 HydrophobicContact CG1-CE1 3.77Å; V513-Y515 HydrophobicContact CG1-CE2 3.74Å; V513-Y515 VanDerWaalsContact CG1-CZ 3.43Å |
| 516 | S | 89.9 | Confident | 83.8 | Confident | 8 Ų | 8 | 36.4 Ų | 36.4 | 6% | 0.056 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 129.4 | 171 | -178.7 | 0 | 0 | 0 | 0 | 110.6 | N394 E518 F520 | N394-S516 PolarHBondContact O-N 2.89Å; S516-E518 WeakPolarHBondContact OG-CB 3.36Å; S516-E518 PolarHBondContact OG-N 3.48Å; S516-F520 VanDerWaalsContact O-CD2 3.29Å; S516-F520 WeakPolarHBondContact O-CD2 2.99Å |
| 517 | V | 87.3 | Confident | 82.9 | Confident | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.024 | 20% | 0.204 | C | C | . | . | trans | -80.6 | -5.9 | 175.1 | 81.6 | 0 | 0 | 0 | 0 | 112.5 | D469 L473 K502 G519 F520 | D469-V517 HydrophobicContact CB-CG1 4.07Å; D469-V517 HydrophobicContact CB-CG2 4.14Å; D469-V517 WeakPolarHBondContact CB-O 3.42Å; L473-V517 HydrophobicContact CB-CG1 4.34Å; L473-V517 HydrophobicContact CB-CG2 4.28Å; L473-V517 HydrophobicContact CD2-CG1 4.16Å; K502-V517 WeakPolarHBondContact O-CG1 3.48Å; K502-V517 PolarHBondContact O-N 2.93Å; V517-G519 PolarHBondContact O-N 3.15Å; V517-F520 HydrophobicContact CG2-CB 4.12Å; V517-F520 VanDerWaalsContact O-CB 3.28Å; V517-F520 WeakPolarHBondContact O-CB 3.26Å; V517-F520 PolarHBondContact O-N 3.08Å; V517-F520 VanDerWaalsContact O-N 3.12Å | ||
| 518 | E | 85 | Confident | 82.4 | Confident | 121 Ų | 121 | 35.7 Ų | 35.7 | 57% | 0.565 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | 118.9 | -178 | -168.3 | 172.8 | -175 | 0 | 0 | 111.6 | K502 S516 F520 | K502-E518 WeakPolarHBondContact CE-OE2 3.47Å; K502-E518 IonicContact NZ-OE2 2.79Å; K502-E518 PolarHBondContact NZ-OE2 3.16Å; S516-E518 WeakPolarHBondContact OG-CB 3.36Å; S516-E518 PolarHBondContact OG-N 3.48Å; E518-F520 PolarHBondContact O-N 3.15Å |
| 519 | G | 80.4 | Confident | 82.2 | Confident | 20 Ų | 20 | 36.1 Ų | 36.1 | 21% | 0.206 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 9.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | D469 V517 D522 K523 | D469-G519 WeakPolarHBondContact OD2-CA 3.35Å; D469-G519 PolarHBondContact OD2-N 3.37Å; V517-G519 PolarHBondContact O-N 3.15Å; G519-D522 PolarHBondContact O-N 3.42Å; G519-K523 WeakPolarHBondContact O-CB 3.38Å; G519-K523 WeakPolarHBondContact O-CG 3.29Å; G519-K523 PolarHBondContact O-N 3.08Å |
| 520 | F | 85.3 | Confident | 82.4 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 0% | 0.004 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.7 | -41.8 | -175.9 | -138.2 | -99.9 | 0 | 0 | 0 | 111.9 | F396 F399 L457 F504 S516 V517 E518 N524 | F396-F520 HydrophobicContact CB-CD2 3.84Å; F396-F520 HydrophobicContact CB-CE2 3.83Å; F396-F520 HydrophobicContact CB-CG 4.22Å; F396-F520 HydrophobicContact CB-CZ 4.19Å; F396-F520 AromaticContact CD2-CD1 3.73Å; F396-F520 HydrophobicContact CD2-CD1 3.73Å; F396-F520 HydrophobicContact CD2-CD2 4.5Å; F396-F520 AromaticContact CD2-CE1 3.56Å; F396-F520 HydrophobicContact CD2-CE1 3.56Å; F396-F520 HydrophobicContact CD2-CE2 4.36Å; F396-F520 HydrophobicContact CD2-CG 4.22Å; F396-F520 AromaticContact CD2-CZ 3.89Å; F396-F520 HydrophobicContact CD2-CZ 3.89Å; F396-F520 HydrophobicContact CE2-CE1 4.31Å; F396-F520 VanDerWaalsContact N-CE2 3.35Å; F399-F520 HydrophobicContact CB-CE2 4.44Å; F399-F520 HydrophobicContact CB-CZ 3.85Å; F399-F520 HydrophobicContact CD1-CE1 4.17Å; F399-F520 AromaticContact CD1-CZ 3.87Å; F399-F520 HydrophobicContact CD1-CZ 3.87Å; F399-F520 AromaticContact CG-CZ 3.83Å; F399-F520 HydrophobicContact CG-CZ 3.83Å; L457-F520 HydrophobicContact CD1-CD1 4.03Å; L457-F520 HydrophobicContact CD1-CE1 3.77Å; L457-F520 HydrophobicContact CD2-CD1 3.69Å; L457-F520 HydrophobicContact CD2-CE1 4.22Å; F504-F520 HydrophobicContact CE1-CE2 4.33Å; F504-F520 HydrophobicContact CE1-CZ 4.32Å; F504-F520 HydrophobicContact CZ-CE2 4.31Å; F504-F520 AromaticContact CZ-CZ 3.96Å; F504-F520 HydrophobicContact CZ-CZ 3.96Å; S516-F520 VanDerWaalsContact O-CD2 3.29Å; S516-F520 WeakPolarHBondContact O-CD2 2.99Å; V517-F520 HydrophobicContact CG2-CB 4.12Å; V517-F520 VanDerWaalsContact O-CB 3.28Å; V517-F520 WeakPolarHBondContact O-CB 3.26Å; V517-F520 PolarHBondContact O-N 3.08Å; V517-F520 VanDerWaalsContact O-N 3.12Å; E518-F520 PolarHBondContact O-N 3.15Å; F520-N524 WeakPolarHBondContact O-CB 3.35Å; F520-N524 PolarHBondContact O-N 3.1Å |
| 521 | L | 83.4 | Confident | 83 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.7 | -41.9 | 178.2 | -70.7 | 174.7 | 0 | 0 | 0 | 112.2 | L457 A460 V467 D469 C472 K523 N524 K525 | L457-L521 HydrophobicContact CD2-CD2 4.2Å; A460-L521 HydrophobicContact CB-CD2 3.69Å; V467-L521 HydrophobicContact CG1-CD1 4.09Å; D469-L521 VanDerWaalsContact OD1-CB 3.3Å; D469-L521 WeakPolarHBondContact OD1-CB 3.49Å; D469-L521 WeakPolarHBondContact OD1-CG 3.41Å; D469-L521 PolarHBondContact OD1-N 2.66Å; C472-L521 HydrophobicContact CB-CD1 4.09Å; C472-L521 HydrophobicContact CB-CD2 4.24Å; C472-L521 HydrophobicContact CB-CG 4.3Å; L521-K523 VanDerWaalsContact C-N 3.34Å; L521-N524 PolarHBondContact O-N 3.24Å; L521-K525 WeakPolarHBondContact O-CB 3.46Å; L521-K525 VanDerWaalsContact O-CG 3.31Å; L521-K525 WeakPolarHBondContact O-CG 3.2Å; L521-K525 PolarHBondContact O-N 3.23Å |
| 522 | D | 78.2 | Confident | 83.4 | Confident | 89 Ų | 89 | 35 Ų | 35 | 48% | 0.476 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -68.1 | -38.2 | -178.2 | -68.8 | -22.2 | 0 | 0 | 0 | 111.2 | G519 N524 K525 D526 | G519-D522 PolarHBondContact O-N 3.42Å; D522-N524 VanDerWaalsContact C-N 3.34Å; D522-K525 PolarHBondContact O-N 3.27Å; D522-K525 IonicContact OD1-NZ 4Å; D522-D526 PolarHBondContact O-N 3.46Å |
| 523 | K | 80.2 | Confident | 83.5 | Confident | 74 Ų | 74 | 33 Ų | 33 | 32% | 0.322 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -63.5 | -37.3 | 170.7 | -71.9 | 179.6 | 179.4 | -154.8 | 0 | 112.6 | S395 F396 E397 G519 L521 | S395-K523 PolarHBondContact OG-NZ 3.24Å; F396-K523 HydrophobicContact CB-CB 4.17Å; F396-K523 HydrophobicContact CB-CD 3.92Å; F396-K523 HydrophobicContact CD1-CB 3.96Å; F396-K523 HydrophobicContact CG-CB 4.13Å; E397-K523 IonicContact OE1-NZ 3.96Å; E397-K523 PolarHBondContact OE1-NZ 3.33Å; E397-K523 IonicContact OE2-NZ 3.03Å; E397-K523 PolarHBondContact OE2-NZ 3.15Å; G519-K523 WeakPolarHBondContact O-CB 3.38Å; G519-K523 WeakPolarHBondContact O-CG 3.29Å; G519-K523 PolarHBondContact O-N 3.08Å; L521-K523 VanDerWaalsContact C-N 3.34Å |
| 524 | N | 83.9 | Confident | 83.4 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -74.2 | -34.1 | 178 | -168.9 | 41.8 | 0 | 0 | 0 | 113.2 | F396 F520 L521 D522 T564 A565 A566 | F396-N524 HydrophobicContact CE2-CB 4.03Å; F396-N524 HydrophobicContact CZ-CB 4.16Å; F520-N524 WeakPolarHBondContact O-CB 3.35Å; F520-N524 PolarHBondContact O-N 3.1Å; L521-N524 PolarHBondContact O-N 3.24Å; D522-N524 VanDerWaalsContact C-N 3.34Å; N524-T564 WeakPolarHBondContact OD1-CB 3.32Å; N524-A565 PolarHBondContact O-N 2.95Å; N524-A566 WeakPolarHBondContact OD1-CB 3.33Å; N524-A566 PolarHBondContact OD1-N 3.02Å |
| 525 | K | 78 | Confident | 83.3 | Confident | 63 Ų | 63 | 35.3 Ų | 35.3 | 27% | 0.274 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -67.5 | -40.3 | 177.4 | -77 | 172.2 | -169.8 | 161.4 | 0 | 112.3 | C461 L521 D522 L527 | C461-K525 HydrophobicContact CB-CG 4.15Å; L521-K525 WeakPolarHBondContact O-CB 3.46Å; L521-K525 VanDerWaalsContact O-CG 3.31Å; L521-K525 WeakPolarHBondContact O-CG 3.2Å; L521-K525 PolarHBondContact O-N 3.23Å; D522-K525 PolarHBondContact O-N 3.27Å; D522-K525 IonicContact OD1-NZ 4Å; K525-L527 HydrophobicContact CB-CD1 3.94Å; K525-L527 HydrophobicContact CB-CG 4.1Å; K525-L527 HydrophobicContact CD-CD1 4.04Å; K525-L527 HydrophobicContact CG-CD1 4.43Å; K525-L527 PolarHBondContact O-N 3.07Å; K525-L527 VanDerWaalsContact O-N 3.1Å |
| 526 | D | 72.7 | Confident | 83.3 | Confident | 61 Ų | 61 | 35.3 Ų | 35.3 | 33% | 0.326 | 18% | 0.175 | S | C | . | . | trans | 45.1 | 47.3 | 175.5 | -169.6 | 45.1 | 0 | 0 | 0 | 113 | K188 D522 L528 A565 | K188-D526 VanDerWaalsContact CE-OD1 3.29Å; K188-D526 WeakPolarHBondContact CE-OD1 3.37Å; K188-D526 WeakPolarHBondContact CE-OD2 3.17Å; K188-D526 IonicContact NZ-OD1 2.76Å; K188-D526 PolarHBondContact NZ-OD1 2.98Å; K188-D526 IonicContact NZ-OD2 2.75Å; K188-D526 PolarHBondContact NZ-OD2 3.39Å; D522-D526 PolarHBondContact O-N 3.46Å; D526-L528 PolarHBondContact O-N 3.43Å; D526-A565 HydrophobicContact CB-CB 4.18Å | ||
| 527 | L | 72.8 | Confident | 83.3 | Confident | 73 Ų | 73 | 37.1 Ų | 37.1 | 38% | 0.382 | 18% | 0.181 | S | C | . | . | trans | -72.1 | 113.7 | -170.6 | -79.7 | 153.1 | 0 | 0 | 0 | 111.2 | F339 K525 | F339-L527 HydrophobicContact CE1-CB 4.35Å; K525-L527 HydrophobicContact CB-CD1 3.94Å; K525-L527 HydrophobicContact CB-CG 4.1Å; K525-L527 HydrophobicContact CD-CD1 4.04Å; K525-L527 HydrophobicContact CG-CD1 4.43Å; K525-L527 PolarHBondContact O-N 3.07Å; K525-L527 VanDerWaalsContact O-N 3.1Å | ||
| 528 | L | 80.4 | Confident | 83.4 | Confident | 37 Ų | 37 | 42.8 Ų | 42.8 | 19% | 0.194 | 21% | 0.211 | C | C | . | . | trans | -103.5 | 127 | 165.7 | -174.5 | 70 | 0 | 0 | 0 | 110.8 | F344 A347 D526 F532 K533 W548 | F344-L528 HydrophobicContact CB-CD1 4.45Å; A347-L528 HydrophobicContact CB-CD1 3.99Å; A347-L528 HydrophobicContact CB-CD2 3.75Å; A347-L528 HydrophobicContact CB-CG 4.44Å; D526-L528 PolarHBondContact O-N 3.43Å; L528-F532 HydrophobicContact CD1-CB 4.31Å; L528-F532 HydrophobicContact CD1-CD2 3.89Å; L528-K533 HydrophobicContact CD2-CG 3.93Å; L528-W548 HydrophobicContact CD2-CH2 3.62Å; L528-W548 HydrophobicContact CD2-CZ3 3.39Å | ||
| 529 | F | 82.3 | Confident | 83.7 | Confident | 17 Ų | 17 | 37.3 Ų | 37.3 | 8% | 0.075 | 19% | 0.186 | C | C | . | . | trans | -64.2 | 140.7 | 176.8 | -54.2 | -34.5 | 0 | 0 | 0 | 111.4 | R318 H332 F339 D531 F532 | R318-F529 HydrophobicContact CG-CD1 4.47Å; R318-F529 HydrophobicContact CG-CG 4.48Å; H332-F529 AromaticContact CE1-CD2 3.66Å; H332-F529 AromaticContact CE1-CE2 3.17Å; H332-F529 WeakPolarHBondContact CE1-CE2 3.5Å; H332-F529 AromaticContact CE1-CZ 3.63Å; H332-F529 AromaticContact NE2-CD2 3.63Å; H332-F529 AromaticContact NE2-CE2 3.47Å; H332-F529 WeakPolarHBondContact NE2-CE2 3.37Å; F339-F529 HydrophobicContact CD1-CZ 4.4Å; F529-D531 PolarHBondContact O-N 3.33Å; F529-F532 HydrophobicContact CB-CD2 3.93Å; F529-F532 HydrophobicContact CB-CE2 4.19Å; F529-F532 HydrophobicContact CD2-CD2 4.24Å; F529-F532 AromaticContact CD2-CE2 3.63Å; F529-F532 HydrophobicContact CD2-CE2 3.63Å; F529-F532 HydrophobicContact CD2-CZ 4.43Å; F529-F532 HydrophobicContact CE2-CE2 4.46Å; F529-F532 HydrophobicContact CG-CD2 4.49Å; F529-F532 HydrophobicContact CG-CE2 4.31Å; F529-F532 PolarHBondContact O-N 2.87Å | ||
| 530 | Q | 81.4 | Confident | 84.2 | Confident | 30 Ų | 30 | 41.1 Ų | 41.1 | 14% | 0.14 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.8 | -27.1 | -176.5 | -165.4 | 68 | 10.1 | 0 | 0 | 111.8 | F532 K533 R534 D550 | Q530-F532 VanDerWaalsContact C-N 3.33Å; Q530-F532 PolarHBondContact O-N 3.14Å; Q530-K533 PolarHBondContact O-N 2.93Å; Q530-R534 PolarHBondContact O-N 2.77Å; Q530-R534 VanDerWaalsContact O-N 3.15Å; Q530-D550 PolarHBondContact NE2-O 3.41Å |
| 531 | D | 84.9 | Confident | 84.4 | Confident | 23 Ų | 23 | 41.4 Ų | 41.4 | 12% | 0.123 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.6 | -41.5 | 177.4 | -57.3 | -64.4 | 0 | 0 | 0 | 111.8 | R318 T319 F529 K533 R534 L535 | R318-D531 WeakPolarHBondContact CA-OD2 3.46Å; T319-D531 WeakPolarHBondContact CB-OD1 3.39Å; T319-D531 PolarHBondContact N-OD2 2.98Å; T319-D531 PolarHBondContact OG1-OD1 3.44Å; F529-D531 PolarHBondContact O-N 3.33Å; D531-K533 PolarHBondContact O-N 2.81Å; D531-R534 PolarHBondContact O-N 2.84Å; D531-L535 WeakPolarHBondContact O-CB 3.46Å; D531-L535 PolarHBondContact O-N 3.45Å |
| 532 | F | 88.6 | Confident | 84.8 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.009 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.8 | -38.9 | 175.7 | -66.3 | -50.2 | 0 | 0 | 0 | 113 | G314 L315 G340 F344 L528 F529 Q530 R534 L535 M536 | G314-F532 WeakPolarHBondContact O-CE1 3.46Å; G314-F532 WeakPolarHBondContact O-CZ 3.08Å; L315-F532 HydrophobicContact CD2-CE1 3.92Å; L315-F532 HydrophobicContact CD2-CZ 4.05Å; L315-F532 HydrophobicContact CG-CE1 4.4Å; G340-F532 WeakPolarHBondContact O-CE2 3.3Å; F344-F532 HydrophobicContact CB-CD1 4.3Å; F344-F532 HydrophobicContact CB-CD2 3.96Å; F344-F532 HydrophobicContact CB-CE1 4.34Å; F344-F532 HydrophobicContact CB-CE2 3.99Å; F344-F532 HydrophobicContact CB-CG 4.13Å; F344-F532 HydrophobicContact CB-CZ 4.2Å; F344-F532 AromaticContact CD1-CD1 3.88Å; F344-F532 HydrophobicContact CD1-CD1 3.88Å; F344-F532 HydrophobicContact CD1-CE1 4.02Å; F344-F532 HydrophobicContact CD1-CG 4.4Å; F344-F532 HydrophobicContact CD2-CB 3.68Å; F344-F532 HydrophobicContact CD2-CD1 4.01Å; F344-F532 HydrophobicContact CD2-CD2 4.34Å; F344-F532 AromaticContact CD2-CG 3.77Å; F344-F532 HydrophobicContact CD2-CG 3.77Å; F344-F532 HydrophobicContact CE1-CD1 4.18Å; F344-F532 HydrophobicContact CE2-CB 3.91Å; F344-F532 HydrophobicContact CE2-CD1 4.3Å; F344-F532 HydrophobicContact CE2-CG 4.28Å; F344-F532 HydrophobicContact CG-CB 4.29Å; F344-F532 AromaticContact CG-CD1 3.8Å; F344-F532 HydrophobicContact CG-CD1 3.8Å; F344-F532 HydrophobicContact CG-CD2 4.21Å; F344-F532 HydrophobicContact CG-CE1 4.15Å; F344-F532 AromaticContact CG-CG 3.85Å; F344-F532 HydrophobicContact CG-CG 3.85Å; F344-F532 HydrophobicContact CZ-CD1 4.38Å; L528-F532 HydrophobicContact CD1-CB 4.31Å; L528-F532 HydrophobicContact CD1-CD2 3.89Å; F529-F532 HydrophobicContact CB-CD2 3.93Å; F529-F532 HydrophobicContact CB-CE2 4.19Å; F529-F532 HydrophobicContact CD2-CD2 4.24Å; F529-F532 AromaticContact CD2-CE2 3.63Å; F529-F532 HydrophobicContact CD2-CE2 3.63Å; F529-F532 HydrophobicContact CD2-CZ 4.43Å; F529-F532 HydrophobicContact CE2-CE2 4.46Å; F529-F532 HydrophobicContact CG-CD2 4.49Å; F529-F532 HydrophobicContact CG-CE2 4.31Å; F529-F532 PolarHBondContact O-N 2.87Å; Q530-F532 VanDerWaalsContact C-N 3.33Å; Q530-F532 PolarHBondContact O-N 3.14Å; F532-R534 VanDerWaalsContact C-N 3.31Å; F532-R534 PolarHBondContact O-N 3.32Å; F532-L535 PolarHBondContact O-N 3.03Å; F532-M536 WeakPolarHBondContact O-CG 3.48Å; F532-M536 PolarHBondContact O-N 3.22Å; F532-M536 VanDerWaalsContact O-N 3.13Å |
| 533 | K | 88.1 | Confident | 85.4 | Confident | 34 Ų | 34 | 42.2 Ų | 42.2 | 15% | 0.148 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.4 | -40.7 | 177.7 | -54.5 | -173.3 | -168.1 | 161.5 | 0 | 111.3 | L528 Q530 D531 Y537 W548 D550 | L528-K533 HydrophobicContact CD2-CG 3.93Å; Q530-K533 PolarHBondContact O-N 2.93Å; D531-K533 PolarHBondContact O-N 2.81Å; K533-Y537 WeakPolarHBondContact O-CB 3.29Å; K533-Y537 PolarHBondContact O-N 3.14Å; K533-W548 HydrophobicContact CB-CE3 4.04Å; K533-W548 HydrophobicContact CB-CZ3 4.41Å; K533-W548 HydrophobicContact CG-CE3 3.93Å; K533-W548 HydrophobicContact CG-CZ3 3.85Å; K533-D550 HydrophobicContact CD-CB 4.25Å |
| 534 | R | 86.2 | Confident | 85.9 | Confident | 66 Ų | 66 | 38.7 Ų | 38.7 | 25% | 0.249 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -70.3 | -43.4 | 178.2 | -73.1 | 171.3 | 164 | -144.9 | -13.6 | 112.4 | Q530 D531 F532 M536 Y537 N538 L553 | Q530-R534 PolarHBondContact O-N 2.77Å; Q530-R534 VanDerWaalsContact O-N 3.15Å; D531-R534 PolarHBondContact O-N 2.84Å; F532-R534 VanDerWaalsContact C-N 3.31Å; F532-R534 PolarHBondContact O-N 3.32Å; R534-M536 VanDerWaalsContact C-N 3.28Å; R534-M536 PolarHBondContact O-N 2.66Å; R534-Y537 PolarHBondContact O-N 2.91Å; R534-N538 WeakPolarHBondContact O-CB 3.29Å; R534-N538 PolarHBondContact O-N 3.48Å; R534-N538 PolarHBondContact O-ND2 3.29Å; R534-L553 PolarHBondContact NH2-O 3.18Å |
| 535 | L | 89.3 | Confident | 86.3 | Confident | 17 Ų | 17 | 43.2 Ų | 43.2 | 9% | 0.089 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -54.2 | -47.7 | 176.5 | 179.6 | 66.6 | 0 | 0 | 0 | 110.7 | T306 V311 D531 F532 S539 | T306-L535 HydrophobicContact CG2-CD1 4.34Å; T306-L535 HydrophobicContact CG2-CG 4.48Å; V311-L535 HydrophobicContact CB-CD2 4.46Å; V311-L535 HydrophobicContact CG2-CD1 4.2Å; V311-L535 HydrophobicContact CG2-CD2 4.11Å; D531-L535 WeakPolarHBondContact O-CB 3.46Å; D531-L535 PolarHBondContact O-N 3.45Å; F532-L535 PolarHBondContact O-N 3.03Å; L535-S539 PolarHBondContact O-N 3.15Å |
| 536 | M | 92 | Very high | 86.9 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -74.6 | -35.4 | -179.7 | -63.5 | -65.7 | 99.4 | 0 | 0 | 113.6 | T304 T306 F344 L348 F532 R534 N538 S539 L544 W548 | T304-M536 HydrophobicContact CG2-CE 4.21Å; T304-M536 HydrophobicContact CG2-SD 4.3Å; T306-M536 HydrophobicContact CG2-CE 4.01Å; F344-M536 HydrophobicContact CE2-CG 3.76Å; F344-M536 HydrophobicContact CE2-SD 4.23Å; F344-M536 HydrophobicContact CZ-CE 3.78Å; F344-M536 HydrophobicContact CZ-CG 3.83Å; F344-M536 HydrophobicContact CZ-SD 3.75Å; L348-M536 HydrophobicContact CD2-CG 4.31Å; L348-M536 HydrophobicContact CD2-SD 3.9Å; F532-M536 WeakPolarHBondContact O-CG 3.48Å; F532-M536 PolarHBondContact O-N 3.22Å; F532-M536 VanDerWaalsContact O-N 3.13Å; R534-M536 VanDerWaalsContact C-N 3.28Å; R534-M536 PolarHBondContact O-N 2.66Å; M536-N538 PolarHBondContact O-N 3.35Å; M536-S539 WeakPolarHBondContact O-CB 3.34Å; M536-S539 PolarHBondContact O-N 2.84Å; M536-S539 VanDerWaalsContact O-N 3.15Å; M536-L544 HydrophobicContact SD-CD1 4.42Å; M536-L544 HydrophobicContact SD-CD2 4.1Å; M536-W548 HydrophobicContact CB-CB 4.17Å; M536-W548 HydrophobicContact CB-CD2 3.9Å; M536-W548 HydrophobicContact CB-CG 3.52Å; M536-W548 HydrophobicContact CG-CD2 4.32Å; M536-W548 HydrophobicContact CG-CG 4.4Å; M536-W548 HydrophobicContact CG-CZ2 4.21Å |
| 537 | Y | 89.4 | Confident | 87.7 | Confident | 46 Ų | 46 | 43.4 Ų | 43.4 | 18% | 0.18 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.1 | -32.1 | 174.5 | -177.7 | -103.3 | 0 | 0 | 0 | 112.8 | K533 R534 S539 K545 W548 Q552 | K533-Y537 WeakPolarHBondContact O-CB 3.29Å; K533-Y537 PolarHBondContact O-N 3.14Å; R534-Y537 PolarHBondContact O-N 2.91Å; Y537-S539 VanDerWaalsContact C-N 3.3Å; Y537-K545 HydrophobicContact CD2-CG 4.09Å; Y537-K545 HydrophobicContact CE2-CG 4.18Å; Y537-K545 WeakPolarHBondContact O-CD 3.39Å; Y537-K545 VanDerWaalsContact O-CG 3.3Å; Y537-K545 WeakPolarHBondContact O-CG 3.22Å; Y537-W548 WeakPolarHBondContact CD2-O 3.47Å; Y537-Q552 HydrophobicContact CE1-CB 4.02Å; Y537-Q552 HydrophobicContact CE1-CG 4.35Å; Y537-Q552 HydrophobicContact CE2-CB 4.27Å |
| 538 | N | 89.3 | Confident | 88.5 | Confident | 123 Ų | 123 | 40 Ų | 40 | 66% | 0.658 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | 4.3 | 177.1 | -68 | -28.4 | 0 | 0 | 0 | 113.7 | R534 M536 | R534-N538 WeakPolarHBondContact O-CB 3.29Å; R534-N538 PolarHBondContact O-N 3.48Å; R534-N538 PolarHBondContact O-ND2 3.29Å; M536-N538 PolarHBondContact O-N 3.35Å |
| 539 | S | 91.2 | Very high | 88.8 | Confident | 6 Ų | 6 | 41.3 Ų | 41.3 | 4% | 0.042 | 22% | 0.218 | C | C | . | . | trans | -60.9 | 145.4 | 172 | 174.6 | 0 | 0 | 0 | 0 | 111.2 | T304 L535 M536 Y537 N541 | T304-S539 WeakPolarHBondContact O-CB 3.24Å; T304-S539 PolarHBondContact O-OG 3.42Å; L535-S539 PolarHBondContact O-N 3.15Å; M536-S539 WeakPolarHBondContact O-CB 3.34Å; M536-S539 PolarHBondContact O-N 2.84Å; M536-S539 VanDerWaalsContact O-N 3.15Å; Y537-S539 VanDerWaalsContact C-N 3.3Å; S539-N541 PolarHBondContact O-N 2.93Å; S539-N541 WeakPolarHBondContact OG-CB 3.48Å; S539-N541 PolarHBondContact OG-N 2.94Å | ||
| 540 | S | 90.6 | Very high | 88.7 | Confident | 100 Ų | 100 | 43.2 Ų | 43.2 | 70% | 0.699 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -75.5 | -11.4 | 170.7 | -59.4 | 0 | 0 | 0 | 0 | 112.8 | T305 P542 | T305-S540 PolarHBondContact O-N 3.44Å; T305-S540 VanDerWaalsContact O-N 3.13Å; S540-P542 WeakPolarHBondContact O-CD 3.37Å |
| 541 | N | 90.3 | Very high | 88.5 | Confident | 7 Ų | 7 | 42.1 Ų | 42.1 | 4% | 0.037 | 23% | 0.226 | C | C | . | . | trans | -78.2 | 117.3 | 175.3 | -174.6 | -29 | 0 | 0 | 0 | 109.8 | S266 S539 V543 L544 K545 | S266-N541 PolarHBondContact OG-ND2 2.74Å; S266-N541 PolarHBondContact OG-OD1 2.94Å; S539-N541 PolarHBondContact O-N 2.93Å; S539-N541 WeakPolarHBondContact OG-CB 3.48Å; S539-N541 PolarHBondContact OG-N 2.94Å; N541-V543 VanDerWaalsContact C-N 3.26Å; N541-V543 PolarHBondContact O-N 3.17Å; N541-V543 WeakPolarHBondContact OD1-CB 3.39Å; N541-V543 PolarHBondContact OD1-N 2.6Å; N541-L544 HydrophobicContact CB-CB 4.16Å; N541-L544 HydrophobicContact CB-CD1 4.14Å; N541-L544 HydrophobicContact CB-CG 4.39Å; N541-L544 PolarHBondContact O-N 3.17Å; N541-K545 PolarHBondContact O-N 3.35Å | ||
| 542 | P | 90.6 | Very high | 88.1 | Confident | 97 Ų | 97 | 47.9 Ų | 47.9 | 63% | 0.63 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -62.2 | -34.3 | -176.1 | 25.1 | -34 | 0 | 0 | 0 | 112.7 | S540 K545 E546 | S540-P542 WeakPolarHBondContact O-CD 3.37Å; P542-K545 PolarHBondContact O-N 2.84Å; P542-E546 WeakPolarHBondContact O-CB 3.5Å; P542-E546 PolarHBondContact O-N 2.92Å |
| 543 | V | 91.6 | Very high | 87.4 | Confident | 9 Ų | 9 | 51.8 Ų | 51.8 | 6% | 0.055 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.3 | -43.3 | -179.7 | 177.1 | 0 | 0 | 0 | 0 | 110.3 | E263 W355 N541 M547 | E263-V543 HydrophobicContact CG-CG2 4.41Å; W355-V543 HydrophobicContact CD2-CG1 3.94Å; W355-V543 HydrophobicContact CE3-CG1 4.04Å; W355-V543 HydrophobicContact CH2-CG1 3.82Å; W355-V543 HydrophobicContact CH2-CG2 4.21Å; W355-V543 HydrophobicContact CZ2-CB 4.35Å; W355-V543 HydrophobicContact CZ2-CG1 3.68Å; W355-V543 HydrophobicContact CZ2-CG2 3.96Å; W355-V543 HydrophobicContact CZ3-CG1 3.98Å; N541-V543 VanDerWaalsContact C-N 3.26Å; N541-V543 PolarHBondContact O-N 3.17Å; N541-V543 WeakPolarHBondContact OD1-CB 3.39Å; N541-V543 PolarHBondContact OD1-N 2.6Å; V543-M547 HydrophobicContact CB-CE 4.45Å; V543-M547 HydrophobicContact CG1-CE 3.25Å; V543-M547 WeakPolarHBondContact O-CE 3.16Å; V543-M547 WeakPolarHBondContact O-CG 3.4Å; V543-M547 PolarHBondContact O-N 3.45Å |
| 544 | L | 90.5 | Very high | 86.2 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.4 | -48.6 | 173.3 | -81.7 | 172.4 | 0 | 0 | 0 | 111 | I270 T304 L348 M536 N541 E546 M547 | I270-L544 HydrophobicContact CD1-CD2 3.66Å; I270-L544 HydrophobicContact CD1-CG 3.94Å; I270-L544 HydrophobicContact CG1-CD1 4.46Å; I270-L544 HydrophobicContact CG1-CD2 3.8Å; I270-L544 HydrophobicContact CG1-CG 4.11Å; T304-L544 HydrophobicContact CG2-CD1 4.2Å; T304-L544 WeakPolarHBondContact O-CD1 3.44Å; L348-L544 HydrophobicContact CD2-CD2 4.25Å; M536-L544 HydrophobicContact SD-CD1 4.42Å; M536-L544 HydrophobicContact SD-CD2 4.1Å; N541-L544 HydrophobicContact CB-CB 4.16Å; N541-L544 HydrophobicContact CB-CD1 4.14Å; N541-L544 HydrophobicContact CB-CG 4.39Å; N541-L544 PolarHBondContact O-N 3.17Å; L544-E546 VanDerWaalsContact C-N 3.27Å; L544-E546 PolarHBondContact O-N 2.75Å; L544-M547 WeakPolarHBondContact O-CB 3.37Å; L544-M547 PolarHBondContact O-N 2.87Å |
| 545 | K | 91.4 | Very high | 85.1 | Confident | 95 Ų | 95 | 50.4 Ų | 50.4 | 41% | 0.413 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -55.8 | -42.6 | 179.9 | 177.6 | 168.5 | -176.2 | 179.3 | 0 | 112.9 | Y537 N541 P542 M547 W548 | Y537-K545 HydrophobicContact CD2-CG 4.09Å; Y537-K545 HydrophobicContact CE2-CG 4.18Å; Y537-K545 WeakPolarHBondContact O-CD 3.39Å; Y537-K545 VanDerWaalsContact O-CG 3.3Å; Y537-K545 WeakPolarHBondContact O-CG 3.22Å; N541-K545 PolarHBondContact O-N 3.35Å; P542-K545 PolarHBondContact O-N 2.84Å; K545-M547 VanDerWaalsContact C-N 3.33Å; K545-M547 PolarHBondContact O-N 3.07Å; K545-W548 PolarHBondContact O-N 2.81Å |
| 546 | E | 90.8 | Very high | 83.6 | Confident | 120 Ų | 120 | 52.9 Ų | 52.9 | 56% | 0.561 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -63.9 | -33.9 | 177.9 | -172 | -177.7 | -174.9 | 0 | 0 | 113 | W355 P542 L544 W548 P549 | W355-E546 PolarHBondContact NE1-OE2 3.12Å; P542-E546 WeakPolarHBondContact O-CB 3.5Å; P542-E546 PolarHBondContact O-N 2.92Å; L544-E546 VanDerWaalsContact C-N 3.27Å; L544-E546 PolarHBondContact O-N 2.75Å; E546-W548 PolarHBondContact O-N 3.38Å; E546-P549 WeakPolarHBondContact O-CD 3.31Å |
| 547 | M | 90.9 | Very high | 82.1 | Confident | 9 Ų | 9 | 59.1 Ų | 59.1 | 4% | 0.044 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.8 | -21.6 | 177.7 | -74.7 | -179.5 | -143.6 | 0 | 0 | 114 | I270 R351 L352 W355 V543 L544 K545 P549 | I270-M547 HydrophobicContact CD1-CE 3.52Å; I270-M547 HydrophobicContact CD1-SD 4.22Å; R351-M547 HydrophobicContact CB-CB 4.2Å; R351-M547 HydrophobicContact CB-CG 4.46Å; R351-M547 HydrophobicContact CB-SD 4.36Å; R351-M547 PolarHBondContact NH1-O 3.23Å; L352-M547 HydrophobicContact CB-SD 4.34Å; L352-M547 HydrophobicContact CD1-CE 3.88Å; W355-M547 HydrophobicContact CB-CE 4.06Å; W355-M547 HydrophobicContact CB-CG 3.78Å; W355-M547 HydrophobicContact CB-SD 4.32Å; W355-M547 HydrophobicContact CD2-CE 4.05Å; W355-M547 HydrophobicContact CE3-CE 4.24Å; W355-M547 HydrophobicContact CG-CE 3.95Å; W355-M547 HydrophobicContact CG-CG 4Å; V543-M547 HydrophobicContact CB-CE 4.45Å; V543-M547 HydrophobicContact CG1-CE 3.25Å; V543-M547 WeakPolarHBondContact O-CE 3.16Å; V543-M547 WeakPolarHBondContact O-CG 3.4Å; V543-M547 PolarHBondContact O-N 3.45Å; L544-M547 WeakPolarHBondContact O-CB 3.37Å; L544-M547 PolarHBondContact O-N 2.87Å; K545-M547 VanDerWaalsContact C-N 3.33Å; K545-M547 PolarHBondContact O-N 3.07Å; M547-P549 WeakPolarHBondContact O-CD 3.34Å |
| 548 | W | 89.9 | Confident | 80.6 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 33% | 0.328 | C | S | . | . | trans | -123.3 | 52.1 | -168.6 | -62.3 | 96.4 | 0 | 0 | 0 | 114.2 | F344 A347 L348 R351 L528 K533 M536 Y537 K545 E546 D550 G551 | F344-W548 HydrophobicContact CE2-CZ2 4.25Å; A347-W548 HydrophobicContact CB-CH2 3.76Å; L348-W548 HydrophobicContact CD2-CZ2 3.94Å; L348-W548 HydrophobicContact CG-CZ2 4.31Å; R351-W548 HydrophobicContact CG-CH2 4.31Å; R351-W548 HydrophobicContact CG-CZ2 4.24Å; L528-W548 HydrophobicContact CD2-CH2 3.62Å; L528-W548 HydrophobicContact CD2-CZ3 3.39Å; K533-W548 HydrophobicContact CB-CE3 4.04Å; K533-W548 HydrophobicContact CB-CZ3 4.41Å; K533-W548 HydrophobicContact CG-CE3 3.93Å; K533-W548 HydrophobicContact CG-CZ3 3.85Å; M536-W548 HydrophobicContact CB-CB 4.17Å; M536-W548 HydrophobicContact CB-CD2 3.9Å; M536-W548 HydrophobicContact CB-CG 3.52Å; M536-W548 HydrophobicContact CG-CD2 4.32Å; M536-W548 HydrophobicContact CG-CG 4.4Å; M536-W548 HydrophobicContact CG-CZ2 4.21Å; Y537-W548 WeakPolarHBondContact CD2-O 3.47Å; K545-W548 PolarHBondContact O-N 2.81Å; E546-W548 PolarHBondContact O-N 3.38Å; W548-D550 PolarHBondContact O-N 3.25Å; W548-G551 PolarHBondContact O-N 3.12Å | ||
| 549 | P | 85.2 | Confident | 78.8 | Confident | 65 Ų | 65 | 59.5 Ų | 59.5 | 42% | 0.422 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -62.2 | -29.7 | -177.9 | 28.4 | -35.2 | 0 | 0 | 0 | 112.5 | E546 M547 G551 Q552 | E546-P549 WeakPolarHBondContact O-CD 3.31Å; M547-P549 WeakPolarHBondContact O-CD 3.34Å; P549-G551 PolarHBondContact O-N 3Å; P549-G551 VanDerWaalsContact O-N 3.07Å; P549-Q552 WeakPolarHBondContact O-CB 3.37Å; P549-Q552 PolarHBondContact O-N 2.79Å |
| 550 | D | 80.1 | Confident | 77.1 | Confident | 58 Ų | 58 | 68.2 Ų | 68.2 | 31% | 0.31 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -61.2 | -17.6 | 178 | -49.2 | -35 | 0 | 0 | 0 | 113.2 | R351 Q530 K533 W548 Q552 | R351-D550 IonicContact CZ-OD2 2.68Å; R351-D550 IonicContact NH1-OD2 2.65Å; R351-D550 PolarHBondContact NH1-OD2 3.32Å; R351-D550 IonicContact NH2-OD2 3.7Å; R351-D550 PolarHBondContact NH2-OD2 2.88Å; Q530-D550 PolarHBondContact NE2-O 3.41Å; K533-D550 HydrophobicContact CD-CB 4.25Å; W548-D550 PolarHBondContact O-N 3.25Å; D550-Q552 PolarHBondContact O-N 3.2Å |
| 551 | G | 77.9 | Confident | 75.8 | Confident | 7 Ų | 7 | 71.3 Ų | 71.3 | 7% | 0.072 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -70.6 | -16.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114 | W548 P549 L553 | W548-G551 PolarHBondContact O-N 3.12Å; P549-G551 PolarHBondContact O-N 3Å; P549-G551 VanDerWaalsContact O-N 3.07Å; G551-L553 VanDerWaalsContact C-N 3.34Å |
| 552 | Q | 77.4 | Confident | 74.7 | Confident | 144 Ų | 144 | 75.6 Ų | 75.6 | 67% | 0.673 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -69.4 | -28.5 | 178.4 | -171.9 | 178.2 | 7.5 | 0 | 0 | 113.2 | Y537 P549 D550 | Y537-Q552 HydrophobicContact CE1-CB 4.02Å; Y537-Q552 HydrophobicContact CE1-CG 4.35Å; Y537-Q552 HydrophobicContact CE2-CB 4.27Å; P549-Q552 WeakPolarHBondContact O-CB 3.37Å; P549-Q552 PolarHBondContact O-N 2.79Å; D550-Q552 PolarHBondContact O-N 3.2Å |
| 553 | L | 73.6 | Confident | 73.9 | Confident | 84 Ų | 84 | 75.7 Ų | 75.7 | 44% | 0.44 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -72 | 144 | -172.8 | -63 | 171 | 0 | 0 | 0 | 112.6 | R534 G551 V558 | R534-L553 PolarHBondContact NH2-O 3.18Å; G551-L553 VanDerWaalsContact C-N 3.34Å; L553-V558 HydrophobicContact CB-CG2 3.75Å; L553-V558 HydrophobicContact CD1-CG2 4.2Å |
| 554 | S | 63 | Low | 73.5 | Confident | 47 Ų | 47 | 76.1 Ų | 76.1 | 33% | 0.329 | 39% | 0.391 | S | S | . | . | trans | -68.1 | 142.9 | 174 | -178.5 | 0 | 0 | 0 | 0 | 111.1 | T556 E557 V558 | S554-T556 PolarHBondContact O-N 3.33Å; S554-T556 VanDerWaalsContact O-N 3.08Å; S554-T556 PolarHBondContact OG-N 3.38Å; S554-T556 PolarHBondContact OG-OG1 2.97Å; S554-E557 PolarHBondContact N-OE2 3.09Å; S554-E557 PolarHBondContact O-N 3.27Å; S554-V558 PolarHBondContact O-N 2.95Å | ||
| 555 | I | 62.8 | Low | 73 | Confident | 23 Ų | 23 | 77.1 Ų | 77.1 | 12% | 0.118 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -31.4 | 177.2 | -79.9 | 157.7 | 0 | 0 | 0 | 110.5 | T319 A321 V327 | T319-I555 HydrophobicContact CG2-CD1 3.6Å; A321-I555 HydrophobicContact CB-CG2 3.51Å; V327-I555 HydrophobicContact CG1-CD1 4.15Å; V327-I555 HydrophobicContact CG2-CG2 4.32Å |
| 556 | T | 58.1 | Low | 72.7 | Confident | 69 Ų | 69 | 72.6 Ų | 72.6 | 42% | 0.423 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -20.5 | 179.8 | 52.3 | 0 | 0 | 0 | 0 | 114.1 | S554 | S554-T556 PolarHBondContact O-N 3.33Å; S554-T556 VanDerWaalsContact O-N 3.08Å; S554-T556 PolarHBondContact OG-N 3.38Å; S554-T556 PolarHBondContact OG-OG1 2.97Å |
| 557 | E | 59 | Low | 72.4 | Confident | 132 Ų | 132 | 68 Ų | 68 | 62% | 0.617 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -22.6 | 179.6 | -68.6 | 172.5 | 163 | 0 | 0 | 112.1 | S554 T559 | S554-E557 PolarHBondContact N-OE2 3.09Å; S554-E557 PolarHBondContact O-N 3.27Å; E557-T559 PolarHBondContact O-N 3.25Å |
| 558 | V | 57.6 | Low | 72.1 | Confident | 58 Ų | 58 | 71.7 Ų | 71.7 | 35% | 0.352 | 38% | 0.379 | S | S | . | . | trans | -84.6 | 61.3 | 178 | -169.6 | 0 | 0 | 0 | 0 | 110.1 | L553 S554 | L553-V558 HydrophobicContact CB-CG2 3.75Å; L553-V558 HydrophobicContact CD1-CG2 4.2Å; S554-V558 PolarHBondContact O-N 2.95Å | ||
| 559 | T | 51.3 | Low | 71.7 | Confident | 120 Ų | 120 | 72.6 Ų | 72.6 | 74% | 0.736 | 38% | 0.383 | S | S | * | . | trans | -87.8 | -16.6 | 177.5 | 48.5 | 0 | 0 | 0 | 0 | 113.3 | E557 R561 | E557-T559 PolarHBondContact O-N 3.25Å; T559-R561 PolarHBondContact O-N 3.34Å | ||
| 560 | K | 57.3 | Low | 71.8 | Confident | 189 Ų | 189 | 71.7 Ų | 71.7 | 82% | 0.822 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -78.2 | 118.1 | 172.2 | -73.6 | -172.8 | 179 | -179.6 | 0 | 109.7 | ||
| 561 | R | 62.2 | Low | 72.3 | Confident | 165 Ų | 165 | 72.8 Ų | 72.8 | 62% | 0.623 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -56.6 | 138 | 170.4 | -73.6 | -177.1 | -179.7 | 175.8 | 1.2 | 109.2 | L462 T559 | L462-R561 PolarHBondContact O-NH1 2.78Å; T559-R561 PolarHBondContact O-N 3.34Å |
| 562 | P | 66.5 | Low | 72.6 | Confident | 97 Ų | 97 | 74.9 Ų | 74.9 | 63% | 0.63 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 148.5 | 177.1 | 25.3 | -32.6 | 0 | 0 | 0 | 110.3 | ||
| 563 | L | 75.1 | Confident | 73 | Confident | 99 Ų | 99 | 68 Ų | 68 | 52% | 0.518 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 146.7 | 171.8 | -65.9 | 172.5 | 0 | 0 | 0 | 109.5 | T567 L568 | L563-T567 HydrophobicContact CD2-CG2 4.22Å; L563-L568 HydrophobicContact CB-CD2 3.9Å; L563-L568 HydrophobicContact CB-CG 3.85Å; L563-L568 HydrophobicContact CD1-CD2 3.8Å; L563-L568 HydrophobicContact CG-CD2 4.48Å |
| 564 | T | 82.1 | Confident | 73.7 | Confident | 17 Ų | 17 | 66.1 Ų | 66.1 | 10% | 0.104 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 155.2 | 175.1 | 58 | 0 | 0 | 0 | 0 | 110.9 | D458 C461 N524 A566 T567 L568 | D458-T564 VanDerWaalsContact OD1-CB 3.31Å; D458-T564 WeakPolarHBondContact OD1-CB 3.45Å; D458-T564 VanDerWaalsContact OD1-CG2 3.24Å; D458-T564 WeakPolarHBondContact OD1-CG2 3.22Å; D458-T564 PolarHBondContact OD1-OG1 3.04Å; D458-T564 PolarHBondContact OD2-OG1 3.27Å; C461-T564 HydrophobicContact CB-CG2 4.19Å; N524-T564 WeakPolarHBondContact OD1-CB 3.32Å; T564-A566 PolarHBondContact O-N 2.95Å; T564-T567 PolarHBondContact O-N 3.41Å; T564-T567 VanDerWaalsContact O-N 3.15Å; T564-T567 WeakPolarHBondContact OG1-CB 3.3Å; T564-T567 PolarHBondContact OG1-N 3.29Å; T564-T567 PolarHBondContact OG1-OG1 3.02Å; T564-L568 PolarHBondContact O-N 3.39Å |
| 565 | A | 81.3 | Confident | 74.9 | Confident | 21 Ų | 21 | 66 Ų | 66 | 17% | 0.174 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -57.2 | -40.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F396 N524 D526 T567 F569 | F396-A565 HydrophobicContact CE1-CB 4.27Å; F396-A565 HydrophobicContact CZ-CB 4.35Å; N524-A565 PolarHBondContact O-N 2.95Å; D526-A565 HydrophobicContact CB-CB 4.18Å; A565-T567 PolarHBondContact O-N 2.92Å; A565-F569 WeakPolarHBondContact O-CB 3.46Å; A565-F569 PolarHBondContact O-N 2.74Å |
| 566 | A | 84 | Confident | 76 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.008 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66 | -37.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | F396 L454 N524 T564 F569 K570 | F396-A566 HydrophobicContact CE2-CB 4.03Å; F396-A566 HydrophobicContact CZ-CB 3.83Å; L454-A566 HydrophobicContact CD2-CB 3.6Å; N524-A566 WeakPolarHBondContact OD1-CB 3.33Å; N524-A566 PolarHBondContact OD1-N 3.02Å; T564-A566 PolarHBondContact O-N 2.95Å; A566-F569 PolarHBondContact O-N 3.44Å; A566-K570 WeakPolarHBondContact O-CB 3.2Å; A566-K570 PolarHBondContact O-N 3.3Å |
| 567 | T | 85.1 | Confident | 77.5 | Confident | 24 Ų | 24 | 62.6 Ų | 62.6 | 15% | 0.147 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -73.7 | -38.6 | 178.8 | -75.3 | 0 | 0 | 0 | 0 | 112 | D458 L563 T564 A565 F569 K570 N571 | D458-T567 PolarHBondContact OD2-OG1 2.87Å; L563-T567 HydrophobicContact CD2-CG2 4.22Å; T564-T567 PolarHBondContact O-N 3.41Å; T564-T567 VanDerWaalsContact O-N 3.15Å; T564-T567 WeakPolarHBondContact OG1-CB 3.3Å; T564-T567 PolarHBondContact OG1-N 3.29Å; T564-T567 PolarHBondContact OG1-OG1 3.02Å; A565-T567 PolarHBondContact O-N 2.92Å; T567-F569 VanDerWaalsContact C-N 3.27Å; T567-F569 PolarHBondContact O-N 3.11Å; T567-K570 PolarHBondContact O-N 2.81Å; T567-N571 WeakPolarHBondContact O-CB 2.84Å; T567-N571 PolarHBondContact O-N 3.48Å; T567-N571 PolarHBondContact O-ND2 2.89Å; T567-N571 PolarHBondContact O-OD1 3.34Å |
| 568 | L | 83.5 | Confident | 78.9 | Confident | 86 Ų | 86 | 61.1 Ų | 61.1 | 45% | 0.45 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.1 | -41.7 | 169.4 | -71.7 | 173.6 | 0 | 0 | 0 | 111.4 | L563 T564 N571 S572 | L563-L568 HydrophobicContact CB-CD2 3.9Å; L563-L568 HydrophobicContact CB-CG 3.85Å; L563-L568 HydrophobicContact CD1-CD2 3.8Å; L563-L568 HydrophobicContact CG-CD2 4.48Å; T564-L568 PolarHBondContact O-N 3.39Å; L568-N571 PolarHBondContact O-N 3.3Å; L568-S572 WeakPolarHBondContact O-CB 3.36Å; L568-S572 PolarHBondContact O-N 2.81Å; L568-S572 PolarHBondContact O-OG 3.05Å |
| 569 | F | 83.3 | Confident | 80.2 | Confident | 18 Ų | 18 | 61.9 Ų | 61.9 | 8% | 0.079 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.4 | -48.8 | 177.1 | -178.7 | -112.6 | 0 | 0 | 0 | 112.2 | L185 Y386 C400 Y403 C404 A565 A566 T567 N571 S572 I573 | L185-F569 HydrophobicContact CB-CD2 4.03Å; L185-F569 HydrophobicContact CB-CE2 3.71Å; L185-F569 HydrophobicContact CD1-CD1 4.42Å; L185-F569 HydrophobicContact CD1-CD2 3.57Å; L185-F569 HydrophobicContact CD1-CE1 4.08Å; L185-F569 HydrophobicContact CD1-CE2 3.19Å; L185-F569 HydrophobicContact CD1-CG 4.16Å; L185-F569 HydrophobicContact CD1-CZ 3.43Å; L185-F569 VanDerWaalsContact CD1-CZ 3.43Å; L185-F569 HydrophobicContact CG-CD2 4.05Å; L185-F569 HydrophobicContact CG-CE2 3.92Å; Y386-F569 WeakPolarHBondContact OH-CE2 3.31Å; C400-F569 HydrophobicContact CB-CD1 3.78Å; C400-F569 HydrophobicContact CB-CE1 3.63Å; C400-F569 HydrophobicContact CB-CG 4.47Å; C400-F569 HydrophobicContact CB-CZ 4.24Å; C400-F569 WeakPolarHBondContact O-CE1 3.39Å; Y403-F569 HydrophobicContact CD1-CD1 4.3Å; Y403-F569 AromaticContact CD1-CE1 3.91Å; Y403-F569 HydrophobicContact CD1-CE1 3.91Å; Y403-F569 HydrophobicContact CE1-CD1 4.47Å; Y403-F569 HydrophobicContact CE1-CE1 4.31Å; C404-F569 HydrophobicContact CB-CE1 4.17Å; C404-F569 HydrophobicContact CB-CZ 3.74Å; A565-F569 WeakPolarHBondContact O-CB 3.46Å; A565-F569 PolarHBondContact O-N 2.74Å; A566-F569 PolarHBondContact O-N 3.44Å; T567-F569 VanDerWaalsContact C-N 3.27Å; T567-F569 PolarHBondContact O-N 3.11Å; F569-N571 VanDerWaalsContact C-N 3.3Å; F569-N571 PolarHBondContact O-N 3.3Å; F569-S572 WeakPolarHBondContact O-CB 3.39Å; F569-S572 PolarHBondContact O-N 3.38Å; F569-S572 VanDerWaalsContact O-N 3.07Å; F569-I573 HydrophobicContact CD1-CG1 4.27Å; F569-I573 HydrophobicContact CD2-CD1 4.46Å; F569-I573 HydrophobicContact CD2-CG1 4.16Å; F569-I573 HydrophobicContact CE1-CD1 4.48Å; F569-I573 HydrophobicContact CE1-CG1 3.77Å; F569-I573 HydrophobicContact CE2-CD1 3.62Å; F569-I573 HydrophobicContact CE2-CG1 3.62Å; F569-I573 HydrophobicContact CG-CG1 4.46Å; F569-I573 HydrophobicContact CZ-CD1 3.68Å; F569-I573 HydrophobicContact CZ-CG1 3.45Å; F569-I573 VanDerWaalsContact CZ-CG1 3.45Å; F569-I573 WeakPolarHBondContact O-CG1 3.04Å; F569-I573 PolarHBondContact O-N 3.03Å |
| 570 | K | 87.6 | Confident | 82 | Confident | 47 Ų | 47 | 56.4 Ų | 56.4 | 20% | 0.204 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -51.8 | -50.1 | 174.2 | 176.1 | -177.5 | 173.7 | 177.3 | 0 | 111.1 | E447 L454 A566 T567 S572 I573 V574 | E447-K570 HydrophobicContact CB-CD 4.24Å; E447-K570 PolarHBondContact O-NZ 2.97Å; L454-K570 HydrophobicContact CD1-CB 4.03Å; L454-K570 HydrophobicContact CD1-CD 4.12Å; L454-K570 HydrophobicContact CD1-CG 4.44Å; A566-K570 WeakPolarHBondContact O-CB 3.2Å; A566-K570 PolarHBondContact O-N 3.3Å; T567-K570 PolarHBondContact O-N 2.81Å; K570-S572 VanDerWaalsContact C-N 3.28Å; K570-S572 PolarHBondContact O-N 2.99Å; K570-I573 PolarHBondContact O-N 3.46Å; K570-V574 HydrophobicContact CG-CG2 4.35Å; K570-V574 VanDerWaalsContact O-CG2 3.3Å; K570-V574 WeakPolarHBondContact O-CG2 3.26Å; K570-V574 PolarHBondContact O-N 2.95Å |
| 571 | N | 88.8 | Confident | 83.4 | Confident | 80 Ų | 80 | 49.7 Ų | 49.7 | 43% | 0.428 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.4 | -39.6 | 179.9 | -67.9 | -12.5 | 0 | 0 | 0 | 111.9 | T567 L568 F569 A575 | T567-N571 WeakPolarHBondContact O-CB 2.84Å; T567-N571 PolarHBondContact O-N 3.48Å; T567-N571 PolarHBondContact O-ND2 2.89Å; T567-N571 PolarHBondContact O-OD1 3.34Å; L568-N571 PolarHBondContact O-N 3.3Å; F569-N571 VanDerWaalsContact C-N 3.3Å; F569-N571 PolarHBondContact O-N 3.3Å; N571-A575 WeakPolarHBondContact O-CB 3.41Å; N571-A575 PolarHBondContact O-N 3.34Å |
| 572 | S | 85.1 | Confident | 84.4 | Confident | 51 Ų | 51 | 46.1 Ų | 46.1 | 36% | 0.357 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -67.4 | -39.2 | 178 | -56.9 | 0 | 0 | 0 | 0 | 112.5 | L568 F569 K570 L576 | L568-S572 WeakPolarHBondContact O-CB 3.36Å; L568-S572 PolarHBondContact O-N 2.81Å; L568-S572 PolarHBondContact O-OG 3.05Å; F569-S572 WeakPolarHBondContact O-CB 3.39Å; F569-S572 PolarHBondContact O-N 3.38Å; F569-S572 VanDerWaalsContact O-N 3.07Å; K570-S572 VanDerWaalsContact C-N 3.28Å; K570-S572 PolarHBondContact O-N 2.99Å; S572-L576 PolarHBondContact O-N 2.61Å |
| 573 | I | 86.4 | Confident | 85.4 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -71.3 | -41.6 | 176.7 | -64.6 | -50.1 | 0 | 0 | 0 | 111.5 | C404 K407 F569 K570 A575 L576 V577 | C404-I573 HydrophobicContact CB-CD1 4.12Å; C404-I573 HydrophobicContact CB-CG1 4.25Å; C404-I573 WeakPolarHBondContact SG-CD1 3.37Å; K407-I573 HydrophobicContact CB-CG2 4.46Å; K407-I573 HydrophobicContact CD-CG2 3.91Å; K407-I573 HydrophobicContact CG-CG2 4.4Å; F569-I573 HydrophobicContact CD1-CG1 4.27Å; F569-I573 HydrophobicContact CD2-CD1 4.46Å; F569-I573 HydrophobicContact CD2-CG1 4.16Å; F569-I573 HydrophobicContact CE1-CD1 4.48Å; F569-I573 HydrophobicContact CE1-CG1 3.77Å; F569-I573 HydrophobicContact CE2-CD1 3.62Å; F569-I573 HydrophobicContact CE2-CG1 3.62Å; F569-I573 HydrophobicContact CG-CG1 4.46Å; F569-I573 HydrophobicContact CZ-CD1 3.68Å; F569-I573 HydrophobicContact CZ-CG1 3.45Å; F569-I573 VanDerWaalsContact CZ-CG1 3.45Å; F569-I573 WeakPolarHBondContact O-CG1 3.04Å; F569-I573 PolarHBondContact O-N 3.03Å; K570-I573 PolarHBondContact O-N 3.46Å; I573-A575 VanDerWaalsContact C-N 3.31Å; I573-A575 PolarHBondContact O-N 3.38Å; I573-L576 WeakPolarHBondContact O-CB 3.22Å; I573-L576 PolarHBondContact O-N 2.59Å; I573-L576 VanDerWaalsContact O-N 3.14Å; I573-V577 HydrophobicContact CG2-CG2 4.26Å; I573-V577 VanDerWaalsContact O-CG2 3.3Å; I573-V577 WeakPolarHBondContact O-CG2 3.49Å; I573-V577 PolarHBondContact O-N 3.46Å |
| 574 | V | 88.4 | Confident | 86 | Confident | 44 Ų | 44 | 38.8 Ų | 38.8 | 27% | 0.267 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -57.2 | -48.2 | 173.5 | 171.3 | 0 | 0 | 0 | 0 | 109.9 | K570 L576 V577 D578 | K570-V574 HydrophobicContact CG-CG2 4.35Å; K570-V574 VanDerWaalsContact O-CG2 3.3Å; K570-V574 WeakPolarHBondContact O-CG2 3.26Å; K570-V574 PolarHBondContact O-N 2.95Å; V574-L576 VanDerWaalsContact C-N 3.27Å; V574-L576 PolarHBondContact O-N 3.25Å; V574-V577 PolarHBondContact O-N 3.32Å; V574-V577 VanDerWaalsContact O-N 3.15Å; V574-D578 VanDerWaalsContact O-CG 3.28Å; V574-D578 PolarHBondContact O-N 3.42Å |
| 575 | A | 88.1 | Confident | 86.3 | Confident | 46 Ų | 46 | 38.5 Ų | 38.5 | 38% | 0.38 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.3 | -33.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | N571 I573 K579 | N571-A575 WeakPolarHBondContact O-CB 3.41Å; N571-A575 PolarHBondContact O-N 3.34Å; I573-A575 VanDerWaalsContact C-N 3.31Å; I573-A575 PolarHBondContact O-N 3.38Å; A575-K579 WeakPolarHBondContact O-CB 3.44Å; A575-K579 VanDerWaalsContact O-CG 3.3Å; A575-K579 WeakPolarHBondContact O-CG 3.4Å; A575-K579 PolarHBondContact O-N 2.63Å |
| 576 | L | 86.3 | Confident | 86.7 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.4 | -46.4 | 173.7 | 175.9 | 62 | 0 | 0 | 0 | 111.4 | Y165 Y184 L383 S572 I573 V574 D578 K579 L580 | Y165-L576 HydrophobicContact CD1-CD1 4.21Å; Y165-L576 HydrophobicContact CD2-CD1 4.3Å; Y165-L576 HydrophobicContact CG-CD1 4.02Å; Y184-L576 HydrophobicContact CD2-CD2 4.47Å; Y184-L576 HydrophobicContact CE1-CB 4.14Å; Y184-L576 HydrophobicContact CE2-CD1 4.05Å; Y184-L576 HydrophobicContact CE2-CD2 4.22Å; L383-L576 HydrophobicContact CD1-CD1 4.42Å; L383-L576 HydrophobicContact CD1-CD2 4.2Å; L383-L576 HydrophobicContact CD2-CD2 4.4Å; S572-L576 PolarHBondContact O-N 2.61Å; I573-L576 WeakPolarHBondContact O-CB 3.22Å; I573-L576 PolarHBondContact O-N 2.59Å; I573-L576 VanDerWaalsContact O-N 3.14Å; V574-L576 VanDerWaalsContact C-N 3.27Å; V574-L576 PolarHBondContact O-N 3.25Å; L576-D578 VanDerWaalsContact C-N 3.35Å; L576-D578 PolarHBondContact O-N 2.83Å; L576-K579 WeakPolarHBondContact O-CB 3.24Å; L576-K579 PolarHBondContact O-N 2.97Å; L576-L580 HydrophobicContact CD1-CD1 4.18Å; L576-L580 HydrophobicContact CD1-CG 4.18Å; L576-L580 HydrophobicContact CG-CD1 4.08Å; L576-L580 HydrophobicContact CG-CG 4.46Å; L576-L580 VanDerWaalsContact O-CG 3.32Å; L576-L580 WeakPolarHBondContact O-CG 3.24Å; L576-L580 PolarHBondContact O-N 3.22Å |
| 577 | V | 88.1 | Confident | 87 | Confident | 19 Ų | 19 | 38.5 Ų | 38.5 | 12% | 0.115 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.5 | -45.8 | 178.8 | 166.2 | 0 | 0 | 0 | 0 | 110.6 | K407 L411 I573 V574 K579 L580 A581 | K407-V577 HydrophobicContact CD-CG2 4.36Å; K407-V577 HydrophobicContact CG-CG2 3.98Å; L411-V577 HydrophobicContact CD1-CG1 4.16Å; L411-V577 HydrophobicContact CD2-CB 4.44Å; L411-V577 HydrophobicContact CD2-CG1 4.07Å; L411-V577 HydrophobicContact CD2-CG2 4.46Å; L411-V577 HydrophobicContact CG-CG1 4.49Å; I573-V577 HydrophobicContact CG2-CG2 4.26Å; I573-V577 VanDerWaalsContact O-CG2 3.3Å; I573-V577 WeakPolarHBondContact O-CG2 3.49Å; I573-V577 PolarHBondContact O-N 3.46Å; V574-V577 PolarHBondContact O-N 3.32Å; V574-V577 VanDerWaalsContact O-N 3.15Å; V577-K579 VanDerWaalsContact C-N 3.31Å; V577-K579 PolarHBondContact O-N 2.92Å; V577-L580 PolarHBondContact O-N 3Å; V577-A581 WeakPolarHBondContact O-CB 2.94Å; V577-A581 PolarHBondContact O-N 3.17Å |
| 578 | D | 88.6 | Confident | 87.4 | Confident | 101 Ų | 101 | 37.4 Ų | 37.4 | 54% | 0.54 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.9 | -40.2 | 176.6 | -65.7 | -21.2 | 0 | 0 | 0 | 111.7 | V574 L576 L580 | V574-D578 VanDerWaalsContact O-CG 3.28Å; V574-D578 PolarHBondContact O-N 3.42Å; L576-D578 VanDerWaalsContact C-N 3.35Å; L576-D578 PolarHBondContact O-N 2.83Å; D578-L580 VanDerWaalsContact C-N 3.31Å; D578-L580 PolarHBondContact O-N 2.92Å |
| 579 | K | 86.1 | Confident | 87.8 | Confident | 75 Ų | 75 | 33.9 Ų | 33.9 | 33% | 0.326 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -67.2 | -28.3 | 175 | -79.1 | -178.3 | -174.9 | -173.3 | 0 | 113.5 | N182 A575 L576 V577 C582 K583 | N182-K579 PolarHBondContact OD1-NZ 3.03Å; A575-K579 WeakPolarHBondContact O-CB 3.44Å; A575-K579 VanDerWaalsContact O-CG 3.3Å; A575-K579 WeakPolarHBondContact O-CG 3.4Å; A575-K579 PolarHBondContact O-N 2.63Å; L576-K579 WeakPolarHBondContact O-CB 3.24Å; L576-K579 PolarHBondContact O-N 2.97Å; V577-K579 VanDerWaalsContact C-N 3.31Å; V577-K579 PolarHBondContact O-N 2.92Å; K579-C582 PolarHBondContact O-SG 3.28Å; K579-K583 PolarHBondContact O-NZ 3.09Å |
| 580 | L | 87.3 | Confident | 88.3 | Confident | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -84.6 | -37.9 | 178.8 | -70.9 | 176.7 | 0 | 0 | 0 | 111.2 | C97 Y165 L383 L408 L411 L576 V577 D578 C582 K583 | C97-L580 HydrophobicContact CB-CD2 3.99Å; Y165-L580 HydrophobicContact CE2-CD2 3.74Å; L383-L580 HydrophobicContact CD2-CD1 3.98Å; L408-L580 HydrophobicContact CD2-CD1 3.79Å; L411-L580 HydrophobicContact CD2-CB 3.67Å; L411-L580 HydrophobicContact CD2-CD1 4.13Å; L576-L580 HydrophobicContact CD1-CD1 4.18Å; L576-L580 HydrophobicContact CD1-CG 4.18Å; L576-L580 HydrophobicContact CG-CD1 4.08Å; L576-L580 HydrophobicContact CG-CG 4.46Å; L576-L580 VanDerWaalsContact O-CG 3.32Å; L576-L580 WeakPolarHBondContact O-CG 3.24Å; L576-L580 PolarHBondContact O-N 3.22Å; V577-L580 PolarHBondContact O-N 3Å; D578-L580 VanDerWaalsContact C-N 3.31Å; D578-L580 PolarHBondContact O-N 2.92Å; L580-C582 PolarHBondContact O-N 2.94Å; L580-K583 PolarHBondContact O-N 3.39Å |
| 581 | A | 86.6 | Confident | 88.5 | Confident | 49 Ų | 49 | 30.8 Ų | 30.8 | 41% | 0.405 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -60.8 | -27.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L411 V577 K583 | L411-A581 HydrophobicContact CD1-CB 4Å; V577-A581 WeakPolarHBondContact O-CB 2.94Å; V577-A581 PolarHBondContact O-N 3.17Å; A581-K583 VanDerWaalsContact C-N 3.32Å |
| 582 | C | 84.8 | Confident | 88.6 | Confident | 90 Ų | 90 | 27 Ų | 27 | 61% | 0.608 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -1.4 | 176.4 | 67.7 | 0 | 0 | 0 | 0 | 114.7 | K579 L580 | K579-C582 PolarHBondContact O-SG 3.28Å; L580-C582 PolarHBondContact O-N 2.94Å |
| 583 | K | 87.5 | Confident | 89 | Confident | 20 Ų | 20 | 24.5 Ų | 24.5 | 9% | 0.087 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -115.8 | 150.4 | -176 | -56.3 | -166.2 | 178.1 | 84.7 | 0 | 111.8 | D95 C97 Y165 D167 K579 L580 A581 P585 | D95-K583 HydrophobicContact CB-CB 4.32Å; D95-K583 HydrophobicContact CB-CD 4.03Å; D95-K583 HydrophobicContact CB-CG 3.75Å; D95-K583 CarbonylContact O-C 3.47Å; D95-K583 WeakPolarHBondContact O-CA 3.42Å; C97-K583 HydrophobicContact CB-CB 4.2Å; C97-K583 HydrophobicContact CB-CD 4.15Å; Y165-K583 WeakPolarHBondContact OH-CE 3.47Å; Y165-K583 PolarHBondContact OH-NZ 3.44Å; D167-K583 IonicContact OD1-NZ 3.23Å; K579-K583 PolarHBondContact O-NZ 3.09Å; L580-K583 PolarHBondContact O-N 3.39Å; A581-K583 VanDerWaalsContact C-N 3.32Å; K583-P585 WeakPolarHBondContact O-CD 3.28Å |
| 584 | E | 87 | Confident | 89.2 | Confident | 22 Ų | 22 | 24.8 Ų | 24.8 | 10% | 0.103 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 118.9 | 172.4 | -174.5 | 168.1 | -179.6 | 0 | 0 | 109.4 | R92 D95 T96 C97 Y586 | R92-E584 IonicContact NH1-OE1 2.85Å; R92-E584 PolarHBondContact NH1-OE1 3.48Å; R92-E584 IonicContact NH1-OE2 3.67Å; D95-E584 PolarHBondContact O-N 3.14Å; T96-E584 CarbonylContact C-O 3.59Å; T96-E584 VanDerWaalsContact CA-O 3.24Å; T96-E584 WeakPolarHBondContact CA-O 3.38Å; T96-E584 HydrophobicContact CG2-CB 4.28Å; C97-E584 PolarHBondContact N-O 3.19Å; E584-Y586 HydrophobicContact CG-CE2 4.29Å |
| 585 | P | 88.3 | Confident | 88.9 | Confident | 10 Ų | 10 | 25.8 Ų | 25.8 | 7% | 0.065 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 143.2 | -168.3 | 39.3 | -37.8 | 0 | 0 | 0 | 113.4 | C97 L415 K583 Y587 | C97-P585 CarbonylContact O-C 3.58Å; L415-P585 HydrophobicContact CB-CG 3.96Å; L415-P585 HydrophobicContact CD1-CB 4.25Å; L415-P585 HydrophobicContact CD1-CG 3.93Å; K583-P585 WeakPolarHBondContact O-CD 3.28Å; P585-Y587 HydrophobicContact CB-CE2 3.52Å; P585-Y587 WeakPolarHBondContact CB-OH 3.45Å; P585-Y587 HydrophobicContact CG-CE2 3.85Å |
| 586 | Y | 90.6 | Very high | 88.8 | Confident | 9 Ų | 9 | 30.8 Ų | 30.8 | 4% | 0.035 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 145.6 | 173.6 | -66.9 | -84 | 0 | 0 | 0 | 109.1 | V81 A84 A85 A88 T96 C97 I98 V99 E584 | V81-Y586 HydrophobicContact CG1-CD1 4.24Å; V81-Y586 HydrophobicContact CG1-CG 4.23Å; A84-Y586 HydrophobicContact CB-CD1 4.41Å; A84-Y586 HydrophobicContact CB-CE1 3.78Å; A84-Y586 PolarHBondContact O-OH 2.98Å; A85-Y586 VanDerWaalsContact CA-CE2 3.43Å; A85-Y586 HydrophobicContact CB-CD2 3.62Å; A85-Y586 HydrophobicContact CB-CE2 3.72Å; A85-Y586 HydrophobicContact CB-CG 4.24Å; A88-Y586 VanDerWaalsContact CB-OH 3.29Å; A88-Y586 WeakPolarHBondContact CB-OH 3.34Å; T96-Y586 HydrophobicContact CG2-CE2 4.04Å; C97-Y586 PolarHBondContact O-N 2.93Å; I98-Y586 CarbonylContact C-O 3.56Å; I98-Y586 VanDerWaalsContact CA-O 3.3Å; I98-Y586 WeakPolarHBondContact CA-O 3.28Å; V99-Y586 PolarHBondContact N-O 3.23Å; E584-Y586 HydrophobicContact CG-CE2 4.29Å |
| 587 | Y | 89.3 | Confident | 88.7 | Confident | 14 Ų | 14 | 34.7 Ų | 34.7 | 6% | 0.055 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 139.3 | -170.1 | -63.7 | -91.5 | 0 | 0 | 0 | 113 | V46 V99 F412 P585 | V46-Y587 PolarHBondContact N-O 3.38Å; V99-Y587 HydrophobicContact CB-CD1 3.67Å; V99-Y587 HydrophobicContact CB-CE1 3.69Å; V99-Y587 HydrophobicContact CG1-CD1 4.06Å; V99-Y587 HydrophobicContact CG1-CE1 4.03Å; V99-Y587 HydrophobicContact CG2-CD1 4.39Å; V99-Y587 HydrophobicContact CG2-CE1 3.95Å; V99-Y587 WeakPolarHBondContact O-CA 3.26Å; F412-Y587 HydrophobicContact CB-CE1 4.08Å; F412-Y587 AromaticContact CD2-CD1 3.78Å; F412-Y587 HydrophobicContact CD2-CD1 3.78Å; F412-Y587 AromaticContact CD2-CD2 3.71Å; F412-Y587 HydrophobicContact CD2-CD2 3.71Å; F412-Y587 AromaticContact CD2-CE1 3.36Å; F412-Y587 HydrophobicContact CD2-CE1 3.36Å; F412-Y587 AromaticContact CD2-CE2 3.27Å; F412-Y587 HydrophobicContact CD2-CE2 3.27Å; F412-Y587 AromaticContact CD2-CG 3.95Å; F412-Y587 HydrophobicContact CD2-CG 3.95Å; F412-Y587 AromaticContact CD2-CZ 3.11Å; F412-Y587 WeakPolarHBondContact CD2-OH 3.37Å; F412-Y587 AromaticContact CE2-CD1 3.83Å; F412-Y587 HydrophobicContact CE2-CD1 3.83Å; F412-Y587 AromaticContact CE2-CD2 3.42Å; F412-Y587 HydrophobicContact CE2-CD2 3.42Å; F412-Y587 VanDerWaalsContact CE2-CD2 3.42Å; F412-Y587 AromaticContact CE2-CE1 3.91Å; F412-Y587 HydrophobicContact CE2-CE1 3.91Å; F412-Y587 AromaticContact CE2-CE2 3.49Å; F412-Y587 HydrophobicContact CE2-CE2 3.49Å; F412-Y587 VanDerWaalsContact CE2-CE2 3.49Å; F412-Y587 AromaticContact CE2-CG 3.6Å; F412-Y587 HydrophobicContact CE2-CG 3.6Å; F412-Y587 AromaticContact CE2-CZ 3.77Å; F412-Y587 HydrophobicContact CG-CE1 4.01Å; F412-Y587 HydrophobicContact CG-CE2 4.5Å; P585-Y587 HydrophobicContact CB-CE2 3.52Å; P585-Y587 WeakPolarHBondContact CB-OH 3.45Å; P585-Y587 HydrophobicContact CG-CE2 3.85Å |
| 588 | V | 93.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 116 | 170.3 | -176.8 | 0 | 0 | 0 | 0 | 108.3 | V46 L78 I98 V99 I100 S101 A111 I115 | V46-V588 CarbonylContact O-C 3.6Å; V46-V588 WeakPolarHBondContact O-CA 3.36Å; L78-V588 HydrophobicContact CD2-CB 4.38Å; L78-V588 HydrophobicContact CD2-CG1 3.57Å; L78-V588 HydrophobicContact CD2-CG2 3.84Å; I98-V588 HydrophobicContact CG2-CG2 4.16Å; V99-V588 PolarHBondContact O-N 2.85Å; I100-V588 WeakPolarHBondContact CA-O 3.31Å; I100-V588 HydrophobicContact CG1-CB 4.26Å; I100-V588 HydrophobicContact CG2-CB 4.3Å; I100-V588 HydrophobicContact CG2-CG1 4.38Å; S101-V588 PolarHBondContact N-O 3.44Å; A111-V588 HydrophobicContact CB-CG1 4.48Å; I115-V588 HydrophobicContact CD1-CG2 4.26Å |
| 589 | R | 92.6 | Very high | 88.7 | Confident | 12 Ų | 12 | 32.9 Ų | 32.9 | 5% | 0.045 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 108.9 | -178.9 | -57.9 | -60.7 | -170 | 159 | 8.1 | 108.9 | V45 V46 V47 S48 S101 F412 L616 | V45-R589 HydrophobicContact CG1-CG 3.79Å; V46-R589 PolarHBondContact O-N 3.12Å; V47-R589 CarbonylContact C-O 3.57Å; V47-R589 VanDerWaalsContact CA-O 3.31Å; V47-R589 WeakPolarHBondContact CA-O 3.1Å; S48-R589 PolarHBondContact N-O 2.78Å; S101-R589 WeakPolarHBondContact OG-CD 3.24Å; S101-R589 PolarHBondContact OG-NH1 3.46Å; F412-R589 VanDerWaalsContact CD1-NH2 3.29Å; F412-R589 VanDerWaalsContact CE1-NH2 3.33Å; R589-L616 HydrophobicContact CB-CD2 3.68Å; R589-L616 HydrophobicContact CG-CD2 3.63Å |
| 590 | C | 93.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 134.1 | -174.9 | -58.1 | 0 | 0 | 0 | 0 | 111.1 | S48 S101 G102 A106 K108 | S48-C590 CarbonylContact O-C 3.46Å; S48-C590 VanDerWaalsContact O-CA 3.24Å; S48-C590 WeakPolarHBondContact O-CA 3.33Å; S101-C590 WeakPolarHBondContact O-CB 3.35Å; S101-C590 PolarHBondContact O-N 3.12Å; G102-C590 WeakPolarHBondContact CA-O 3.35Å; A106-C590 HydrophobicContact CB-CB 3.72Å; A106-C590 WeakPolarHBondContact O-CB 3.44Å; K108-C590 HydrophobicContact CG-CB 4.19Å |
| 591 | I | 93 | Very high | 89 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 134.6 | 179.6 | -60.8 | 177.6 | 0 | 0 | 0 | 109.6 | L29 V47 S48 V49 N50 C607 Q610 V611 L614 L616 | L29-I591 HydrophobicContact CD1-CD1 4.46Å; L29-I591 HydrophobicContact CD2-CD1 3.72Å; V47-I591 HydrophobicContact CG1-CD1 3.56Å; V47-I591 HydrophobicContact CG1-CG1 4.19Å; S48-I591 PolarHBondContact O-N 3.02Å; V49-I591 WeakPolarHBondContact CA-O 3.23Å; V49-I591 HydrophobicContact CG2-CB 4.39Å; N50-I591 PolarHBondContact N-O 3.33Å; I591-C607 HydrophobicContact CG2-CB 4.45Å; I591-Q610 HydrophobicContact CG2-CB 4.39Å; I591-V611 HydrophobicContact CD1-CG2 4.1Å; I591-L614 HydrophobicContact CG1-CD1 4.01Å; I591-L616 HydrophobicContact CD1-CD1 3.83Å |
| 592 | K | 90.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -89.7 | 114.5 | 171.9 | 179.8 | 172.3 | 176 | -178.5 | 0 | 109.6 | Y52 A106 R155 N594 E595 Q610 | Y52-K592 WeakPolarHBondContact OH-CE 3.44Å; Y52-K592 WeakPolarHBondContact OH-CG 3.38Å; A106-K592 HydrophobicContact CB-CB 4.22Å; R155-K592 PolarHBondContact O-NZ 3.24Å; K592-N594 WeakPolarHBondContact CE-O 3.45Å; K592-E595 WeakPolarHBondContact CE-OE2 3.31Å; K592-E595 IonicContact NZ-OE1 3.28Å; K592-E595 PolarHBondContact NZ-OE1 3.45Å; K592-E595 VanDerWaalsContact NZ-OE1 3.15Å; K592-E595 IonicContact NZ-OE2 3.52Å; K592-E595 PolarHBondContact NZ-OE2 2.75Å; K592-Q610 PolarHBondContact O-NE2 3.27Å | ||
| 593 | P | 92.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -74.2 | -28.2 | -173 | 28.7 | -35.4 | 0 | 0 | 0 | 114.2 | F33 V49 N50 Y52 F602 D603 | F33-P593 HydrophobicContact CE1-CB 4.25Å; F33-P593 HydrophobicContact CE2-CB 4.15Å; F33-P593 HydrophobicContact CE2-CG 4.11Å; F33-P593 HydrophobicContact CZ-CB 3.86Å; F33-P593 HydrophobicContact CZ-CG 3.92Å; V49-P593 HydrophobicContact CG1-CB 3.85Å; V49-P593 HydrophobicContact CG1-CG 4.11Å; N50-P593 WeakPolarHBondContact O-CD 3.5Å; N50-P593 WeakPolarHBondContact O-CG 3.44Å; Y52-P593 HydrophobicContact CD2-CG 3.94Å; Y52-P593 HydrophobicContact CE2-CG 3.71Å; P593-F602 HydrophobicContact CB-CD2 4.18Å; P593-D603 PolarHBondContact O-N 3.39Å | ||
| 594 | N | 90.4 | Very high | 89.9 | Confident | 5 Ų | 5 | 39.2 Ų | 39.2 | 3% | 0.027 | 21% | 0.206 | C | C | . | . | trans | -162.5 | 163.6 | -179.6 | 62.7 | 88 | 0 | 0 | 0 | 111.8 | Y52 K592 M596 K597 S598 L601 | Y52-N594 PolarHBondContact OH-O 3.33Å; K592-N594 WeakPolarHBondContact CE-O 3.45Å; N594-M596 PolarHBondContact OD1-N 3.44Å; N594-K597 PolarHBondContact OD1-N 3.19Å; N594-S598 PolarHBondContact ND2-O 3.03Å; N594-S598 PolarHBondContact OD1-N 3.48Å; N594-L601 HydrophobicContact CB-CB 4.07Å; N594-L601 PolarHBondContact ND2-O 2.8Å | ||
| 595 | E | 83.4 | Confident | 90 | Very high | 66 Ų | 66 | 41.5 Ų | 41.5 | 31% | 0.308 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -80.4 | -27.8 | 175.1 | -79.2 | -68.5 | 172.3 | 0 | 0 | 113.8 | K592 K597 R606 | K592-E595 WeakPolarHBondContact CE-OE2 3.31Å; K592-E595 IonicContact NZ-OE1 3.28Å; K592-E595 PolarHBondContact NZ-OE1 3.45Å; K592-E595 VanDerWaalsContact NZ-OE1 3.15Å; K592-E595 IonicContact NZ-OE2 3.52Å; K592-E595 PolarHBondContact NZ-OE2 2.75Å; E595-K597 PolarHBondContact O-N 2.97Å; E595-R606 VanDerWaalsContact CD-NH1 3.27Å; E595-R606 IonicContact OE1-CZ 2.98Å; E595-R606 IonicContact OE1-NH1 3.15Å; E595-R606 PolarHBondContact OE1-NH1 3.08Å; E595-R606 IonicContact OE1-NH2 3.76Å; E595-R606 PolarHBondContact OE1-NH2 3.34Å |
| 596 | M | 85.4 | Confident | 89.9 | Confident | 151 Ų | 151 | 43 Ų | 43 | 74% | 0.744 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -73.1 | 3.8 | -175.5 | -59.6 | -56.2 | -67.3 | 0 | 0 | 113.8 | N594 S598 L601 | N594-M596 PolarHBondContact OD1-N 3.44Å; M596-S598 PolarHBondContact O-N 2.96Å; M596-S598 VanDerWaalsContact O-N 3.15Å; M596-L601 HydrophobicContact CB-CD1 4.17Å; M596-L601 HydrophobicContact CG-CD1 4.39Å |
| 597 | K | 84.4 | Confident | 89.9 | Confident | 82 Ų | 82 | 42.6 Ų | 42.6 | 36% | 0.357 | 23% | 0.231 | S | C | . | . | trans | 52 | 32.9 | -175.9 | -57.3 | 175.7 | -178.5 | 169 | 0 | 112.6 | Y52 D157 N594 E595 | Y52-K597 HydrophobicContact CD1-CB 4.02Å; Y52-K597 HydrophobicContact CD1-CG 4.48Å; Y52-K597 HydrophobicContact CE1-CB 3.99Å; Y52-K597 HydrophobicContact CE1-CG 3.99Å; Y52-K597 HydrophobicContact CG-CB 4.42Å; D157-K597 IonicContact OD1-NZ 2.96Å; D157-K597 PolarHBondContact OD1-NZ 2.75Å; D157-K597 IonicContact OD2-NZ 3.21Å; D157-K597 PolarHBondContact OD2-NZ 2.79Å; N594-K597 PolarHBondContact OD1-N 3.19Å; E595-K597 PolarHBondContact O-N 2.97Å | ||
| 598 | S | 87.3 | Confident | 89.9 | Confident | 28 Ų | 28 | 46.4 Ų | 46.4 | 20% | 0.196 | 25% | 0.249 | C | C | . | . | trans | -91.4 | 135.7 | -177.5 | 174.4 | 0 | 0 | 0 | 0 | 111.1 | N594 M596 V600 | N594-S598 PolarHBondContact ND2-O 3.03Å; N594-S598 PolarHBondContact OD1-N 3.48Å; M596-S598 PolarHBondContact O-N 2.96Å; M596-S598 VanDerWaalsContact O-N 3.15Å; S598-V600 PolarHBondContact O-N 2.95Å; S598-V600 PolarHBondContact OG-N 3.37Å | ||
| 599 | P | 88.4 | Confident | 89.5 | Confident | 54 Ų | 54 | 50.2 Ų | 50.2 | 35% | 0.351 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -74.4 | -8.9 | 177.6 | 30.1 | -34.8 | 0 | 0 | 0 | 114 | P51 R53 | P51-P599 WeakPolarHBondContact O-CA 3.25Å; P51-P599 VanDerWaalsContact O-CB 3.25Å; P51-P599 WeakPolarHBondContact O-CB 3.48Å; R53-P599 HydrophobicContact CB-CB 4.37Å; R53-P599 HydrophobicContact CG-CB 4.31Å |
| 600 | V | 88.8 | Confident | 89.3 | Confident | 121 Ų | 121 | 49.7 Ų | 49.7 | 73% | 0.733 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -110 | -26.5 | -175.2 | -173.8 | 0 | 0 | 0 | 0 | 112.4 | S598 | S598-V600 PolarHBondContact O-N 2.95Å; S598-V600 PolarHBondContact OG-N 3.37Å |
| 601 | L | 91.8 | Very high | 89.1 | Confident | 89 Ų | 89 | 49.7 Ų | 49.7 | 47% | 0.466 | 27% | 0.265 | S | S | . | . | trans | -79.5 | 138.3 | -176.3 | -66.1 | 175 | 0 | 0 | 0 | 111.3 | N594 M596 | N594-L601 HydrophobicContact CB-CB 4.07Å; N594-L601 PolarHBondContact ND2-O 2.8Å; M596-L601 HydrophobicContact CB-CD1 4.17Å; M596-L601 HydrophobicContact CG-CD1 4.39Å | ||
| 602 | F | 93.1 | Very high | 88.5 | Confident | 24 Ų | 24 | 51.4 Ų | 51.4 | 11% | 0.105 | 28% | 0.28 | C | S | . | . | trans | -130.6 | 114.2 | 172.4 | -170.8 | -86.2 | 0 | 0 | 0 | 108.3 | M26 L29 K30 F33 P593 D604 C607 | M26-F602 HydrophobicContact CE-CE1 3.57Å; M26-F602 HydrophobicContact CE-CZ 3.74Å; L29-F602 HydrophobicContact CD2-CE2 4.47Å; L29-F602 HydrophobicContact CD2-CZ 4.06Å; L29-F602 HydrophobicContact CG-CE2 4.31Å; L29-F602 HydrophobicContact CG-CZ 4.14Å; K30-F602 HydrophobicContact CB-CD1 4.15Å; K30-F602 HydrophobicContact CB-CE1 3.96Å; K30-F602 HydrophobicContact CB-CZ 4.26Å; K30-F602 HydrophobicContact CD-CD1 4.17Å; K30-F602 HydrophobicContact CG-CD1 3.9Å; K30-F602 HydrophobicContact CG-CE1 4.22Å; K30-F602 HydrophobicContact CG-CG 4.22Å; F33-F602 HydrophobicContact CB-CD2 4.18Å; F33-F602 HydrophobicContact CB-CE2 4.39Å; F33-F602 HydrophobicContact CD1-CB 4.11Å; F33-F602 AromaticContact CD1-CD2 3.68Å; F33-F602 HydrophobicContact CD1-CD2 3.68Å; F33-F602 HydrophobicContact CD1-CG 4.34Å; F33-F602 HydrophobicContact CE1-CB 4.3Å; F33-F602 HydrophobicContact CE1-CD2 4.26Å; F33-F602 AromaticContact CG-CD2 3.99Å; F33-F602 HydrophobicContact CG-CD2 3.99Å; P593-F602 HydrophobicContact CB-CD2 4.18Å; F602-D604 WeakPolarHBondContact CD1-OD1 3.29Å; F602-C607 HydrophobicContact CE1-CB 3.86Å; F602-C607 HydrophobicContact CE2-CB 4.31Å; F602-C607 HydrophobicContact CZ-CB 3.62Å | ||
| 603 | D | 93.6 | Very high | 87.8 | Confident | 68 Ų | 68 | 51.5 Ų | 51.5 | 36% | 0.364 | 28% | 0.28 | S | S | . | . | trans | -89.1 | 103.6 | 178.4 | -178.1 | -21.4 | 0 | 0 | 0 | 109 | P593 A605 R606 C607 | P593-D603 PolarHBondContact O-N 3.39Å; D603-A605 PolarHBondContact O-N 3.04Å; D603-A605 PolarHBondContact OD1-N 3.46Å; D603-R606 HydrophobicContact CB-CB 3.97Å; D603-R606 VanDerWaalsContact CG-CB 3.47Å; D603-R606 PolarHBondContact O-N 3.34Å; D603-R606 PolarHBondContact OD1-N 2.89Å; D603-R606 VanDerWaalsContact OD1-N 3.08Å; D603-C607 VanDerWaalsContact O-CB 3.32Å; D603-C607 WeakPolarHBondContact O-CB 3.47Å; D603-C607 PolarHBondContact O-N 2.97Å; D603-C607 PolarHBondContact O-SG 2.82Å | ||
| 604 | D | 91.3 | Very high | 87.3 | Confident | 68 Ų | 68 | 51.7 Ų | 51.7 | 36% | 0.364 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.4 | -47.4 | -175.8 | -65.6 | -54.1 | 0 | 0 | 0 | 111.7 | K30 F602 R606 C607 Q608 | K30-D604 WeakPolarHBondContact CD-OD1 3.36Å; K30-D604 VanDerWaalsContact NZ-CG 3.32Å; K30-D604 IonicContact NZ-OD1 2.68Å; K30-D604 PolarHBondContact NZ-OD1 2.89Å; K30-D604 IonicContact NZ-OD2 2.71Å; K30-D604 PolarHBondContact NZ-OD2 2.92Å; F602-D604 WeakPolarHBondContact CD1-OD1 3.29Å; D604-R606 VanDerWaalsContact C-N 3.35Å; D604-R606 PolarHBondContact O-N 2.9Å; D604-C607 PolarHBondContact O-N 3.28Å; D604-Q608 WeakPolarHBondContact O-CB 3.06Å; D604-Q608 PolarHBondContact O-N 2.83Å |
| 605 | A | 88.5 | Confident | 86.8 | Confident | 70 Ų | 70 | 51.6 Ų | 51.6 | 58% | 0.579 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -64.2 | -41.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | D603 H609 | D603-A605 PolarHBondContact O-N 3.04Å; D603-A605 PolarHBondContact OD1-N 3.46Å; A605-H609 PolarHBondContact O-N 2.62Å |
| 606 | R | 85.6 | Confident | 87 | Confident | 43 Ų | 43 | 48.4 Ų | 48.4 | 16% | 0.162 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -71.4 | -43.3 | 178.9 | -166 | -165.6 | -178.7 | 102.3 | -2.1 | 112.5 | E103 E595 D603 D604 Q608 H609 Q610 | E103-R606 IonicContact OE2-CZ 3.39Å; E103-R606 IonicContact OE2-NE 3.27Å; E103-R606 PolarHBondContact OE2-NE 3.1Å; E103-R606 IonicContact OE2-NH2 3.38Å; E103-R606 PolarHBondContact OE2-NH2 3.35Å; E595-R606 VanDerWaalsContact CD-NH1 3.27Å; E595-R606 IonicContact OE1-CZ 2.98Å; E595-R606 IonicContact OE1-NH1 3.15Å; E595-R606 PolarHBondContact OE1-NH1 3.08Å; E595-R606 IonicContact OE1-NH2 3.76Å; E595-R606 PolarHBondContact OE1-NH2 3.34Å; D603-R606 HydrophobicContact CB-CB 3.97Å; D603-R606 VanDerWaalsContact CG-CB 3.47Å; D603-R606 PolarHBondContact O-N 3.34Å; D603-R606 PolarHBondContact OD1-N 2.89Å; D603-R606 VanDerWaalsContact OD1-N 3.08Å; D604-R606 VanDerWaalsContact C-N 3.35Å; D604-R606 PolarHBondContact O-N 2.9Å; R606-Q608 VanDerWaalsContact C-N 3.28Å; R606-Q608 PolarHBondContact O-N 2.81Å; R606-H609 PolarHBondContact O-N 3.05Å; R606-Q610 WeakPolarHBondContact O-CG 3.44Å; R606-Q610 PolarHBondContact O-N 3.09Å; R606-Q610 PolarHBondContact O-NE2 3.12Å |
| 607 | C | 91 | Very high | 86.9 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.1 | -37.1 | 178.3 | -67.7 | 0 | 0 | 0 | 0 | 110.5 | M26 I591 F602 D603 D604 Q610 V611 | M26-C607 HydrophobicContact CE-CB 3.4Å; M26-C607 VanDerWaalsContact CE-CB 3.4Å; M26-C607 HydrophobicContact SD-CB 4.42Å; I591-C607 HydrophobicContact CG2-CB 4.45Å; F602-C607 HydrophobicContact CE1-CB 3.86Å; F602-C607 HydrophobicContact CE2-CB 4.31Å; F602-C607 HydrophobicContact CZ-CB 3.62Å; D603-C607 VanDerWaalsContact O-CB 3.32Å; D603-C607 WeakPolarHBondContact O-CB 3.47Å; D603-C607 PolarHBondContact O-N 2.97Å; D603-C607 PolarHBondContact O-SG 2.82Å; D604-C607 PolarHBondContact O-N 3.28Å; C607-Q610 CarbonylContact O-C 3.54Å; C607-Q610 WeakPolarHBondContact O-CB 3.36Å; C607-Q610 PolarHBondContact O-N 3.49Å; C607-Q610 VanDerWaalsContact O-N 3.15Å; C607-V611 VanDerWaalsContact O-CG2 3.28Å; C607-V611 WeakPolarHBondContact O-CG2 3.39Å; C607-V611 PolarHBondContact O-N 2.68Å |
| 608 | Q | 90.3 | Very high | 86.6 | Confident | 94 Ų | 94 | 42.5 Ų | 42.5 | 44% | 0.439 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.9 | -45.6 | 172.6 | -178.1 | 177 | 1.6 | 0 | 0 | 112 | M22 M26 D604 R606 Q610 V611 A612 | M22-Q608 HydrophobicContact CE-CG 4.42Å; M22-Q608 HydrophobicContact CG-CG 3.67Å; M22-Q608 HydrophobicContact SD-CG 3.85Å; M26-Q608 HydrophobicContact CE-CB 4.4Å; M26-Q608 HydrophobicContact CG-CB 4.29Å; M26-Q608 HydrophobicContact SD-CB 4.22Å; D604-Q608 WeakPolarHBondContact O-CB 3.06Å; D604-Q608 PolarHBondContact O-N 2.83Å; R606-Q608 VanDerWaalsContact C-N 3.28Å; R606-Q608 PolarHBondContact O-N 2.81Å; Q608-Q610 VanDerWaalsContact C-N 3.29Å; Q608-Q610 PolarHBondContact O-N 3.05Å; Q608-V611 PolarHBondContact O-N 2.93Å; Q608-A612 PolarHBondContact O-N 2.87Å |
| 609 | H | 84 | Confident | 86.3 | Confident | 80 Ų | 80 | 41.6 Ų | 41.6 | 37% | 0.37 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.5 | -42.2 | 173.8 | -174.7 | -93.8 | 0 | 0 | 0 | 111.5 | A605 R606 A612 Y613 | A605-H609 PolarHBondContact O-N 2.62Å; R606-H609 PolarHBondContact O-N 3.05Å; H609-A612 PolarHBondContact O-N 2.66Å; H609-Y613 AromaticContact CE1-CD1 3.95Å; H609-Y613 AromaticContact ND1-CD1 3.7Å; H609-Y613 WeakPolarHBondContact O-CD1 3.13Å; H609-Y613 PolarHBondContact O-N 3Å |
| 610 | Q | 88.1 | Confident | 86.1 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.1 | -41.5 | 175.8 | -71.6 | 173 | 86.8 | 0 | 0 | 114.1 | I591 K592 R606 C607 Q608 A612 Y613 L614 | I591-Q610 HydrophobicContact CG2-CB 4.39Å; K592-Q610 PolarHBondContact O-NE2 3.27Å; R606-Q610 WeakPolarHBondContact O-CG 3.44Å; R606-Q610 PolarHBondContact O-N 3.09Å; R606-Q610 PolarHBondContact O-NE2 3.12Å; C607-Q610 CarbonylContact O-C 3.54Å; C607-Q610 WeakPolarHBondContact O-CB 3.36Å; C607-Q610 PolarHBondContact O-N 3.49Å; C607-Q610 VanDerWaalsContact O-N 3.15Å; Q608-Q610 VanDerWaalsContact C-N 3.29Å; Q608-Q610 PolarHBondContact O-N 3.05Å; Q610-A612 VanDerWaalsContact C-N 3.29Å; Q610-A612 PolarHBondContact O-N 3.08Å; Q610-Y613 HydrophobicContact CB-CE1 3.84Å; Q610-Y613 HydrophobicContact CG-CD1 4.49Å; Q610-Y613 HydrophobicContact CG-CE1 3.48Å; Q610-Y613 VanDerWaalsContact CG-CE1 3.48Å; Q610-Y613 WeakPolarHBondContact CG-OH 3.31Å; Q610-L614 WeakPolarHBondContact O-CB 3.33Å; Q610-L614 WeakPolarHBondContact O-CD1 3.45Å; Q610-L614 WeakPolarHBondContact O-CG 3.46Å; Q610-L614 PolarHBondContact O-N 2.82Å |
| 611 | V | 88.9 | Confident | 85.7 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.4 | -41.4 | 176.4 | 169.2 | 0 | 0 | 0 | 0 | 110.6 | M22 F25 M26 L29 I591 C607 Q608 L616 | M22-V611 HydrophobicContact CE-CB 4.46Å; M22-V611 HydrophobicContact CE-CG1 3.96Å; M22-V611 HydrophobicContact SD-CB 4.13Å; M22-V611 HydrophobicContact SD-CG1 3.64Å; F25-V611 HydrophobicContact CD1-CB 4.46Å; F25-V611 HydrophobicContact CD1-CG1 3.61Å; F25-V611 HydrophobicContact CD1-CG2 3.93Å; F25-V611 HydrophobicContact CE1-CB 4.31Å; F25-V611 HydrophobicContact CE1-CG1 3.62Å; F25-V611 HydrophobicContact CE1-CG2 3.6Å; F25-V611 HydrophobicContact CG-CG1 4.24Å; F25-V611 HydrophobicContact CZ-CG1 4.22Å; M26-V611 HydrophobicContact SD-CB 4.34Å; M26-V611 HydrophobicContact SD-CG2 3.72Å; L29-V611 HydrophobicContact CD2-CG2 4.09Å; I591-V611 HydrophobicContact CD1-CG2 4.1Å; C607-V611 VanDerWaalsContact O-CG2 3.28Å; C607-V611 WeakPolarHBondContact O-CG2 3.39Å; C607-V611 PolarHBondContact O-N 2.68Å; Q608-V611 PolarHBondContact O-N 2.93Å; V611-L616 HydrophobicContact CG1-CB 4.08Å; V611-L616 HydrophobicContact CG2-CD1 4.2Å; V611-L616 PolarHBondContact O-N 3.21Å; V611-L616 VanDerWaalsContact O-N 3.1Å |
| 612 | A | 81.4 | Confident | 84.9 | Confident | 37 Ų | 37 | 34.3 Ų | 34.3 | 31% | 0.306 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.3 | -56.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | M22 Q608 H609 Q610 L614 G615 | M22-A612 HydrophobicContact CE-CB 4.04Å; Q608-A612 PolarHBondContact O-N 2.87Å; H609-A612 PolarHBondContact O-N 2.66Å; Q610-A612 VanDerWaalsContact C-N 3.29Å; Q610-A612 PolarHBondContact O-N 3.08Å; A612-L614 VanDerWaalsContact C-N 3.32Å; A612-L614 PolarHBondContact O-N 3.05Å; A612-G615 PolarHBondContact O-N 2.98Å |
| 613 | Y | 76.3 | Confident | 84.2 | Confident | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.008 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -73.4 | -20.6 | -176.4 | 83 | -108.8 | 0 | 0 | 0 | 114.2 | E103 F388 Y509 A510 H609 Q610 G615 | E103-Y613 VanDerWaalsContact CB-OH 3.25Å; E103-Y613 WeakPolarHBondContact CB-OH 3.22Å; E103-Y613 HydrophobicContact CG-CE1 4.11Å; E103-Y613 WeakPolarHBondContact CG-OH 3.48Å; E103-Y613 PolarHBondContact N-OH 2.96Å; E103-Y613 WeakPolarHBondContact OE1-CE1 3.34Å; F388-Y613 HydrophobicContact CB-CD2 3.78Å; F388-Y613 HydrophobicContact CB-CE2 4.03Å; F388-Y613 HydrophobicContact CG-CD2 4.49Å; Y509-Y613 WeakPolarHBondContact CE2-O 3.21Å; Y509-Y613 PolarHBondContact OH-O 3.17Å; Y509-Y613 VanDerWaalsContact OH-O 3.1Å; A510-Y613 VanDerWaalsContact CA-CB 3.49Å; A510-Y613 HydrophobicContact CB-CG 4.32Å; H609-Y613 AromaticContact CE1-CD1 3.95Å; H609-Y613 AromaticContact ND1-CD1 3.7Å; H609-Y613 WeakPolarHBondContact O-CD1 3.13Å; H609-Y613 PolarHBondContact O-N 3Å; Q610-Y613 HydrophobicContact CB-CE1 3.84Å; Q610-Y613 HydrophobicContact CG-CD1 4.49Å; Q610-Y613 HydrophobicContact CG-CE1 3.48Å; Q610-Y613 VanDerWaalsContact CG-CE1 3.48Å; Q610-Y613 WeakPolarHBondContact CG-OH 3.31Å; Y613-G615 PolarHBondContact O-N 2.96Å |
| 614 | L | 82.2 | Confident | 83.3 | Confident | 4 Ų | 4 | 33.5 Ų | 33.5 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -3.1 | 171.9 | -71.4 | 170.8 | 0 | 0 | 0 | 112.2 | I591 Q610 A612 L616 | I591-L614 HydrophobicContact CG1-CD1 4.01Å; Q610-L614 WeakPolarHBondContact O-CB 3.33Å; Q610-L614 WeakPolarHBondContact O-CD1 3.45Å; Q610-L614 WeakPolarHBondContact O-CG 3.46Å; Q610-L614 PolarHBondContact O-N 2.82Å; A612-L614 VanDerWaalsContact C-N 3.32Å; A612-L614 PolarHBondContact O-N 3.05Å; L614-L616 HydrophobicContact CB-CD1 4.3Å; L614-L616 HydrophobicContact CB-CD2 4.04Å; L614-L616 HydrophobicContact CB-CG 3.75Å; L614-L616 HydrophobicContact CD1-CD1 4.39Å; L614-L616 PolarHBondContact O-N 3.24Å |
| 615 | G | 79.3 | Confident | 82.4 | Confident | 2 Ų | 2 | 32.2 Ų | 32.2 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | 28.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A612 Y613 E618 N619 | A612-G615 PolarHBondContact O-N 2.98Å; Y613-G615 PolarHBondContact O-N 2.96Å; G615-E618 WeakPolarHBondContact CA-OE2 3.47Å; G615-N619 WeakPolarHBondContact O-CB 3.47Å; G615-N619 PolarHBondContact O-N 2.79Å; G615-N619 PolarHBondContact O-ND2 3.43Å |
| 616 | L | 87.1 | Confident | 81.8 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -71.6 | -36.2 | -172.1 | -62.4 | -175.7 | 0 | 0 | 0 | 111.9 | F25 I42 V47 R589 I591 V611 L614 N619 V620 | F25-L616 HydrophobicContact CE1-CB 4.49Å; F25-L616 HydrophobicContact CE1-CD1 4.37Å; F25-L616 HydrophobicContact CE2-CB 4.29Å; F25-L616 HydrophobicContact CZ-CB 3.82Å; F25-L616 HydrophobicContact CZ-CD1 4.12Å; I42-L616 HydrophobicContact CD1-CB 4.03Å; I42-L616 HydrophobicContact CD1-CD2 3.9Å; I42-L616 HydrophobicContact CD1-CG 4.45Å; V47-L616 HydrophobicContact CG1-CD1 4.17Å; V47-L616 HydrophobicContact CG2-CD1 4.06Å; V47-L616 HydrophobicContact CG2-CD2 4.21Å; R589-L616 HydrophobicContact CB-CD2 3.68Å; R589-L616 HydrophobicContact CG-CD2 3.63Å; I591-L616 HydrophobicContact CD1-CD1 3.83Å; V611-L616 HydrophobicContact CG1-CB 4.08Å; V611-L616 HydrophobicContact CG2-CD1 4.2Å; V611-L616 PolarHBondContact O-N 3.21Å; V611-L616 VanDerWaalsContact O-N 3.1Å; L614-L616 HydrophobicContact CB-CD1 4.3Å; L614-L616 HydrophobicContact CB-CD2 4.04Å; L614-L616 HydrophobicContact CB-CG 3.75Å; L614-L616 HydrophobicContact CD1-CD1 4.39Å; L614-L616 PolarHBondContact O-N 3.24Å; L616-N619 WeakPolarHBondContact O-CB 3.49Å; L616-N619 PolarHBondContact O-N 2.88Å; L616-V620 WeakPolarHBondContact O-CG2 3.26Å; L616-V620 PolarHBondContact O-N 3.39Å |
| 617 | L | 84.8 | Confident | 81.5 | Confident | 17 Ų | 17 | 28.4 Ų | 28.4 | 9% | 0.089 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -70.1 | -44.4 | 179.3 | -169.3 | 69.5 | 0 | 0 | 0 | 110.2 | V20 M22 F25 N619 V620 M621 | V20-L617 HydrophobicContact CG1-CD1 3.51Å; V20-L617 HydrophobicContact CG1-CG 4.14Å; M22-L617 HydrophobicContact CB-CD2 4.4Å; M22-L617 HydrophobicContact CE-CD2 4.24Å; F25-L617 HydrophobicContact CB-CD1 4.32Å; F25-L617 HydrophobicContact CD2-CD1 4.28Å; L617-N619 VanDerWaalsContact C-N 3.28Å; L617-N619 PolarHBondContact O-N 3.34Å; L617-V620 WeakPolarHBondContact O-CB 3.28Å; L617-V620 PolarHBondContact O-N 2.94Å; L617-V620 VanDerWaalsContact O-N 3.1Å; L617-M621 HydrophobicContact CD2-CE 4.06Å; L617-M621 HydrophobicContact CG-CE 4.05Å; L617-M621 WeakPolarHBondContact O-CG 3.34Å; L617-M621 PolarHBondContact O-N 2.79Å |
| 618 | E | 77.4 | Confident | 80.5 | Confident | 91 Ų | 91 | 29.1 Ų | 29.1 | 43% | 0.425 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -59.5 | -40.6 | 175.1 | -64.1 | 74.4 | -167.5 | 0 | 0 | 110.6 | G615 V620 M621 V622 | G615-E618 WeakPolarHBondContact CA-OE2 3.47Å; E618-V620 VanDerWaalsContact C-N 3.34Å; E618-V620 PolarHBondContact O-N 3.23Å; E618-M621 WeakPolarHBondContact O-CB 3.38Å; E618-M621 PolarHBondContact O-N 3.13Å; E618-M621 VanDerWaalsContact O-N 3.16Å; E618-V622 WeakPolarHBondContact O-CG2 3.49Å; E618-V622 PolarHBondContact O-N 3.09Å |
| 619 | N | 80.8 | Confident | 79.9 | Confident | 9 Ų | 9 | 26 Ų | 26 | 5% | 0.048 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.4 | -42.9 | 173.5 | -80.5 | -35.4 | 0 | 0 | 0 | 113.1 | I42 F412 G615 L616 L617 M621 R623 | I42-N619 HydrophobicContact CG2-CB 4.15Å; F412-N619 VanDerWaalsContact CE1-ND2 3.31Å; F412-N619 WeakPolarHBondContact CE1-ND2 3.5Å; F412-N619 WeakPolarHBondContact CE1-OD1 3.37Å; F412-N619 VanDerWaalsContact CZ-ND2 3.34Å; F412-N619 WeakPolarHBondContact CZ-ND2 3.46Å; F412-N619 WeakPolarHBondContact CZ-OD1 3.05Å; G615-N619 WeakPolarHBondContact O-CB 3.47Å; G615-N619 PolarHBondContact O-N 2.79Å; G615-N619 PolarHBondContact O-ND2 3.43Å; L616-N619 WeakPolarHBondContact O-CB 3.49Å; L616-N619 PolarHBondContact O-N 2.88Å; L617-N619 VanDerWaalsContact C-N 3.28Å; L617-N619 PolarHBondContact O-N 3.34Å; N619-M621 VanDerWaalsContact C-N 3.34Å; N619-R623 WeakPolarHBondContact O-CB 3.2Å; N619-R623 WeakPolarHBondContact O-CG 3.49Å; N619-R623 PolarHBondContact O-N 3.05Å; N619-R623 VanDerWaalsContact O-N 3.13Å |
| 620 | V | 84.7 | Confident | 79.8 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.9 | -41.6 | 175.4 | 177.6 | 0 | 0 | 0 | 0 | 110 | F14 V20 F25 I42 L616 L617 E618 R623 R624 | F14-V620 HydrophobicContact CB-CG2 3.7Å; V20-V620 HydrophobicContact CB-CG1 4.47Å; V20-V620 HydrophobicContact CG1-CB 4.03Å; V20-V620 HydrophobicContact CG1-CG1 3.73Å; V20-V620 HydrophobicContact CG2-CG1 3.81Å; F25-V620 HydrophobicContact CD2-CG2 4.42Å; F25-V620 HydrophobicContact CE2-CG2 3.97Å; I42-V620 HydrophobicContact CB-CG2 4.5Å; I42-V620 HydrophobicContact CD1-CG2 4.19Å; I42-V620 HydrophobicContact CG1-CG2 4.11Å; I42-V620 HydrophobicContact CG2-CG2 3.65Å; L616-V620 WeakPolarHBondContact O-CG2 3.26Å; L616-V620 PolarHBondContact O-N 3.39Å; L617-V620 WeakPolarHBondContact O-CB 3.28Å; L617-V620 PolarHBondContact O-N 2.94Å; L617-V620 VanDerWaalsContact O-N 3.1Å; E618-V620 VanDerWaalsContact C-N 3.34Å; E618-V620 PolarHBondContact O-N 3.23Å; V620-R623 PolarHBondContact O-N 2.9Å; V620-R624 HydrophobicContact CG1-CG 4.31Å; V620-R624 WeakPolarHBondContact O-CB 3.39Å; V620-R624 WeakPolarHBondContact O-CG 3.43Å; V620-R624 PolarHBondContact O-N 3.08Å |
| 621 | M | 79.3 | Confident | 79.5 | Confident | 91 Ų | 91 | 25.5 Ų | 25.5 | 45% | 0.448 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -62.2 | -48.8 | 178.4 | -69.9 | -174.5 | 178 | 0 | 0 | 112.1 | V20 L617 E618 N619 R623 R624 A625 | V20-M621 HydrophobicContact CB-CG 4.38Å; V20-M621 HydrophobicContact CG1-CE 4.12Å; V20-M621 HydrophobicContact CG1-CG 3.69Å; L617-M621 HydrophobicContact CD2-CE 4.06Å; L617-M621 HydrophobicContact CG-CE 4.05Å; L617-M621 WeakPolarHBondContact O-CG 3.34Å; L617-M621 PolarHBondContact O-N 2.79Å; E618-M621 WeakPolarHBondContact O-CB 3.38Å; E618-M621 PolarHBondContact O-N 3.13Å; E618-M621 VanDerWaalsContact O-N 3.16Å; N619-M621 VanDerWaalsContact C-N 3.34Å; M621-R623 VanDerWaalsContact C-N 3.31Å; M621-R623 PolarHBondContact O-N 3.33Å; M621-R624 PolarHBondContact O-N 3.34Å; M621-A625 WeakPolarHBondContact O-CB 3.45Å; M621-A625 PolarHBondContact O-N 3.24Å |
| 622 | V | 76.4 | Confident | 79.4 | Confident | 20 Ų | 20 | 29.7 Ų | 29.7 | 12% | 0.121 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.8 | -42.7 | 177.7 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | I416 L417 I434 E618 | I416-V622 HydrophobicContact CG2-CG1 4.49Å; L417-V622 HydrophobicContact CD2-CG1 3.8Å; I434-V622 HydrophobicContact CG2-CG1 4.49Å; I434-V622 HydrophobicContact CG2-CG2 4.44Å; E618-V622 WeakPolarHBondContact O-CG2 3.49Å; E618-V622 PolarHBondContact O-N 3.09Å |
| 623 | R | 76.7 | Confident | 79.8 | Confident | 23 Ų | 23 | 28.4 Ų | 28.4 | 9% | 0.087 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -69.7 | -35 | 177.6 | -73.2 | -171.8 | -179 | -115 | 0.4 | 113.4 | V15 I42 N619 V620 M621 | V15-R623 HydrophobicContact CG2-CB 4.15Å; I42-R623 PolarHBondContact O-NE 3.47Å; N619-R623 WeakPolarHBondContact O-CB 3.2Å; N619-R623 WeakPolarHBondContact O-CG 3.49Å; N619-R623 PolarHBondContact O-N 3.05Å; N619-R623 VanDerWaalsContact O-N 3.13Å; V620-R623 PolarHBondContact O-N 2.9Å; M621-R623 VanDerWaalsContact C-N 3.31Å; M621-R623 PolarHBondContact O-N 3.33Å |
| 624 | R | 75.5 | Confident | 80.4 | Confident | 52 Ų | 52 | 31.4 Ų | 31.4 | 20% | 0.196 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -78.4 | -25.3 | 176.3 | -76.9 | -171.6 | 98.6 | 176.6 | -1.3 | 113.8 | V15 L17 D18 V20 V620 M621 G626 | V15-R624 HydrophobicContact CG1-CG 4.04Å; L17-R624 PolarHBondContact O-NH1 2.72Å; L17-R624 PolarHBondContact O-NH2 3.2Å; D18-R624 PolarHBondContact O-NH1 3.03Å; D18-R624 VanDerWaalsContact O-NH1 3.11Å; D18-R624 PolarHBondContact O-NH2 3.41Å; V20-R624 HydrophobicContact CG2-CG 4.42Å; V620-R624 HydrophobicContact CG1-CG 4.31Å; V620-R624 WeakPolarHBondContact O-CB 3.39Å; V620-R624 WeakPolarHBondContact O-CG 3.43Å; V620-R624 PolarHBondContact O-N 3.08Å; M621-R624 PolarHBondContact O-N 3.34Å; R624-G626 PolarHBondContact O-N 3.24Å |
| 625 | A | 72.4 | Confident | 80.4 | Confident | 42 Ų | 42 | 35.5 Ų | 35.5 | 35% | 0.347 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -61.9 | -33.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | I434 M621 | I434-A625 HydrophobicContact CB-CB 4.42Å; I434-A625 HydrophobicContact CD1-CB 4.18Å; I434-A625 HydrophobicContact CG1-CB 3.97Å; I434-A625 HydrophobicContact CG2-CB 3.73Å; M621-A625 WeakPolarHBondContact O-CB 3.45Å; M621-A625 PolarHBondContact O-N 3.24Å |
| 626 | G | 75.8 | Confident | 80.8 | Confident | 8 Ų | 8 | 35.4 Ų | 35.4 | 8% | 0.082 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -81.7 | -137.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y424 R624 | Y424-G626 WeakPolarHBondContact OH-CA 3.38Å; R624-G626 PolarHBondContact O-N 3.24Å |
| 627 | F | 78.6 | Confident | 81 | Confident | 24 Ų | 24 | 36 Ų | 36 | 11% | 0.105 | 18% | 0.178 | C | C | . | . | trans | -100.5 | 116.3 | 173.2 | -65.3 | -85.2 | 0 | 0 | 0 | 110.2 | Y424 I429 Y629 R630 A674 F681 V682 R683 | Y424-F627 HydrophobicContact CE1-CD2 4.06Å; Y424-F627 HydrophobicContact CE2-CD2 4.11Å; Y424-F627 HydrophobicContact CE2-CE2 4.37Å; Y424-F627 AromaticContact CZ-CD2 3.66Å; Y424-F627 PolarHBondContact OH-N 3.18Å; I429-F627 HydrophobicContact CG2-CE2 3.6Å; I429-F627 HydrophobicContact CG2-CZ 4.17Å; F627-Y629 PolarHBondContact O-N 2.72Å; F627-R630 PolarHBondContact O-NH2 3.17Å; F627-A674 HydrophobicContact CD1-CB 4.37Å; F627-A674 HydrophobicContact CE1-CB 3.4Å; F627-A674 VanDerWaalsContact CE1-CB 3.4Å; F627-A674 HydrophobicContact CE2-CB 4.04Å; F627-A674 HydrophobicContact CZ-CB 3.21Å; F627-F681 HydrophobicContact CB-CB 3.86Å; F627-F681 HydrophobicContact CB-CD1 3.91Å; F627-F681 HydrophobicContact CB-CG 4.41Å; F627-F681 HydrophobicContact CD1-CB 3.64Å; F627-F681 HydrophobicContact CD2-CB 3.97Å; F627-F681 AromaticContact CD2-CD1 3.97Å; F627-F681 HydrophobicContact CD2-CD1 3.97Å; F627-F681 HydrophobicContact CD2-CG 4.37Å; F627-F681 HydrophobicContact CE1-CB 4.18Å; F627-F681 HydrophobicContact CE2-CB 4.5Å; F627-F681 HydrophobicContact CG-CB 3.54Å; F627-F681 HydrophobicContact CG-CD1 4.05Å; F627-F681 HydrophobicContact CG-CG 4.29Å; F627-V682 CarbonylContact C-O 3.37Å; F627-R683 HydrophobicContact CD1-CB 4.02Å; F627-R683 HydrophobicContact CE1-CB 4.28Å | ||
| 628 | A | 71 | Confident | 81.1 | Confident | 15 Ų | 15 | 41.9 Ų | 41.9 | 12% | 0.124 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -59.1 | -30.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | V15 V682 R683 P685 | V15-A628 HydrophobicContact CG1-CB 3.64Å; V15-A628 VanDerWaalsContact CG1-O 3.23Å; V15-A628 WeakPolarHBondContact CG1-O 3.5Å; A628-V682 PolarHBondContact N-O 3.23Å; A628-R683 WeakPolarHBondContact CB-O 3.3Å; A628-P685 HydrophobicContact CB-CG 4.48Å |
| 629 | Y | 77.1 | Confident | 81.5 | Confident | 29 Ų | 29 | 40.4 Ų | 40.4 | 11% | 0.114 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 146.2 | -175.2 | 177 | -94.8 | 0 | 0 | 0 | 113 | M1 F627 Q631 F681 V682 L688 | M1-Y629 HydrophobicContact CE-CE1 4.43Å; M1-Y629 HydrophobicContact CE-CE2 4.05Å; M1-Y629 WeakPolarHBondContact CE-OH 3.4Å; M1-Y629 HydrophobicContact SD-CE2 3.93Å; M1-Y629 PolarHBondContact SD-OH 3.3Å; F627-Y629 PolarHBondContact O-N 2.72Å; Y629-Q631 HydrophobicContact CE1-CB 3.63Å; Y629-Q631 HydrophobicContact CE1-CG 4.47Å; Y629-Q631 WeakPolarHBondContact OH-CB 3.3Å; Y629-Q631 WeakPolarHBondContact OH-CG 3.35Å; Y629-Q631 PolarHBondContact OH-OE1 2.98Å; Y629-F681 CarbonylContact O-C 3.43Å; Y629-F681 WeakPolarHBondContact O-CA 3.41Å; Y629-V682 HydrophobicContact CD1-CB 4.33Å; Y629-V682 HydrophobicContact CD1-CG2 4.09Å; Y629-V682 PolarHBondContact N-O 3.27Å; Y629-V682 PolarHBondContact O-N 2.83Å; Y629-L688 HydrophobicContact CD1-CD1 3.49Å; Y629-L688 VanDerWaalsContact CD1-CD1 3.49Å; Y629-L688 HydrophobicContact CD1-CD2 3.67Å; Y629-L688 HydrophobicContact CD1-CG 4.12Å; Y629-L688 HydrophobicContact CD2-CD1 3.76Å; Y629-L688 HydrophobicContact CE1-CD1 4.09Å; Y629-L688 HydrophobicContact CE1-CD2 3.72Å; Y629-L688 HydrophobicContact CE2-CD1 4.35Å; Y629-L688 HydrophobicContact CG-CD1 3.29Å; Y629-L688 HydrophobicContact CG-CD2 4.37Å; Y629-L688 HydrophobicContact CG-CG 4.38Å |
| 630 | R | 81.7 | Confident | 81.8 | Confident | 60 Ų | 60 | 40 Ų | 40 | 23% | 0.226 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 132.3 | -173.6 | -55.4 | 172.8 | -166.6 | 153.2 | 16.6 | 110.4 | E420 F627 L680 F681 | E420-R630 VanDerWaalsContact CD-NH1 3.32Å; E420-R630 IonicContact OE1-CZ 3.04Å; E420-R630 VanDerWaalsContact OE1-CZ 3.32Å; E420-R630 IonicContact OE1-NH1 2.75Å; E420-R630 PolarHBondContact OE1-NH1 3.36Å; E420-R630 IonicContact OE1-NH2 2.7Å; E420-R630 PolarHBondContact OE1-NH2 3.05Å; E420-R630 IonicContact OE2-CZ 3.44Å; E420-R630 IonicContact OE2-NH1 2.75Å; E420-R630 PolarHBondContact OE2-NH1 3.03Å; E420-R630 IonicContact OE2-NH2 2.65Å; E420-R630 PolarHBondContact OE2-NH2 2.81Å; F627-R630 PolarHBondContact O-NH2 3.17Å; R630-L680 WeakPolarHBondContact CA-O 3.38Å; R630-F681 HydrophobicContact CG-CD1 3.59Å; R630-F681 HydrophobicContact CG-CE1 3.71Å; R630-F681 HydrophobicContact CG-CG 4.24Å; R630-F681 HydrophobicContact CG-CZ 4.44Å |
| 631 | Q | 83.3 | Confident | 82.1 | Confident | 9 Ų | 9 | 42.5 Ų | 42.5 | 4% | 0.042 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 137.1 | 179.6 | -168.1 | 58.7 | 67.2 | 0 | 0 | 111.5 | Y72 Y629 R635 F636 K679 L680 | Y72-Q631 VanDerWaalsContact CE2-OE1 3.28Å; Y72-Q631 PolarHBondContact OH-NE2 3.39Å; Y72-Q631 VanDerWaalsContact OH-NE2 3.12Å; Y629-Q631 HydrophobicContact CE1-CB 3.63Å; Y629-Q631 HydrophobicContact CE1-CG 4.47Å; Y629-Q631 WeakPolarHBondContact OH-CB 3.3Å; Y629-Q631 WeakPolarHBondContact OH-CG 3.35Å; Y629-Q631 PolarHBondContact OH-OE1 2.98Å; Q631-R635 HydrophobicContact CG-CB 4.13Å; Q631-R635 VanDerWaalsContact NE2-CB 3.26Å; Q631-F636 HydrophobicContact CB-CB 4.38Å; Q631-F636 HydrophobicContact CB-CD2 4.29Å; Q631-F636 HydrophobicContact CG-CB 3.99Å; Q631-F636 HydrophobicContact CG-CD2 4.46Å; Q631-K679 CarbonylContact O-C 3.54Å; Q631-K679 WeakPolarHBondContact O-CA 3.33Å; Q631-L680 PolarHBondContact N-O 3.39Å; Q631-L680 PolarHBondContact O-N 2.85Å |
| 632 | Q | 85.9 | Confident | 82.5 | Confident | 89 Ų | 89 | 39.9 Ų | 39.9 | 42% | 0.416 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 140.4 | 170.9 | -70.4 | -176.6 | -21.4 | 0 | 0 | 111.2 | P634 R635 F636 K679 | Q632-P634 VanDerWaalsContact C-CD 3.49Å; Q632-R635 PolarHBondContact O-N 3.28Å; Q632-R635 VanDerWaalsContact O-N 3.17Å; Q632-F636 PolarHBondContact O-N 2.81Å; Q632-F636 VanDerWaalsContact O-N 3.1Å; Q632-K679 HydrophobicContact CG-CG 3.98Å |
| 633 | Y | 89.9 | Confident | 83.1 | Confident | 10 Ų | 10 | 39.4 Ų | 39.4 | 4% | 0.039 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -51.5 | -47.8 | -177 | -63.5 | -64.8 | 0 | 0 | 0 | 114.4 | R635 F636 L637 R657 V660 Y675 G676 T678 K679 L680 | Y633-R635 VanDerWaalsContact C-N 3.28Å; Y633-R635 PolarHBondContact O-N 3.13Å; Y633-F636 PolarHBondContact O-N 3.41Å; Y633-L637 VanDerWaalsContact O-CB 3.27Å; Y633-L637 WeakPolarHBondContact O-CB 3.4Å; Y633-L637 PolarHBondContact O-N 3.32Å; Y633-R657 HydrophobicContact CD1-CB 4.31Å; Y633-R657 HydrophobicContact CD2-CB 4.13Å; Y633-R657 HydrophobicContact CE1-CB 4.16Å; Y633-R657 HydrophobicContact CE1-CG 3.98Å; Y633-R657 HydrophobicContact CE2-CB 3.98Å; Y633-R657 HydrophobicContact CE2-CG 4.14Å; Y633-R657 HydrophobicContact CG-CB 4.29Å; Y633-V660 HydrophobicContact CD1-CB 3.9Å; Y633-V660 HydrophobicContact CD1-CG1 4.05Å; Y633-V660 HydrophobicContact CD1-CG2 3.94Å; Y633-V660 HydrophobicContact CE1-CB 4.46Å; Y633-V660 HydrophobicContact CE1-CG1 4.35Å; Y633-Y675 HydrophobicContact CE1-CD1 4.23Å; Y633-Y675 WeakPolarHBondContact OH-CA 3.47Å; Y633-G676 PolarHBondContact OH-N 3.45Å; Y633-G676 PolarHBondContact OH-O 3.31Å; Y633-T678 VanDerWaalsContact CD2-C 3.46Å; Y633-T678 VanDerWaalsContact CD2-O 3.24Å; Y633-T678 WeakPolarHBondContact CD2-O 3.27Å; Y633-T678 VanDerWaalsContact CE2-C 3.46Å; Y633-T678 PolarHBondContact N-O 3.31Å; Y633-K679 PolarHBondContact OH-O 3.35Å; Y633-L680 HydrophobicContact CD1-CB 4.36Å; Y633-L680 HydrophobicContact CE1-CB 4.04Å |
| 634 | P | 87.9 | Confident | 83.7 | Confident | 65 Ų | 65 | 38.3 Ų | 38.3 | 42% | 0.422 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -61.2 | -36.5 | -177.1 | -20.1 | 29.7 | 0 | 0 | 0 | 113 | Q632 Q638 D656 | Q632-P634 VanDerWaalsContact C-CD 3.49Å; P634-Q638 VanDerWaalsContact O-CB 3.31Å; P634-Q638 WeakPolarHBondContact O-CB 3.02Å; P634-Q638 PolarHBondContact O-N 2.87Å; P634-D656 WeakPolarHBondContact CA-OD2 3.42Å; P634-D656 WeakPolarHBondContact CB-OD2 3.03Å; P634-D656 VanDerWaalsContact CG-OD2 3.29Å; P634-D656 WeakPolarHBondContact CG-OD2 3.07Å |
| 635 | R | 84 | Confident | 84.1 | Confident | 89 Ų | 89 | 43.7 Ų | 43.7 | 34% | 0.336 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -74.3 | -43.2 | 179.7 | -78.2 | -173.9 | 173.2 | -161.3 | -6.9 | 111.9 | Y72 E73 Q631 Q632 Y633 L637 Q638 R639 | Y72-R635 VanDerWaalsContact CZ-NH1 3.25Å; Y72-R635 PolarHBondContact OH-NH1 2.88Å; E73-R635 IonicContact OE1-CZ 3.79Å; E73-R635 IonicContact OE1-NH1 3.05Å; E73-R635 PolarHBondContact OE1-NH1 3.19Å; E73-R635 IonicContact OE1-NH2 2.57Å; E73-R635 PolarHBondContact OE1-NH2 3.5Å; Q631-R635 HydrophobicContact CG-CB 4.13Å; Q631-R635 VanDerWaalsContact NE2-CB 3.26Å; Q632-R635 PolarHBondContact O-N 3.28Å; Q632-R635 VanDerWaalsContact O-N 3.17Å; Y633-R635 VanDerWaalsContact C-N 3.28Å; Y633-R635 PolarHBondContact O-N 3.13Å; R635-L637 VanDerWaalsContact C-N 3.29Å; R635-L637 PolarHBondContact O-N 3.35Å; R635-Q638 PolarHBondContact O-N 2.73Å; R635-R639 WeakPolarHBondContact O-CB 3.27Å; R635-R639 PolarHBondContact O-N 3.4Å; R635-R639 VanDerWaalsContact O-N 3.09Å |
| 636 | F | 87.6 | Confident | 84.8 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.3 | -46.6 | 175.6 | -170.1 | -85.8 | 0 | 0 | 0 | 110 | Q631 Q632 Y633 R639 Y640 V660 I663 I664 L680 L688 L691 | Q631-F636 HydrophobicContact CB-CB 4.38Å; Q631-F636 HydrophobicContact CB-CD2 4.29Å; Q631-F636 HydrophobicContact CG-CB 3.99Å; Q631-F636 HydrophobicContact CG-CD2 4.46Å; Q632-F636 PolarHBondContact O-N 2.81Å; Q632-F636 VanDerWaalsContact O-N 3.1Å; Y633-F636 PolarHBondContact O-N 3.41Å; F636-R639 PolarHBondContact O-N 2.98Å; F636-Y640 AromaticContact CD1-CD2 3.8Å; F636-Y640 HydrophobicContact CD1-CD2 3.8Å; F636-Y640 AromaticContact CD2-CD2 3.72Å; F636-Y640 HydrophobicContact CD2-CD2 3.72Å; F636-Y640 AromaticContact CD2-CE2 3.65Å; F636-Y640 HydrophobicContact CD2-CE2 3.65Å; F636-Y640 AromaticContact CE1-CD2 3.69Å; F636-Y640 HydrophobicContact CE1-CD2 3.69Å; F636-Y640 HydrophobicContact CE1-CE2 4.42Å; F636-Y640 HydrophobicContact CE1-CG 4.41Å; F636-Y640 AromaticContact CE2-CD2 3.6Å; F636-Y640 HydrophobicContact CE2-CD2 3.6Å; F636-Y640 AromaticContact CE2-CE2 3.47Å; F636-Y640 HydrophobicContact CE2-CE2 3.47Å; F636-Y640 VanDerWaalsContact CE2-CE2 3.47Å; F636-Y640 AromaticContact CG-CD2 3.83Å; F636-Y640 HydrophobicContact CG-CD2 3.83Å; F636-Y640 HydrophobicContact CG-CE2 4.21Å; F636-Y640 AromaticContact CZ-CD2 3.59Å; F636-Y640 HydrophobicContact CZ-CD2 3.59Å; F636-Y640 AromaticContact CZ-CE2 3.9Å; F636-Y640 HydrophobicContact CZ-CE2 3.9Å; F636-Y640 HydrophobicContact CZ-CG 4.45Å; F636-Y640 VanDerWaalsContact O-CD2 3.26Å; F636-Y640 WeakPolarHBondContact O-CD2 3.4Å; F636-Y640 PolarHBondContact O-N 3.45Å; F636-V660 HydrophobicContact CB-CG2 4.3Å; F636-V660 HydrophobicContact CD1-CB 4.29Å; F636-V660 HydrophobicContact CD1-CG1 3.59Å; F636-V660 HydrophobicContact CD1-CG2 3.82Å; F636-V660 HydrophobicContact CE1-CG1 3.86Å; F636-V660 HydrophobicContact CG-CG1 4.33Å; F636-V660 HydrophobicContact CG-CG2 4.47Å; F636-I663 HydrophobicContact CE1-CG2 4.26Å; F636-I664 HydrophobicContact CE1-CD1 4.2Å; F636-I664 HydrophobicContact CZ-CD1 3.91Å; F636-L680 HydrophobicContact CD1-CD2 4.24Å; F636-L680 HydrophobicContact CD2-CD2 3.87Å; F636-L680 HydrophobicContact CE1-CD2 3.97Å; F636-L680 HydrophobicContact CE2-CD2 3.59Å; F636-L680 HydrophobicContact CG-CD2 4.18Å; F636-L680 HydrophobicContact CZ-CD2 3.63Å; F636-L688 HydrophobicContact CE2-CD2 4.22Å; F636-L691 HydrophobicContact CE1-CD1 4.47Å; F636-L691 HydrophobicContact CE2-CD1 4.41Å; F636-L691 HydrophobicContact CZ-CD1 3.64Å |
| 637 | L | 89.8 | Confident | 85.3 | Confident | 13 Ų | 13 | 49 Ų | 49 | 7% | 0.068 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.9 | -52.1 | 176.3 | -178.9 | 68.9 | 0 | 0 | 0 | 112.2 | Y633 R635 R639 Y640 K641 T647 H651 D656 A659 V660 I663 | Y633-L637 VanDerWaalsContact O-CB 3.27Å; Y633-L637 WeakPolarHBondContact O-CB 3.4Å; Y633-L637 PolarHBondContact O-N 3.32Å; R635-L637 VanDerWaalsContact C-N 3.29Å; R635-L637 PolarHBondContact O-N 3.35Å; L637-R639 PolarHBondContact O-N 3.13Å; L637-R639 VanDerWaalsContact O-N 3.07Å; L637-Y640 PolarHBondContact O-N 2.98Å; L637-K641 HydrophobicContact CD1-CB 4.12Å; L637-K641 HydrophobicContact CG-CB 4.5Å; L637-K641 WeakPolarHBondContact O-CA 3.28Å; L637-K641 WeakPolarHBondContact O-CB 3.29Å; L637-K641 VanDerWaalsContact O-CG 3.3Å; L637-K641 WeakPolarHBondContact O-CG 3.27Å; L637-K641 PolarHBondContact O-N 2.93Å; L637-T647 HydrophobicContact CD1-CG2 4.06Å; L637-H651 WeakPolarHBondContact CD2-CD2 3.29Å; L637-H651 VanDerWaalsContact CD2-NE2 3.26Å; L637-H651 WeakPolarHBondContact CD2-NE2 3.44Å; L637-D656 HydrophobicContact CD2-CB 4.44Å; L637-A659 HydrophobicContact CD1-CB 3.62Å; L637-A659 HydrophobicContact CD2-CB 4.19Å; L637-V660 HydrophobicContact CB-CG2 4.05Å; L637-I663 HydrophobicContact CD1-CD1 3.98Å |
| 638 | Q | 87.2 | Confident | 85.5 | Confident | 140 Ų | 140 | 53 Ų | 53 | 65% | 0.654 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -55.3 | -33.2 | 179.1 | -173.4 | -180 | 13.2 | 0 | 0 | 112.1 | P634 R635 | P634-Q638 VanDerWaalsContact O-CB 3.31Å; P634-Q638 WeakPolarHBondContact O-CB 3.02Å; P634-Q638 PolarHBondContact O-N 2.87Å; R635-Q638 PolarHBondContact O-N 2.73Å |
| 639 | R | 85.4 | Confident | 85.9 | Confident | 60 Ų | 60 | 55.8 Ų | 55.8 | 23% | 0.226 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -78.9 | -47.9 | -179.2 | -169.1 | 167.5 | -176.5 | 84.7 | 4.3 | 112.9 | R635 F636 L637 E692 R695 | R635-R639 WeakPolarHBondContact O-CB 3.27Å; R635-R639 PolarHBondContact O-N 3.4Å; R635-R639 VanDerWaalsContact O-N 3.09Å; F636-R639 PolarHBondContact O-N 2.98Å; L637-R639 PolarHBondContact O-N 3.13Å; L637-R639 VanDerWaalsContact O-N 3.07Å; R639-E692 IonicContact CZ-OE1 2.77Å; R639-E692 IonicContact NE-OE1 3.27Å; R639-E692 PolarHBondContact NE-OE1 2.91Å; R639-E692 IonicContact NE-OE2 3.22Å; R639-E692 IonicContact NH2-OE1 3.49Å; R639-E692 PolarHBondContact NH2-OE1 2.92Å; R639-E692 IonicContact NH2-OE2 3.45Å; R639-E692 PolarHBondContact NH2-OE2 2.82Å; R639-R695 PolarHBondContact O-NH1 3.23Å |
| 640 | Y | 88.5 | Confident | 86.2 | Confident | 1 Ų | 1 | 60.4 Ų | 60.4 | 0% | 0.004 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -105.2 | -2.4 | -169.4 | -58.1 | -65.8 | 0 | 0 | 0 | 114.5 | M1 F636 L637 M642 T643 L691 E692 | M1-Y640 WeakPolarHBondContact CE-OH 3.47Å; F636-Y640 AromaticContact CD1-CD2 3.8Å; F636-Y640 HydrophobicContact CD1-CD2 3.8Å; F636-Y640 AromaticContact CD2-CD2 3.72Å; F636-Y640 HydrophobicContact CD2-CD2 3.72Å; F636-Y640 AromaticContact CD2-CE2 3.65Å; F636-Y640 HydrophobicContact CD2-CE2 3.65Å; F636-Y640 AromaticContact CE1-CD2 3.69Å; F636-Y640 HydrophobicContact CE1-CD2 3.69Å; F636-Y640 HydrophobicContact CE1-CE2 4.42Å; F636-Y640 HydrophobicContact CE1-CG 4.41Å; F636-Y640 AromaticContact CE2-CD2 3.6Å; F636-Y640 HydrophobicContact CE2-CD2 3.6Å; F636-Y640 AromaticContact CE2-CE2 3.47Å; F636-Y640 HydrophobicContact CE2-CE2 3.47Å; F636-Y640 VanDerWaalsContact CE2-CE2 3.47Å; F636-Y640 AromaticContact CG-CD2 3.83Å; F636-Y640 HydrophobicContact CG-CD2 3.83Å; F636-Y640 HydrophobicContact CG-CE2 4.21Å; F636-Y640 AromaticContact CZ-CD2 3.59Å; F636-Y640 HydrophobicContact CZ-CD2 3.59Å; F636-Y640 AromaticContact CZ-CE2 3.9Å; F636-Y640 HydrophobicContact CZ-CE2 3.9Å; F636-Y640 HydrophobicContact CZ-CG 4.45Å; F636-Y640 VanDerWaalsContact O-CD2 3.26Å; F636-Y640 WeakPolarHBondContact O-CD2 3.4Å; F636-Y640 PolarHBondContact O-N 3.45Å; L637-Y640 PolarHBondContact O-N 2.98Å; Y640-M642 PolarHBondContact O-N 3.32Å; Y640-T643 PolarHBondContact O-N 3.41Å; Y640-T643 PolarHBondContact O-OG1 3.29Å; Y640-L691 HydrophobicContact CD1-CB 3.86Å; Y640-L691 HydrophobicContact CE1-CB 3.83Å; Y640-E692 HydrophobicContact CE1-CG 3.97Å; Y640-E692 PolarHBondContact OH-OE1 3.34Å; Y640-E692 VanDerWaalsContact OH-OE1 3.05Å |
| 641 | K | 90.1 | Very high | 86.3 | Confident | 52 Ų | 52 | 59.6 Ų | 59.6 | 23% | 0.226 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -18.3 | -179.1 | 63.6 | 174.1 | -172.7 | 174.1 | 0 | 115.7 | L637 T647 W648 P649 | L637-K641 HydrophobicContact CD1-CB 4.12Å; L637-K641 HydrophobicContact CG-CB 4.5Å; L637-K641 WeakPolarHBondContact O-CA 3.28Å; L637-K641 WeakPolarHBondContact O-CB 3.29Å; L637-K641 VanDerWaalsContact O-CG 3.3Å; L637-K641 WeakPolarHBondContact O-CG 3.27Å; L637-K641 PolarHBondContact O-N 2.93Å; K641-T647 VanDerWaalsContact CA-OG1 3.24Å; K641-T647 WeakPolarHBondContact CA-OG1 3.25Å; K641-T647 PolarHBondContact O-OG1 3.36Å; K641-W648 HydrophobicContact CG-CE3 4.15Å; K641-W648 HydrophobicContact CG-CZ3 4.42Å; K641-W648 WeakPolarHBondContact O-CB 3.25Å; K641-W648 PolarHBondContact O-N 2.68Å; K641-P649 WeakPolarHBondContact CD-O 3.29Å; K641-P649 WeakPolarHBondContact CE-O 3.43Å; K641-P649 PolarHBondContact NZ-O 2.84Å |
| 642 | M | 88.1 | Confident | 86.4 | Confident | 35 Ų | 35 | 67.9 Ų | 67.9 | 17% | 0.172 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -19.1 | 177.6 | 69.8 | -171 | 74.7 | 0 | 0 | 113.7 | Y640 C644 W648 R695 L698 V699 L702 | Y640-M642 PolarHBondContact O-N 3.32Å; M642-C644 VanDerWaalsContact C-N 3.3Å; M642-W648 VanDerWaalsContact CA-CE3 3.46Å; M642-W648 HydrophobicContact CB-CD2 4.22Å; M642-W648 HydrophobicContact CB-CE3 3.5Å; M642-W648 VanDerWaalsContact CB-CE3 3.5Å; M642-W648 HydrophobicContact CB-CH2 4.32Å; M642-W648 HydrophobicContact CB-CZ3 3.56Å; M642-R695 HydrophobicContact CE-CG 4.39Å; M642-R695 HydrophobicContact CG-CG 4.27Å; M642-R695 HydrophobicContact SD-CG 3.76Å; M642-L698 HydrophobicContact CG-CD1 4.39Å; M642-L698 VanDerWaalsContact O-CD1 3.3Å; M642-L698 WeakPolarHBondContact O-CD1 3.47Å; M642-V699 HydrophobicContact SD-CG2 3.99Å; M642-L702 HydrophobicContact CB-CD1 4.45Å; M642-L702 HydrophobicContact SD-CD1 4.21Å |
| 643 | T | 89 | Confident | 86.4 | Confident | 10 Ų | 10 | 66.4 Ų | 66.4 | 6% | 0.061 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -14.6 | 178.8 | 69.4 | 0 | 0 | 0 | 0 | 112 | Y640 Q666 H667 E694 R695 L698 | Y640-T643 PolarHBondContact O-N 3.41Å; Y640-T643 PolarHBondContact O-OG1 3.29Å; T643-Q666 PolarHBondContact O-NE2 3.41Å; T643-H667 WeakPolarHBondContact CB-NE2 3.32Å; T643-H667 PolarHBondContact OG1-CE1 3.48Å; T643-H667 PolarHBondContact OG1-NE2 2.79Å; T643-E694 HydrophobicContact CG2-CB 4.15Å; T643-R695 HydrophobicContact CG2-CB 4.06Å; T643-L698 HydrophobicContact CG2-CD1 4.33Å |
| 644 | C | 88.3 | Confident | 86.2 | Confident | 1 Ų | 1 | 70.2 Ų | 70.2 | 1% | 0.007 | 35% | 0.349 | C | S | . | . | trans | -118.4 | 127.6 | -178.8 | 174.8 | 0 | 0 | 0 | 0 | 112.6 | M642 Y646 T647 W648 I663 Q666 | M642-C644 VanDerWaalsContact C-N 3.3Å; C644-Y646 PolarHBondContact O-N 2.8Å; C644-T647 HydrophobicContact CB-CG2 4.42Å; C644-T647 WeakPolarHBondContact CB-OG1 3.24Å; C644-T647 PolarHBondContact O-N 2.96Å; C644-T647 PolarHBondContact O-OG1 3.26Å; C644-W648 PolarHBondContact O-N 3.25Å; C644-I663 HydrophobicContact CB-CB 4.36Å; C644-I663 HydrophobicContact CB-CG1 3.65Å; C644-Q666 VanDerWaalsContact CA-OE1 3.26Å; C644-Q666 PolarHBondContact SG-OE1 3.3Å | ||
| 645 | E | 85.1 | Confident | 86.3 | Confident | 165 Ų | 165 | 70.2 Ų | 70.2 | 77% | 0.771 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -31.8 | -178.1 | -61.9 | -172.8 | 167.6 | 0 | 0 | 112.6 | T647 | E645-T647 VanDerWaalsContact C-N 3.33Å; E645-T647 PolarHBondContact O-N 2.71Å |
| 646 | Y | 85.9 | Confident | 86.5 | Confident | 161 Ų | 161 | 68.7 Ų | 68.7 | 63% | 0.631 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -14.9 | -178.4 | -56.7 | -74.4 | 0 | 0 | 0 | 114.1 | C644 | C644-Y646 PolarHBondContact O-N 2.8Š|
| 647 | T | 87.5 | Confident | 86.7 | Confident | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | -15.9 | -178.1 | 62.4 | 0 | 0 | 0 | 0 | 113.4 | L637 K641 C644 E645 P649 N650 H651 A659 I663 | L637-T647 HydrophobicContact CD1-CG2 4.06Å; K641-T647 VanDerWaalsContact CA-OG1 3.24Å; K641-T647 WeakPolarHBondContact CA-OG1 3.25Å; K641-T647 PolarHBondContact O-OG1 3.36Å; C644-T647 HydrophobicContact CB-CG2 4.42Å; C644-T647 WeakPolarHBondContact CB-OG1 3.24Å; C644-T647 PolarHBondContact O-N 2.96Å; C644-T647 PolarHBondContact O-OG1 3.26Å; E645-T647 VanDerWaalsContact C-N 3.33Å; E645-T647 PolarHBondContact O-N 2.71Å; T647-P649 CarbonylContact O-C 3.5Å; T647-N650 CarbonylContact O-C 3.48Å; T647-N650 PolarHBondContact O-N 2.89Å; T647-H651 HydrophobicContact CG2-CB 4.49Å; T647-A659 HydrophobicContact CG2-CB 4.05Å; T647-A659 WeakPolarHBondContact CG2-O 3.45Å; T647-I663 HydrophobicContact CG2-CD1 4.22Å; T647-I663 HydrophobicContact CG2-CG1 3.93Å |
| 648 | W | 83.1 | Confident | 86.8 | Confident | 108 Ų | 108 | 77.1 Ų | 77.1 | 41% | 0.409 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -89.8 | 139 | 178.4 | -173.6 | -103.9 | 0 | 0 | 0 | 112.7 | K641 M642 C644 L702 | K641-W648 HydrophobicContact CG-CE3 4.15Å; K641-W648 HydrophobicContact CG-CZ3 4.42Å; K641-W648 WeakPolarHBondContact O-CB 3.25Å; K641-W648 PolarHBondContact O-N 2.68Å; M642-W648 VanDerWaalsContact CA-CE3 3.46Å; M642-W648 HydrophobicContact CB-CD2 4.22Å; M642-W648 HydrophobicContact CB-CE3 3.5Å; M642-W648 VanDerWaalsContact CB-CE3 3.5Å; M642-W648 HydrophobicContact CB-CH2 4.32Å; M642-W648 HydrophobicContact CB-CZ3 3.56Å; C644-W648 PolarHBondContact O-N 3.25Å; W648-L702 HydrophobicContact CH2-CD1 3.82Å; W648-L702 HydrophobicContact CZ2-CD1 3.86Å; W648-L702 HydrophobicContact CZ2-CD2 3.94Å |
| 649 | P | 78.3 | Confident | 86.9 | Confident | 74 Ų | 74 | 70.5 Ų | 70.5 | 48% | 0.481 | 35% | 0.35 | S | S | . | . | S | Bend | cis | -79.7 | -20.3 | -14.2 | 29.9 | -31.9 | 0 | 0 | 0 | 113.2 | K641 T647 | K641-P649 WeakPolarHBondContact CD-O 3.29Å; K641-P649 WeakPolarHBondContact CE-O 3.43Å; K641-P649 PolarHBondContact NZ-O 2.84Å; T647-P649 CarbonylContact O-C 3.5Å |
| 650 | N | 82.9 | Confident | 87.3 | Confident | 125 Ų | 125 | 67.6 Ų | 67.6 | 67% | 0.668 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -137 | 141.9 | 172.3 | -61.8 | -39.9 | 0 | 0 | 0 | 107.8 | T647 | T647-N650 CarbonylContact O-C 3.48Å; T647-N650 PolarHBondContact O-N 2.89Å |
| 651 | H | 84.4 | Confident | 87.4 | Confident | 44 Ų | 44 | 71.3 Ų | 71.3 | 20% | 0.204 | 36% | 0.356 | C | S | . | . | trans | -83.1 | 154.2 | 175.2 | 64.6 | 95.6 | 0 | 0 | 0 | 111.5 | L637 T647 M653 D656 A659 | L637-H651 WeakPolarHBondContact CD2-CD2 3.29Å; L637-H651 VanDerWaalsContact CD2-NE2 3.26Å; L637-H651 WeakPolarHBondContact CD2-NE2 3.44Å; T647-H651 HydrophobicContact CG2-CB 4.49Å; H651-M653 PolarHBondContact ND1-O 3.23Å; H651-D656 IonicContact CE1-OD1 2.79Å; H651-D656 IonicContact NE2-OD1 2.71Å; H651-A659 HydrophobicContact CB-CB 4.04Å | ||
| 652 | L | 85.4 | Confident | 87.5 | Confident | 182 Ų | 182 | 69.8 Ų | 69.8 | 95% | 0.953 | 35% | 0.353 | S | S | * | . | trans | -104.4 | 5.9 | 173.5 | -62.8 | 173.5 | 0 | 0 | 0 | 112.7 | ||||
| 653 | M | 86.9 | Confident | 87.7 | Confident | 59 Ų | 59 | 68.1 Ų | 68.1 | 29% | 0.291 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -71.5 | 158.5 | -178.9 | -61 | 176.2 | -171.6 | 0 | 0 | 111.7 | H651 T655 E658 A659 A662 | H651-M653 PolarHBondContact ND1-O 3.23Å; M653-T655 VanDerWaalsContact C-N 3.34Å; M653-T655 PolarHBondContact O-N 3Å; M653-E658 HydrophobicContact CB-CB 4.07Å; M653-E658 VanDerWaalsContact SD-C 3.58Å; M653-E658 HydrophobicContact SD-CB 4.13Å; M653-A659 WeakPolarHBondContact SD-CA 3.38Å; M653-A659 HydrophobicContact SD-CB 4.1Å; M653-A662 HydrophobicContact CE-CB 3.63Å; M653-A662 HydrophobicContact SD-CB 4.12Å |
| 654 | A | 85.4 | Confident | 87.9 | Confident | 89 Ų | 89 | 67.6 Ų | 67.6 | 74% | 0.736 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -71.6 | -30.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E658 | A654-E658 PolarHBondContact N-OE2 3.1Š|
| 655 | T | 89.3 | Confident | 88 | Confident | 66 Ų | 66 | 70.4 Ų | 70.4 | 41% | 0.405 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -137.4 | 154.3 | 179.4 | 66.9 | 0 | 0 | 0 | 0 | 112.7 | M653 R657 E658 A659 | M653-T655 VanDerWaalsContact C-N 3.34Å; M653-T655 PolarHBondContact O-N 3Å; T655-R657 PolarHBondContact O-N 3.11Å; T655-E658 PolarHBondContact O-N 2.79Å; T655-E658 WeakPolarHBondContact OG1-CG 3.47Å; T655-E658 PolarHBondContact OG1-N 3.43Å; T655-A659 PolarHBondContact O-N 3.49Å |
| 656 | D | 89.1 | Confident | 88.2 | Confident | 57 Ų | 57 | 66.5 Ų | 66.5 | 31% | 0.305 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.3 | -28.5 | 173.2 | -70.8 | 13.3 | 0 | 0 | 0 | 112 | P634 L637 H651 A659 V660 | P634-D656 WeakPolarHBondContact CA-OD2 3.42Å; P634-D656 WeakPolarHBondContact CB-OD2 3.03Å; P634-D656 VanDerWaalsContact CG-OD2 3.29Å; P634-D656 WeakPolarHBondContact CG-OD2 3.07Å; L637-D656 HydrophobicContact CD2-CB 4.44Å; H651-D656 IonicContact CE1-OD1 2.79Å; H651-D656 IonicContact NE2-OD1 2.71Å; D656-A659 PolarHBondContact O-N 3.09Å; D656-V660 WeakPolarHBondContact O-CG2 3.3Å; D656-V660 PolarHBondContact O-N 2.92Å |
| 657 | R | 91.2 | Very high | 88.4 | Confident | 108 Ų | 108 | 60.3 Ų | 60.3 | 41% | 0.408 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.3 | -48.8 | 175.4 | 174.6 | 179.3 | 167.6 | 173.8 | -0.3 | 111.5 | Y633 T655 A659 V660 E661 | Y633-R657 HydrophobicContact CD1-CB 4.31Å; Y633-R657 HydrophobicContact CD2-CB 4.13Å; Y633-R657 HydrophobicContact CE1-CB 4.16Å; Y633-R657 HydrophobicContact CE1-CG 3.98Å; Y633-R657 HydrophobicContact CE2-CB 3.98Å; Y633-R657 HydrophobicContact CE2-CG 4.14Å; Y633-R657 HydrophobicContact CG-CB 4.29Å; T655-R657 PolarHBondContact O-N 3.11Å; R657-A659 VanDerWaalsContact C-N 3.28Å; R657-A659 PolarHBondContact O-N 3.26Å; R657-V660 PolarHBondContact O-N 2.87Å; R657-E661 WeakPolarHBondContact O-CB 3.43Å; R657-E661 PolarHBondContact O-N 3.07Å |
| 658 | E | 91 | Very high | 88.5 | Confident | 83 Ų | 83 | 63.1 Ų | 63.1 | 39% | 0.388 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.3 | -40.1 | 177.1 | -73 | 170.2 | -173.3 | 0 | 0 | 111.3 | M653 A654 T655 V660 E661 A662 | M653-E658 HydrophobicContact CB-CB 4.07Å; M653-E658 VanDerWaalsContact SD-C 3.58Å; M653-E658 HydrophobicContact SD-CB 4.13Å; A654-E658 PolarHBondContact N-OE2 3.1Å; T655-E658 PolarHBondContact O-N 2.79Å; T655-E658 WeakPolarHBondContact OG1-CG 3.47Å; T655-E658 PolarHBondContact OG1-N 3.43Å; E658-V660 VanDerWaalsContact C-N 3.35Å; E658-V660 PolarHBondContact O-N 2.82Å; E658-E661 PolarHBondContact O-N 2.92Å; E658-A662 PolarHBondContact O-N 3.26Å |
| 659 | A | 91.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.8 | -40.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L637 T647 H651 M653 T655 D656 R657 A662 I663 | L637-A659 HydrophobicContact CD1-CB 3.62Å; L637-A659 HydrophobicContact CD2-CB 4.19Å; T647-A659 HydrophobicContact CG2-CB 4.05Å; T647-A659 WeakPolarHBondContact CG2-O 3.45Å; H651-A659 HydrophobicContact CB-CB 4.04Å; M653-A659 WeakPolarHBondContact SD-CA 3.38Å; M653-A659 HydrophobicContact SD-CB 4.1Å; T655-A659 PolarHBondContact O-N 3.49Å; D656-A659 PolarHBondContact O-N 3.09Å; R657-A659 VanDerWaalsContact C-N 3.28Å; R657-A659 PolarHBondContact O-N 3.26Å; A659-A662 PolarHBondContact O-N 3.12Å; A659-I663 WeakPolarHBondContact O-CG1 3.32Å; A659-I663 PolarHBondContact O-N 2.83Å |
| 660 | V | 92.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.6 | -39.9 | 173.7 | 171 | 0 | 0 | 0 | 0 | 111.6 | Y633 F636 L637 D656 R657 E658 A662 I663 I664 L680 | Y633-V660 HydrophobicContact CD1-CB 3.9Å; Y633-V660 HydrophobicContact CD1-CG1 4.05Å; Y633-V660 HydrophobicContact CD1-CG2 3.94Å; Y633-V660 HydrophobicContact CE1-CB 4.46Å; Y633-V660 HydrophobicContact CE1-CG1 4.35Å; F636-V660 HydrophobicContact CB-CG2 4.3Å; F636-V660 HydrophobicContact CD1-CB 4.29Å; F636-V660 HydrophobicContact CD1-CG1 3.59Å; F636-V660 HydrophobicContact CD1-CG2 3.82Å; F636-V660 HydrophobicContact CE1-CG1 3.86Å; F636-V660 HydrophobicContact CG-CG1 4.33Å; F636-V660 HydrophobicContact CG-CG2 4.47Å; L637-V660 HydrophobicContact CB-CG2 4.05Å; D656-V660 WeakPolarHBondContact O-CG2 3.3Å; D656-V660 PolarHBondContact O-N 2.92Å; R657-V660 PolarHBondContact O-N 2.87Å; E658-V660 VanDerWaalsContact C-N 3.35Å; E658-V660 PolarHBondContact O-N 2.82Å; V660-A662 VanDerWaalsContact C-N 3.3Å; V660-A662 PolarHBondContact O-N 2.96Å; V660-I663 WeakPolarHBondContact O-CB 3.26Å; V660-I663 PolarHBondContact O-N 2.64Å; V660-I663 VanDerWaalsContact O-N 3.15Å; V660-I664 HydrophobicContact CG1-CG1 4.47Å; V660-I664 WeakPolarHBondContact O-CG1 3.49Å; V660-I664 PolarHBondContact O-N 3.29Å; V660-L680 HydrophobicContact CG1-CB 4.36Å; V660-L680 HydrophobicContact CG1-CD1 4.14Å; V660-L680 HydrophobicContact CG1-CD2 3.79Å; V660-L680 HydrophobicContact CG1-CG 4.32Å |
| 661 | E | 91.9 | Very high | 89.2 | Confident | 79 Ų | 79 | 59.1 Ų | 59.1 | 37% | 0.369 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.6 | -37 | 175.8 | -179.9 | 169.2 | -160.4 | 0 | 0 | 112.4 | R657 E658 I664 T665 Y675 | R657-E661 WeakPolarHBondContact O-CB 3.43Å; R657-E661 PolarHBondContact O-N 3.07Å; E658-E661 PolarHBondContact O-N 2.92Å; E661-I664 PolarHBondContact O-N 2.7Å; E661-T665 VanDerWaalsContact O-CB 3.24Å; E661-T665 WeakPolarHBondContact O-CB 3.45Å; E661-T665 PolarHBondContact O-N 2.88Å; E661-T665 PolarHBondContact O-OG1 3.1Å; E661-Y675 HydrophobicContact CB-CE1 3.9Å; E661-Y675 HydrophobicContact CG-CE1 4.33Å |
| 662 | A | 91.4 | Very high | 89.3 | Confident | 19 Ų | 19 | 58.2 Ų | 58.2 | 16% | 0.157 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.8 | -40.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | M653 E658 A659 V660 T665 Q666 | M653-A662 HydrophobicContact CE-CB 3.63Å; M653-A662 HydrophobicContact SD-CB 4.12Å; E658-A662 PolarHBondContact O-N 3.26Å; A659-A662 PolarHBondContact O-N 3.12Å; V660-A662 VanDerWaalsContact C-N 3.3Å; V660-A662 PolarHBondContact O-N 2.96Å; A662-T665 PolarHBondContact O-N 3.21Å; A662-Q666 WeakPolarHBondContact O-CB 3.43Å; A662-Q666 PolarHBondContact O-N 3.26Å |
| 663 | I | 92.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.7 | -53.8 | 173.5 | -64.9 | 166.8 | 0 | 0 | 0 | 109.4 | F636 L637 C644 T647 A659 V660 T665 Q666 H667 L691 | F636-I663 HydrophobicContact CE1-CG2 4.26Å; L637-I663 HydrophobicContact CD1-CD1 3.98Å; C644-I663 HydrophobicContact CB-CB 4.36Å; C644-I663 HydrophobicContact CB-CG1 3.65Å; T647-I663 HydrophobicContact CG2-CD1 4.22Å; T647-I663 HydrophobicContact CG2-CG1 3.93Å; A659-I663 WeakPolarHBondContact O-CG1 3.32Å; A659-I663 PolarHBondContact O-N 2.83Å; V660-I663 WeakPolarHBondContact O-CB 3.26Å; V660-I663 PolarHBondContact O-N 2.64Å; V660-I663 VanDerWaalsContact O-N 3.15Å; I663-T665 VanDerWaalsContact C-N 3.31Å; I663-T665 PolarHBondContact O-N 2.7Å; I663-Q666 PolarHBondContact O-N 3.15Å; I663-H667 PolarHBondContact O-N 3Å; I663-H667 PolarHBondContact O-ND1 2.94Å; I663-L691 HydrophobicContact CG2-CD2 4.01Å |
| 664 | I | 92.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61 | -41.3 | -177.9 | -62.4 | -55.3 | 0 | 0 | 0 | 111.5 | F636 V660 E661 H667 G668 F669 V673 L680 L691 | F636-I664 HydrophobicContact CE1-CD1 4.2Å; F636-I664 HydrophobicContact CZ-CD1 3.91Å; V660-I664 HydrophobicContact CG1-CG1 4.47Å; V660-I664 WeakPolarHBondContact O-CG1 3.49Å; V660-I664 PolarHBondContact O-N 3.29Å; E661-I664 PolarHBondContact O-N 2.7Å; I664-H667 PolarHBondContact O-N 3.22Å; I664-G668 PolarHBondContact O-N 2.94Å; I664-G668 VanDerWaalsContact O-N 3.08Å; I664-F669 VanDerWaalsContact CG2-C 3.46Å; I664-F669 HydrophobicContact CG2-CB 3.86Å; I664-F669 PolarHBondContact O-N 2.7Å; I664-F669 VanDerWaalsContact O-N 3.09Å; I664-V673 HydrophobicContact CB-CG2 4.5Å; I664-V673 HydrophobicContact CD1-CG1 4.17Å; I664-V673 HydrophobicContact CG1-CG1 4.43Å; I664-V673 HydrophobicContact CG1-CG2 4.42Å; I664-V673 HydrophobicContact CG2-CG1 4.15Å; I664-V673 HydrophobicContact CG2-CG2 3.53Å; I664-L680 HydrophobicContact CD1-CD2 4.1Å; I664-L680 HydrophobicContact CG1-CD2 4.27Å; I664-L691 HydrophobicContact CD1-CD1 4.37Å |
| 665 | T | 91.5 | Very high | 89.9 | Confident | 60 Ų | 60 | 46.6 Ų | 46.6 | 37% | 0.368 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.5 | -44.8 | 179.1 | -65.8 | 0 | 0 | 0 | 0 | 112.2 | E661 A662 I663 H667 G668 Q670 | E661-T665 VanDerWaalsContact O-CB 3.24Å; E661-T665 WeakPolarHBondContact O-CB 3.45Å; E661-T665 PolarHBondContact O-N 2.88Å; E661-T665 PolarHBondContact O-OG1 3.1Å; A662-T665 PolarHBondContact O-N 3.21Å; I663-T665 VanDerWaalsContact C-N 3.31Å; I663-T665 PolarHBondContact O-N 2.7Å; T665-H667 PolarHBondContact O-N 2.92Å; T665-G668 PolarHBondContact O-N 3.38Å; T665-G668 VanDerWaalsContact O-N 3.13Å; T665-Q670 PolarHBondContact OG1-NE2 2.95Å |
| 666 | Q | 89.7 | Confident | 89.9 | Confident | 83 Ų | 83 | 43.5 Ų | 43.5 | 39% | 0.388 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.1 | -33.4 | 179.2 | -170.1 | -172.4 | -62 | 0 | 0 | 112.4 | T643 C644 A662 I663 | T643-Q666 PolarHBondContact O-NE2 3.41Å; C644-Q666 VanDerWaalsContact CA-OE1 3.26Å; C644-Q666 PolarHBondContact SG-OE1 3.3Å; A662-Q666 WeakPolarHBondContact O-CB 3.43Å; A662-Q666 PolarHBondContact O-N 3.26Å; I663-Q666 PolarHBondContact O-N 3.15Å |
| 667 | H | 88.8 | Confident | 89.8 | Confident | 30 Ų | 30 | 47.6 Ų | 47.6 | 14% | 0.139 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 0.5 | -178.5 | -56.2 | 72 | 0 | 0 | 0 | 113 | T643 I663 I664 T665 F669 L691 E694 | T643-H667 WeakPolarHBondContact CB-NE2 3.32Å; T643-H667 PolarHBondContact OG1-CE1 3.48Å; T643-H667 PolarHBondContact OG1-NE2 2.79Å; I663-H667 PolarHBondContact O-N 3Å; I663-H667 PolarHBondContact O-ND1 2.94Å; I664-H667 PolarHBondContact O-N 3.22Å; T665-H667 PolarHBondContact O-N 2.92Å; H667-F669 HydrophobicContact CB-CD2 3.53Å; H667-F669 HydrophobicContact CB-CE2 3.55Å; H667-L691 HydrophobicContact CB-CD2 4.37Å; H667-L691 VanDerWaalsContact CD2-CD2 3.47Å; H667-L691 WeakPolarHBondContact CD2-CD2 3.4Å; H667-L691 WeakPolarHBondContact NE2-CD2 3.46Å; H667-E694 IonicContact CD2-OE1 3.31Å; H667-E694 IonicContact CD2-OE2 3.79Å; H667-E694 PolarHBondContact CD2-OE2 2.97Å; H667-E694 IonicContact NE2-OE2 2.74Å; H667-E694 PolarHBondContact NE2-OE2 2.98Å |
| 668 | G | 89 | Confident | 89.6 | Confident | 60 Ų | 60 | 45.8 Ų | 45.8 | 62% | 0.619 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | 22.1 | 175 | 0 | 0 | 0 | 0 | 0 | 115.9 | I664 T665 | I664-G668 PolarHBondContact O-N 2.94Å; I664-G668 VanDerWaalsContact O-N 3.08Å; T665-G668 PolarHBondContact O-N 3.38Å; T665-G668 VanDerWaalsContact O-N 3.13Å |
| 669 | F | 90.7 | Very high | 89.5 | Confident | 31 Ų | 31 | 43.9 Ų | 43.9 | 14% | 0.136 | 26% | 0.257 | C | S | . | . | trans | -96.9 | 19 | -175.1 | -62.9 | -58.5 | 0 | 0 | 0 | 114.9 | I664 H667 G671 D672 T687 T690 | I664-F669 VanDerWaalsContact CG2-C 3.46Å; I664-F669 HydrophobicContact CG2-CB 3.86Å; I664-F669 PolarHBondContact O-N 2.7Å; I664-F669 VanDerWaalsContact O-N 3.09Å; H667-F669 HydrophobicContact CB-CD2 3.53Å; H667-F669 HydrophobicContact CB-CE2 3.55Å; F669-G671 VanDerWaalsContact C-N 3.29Å; F669-G671 PolarHBondContact O-N 3.35Å; F669-D672 PolarHBondContact O-N 3.27Å; F669-T687 HydrophobicContact CB-CG2 3.78Å; F669-T687 HydrophobicContact CD1-CG2 4.18Å; F669-T687 VanDerWaalsContact CD1-OG1 3.3Å; F669-T687 WeakPolarHBondContact CD1-OG1 3.45Å; F669-T687 HydrophobicContact CD2-CG2 3.72Å; F669-T687 HydrophobicContact CE2-CG2 4.32Å; F669-T687 HydrophobicContact CG-CG2 3.64Å; F669-T690 HydrophobicContact CE2-CG2 4.23Å; F669-T690 HydrophobicContact CZ-CG2 3.9Å | ||
| 670 | Q | 86.6 | Confident | 89.4 | Confident | 113 Ų | 113 | 44 Ų | 44 | 53% | 0.528 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -58.7 | -35.9 | -173.8 | -65.1 | 169.7 | -21.8 | 0 | 0 | 113.8 | T665 D672 | T665-Q670 PolarHBondContact OG1-NE2 2.95Å; Q670-D672 VanDerWaalsContact C-N 3.3Å |
| 671 | G | 83.5 | Confident | 89.2 | Confident | 78 Ų | 78 | 44 Ų | 44 | 80% | 0.804 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -79.8 | -9.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | F669 | F669-G671 VanDerWaalsContact C-N 3.29Å; F669-G671 PolarHBondContact O-N 3.35Å |
| 672 | D | 85.7 | Confident | 88.9 | Confident | 26 Ų | 26 | 40.2 Ų | 40.2 | 14% | 0.139 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -107.6 | 3 | -175.6 | -162.3 | 54.2 | 0 | 0 | 0 | 113 | F669 Q670 R683 T684 T687 | F669-D672 PolarHBondContact O-N 3.27Å; Q670-D672 VanDerWaalsContact C-N 3.3Å; D672-R683 WeakPolarHBondContact O-CB 3.29Å; D672-R683 PolarHBondContact O-N 2.91Å; D672-R683 WeakPolarHBondContact OD1-CB 3.22Å; D672-T684 VanDerWaalsContact OD1-CG2 3.22Å; D672-T684 WeakPolarHBondContact OD1-CG2 3.28Å; D672-T684 PolarHBondContact OD1-N 2.99Å; D672-T684 PolarHBondContact OD1-OG1 3.38Å; D672-T684 WeakPolarHBondContact OD2-CB 3.35Å; D672-T684 PolarHBondContact OD2-N 2.93Å; D672-T684 PolarHBondContact OD2-OG1 3.19Å; D672-T687 PolarHBondContact OD2-OG1 3.43Å |
| 673 | V | 89.6 | Confident | 88.5 | Confident | 16 Ų | 16 | 43.5 Ų | 43.5 | 10% | 0.097 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 152.4 | 179.8 | -56.8 | 0 | 0 | 0 | 0 | 111.7 | I664 Y675 L680 F681 V682 T687 | I664-V673 HydrophobicContact CB-CG2 4.5Å; I664-V673 HydrophobicContact CD1-CG1 4.17Å; I664-V673 HydrophobicContact CG1-CG1 4.43Å; I664-V673 HydrophobicContact CG1-CG2 4.42Å; I664-V673 HydrophobicContact CG2-CG1 4.15Å; I664-V673 HydrophobicContact CG2-CG2 3.53Å; V673-Y675 HydrophobicContact CG2-CE2 3.87Å; V673-L680 HydrophobicContact CB-CD1 4.03Å; V673-L680 HydrophobicContact CG1-CD1 4.49Å; V673-L680 HydrophobicContact CG2-CD1 4.28Å; V673-F681 CarbonylContact C-O 3.58Å; V673-F681 WeakPolarHBondContact CA-O 3.43Å; V673-F681 WeakPolarHBondContact CB-O 3.24Å; V673-V682 HydrophobicContact CG1-CB 4.49Å; V673-V682 HydrophobicContact CG1-CG1 4.38Å; V673-V682 HydrophobicContact CG1-CG2 4.09Å; V673-T687 HydrophobicContact CG1-CG2 4.42Å |
| 674 | A | 89.7 | Confident | 87.8 | Confident | 20 Ų | 20 | 45.9 Ų | 45.9 | 17% | 0.165 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 143.7 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | I429 F627 F681 | I429-A674 HydrophobicContact CD1-CB 4.38Å; I429-A674 HydrophobicContact CG2-CB 4.32Å; F627-A674 HydrophobicContact CD1-CB 4.37Å; F627-A674 HydrophobicContact CE1-CB 3.4Å; F627-A674 VanDerWaalsContact CE1-CB 3.4Å; F627-A674 HydrophobicContact CE2-CB 4.04Å; F627-A674 HydrophobicContact CZ-CB 3.21Å; A674-F681 HydrophobicContact CB-CB 4.26Å; A674-F681 PolarHBondContact N-O 2.86Å; A674-F681 WeakPolarHBondContact O-CB 3.31Å; A674-F681 PolarHBondContact O-N 3.39Å |
| 675 | Y | 91 | Very high | 86.9 | Confident | 50 Ų | 50 | 46.3 Ų | 46.3 | 20% | 0.196 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 107.7 | -178.3 | -61.4 | -84.1 | 0 | 0 | 0 | 109.4 | Y633 E661 V673 L680 | Y633-Y675 HydrophobicContact CE1-CD1 4.23Å; Y633-Y675 WeakPolarHBondContact OH-CA 3.47Å; E661-Y675 HydrophobicContact CB-CE1 3.9Å; E661-Y675 HydrophobicContact CG-CE1 4.33Å; V673-Y675 HydrophobicContact CG2-CE2 3.87Å; Y675-L680 HydrophobicContact CD1-CD1 3.74Å; Y675-L680 HydrophobicContact CE1-CD1 3.62Å |
| 676 | G | 89.7 | Confident | 86.3 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | trans | -78 | -179.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112 | E427 Y633 K679 | E427-G676 CarbonylContact O-C 3.57Å; E427-G676 VanDerWaalsContact O-CA 3.27Å; E427-G676 WeakPolarHBondContact O-CA 3.34Å; Y633-G676 PolarHBondContact OH-N 3.45Å; Y633-G676 PolarHBondContact OH-O 3.31Å; G676-K679 WeakPolarHBondContact CA-O 3.42Å; G676-K679 PolarHBondContact N-O 3.49Å | ||
| 677 | Q | 87.2 | Confident | 85.9 | Confident | 142 Ų | 142 | 48.5 Ų | 48.5 | 66% | 0.664 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -66.1 | -40.4 | 173.9 | -64.6 | -165.9 | 19.8 | 0 | 0 | 112.2 | E427 | E427-Q677 PolarHBondContact O-N 3Å; E427-Q677 VanDerWaalsContact O-N 3.09Å; E427-Q677 PolarHBondContact OE2-N 2.84Å |
| 678 | T | 85.8 | Confident | 85.5 | Confident | 70 Ų | 70 | 47.7 Ų | 47.7 | 43% | 0.429 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -121.5 | -15.7 | -174.4 | 78.4 | 0 | 0 | 0 | 0 | 114.3 | E427 Y633 | E427-T678 PolarHBondContact OE1-OG1 3.23Å; E427-T678 PolarHBondContact OE2-N 2.9Å; Y633-T678 VanDerWaalsContact CD2-C 3.46Å; Y633-T678 VanDerWaalsContact CD2-O 3.24Å; Y633-T678 WeakPolarHBondContact CD2-O 3.27Å; Y633-T678 VanDerWaalsContact CE2-C 3.46Å; Y633-T678 PolarHBondContact N-O 3.31Å |
| 679 | K | 89.5 | Confident | 84.9 | Confident | 44 Ų | 44 | 49.6 Ų | 49.6 | 19% | 0.191 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 151.3 | -173.9 | -61.5 | 168.4 | -164.7 | 172.9 | 0 | 112.3 | E423 E427 Q631 Q632 Y633 G676 F681 | E423-K679 IonicContact OE1-NZ 3.56Å; E423-K679 PolarHBondContact OE1-NZ 2.85Å; E427-K679 PolarHBondContact OE2-N 3.02Å; Q631-K679 CarbonylContact O-C 3.54Å; Q631-K679 WeakPolarHBondContact O-CA 3.33Å; Q632-K679 HydrophobicContact CG-CG 3.98Å; Y633-K679 PolarHBondContact OH-O 3.35Å; G676-K679 WeakPolarHBondContact CA-O 3.42Å; G676-K679 PolarHBondContact N-O 3.49Å; K679-F681 HydrophobicContact CB-CD2 4.25Å; K679-F681 HydrophobicContact CB-CE2 3.77Å |
| 680 | L | 90.1 | Very high | 84.5 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 134.9 | 162.7 | -175.6 | 73.6 | 0 | 0 | 0 | 109.3 | R630 Q631 Y633 F636 V660 I664 V673 Y675 V682 | R630-L680 WeakPolarHBondContact CA-O 3.38Å; Q631-L680 PolarHBondContact N-O 3.39Å; Q631-L680 PolarHBondContact O-N 2.85Å; Y633-L680 HydrophobicContact CD1-CB 4.36Å; Y633-L680 HydrophobicContact CE1-CB 4.04Å; F636-L680 HydrophobicContact CD1-CD2 4.24Å; F636-L680 HydrophobicContact CD2-CD2 3.87Å; F636-L680 HydrophobicContact CE1-CD2 3.97Å; F636-L680 HydrophobicContact CE2-CD2 3.59Å; F636-L680 HydrophobicContact CG-CD2 4.18Å; F636-L680 HydrophobicContact CZ-CD2 3.63Å; V660-L680 HydrophobicContact CG1-CB 4.36Å; V660-L680 HydrophobicContact CG1-CD1 4.14Å; V660-L680 HydrophobicContact CG1-CD2 3.79Å; V660-L680 HydrophobicContact CG1-CG 4.32Å; I664-L680 HydrophobicContact CD1-CD2 4.1Å; I664-L680 HydrophobicContact CG1-CD2 4.27Å; V673-L680 HydrophobicContact CB-CD1 4.03Å; V673-L680 HydrophobicContact CG1-CD1 4.49Å; V673-L680 HydrophobicContact CG2-CD1 4.28Å; Y675-L680 HydrophobicContact CD1-CD1 3.74Å; Y675-L680 HydrophobicContact CE1-CD1 3.62Å; L680-V682 HydrophobicContact CD2-CG2 3.89Å; L680-V682 HydrophobicContact CG-CG2 4.17Å |
| 681 | F | 88.1 | Confident | 84.5 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 121.9 | 175.6 | -72.6 | -109.3 | 0 | 0 | 0 | 108.8 | E423 Y424 E427 I429 F627 Y629 R630 V673 A674 K679 | E423-F681 HydrophobicContact CG-CZ 4.39Å; Y424-F681 HydrophobicContact CD1-CD1 4.43Å; Y424-F681 AromaticContact CD1-CE1 3.9Å; Y424-F681 HydrophobicContact CD1-CE1 3.9Å; Y424-F681 AromaticContact CE1-CD1 3.99Å; Y424-F681 HydrophobicContact CE1-CD1 3.99Å; Y424-F681 AromaticContact CE1-CE1 3.72Å; Y424-F681 HydrophobicContact CE1-CE1 3.72Å; E427-F681 HydrophobicContact CB-CE2 3.9Å; E427-F681 HydrophobicContact CB-CZ 4.01Å; E427-F681 HydrophobicContact CG-CE2 3.87Å; E427-F681 HydrophobicContact CG-CZ 3.79Å; I429-F681 HydrophobicContact CD1-CB 4.11Å; I429-F681 HydrophobicContact CD1-CD1 3.79Å; I429-F681 HydrophobicContact CD1-CD2 3.17Å; I429-F681 HydrophobicContact CD1-CE1 3.94Å; I429-F681 HydrophobicContact CD1-CE2 3.35Å; I429-F681 HydrophobicContact CD1-CG 3.42Å; I429-F681 VanDerWaalsContact CD1-CG 3.42Å; I429-F681 HydrophobicContact CD1-CZ 3.76Å; F627-F681 HydrophobicContact CB-CB 3.86Å; F627-F681 HydrophobicContact CB-CD1 3.91Å; F627-F681 HydrophobicContact CB-CG 4.41Å; F627-F681 HydrophobicContact CD1-CB 3.64Å; F627-F681 HydrophobicContact CD2-CB 3.97Å; F627-F681 AromaticContact CD2-CD1 3.97Å; F627-F681 HydrophobicContact CD2-CD1 3.97Å; F627-F681 HydrophobicContact CD2-CG 4.37Å; F627-F681 HydrophobicContact CE1-CB 4.18Å; F627-F681 HydrophobicContact CE2-CB 4.5Å; F627-F681 HydrophobicContact CG-CB 3.54Å; F627-F681 HydrophobicContact CG-CD1 4.05Å; F627-F681 HydrophobicContact CG-CG 4.29Å; Y629-F681 CarbonylContact O-C 3.43Å; Y629-F681 WeakPolarHBondContact O-CA 3.41Å; R630-F681 HydrophobicContact CG-CD1 3.59Å; R630-F681 HydrophobicContact CG-CE1 3.71Å; R630-F681 HydrophobicContact CG-CG 4.24Å; R630-F681 HydrophobicContact CG-CZ 4.44Å; V673-F681 CarbonylContact C-O 3.58Å; V673-F681 WeakPolarHBondContact CA-O 3.43Å; V673-F681 WeakPolarHBondContact CB-O 3.24Å; A674-F681 HydrophobicContact CB-CB 4.26Å; A674-F681 PolarHBondContact N-O 2.86Å; A674-F681 WeakPolarHBondContact O-CB 3.31Å; A674-F681 PolarHBondContact O-N 3.39Å; K679-F681 HydrophobicContact CB-CD2 4.25Å; K679-F681 HydrophobicContact CB-CE2 3.77Å |
| 682 | V | 85.5 | Confident | 84.3 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 128.9 | -177.1 | -176.5 | 0 | 0 | 0 | 0 | 108.7 | F627 A628 Y629 V673 L680 T684 T687 L688 | F627-V682 CarbonylContact C-O 3.37Å; A628-V682 PolarHBondContact N-O 3.23Å; Y629-V682 HydrophobicContact CD1-CB 4.33Å; Y629-V682 HydrophobicContact CD1-CG2 4.09Å; Y629-V682 PolarHBondContact N-O 3.27Å; Y629-V682 PolarHBondContact O-N 2.83Å; V673-V682 HydrophobicContact CG1-CB 4.49Å; V673-V682 HydrophobicContact CG1-CG1 4.38Å; V673-V682 HydrophobicContact CG1-CG2 4.09Å; L680-V682 HydrophobicContact CD2-CG2 3.89Å; L680-V682 HydrophobicContact CG-CG2 4.17Å; V682-T684 WeakPolarHBondContact CG1-O 3.43Å; V682-T687 HydrophobicContact CG1-CG2 3.8Å; V682-L688 HydrophobicContact CG1-CG 4.37Å; V682-L688 HydrophobicContact CG2-CD2 4.4Å |
| 683 | R | 81.6 | Confident | 84.1 | Confident | 88 Ų | 88 | 46 Ų | 46 | 33% | 0.332 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -83.3 | -48.7 | -172.7 | -169.9 | 177.9 | -150.4 | 151.8 | 9.1 | 111.9 | F627 A628 D672 | F627-R683 HydrophobicContact CD1-CB 4.02Å; F627-R683 HydrophobicContact CE1-CB 4.28Å; A628-R683 WeakPolarHBondContact CB-O 3.3Å; D672-R683 WeakPolarHBondContact O-CB 3.29Å; D672-R683 PolarHBondContact O-N 2.91Å; D672-R683 WeakPolarHBondContact OD1-CB 3.22Å |
| 684 | T | 78.1 | Confident | 83.9 | Confident | 50 Ų | 50 | 48.8 Ų | 48.8 | 31% | 0.307 | 23% | 0.228 | S | C | . | . | trans | -107.8 | 142.4 | 178.2 | 72.3 | 0 | 0 | 0 | 0 | 113.4 | D672 V682 R686 T687 | D672-T684 VanDerWaalsContact OD1-CG2 3.22Å; D672-T684 WeakPolarHBondContact OD1-CG2 3.28Å; D672-T684 PolarHBondContact OD1-N 2.99Å; D672-T684 PolarHBondContact OD1-OG1 3.38Å; D672-T684 WeakPolarHBondContact OD2-CB 3.35Å; D672-T684 PolarHBondContact OD2-N 2.93Å; D672-T684 PolarHBondContact OD2-OG1 3.19Å; V682-T684 WeakPolarHBondContact CG1-O 3.43Å; T684-R686 PolarHBondContact O-N 3.44Å; T684-T687 PolarHBondContact O-N 3.09Å | ||
| 685 | P | 72.9 | Confident | 83.7 | Confident | 9 Ų | 9 | 50.6 Ų | 50.6 | 6% | 0.058 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.6 | -24.5 | 173.7 | -25.5 | 35.4 | 0 | 0 | 0 | 114.2 | V15 L16 A628 T687 L688 F689 | V15-P685 VanDerWaalsContact O-CG 3.25Å; V15-P685 WeakPolarHBondContact O-CG 3.38Å; L16-P685 HydrophobicContact CB-CB 4.41Å; L16-P685 HydrophobicContact CD2-CB 4.08Å; L16-P685 HydrophobicContact CD2-CG 4.35Å; A628-P685 HydrophobicContact CB-CG 4.48Å; P685-T687 VanDerWaalsContact C-N 3.26Å; P685-T687 PolarHBondContact O-N 2.87Å; P685-L688 PolarHBondContact O-N 3.06Å; P685-L688 VanDerWaalsContact O-N 3.11Å; P685-F689 PolarHBondContact O-N 3.1Å |
| 686 | R | 79.4 | Confident | 83.2 | Confident | 188 Ų | 188 | 51.2 Ų | 51.2 | 71% | 0.709 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -56.9 | -39.5 | -179.7 | -177.6 | -179.9 | 176 | -178.5 | -0.7 | 112.4 | T684 L688 F689 T690 | T684-R686 PolarHBondContact O-N 3.44Å; R686-L688 VanDerWaalsContact C-N 3.31Å; R686-L688 PolarHBondContact O-N 2.9Å; R686-F689 PolarHBondContact O-N 2.96Å; R686-T690 PolarHBondContact O-N 2.96Å; R686-T690 PolarHBondContact O-OG1 2.88Å |
| 687 | T | 82.4 | Confident | 83.1 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.2 | -44.4 | 177.3 | -67.1 | 0 | 0 | 0 | 0 | 111.2 | F669 D672 V673 V682 T684 P685 L691 | F669-T687 HydrophobicContact CB-CG2 3.78Å; F669-T687 HydrophobicContact CD1-CG2 4.18Å; F669-T687 VanDerWaalsContact CD1-OG1 3.3Å; F669-T687 WeakPolarHBondContact CD1-OG1 3.45Å; F669-T687 HydrophobicContact CD2-CG2 3.72Å; F669-T687 HydrophobicContact CE2-CG2 4.32Å; F669-T687 HydrophobicContact CG-CG2 3.64Å; D672-T687 PolarHBondContact OD2-OG1 3.43Å; V673-T687 HydrophobicContact CG1-CG2 4.42Å; V682-T687 HydrophobicContact CG1-CG2 3.8Å; T684-T687 PolarHBondContact O-N 3.09Å; P685-T687 VanDerWaalsContact C-N 3.26Å; P685-T687 PolarHBondContact O-N 2.87Å; T687-L691 HydrophobicContact CG2-CD1 4.41Å; T687-L691 WeakPolarHBondContact O-CG 3.36Å; T687-L691 PolarHBondContact O-N 3.45Å |
| 688 | L | 79.9 | Confident | 83.2 | Confident | 13 Ų | 13 | 51.1 Ų | 51.1 | 7% | 0.068 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -71.1 | -44 | 178.9 | -63.4 | 170.6 | 0 | 0 | 0 | 112.4 | L16 Y629 F636 V682 P685 R686 T690 L691 E692 | L16-L688 HydrophobicContact CD2-CD1 4.22Å; Y629-L688 HydrophobicContact CD1-CD1 3.49Å; Y629-L688 VanDerWaalsContact CD1-CD1 3.49Å; Y629-L688 HydrophobicContact CD1-CD2 3.67Å; Y629-L688 HydrophobicContact CD1-CG 4.12Å; Y629-L688 HydrophobicContact CD2-CD1 3.76Å; Y629-L688 HydrophobicContact CE1-CD1 4.09Å; Y629-L688 HydrophobicContact CE1-CD2 3.72Å; Y629-L688 HydrophobicContact CE2-CD1 4.35Å; Y629-L688 HydrophobicContact CG-CD1 3.29Å; Y629-L688 HydrophobicContact CG-CD2 4.37Å; Y629-L688 HydrophobicContact CG-CG 4.38Å; F636-L688 HydrophobicContact CE2-CD2 4.22Å; V682-L688 HydrophobicContact CG1-CG 4.37Å; V682-L688 HydrophobicContact CG2-CD2 4.4Å; P685-L688 PolarHBondContact O-N 3.06Å; P685-L688 VanDerWaalsContact O-N 3.11Å; R686-L688 VanDerWaalsContact C-N 3.31Å; R686-L688 PolarHBondContact O-N 2.9Å; L688-T690 VanDerWaalsContact C-N 3.26Å; L688-T690 PolarHBondContact O-N 3.04Å; L688-L691 PolarHBondContact O-N 3.15Å; L688-E692 WeakPolarHBondContact O-CG 3.37Å; L688-E692 PolarHBondContact O-N 3.07Å |
| 689 | F | 75.8 | Confident | 83.1 | Confident | 101 Ų | 101 | 50.5 Ų | 50.5 | 44% | 0.443 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58.3 | -42.2 | -179.6 | -174.3 | -93 | 0 | 0 | 0 | 111.4 | P685 R686 E692 Q693 | P685-F689 PolarHBondContact O-N 3.1Å; R686-F689 PolarHBondContact O-N 2.96Å; F689-E692 PolarHBondContact O-N 2.87Å; F689-Q693 WeakPolarHBondContact O-CB 3.48Å; F689-Q693 PolarHBondContact O-N 3.33Å |
| 690 | T | 83.3 | Confident | 83.1 | Confident | 37 Ų | 37 | 51.7 Ų | 51.7 | 23% | 0.227 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.7 | -48.5 | 178.2 | -49.9 | 0 | 0 | 0 | 0 | 111.4 | F669 R686 L688 E692 Q693 E694 | F669-T690 HydrophobicContact CE2-CG2 4.23Å; F669-T690 HydrophobicContact CZ-CG2 3.9Å; R686-T690 PolarHBondContact O-N 2.96Å; R686-T690 PolarHBondContact O-OG1 2.88Å; L688-T690 VanDerWaalsContact C-N 3.26Å; L688-T690 PolarHBondContact O-N 3.04Å; T690-E692 VanDerWaalsContact C-N 3.27Å; T690-E692 PolarHBondContact O-N 3.22Å; T690-Q693 PolarHBondContact O-N 2.98Å; T690-E694 PolarHBondContact O-N 2.63Å; T690-E694 VanDerWaalsContact O-N 3.09Å |
| 691 | L | 85.5 | Confident | 83.2 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.7 | -36.2 | 178.3 | -71.1 | 171.7 | 0 | 0 | 0 | 112.7 | F636 Y640 I663 I664 H667 T687 L688 R695 | F636-L691 HydrophobicContact CE1-CD1 4.47Å; F636-L691 HydrophobicContact CE2-CD1 4.41Å; F636-L691 HydrophobicContact CZ-CD1 3.64Å; Y640-L691 HydrophobicContact CD1-CB 3.86Å; Y640-L691 HydrophobicContact CE1-CB 3.83Å; I663-L691 HydrophobicContact CG2-CD2 4.01Å; I664-L691 HydrophobicContact CD1-CD1 4.37Å; H667-L691 HydrophobicContact CB-CD2 4.37Å; H667-L691 VanDerWaalsContact CD2-CD2 3.47Å; H667-L691 WeakPolarHBondContact CD2-CD2 3.4Å; H667-L691 WeakPolarHBondContact NE2-CD2 3.46Å; T687-L691 HydrophobicContact CG2-CD1 4.41Å; T687-L691 WeakPolarHBondContact O-CG 3.36Å; T687-L691 PolarHBondContact O-N 3.45Å; L688-L691 PolarHBondContact O-N 3.15Å; L691-R695 WeakPolarHBondContact O-CB 3.41Å; L691-R695 PolarHBondContact O-N 2.89Å; L691-R695 VanDerWaalsContact O-N 3.08Å |
| 692 | E | 80 | Confident | 83.1 | Confident | 19 Ų | 19 | 59.2 Ų | 59.2 | 9% | 0.089 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -72.6 | -41.5 | 176.7 | -74.5 | -66.2 | -173.2 | 0 | 0 | 113.1 | R639 Y640 L688 F689 T690 E694 R695 A696 | R639-E692 IonicContact CZ-OE1 2.77Å; R639-E692 IonicContact NE-OE1 3.27Å; R639-E692 PolarHBondContact NE-OE1 2.91Å; R639-E692 IonicContact NE-OE2 3.22Å; R639-E692 IonicContact NH2-OE1 3.49Å; R639-E692 PolarHBondContact NH2-OE1 2.92Å; R639-E692 IonicContact NH2-OE2 3.45Å; R639-E692 PolarHBondContact NH2-OE2 2.82Å; Y640-E692 HydrophobicContact CE1-CG 3.97Å; Y640-E692 PolarHBondContact OH-OE1 3.34Å; Y640-E692 VanDerWaalsContact OH-OE1 3.05Å; L688-E692 WeakPolarHBondContact O-CG 3.37Å; L688-E692 PolarHBondContact O-N 3.07Å; F689-E692 PolarHBondContact O-N 2.87Å; T690-E692 VanDerWaalsContact C-N 3.27Å; T690-E692 PolarHBondContact O-N 3.22Å; E692-E694 VanDerWaalsContact C-N 3.3Å; E692-E694 PolarHBondContact O-N 3.46Å; E692-R695 WeakPolarHBondContact O-CB 3.42Å; E692-R695 PolarHBondContact O-N 3.45Å; E692-R695 VanDerWaalsContact OE2-CD 3.31Å; E692-R695 WeakPolarHBondContact OE2-CD 3.38Å; E692-R695 IonicContact OE2-NE 3.71Å; E692-A696 WeakPolarHBondContact O-CB 3.3Å; E692-A696 PolarHBondContact O-N 3.47Å |
| 693 | Q | 80.5 | Confident | 83.3 | Confident | 117 Ų | 117 | 62.4 Ų | 62.4 | 55% | 0.547 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.2 | -45.4 | 176.9 | -172.2 | 175.4 | 2 | 0 | 0 | 110.6 | F689 T690 A696 T697 | F689-Q693 WeakPolarHBondContact O-CB 3.48Å; F689-Q693 PolarHBondContact O-N 3.33Å; T690-Q693 PolarHBondContact O-N 2.98Å; Q693-A696 PolarHBondContact O-N 3.17Å; Q693-T697 WeakPolarHBondContact O-CG2 3.09Å; Q693-T697 PolarHBondContact O-N 3.17Å; Q693-T697 VanDerWaalsContact O-N 3.08Å |
| 694 | E | 85.8 | Confident | 83.9 | Confident | 73 Ų | 73 | 63.4 Ų | 63.4 | 34% | 0.341 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.9 | -47.5 | 175.5 | -72.6 | -170.4 | -162.5 | 0 | 0 | 112.1 | T643 H667 T690 E692 A696 T697 L698 | T643-E694 HydrophobicContact CG2-CB 4.15Å; H667-E694 IonicContact CD2-OE1 3.31Å; H667-E694 IonicContact CD2-OE2 3.79Å; H667-E694 PolarHBondContact CD2-OE2 2.97Å; H667-E694 IonicContact NE2-OE2 2.74Å; H667-E694 PolarHBondContact NE2-OE2 2.98Å; T690-E694 PolarHBondContact O-N 2.63Å; T690-E694 VanDerWaalsContact O-N 3.09Å; E692-E694 VanDerWaalsContact C-N 3.3Å; E692-E694 PolarHBondContact O-N 3.46Å; E694-A696 VanDerWaalsContact C-N 3.3Å; E694-A696 PolarHBondContact O-N 3.34Å; E694-T697 PolarHBondContact O-N 2.89Å; E694-T697 VanDerWaalsContact O-N 3.1Å; E694-T697 PolarHBondContact O-OG1 3.41Å; E694-L698 WeakPolarHBondContact O-CG 3.31Å; E694-L698 PolarHBondContact O-N 3.27Å; E694-L698 VanDerWaalsContact O-N 3.09Å |
| 695 | R | 85.9 | Confident | 84.6 | Confident | 58 Ų | 58 | 67 Ų | 67 | 22% | 0.219 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -55.1 | -46 | 174.3 | 179.1 | -177.2 | 141.7 | 111.9 | 5.8 | 111.7 | R639 M642 T643 L691 E692 T697 L698 V699 | R639-R695 PolarHBondContact O-NH1 3.23Å; M642-R695 HydrophobicContact CE-CG 4.39Å; M642-R695 HydrophobicContact CG-CG 4.27Å; M642-R695 HydrophobicContact SD-CG 3.76Å; T643-R695 HydrophobicContact CG2-CB 4.06Å; L691-R695 WeakPolarHBondContact O-CB 3.41Å; L691-R695 PolarHBondContact O-N 2.89Å; L691-R695 VanDerWaalsContact O-N 3.08Å; E692-R695 WeakPolarHBondContact O-CB 3.42Å; E692-R695 PolarHBondContact O-N 3.45Å; E692-R695 VanDerWaalsContact OE2-CD 3.31Å; E692-R695 WeakPolarHBondContact OE2-CD 3.38Å; E692-R695 IonicContact OE2-NE 3.71Å; R695-T697 VanDerWaalsContact C-N 3.26Å; R695-T697 PolarHBondContact O-N 2.91Å; R695-L698 PolarHBondContact O-N 3.5Å; R695-L698 VanDerWaalsContact O-N 3.12Å; R695-V699 HydrophobicContact CG-CG2 4.4Å; R695-V699 WeakPolarHBondContact O-CG2 3.24Å; R695-V699 PolarHBondContact O-N 3.18Å |
| 696 | A | 79.3 | Confident | 85.5 | Confident | 63 Ų | 63 | 72.1 Ų | 72.1 | 52% | 0.521 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.9 | -35 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E692 Q693 E694 P700 | E692-A696 WeakPolarHBondContact O-CB 3.3Å; E692-A696 PolarHBondContact O-N 3.47Å; Q693-A696 PolarHBondContact O-N 3.17Å; E694-A696 VanDerWaalsContact C-N 3.3Å; E694-A696 PolarHBondContact O-N 3.34Å; A696-P700 WeakPolarHBondContact O-CD 3.26Å |
| 697 | T | 88.2 | Confident | 86.1 | Confident | 86 Ų | 86 | 66.8 Ų | 66.8 | 53% | 0.528 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -71.6 | -32 | 174.5 | 65 | 0 | 0 | 0 | 0 | 113.6 | Q693 E694 R695 | Q693-T697 WeakPolarHBondContact O-CG2 3.09Å; Q693-T697 PolarHBondContact O-N 3.17Å; Q693-T697 VanDerWaalsContact O-N 3.08Å; E694-T697 PolarHBondContact O-N 2.89Å; E694-T697 VanDerWaalsContact O-N 3.1Å; E694-T697 PolarHBondContact O-OG1 3.41Å; R695-T697 VanDerWaalsContact C-N 3.26Å; R695-T697 PolarHBondContact O-N 2.91Å |
| 698 | L | 88.6 | Confident | 86.8 | Confident | 55 Ų | 55 | 74.2 Ų | 74.2 | 29% | 0.288 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -80.1 | -33.5 | -178.1 | -69.7 | 172.7 | 0 | 0 | 0 | 113.5 | M642 T643 E694 R695 I701 L702 | M642-L698 HydrophobicContact CG-CD1 4.39Å; M642-L698 VanDerWaalsContact O-CD1 3.3Å; M642-L698 WeakPolarHBondContact O-CD1 3.47Å; T643-L698 HydrophobicContact CG2-CD1 4.33Å; E694-L698 WeakPolarHBondContact O-CG 3.31Å; E694-L698 PolarHBondContact O-N 3.27Å; E694-L698 VanDerWaalsContact O-N 3.09Å; R695-L698 PolarHBondContact O-N 3.5Å; R695-L698 VanDerWaalsContact O-N 3.12Å; L698-I701 WeakPolarHBondContact O-CB 3.39Å; L698-I701 PolarHBondContact O-N 3.47Å; L698-I701 VanDerWaalsContact O-N 3.11Å; L698-L702 PolarHBondContact O-N 3.19Å; L698-L702 VanDerWaalsContact O-N 3.1Å |
| 699 | V | 85.5 | Confident | 87.5 | Confident | 57 Ų | 57 | 77 Ų | 77 | 35% | 0.345 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -54.9 | -49.4 | -176.6 | 165.4 | 0 | 0 | 0 | 0 | 112.9 | M642 R695 I701 L702 V703 | M642-V699 HydrophobicContact SD-CG2 3.99Å; R695-V699 HydrophobicContact CG-CG2 4.4Å; R695-V699 WeakPolarHBondContact O-CG2 3.24Å; R695-V699 PolarHBondContact O-N 3.18Å; V699-I701 VanDerWaalsContact C-N 3.27Å; V699-I701 PolarHBondContact O-N 3.18Å; V699-L702 PolarHBondContact O-N 3.08Å; V699-V703 HydrophobicContact CG1-CG2 4.28Å; V699-V703 VanDerWaalsContact O-CG2 3.32Å; V699-V703 WeakPolarHBondContact O-CG2 3.27Å; V699-V703 PolarHBondContact O-N 3.47Å |
| 700 | P | 89.1 | Confident | 88.5 | Confident | 70 Ų | 70 | 80.2 Ų | 80.2 | 46% | 0.455 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -57.8 | -38.1 | 177.3 | -26.1 | 34.7 | 0 | 0 | 0 | 113.4 | A696 V703 L704 | A696-P700 WeakPolarHBondContact O-CD 3.26Å; P700-V703 PolarHBondContact O-N 2.99Å; P700-L704 WeakPolarHBondContact O-CB 3.29Å; P700-L704 VanDerWaalsContact O-CG 3.27Å; P700-L704 WeakPolarHBondContact O-CG 3.24Å; P700-L704 PolarHBondContact O-N 3.41Å |
| 701 | I | 91.1 | Very high | 89.1 | Confident | 108 Ų | 108 | 86.3 Ų | 86.3 | 55% | 0.554 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -64.8 | -46.7 | 180 | -57.2 | 175.1 | 0 | 0 | 0 | 110.1 | L698 V699 L704 F705 | L698-I701 WeakPolarHBondContact O-CB 3.39Å; L698-I701 PolarHBondContact O-N 3.47Å; L698-I701 VanDerWaalsContact O-N 3.11Å; V699-I701 VanDerWaalsContact C-N 3.27Å; V699-I701 PolarHBondContact O-N 3.18Å; I701-L704 PolarHBondContact O-N 2.88Å; I701-F705 PolarHBondContact O-N 2.69Å |
| 702 | L | 87.4 | Confident | 89.6 | Confident | 51 Ų | 51 | 87.2 Ų | 87.2 | 27% | 0.267 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.9 | -42.1 | 177.4 | -67.3 | 175.8 | 0 | 0 | 0 | 111.9 | M642 W648 L698 V699 F705 L706 | M642-L702 HydrophobicContact CB-CD1 4.45Å; M642-L702 HydrophobicContact SD-CD1 4.21Å; W648-L702 HydrophobicContact CH2-CD1 3.82Å; W648-L702 HydrophobicContact CZ2-CD1 3.86Å; W648-L702 HydrophobicContact CZ2-CD2 3.94Å; L698-L702 PolarHBondContact O-N 3.19Å; L698-L702 VanDerWaalsContact O-N 3.1Å; V699-L702 PolarHBondContact O-N 3.08Å; L702-F705 PolarHBondContact O-N 3.36Å; L702-L706 WeakPolarHBondContact O-CG 3.36Å; L702-L706 PolarHBondContact O-N 2.93Å |
| 703 | V | 89.8 | Confident | 90.3 | Very high | 67 Ų | 67 | 88.1 Ų | 88.1 | 41% | 0.406 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 176.4 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | V699 P700 F705 L706 Q707 | V699-V703 HydrophobicContact CG1-CG2 4.28Å; V699-V703 VanDerWaalsContact O-CG2 3.32Å; V699-V703 WeakPolarHBondContact O-CG2 3.27Å; V699-V703 PolarHBondContact O-N 3.47Å; P700-V703 PolarHBondContact O-N 2.99Å; V703-F705 VanDerWaalsContact C-N 3.33Å; V703-F705 PolarHBondContact O-N 3.09Å; V703-L706 PolarHBondContact O-N 3.39Å; V703-Q707 HydrophobicContact CG1-CG 4.36Å; V703-Q707 WeakPolarHBondContact O-CB 3.35Å; V703-Q707 VanDerWaalsContact O-CG 3.29Å; V703-Q707 WeakPolarHBondContact O-CG 3.47Å; V703-Q707 PolarHBondContact O-N 3.48Å |
| 704 | L | 93.4 | Very high | 91 | Very high | 109 Ų | 109 | 86.6 Ų | 86.6 | 57% | 0.571 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -62.5 | -39.9 | 176.7 | -74.7 | 172.8 | 0 | 0 | 0 | 112 | P700 I701 Q707 K708 | P700-L704 WeakPolarHBondContact O-CB 3.29Å; P700-L704 VanDerWaalsContact O-CG 3.27Å; P700-L704 WeakPolarHBondContact O-CG 3.24Å; P700-L704 PolarHBondContact O-N 3.41Å; I701-L704 PolarHBondContact O-N 2.88Å; L704-Q707 PolarHBondContact O-N 2.99Å; L704-K708 VanDerWaalsContact O-CB 3.29Å; L704-K708 WeakPolarHBondContact O-CB 3.44Å; L704-K708 PolarHBondContact O-N 3.33Å |
| 705 | F | 91.9 | Very high | 91.5 | Very high | 126 Ų | 126 | 85.9 Ų | 85.9 | 55% | 0.553 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -61.2 | -49.3 | 174.7 | 176.3 | -100.8 | 0 | 0 | 0 | 111.7 | I701 L702 V703 Q707 K708 V709 | I701-F705 PolarHBondContact O-N 2.69Å; L702-F705 PolarHBondContact O-N 3.36Å; V703-F705 VanDerWaalsContact C-N 3.33Å; V703-F705 PolarHBondContact O-N 3.09Å; F705-Q707 PolarHBondContact O-N 3.44Å; F705-K708 WeakPolarHBondContact O-CB 3.49Å; F705-K708 PolarHBondContact O-N 3.45Å; F705-V709 HydrophobicContact CD1-CG2 4.46Å; F705-V709 HydrophobicContact CD2-CG2 4.47Å; F705-V709 HydrophobicContact CE1-CG2 4.05Å; F705-V709 HydrophobicContact CE2-CG2 4.07Å; F705-V709 HydrophobicContact CZ-CG2 3.84Å; F705-V709 WeakPolarHBondContact O-CG2 3.4Å; F705-V709 PolarHBondContact O-N 3.31Å |
| 706 | L | 91.9 | Very high | 91.9 | Very high | 115 Ų | 115 | 90.2 Ų | 90.2 | 60% | 0.602 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -60.2 | -45.4 | 177.6 | -71.2 | 173.2 | 0 | 0 | 0 | 111.6 | L702 V703 K708 V709 W710 | L702-L706 WeakPolarHBondContact O-CG 3.36Å; L702-L706 PolarHBondContact O-N 2.93Å; V703-L706 PolarHBondContact O-N 3.39Å; L706-K708 PolarHBondContact O-N 2.97Å; L706-V709 PolarHBondContact O-N 3.25Å; L706-W710 WeakPolarHBondContact O-CB 3.49Å; L706-W710 PolarHBondContact O-N 2.94Å |
| 707 | Q | 93.2 | Very high | 92.6 | Very high | 76 Ų | 76 | 91.1 Ų | 91.1 | 36% | 0.355 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.9 | -42.7 | 176.2 | -73.4 | 179.9 | -1.4 | 0 | 0 | 111.9 | V703 L704 F705 W710 R711 | V703-Q707 HydrophobicContact CG1-CG 4.36Å; V703-Q707 WeakPolarHBondContact O-CB 3.35Å; V703-Q707 VanDerWaalsContact O-CG 3.29Å; V703-Q707 WeakPolarHBondContact O-CG 3.47Å; V703-Q707 PolarHBondContact O-N 3.48Å; L704-Q707 PolarHBondContact O-N 2.99Å; F705-Q707 PolarHBondContact O-N 3.44Å; Q707-W710 PolarHBondContact O-N 3.42Å; Q707-R711 VanDerWaalsContact O-CB 3.28Å; Q707-R711 WeakPolarHBondContact O-CB 3.48Å; Q707-R711 VanDerWaalsContact O-CG 3.22Å; Q707-R711 WeakPolarHBondContact O-CG 3.43Å; Q707-R711 PolarHBondContact O-N 2.89Å |
| 708 | K | 96.3 | Very high | 92.9 | Very high | 157 Ų | 157 | 95.9 Ų | 95.9 | 68% | 0.683 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -59.9 | -48.8 | 176.3 | 176.9 | -174 | 176.3 | -177.6 | 0 | 111.2 | L704 F705 L706 G712 | L704-K708 VanDerWaalsContact O-CB 3.29Å; L704-K708 WeakPolarHBondContact O-CB 3.44Å; L704-K708 PolarHBondContact O-N 3.33Å; F705-K708 WeakPolarHBondContact O-CB 3.49Å; F705-K708 PolarHBondContact O-N 3.45Å; L706-K708 PolarHBondContact O-N 2.97Å; K708-G712 PolarHBondContact O-N 3.06Å |
| 709 | V | 95.5 | Very high | 93.2 | Very high | 71 Ų | 71 | 96.1 Ų | 96.1 | 43% | 0.43 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.7 | -45.7 | 179.6 | 174.4 | 0 | 0 | 0 | 0 | 110.8 | F705 L706 G712 A713 | F705-V709 HydrophobicContact CD1-CG2 4.46Å; F705-V709 HydrophobicContact CD2-CG2 4.47Å; F705-V709 HydrophobicContact CE1-CG2 4.05Å; F705-V709 HydrophobicContact CE2-CG2 4.07Å; F705-V709 HydrophobicContact CZ-CG2 3.84Å; F705-V709 WeakPolarHBondContact O-CG2 3.4Å; F705-V709 PolarHBondContact O-N 3.31Å; L706-V709 PolarHBondContact O-N 3.25Å; V709-G712 PolarHBondContact O-N 3.31Å; V709-A713 PolarHBondContact O-N 2.75Å |
| 710 | W | 95.3 | Very high | 93.6 | Very high | 169 Ų | 169 | 102.2 Ų | 102.2 | 64% | 0.64 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.3 | -49.1 | 179.5 | -178 | -119.2 | 0 | 0 | 0 | 112.6 | L706 Q707 G712 A713 L714 | L706-W710 WeakPolarHBondContact O-CB 3.49Å; L706-W710 PolarHBondContact O-N 2.94Å; Q707-W710 PolarHBondContact O-N 3.42Å; W710-G712 VanDerWaalsContact C-N 3.26Å; W710-G712 PolarHBondContact O-N 3.25Å; W710-A713 WeakPolarHBondContact O-CB 3.44Å; W710-A713 PolarHBondContact O-N 3Å; W710-L714 HydrophobicContact CD2-CG 4.5Å; W710-L714 HydrophobicContact CH2-CD2 4.45Å; W710-L714 HydrophobicContact CZ2-CD2 3.97Å; W710-L714 HydrophobicContact CZ2-CG 4.41Å; W710-L714 WeakPolarHBondContact O-CG 3.43Å; W710-L714 PolarHBondContact O-N 3.38Å |
| 711 | R | 96.1 | Very high | 93.8 | Very high | 165 Ų | 165 | 106.8 Ų | 106.8 | 62% | 0.623 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -57.6 | -40.5 | 174.6 | -72.9 | 173.8 | -179.6 | 162.7 | 3.2 | 111.2 | Q707 L714 A715 | Q707-R711 VanDerWaalsContact O-CB 3.28Å; Q707-R711 WeakPolarHBondContact O-CB 3.48Å; Q707-R711 VanDerWaalsContact O-CG 3.22Å; Q707-R711 WeakPolarHBondContact O-CG 3.43Å; Q707-R711 PolarHBondContact O-N 2.89Å; R711-L714 PolarHBondContact O-N 3.29Å; R711-A715 WeakPolarHBondContact O-CB 3.5Å; R711-A715 PolarHBondContact O-N 3.25Å |
| 712 | G | 96.3 | Very high | 93.9 | Very high | 20 Ų | 20 | 105.5 Ų | 105.5 | 21% | 0.206 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -63.3 | -40.3 | 174 | 0 | 0 | 0 | 0 | 0 | 113.5 | K708 V709 W710 A715 R716 | K708-G712 PolarHBondContact O-N 3.06Å; V709-G712 PolarHBondContact O-N 3.31Å; W710-G712 VanDerWaalsContact C-N 3.26Å; W710-G712 PolarHBondContact O-N 3.25Å; G712-A715 PolarHBondContact O-N 3.49Å; G712-R716 WeakPolarHBondContact O-CG 3.34Å; G712-R716 PolarHBondContact O-N 3.48Å |
| 713 | A | 95.4 | Very high | 94.2 | Very high | 38 Ų | 38 | 111.5 Ų | 111.5 | 31% | 0.314 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.8 | -46.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V709 W710 A715 R716 L717 | V709-A713 PolarHBondContact O-N 2.75Å; W710-A713 WeakPolarHBondContact O-CB 3.44Å; W710-A713 PolarHBondContact O-N 3Å; A713-A715 VanDerWaalsContact C-N 3.34Å; A713-A715 PolarHBondContact O-N 3.35Å; A713-R716 PolarHBondContact O-N 2.93Å; A713-L717 WeakPolarHBondContact O-CB 3.44Å; A713-L717 PolarHBondContact O-N 2.92Å |
| 714 | L | 95.6 | Very high | 94.4 | Very high | 84 Ų | 84 | 110.7 Ų | 110.7 | 44% | 0.44 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.8 | -43 | 175.2 | -65.8 | 178.4 | 0 | 0 | 0 | 111.8 | W710 R711 L717 R718 | W710-L714 HydrophobicContact CD2-CG 4.5Å; W710-L714 HydrophobicContact CH2-CD2 4.45Å; W710-L714 HydrophobicContact CZ2-CD2 3.97Å; W710-L714 HydrophobicContact CZ2-CG 4.41Å; W710-L714 WeakPolarHBondContact O-CG 3.43Å; W710-L714 PolarHBondContact O-N 3.38Å; R711-L714 PolarHBondContact O-N 3.29Å; L714-L717 PolarHBondContact O-N 3.22Å; L714-R718 PolarHBondContact O-N 2.95Å |
| 715 | A | 95.4 | Very high | 94.4 | Very high | 59 Ų | 59 | 109.5 Ų | 109.5 | 49% | 0.488 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R711 G712 A713 L717 R718 C719 | R711-A715 WeakPolarHBondContact O-CB 3.5Å; R711-A715 PolarHBondContact O-N 3.25Å; G712-A715 PolarHBondContact O-N 3.49Å; A713-A715 VanDerWaalsContact C-N 3.34Å; A713-A715 PolarHBondContact O-N 3.35Å; A715-L717 VanDerWaalsContact C-N 3.35Å; A715-L717 PolarHBondContact O-N 3.31Å; A715-R718 PolarHBondContact O-N 3.03Å; A715-C719 PolarHBondContact O-N 3.27Å |
| 716 | R | 95.2 | Very high | 94.5 | Very high | 149 Ų | 149 | 110.8 Ų | 110.8 | 56% | 0.562 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.4 | -40.9 | 175.4 | -75 | -174.8 | -69.9 | -94.3 | 2.1 | 111.9 | G712 A713 C719 R720 | G712-R716 WeakPolarHBondContact O-CG 3.34Å; G712-R716 PolarHBondContact O-N 3.48Å; A713-R716 PolarHBondContact O-N 2.93Å; R716-C719 PolarHBondContact O-N 3.45Å; R716-R720 WeakPolarHBondContact O-CG 3.47Å; R716-R720 PolarHBondContact O-N 2.94Å |
| 717 | L | 94.2 | Very high | 94.5 | Very high | 81 Ų | 81 | 109.7 Ų | 109.7 | 42% | 0.424 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.7 | -46.6 | 175.3 | -176.8 | 67.1 | 0 | 0 | 0 | 111.3 | A713 L714 A715 C719 R720 R721 | A713-L717 WeakPolarHBondContact O-CB 3.44Å; A713-L717 PolarHBondContact O-N 2.92Å; L714-L717 PolarHBondContact O-N 3.22Å; A715-L717 VanDerWaalsContact C-N 3.35Å; A715-L717 PolarHBondContact O-N 3.31Å; L717-C719 VanDerWaalsContact C-N 3.34Å; L717-C719 PolarHBondContact O-N 3.48Å; L717-R720 PolarHBondContact O-N 3.35Å; L717-R721 WeakPolarHBondContact O-CG 3.47Å; L717-R721 PolarHBondContact O-N 3.3Å |
| 718 | R | 93.9 | Very high | 94.6 | Very high | 187 Ų | 187 | 111.6 Ų | 111.6 | 71% | 0.706 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.1 | -42.9 | 176.1 | -173.1 | 178 | -179.8 | -178.6 | 0.2 | 111.8 | L714 A715 R721 M722 | L714-R718 PolarHBondContact O-N 2.95Å; A715-R718 PolarHBondContact O-N 3.03Å; R718-R721 PolarHBondContact O-N 3.3Å; R718-M722 WeakPolarHBondContact O-CB 3.5Å; R718-M722 PolarHBondContact O-N 2.99Å |
| 719 | C | 94.9 | Very high | 94.3 | Very high | 59 Ų | 59 | 108.2 Ų | 108.2 | 40% | 0.399 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.5 | -44 | 177.1 | -175.5 | 0 | 0 | 0 | 0 | 112.2 | A715 R716 L717 R721 M722 R723 | A715-C719 PolarHBondContact O-N 3.27Å; R716-C719 PolarHBondContact O-N 3.45Å; L717-C719 VanDerWaalsContact C-N 3.34Å; L717-C719 PolarHBondContact O-N 3.48Å; C719-R721 PolarHBondContact O-N 2.98Å; C719-M722 PolarHBondContact O-N 3.3Å; C719-R723 WeakPolarHBondContact O-CG 3.49Å; C719-R723 PolarHBondContact O-N 3.32Å |
| 720 | R | 93.9 | Very high | 94 | Very high | 185 Ų | 185 | 106.2 Ų | 106.2 | 70% | 0.698 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.1 | -45.2 | 174.9 | -72.6 | -178.8 | -174.7 | 175.4 | 1.3 | 112 | R716 L717 M722 R723 A724 | R716-R720 WeakPolarHBondContact O-CG 3.47Å; R716-R720 PolarHBondContact O-N 2.94Å; L717-R720 PolarHBondContact O-N 3.35Å; R720-M722 PolarHBondContact O-N 3.02Å; R720-R723 PolarHBondContact O-N 3.46Å; R720-A724 PolarHBondContact O-N 2.93Å |
| 721 | R | 93.3 | Very high | 93.8 | Very high | 167 Ų | 167 | 101.8 Ų | 101.8 | 63% | 0.63 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -59.1 | -45.9 | 175.3 | -72.4 | 179.8 | 177.9 | 176.2 | -0.4 | 111.5 | L717 R718 C719 R723 A724 I725 | L717-R721 WeakPolarHBondContact O-CG 3.47Å; L717-R721 PolarHBondContact O-N 3.3Å; R718-R721 PolarHBondContact O-N 3.3Å; C719-R721 PolarHBondContact O-N 2.98Å; R721-R723 PolarHBondContact O-N 3.4Å; R721-A724 PolarHBondContact O-N 3.34Å; R721-I725 WeakPolarHBondContact O-CG1 3.48Å; R721-I725 PolarHBondContact O-N 3.16Å |
| 722 | M | 93.4 | Very high | 93.5 | Very high | 81 Ų | 81 | 100.4 Ų | 100.4 | 40% | 0.399 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 178.1 | -168.5 | 65.6 | 71.7 | 0 | 0 | 112.1 | R718 C719 R720 A724 I725 Y726 | R718-M722 WeakPolarHBondContact O-CB 3.5Å; R718-M722 PolarHBondContact O-N 2.99Å; C719-M722 PolarHBondContact O-N 3.3Å; R720-M722 PolarHBondContact O-N 3.02Å; M722-A724 PolarHBondContact O-N 2.78Å; M722-I725 WeakPolarHBondContact O-CB 3.26Å; M722-I725 PolarHBondContact O-N 2.74Å; M722-Y726 HydrophobicContact CG-CD2 4.07Å; M722-Y726 HydrophobicContact CG-CE2 3.63Å; M722-Y726 WeakPolarHBondContact O-CD2 3.41Å; M722-Y726 PolarHBondContact O-N 3.28Å; M722-Y726 VanDerWaalsContact O-N 3.09Å; M722-Y726 HydrophobicContact SD-CE2 4Å |
| 723 | R | 93.6 | Very high | 93 | Very high | 177 Ų | 177 | 106 Ų | 106 | 67% | 0.668 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.7 | -43.1 | 175.3 | -73.2 | 179.7 | 175.3 | -168.5 | -2 | 111.9 | C719 R720 R721 I725 Y726 T727 | C719-R723 WeakPolarHBondContact O-CG 3.49Å; C719-R723 PolarHBondContact O-N 3.32Å; R720-R723 PolarHBondContact O-N 3.46Å; R721-R723 PolarHBondContact O-N 3.4Å; R723-I725 VanDerWaalsContact C-N 3.35Å; R723-I725 PolarHBondContact O-N 2.99Å; R723-Y726 PolarHBondContact O-N 3.09Å; R723-T727 PolarHBondContact O-N 2.85Å; R723-T727 PolarHBondContact O-OG1 2.9Å; R723-T727 VanDerWaalsContact O-OG1 3.13Å |
| 724 | A | 93.7 | Very high | 92.7 | Very high | 49 Ų | 49 | 113.1 Ų | 113.1 | 41% | 0.405 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.4 | -42 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | R720 R721 M722 Y726 T727 I728 | R720-A724 PolarHBondContact O-N 2.93Å; R721-A724 PolarHBondContact O-N 3.34Å; M722-A724 PolarHBondContact O-N 2.78Å; A724-Y726 PolarHBondContact O-N 3.22Å; A724-T727 PolarHBondContact O-N 3.38Å; A724-I728 VanDerWaalsContact O-CG1 3.31Å; A724-I728 WeakPolarHBondContact O-CG1 3.36Å; A724-I728 PolarHBondContact O-N 3.27Å |
| 725 | I | 93.4 | Very high | 92.4 | Very high | 85 Ų | 85 | 115.5 Ų | 115.5 | 44% | 0.436 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -57.1 | -49.3 | 174.6 | -69.1 | 165.9 | 0 | 0 | 0 | 110.4 | R721 M722 R723 T727 I728 M729 | R721-I725 WeakPolarHBondContact O-CG1 3.48Å; R721-I725 PolarHBondContact O-N 3.16Å; M722-I725 WeakPolarHBondContact O-CB 3.26Å; M722-I725 PolarHBondContact O-N 2.74Å; R723-I725 VanDerWaalsContact C-N 3.35Å; R723-I725 PolarHBondContact O-N 2.99Å; I725-T727 VanDerWaalsContact C-N 3.32Å; I725-T727 PolarHBondContact O-N 2.95Å; I725-I728 PolarHBondContact O-N 3.19Å; I725-M729 HydrophobicContact CG2-CG 4.23Å; I725-M729 HydrophobicContact CG2-SD 3.79Å; I725-M729 WeakPolarHBondContact O-CB 3.41Å; I725-M729 VanDerWaalsContact O-CG 3.27Å; I725-M729 WeakPolarHBondContact O-CG 3.48Å; I725-M729 PolarHBondContact O-N 3.46Å |
| 726 | Y | 93.1 | Very high | 92 | Very high | 152 Ų | 152 | 117.3 Ų | 117.3 | 60% | 0.596 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.2 | -39.3 | 178.4 | -75.5 | -60.3 | 0 | 0 | 0 | 112.8 | M722 R723 A724 M729 G730 | M722-Y726 HydrophobicContact CG-CD2 4.07Å; M722-Y726 HydrophobicContact CG-CE2 3.63Å; M722-Y726 WeakPolarHBondContact O-CD2 3.41Å; M722-Y726 PolarHBondContact O-N 3.28Å; M722-Y726 VanDerWaalsContact O-N 3.09Å; M722-Y726 HydrophobicContact SD-CE2 4Å; R723-Y726 PolarHBondContact O-N 3.09Å; A724-Y726 PolarHBondContact O-N 3.22Å; Y726-M729 HydrophobicContact CD1-SD 4.37Å; Y726-M729 PolarHBondContact O-N 3.26Å; Y726-G730 PolarHBondContact O-N 3.13Å |
| 727 | T | 93.5 | Very high | 91.6 | Very high | 92 Ų | 92 | 112.4 Ų | 112.4 | 56% | 0.564 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62 | -47.7 | 174.2 | -57.3 | 0 | 0 | 0 | 0 | 111.5 | R723 A724 I725 M729 G730 C731 | R723-T727 PolarHBondContact O-N 2.85Å; R723-T727 PolarHBondContact O-OG1 2.9Å; R723-T727 VanDerWaalsContact O-OG1 3.13Å; A724-T727 PolarHBondContact O-N 3.38Å; I725-T727 VanDerWaalsContact C-N 3.32Å; I725-T727 PolarHBondContact O-N 2.95Å; T727-M729 PolarHBondContact O-N 2.98Å; T727-G730 PolarHBondContact O-N 3.48Å; T727-C731 PolarHBondContact O-N 3.33Å; T727-C731 PolarHBondContact O-SG 3.48Å |
| 728 | I | 93.7 | Very high | 91.4 | Very high | 116 Ų | 116 | 114.7 Ų | 114.7 | 60% | 0.595 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.6 | -47 | 177.8 | -68 | 165.5 | 0 | 0 | 0 | 110.5 | A724 I725 G730 C731 Y732 | A724-I728 VanDerWaalsContact O-CG1 3.31Å; A724-I728 WeakPolarHBondContact O-CG1 3.36Å; A724-I728 PolarHBondContact O-N 3.27Å; I725-I728 PolarHBondContact O-N 3.19Å; I728-G730 VanDerWaalsContact C-N 3.28Å; I728-G730 PolarHBondContact O-N 2.98Å; I728-C731 PolarHBondContact O-N 3.47Å; I728-Y732 WeakPolarHBondContact O-CB 3.46Å; I728-Y732 PolarHBondContact O-N 3.29Å |
| 729 | M | 90.8 | Very high | 91.1 | Very high | 87 Ų | 87 | 107.1 Ų | 107.1 | 43% | 0.429 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -57.8 | -42.1 | 176 | -71.7 | 175.6 | 74.3 | 0 | 0 | 111.5 | I725 Y726 T727 Y732 K733 | I725-M729 HydrophobicContact CG2-CG 4.23Å; I725-M729 HydrophobicContact CG2-SD 3.79Å; I725-M729 WeakPolarHBondContact O-CB 3.41Å; I725-M729 VanDerWaalsContact O-CG 3.27Å; I725-M729 WeakPolarHBondContact O-CG 3.48Å; I725-M729 PolarHBondContact O-N 3.46Å; Y726-M729 HydrophobicContact CD1-SD 4.37Å; Y726-M729 PolarHBondContact O-N 3.26Å; T727-M729 PolarHBondContact O-N 2.98Å; M729-Y732 PolarHBondContact O-N 2.95Å; M729-K733 WeakPolarHBondContact O-CB 3.35Å; M729-K733 VanDerWaalsContact O-CG 3.28Å; M729-K733 WeakPolarHBondContact O-CG 3.48Å; M729-K733 PolarHBondContact O-N 2.84Å |
| 730 | G | 89.8 | Confident | 90.8 | Very high | 29 Ų | 29 | 104.9 Ų | 104.9 | 30% | 0.299 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.2 | -48.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y726 T727 I728 K733 R734 | Y726-G730 PolarHBondContact O-N 3.13Å; T727-G730 PolarHBondContact O-N 3.48Å; I728-G730 VanDerWaalsContact C-N 3.28Å; I728-G730 PolarHBondContact O-N 2.98Å; G730-K733 PolarHBondContact O-N 2.84Å; G730-R734 WeakPolarHBondContact O-CG 3.27Å; G730-R734 PolarHBondContact O-N 2.98Å |
| 731 | C | 91.4 | Very high | 90.6 | Very high | 76 Ų | 76 | 100 Ų | 100 | 51% | 0.514 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.3 | -45 | 176.1 | -69.6 | 0 | 0 | 0 | 0 | 111.9 | T727 I728 R734 Y735 | T727-C731 PolarHBondContact O-N 3.33Å; T727-C731 PolarHBondContact O-SG 3.48Å; I728-C731 PolarHBondContact O-N 3.47Å; C731-R734 PolarHBondContact O-N 2.84Å; C731-Y735 PolarHBondContact O-N 3.47Å |
| 732 | Y | 89.1 | Confident | 90.5 | Very high | 136 Ų | 136 | 99.1 Ų | 99.1 | 53% | 0.533 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 178.8 | -179.2 | -99.8 | 0 | 0 | 0 | 112.4 | I728 M729 R734 Y735 K736 | I728-Y732 WeakPolarHBondContact O-CB 3.46Å; I728-Y732 PolarHBondContact O-N 3.29Å; M729-Y732 PolarHBondContact O-N 2.95Å; Y732-R734 VanDerWaalsContact C-N 3.34Å; Y732-R734 PolarHBondContact O-N 2.8Å; Y732-Y735 PolarHBondContact O-N 3.3Å; Y732-K736 HydrophobicContact CD1-CG 4.22Å; Y732-K736 HydrophobicContact CE1-CG 3.77Å; Y732-K736 HydrophobicContact CE2-CG 4.29Å; Y732-K736 PolarHBondContact O-N 2.96Å; Y732-K736 WeakPolarHBondContact OH-CE 3.39Å |
| 733 | K | 86.2 | Confident | 90.4 | Very high | 137 Ų | 137 | 97.6 Ų | 97.6 | 60% | 0.596 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -57.7 | -46.1 | 176 | -76.3 | 176.3 | -179.3 | -175.3 | 0 | 111.4 | M729 G730 K736 V737 | M729-K733 WeakPolarHBondContact O-CB 3.35Å; M729-K733 VanDerWaalsContact O-CG 3.28Å; M729-K733 WeakPolarHBondContact O-CG 3.48Å; M729-K733 PolarHBondContact O-N 2.84Å; G730-K733 PolarHBondContact O-N 2.84Å; K733-K736 PolarHBondContact O-N 3.17Å; K733-V737 WeakPolarHBondContact O-CG2 3.34Å; K733-V737 PolarHBondContact O-N 2.85Å |
| 734 | R | 88.4 | Confident | 90.2 | Very high | 188 Ų | 188 | 90.4 Ų | 90.4 | 71% | 0.709 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -63.5 | -43.2 | 176.9 | -68.9 | -179.9 | -166.5 | 174.2 | 3.8 | 112.1 | G730 C731 Y732 V737 K738 | G730-R734 WeakPolarHBondContact O-CG 3.27Å; G730-R734 PolarHBondContact O-N 2.98Å; C731-R734 PolarHBondContact O-N 2.84Å; Y732-R734 VanDerWaalsContact C-N 3.34Å; Y732-R734 PolarHBondContact O-N 2.8Å; R734-V737 PolarHBondContact O-N 2.85Å; R734-K738 PolarHBondContact O-N 2.71Å |
| 735 | Y | 89 | Confident | 90 | Very high | 134 Ų | 134 | 94.6 Ų | 94.6 | 53% | 0.525 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60.7 | -46.6 | 176.8 | 170.6 | -99.9 | 0 | 0 | 0 | 111.7 | C731 Y732 V737 K738 A739 | C731-Y735 PolarHBondContact O-N 3.47Å; Y732-Y735 PolarHBondContact O-N 3.3Å; Y735-V737 VanDerWaalsContact C-N 3.29Å; Y735-V737 PolarHBondContact O-N 3.21Å; Y735-K738 PolarHBondContact O-N 2.93Å; Y735-K738 VanDerWaalsContact O-N 3.14Å; Y735-A739 HydrophobicContact CE1-CB 4.36Å; Y735-A739 WeakPolarHBondContact O-CB 3.2Å; Y735-A739 PolarHBondContact O-N 2.79Å |
| 736 | K | 87 | Confident | 89.8 | Confident | 97 Ų | 97 | 98.3 Ų | 98.3 | 42% | 0.422 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -58.9 | -39.3 | 178.7 | -81.1 | -67.4 | -171.2 | -180 | 0 | 113 | Y732 K733 H740 | Y732-K736 HydrophobicContact CD1-CG 4.22Å; Y732-K736 HydrophobicContact CE1-CG 3.77Å; Y732-K736 HydrophobicContact CE2-CG 4.29Å; Y732-K736 PolarHBondContact O-N 2.96Å; Y732-K736 WeakPolarHBondContact OH-CE 3.39Å; K733-K736 PolarHBondContact O-N 3.17Å; K736-H740 PolarHBondContact O-N 2.76Å |
| 737 | V | 87.8 | Confident | 89.7 | Confident | 46 Ų | 46 | 95 Ų | 95 | 28% | 0.279 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.4 | -51 | 173.6 | 168.7 | 0 | 0 | 0 | 0 | 110.7 | K733 R734 Y735 A739 H740 F741 L770 | K733-V737 WeakPolarHBondContact O-CG2 3.34Å; K733-V737 PolarHBondContact O-N 2.85Å; R734-V737 PolarHBondContact O-N 2.85Å; Y735-V737 VanDerWaalsContact C-N 3.29Å; Y735-V737 PolarHBondContact O-N 3.21Å; V737-A739 PolarHBondContact O-N 3.34Å; V737-H740 PolarHBondContact O-N 2.88Å; V737-F741 HydrophobicContact CG1-CD2 3.99Å; V737-F741 HydrophobicContact CG1-CE2 3.67Å; V737-F741 WeakPolarHBondContact O-CD2 3.39Å; V737-F741 PolarHBondContact O-N 3.12Å; V737-L770 HydrophobicContact CG1-CD1 4.13Å; V737-L770 HydrophobicContact CG1-CD2 4.44Å; V737-L770 HydrophobicContact CG2-CD1 4.46Å |
| 738 | K | 89.2 | Confident | 89.5 | Confident | 128 Ų | 128 | 92.2 Ų | 92.2 | 56% | 0.557 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -61 | -43.8 | 179.2 | -73.3 | -173 | 176.2 | -170.6 | 0 | 113 | R734 Y735 H740 F741 W742 | R734-K738 PolarHBondContact O-N 2.71Å; Y735-K738 PolarHBondContact O-N 2.93Å; Y735-K738 VanDerWaalsContact O-N 3.14Å; K738-H740 VanDerWaalsContact C-N 3.28Å; K738-H740 PolarHBondContact O-N 3.08Å; K738-F741 WeakPolarHBondContact O-CB 3.48Å; K738-F741 PolarHBondContact O-N 2.95Å; K738-F741 VanDerWaalsContact O-N 3.11Å; K738-W742 PolarHBondContact O-N 2.96Å |
| 739 | A | 88.7 | Confident | 89.2 | Confident | 28 Ų | 28 | 90.5 Ų | 90.5 | 23% | 0.231 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -60.7 | -38 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y735 V737 W742 E743 | Y735-A739 HydrophobicContact CE1-CB 4.36Å; Y735-A739 WeakPolarHBondContact O-CB 3.2Å; Y735-A739 PolarHBondContact O-N 2.79Å; V737-A739 PolarHBondContact O-N 3.34Å; A739-W742 PolarHBondContact O-N 3.08Å; A739-E743 PolarHBondContact O-N 3.18Å |
| 740 | H | 88.4 | Confident | 89 | Confident | 13 Ų | 13 | 89.8 Ų | 89.8 | 6% | 0.06 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -62.9 | -44.5 | 173.6 | 178.7 | 73.7 | 0 | 0 | 0 | 111.8 | K736 V737 K738 E743 V744 P764 A765 P766 P767 L770 | K736-H740 PolarHBondContact O-N 2.76Å; V737-H740 PolarHBondContact O-N 2.88Å; K738-H740 VanDerWaalsContact C-N 3.28Å; K738-H740 PolarHBondContact O-N 3.08Å; H740-E743 PolarHBondContact O-N 3.39Å; H740-V744 WeakPolarHBondContact O-CG2 3.36Å; H740-V744 PolarHBondContact O-N 2.81Å; H740-P764 PolarHBondContact CE1-O 2.53Å; H740-A765 PolarHBondContact ND1-O 2.84Å; H740-P766 VanDerWaalsContact CE1-CA 3.43Å; H740-P766 WeakPolarHBondContact CE1-CA 3.29Å; H740-P767 HydrophobicContact CB-CG 4.04Å; H740-L770 HydrophobicContact CB-CD1 4.39Å |
| 741 | F | 88.9 | Confident | 88.9 | Confident | 81 Ų | 81 | 88.8 Ų | 88.8 | 36% | 0.355 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 176.9 | -78.4 | -68.8 | 0 | 0 | 0 | 112.7 | V737 K738 E743 V744 E745 L770 F773 | V737-F741 HydrophobicContact CG1-CD2 3.99Å; V737-F741 HydrophobicContact CG1-CE2 3.67Å; V737-F741 WeakPolarHBondContact O-CD2 3.39Å; V737-F741 PolarHBondContact O-N 3.12Å; K738-F741 WeakPolarHBondContact O-CB 3.48Å; K738-F741 PolarHBondContact O-N 2.95Å; K738-F741 VanDerWaalsContact O-N 3.11Å; F741-E743 VanDerWaalsContact C-N 3.28Å; F741-E743 PolarHBondContact O-N 3.44Å; F741-V744 PolarHBondContact O-N 3.05Å; F741-E745 WeakPolarHBondContact O-CB 3.49Å; F741-E745 PolarHBondContact O-N 2.95Å; F741-L770 HydrophobicContact CE2-CD1 4.09Å; F741-L770 HydrophobicContact CZ-CD1 4.41Å; F741-F773 HydrophobicContact CD1-CE1 4.37Å; F741-F773 HydrophobicContact CE1-CD1 4.09Å; F741-F773 AromaticContact CE1-CE1 3.38Å; F741-F773 HydrophobicContact CE1-CE1 3.38Å; F741-F773 AromaticContact CE1-CZ 3.67Å; F741-F773 HydrophobicContact CE1-CZ 3.67Å; F741-F773 HydrophobicContact CZ-CD1 4.26Å; F741-F773 AromaticContact CZ-CE1 3.96Å; F741-F773 HydrophobicContact CZ-CE1 3.96Å; F741-F773 HydrophobicContact CZ-CZ 4.28Å |
| 742 | W | 91.8 | Very high | 88.6 | Confident | 149 Ų | 149 | 94.5 Ų | 94.5 | 56% | 0.564 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -60.4 | -38.4 | 176.1 | -68.4 | -33.1 | 0 | 0 | 0 | 112.4 | K738 A739 E745 R746 | K738-W742 PolarHBondContact O-N 2.96Å; A739-W742 PolarHBondContact O-N 3.08Å; W742-E745 PolarHBondContact O-N 3.47Å; W742-R746 VanDerWaalsContact O-CB 3.26Å; W742-R746 WeakPolarHBondContact O-CB 3.4Å; W742-R746 PolarHBondContact O-N 3.47Å |
| 743 | E | 90.3 | Very high | 88.3 | Confident | 50 Ų | 50 | 93.8 Ų | 93.8 | 23% | 0.234 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -69.4 | -37.8 | 177.3 | -177.1 | 60 | -169.8 | 0 | 0 | 112.3 | A739 H740 F741 R746 R747 P764 | A739-E743 PolarHBondContact O-N 3.18Å; H740-E743 PolarHBondContact O-N 3.39Å; F741-E743 VanDerWaalsContact C-N 3.28Å; F741-E743 PolarHBondContact O-N 3.44Å; E743-R746 IonicContact OE1-CZ 2.8Å; E743-R746 IonicContact OE1-NE 3.95Å; E743-R746 IonicContact OE1-NH2 3.88Å; E743-R746 PolarHBondContact OE1-NH2 3.3Å; E743-R746 IonicContact OE2-CZ 2.94Å; E743-R746 IonicContact OE2-NE 2.98Å; E743-R746 PolarHBondContact OE2-NE 3.3Å; E743-R746 IonicContact OE2-NH2 3.88Å; E743-R746 PolarHBondContact OE2-NH2 3.18Å; E743-R747 WeakPolarHBondContact O-CG 3.25Å; E743-R747 PolarHBondContact O-N 3.26Å; E743-R747 IonicContact OE1-CZ 2.81Å; E743-R747 IonicContact OE1-NE 2.97Å; E743-R747 PolarHBondContact OE1-NE 3.19Å; E743-R747 IonicContact OE1-NH2 2.75Å; E743-R747 PolarHBondContact OE1-NH2 2.92Å; E743-P764 HydrophobicContact CG-CB 3.81Å; E743-P764 HydrophobicContact CG-CG 4.14Å |
| 744 | V | 89.4 | Confident | 88.3 | Confident | 26 Ų | 26 | 90.5 Ų | 90.5 | 16% | 0.158 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -62 | -49.9 | 172.3 | 173.4 | 0 | 0 | 0 | 0 | 110.3 | H740 F741 R746 R747 F748 W763 P764 | H740-V744 WeakPolarHBondContact O-CG2 3.36Å; H740-V744 PolarHBondContact O-N 2.81Å; F741-V744 PolarHBondContact O-N 3.05Å; V744-R746 VanDerWaalsContact C-N 3.34Å; V744-R746 PolarHBondContact O-N 2.86Å; V744-R747 PolarHBondContact O-N 3.36Å; V744-F748 HydrophobicContact CG1-CD2 4.26Å; V744-F748 WeakPolarHBondContact O-CB 3.47Å; V744-F748 WeakPolarHBondContact O-CD2 3.4Å; V744-F748 PolarHBondContact O-N 3.49Å; V744-W763 HydrophobicContact CG1-CZ3 4.3Å; V744-P764 HydrophobicContact CB-CG 4.38Å; V744-P764 HydrophobicContact CG2-CG 3.41Å; V744-P764 VanDerWaalsContact CG2-CG 3.41Å |
| 745 | E | 89.8 | Confident | 87.9 | Confident | 137 Ų | 137 | 87.8 Ų | 87.8 | 64% | 0.64 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -57.7 | -46.8 | 178.8 | -176.9 | 174.3 | -149.7 | 0 | 0 | 111.5 | F741 W742 R747 F748 A749 | F741-E745 WeakPolarHBondContact O-CB 3.49Å; F741-E745 PolarHBondContact O-N 2.95Å; W742-E745 PolarHBondContact O-N 3.47Å; E745-R747 PolarHBondContact O-N 2.96Å; E745-F748 PolarHBondContact O-N 3.47Å; E745-A749 WeakPolarHBondContact O-CB 3.16Å; E745-A749 PolarHBondContact O-N 3.03Å |
| 746 | R | 90.5 | Very high | 87.8 | Confident | 162 Ų | 162 | 83.8 Ų | 83.8 | 61% | 0.611 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -59.8 | -46.2 | 178.4 | -170.1 | -170.7 | 71.6 | 80.2 | 0.8 | 112.5 | W742 E743 V744 | W742-R746 VanDerWaalsContact O-CB 3.26Å; W742-R746 WeakPolarHBondContact O-CB 3.4Å; W742-R746 PolarHBondContact O-N 3.47Å; E743-R746 IonicContact OE1-CZ 2.8Å; E743-R746 IonicContact OE1-NE 3.95Å; E743-R746 IonicContact OE1-NH2 3.88Å; E743-R746 PolarHBondContact OE1-NH2 3.3Å; E743-R746 IonicContact OE2-CZ 2.94Å; E743-R746 IonicContact OE2-NE 2.98Å; E743-R746 PolarHBondContact OE2-NE 3.3Å; E743-R746 IonicContact OE2-NH2 3.88Å; E743-R746 PolarHBondContact OE2-NH2 3.18Å; V744-R746 VanDerWaalsContact C-N 3.34Å; V744-R746 PolarHBondContact O-N 2.86Å |
| 747 | R | 89.7 | Confident | 87.7 | Confident | 82 Ų | 82 | 81.6 Ų | 81.6 | 31% | 0.309 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -69.5 | -33.5 | -179.6 | -71.4 | -172.5 | -169.1 | -157.3 | -2.6 | 112.8 | E743 V744 E745 V761 E762 | E743-R747 WeakPolarHBondContact O-CG 3.25Å; E743-R747 PolarHBondContact O-N 3.26Å; E743-R747 IonicContact OE1-CZ 2.81Å; E743-R747 IonicContact OE1-NE 2.97Å; E743-R747 PolarHBondContact OE1-NE 3.19Å; E743-R747 IonicContact OE1-NH2 2.75Å; E743-R747 PolarHBondContact OE1-NH2 2.92Å; V744-R747 PolarHBondContact O-N 3.36Å; E745-R747 PolarHBondContact O-N 2.96Å; R747-V761 HydrophobicContact CB-CG1 4.23Å; R747-E762 VanDerWaalsContact CD-O 3.27Å; R747-E762 WeakPolarHBondContact CD-O 3.23Å; R747-E762 PolarHBondContact NH1-O 3.47Å |
| 748 | F | 90.1 | Very high | 87.4 | Confident | 35 Ų | 35 | 79.5 Ų | 79.5 | 15% | 0.154 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -98 | -0.8 | -174 | -75.7 | -98.1 | 0 | 0 | 0 | 114.4 | V744 E745 S750 V751 V761 W763 H781 | V744-F748 HydrophobicContact CG1-CD2 4.26Å; V744-F748 WeakPolarHBondContact O-CB 3.47Å; V744-F748 WeakPolarHBondContact O-CD2 3.4Å; V744-F748 PolarHBondContact O-N 3.49Å; E745-F748 PolarHBondContact O-N 3.47Å; F748-S750 VanDerWaalsContact C-N 3.3Å; F748-S750 PolarHBondContact O-N 3.47Å; F748-V751 HydrophobicContact CB-CG2 4.25Å; F748-V751 HydrophobicContact CD1-CB 4.4Å; F748-V751 HydrophobicContact CD1-CG2 3.72Å; F748-V751 HydrophobicContact CE1-CG2 4.34Å; F748-V751 HydrophobicContact CG-CG2 4.22Å; F748-V751 PolarHBondContact O-N 3.35Å; F748-V761 HydrophobicContact CD2-CG1 4.27Å; F748-V761 HydrophobicContact CE1-CB 4.49Å; F748-V761 HydrophobicContact CE1-CG1 4.2Å; F748-V761 HydrophobicContact CE2-CG1 3.83Å; F748-V761 HydrophobicContact CZ-CB 4.33Å; F748-V761 HydrophobicContact CZ-CG1 3.76Å; F748-W763 HydrophobicContact CD1-CZ2 4.47Å; F748-W763 AromaticContact CE1-CE2 3.81Å; F748-W763 HydrophobicContact CE1-CH2 4.16Å; F748-W763 AromaticContact CE1-CZ2 3.62Å; F748-W763 HydrophobicContact CE1-CZ2 3.62Å; F748-W763 AromaticContact CE2-CD2 3.93Å; F748-W763 HydrophobicContact CE2-CD2 3.93Å; F748-W763 HydrophobicContact CE2-CE3 4.09Å; F748-W763 HydrophobicContact CE2-CG 4.31Å; F748-W763 HydrophobicContact CE2-CH2 4.46Å; F748-W763 HydrophobicContact CE2-CZ2 4.34Å; F748-W763 HydrophobicContact CE2-CZ3 4.35Å; F748-W763 AromaticContact CZ-CD1 3.9Å; F748-W763 AromaticContact CZ-CD2 3.6Å; F748-W763 HydrophobicContact CZ-CD2 3.6Å; F748-W763 AromaticContact CZ-CE2 3.29Å; F748-W763 HydrophobicContact CZ-CE3 4.13Å; F748-W763 AromaticContact CZ-CG 3.97Å; F748-W763 HydrophobicContact CZ-CG 3.97Å; F748-W763 HydrophobicContact CZ-CH2 4.07Å; F748-W763 AromaticContact CZ-CZ2 3.55Å; F748-W763 HydrophobicContact CZ-CZ2 3.55Å; F748-W763 HydrophobicContact CZ-CZ3 4.34Å; F748-W763 AromaticContact CZ-NE1 3.5Å; F748-H781 AromaticContact CE1-NE2 3.94Å |
| 749 | A | 87.3 | Confident | 87.1 | Confident | 79 Ų | 79 | 80.6 Ų | 80.6 | 65% | 0.653 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -41.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114 | E745 | E745-A749 WeakPolarHBondContact O-CB 3.16Å; E745-A749 PolarHBondContact O-N 3.03Å |
| 750 | S | 86.5 | Confident | 86.9 | Confident | 73 Ų | 73 | 83.8 Ų | 83.8 | 51% | 0.51 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 7 | -174.8 | -54.3 | 0 | 0 | 0 | 0 | 114.3 | F748 R752 T753 | F748-S750 VanDerWaalsContact C-N 3.3Å; F748-S750 PolarHBondContact O-N 3.47Å; S750-R752 PolarHBondContact O-N 3.23Å; S750-R752 VanDerWaalsContact O-N 3.12Å; S750-T753 PolarHBondContact O-N 2.91Å; S750-T753 VanDerWaalsContact O-N 3.09Å; S750-T753 PolarHBondContact O-OG1 3.3Å |
| 751 | V | 88.4 | Confident | 86.8 | Confident | 8 Ų | 8 | 84.3 Ų | 84.3 | 5% | 0.048 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -59.8 | -30.9 | -172.7 | 159.1 | 0 | 0 | 0 | 0 | 113 | F748 T753 M754 Y757 V761 W784 | F748-V751 HydrophobicContact CB-CG2 4.25Å; F748-V751 HydrophobicContact CD1-CB 4.4Å; F748-V751 HydrophobicContact CD1-CG2 3.72Å; F748-V751 HydrophobicContact CE1-CG2 4.34Å; F748-V751 HydrophobicContact CG-CG2 4.22Å; F748-V751 PolarHBondContact O-N 3.35Å; V751-T753 VanDerWaalsContact C-N 3.26Å; V751-T753 PolarHBondContact O-N 2.96Å; V751-M754 HydrophobicContact CG2-SD 4.44Å; V751-M754 PolarHBondContact O-N 2.82Å; V751-Y757 WeakPolarHBondContact CG1-O 3.26Å; V751-V761 HydrophobicContact CG2-CB 4.47Å; V751-V761 HydrophobicContact CG2-CG2 3.93Å; V751-W784 HydrophobicContact CG1-CH2 4.2Å; V751-W784 HydrophobicContact CG1-CZ3 3.91Å |
| 752 | R | 83.9 | Confident | 86.8 | Confident | 196 Ų | 196 | 87.6 Ų | 87.6 | 74% | 0.74 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -66.3 | -25.9 | -179.9 | -172.2 | 170.3 | -179.3 | 178 | -2 | 114 | S750 W784 | S750-R752 PolarHBondContact O-N 3.23Å; S750-R752 VanDerWaalsContact O-N 3.12Å; R752-W784 HydrophobicContact CB-CH2 4.49Å; R752-W784 HydrophobicContact CB-CZ2 4.44Å; R752-W784 HydrophobicContact CG-CZ2 4.21Å |
| 753 | T | 83.8 | Confident | 86.7 | Confident | 121 Ų | 121 | 83 Ų | 83 | 74% | 0.742 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -99.7 | -5.1 | -177.6 | 54.5 | 0 | 0 | 0 | 0 | 113 | S750 V751 | S750-T753 PolarHBondContact O-N 2.91Å; S750-T753 VanDerWaalsContact O-N 3.09Å; S750-T753 PolarHBondContact O-OG1 3.3Å; V751-T753 VanDerWaalsContact C-N 3.26Å; V751-T753 PolarHBondContact O-N 2.96Å |
| 754 | M | 85.4 | Confident | 86.7 | Confident | 68 Ų | 68 | 81 Ų | 81 | 34% | 0.335 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -74 | 145.2 | 178.3 | -72.9 | 179.7 | 156.6 | 0 | 0 | 112.2 | V751 D756 Y757 V761 | V751-M754 HydrophobicContact CG2-SD 4.44Å; V751-M754 PolarHBondContact O-N 2.82Å; M754-D756 VanDerWaalsContact C-N 3.28Å; M754-D756 PolarHBondContact O-N 3.49Å; M754-Y757 PolarHBondContact O-N 3.19Å; M754-Y757 VanDerWaalsContact O-N 3.09Å; M754-V761 HydrophobicContact CE-CG2 4.43Å; M754-V761 HydrophobicContact SD-CG2 3.91Å |
| 755 | P | 80.7 | Confident | 86.6 | Confident | 131 Ų | 131 | 84.1 Ų | 84.1 | 85% | 0.851 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -32.8 | -179.1 | -22.6 | 32.3 | 0 | 0 | 0 | 114.3 | ||
| 756 | D | 85.6 | Confident | 86.5 | Confident | 50 Ų | 50 | 79.7 Ų | 79.7 | 27% | 0.267 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 5.3 | -179.8 | 75.5 | -28.9 | 0 | 0 | 0 | 112.8 | M754 G758 K759 S760 W785 | M754-D756 VanDerWaalsContact C-N 3.28Å; M754-D756 PolarHBondContact O-N 3.49Å; D756-G758 PolarHBondContact O-N 3.18Å; D756-G758 PolarHBondContact OD1-N 2.95Å; D756-G758 VanDerWaalsContact OD1-N 3.08Å; D756-K759 HydrophobicContact CB-CB 4.31Å; D756-K759 PolarHBondContact O-N 3.47Å; D756-K759 WeakPolarHBondContact OD2-CB 3.3Å; D756-K759 PolarHBondContact OD2-N 3.27Å; D756-K759 VanDerWaalsContact OD2-N 3.11Å; D756-S760 WeakPolarHBondContact OD2-CB 3.37Å; D756-S760 PolarHBondContact OD2-N 3.06Å; D756-S760 PolarHBondContact OD2-OG 2.84Å; D756-W785 PolarHBondContact O-NE1 3.26Å |
| 757 | Y | 85.1 | Confident | 86.2 | Confident | 50 Ų | 50 | 73.8 Ų | 73.8 | 20% | 0.196 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 39.5 | -174.8 | -61.8 | -69.4 | 0 | 0 | 0 | 113.2 | V751 M754 W784 Q788 | V751-Y757 WeakPolarHBondContact CG1-O 3.26Å; M754-Y757 PolarHBondContact O-N 3.19Å; M754-Y757 VanDerWaalsContact O-N 3.09Å; Y757-W784 HydrophobicContact CD1-CH2 4.04Å; Y757-W784 HydrophobicContact CG-CH2 4.47Å; Y757-Q788 HydrophobicContact CD1-CB 4.16Å; Y757-Q788 HydrophobicContact CD1-CG 4.13Å; Y757-Q788 HydrophobicContact CD2-CB 3.74Å; Y757-Q788 HydrophobicContact CE1-CB 4.12Å; Y757-Q788 HydrophobicContact CE1-CG 4.24Å; Y757-Q788 HydrophobicContact CE2-CB 3.69Å; Y757-Q788 HydrophobicContact CG-CB 3.97Å; Y757-Q788 HydrophobicContact CG-CG 4.28Å |
| 758 | G | 81.9 | Confident | 86 | Confident | 2 Ų | 2 | 74.5 Ų | 74.5 | 2% | 0.021 | 43% | 0.43 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 22.7 | 172 | 0 | 0 | 0 | 0 | 0 | 114.9 | D756 S760 V761 | D756-G758 PolarHBondContact O-N 3.18Å; D756-G758 PolarHBondContact OD1-N 2.95Å; D756-G758 VanDerWaalsContact OD1-N 3.08Å; G758-S760 PolarHBondContact O-N 2.87Å; G758-V761 PolarHBondContact O-N 3.45Å |
| 759 | K | 83.3 | Confident | 85.7 | Confident | 151 Ų | 151 | 77.2 Ų | 77.2 | 66% | 0.657 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -33.9 | 172.6 | -173.7 | -170.7 | -178.3 | -177.9 | 0 | 111.3 | D756 W785 | D756-K759 HydrophobicContact CB-CB 4.31Å; D756-K759 PolarHBondContact O-N 3.47Å; D756-K759 WeakPolarHBondContact OD2-CB 3.3Å; D756-K759 PolarHBondContact OD2-N 3.27Å; D756-K759 VanDerWaalsContact OD2-N 3.11Å; K759-W785 HydrophobicContact CB-CZ2 4.29Å; K759-W785 HydrophobicContact CD-CH2 4.15Å; K759-W785 HydrophobicContact CD-CZ2 3.69Å; K759-W785 HydrophobicContact CG-CZ2 4.12Å |
| 760 | S | 83.6 | Confident | 85.6 | Confident | 95 Ų | 95 | 74.5 Ų | 74.5 | 66% | 0.664 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -5.5 | 179 | 69.4 | 0 | 0 | 0 | 0 | 114.6 | D756 G758 | D756-S760 WeakPolarHBondContact OD2-CB 3.37Å; D756-S760 PolarHBondContact OD2-N 3.06Å; D756-S760 PolarHBondContact OD2-OG 2.84Å; G758-S760 PolarHBondContact O-N 2.87Å |
| 761 | V | 88 | Confident | 85.6 | Confident | 25 Ų | 25 | 73.6 Ų | 73.6 | 15% | 0.152 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -81.4 | 123.2 | -176.8 | 178.4 | 0 | 0 | 0 | 0 | 110.6 | R747 F748 V751 M754 G758 | R747-V761 HydrophobicContact CB-CG1 4.23Å; F748-V761 HydrophobicContact CD2-CG1 4.27Å; F748-V761 HydrophobicContact CE1-CB 4.49Å; F748-V761 HydrophobicContact CE1-CG1 4.2Å; F748-V761 HydrophobicContact CE2-CG1 3.83Å; F748-V761 HydrophobicContact CZ-CB 4.33Å; F748-V761 HydrophobicContact CZ-CG1 3.76Å; V751-V761 HydrophobicContact CG2-CB 4.47Å; V751-V761 HydrophobicContact CG2-CG2 3.93Å; M754-V761 HydrophobicContact CE-CG2 4.43Å; M754-V761 HydrophobicContact SD-CG2 3.91Å; G758-V761 PolarHBondContact O-N 3.45Å |
| 762 | E | 88.3 | Confident | 85.6 | Confident | 150 Ų | 150 | 80.8 Ų | 80.8 | 70% | 0.701 | 46% | 0.463 | S | S | * | . | P | Polyproline II helix | trans | -81.2 | 127 | 179.6 | -167.3 | -172.9 | -171.7 | 0 | 0 | 111.8 | R747 | R747-E762 VanDerWaalsContact CD-O 3.27Å; R747-E762 WeakPolarHBondContact CD-O 3.23Å; R747-E762 PolarHBondContact NH1-O 3.47Å |
| 763 | W | 88.9 | Confident | 85.7 | Confident | 53 Ų | 53 | 76 Ų | 76 | 20% | 0.201 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 134.2 | 176 | -70.6 | 76.6 | 0 | 0 | 0 | 111.2 | V744 F748 T777 H781 | V744-W763 HydrophobicContact CG1-CZ3 4.3Å; F748-W763 HydrophobicContact CD1-CZ2 4.47Å; F748-W763 AromaticContact CE1-CE2 3.81Å; F748-W763 HydrophobicContact CE1-CH2 4.16Å; F748-W763 AromaticContact CE1-CZ2 3.62Å; F748-W763 HydrophobicContact CE1-CZ2 3.62Å; F748-W763 AromaticContact CE2-CD2 3.93Å; F748-W763 HydrophobicContact CE2-CD2 3.93Å; F748-W763 HydrophobicContact CE2-CE3 4.09Å; F748-W763 HydrophobicContact CE2-CG 4.31Å; F748-W763 HydrophobicContact CE2-CH2 4.46Å; F748-W763 HydrophobicContact CE2-CZ2 4.34Å; F748-W763 HydrophobicContact CE2-CZ3 4.35Å; F748-W763 AromaticContact CZ-CD1 3.9Å; F748-W763 AromaticContact CZ-CD2 3.6Å; F748-W763 HydrophobicContact CZ-CD2 3.6Å; F748-W763 AromaticContact CZ-CE2 3.29Å; F748-W763 HydrophobicContact CZ-CE3 4.13Å; F748-W763 AromaticContact CZ-CG 3.97Å; F748-W763 HydrophobicContact CZ-CG 3.97Å; F748-W763 HydrophobicContact CZ-CH2 4.07Å; F748-W763 AromaticContact CZ-CZ2 3.55Å; F748-W763 HydrophobicContact CZ-CZ2 3.55Å; F748-W763 HydrophobicContact CZ-CZ3 4.34Å; F748-W763 AromaticContact CZ-NE1 3.5Å; W763-T777 HydrophobicContact CH2-CG2 3.81Å; W763-T777 HydrophobicContact CZ3-CG2 3.9Å; W763-H781 HydrophobicContact CH2-CB 4.22Å; W763-H781 HydrophobicContact CZ2-CB 3.68Å; W763-H781 AromaticContact CZ2-CG 3.88Å |
| 764 | P | 89.9 | Confident | 85.9 | Confident | 8 Ų | 8 | 72 Ų | 72 | 5% | 0.052 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 148.2 | 177 | 29.5 | -32.4 | 0 | 0 | 0 | 110.7 | H740 E743 V744 H774 | H740-P764 PolarHBondContact CE1-O 2.53Å; E743-P764 HydrophobicContact CG-CB 3.81Å; E743-P764 HydrophobicContact CG-CG 4.14Å; V744-P764 HydrophobicContact CB-CG 4.38Å; V744-P764 HydrophobicContact CG2-CG 3.41Å; V744-P764 VanDerWaalsContact CG2-CG 3.41Å; P764-H774 PolarHBondContact O-CE1 2.85Å |
| 765 | A | 87.3 | Confident | 86 | Confident | 90 Ų | 90 | 72.5 Ų | 72.5 | 74% | 0.744 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -63 | 124.9 | 179 | 0 | 0 | 0 | 0 | 0 | 111.2 | H740 | H740-A765 PolarHBondContact ND1-O 2.84Š|
| 766 | P | 87.5 | Confident | 86.5 | Confident | 44 Ų | 44 | 70.1 Ų | 70.1 | 29% | 0.286 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -78.2 | 142.7 | -179 | 31.3 | -34.3 | 0 | 0 | 0 | 111.7 | H740 L770 H774 | H740-P766 VanDerWaalsContact CE1-CA 3.43Å; H740-P766 WeakPolarHBondContact CE1-CA 3.29Å; P766-L770 HydrophobicContact CB-CB 4.37Å; P766-H774 HydrophobicContact CB-CB 3.88Å; P766-H774 HydrophobicContact CG-CB 3.87Å |
| 767 | P | 86 | Confident | 86.6 | Confident | 38 Ų | 38 | 69.4 Ų | 69.4 | 25% | 0.247 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -53.2 | 146.3 | 159.8 | -21.8 | 31.6 | 0 | 0 | 0 | 110.3 | H740 A769 L770 | H740-P767 HydrophobicContact CB-CG 4.04Å; P767-A769 PolarHBondContact O-N 2.71Å; P767-L770 HydrophobicContact CG-CD1 4.31Å; P767-L770 WeakPolarHBondContact O-CA 3.42Å; P767-L770 PolarHBondContact O-N 3.05Å |
| 768 | A | 83.9 | Confident | 86.8 | Confident | 97 Ų | 97 | 68 Ų | 68 | 80% | 0.802 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -51.6 | -37.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L770 A771 | A768-L770 PolarHBondContact O-N 3.3Å; A768-A771 PolarHBondContact O-N 3.28Å |
| 769 | A | 83.5 | Confident | 87.2 | Confident | 93 Ų | 93 | 72.3 Ų | 72.3 | 77% | 0.769 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -63.4 | -18.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | P767 | P767-A769 PolarHBondContact O-N 2.71Š|
| 770 | L | 86.7 | Confident | 87.5 | Confident | 22 Ų | 22 | 69.7 Ų | 69.7 | 12% | 0.115 | 42% | 0.418 | C | S | . | . | G | 310 helix | trans | -108.2 | 8.1 | -178.1 | -60.5 | -177.6 | 0 | 0 | 0 | 113.4 | V737 H740 F741 P766 P767 A768 Q772 F773 H774 | V737-L770 HydrophobicContact CG1-CD1 4.13Å; V737-L770 HydrophobicContact CG1-CD2 4.44Å; V737-L770 HydrophobicContact CG2-CD1 4.46Å; H740-L770 HydrophobicContact CB-CD1 4.39Å; F741-L770 HydrophobicContact CE2-CD1 4.09Å; F741-L770 HydrophobicContact CZ-CD1 4.41Å; P766-L770 HydrophobicContact CB-CB 4.37Å; P767-L770 HydrophobicContact CG-CD1 4.31Å; P767-L770 WeakPolarHBondContact O-CA 3.42Å; P767-L770 PolarHBondContact O-N 3.05Å; A768-L770 PolarHBondContact O-N 3.3Å; L770-Q772 VanDerWaalsContact C-N 3.31Å; L770-Q772 PolarHBondContact O-N 2.84Å; L770-F773 PolarHBondContact O-N 3.4Å; L770-F773 VanDerWaalsContact O-N 3.16Å; L770-H774 WeakPolarHBondContact O-CB 3.2Å; L770-H774 PolarHBondContact O-N 3.36Å |
| 771 | A | 86.1 | Confident | 87.7 | Confident | 54 Ų | 54 | 66.6 Ų | 66.6 | 45% | 0.446 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -56.7 | -43.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A768 H774 S775 | A768-A771 PolarHBondContact O-N 3.28Å; A771-H774 PolarHBondContact O-N 2.55Å; A771-S775 PolarHBondContact O-N 2.86Å |
| 772 | Q | 87.7 | Confident | 87.8 | Confident | 158 Ų | 158 | 73.5 Ų | 73.5 | 74% | 0.738 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -65.8 | -43.7 | 177.6 | -171.9 | 179.1 | 11.5 | 0 | 0 | 111.9 | L770 H774 S775 I776 | L770-Q772 VanDerWaalsContact C-N 3.31Å; L770-Q772 PolarHBondContact O-N 2.84Å; Q772-H774 VanDerWaalsContact C-N 3.35Å; Q772-H774 PolarHBondContact O-N 2.98Å; Q772-S775 PolarHBondContact O-N 3.48Å; Q772-I776 HydrophobicContact CG-CD1 4.26Å; Q772-I776 WeakPolarHBondContact O-CG1 3.29Å; Q772-I776 PolarHBondContact O-N 3.22Å |
| 773 | F | 86.6 | Confident | 87.8 | Confident | 95 Ų | 95 | 74.8 Ų | 74.8 | 42% | 0.417 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.8 | -44.6 | 177.1 | 177.1 | -96.2 | 0 | 0 | 0 | 111.4 | F741 L770 S775 I776 T777 | F741-F773 HydrophobicContact CD1-CE1 4.37Å; F741-F773 HydrophobicContact CE1-CD1 4.09Å; F741-F773 AromaticContact CE1-CE1 3.38Å; F741-F773 HydrophobicContact CE1-CE1 3.38Å; F741-F773 AromaticContact CE1-CZ 3.67Å; F741-F773 HydrophobicContact CE1-CZ 3.67Å; F741-F773 HydrophobicContact CZ-CD1 4.26Å; F741-F773 AromaticContact CZ-CE1 3.96Å; F741-F773 HydrophobicContact CZ-CE1 3.96Å; F741-F773 HydrophobicContact CZ-CZ 4.28Å; L770-F773 PolarHBondContact O-N 3.4Å; L770-F773 VanDerWaalsContact O-N 3.16Å; F773-S775 PolarHBondContact O-N 2.74Å; F773-I776 PolarHBondContact O-N 2.93Å; F773-T777 WeakPolarHBondContact CE1-OG1 3.34Å; F773-T777 WeakPolarHBondContact CZ-OG1 3.5Å; F773-T777 PolarHBondContact O-N 3.03Å; F773-T777 PolarHBondContact O-OG1 3.07Å |
| 774 | H | 88.4 | Confident | 87.8 | Confident | 38 Ų | 38 | 76 Ų | 76 | 18% | 0.176 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -58.6 | -44.1 | 178.1 | -179.7 | 95.1 | 0 | 0 | 0 | 112.7 | P764 P766 L770 A771 Q772 I776 T777 T778 | P764-H774 PolarHBondContact O-CE1 2.85Å; P766-H774 HydrophobicContact CB-CB 3.88Å; P766-H774 HydrophobicContact CG-CB 3.87Å; L770-H774 WeakPolarHBondContact O-CB 3.2Å; L770-H774 PolarHBondContact O-N 3.36Å; A771-H774 PolarHBondContact O-N 2.55Å; Q772-H774 VanDerWaalsContact C-N 3.35Å; Q772-H774 PolarHBondContact O-N 2.98Å; H774-I776 PolarHBondContact O-N 2.91Å; H774-T777 PolarHBondContact O-N 2.98Å; H774-T778 WeakPolarHBondContact O-CB 2.92Å; H774-T778 PolarHBondContact O-N 2.91Å; H774-T778 PolarHBondContact O-OG1 3.27Å |
| 775 | S | 87.4 | Confident | 87.8 | Confident | 79 Ų | 79 | 78.8 Ų | 78.8 | 55% | 0.552 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -60.1 | -46.3 | 177.5 | -179.1 | 0 | 0 | 0 | 0 | 112.1 | A771 Q772 F773 T778 M779 | A771-S775 PolarHBondContact O-N 2.86Å; Q772-S775 PolarHBondContact O-N 3.48Å; F773-S775 PolarHBondContact O-N 2.74Å; S775-T778 PolarHBondContact O-N 3.46Å; S775-M779 PolarHBondContact O-N 2.85Å; S775-M779 VanDerWaalsContact O-N 3.12Å |
| 776 | I | 90.1 | Very high | 87.7 | Confident | 80 Ų | 80 | 76.7 Ų | 76.7 | 41% | 0.41 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.5 | -48.2 | 179.1 | -65.7 | 167.5 | 0 | 0 | 0 | 110.6 | Q772 F773 H774 T778 M779 L780 | Q772-I776 HydrophobicContact CG-CD1 4.26Å; Q772-I776 WeakPolarHBondContact O-CG1 3.29Å; Q772-I776 PolarHBondContact O-N 3.22Å; F773-I776 PolarHBondContact O-N 2.93Å; H774-I776 PolarHBondContact O-N 2.91Å; I776-T778 VanDerWaalsContact C-N 3.33Å; I776-T778 PolarHBondContact O-N 2.93Å; I776-M779 PolarHBondContact O-N 3.41Å; I776-L780 HydrophobicContact CG2-CD1 4.11Å; I776-L780 HydrophobicContact CG2-CG 4.48Å; I776-L780 WeakPolarHBondContact O-CG 3.28Å; I776-L780 PolarHBondContact O-N 2.75Å |
| 777 | T | 87.9 | Confident | 87.6 | Confident | 35 Ų | 35 | 83.6 Ų | 83.6 | 22% | 0.215 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -64.7 | -37.8 | -177.4 | -50.9 | 0 | 0 | 0 | 0 | 111.8 | W763 F773 H774 M779 L780 H781 | W763-T777 HydrophobicContact CH2-CG2 3.81Å; W763-T777 HydrophobicContact CZ3-CG2 3.9Å; F773-T777 WeakPolarHBondContact CE1-OG1 3.34Å; F773-T777 WeakPolarHBondContact CZ-OG1 3.5Å; F773-T777 PolarHBondContact O-N 3.03Å; F773-T777 PolarHBondContact O-OG1 3.07Å; H774-T777 PolarHBondContact O-N 2.98Å; T777-M779 VanDerWaalsContact C-N 3.35Å; T777-M779 PolarHBondContact O-N 2.87Å; T777-L780 PolarHBondContact O-N 2.76Å; T777-H781 PolarHBondContact O-N 2.99Å |
| 778 | T | 89 | Confident | 87.6 | Confident | 21 Ų | 21 | 83.4 Ų | 83.4 | 13% | 0.129 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 174.4 | -57 | 0 | 0 | 0 | 0 | 111.6 | H774 S775 I776 H781 R782 | H774-T778 WeakPolarHBondContact O-CB 2.92Å; H774-T778 PolarHBondContact O-N 2.91Å; H774-T778 PolarHBondContact O-OG1 3.27Å; S775-T778 PolarHBondContact O-N 3.46Å; I776-T778 VanDerWaalsContact C-N 3.33Å; I776-T778 PolarHBondContact O-N 2.93Å; T778-H781 PolarHBondContact O-N 3.18Å; T778-R782 WeakPolarHBondContact O-CG 3.44Å; T778-R782 PolarHBondContact O-N 3.1Å; T778-R782 VanDerWaalsContact O-N 3.07Å |
| 779 | M | 90.9 | Very high | 87.5 | Confident | 92 Ų | 92 | 82.4 Ų | 82.4 | 45% | 0.453 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65.2 | -42.6 | 177.1 | 178.7 | -98 | -71.6 | 0 | 0 | 111.9 | S775 I776 T777 H781 R782 R783 | S775-M779 PolarHBondContact O-N 2.85Å; S775-M779 VanDerWaalsContact O-N 3.12Å; I776-M779 PolarHBondContact O-N 3.41Å; T777-M779 VanDerWaalsContact C-N 3.35Å; T777-M779 PolarHBondContact O-N 2.87Å; M779-H781 VanDerWaalsContact C-N 3.34Å; M779-H781 PolarHBondContact O-N 3.02Å; M779-R782 PolarHBondContact O-N 3.31Å; M779-R783 WeakPolarHBondContact O-CG 3.37Å; M779-R783 PolarHBondContact O-N 3.33Å; M779-R783 VanDerWaalsContact O-N 3.15Å |
| 780 | L | 89.3 | Confident | 87.5 | Confident | 97 Ų | 97 | 81.7 Ų | 81.7 | 51% | 0.508 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59.9 | -44.2 | 175 | -70.4 | 173.2 | 0 | 0 | 0 | 111.6 | I776 T777 R782 R783 W784 | I776-L780 HydrophobicContact CG2-CD1 4.11Å; I776-L780 HydrophobicContact CG2-CG 4.48Å; I776-L780 WeakPolarHBondContact O-CG 3.28Å; I776-L780 PolarHBondContact O-N 2.75Å; T777-L780 PolarHBondContact O-N 2.76Å; L780-R782 PolarHBondContact O-N 2.94Å; L780-R783 PolarHBondContact O-N 3.44Å; L780-W784 PolarHBondContact O-N 3.5Å |
| 781 | H | 89 | Confident | 87.2 | Confident | 29 Ų | 29 | 88.3 Ų | 88.3 | 13% | 0.134 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -59.4 | -45.9 | 176.2 | 179.7 | -100.8 | 0 | 0 | 0 | 112.2 | F748 W763 T777 T778 M779 R783 W784 W785 | F748-H781 AromaticContact CE1-NE2 3.94Å; W763-H781 HydrophobicContact CH2-CB 4.22Å; W763-H781 HydrophobicContact CZ2-CB 3.68Å; W763-H781 AromaticContact CZ2-CG 3.88Å; T777-H781 PolarHBondContact O-N 2.99Å; T778-H781 PolarHBondContact O-N 3.18Å; M779-H781 VanDerWaalsContact C-N 3.34Å; M779-H781 PolarHBondContact O-N 3.02Å; H781-R783 VanDerWaalsContact C-N 3.32Å; H781-R783 PolarHBondContact O-N 3.44Å; H781-W784 PolarHBondContact O-N 3.3Å; H781-W785 WeakPolarHBondContact O-CB 3.46Å; H781-W785 PolarHBondContact O-N 3.22Å |
| 782 | R | 88.8 | Confident | 86.9 | Confident | 171 Ų | 171 | 90.6 Ų | 90.6 | 65% | 0.645 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -60.7 | -38.2 | 178.2 | -72.6 | 177.8 | -179.6 | -179.7 | 1 | 113.1 | T778 M779 L780 W785 A786 | T778-R782 WeakPolarHBondContact O-CG 3.44Å; T778-R782 PolarHBondContact O-N 3.1Å; T778-R782 VanDerWaalsContact O-N 3.07Å; M779-R782 PolarHBondContact O-N 3.31Å; L780-R782 PolarHBondContact O-N 2.94Å; R782-W785 WeakPolarHBondContact O-CB 3.31Å; R782-W785 PolarHBondContact O-N 2.83Å; R782-A786 PolarHBondContact O-N 3.45Å |
| 783 | R | 89 | Confident | 86.6 | Confident | 176 Ų | 176 | 85.5 Ų | 85.5 | 66% | 0.664 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -68.3 | -42.8 | 176.6 | -67.9 | 178 | 105.7 | 175 | 6.2 | 111.5 | M779 L780 H781 W785 R787 | M779-R783 WeakPolarHBondContact O-CG 3.37Å; M779-R783 PolarHBondContact O-N 3.33Å; M779-R783 VanDerWaalsContact O-N 3.15Å; L780-R783 PolarHBondContact O-N 3.44Å; H781-R783 VanDerWaalsContact C-N 3.32Å; H781-R783 PolarHBondContact O-N 3.44Å; R783-W785 VanDerWaalsContact C-N 3.33Å; R783-R787 PolarHBondContact O-N 3.41Å; R783-R787 VanDerWaalsContact O-N 3.13Å |
| 784 | W | 89.9 | Confident | 86.4 | Confident | 78 Ų | 78 | 83.8 Ų | 83.8 | 30% | 0.295 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.2 | -43.9 | 174.3 | 172.8 | 86.6 | 0 | 0 | 0 | 111.4 | V751 R752 Y757 L780 H781 R787 Q788 | V751-W784 HydrophobicContact CG1-CH2 4.2Å; V751-W784 HydrophobicContact CG1-CZ3 3.91Å; R752-W784 HydrophobicContact CB-CH2 4.49Å; R752-W784 HydrophobicContact CB-CZ2 4.44Å; R752-W784 HydrophobicContact CG-CZ2 4.21Å; Y757-W784 HydrophobicContact CD1-CH2 4.04Å; Y757-W784 HydrophobicContact CG-CH2 4.47Å; L780-W784 PolarHBondContact O-N 3.5Å; H781-W784 PolarHBondContact O-N 3.3Å; W784-R787 WeakPolarHBondContact O-CB 3.48Å; W784-R787 PolarHBondContact O-N 3.36Å; W784-Q788 HydrophobicContact CD2-CG 4.18Å; W784-Q788 HydrophobicContact CH2-CG 4.04Å; W784-Q788 HydrophobicContact CZ2-CG 3.68Å; W784-Q788 HydrophobicContact CZ3-CG 4.44Å; W784-Q788 PolarHBondContact O-N 2.94Å |
| 785 | W | 88.1 | Confident | 86 | Confident | 68 Ų | 68 | 87.7 Ų | 87.7 | 26% | 0.258 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -57.3 | -52.7 | 176.5 | 177 | 71.8 | 0 | 0 | 0 | 112.2 | D756 K759 H781 R782 R783 R787 Q788 I789 | D756-W785 PolarHBondContact O-NE1 3.26Å; K759-W785 HydrophobicContact CB-CZ2 4.29Å; K759-W785 HydrophobicContact CD-CH2 4.15Å; K759-W785 HydrophobicContact CD-CZ2 3.69Å; K759-W785 HydrophobicContact CG-CZ2 4.12Å; H781-W785 WeakPolarHBondContact O-CB 3.46Å; H781-W785 PolarHBondContact O-N 3.22Å; R782-W785 WeakPolarHBondContact O-CB 3.31Å; R782-W785 PolarHBondContact O-N 2.83Å; R783-W785 VanDerWaalsContact C-N 3.33Å; W785-R787 VanDerWaalsContact C-N 3.25Å; W785-R787 PolarHBondContact O-N 3.01Å; W785-Q788 PolarHBondContact O-N 3.02Å; W785-I789 HydrophobicContact CD2-CD1 4.1Å; W785-I789 HydrophobicContact CH2-CD1 4.04Å; W785-I789 HydrophobicContact CZ2-CD1 3.51Å; W785-I789 PolarHBondContact O-N 2.9Å |
| 786 | A | 85.5 | Confident | 85.5 | Confident | 46 Ų | 46 | 88.2 Ų | 88.2 | 38% | 0.38 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -57.5 | -38.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | R782 I789 V790 | R782-A786 PolarHBondContact O-N 3.45Å; A786-I789 PolarHBondContact O-N 3.48Å; A786-V790 WeakPolarHBondContact O-CG2 3.45Å; A786-V790 PolarHBondContact O-N 3.4Å; A786-V790 VanDerWaalsContact O-N 3.09Å |
| 787 | R | 85.4 | Confident | 85.1 | Confident | 189 Ų | 189 | 87.9 Ų | 87.9 | 71% | 0.713 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -64.4 | -39 | 176.2 | -178.3 | 177.3 | 179 | 164.5 | 0.4 | 112.6 | R783 W784 W785 I789 K791 | R783-R787 PolarHBondContact O-N 3.41Å; R783-R787 VanDerWaalsContact O-N 3.13Å; W784-R787 WeakPolarHBondContact O-CB 3.48Å; W784-R787 PolarHBondContact O-N 3.36Å; W785-R787 VanDerWaalsContact C-N 3.25Å; W785-R787 PolarHBondContact O-N 3.01Å; R787-I789 VanDerWaalsContact C-N 3.31Å; R787-I789 PolarHBondContact O-N 3.28Å; R787-K791 WeakPolarHBondContact O-CB 3.24Å; R787-K791 PolarHBondContact O-N 3.43Å; R787-K791 VanDerWaalsContact O-N 3.11Å |
| 788 | Q | 85.5 | Confident | 84.9 | Confident | 34 Ų | 34 | 88 Ų | 88 | 16% | 0.159 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -63.7 | -39.5 | 177.8 | -64.5 | -46.7 | -55.6 | 0 | 0 | 111.5 | Y757 W784 W785 N792 | Y757-Q788 HydrophobicContact CD1-CB 4.16Å; Y757-Q788 HydrophobicContact CD1-CG 4.13Å; Y757-Q788 HydrophobicContact CD2-CB 3.74Å; Y757-Q788 HydrophobicContact CE1-CB 4.12Å; Y757-Q788 HydrophobicContact CE1-CG 4.24Å; Y757-Q788 HydrophobicContact CE2-CB 3.69Å; Y757-Q788 HydrophobicContact CG-CB 3.97Å; Y757-Q788 HydrophobicContact CG-CG 4.28Å; W784-Q788 HydrophobicContact CD2-CG 4.18Å; W784-Q788 HydrophobicContact CH2-CG 4.04Å; W784-Q788 HydrophobicContact CZ2-CG 3.68Å; W784-Q788 HydrophobicContact CZ3-CG 4.44Å; W784-Q788 PolarHBondContact O-N 2.94Å; W785-Q788 PolarHBondContact O-N 3.02Å; Q788-N792 PolarHBondContact O-ND2 3.24Å |
| 789 | I | 82.9 | Confident | 84.5 | Confident | 76 Ų | 76 | 90.4 Ų | 90.4 | 39% | 0.39 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.9 | -52.3 | 177.4 | -64.1 | 173.1 | 0 | 0 | 0 | 110.9 | W785 A786 R787 K791 N792 | W785-I789 HydrophobicContact CD2-CD1 4.1Å; W785-I789 HydrophobicContact CH2-CD1 4.04Å; W785-I789 HydrophobicContact CZ2-CD1 3.51Å; W785-I789 PolarHBondContact O-N 2.9Å; A786-I789 PolarHBondContact O-N 3.48Å; R787-I789 VanDerWaalsContact C-N 3.31Å; R787-I789 PolarHBondContact O-N 3.28Å; I789-K791 VanDerWaalsContact C-N 3.26Å; I789-K791 PolarHBondContact O-N 3.16Å; I789-N792 PolarHBondContact O-N 3.32Å |
| 790 | V | 82.6 | Confident | 84.2 | Confident | 78 Ų | 78 | 88.5 Ų | 88.5 | 47% | 0.473 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.1 | -32.8 | -175.7 | 173.7 | 0 | 0 | 0 | 0 | 112.1 | A786 N792 I793 M798 | A786-V790 WeakPolarHBondContact O-CG2 3.45Å; A786-V790 PolarHBondContact O-N 3.4Å; A786-V790 VanDerWaalsContact O-N 3.09Å; V790-N792 PolarHBondContact O-N 3.23Å; V790-I793 PolarHBondContact O-N 3.43Å; V790-M798 HydrophobicContact CG1-CE 3.97Å |
| 791 | K | 81.8 | Confident | 84 | Confident | 160 Ų | 160 | 86.3 Ų | 86.3 | 70% | 0.696 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -59.2 | -28.6 | 179.9 | -175.9 | -174.1 | 172.8 | -165.9 | 0 | 113.1 | R787 I789 | R787-K791 WeakPolarHBondContact O-CB 3.24Å; R787-K791 PolarHBondContact O-N 3.43Å; R787-K791 VanDerWaalsContact O-N 3.11Å; I789-K791 VanDerWaalsContact C-N 3.26Å; I789-K791 PolarHBondContact O-N 3.16Å |
| 792 | N | 79.2 | Confident | 83.8 | Confident | 103 Ų | 103 | 90.7 Ų | 90.7 | 55% | 0.551 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 0.3 | -174.1 | -63.3 | -22.1 | 0 | 0 | 0 | 113.7 | Q788 I789 V790 | Q788-N792 PolarHBondContact O-ND2 3.24Å; I789-N792 PolarHBondContact O-N 3.32Å; V790-N792 PolarHBondContact O-N 3.23Å |
| 793 | I | 81 | Confident | 83.7 | Confident | 50 Ų | 50 | 82.5 Ų | 82.5 | 26% | 0.256 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -86.8 | 125.8 | 178.6 | -61.3 | 172.8 | 0 | 0 | 0 | 109.5 | V790 D797 M798 V801 | V790-I793 PolarHBondContact O-N 3.43Å; I793-D797 HydrophobicContact CG2-CB 4.46Å; I793-M798 HydrophobicContact CB-CE 3.56Å; I793-M798 HydrophobicContact CB-SD 4.49Å; I793-M798 HydrophobicContact CD1-CE 4.47Å; I793-M798 HydrophobicContact CG2-CE 3.72Å; I793-M798 HydrophobicContact CG2-CG 4.29Å; I793-M798 HydrophobicContact CG2-SD 4.03Å; I793-V801 HydrophobicContact CD1-CG1 4.49Å; I793-V801 HydrophobicContact CG2-CG2 4.09Å |
| 794 | P | 82.3 | Confident | 83.7 | Confident | 60 Ų | 60 | 76 Ų | 76 | 39% | 0.39 | 39% | 0.385 | S | S | . | . | trans | -57.6 | 144.3 | 178 | -25.8 | 34.9 | 0 | 0 | 0 | 113.2 | S796 D797 M798 | P794-S796 PolarHBondContact O-N 2.9Å; P794-D797 PolarHBondContact O-N 2.81Å; P794-D797 VanDerWaalsContact O-N 3.14Å; P794-M798 PolarHBondContact O-N 2.92Å | ||
| 795 | P | 79.4 | Confident | 83.5 | Confident | 120 Ų | 120 | 76 Ų | 76 | 78% | 0.779 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -28.1 | 176.6 | -26.8 | 35.3 | 0 | 0 | 0 | 114.8 | D797 | P795-D797 VanDerWaalsContact C-N 3.31Å; P795-D797 PolarHBondContact O-N 3.14Å |
| 796 | S | 78.8 | Confident | 83.5 | Confident | 89 Ų | 89 | 73.3 Ų | 73.3 | 62% | 0.622 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -39.9 | 176 | 50.9 | 0 | 0 | 0 | 0 | 112.3 | P794 | P794-S796 PolarHBondContact O-N 2.9Š|
| 797 | D | 81.8 | Confident | 83.6 | Confident | 74 Ų | 74 | 71.1 Ų | 71.1 | 40% | 0.396 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -12.9 | -169.9 | -53.5 | -7.5 | 0 | 0 | 0 | 111.1 | I793 P794 P795 L799 E800 V801 | I793-D797 HydrophobicContact CG2-CB 4.46Å; P794-D797 PolarHBondContact O-N 2.81Å; P794-D797 VanDerWaalsContact O-N 3.14Å; P795-D797 VanDerWaalsContact C-N 3.31Å; P795-D797 PolarHBondContact O-N 3.14Å; D797-L799 PolarHBondContact O-N 3.25Å; D797-E800 WeakPolarHBondContact O-CB 3.49Å; D797-E800 PolarHBondContact O-N 3.17Å; D797-V801 VanDerWaalsContact O-CG2 3.29Å; D797-V801 WeakPolarHBondContact O-CG2 3.4Å; D797-V801 PolarHBondContact O-N 3.3Å |
| 798 | M | 82.4 | Confident | 83.7 | Confident | 38 Ų | 38 | 66.1 Ų | 66.1 | 19% | 0.187 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.8 | -32.4 | 179.4 | -80.3 | -68.4 | -179.2 | 0 | 0 | 113.1 | V790 I793 P794 E800 R802 | V790-M798 HydrophobicContact CG1-CE 3.97Å; I793-M798 HydrophobicContact CB-CE 3.56Å; I793-M798 HydrophobicContact CB-SD 4.49Å; I793-M798 HydrophobicContact CD1-CE 4.47Å; I793-M798 HydrophobicContact CG2-CE 3.72Å; I793-M798 HydrophobicContact CG2-CG 4.29Å; I793-M798 HydrophobicContact CG2-SD 4.03Å; P794-M798 PolarHBondContact O-N 2.92Å; M798-E800 VanDerWaalsContact C-N 3.33Å; M798-R802 VanDerWaalsContact O-CB 3.29Å; M798-R802 WeakPolarHBondContact O-CB 3.29Å; M798-R802 WeakPolarHBondContact O-CD 3.37Å; M798-R802 WeakPolarHBondContact O-CG 3.34Å; M798-R802 PolarHBondContact O-N 2.89Å |
| 799 | L | 81 | Confident | 83.7 | Confident | 71 Ų | 71 | 70 Ų | 70 | 37% | 0.372 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -68 | -35.8 | 176.6 | -68.9 | 178.4 | 0 | 0 | 0 | 111.8 | D797 A803 R826 | D797-L799 PolarHBondContact O-N 3.25Å; L799-A803 WeakPolarHBondContact O-CB 3.44Å; L799-A803 PolarHBondContact O-N 3.14Å; L799-R826 PolarHBondContact O-NH2 3.33Å |
| 800 | E | 84.5 | Confident | 83.9 | Confident | 51 Ų | 51 | 67.9 Ų | 67.9 | 24% | 0.238 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -73.6 | -47.4 | 174.5 | -176.7 | -179.2 | 156.7 | 0 | 0 | 110.7 | D797 M798 R802 A803 K804 W824 | D797-E800 WeakPolarHBondContact O-CB 3.49Å; D797-E800 PolarHBondContact O-N 3.17Å; M798-E800 VanDerWaalsContact C-N 3.33Å; E800-R802 VanDerWaalsContact C-N 3.28Å; E800-R802 PolarHBondContact O-N 3.43Å; E800-A803 CarbonylContact O-C 3.6Å; E800-A803 PolarHBondContact O-N 2.92Å; E800-A803 VanDerWaalsContact O-N 3.12Å; E800-K804 HydrophobicContact CG-CD 4.08Å; E800-K804 HydrophobicContact CG-CG 4.36Å; E800-K804 WeakPolarHBondContact O-CB 3Å; E800-K804 WeakPolarHBondContact O-CG 3.32Å; E800-K804 PolarHBondContact O-N 2.75Å; E800-K804 WeakPolarHBondContact OE1-CE 3.5Å; E800-K804 IonicContact OE1-NZ 3.86Å; E800-K804 PolarHBondContact OE1-NZ 2.91Å; E800-W824 HydrophobicContact CG-CB 4.43Å |
| 801 | V | 84.9 | Confident | 84 | Confident | 51 Ų | 51 | 64.2 Ų | 64.2 | 31% | 0.309 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -57.3 | -42.9 | 178.2 | 173.9 | 0 | 0 | 0 | 0 | 110.6 | I793 D797 K804 V805 | I793-V801 HydrophobicContact CD1-CG1 4.49Å; I793-V801 HydrophobicContact CG2-CG2 4.09Å; D797-V801 VanDerWaalsContact O-CG2 3.29Å; D797-V801 WeakPolarHBondContact O-CG2 3.4Å; D797-V801 PolarHBondContact O-N 3.3Å; V801-K804 PolarHBondContact O-N 2.78Å; V801-V805 HydrophobicContact CG1-CG2 4.41Å; V801-V805 WeakPolarHBondContact O-CB 3.34Å; V801-V805 WeakPolarHBondContact O-CG2 2.85Å; V801-V805 PolarHBondContact O-N 2.82Å |
| 802 | R | 85.7 | Confident | 83.5 | Confident | 121 Ų | 121 | 60.3 Ų | 60.3 | 46% | 0.457 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.4 | -45.7 | 175.6 | -74.4 | 171 | -172.9 | 177.3 | 2.8 | 112.4 | M798 E800 K804 V805 A806 | M798-R802 VanDerWaalsContact O-CB 3.29Å; M798-R802 WeakPolarHBondContact O-CB 3.29Å; M798-R802 WeakPolarHBondContact O-CD 3.37Å; M798-R802 WeakPolarHBondContact O-CG 3.34Å; M798-R802 PolarHBondContact O-N 2.89Å; E800-R802 VanDerWaalsContact C-N 3.28Å; E800-R802 PolarHBondContact O-N 3.43Å; R802-K804 VanDerWaalsContact C-N 3.29Å; R802-K804 PolarHBondContact O-N 3.22Å; R802-V805 PolarHBondContact O-N 2.82Å; R802-A806 WeakPolarHBondContact O-CB 3.43Å; R802-A806 PolarHBondContact O-N 3.31Å |
| 803 | A | 85.9 | Confident | 83.1 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.5 | -37.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L799 E800 A806 A807 W824 G949 D953 | L799-A803 WeakPolarHBondContact O-CB 3.44Å; L799-A803 PolarHBondContact O-N 3.14Å; E800-A803 CarbonylContact O-C 3.6Å; E800-A803 PolarHBondContact O-N 2.92Å; E800-A803 VanDerWaalsContact O-N 3.12Å; A803-A806 PolarHBondContact O-N 2.89Å; A803-A807 WeakPolarHBondContact O-CB 3.46Å; A803-A807 PolarHBondContact O-N 3.12Å; A803-W824 HydrophobicContact CB-CE3 3.89Å; A803-W824 HydrophobicContact CB-CZ3 3.66Å; A803-G949 WeakPolarHBondContact O-CA 3.23Å; A803-D953 HydrophobicContact CB-CB 4.39Å |
| 804 | K | 88.5 | Confident | 83.1 | Confident | 38 Ų | 38 | 62.7 Ų | 62.7 | 17% | 0.165 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -68 | -38.7 | 173 | -74.1 | -176.9 | 174.9 | 179.5 | 0 | 112.4 | E800 V801 R802 A807 L808 W818 V820 R822 W824 | E800-K804 HydrophobicContact CG-CD 4.08Å; E800-K804 HydrophobicContact CG-CG 4.36Å; E800-K804 WeakPolarHBondContact O-CB 3Å; E800-K804 WeakPolarHBondContact O-CG 3.32Å; E800-K804 PolarHBondContact O-N 2.75Å; E800-K804 WeakPolarHBondContact OE1-CE 3.5Å; E800-K804 IonicContact OE1-NZ 3.86Å; E800-K804 PolarHBondContact OE1-NZ 2.91Å; V801-K804 PolarHBondContact O-N 2.78Å; R802-K804 VanDerWaalsContact C-N 3.29Å; R802-K804 PolarHBondContact O-N 3.22Å; K804-A807 PolarHBondContact O-N 2.92Å; K804-L808 WeakPolarHBondContact O-CB 3.23Å; K804-L808 PolarHBondContact O-N 3.02Å; K804-W818 HydrophobicContact CB-CH2 4.28Å; K804-W818 HydrophobicContact CB-CZ3 4.35Å; K804-W818 HydrophobicContact CG-CZ3 4.27Å; K804-W818 WeakPolarHBondContact O-CH2 3.3Å; K804-V820 HydrophobicContact CD-CG2 4.31Å; K804-V820 VanDerWaalsContact CE-O 3.3Å; K804-V820 WeakPolarHBondContact CE-O 3.45Å; K804-V820 PolarHBondContact NZ-O 3.4Å; K804-R822 WeakPolarHBondContact CE-O 3.47Å; K804-R822 PolarHBondContact NZ-O 2.76Å; K804-W824 HydrophobicContact CG-CD2 4.27Å; K804-W824 HydrophobicContact CG-CE3 4.24Å; K804-W824 HydrophobicContact CG-CH2 3.96Å; K804-W824 HydrophobicContact CG-CZ2 3.96Å; K804-W824 HydrophobicContact CG-CZ3 4.08Å |
| 805 | V | 86.9 | Confident | 83.2 | Confident | 80 Ų | 80 | 60 Ų | 60 | 49% | 0.485 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.6 | -40.4 | 173.4 | 169.1 | 0 | 0 | 0 | 0 | 110.7 | V801 R802 L808 T809 | V801-V805 HydrophobicContact CG1-CG2 4.41Å; V801-V805 WeakPolarHBondContact O-CB 3.34Å; V801-V805 WeakPolarHBondContact O-CG2 2.85Å; V801-V805 PolarHBondContact O-N 2.82Å; R802-V805 PolarHBondContact O-N 2.82Å; V805-L808 PolarHBondContact O-N 2.7Å; V805-T809 WeakPolarHBondContact O-CB 3.5Å; V805-T809 PolarHBondContact O-N 2.93Å; V805-T809 PolarHBondContact O-OG1 3.47Å |
| 806 | A | 87.7 | Confident | 83.1 | Confident | 10 Ų | 10 | 64.5 Ų | 64.5 | 8% | 0.083 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.4 | -44 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | R802 A803 T809 S810 V952 D953 | R802-A806 WeakPolarHBondContact O-CB 3.43Å; R802-A806 PolarHBondContact O-N 3.31Å; A803-A806 PolarHBondContact O-N 2.89Å; A806-T809 PolarHBondContact O-N 3.08Å; A806-S810 WeakPolarHBondContact O-CB 3.41Å; A806-S810 PolarHBondContact O-N 3.14Å; A806-S810 PolarHBondContact O-OG 3.08Å; A806-V952 HydrophobicContact CB-CB 4.45Å; A806-V952 HydrophobicContact CB-CG1 4.13Å; A806-D953 HydrophobicContact CB-CB 4.23Å |
| 807 | A | 87.9 | Confident | 83.2 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66.4 | -42.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A803 K804 T809 S810 L811 W818 W824 | A803-A807 WeakPolarHBondContact O-CB 3.46Å; A803-A807 PolarHBondContact O-N 3.12Å; K804-A807 PolarHBondContact O-N 2.92Å; A807-T809 VanDerWaalsContact C-N 3.29Å; A807-T809 PolarHBondContact O-N 2.89Å; A807-S810 CarbonylContact O-C 3.59Å; A807-S810 PolarHBondContact O-N 3.26Å; A807-S810 VanDerWaalsContact O-N 3.1Å; A807-L811 HydrophobicContact CB-CD1 4.3Å; A807-L811 WeakPolarHBondContact O-CA 3.21Å; A807-L811 VanDerWaalsContact O-CB 3.23Å; A807-L811 WeakPolarHBondContact O-CB 3.19Å; A807-L811 WeakPolarHBondContact O-CG 3.41Å; A807-L811 PolarHBondContact O-N 3.23Å; A807-W818 HydrophobicContact CB-CE3 3.76Å; A807-W818 HydrophobicContact CB-CH2 4.2Å; A807-W818 HydrophobicContact CB-CZ3 3.58Å; A807-W824 HydrophobicContact CB-CH2 3.59Å; A807-W824 HydrophobicContact CB-CZ3 4.4Å |
| 808 | L | 86.9 | Confident | 83.4 | Confident | 84 Ų | 84 | 62.2 Ų | 62.2 | 44% | 0.44 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.5 | -45 | 173.7 | -177.9 | 73.1 | 0 | 0 | 0 | 109.8 | K804 V805 S810 S812 W818 | K804-L808 WeakPolarHBondContact O-CB 3.23Å; K804-L808 PolarHBondContact O-N 3.02Å; V805-L808 PolarHBondContact O-N 2.7Å; L808-S810 VanDerWaalsContact C-N 3.25Å; L808-S810 PolarHBondContact O-N 2.64Å; L808-S812 WeakPolarHBondContact O-CA 3.37Å; L808-S812 WeakPolarHBondContact O-CB 3.38Å; L808-S812 PolarHBondContact O-N 3.14Å; L808-W818 HydrophobicContact CB-CH2 4.18Å; L808-W818 HydrophobicContact CB-CZ2 4.03Å; L808-W818 HydrophobicContact CD1-CZ2 3.94Å |
| 809 | T | 85.6 | Confident | 83.2 | Confident | 116 Ų | 116 | 60.7 Ų | 60.7 | 71% | 0.712 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -64.4 | -32.8 | 178.3 | -52.1 | 0 | 0 | 0 | 0 | 112 | V805 A806 A807 | V805-T809 WeakPolarHBondContact O-CB 3.5Å; V805-T809 PolarHBondContact O-N 2.93Å; V805-T809 PolarHBondContact O-OG1 3.47Å; A806-T809 PolarHBondContact O-N 3.08Å; A807-T809 VanDerWaalsContact C-N 3.29Å; A807-T809 PolarHBondContact O-N 2.89Å |
| 810 | S | 86.3 | Confident | 83.3 | Confident | 32 Ų | 32 | 60.8 Ų | 60.8 | 22% | 0.224 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -93.2 | -22.2 | -174.5 | -50.7 | 0 | 0 | 0 | 0 | 114.9 | A806 A807 L808 | A806-S810 WeakPolarHBondContact O-CB 3.41Å; A806-S810 PolarHBondContact O-N 3.14Å; A806-S810 PolarHBondContact O-OG 3.08Å; A807-S810 CarbonylContact O-C 3.59Å; A807-S810 PolarHBondContact O-N 3.26Å; A807-S810 VanDerWaalsContact O-N 3.1Å; L808-S810 VanDerWaalsContact C-N 3.25Å; L808-S810 PolarHBondContact O-N 2.64Å |
| 811 | L | 85.4 | Confident | 83 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.005 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -121.6 | -17.6 | -172.5 | -59.3 | 175.8 | 0 | 0 | 0 | 113.4 | A807 G813 E814 R815 W818 V910 V948 V965 V967 | A807-L811 HydrophobicContact CB-CD1 4.3Å; A807-L811 WeakPolarHBondContact O-CA 3.21Å; A807-L811 VanDerWaalsContact O-CB 3.23Å; A807-L811 WeakPolarHBondContact O-CB 3.19Å; A807-L811 WeakPolarHBondContact O-CG 3.41Å; A807-L811 PolarHBondContact O-N 3.23Å; L811-G813 PolarHBondContact O-N 3.46Å; L811-E814 PolarHBondContact O-N 2.85Å; L811-E814 VanDerWaalsContact O-N 3.08Å; L811-R815 PolarHBondContact O-N 3.35Å; L811-W818 HydrophobicContact CB-CG 4.48Å; L811-W818 HydrophobicContact CD1-CB 3.68Å; L811-W818 HydrophobicContact CD1-CD2 4.39Å; L811-W818 HydrophobicContact CD1-CG 3.98Å; L811-V910 HydrophobicContact CD2-CG2 4.35Å; L811-V948 HydrophobicContact CD1-CB 4.33Å; L811-V948 HydrophobicContact CD1-CG1 4.33Å; L811-V948 HydrophobicContact CD2-CG1 4.25Å; L811-V948 HydrophobicContact CG-CG1 4.28Å; L811-V965 HydrophobicContact CD2-CG1 4.14Å; L811-V967 HydrophobicContact CD2-CG2 3.88Å |
| 812 | S | 71.5 | Confident | 82.9 | Confident | 77 Ų | 77 | 62.6 Ų | 62.6 | 54% | 0.538 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | 125.5 | -172.7 | 179.5 | 0 | 0 | 0 | 0 | 111.8 | L808 E814 | L808-S812 WeakPolarHBondContact O-CA 3.37Å; L808-S812 WeakPolarHBondContact O-CB 3.38Å; L808-S812 PolarHBondContact O-N 3.14Å; S812-E814 VanDerWaalsContact C-N 3.32Å |
| 813 | G | 71 | Confident | 82.7 | Confident | 83 Ų | 83 | 59.6 Ų | 59.6 | 86% | 0.856 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.1 | -23.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L811 | L811-G813 PolarHBondContact O-N 3.46Š|
| 814 | E | 81.4 | Confident | 82.7 | Confident | 120 Ų | 120 | 60.4 Ų | 60.4 | 56% | 0.561 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | -30.9 | -175.1 | -61.1 | -165.4 | 164.2 | 0 | 0 | 114 | L811 S812 S912 V967 | L811-E814 PolarHBondContact O-N 2.85Å; L811-E814 VanDerWaalsContact O-N 3.08Å; S812-E814 VanDerWaalsContact C-N 3.32Å; E814-S912 VanDerWaalsContact O-CB 3.26Å; E814-S912 WeakPolarHBondContact O-CB 3.45Å; E814-V967 HydrophobicContact CB-CB 3.94Å; E814-V967 HydrophobicContact CB-CG1 4.04Å; E814-V967 HydrophobicContact CB-CG2 4.08Å; E814-V967 WeakPolarHBondContact OE2-CB 3.38Å |
| 815 | R | 84.3 | Confident | 82.4 | Confident | 4 Ų | 4 | 63.7 Ų | 63.7 | 2% | 0.015 | 38% | 0.384 | C | S | . | . | trans | -123.4 | 120.5 | 172 | -169.6 | 174.6 | 178.8 | 122.4 | -5.9 | 109.9 | L811 D817 T911 G913 D915 D942 V967 | L811-R815 PolarHBondContact O-N 3.35Å; R815-D817 PolarHBondContact NE-O 3.43Å; R815-T911 PolarHBondContact NH1-O 2.79Å; R815-T911 PolarHBondContact NH1-OG1 3.33Å; R815-G913 PolarHBondContact NE-O 3.25Å; R815-G913 PolarHBondContact NH1-O 2.98Å; R815-G913 PolarHBondContact NH2-O 2.97Å; R815-D915 PolarHBondContact NH2-O 2.52Å; R815-D942 IonicContact CZ-OD2 2.78Å; R815-D942 IonicContact NE-OD2 3.23Å; R815-D942 IonicContact NH2-OD1 2.75Å; R815-D942 IonicContact NH2-OD2 3.35Å; R815-D942 PolarHBondContact NH2-OD2 3.09Å; R815-V967 HydrophobicContact CB-CG1 4.47Å | ||
| 816 | K | 76.9 | Confident | 82.3 | Confident | 214 Ų | 214 | 62.1 Ų | 62.1 | 93% | 0.93 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -67.8 | -44.1 | -171.6 | -72.3 | -174.2 | 179.9 | -179.6 | 0 | 113.7 | ||
| 817 | D | 80.9 | Confident | 82.2 | Confident | 98 Ų | 98 | 63.2 Ų | 63.2 | 52% | 0.524 | 37% | 0.374 | S | S | . | . | trans | -121.6 | 122.7 | 175.8 | -173.4 | 10.1 | 0 | 0 | 0 | 109.7 | R815 G819 | R815-D817 PolarHBondContact NE-O 3.43Å; D817-G819 PolarHBondContact OD1-N 2.84Å | ||
| 818 | W | 84.8 | Confident | 82.1 | Confident | 17 Ų | 17 | 63.5 Ų | 63.5 | 6% | 0.064 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -132.5 | 17.3 | 177.5 | 55.3 | -91 | 0 | 0 | 0 | 110.8 | K804 A807 L808 L811 V820 W824 G945 | K804-W818 HydrophobicContact CB-CH2 4.28Å; K804-W818 HydrophobicContact CB-CZ3 4.35Å; K804-W818 HydrophobicContact CG-CZ3 4.27Å; K804-W818 WeakPolarHBondContact O-CH2 3.3Å; A807-W818 HydrophobicContact CB-CE3 3.76Å; A807-W818 HydrophobicContact CB-CH2 4.2Å; A807-W818 HydrophobicContact CB-CZ3 3.58Å; L808-W818 HydrophobicContact CB-CH2 4.18Å; L808-W818 HydrophobicContact CB-CZ2 4.03Å; L808-W818 HydrophobicContact CD1-CZ2 3.94Å; L811-W818 HydrophobicContact CB-CG 4.48Å; L811-W818 HydrophobicContact CD1-CB 3.68Å; L811-W818 HydrophobicContact CD1-CD2 4.39Å; L811-W818 HydrophobicContact CD1-CG 3.98Å; W818-V820 HydrophobicContact CD2-CB 4.21Å; W818-V820 HydrophobicContact CE3-CB 4.11Å; W818-V820 HydrophobicContact CH2-CB 3.47Å; W818-V820 VanDerWaalsContact CH2-CB 3.47Å; W818-V820 HydrophobicContact CH2-CG2 3.31Å; W818-V820 HydrophobicContact CZ2-CB 3.57Å; W818-V820 HydrophobicContact CZ2-CG1 4.35Å; W818-V820 HydrophobicContact CZ2-CG2 3.65Å; W818-V820 HydrophobicContact CZ3-CB 3.74Å; W818-V820 HydrophobicContact CZ3-CG2 3.92Å; W818-W824 AromaticContact CE3-CH2 3.96Å; W818-W824 HydrophobicContact CE3-CH2 3.96Å; W818-W824 AromaticContact CE3-CZ2 3.58Å; W818-W824 HydrophobicContact CE3-CZ2 3.58Å; W818-W824 AromaticContact CZ3-CH2 3.64Å; W818-W824 HydrophobicContact CZ3-CH2 3.64Å; W818-W824 AromaticContact CZ3-CZ2 3.43Å; W818-W824 HydrophobicContact CZ3-CZ2 3.43Å; W818-W824 VanDerWaalsContact CZ3-CZ2 3.43Å; W818-G945 WeakPolarHBondContact O-CA 2.78Å |
| 819 | G | 79.1 | Confident | 82 | Confident | 7 Ų | 7 | 59.5 Ų | 59.5 | 7% | 0.072 | 35% | 0.354 | C | S | . | . | S | Bend | trans | 75.9 | 31.6 | 174 | 0 | 0 | 0 | 0 | 0 | 115.1 | D817 G821 R822 W824 | D817-G819 PolarHBondContact OD1-N 2.84Å; G819-G821 VanDerWaalsContact C-N 3.34Å; G819-G821 PolarHBondContact O-N 3.48Å; G819-R822 VanDerWaalsContact O-CG 3.31Å; G819-R822 WeakPolarHBondContact O-CG 3.34Å; G819-W824 PolarHBondContact O-NE1 3.36Å |
| 820 | V | 82.8 | Confident | 81.9 | Confident | 73 Ų | 73 | 55.9 Ų | 55.9 | 44% | 0.442 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -32.7 | 179.9 | 67.8 | 0 | 0 | 0 | 0 | 113.8 | K804 W818 R822 | K804-V820 HydrophobicContact CD-CG2 4.31Å; K804-V820 VanDerWaalsContact CE-O 3.3Å; K804-V820 WeakPolarHBondContact CE-O 3.45Å; K804-V820 PolarHBondContact NZ-O 3.4Å; W818-V820 HydrophobicContact CD2-CB 4.21Å; W818-V820 HydrophobicContact CE3-CB 4.11Å; W818-V820 HydrophobicContact CH2-CB 3.47Å; W818-V820 VanDerWaalsContact CH2-CB 3.47Å; W818-V820 HydrophobicContact CH2-CG2 3.31Å; W818-V820 HydrophobicContact CZ2-CB 3.57Å; W818-V820 HydrophobicContact CZ2-CG1 4.35Å; W818-V820 HydrophobicContact CZ2-CG2 3.65Å; W818-V820 HydrophobicContact CZ3-CB 3.74Å; W818-V820 HydrophobicContact CZ3-CG2 3.92Å; V820-R822 VanDerWaalsContact C-N 3.28Å; V820-R822 PolarHBondContact O-N 2.84Å |
| 821 | G | 78.8 | Confident | 81.7 | Confident | 85 Ų | 85 | 56.2 Ų | 56.2 | 88% | 0.876 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -5.1 | -175 | 0 | 0 | 0 | 0 | 0 | 115 | G819 | G819-G821 VanDerWaalsContact C-N 3.34Å; G819-G821 PolarHBondContact O-N 3.48Å |
| 822 | R | 82.7 | Confident | 81.1 | Confident | 55 Ų | 55 | 59.2 Ų | 59.2 | 21% | 0.208 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -111.6 | 164.5 | 179.8 | 67.8 | 172 | -172.5 | 93.6 | -0.9 | 112.2 | K804 G819 V820 Y828 D942 E946 | K804-R822 WeakPolarHBondContact CE-O 3.47Å; K804-R822 PolarHBondContact NZ-O 2.76Å; G819-R822 VanDerWaalsContact O-CG 3.31Å; G819-R822 WeakPolarHBondContact O-CG 3.34Å; V820-R822 VanDerWaalsContact C-N 3.28Å; V820-R822 PolarHBondContact O-N 2.84Å; R822-Y828 PolarHBondContact NH1-OH 3.13Å; R822-Y828 PolarHBondContact NH2-OH 3.43Å; R822-D942 PolarHBondContact NH2-O 3.28Å; R822-E946 IonicContact CZ-OE2 2.71Å; R822-E946 IonicContact NH1-OE2 2.87Å; R822-E946 PolarHBondContact NH1-OE2 3.21Å; R822-E946 VanDerWaalsContact NH1-OE2 3.12Å; R822-E946 IonicContact NH2-OE2 3.49Å; R822-E946 PolarHBondContact NH2-OE2 3.22Å |
| 823 | A | 81.3 | Confident | 81.1 | Confident | 57 Ų | 57 | 64.7 Ų | 64.7 | 47% | 0.471 | 37% | 0.367 | S | S | . | . | trans | -70.5 | 145.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 824 | W | 86.9 | Confident | 81.1 | Confident | 18 Ų | 18 | 61.6 Ų | 61.6 | 7% | 0.068 | 33% | 0.331 | C | S | . | . | trans | -107.8 | 116.2 | -179.4 | -73.1 | 6.8 | 0 | 0 | 0 | 110.4 | E800 A803 K804 A807 W818 G819 G945 E946 | E800-W824 HydrophobicContact CG-CB 4.43Å; A803-W824 HydrophobicContact CB-CE3 3.89Å; A803-W824 HydrophobicContact CB-CZ3 3.66Å; K804-W824 HydrophobicContact CG-CD2 4.27Å; K804-W824 HydrophobicContact CG-CE3 4.24Å; K804-W824 HydrophobicContact CG-CH2 3.96Å; K804-W824 HydrophobicContact CG-CZ2 3.96Å; K804-W824 HydrophobicContact CG-CZ3 4.08Å; A807-W824 HydrophobicContact CB-CH2 3.59Å; A807-W824 HydrophobicContact CB-CZ3 4.4Å; W818-W824 AromaticContact CE3-CH2 3.96Å; W818-W824 HydrophobicContact CE3-CH2 3.96Å; W818-W824 AromaticContact CE3-CZ2 3.58Å; W818-W824 HydrophobicContact CE3-CZ2 3.58Å; W818-W824 AromaticContact CZ3-CH2 3.64Å; W818-W824 HydrophobicContact CZ3-CH2 3.64Å; W818-W824 AromaticContact CZ3-CZ2 3.43Å; W818-W824 HydrophobicContact CZ3-CZ2 3.43Å; W818-W824 VanDerWaalsContact CZ3-CZ2 3.43Å; G819-W824 PolarHBondContact O-NE1 3.36Å; W824-G945 WeakPolarHBondContact CH2-O 3.18Å; W824-E946 VanDerWaalsContact CB-CD 3.47Å; W824-E946 HydrophobicContact CB-CG 3.79Å; W824-E946 HydrophobicContact CD2-CB 3.84Å; W824-E946 HydrophobicContact CD2-CG 3.71Å; W824-E946 HydrophobicContact CE3-CB 4.19Å; W824-E946 HydrophobicContact CE3-CG 3.91Å; W824-E946 HydrophobicContact CG-CB 4.06Å; W824-E946 HydrophobicContact CG-CG 3.68Å; W824-E946 HydrophobicContact CZ2-CB 4.4Å | ||
| 825 | E | 82.3 | Confident | 80.5 | Confident | 106 Ų | 106 | 56.1 Ų | 56.1 | 50% | 0.495 | 31% | 0.305 | S | S | . | . | trans | -90.5 | -26.7 | -169.2 | -64.4 | -71 | 171.7 | 0 | 0 | 114.2 | D827 Y828 E946 | E825-D827 PolarHBondContact O-N 3.41Å; E825-Y828 HydrophobicContact CB-CE1 4.09Å; E825-Y828 HydrophobicContact CG-CE1 4.41Å; E825-E946 PolarHBondContact N-OE1 3.11Å | ||
| 826 | R | 83.2 | Confident | 79.8 | Confident | 47 Ų | 47 | 59.1 Ų | 59.1 | 18% | 0.177 | 33% | 0.326 | C | S | . | . | S | Bend | trans | 64.8 | -52.6 | -178 | -57.4 | -179.9 | 177.6 | 177.7 | -2.5 | 115.8 | L799 F860 S861 E946 | L799-R826 PolarHBondContact O-NH2 3.33Å; R826-F860 CarbonylContact O-C 3.5Å; R826-F860 VanDerWaalsContact O-CA 3.24Å; R826-F860 WeakPolarHBondContact O-CA 3.33Å; R826-S861 PolarHBondContact O-N 2.83Å; R826-E946 VanDerWaalsContact CA-OE1 3.3Å; R826-E946 WeakPolarHBondContact CA-OE1 3.41Å; R826-E946 PolarHBondContact N-OE1 3.13Å |
| 827 | D | 86.6 | Confident | 79.5 | Confident | 33 Ų | 33 | 57.3 Ų | 57.3 | 18% | 0.176 | 32% | 0.32 | C | S | . | . | B | Isolated β-bridge | trans | -105.8 | 80 | -173.7 | -168.5 | -16 | 0 | 0 | 0 | 112.3 | E825 S830 V858 S861 | E825-D827 PolarHBondContact O-N 3.41Å; D827-S830 PolarHBondContact O-OG 3.22Å; D827-S830 VanDerWaalsContact O-OG 3.04Å; D827-S830 WeakPolarHBondContact OD1-CB 3.43Å; D827-S830 PolarHBondContact OD1-N 3.17Å; D827-S830 PolarHBondContact OD1-OG 2.9Å; D827-S830 PolarHBondContact OD2-OG 3.22Å; D827-V858 HydrophobicContact CB-CB 4.5Å; D827-V858 HydrophobicContact CB-CG1 4.07Å; D827-S861 WeakPolarHBondContact CA-OG 3.26Å; D827-S861 WeakPolarHBondContact OD1-CB 3.18Å; D827-S861 PolarHBondContact OD1-OG 2.88Å |
| 828 | Y | 86.4 | Confident | 79.3 | Confident | 6 Ų | 6 | 54.7 Ų | 54.7 | 2% | 0.024 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -32.6 | -174.9 | -65.4 | -89 | 0 | 0 | 0 | 113.8 | R822 E825 S830 N831 F860 S861 R943 E946 | R822-Y828 PolarHBondContact NH1-OH 3.13Å; R822-Y828 PolarHBondContact NH2-OH 3.43Å; E825-Y828 HydrophobicContact CB-CE1 4.09Å; E825-Y828 HydrophobicContact CG-CE1 4.41Å; Y828-S830 VanDerWaalsContact C-N 3.31Å; Y828-S830 PolarHBondContact O-N 2.92Å; Y828-N831 WeakPolarHBondContact O-CB 3.41Å; Y828-N831 PolarHBondContact O-N 2.72Å; Y828-F860 HydrophobicContact CD2-CE2 4.05Å; Y828-F860 HydrophobicContact CD2-CZ 4.2Å; Y828-F860 HydrophobicContact CE2-CD2 4.48Å; Y828-F860 AromaticContact CE2-CE2 3.71Å; Y828-F860 HydrophobicContact CE2-CE2 3.71Å; Y828-F860 HydrophobicContact CE2-CZ 4.18Å; Y828-S861 VanDerWaalsContact CB-O 3.23Å; Y828-S861 WeakPolarHBondContact CB-O 3.32Å; Y828-S861 VanDerWaalsContact CD2-O 3.28Å; Y828-S861 WeakPolarHBondContact CD2-O 3.47Å; Y828-S861 PolarHBondContact N-O 2.91Å; Y828-S861 PolarHBondContact N-OG 3.1Å; Y828-S861 VanDerWaalsContact N-OG 3.16Å; Y828-R943 HydrophobicContact CE2-CG 4.48Å; Y828-E946 VanDerWaalsContact OH-CD 3.28Å; Y828-E946 PolarHBondContact OH-OE1 3.05Å; Y828-E946 PolarHBondContact OH-OE2 2.97Å |
| 829 | L | 84.4 | Confident | 79.1 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -26.8 | -179 | -64.9 | 175.8 | 0 | 0 | 0 | 113 | N831 S839 F842 S861 F863 A877 | L829-N831 VanDerWaalsContact C-N 3.35Å; L829-S839 WeakPolarHBondContact O-CA 3.36Å; L829-F842 VanDerWaalsContact C-CD1 3.48Å; L829-F842 HydrophobicContact CB-CD1 3.46Å; L829-F842 VanDerWaalsContact CB-CD1 3.46Å; L829-F842 HydrophobicContact CB-CD2 4.01Å; L829-F842 HydrophobicContact CB-CE1 3.41Å; L829-F842 VanDerWaalsContact CB-CE1 3.41Å; L829-F842 HydrophobicContact CB-CE2 3.96Å; L829-F842 HydrophobicContact CB-CG 3.75Å; L829-F842 HydrophobicContact CB-CZ 3.65Å; L829-F842 HydrophobicContact CD1-CD2 3.99Å; L829-F842 HydrophobicContact CD1-CE1 4.38Å; L829-F842 HydrophobicContact CD1-CE2 3.52Å; L829-F842 HydrophobicContact CD1-CZ 3.72Å; L829-F842 HydrophobicContact CG-CE2 4.4Å; L829-F842 HydrophobicContact CG-CZ 4.33Å; L829-S861 WeakPolarHBondContact CB-OG 3.43Å; L829-S861 PolarHBondContact N-OG 2.76Å; L829-F863 HydrophobicContact CD2-CD1 3.63Å; L829-F863 HydrophobicContact CD2-CD2 3.76Å; L829-F863 HydrophobicContact CD2-CE1 3.6Å; L829-F863 HydrophobicContact CD2-CE2 3.78Å; L829-F863 HydrophobicContact CD2-CG 3.69Å; L829-F863 HydrophobicContact CD2-CZ 3.68Å; L829-A877 HydrophobicContact CD1-CB 3.67Å; L829-A877 HydrophobicContact CD2-CB 4.29Å |
| 830 | S | 83.3 | Confident | 79.2 | Confident | 40 Ų | 40 | 57.7 Ų | 57.7 | 28% | 0.28 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -16.8 | 173.5 | 75.1 | 0 | 0 | 0 | 0 | 113.1 | D827 Y828 A832 | D827-S830 PolarHBondContact O-OG 3.22Å; D827-S830 VanDerWaalsContact O-OG 3.04Å; D827-S830 WeakPolarHBondContact OD1-CB 3.43Å; D827-S830 PolarHBondContact OD1-N 3.17Å; D827-S830 PolarHBondContact OD1-OG 2.9Å; D827-S830 PolarHBondContact OD2-OG 3.22Å; Y828-S830 VanDerWaalsContact C-N 3.31Å; Y828-S830 PolarHBondContact O-N 2.92Å; S830-A832 PolarHBondContact O-N 3.47Å |
| 831 | N | 81 | Confident | 79.2 | Confident | 39 Ų | 39 | 55.7 Ų | 55.7 | 21% | 0.209 | 33% | 0.326 | C | S | . | . | trans | -77.8 | 112.8 | -175.4 | -167.6 | -21.9 | 0 | 0 | 0 | 110.6 | Y828 L829 R833 D834 S835 | Y828-N831 WeakPolarHBondContact O-CB 3.41Å; Y828-N831 PolarHBondContact O-N 2.72Å; L829-N831 VanDerWaalsContact C-N 3.35Å; N831-R833 PolarHBondContact O-N 3.3Å; N831-R833 VanDerWaalsContact O-N 3.14Å; N831-R833 WeakPolarHBondContact OD1-CB 3.48Å; N831-R833 PolarHBondContact OD1-N 3.15Å; N831-D834 HydrophobicContact CB-CB 4.32Å; N831-D834 PolarHBondContact O-N 3.07Å; N831-S835 PolarHBondContact O-N 3.47Å; N831-S835 VanDerWaalsContact O-N 3.11Å | ||
| 832 | A | 73.6 | Confident | 79.5 | Confident | 64 Ų | 64 | 51.7 Ų | 51.7 | 53% | 0.529 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -24.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | S830 P836 | S830-A832 PolarHBondContact O-N 3.47Å; A832-P836 WeakPolarHBondContact O-CA 3.28Å |
| 833 | R | 71.3 | Confident | 79.6 | Confident | 193 Ų | 193 | 53.2 Ų | 53.2 | 73% | 0.728 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -39.2 | 175.6 | -63.3 | -177.5 | 177.3 | 175.3 | -0.6 | 111.7 | N831 L937 | N831-R833 PolarHBondContact O-N 3.3Å; N831-R833 VanDerWaalsContact O-N 3.14Å; N831-R833 WeakPolarHBondContact OD1-CB 3.48Å; N831-R833 PolarHBondContact OD1-N 3.15Å; R833-L937 WeakPolarHBondContact O-CD1 3.12Å |
| 834 | D | 70.4 | Confident | 79.8 | Confident | 18 Ų | 18 | 56.8 Ų | 56.8 | 10% | 0.096 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -17.2 | -171.8 | -149.3 | 47.5 | 0 | 0 | 0 | 112.8 | N831 G935 R943 | N831-D834 HydrophobicContact CB-CB 4.32Å; N831-D834 PolarHBondContact O-N 3.07Å; D834-G935 WeakPolarHBondContact OD1-CA 3.47Å; D834-R943 IonicContact OD1-NH2 3.37Å; D834-R943 PolarHBondContact OD1-NH2 3.4Å; D834-R943 IonicContact OD2-CZ 3.13Å; D834-R943 IonicContact OD2-NH1 2.93Å; D834-R943 PolarHBondContact OD2-NH1 3.28Å; D834-R943 IonicContact OD2-NH2 2.74Å; D834-R943 PolarHBondContact OD2-NH2 2.87Å |
| 835 | S | 69.7 | Low | 79.8 | Confident | 4 Ų | 4 | 56.6 Ų | 56.6 | 3% | 0.028 | 30% | 0.298 | C | S | . | . | trans | -147.6 | 61.4 | -175.9 | -61.1 | 0 | 0 | 0 | 0 | 112.1 | N831 H837 T838 S839 F863 | N831-S835 PolarHBondContact O-N 3.47Å; N831-S835 VanDerWaalsContact O-N 3.11Å; S835-H837 VanDerWaalsContact C-N 3.33Å; S835-H837 PolarHBondContact O-N 3.17Å; S835-T838 PolarHBondContact O-N 3.47Å; S835-S839 WeakPolarHBondContact O-CB 3.09Å; S835-S839 PolarHBondContact O-N 3.39Å; S835-S839 PolarHBondContact O-OG 3.27Å; S835-F863 WeakPolarHBondContact OG-CE2 3.4Å | ||
| 836 | P | 69.1 | Low | 79.9 | Confident | 68 Ų | 68 | 52.3 Ų | 52.3 | 44% | 0.442 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -38.4 | -168 | 21.2 | -31.6 | 0 | 0 | 0 | 113.2 | A832 | A832-P836 WeakPolarHBondContact O-CA 3.28Š|
| 837 | H | 71.4 | Confident | 80 | Confident | 175 Ų | 175 | 57 Ų | 57 | 81% | 0.81 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -11.3 | -176.3 | -59.1 | -60.5 | 0 | 0 | 0 | 114.9 | S835 | S835-H837 VanDerWaalsContact C-N 3.33Å; S835-H837 PolarHBondContact O-N 3.17Å |
| 838 | T | 77 | Confident | 80 | Confident | 44 Ų | 44 | 60.7 Ų | 60.7 | 27% | 0.27 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.1 | -13.2 | -171.6 | 63.9 | 0 | 0 | 0 | 0 | 114.6 | S835 A840 A841 F842 F863 Y894 | S835-T838 PolarHBondContact O-N 3.47Å; T838-A840 PolarHBondContact O-N 2.85Å; T838-A841 PolarHBondContact O-N 2.74Å; T838-F842 PolarHBondContact O-N 3.34Å; T838-F863 WeakPolarHBondContact OG1-CZ 3.33Å; T838-Y894 VanDerWaalsContact CB-OH 3.22Å; T838-Y894 WeakPolarHBondContact CB-OH 3.37Å; T838-Y894 WeakPolarHBondContact O-CE2 3.17Å; T838-Y894 PolarHBondContact OG1-OH 3.12Å |
| 839 | S | 79.6 | Confident | 80 | Confident | 9 Ų | 9 | 61 Ų | 61 | 6% | 0.063 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.7 | -43.2 | -179.2 | 51.4 | 0 | 0 | 0 | 0 | 113.5 | L829 S835 A841 F842 I843 | L829-S839 WeakPolarHBondContact O-CA 3.36Å; S835-S839 WeakPolarHBondContact O-CB 3.09Å; S835-S839 PolarHBondContact O-N 3.39Å; S835-S839 PolarHBondContact O-OG 3.27Å; S839-A841 VanDerWaalsContact C-N 3.32Å; S839-A841 PolarHBondContact O-N 2.97Å; S839-F842 PolarHBondContact O-N 3.41Å; S839-F842 VanDerWaalsContact O-N 3.15Å; S839-I843 VanDerWaalsContact O-CG1 3.28Å; S839-I843 WeakPolarHBondContact O-CG1 3.2Å; S839-I843 PolarHBondContact O-N 2.77Å |
| 840 | A | 80.8 | Confident | 80.1 | Confident | 78 Ų | 78 | 65.5 Ų | 65.5 | 65% | 0.645 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -61.2 | -39.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | T838 R844 | T838-A840 PolarHBondContact O-N 2.85Å; A840-R844 PolarHBondContact O-N 3.23Å |
| 841 | A | 82.8 | Confident | 80.3 | Confident | 30 Ų | 30 | 69.7 Ų | 69.7 | 25% | 0.248 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -68.1 | -39 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | T838 S839 V845 Y894 | T838-A841 PolarHBondContact O-N 2.74Å; S839-A841 VanDerWaalsContact C-N 3.32Å; S839-A841 PolarHBondContact O-N 2.97Å; A841-V845 WeakPolarHBondContact O-CG2 3.1Å; A841-V845 PolarHBondContact O-N 3.06Å; A841-V845 VanDerWaalsContact O-N 3.17Å; A841-Y894 HydrophobicContact CB-CD2 4.18Å; A841-Y894 HydrophobicContact CB-CE2 4.23Å |
| 842 | F | 86.1 | Confident | 80.5 | Confident | 1 Ų | 1 | 75.9 Ų | 75.9 | 0% | 0.004 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66.9 | -44.3 | 176.5 | 178.2 | -103.2 | 0 | 0 | 0 | 112.6 | L829 T838 S839 R844 V845 S846 L879 L888 Y894 | L829-F842 VanDerWaalsContact C-CD1 3.48Å; L829-F842 HydrophobicContact CB-CD1 3.46Å; L829-F842 VanDerWaalsContact CB-CD1 3.46Å; L829-F842 HydrophobicContact CB-CD2 4.01Å; L829-F842 HydrophobicContact CB-CE1 3.41Å; L829-F842 VanDerWaalsContact CB-CE1 3.41Å; L829-F842 HydrophobicContact CB-CE2 3.96Å; L829-F842 HydrophobicContact CB-CG 3.75Å; L829-F842 HydrophobicContact CB-CZ 3.65Å; L829-F842 HydrophobicContact CD1-CD2 3.99Å; L829-F842 HydrophobicContact CD1-CE1 4.38Å; L829-F842 HydrophobicContact CD1-CE2 3.52Å; L829-F842 HydrophobicContact CD1-CZ 3.72Å; L829-F842 HydrophobicContact CG-CE2 4.4Å; L829-F842 HydrophobicContact CG-CZ 4.33Å; T838-F842 PolarHBondContact O-N 3.34Å; S839-F842 PolarHBondContact O-N 3.41Å; S839-F842 VanDerWaalsContact O-N 3.15Å; F842-R844 VanDerWaalsContact C-N 3.26Å; F842-R844 PolarHBondContact O-N 3.26Å; F842-V845 PolarHBondContact O-N 3.38Å; F842-V845 VanDerWaalsContact O-N 3.17Å; F842-S846 VanDerWaalsContact O-CB 3.28Å; F842-S846 WeakPolarHBondContact O-CB 3.49Å; F842-S846 PolarHBondContact O-N 2.98Å; F842-L879 HydrophobicContact CE2-CB 4.32Å; F842-L879 HydrophobicContact CE2-CD2 4.19Å; F842-L879 HydrophobicContact CZ-CB 4.28Å; F842-L879 HydrophobicContact CZ-CD1 4.09Å; F842-L879 HydrophobicContact CZ-CD2 4.07Å; F842-L879 HydrophobicContact CZ-CG 4.36Å; F842-L888 HydrophobicContact CD2-CD1 4.14Å; F842-L888 HydrophobicContact CE2-CD1 3.72Å; F842-Y894 HydrophobicContact CB-CD2 4.07Å; F842-Y894 HydrophobicContact CB-CE1 4.23Å; F842-Y894 HydrophobicContact CB-CE2 3.72Å; F842-Y894 HydrophobicContact CB-CG 4.45Å; F842-Y894 AromaticContact CD2-CD1 3.81Å; F842-Y894 HydrophobicContact CD2-CD1 3.81Å; F842-Y894 AromaticContact CD2-CE1 3.87Å; F842-Y894 HydrophobicContact CD2-CE1 3.87Å; F842-Y894 HydrophobicContact CD2-CG 4.2Å; F842-Y894 HydrophobicContact CG-CE1 4.43Å |
| 843 | I | 83.9 | Confident | 81 | Confident | 88 Ų | 88 | 74.1 Ų | 74.1 | 45% | 0.451 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -57.8 | -42.7 | 178.2 | -69.5 | 164.6 | 0 | 0 | 0 | 110.2 | S839 S846 K847 | S839-I843 VanDerWaalsContact O-CG1 3.28Å; S839-I843 WeakPolarHBondContact O-CG1 3.2Å; S839-I843 PolarHBondContact O-N 2.77Å; I843-S846 PolarHBondContact O-N 3.11Å; I843-K847 WeakPolarHBondContact O-CB 3.21Å; I843-K847 PolarHBondContact O-N 3.47Å |
| 844 | R | 86 | Confident | 81.6 | Confident | 131 Ų | 131 | 67 Ų | 67 | 49% | 0.494 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.7 | -51.5 | 175.3 | -170.1 | -179.9 | 72.2 | -160.1 | 0.4 | 111.5 | A840 F842 K847 E848 | A840-R844 PolarHBondContact O-N 3.23Å; F842-R844 VanDerWaalsContact C-N 3.26Å; F842-R844 PolarHBondContact O-N 3.26Å; R844-K847 PolarHBondContact O-N 3.36Å; R844-E848 WeakPolarHBondContact O-CG 3.37Å; R844-E848 PolarHBondContact O-N 2.98Å |
| 845 | V | 86.1 | Confident | 82.3 | Confident | 14 Ų | 14 | 66.3 Ų | 66.3 | 9% | 0.085 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.1 | -38.8 | -179.6 | 173.4 | 0 | 0 | 0 | 0 | 112.1 | A841 F842 K847 E848 L849 | A841-V845 WeakPolarHBondContact O-CG2 3.1Å; A841-V845 PolarHBondContact O-N 3.06Å; A841-V845 VanDerWaalsContact O-N 3.17Å; F842-V845 PolarHBondContact O-N 3.38Å; F842-V845 VanDerWaalsContact O-N 3.17Å; V845-K847 VanDerWaalsContact C-N 3.34Å; V845-K847 PolarHBondContact O-N 3.49Å; V845-E848 PolarHBondContact O-N 3.26Å; V845-L849 HydrophobicContact CG1-CD1 3.97Å; V845-L849 HydrophobicContact CG1-CG 4.29Å; V845-L849 WeakPolarHBondContact O-CB 3.37Å; V845-L849 VanDerWaalsContact O-CG 3.27Å; V845-L849 WeakPolarHBondContact O-CG 3.46Å; V845-L849 PolarHBondContact O-N 3.31Å |
| 846 | S | 85.7 | Confident | 82.9 | Confident | 17 Ų | 17 | 68.2 Ų | 68.2 | 12% | 0.119 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.3 | -41.7 | 175 | -177.3 | 0 | 0 | 0 | 0 | 110.8 | F842 I843 L849 K850 Y855 | F842-S846 VanDerWaalsContact O-CB 3.28Å; F842-S846 WeakPolarHBondContact O-CB 3.49Å; F842-S846 PolarHBondContact O-N 2.98Å; I843-S846 PolarHBondContact O-N 3.11Å; S846-L849 PolarHBondContact O-N 2.85Å; S846-K850 VanDerWaalsContact O-CB 3.29Å; S846-K850 WeakPolarHBondContact O-CB 3.42Å; S846-K850 PolarHBondContact O-N 3.3Å; S846-Y855 PolarHBondContact O-OH 3.24Å; S846-Y855 PolarHBondContact OG-OH 2.85Å |
| 847 | K | 84.9 | Confident | 83.6 | Confident | 144 Ų | 144 | 68.8 Ų | 68.8 | 63% | 0.626 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -65.6 | -41.2 | 175.2 | -165.8 | 175.6 | -177.4 | 179.7 | 0 | 112 | I843 R844 V845 K850 N851 | I843-K847 WeakPolarHBondContact O-CB 3.21Å; I843-K847 PolarHBondContact O-N 3.47Å; R844-K847 PolarHBondContact O-N 3.36Å; V845-K847 VanDerWaalsContact C-N 3.34Å; V845-K847 PolarHBondContact O-N 3.49Å; K847-K850 PolarHBondContact O-N 3.28Å; K847-N851 VanDerWaalsContact O-CG 3.27Å; K847-N851 PolarHBondContact O-N 3.02Å |
| 848 | E | 86.3 | Confident | 84.4 | Confident | 111 Ų | 111 | 62 Ų | 62 | 52% | 0.519 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.5 | -45.6 | 173.7 | -74.1 | 171.2 | -163.6 | 0 | 0 | 112 | R844 V845 N851 K852 | R844-E848 WeakPolarHBondContact O-CG 3.37Å; R844-E848 PolarHBondContact O-N 2.98Å; V845-E848 PolarHBondContact O-N 3.26Å; E848-N851 PolarHBondContact O-N 3.06Å; E848-K852 WeakPolarHBondContact O-CB 3.39Å; E848-K852 PolarHBondContact O-N 2.68Å |
| 849 | L | 87.2 | Confident | 85 | Confident | 14 Ų | 14 | 60.1 Ų | 60.1 | 7% | 0.073 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.6 | -36.6 | 176.7 | -68.4 | 173.8 | 0 | 0 | 0 | 112.1 | V845 S846 N851 K852 D853 Y855 L879 Y886 L888 V896 | V845-L849 HydrophobicContact CG1-CD1 3.97Å; V845-L849 HydrophobicContact CG1-CG 4.29Å; V845-L849 WeakPolarHBondContact O-CB 3.37Å; V845-L849 VanDerWaalsContact O-CG 3.27Å; V845-L849 WeakPolarHBondContact O-CG 3.46Å; V845-L849 PolarHBondContact O-N 3.31Å; S846-L849 PolarHBondContact O-N 2.85Å; L849-N851 VanDerWaalsContact C-N 3.34Å; L849-K852 PolarHBondContact O-N 2.75Å; L849-D853 WeakPolarHBondContact O-CB 3.25Å; L849-D853 PolarHBondContact O-N 3.35Å; L849-Y855 HydrophobicContact CB-CE1 3.93Å; L849-L879 HydrophobicContact CD1-CD2 4.31Å; L849-Y886 HydrophobicContact CD1-CD1 4.22Å; L849-Y886 HydrophobicContact CD1-CE1 4.43Å; L849-Y886 HydrophobicContact CD1-CG 4.39Å; L849-Y886 HydrophobicContact CD2-CE1 4.24Å; L849-L888 HydrophobicContact CD1-CD2 4.37Å; L849-V896 HydrophobicContact CD1-CG2 4.05Å; L849-V896 HydrophobicContact CD2-CG2 3.76Å; L849-V896 HydrophobicContact CG-CG2 4.46Å |
| 850 | K | 85.4 | Confident | 85.5 | Confident | 93 Ų | 93 | 59.7 Ų | 59.7 | 40% | 0.404 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 175.1 | -170.7 | 172.8 | -173.5 | 171 | 0 | 111.3 | S846 K847 G854 Y855 G856 | S846-K850 VanDerWaalsContact O-CB 3.29Å; S846-K850 WeakPolarHBondContact O-CB 3.42Å; S846-K850 PolarHBondContact O-N 3.3Å; K847-K850 PolarHBondContact O-N 3.28Å; K850-G854 VanDerWaalsContact O-CA 3.25Å; K850-G854 WeakPolarHBondContact O-CA 3.33Å; K850-G854 PolarHBondContact O-N 3.04Å; K850-Y855 VanDerWaalsContact CA-CE1 3.47Å; K850-Y855 HydrophobicContact CB-CD1 4.49Å; K850-Y855 HydrophobicContact CB-CE1 4Å; K850-Y855 HydrophobicContact CB-CE2 4.11Å; K850-Y855 HydrophobicContact CD-CE2 4.43Å; K850-Y855 VanDerWaalsContact CE-O 3.23Å; K850-Y855 WeakPolarHBondContact CE-O 3.08Å; K850-Y855 HydrophobicContact CG-CD2 4.33Å; K850-Y855 HydrophobicContact CG-CE2 4.18Å; K850-Y855 WeakPolarHBondContact CG-O 3.39Å; K850-G856 WeakPolarHBondContact CE-O 3.46Å; K850-G856 PolarHBondContact NZ-O 2.81Å |
| 851 | N | 87.3 | Confident | 86 | Confident | 129 Ų | 129 | 56 Ų | 56 | 69% | 0.69 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -68.6 | -36.2 | 177.4 | -68.6 | -9.9 | 0 | 0 | 0 | 112.1 | K847 E848 L849 | K847-N851 VanDerWaalsContact O-CG 3.27Å; K847-N851 PolarHBondContact O-N 3.02Å; E848-N851 PolarHBondContact O-N 3.06Å; L849-N851 VanDerWaalsContact C-N 3.34Å |
| 852 | K | 85.8 | Confident | 86.3 | Confident | 169 Ų | 169 | 54.6 Ų | 54.6 | 74% | 0.735 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -77.6 | -47.3 | -178.4 | -174.8 | 179.2 | -179.7 | 176.8 | 0 | 113.8 | E848 L849 | E848-K852 WeakPolarHBondContact O-CB 3.39Å; E848-K852 PolarHBondContact O-N 2.68Å; L849-K852 PolarHBondContact O-N 2.75Å |
| 853 | D | 85.3 | Confident | 86.4 | Confident | 26 Ų | 26 | 56.4 Ų | 56.4 | 14% | 0.139 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -104.8 | -3.6 | -171.1 | -67.2 | -50.8 | 0 | 0 | 0 | 112.8 | L849 Y855 F884 Y886 R899 | L849-D853 WeakPolarHBondContact O-CB 3.25Å; L849-D853 PolarHBondContact O-N 3.35Å; D853-Y855 PolarHBondContact O-N 2.83Å; D853-F884 HydrophobicContact CB-CD2 4.27Å; D853-F884 HydrophobicContact CB-CE2 4.13Å; D853-Y886 WeakPolarHBondContact CB-OH 3.16Å; D853-Y886 VanDerWaalsContact CG-OH 3.25Å; D853-Y886 WeakPolarHBondContact OD2-CE1 3.3Å; D853-Y886 PolarHBondContact OD2-OH 3.12Å; D853-R899 IonicContact OD1-CZ 3.32Å; D853-R899 IonicContact OD1-NH1 3.19Å; D853-R899 PolarHBondContact OD1-NH1 2.9Å |
| 854 | G | 83.3 | Confident | 86.6 | Confident | 43 Ų | 43 | 52.4 Ų | 52.4 | 44% | 0.443 | 27% | 0.267 | S | S | . | . | trans | 64.5 | 36.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | K850 K883 | K850-G854 VanDerWaalsContact O-CA 3.25Å; K850-G854 WeakPolarHBondContact O-CA 3.33Å; K850-G854 PolarHBondContact O-N 3.04Å; G854-K883 PolarHBondContact O-NZ 2.79Å | ||
| 855 | Y | 85.6 | Confident | 86.7 | Confident | 5 Ų | 5 | 48 Ų | 48 | 2% | 0.02 | 25% | 0.25 | C | C | . | . | trans | -84.9 | 144.2 | 177.4 | 68.9 | -104 | 0 | 0 | 0 | 111.6 | S846 L849 K850 D853 V858 T881 D882 Y886 | S846-Y855 PolarHBondContact O-OH 3.24Å; S846-Y855 PolarHBondContact OG-OH 2.85Å; L849-Y855 HydrophobicContact CB-CE1 3.93Å; K850-Y855 VanDerWaalsContact CA-CE1 3.47Å; K850-Y855 HydrophobicContact CB-CD1 4.49Å; K850-Y855 HydrophobicContact CB-CE1 4Å; K850-Y855 HydrophobicContact CB-CE2 4.11Å; K850-Y855 HydrophobicContact CD-CE2 4.43Å; K850-Y855 VanDerWaalsContact CE-O 3.23Å; K850-Y855 WeakPolarHBondContact CE-O 3.08Å; K850-Y855 HydrophobicContact CG-CD2 4.33Å; K850-Y855 HydrophobicContact CG-CE2 4.18Å; K850-Y855 WeakPolarHBondContact CG-O 3.39Å; D853-Y855 PolarHBondContact O-N 2.83Å; Y855-V858 HydrophobicContact CE2-CG2 4.11Å; Y855-T881 WeakPolarHBondContact CB-OG1 3.46Å; Y855-T881 HydrophobicContact CD1-CG2 3.83Å; Y855-T881 HydrophobicContact CD2-CG2 3.45Å; Y855-T881 VanDerWaalsContact CD2-CG2 3.45Å; Y855-T881 HydrophobicContact CE1-CG2 3.82Å; Y855-T881 HydrophobicContact CE2-CG2 3.48Å; Y855-T881 VanDerWaalsContact CE2-CG2 3.48Å; Y855-T881 HydrophobicContact CG-CG2 3.63Å; Y855-D882 WeakPolarHBondContact CA-OD1 3.31Å; Y855-D882 VanDerWaalsContact CB-OD1 3.22Å; Y855-D882 WeakPolarHBondContact CB-OD1 3.35Å; Y855-Y886 HydrophobicContact CD1-CE2 4.34Å; Y855-Y886 HydrophobicContact CE1-CE2 4.24Å | ||
| 856 | G | 80.8 | Confident | 86.7 | Confident | 44 Ų | 44 | 48.6 Ų | 48.6 | 45% | 0.454 | 25% | 0.252 | S | S | . | . | trans | -80.5 | -47.5 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | K850 D882 | K850-G856 WeakPolarHBondContact CE-O 3.46Å; K850-G856 PolarHBondContact NZ-O 2.81Å; G856-D882 WeakPolarHBondContact CA-OD2 3.46Å; G856-D882 VanDerWaalsContact N-CG 3.35Å; G856-D882 PolarHBondContact N-OD1 3.21Å; G856-D882 PolarHBondContact N-OD2 2.96Å | ||
| 857 | Q | 85.1 | Confident | 86.5 | Confident | 80 Ų | 80 | 48 Ų | 48 | 37% | 0.374 | 25% | 0.247 | S | C | . | . | trans | -143.4 | 156.8 | -176.4 | 66.7 | 178.6 | 14.1 | 0 | 0 | 112.2 | T881 D882 | Q857-T881 WeakPolarHBondContact O-CA 3.45Å; Q857-D882 HydrophobicContact CG-CB 4.33Å; Q857-D882 PolarHBondContact O-N 2.87Å | ||
| 858 | V | 87.9 | Confident | 85.8 | Confident | 31 Ų | 31 | 42.5 Ų | 42.5 | 19% | 0.188 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 123.8 | 167.3 | -180 | 0 | 0 | 0 | 0 | 107.9 | D827 Y855 L879 | D827-V858 HydrophobicContact CB-CB 4.5Å; D827-V858 HydrophobicContact CB-CG1 4.07Å; Y855-V858 HydrophobicContact CE2-CG2 4.11Å; V858-L879 HydrophobicContact CB-CD1 4.37Å; V858-L879 HydrophobicContact CG1-CD1 3.63Å; V858-L879 HydrophobicContact CG2-CD1 3.9Å |
| 859 | V | 88.5 | Confident | 85 | Confident | 6 Ų | 6 | 45.8 Ų | 45.8 | 4% | 0.036 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | -42.4 | 177.6 | 174.6 | 0 | 0 | 0 | 0 | 109.9 | I880 D882 A950 L951 H954 | V859-I880 HydrophobicContact CB-CG2 4.09Å; V859-I880 HydrophobicContact CG1-CG2 4.42Å; V859-I880 PolarHBondContact N-O 2.8Å; V859-D882 HydrophobicContact CG2-CB 4.49Å; V859-A950 HydrophobicContact CG1-CB 4.27Å; V859-L951 HydrophobicContact CG1-CD2 4.24Å; V859-H954 HydrophobicContact CG1-CB 4.45Å |
| 860 | F | 91.3 | Very high | 84.4 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 141.1 | 175.2 | -174.7 | -93 | 0 | 0 | 0 | 110.7 | R826 Y828 A862 I880 L932 R943 L947 | R826-F860 CarbonylContact O-C 3.5Å; R826-F860 VanDerWaalsContact O-CA 3.24Å; R826-F860 WeakPolarHBondContact O-CA 3.33Å; Y828-F860 HydrophobicContact CD2-CE2 4.05Å; Y828-F860 HydrophobicContact CD2-CZ 4.2Å; Y828-F860 HydrophobicContact CE2-CD2 4.48Å; Y828-F860 AromaticContact CE2-CE2 3.71Å; Y828-F860 HydrophobicContact CE2-CE2 3.71Å; Y828-F860 HydrophobicContact CE2-CZ 4.18Å; F860-A862 HydrophobicContact CD1-CB 4.45Å; F860-A862 HydrophobicContact CE1-CB 3.53Å; F860-A862 HydrophobicContact CZ-CB 3.91Å; F860-I880 HydrophobicContact CB-CB 4.35Å; F860-I880 HydrophobicContact CB-CD1 4.41Å; F860-I880 PolarHBondContact N-O 3.41Å; F860-I880 VanDerWaalsContact N-O 3.13Å; F860-I880 WeakPolarHBondContact O-CA 3.3Å; F860-I880 WeakPolarHBondContact O-CB 3.43Å; F860-I880 PolarHBondContact O-N 3.42Å; F860-L932 HydrophobicContact CE1-CD1 4.27Å; F860-L932 HydrophobicContact CE1-CD2 3.98Å; F860-L932 HydrophobicContact CZ-CD1 4.07Å; F860-L932 HydrophobicContact CZ-CD2 4.49Å; F860-R943 HydrophobicContact CZ-CB 4.26Å; F860-L947 HydrophobicContact CB-CD1 3.84Å; F860-L947 HydrophobicContact CD1-CD1 3.66Å; F860-L947 HydrophobicContact CD2-CB 4.18Å; F860-L947 HydrophobicContact CD2-CD1 4.19Å; F860-L947 HydrophobicContact CE1-CB 4.43Å; F860-L947 HydrophobicContact CE1-CD1 4.2Å; F860-L947 HydrophobicContact CE2-CB 4.03Å; F860-L947 HydrophobicContact CG-CB 4.43Å; F860-L947 HydrophobicContact CG-CD1 3.64Å; F860-L947 HydrophobicContact CZ-CB 4.17Å |
| 861 | S | 90.1 | Very high | 84 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 138.8 | 170.8 | 91.6 | 0 | 0 | 0 | 0 | 110.4 | R826 D827 Y828 L829 L878 | R826-S861 PolarHBondContact O-N 2.83Å; D827-S861 WeakPolarHBondContact CA-OG 3.26Å; D827-S861 WeakPolarHBondContact OD1-CB 3.18Å; D827-S861 PolarHBondContact OD1-OG 2.88Å; Y828-S861 VanDerWaalsContact CB-O 3.23Å; Y828-S861 WeakPolarHBondContact CB-O 3.32Å; Y828-S861 VanDerWaalsContact CD2-O 3.28Å; Y828-S861 WeakPolarHBondContact CD2-O 3.47Å; Y828-S861 PolarHBondContact N-O 2.91Å; Y828-S861 PolarHBondContact N-OG 3.1Å; Y828-S861 VanDerWaalsContact N-OG 3.16Å; L829-S861 WeakPolarHBondContact CB-OG 3.43Å; L829-S861 PolarHBondContact N-OG 2.76Å; S861-L878 CarbonylContact C-O 3.5Å; S861-L878 VanDerWaalsContact CA-O 3.28Å; S861-L878 WeakPolarHBondContact CA-O 3.44Å |
| 862 | A | 89.9 | Confident | 83.7 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.8 | 159.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | F860 L878 L932 | F860-A862 HydrophobicContact CD1-CB 4.45Å; F860-A862 HydrophobicContact CE1-CB 3.53Å; F860-A862 HydrophobicContact CZ-CB 3.91Å; A862-L878 PolarHBondContact N-O 2.94Å; A862-L878 PolarHBondContact O-N 2.88Å; A862-L932 HydrophobicContact CB-CD2 4.18Å |
| 863 | F | 88.1 | Confident | 83.6 | Confident | 39 Ų | 39 | 44.8 Ų | 44.8 | 17% | 0.171 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 142.4 | 162.6 | -69.7 | -62 | 0 | 0 | 0 | 110.5 | L829 S835 T838 A877 P890 Y894 Q933 | L829-F863 HydrophobicContact CD2-CD1 3.63Å; L829-F863 HydrophobicContact CD2-CD2 3.76Å; L829-F863 HydrophobicContact CD2-CE1 3.6Å; L829-F863 HydrophobicContact CD2-CE2 3.78Å; L829-F863 HydrophobicContact CD2-CG 3.69Å; L829-F863 HydrophobicContact CD2-CZ 3.68Å; S835-F863 WeakPolarHBondContact OG-CE2 3.4Å; T838-F863 WeakPolarHBondContact OG1-CZ 3.33Å; F863-A877 HydrophobicContact CD1-CB 4.12Å; F863-A877 HydrophobicContact CE1-CB 4.27Å; F863-P890 HydrophobicContact CD1-CG 4.1Å; F863-P890 HydrophobicContact CE1-CB 3.99Å; F863-P890 HydrophobicContact CE1-CG 3.83Å; F863-Y894 HydrophobicContact CE1-CE1 4.09Å; F863-Y894 WeakPolarHBondContact CE1-OH 3.37Å; F863-Y894 WeakPolarHBondContact CZ-OH 3.34Å; F863-Q933 HydrophobicContact CB-CB 3.99Å; F863-Q933 HydrophobicContact CB-CG 4.37Å; F863-Q933 VanDerWaalsContact CB-OE1 3.25Å; F863-Q933 PolarHBondContact O-N 2.85Å |
| 864 | C | 88.8 | Confident | 83.7 | Confident | 4 Ų | 4 | 44.9 Ų | 44.9 | 3% | 0.027 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 147.9 | 177.3 | 69.9 | 0 | 0 | 0 | 0 | 111.3 | R876 L930 C931 L932 | C864-R876 PolarHBondContact N-O 3.22Å; C864-R876 CarbonylContact O-C 3.6Å; C864-R876 PolarHBondContact O-N 2.81Å; C864-L930 HydrophobicContact CB-CB 4.23Å; C864-L930 HydrophobicContact CB-CD1 4.41Å; C864-C931 CarbonylContact C-O 3.38Å; C864-C931 WeakPolarHBondContact CA-O 3.45Å; C864-C931 WeakPolarHBondContact CB-O 3.38Å; C864-L932 HydrophobicContact CB-CD2 4.36Å |
| 865 | R | 88.3 | Confident | 83.9 | Confident | 39 Ų | 39 | 45.4 Ų | 45.4 | 15% | 0.147 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 130.3 | 167.2 | -171 | 157.1 | -79.5 | -179.1 | -7.9 | 108.5 | S873 D875 C931 V993 A994 D995 F996 | R865-S873 WeakPolarHBondContact CD-OG 3.2Å; R865-S873 WeakPolarHBondContact CG-OG 3.38Å; R865-D875 IonicContact CZ-OD1 2.84Å; R865-D875 VanDerWaalsContact CZ-OD1 3.23Å; R865-D875 IonicContact NE-OD1 2.85Å; R865-D875 PolarHBondContact NE-OD1 2.86Å; R865-D875 IonicContact NH2-OD1 3.58Å; R865-D875 PolarHBondContact NH2-OD1 2.9Å; R865-D875 IonicContact NH2-OD2 3.18Å; R865-D875 PolarHBondContact NH2-OD2 3.13Å; R865-C931 PolarHBondContact N-O 2.75Å; R865-C931 PolarHBondContact O-N 3.24Å; R865-V993 VanDerWaalsContact NH1-CG1 3.3Å; R865-A994 WeakPolarHBondContact CD-O 3.36Å; R865-A994 PolarHBondContact NH1-O 3.45Å; R865-D995 WeakPolarHBondContact CD-OD1 3.15Å; R865-F996 HydrophobicContact CG-CD2 4.36Å; R865-F996 WeakPolarHBondContact O-CE2 3.36Å |
| 866 | K | 86.1 | Confident | 84.1 | Confident | 27 Ų | 27 | 46.6 Ų | 46.6 | 12% | 0.117 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 142 | -177.4 | 172.6 | 167.7 | -174.8 | 179.6 | 0 | 111.5 | T874 R876 K887 V928 L929 | K866-T874 PolarHBondContact N-O 3.21Å; K866-T874 PolarHBondContact O-N 3.42Å; K866-T874 PolarHBondContact O-OG1 3.12Å; K866-T874 VanDerWaalsContact O-OG1 3.14Å; K866-R876 HydrophobicContact CB-CG 4.43Å; K866-K887 HydrophobicContact CD-CD 4.4Å; K866-V928 HydrophobicContact CD-CG1 4.22Å; K866-L929 WeakPolarHBondContact CG-O 3.48Å |
| 867 | M | 79.8 | Confident | 84.5 | Confident | 3 Ų | 3 | 44.5 Ų | 44.5 | 2% | 0.015 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 128.2 | 168.6 | -74.6 | -64.6 | -94.4 | 0 | 0 | 112.4 | N871 S873 F996 F1003 | M867-N871 HydrophobicContact CE-CB 4.23Å; M867-N871 VanDerWaalsContact CE-O 3.29Å; M867-N871 WeakPolarHBondContact CE-O 3.43Å; M867-S873 PolarHBondContact SD-N 2.97Å; M867-S873 VanDerWaalsContact SD-N 3.45Å; M867-F996 HydrophobicContact CE-CB 4.12Å; M867-F996 HydrophobicContact CG-CB 3.42Å; M867-F996 VanDerWaalsContact CG-CB 3.42Å; M867-F996 HydrophobicContact CG-CD1 4.28Å; M867-F996 HydrophobicContact CG-CD2 3.92Å; M867-F996 HydrophobicContact CG-CG 3.64Å; M867-F996 HydrophobicContact SD-CB 3.34Å; M867-F996 WeakPolarHBondContact SD-CB 3.45Å; M867-F996 HydrophobicContact SD-CG 4.2Å; M867-F1003 HydrophobicContact CE-CD1 3.35Å; M867-F1003 HydrophobicContact CE-CE1 3.43Å; M867-F1003 VanDerWaalsContact CE-CE1 3.43Å; M867-F1003 HydrophobicContact CE-CG 4.36Å; M867-F1003 HydrophobicContact CE-CZ 4.49Å |
| 868 | N | 71.8 | Confident | 84.8 | Confident | 30 Ų | 30 | 41.1 Ų | 41.1 | 16% | 0.16 | 19% | 0.19 | C | C | . | . | trans | -89.2 | 176.2 | 179.8 | 80 | 13.9 | 0 | 0 | 0 | 112.6 | F870 N871 K872 T874 | N868-F870 PolarHBondContact O-N 2.97Å; N868-F870 WeakPolarHBondContact OD1-CA 3.27Å; N868-F870 WeakPolarHBondContact OD1-CB 3.48Å; N868-F870 PolarHBondContact OD1-N 2.79Å; N868-N871 PolarHBondContact O-N 2.83Å; N868-N871 PolarHBondContact OD1-N 3.41Å; N868-K872 WeakPolarHBondContact CB-O 3.45Å; N868-K872 PolarHBondContact N-O 2.77Å; N868-K872 PolarHBondContact ND2-O 3.03Å; N868-K872 PolarHBondContact OD1-N 2.88Å; N868-K872 PolarHBondContact OD1-O 2.92Å; N868-T874 HydrophobicContact CB-CG2 4.4Å | ||
| 869 | R | 69.6 | Low | 84.9 | Confident | 180 Ų | 180 | 39.7 Ų | 39.7 | 68% | 0.679 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -12 | -178 | 76.9 | 175.7 | 176.4 | -178.7 | -2.6 | 114.5 | R977 | R869-R977 VanDerWaalsContact CA-NH2 3.28Å; R869-R977 PolarHBondContact O-NH2 3.4Å |
| 870 | F | 73.1 | Confident | 85.1 | Confident | 137 Ų | 137 | 39.5 Ų | 39.5 | 60% | 0.601 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109.7 | 17.2 | 179.3 | -56.9 | -69 | 0 | 0 | 0 | 112.1 | N868 K872 | N868-F870 PolarHBondContact O-N 2.97Å; N868-F870 WeakPolarHBondContact OD1-CA 3.27Å; N868-F870 WeakPolarHBondContact OD1-CB 3.48Å; N868-F870 PolarHBondContact OD1-N 2.79Å; F870-K872 PolarHBondContact O-N 2.83Å |
| 871 | N | 77.9 | Confident | 85.1 | Confident | 67 Ų | 67 | 39.5 Ų | 39.5 | 36% | 0.358 | 18% | 0.18 | S | C | . | . | S | Bend | trans | 57.6 | 28.9 | -176.4 | -52 | -46.4 | 0 | 0 | 0 | 113.9 | M867 N868 K998 F1003 | M867-N871 HydrophobicContact CE-CB 4.23Å; M867-N871 VanDerWaalsContact CE-O 3.29Å; M867-N871 WeakPolarHBondContact CE-O 3.43Å; N868-N871 PolarHBondContact O-N 2.83Å; N868-N871 PolarHBondContact OD1-N 3.41Å; N871-K998 HydrophobicContact CB-CD 4.19Å; N871-F1003 HydrophobicContact CB-CE1 4.34Å |
| 872 | K | 80 | Confident | 84.9 | Confident | 149 Ų | 149 | 40.9 Ų | 40.9 | 65% | 0.648 | 19% | 0.187 | S | C | * | . | trans | -103.8 | 135.8 | 169.2 | -64.4 | -172.6 | 177.7 | -174.1 | 0 | 109.5 | N868 F870 | N868-K872 WeakPolarHBondContact CB-O 3.45Å; N868-K872 PolarHBondContact N-O 2.77Å; N868-K872 PolarHBondContact ND2-O 3.03Å; N868-K872 PolarHBondContact OD1-N 2.88Å; N868-K872 PolarHBondContact OD1-O 2.92Å; F870-K872 PolarHBondContact O-N 2.83Å | ||
| 873 | S | 84.1 | Confident | 84.8 | Confident | 30 Ų | 30 | 45.2 Ų | 45.2 | 21% | 0.21 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 137.2 | 174.6 | -171.8 | 0 | 0 | 0 | 0 | 110.5 | R865 M867 D995 | R865-S873 WeakPolarHBondContact CD-OG 3.2Å; R865-S873 WeakPolarHBondContact CG-OG 3.38Å; M867-S873 PolarHBondContact SD-N 2.97Å; M867-S873 VanDerWaalsContact SD-N 3.45Å; S873-D995 WeakPolarHBondContact CB-OD1 3.5Å; S873-D995 PolarHBondContact OG-OD1 3.02Å |
| 874 | T | 87.2 | Confident | 84.9 | Confident | 29 Ų | 29 | 45.2 Ų | 45.2 | 18% | 0.178 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 141.4 | -175.2 | 56 | 0 | 0 | 0 | 0 | 111.7 | K866 N868 | K866-T874 PolarHBondContact N-O 3.21Å; K866-T874 PolarHBondContact O-N 3.42Å; K866-T874 PolarHBondContact O-OG1 3.12Å; K866-T874 VanDerWaalsContact O-OG1 3.14Å; N868-T874 HydrophobicContact CB-CG2 4.4Å |
| 875 | D | 87.3 | Confident | 85 | Confident | 54 Ų | 54 | 45.3 Ų | 45.3 | 29% | 0.289 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 131.5 | 177.3 | -61.6 | -33.3 | 0 | 0 | 0 | 111.3 | R865 Q933 | R865-D875 IonicContact CZ-OD1 2.84Å; R865-D875 VanDerWaalsContact CZ-OD1 3.23Å; R865-D875 IonicContact NE-OD1 2.85Å; R865-D875 PolarHBondContact NE-OD1 2.86Å; R865-D875 IonicContact NH2-OD1 3.58Å; R865-D875 PolarHBondContact NH2-OD1 2.9Å; R865-D875 IonicContact NH2-OD2 3.18Å; R865-D875 PolarHBondContact NH2-OD2 3.13Å; D875-Q933 PolarHBondContact OD1-NE2 3.02Å |
| 876 | R | 90.4 | Very high | 85.2 | Confident | 30 Ų | 30 | 43.5 Ų | 43.5 | 11% | 0.113 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 161.9 | -176.8 | -66.2 | -65.5 | -177.8 | -90.2 | 6.7 | 109.7 | C864 K866 L888 E889 | C864-R876 PolarHBondContact N-O 3.22Å; C864-R876 CarbonylContact O-C 3.6Å; C864-R876 PolarHBondContact O-N 2.81Å; K866-R876 HydrophobicContact CB-CG 4.43Å; R876-L888 VanDerWaalsContact CD-O 3.3Å; R876-L888 WeakPolarHBondContact CD-O 3.48Å; R876-E889 VanDerWaalsContact CZ-CD 3.43Å; R876-E889 IonicContact CZ-OE1 2.93Å; R876-E889 VanDerWaalsContact CZ-OE1 3.28Å; R876-E889 IonicContact CZ-OE2 3.14Å; R876-E889 IonicContact NE-OE2 3Å; R876-E889 PolarHBondContact NE-OE2 3.32Å; R876-E889 IonicContact NH1-OE1 3.2Å; R876-E889 PolarHBondContact NH1-OE1 3.47Å; R876-E889 IonicContact NH1-OE2 2.82Å; R876-E889 PolarHBondContact NH1-OE2 3.39Å; R876-E889 IonicContact NH2-OE1 3.97Å; R876-E889 IonicContact NH2-OE2 2.72Å; R876-E889 PolarHBondContact NH2-OE2 2.83Å |
| 877 | A | 88.8 | Confident | 85.4 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 132.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | L829 F863 L888 P890 Y894 | L829-A877 HydrophobicContact CD1-CB 3.67Å; L829-A877 HydrophobicContact CD2-CB 4.29Å; F863-A877 HydrophobicContact CD1-CB 4.12Å; F863-A877 HydrophobicContact CE1-CB 4.27Å; A877-L888 HydrophobicContact CB-CB 3.99Å; A877-L888 PolarHBondContact N-O 2.78Å; A877-L888 VanDerWaalsContact N-O 3.12Å; A877-L888 PolarHBondContact O-N 3.44Å; A877-P890 HydrophobicContact CB-CG 3.9Å; A877-Y894 HydrophobicContact CB-CD1 3.88Å; A877-Y894 HydrophobicContact CB-CE1 3.64Å |
| 878 | L | 91.2 | Very high | 85.9 | Confident | 9 Ų | 9 | 44 Ų | 44 | 5% | 0.047 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 124.8 | 175.8 | -175.2 | 70.5 | 0 | 0 | 0 | 108.5 | S861 A862 I880 V885 L930 L932 | S861-L878 CarbonylContact C-O 3.5Å; S861-L878 VanDerWaalsContact CA-O 3.28Å; S861-L878 WeakPolarHBondContact CA-O 3.44Å; A862-L878 PolarHBondContact N-O 2.94Å; A862-L878 PolarHBondContact O-N 2.88Å; L878-I880 HydrophobicContact CD1-CG1 4.46Å; L878-I880 HydrophobicContact CD2-CD1 4.01Å; L878-I880 HydrophobicContact CD2-CG1 4.17Å; L878-I880 HydrophobicContact CG-CD1 4.42Å; L878-I880 HydrophobicContact CG-CG1 4.04Å; L878-V885 HydrophobicContact CD1-CG1 3.55Å; L878-L930 HydrophobicContact CD1-CD2 4.4Å; L878-L930 HydrophobicContact CD2-CD1 4.25Å; L878-L930 HydrophobicContact CD2-CD2 3.79Å; L878-L932 HydrophobicContact CD2-CD2 4.48Å |
| 879 | L | 91.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 114.5 | 171.7 | 164.5 | 60.3 | 0 | 0 | 0 | 108.3 | F842 L849 V858 T881 V885 Y886 L888 | F842-L879 HydrophobicContact CE2-CB 4.32Å; F842-L879 HydrophobicContact CE2-CD2 4.19Å; F842-L879 HydrophobicContact CZ-CB 4.28Å; F842-L879 HydrophobicContact CZ-CD1 4.09Å; F842-L879 HydrophobicContact CZ-CD2 4.07Å; F842-L879 HydrophobicContact CZ-CG 4.36Å; L849-L879 HydrophobicContact CD1-CD2 4.31Å; V858-L879 HydrophobicContact CB-CD1 4.37Å; V858-L879 HydrophobicContact CG1-CD1 3.63Å; V858-L879 HydrophobicContact CG2-CD1 3.9Å; L879-T881 HydrophobicContact CD1-CG2 3.97Å; L879-T881 HydrophobicContact CD2-CG2 4.5Å; L879-T881 HydrophobicContact CG-CG2 4.04Å; L879-V885 CarbonylContact O-C 3.52Å; L879-V885 WeakPolarHBondContact O-CA 3.36Å; L879-Y886 HydrophobicContact CD2-CD2 4.04Å; L879-Y886 HydrophobicContact CG-CD2 4.03Å; L879-Y886 PolarHBondContact N-O 3.44Å; L879-Y886 VanDerWaalsContact N-O 3.13Å; L879-Y886 PolarHBondContact O-N 2.84Å; L879-L888 HydrophobicContact CB-CD1 4.29Å |
| 880 | I | 91.8 | Very high | 87.4 | Confident | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 120.8 | 175.8 | -54.3 | -177.2 | 0 | 0 | 0 | 107.9 | V859 F860 L878 V885 L902 L947 L951 | V859-I880 HydrophobicContact CB-CG2 4.09Å; V859-I880 HydrophobicContact CG1-CG2 4.42Å; V859-I880 PolarHBondContact N-O 2.8Å; F860-I880 HydrophobicContact CB-CB 4.35Å; F860-I880 HydrophobicContact CB-CD1 4.41Å; F860-I880 PolarHBondContact N-O 3.41Å; F860-I880 VanDerWaalsContact N-O 3.13Å; F860-I880 WeakPolarHBondContact O-CA 3.3Å; F860-I880 WeakPolarHBondContact O-CB 3.43Å; F860-I880 PolarHBondContact O-N 3.42Å; L878-I880 HydrophobicContact CD1-CG1 4.46Å; L878-I880 HydrophobicContact CD2-CD1 4.01Å; L878-I880 HydrophobicContact CD2-CG1 4.17Å; L878-I880 HydrophobicContact CG-CD1 4.42Å; L878-I880 HydrophobicContact CG-CG1 4.04Å; I880-V885 HydrophobicContact CG1-CG1 4.25Å; I880-V885 HydrophobicContact CG1-CG2 4.18Å; I880-V885 HydrophobicContact CG2-CG2 4.18Å; I880-L902 HydrophobicContact CG2-CD1 4.12Å; I880-L947 HydrophobicContact CD1-CD1 3.63Å; I880-L951 HydrophobicContact CD1-CD1 4.49Å; I880-L951 HydrophobicContact CG2-CD2 4.05Å |
| 881 | T | 91.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 177.4 | 174.7 | 75.4 | 0 | 0 | 0 | 0 | 109.9 | Y855 Q857 L879 K883 F884 Y886 | Y855-T881 WeakPolarHBondContact CB-OG1 3.46Å; Y855-T881 HydrophobicContact CD1-CG2 3.83Å; Y855-T881 HydrophobicContact CD2-CG2 3.45Å; Y855-T881 VanDerWaalsContact CD2-CG2 3.45Å; Y855-T881 HydrophobicContact CE1-CG2 3.82Å; Y855-T881 HydrophobicContact CE2-CG2 3.48Å; Y855-T881 VanDerWaalsContact CE2-CG2 3.48Å; Y855-T881 HydrophobicContact CG-CG2 3.63Å; Q857-T881 WeakPolarHBondContact O-CA 3.45Å; L879-T881 HydrophobicContact CD1-CG2 3.97Å; L879-T881 HydrophobicContact CD2-CG2 4.5Å; L879-T881 HydrophobicContact CG-CG2 4.04Å; T881-K883 PolarHBondContact O-N 2.89Å; T881-K883 VanDerWaalsContact O-N 3.14Å; T881-K883 PolarHBondContact OG1-N 3.47Å; T881-F884 PolarHBondContact N-O 2.8Å; T881-F884 PolarHBondContact OG1-N 2.93Å; T881-F884 PolarHBondContact OG1-O 3.11Å; T881-Y886 HydrophobicContact CG2-CD2 4.28Å; T881-Y886 HydrophobicContact CG2-CE2 3.96Å |
| 882 | D | 86.3 | Confident | 88.1 | Confident | 29 Ų | 29 | 42.9 Ų | 42.9 | 16% | 0.155 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -63.3 | -11.4 | 173.4 | 59.9 | -20.2 | 0 | 0 | 0 | 114.4 | Y855 G856 Q857 V859 R959 | Y855-D882 WeakPolarHBondContact CA-OD1 3.31Å; Y855-D882 VanDerWaalsContact CB-OD1 3.22Å; Y855-D882 WeakPolarHBondContact CB-OD1 3.35Å; G856-D882 WeakPolarHBondContact CA-OD2 3.46Å; G856-D882 VanDerWaalsContact N-CG 3.35Å; G856-D882 PolarHBondContact N-OD1 3.21Å; G856-D882 PolarHBondContact N-OD2 2.96Å; Q857-D882 HydrophobicContact CG-CB 4.33Å; Q857-D882 PolarHBondContact O-N 2.87Å; V859-D882 HydrophobicContact CG2-CB 4.49Å; D882-R959 PolarHBondContact O-NH2 3.41Å |
| 883 | K | 87.4 | Confident | 88.1 | Confident | 92 Ų | 92 | 42 Ų | 42 | 40% | 0.4 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -124.1 | -34.8 | -178.5 | -66 | -175.9 | 179.3 | 174.2 | 0 | 114.8 | G854 T881 L902 | G854-K883 PolarHBondContact O-NZ 2.79Å; T881-K883 PolarHBondContact O-N 2.89Å; T881-K883 VanDerWaalsContact O-N 3.14Å; T881-K883 PolarHBondContact OG1-N 3.47Å; K883-L902 WeakPolarHBondContact O-CB 3.37Å; K883-L902 PolarHBondContact O-N 3.12Å |
| 884 | F | 91.3 | Very high | 88.2 | Confident | 39 Ų | 39 | 40.7 Ų | 40.7 | 17% | 0.171 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 152.3 | -168.6 | -60.8 | -76 | 0 | 0 | 0 | 112.6 | D853 T881 Y886 R899 L900 | D853-F884 HydrophobicContact CB-CD2 4.27Å; D853-F884 HydrophobicContact CB-CE2 4.13Å; T881-F884 PolarHBondContact N-O 2.8Å; T881-F884 PolarHBondContact OG1-N 2.93Å; T881-F884 PolarHBondContact OG1-O 3.11Å; F884-Y886 HydrophobicContact CB-CD2 4.21Å; F884-Y886 HydrophobicContact CB-CE1 4.44Å; F884-Y886 HydrophobicContact CB-CE2 3.53Å; F884-Y886 VanDerWaalsContact CD2-OH 3.31Å; F884-Y886 WeakPolarHBondContact CD2-OH 3.45Å; F884-Y886 HydrophobicContact CG-CE2 4.45Å; F884-R899 HydrophobicContact CB-CG 4.49Å; F884-R899 HydrophobicContact CD1-CG 4.07Å; F884-R899 HydrophobicContact CG-CG 4.38Å; F884-L900 CarbonylContact C-O 3.59Å; F884-L900 WeakPolarHBondContact CA-O 3.41Å |
| 885 | V | 90.7 | Very high | 88.1 | Confident | 5 Ų | 5 | 45.8 Ų | 45.8 | 3% | 0.03 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 115.2 | 167.3 | -179.1 | 0 | 0 | 0 | 0 | 108.6 | L878 L879 I880 L900 L902 F905 | L878-V885 HydrophobicContact CD1-CG1 3.55Å; L879-V885 CarbonylContact O-C 3.52Å; L879-V885 WeakPolarHBondContact O-CA 3.36Å; I880-V885 HydrophobicContact CG1-CG1 4.25Å; I880-V885 HydrophobicContact CG1-CG2 4.18Å; I880-V885 HydrophobicContact CG2-CG2 4.18Å; V885-L900 HydrophobicContact CB-CB 4.32Å; V885-L900 PolarHBondContact N-O 2.9Å; V885-L900 PolarHBondContact O-N 3.26Å; V885-L902 HydrophobicContact CG2-CD1 3.69Å; V885-F905 HydrophobicContact CB-CE2 3.77Å; V885-F905 HydrophobicContact CB-CZ 3.87Å; V885-F905 HydrophobicContact CG1-CZ 4.16Å; V885-F905 HydrophobicContact CG2-CD2 4.13Å; V885-F905 HydrophobicContact CG2-CE2 3.35Å; V885-F905 HydrophobicContact CG2-CZ 3.74Å |
| 886 | Y | 91.1 | Very high | 88.1 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 133.9 | 178.3 | -60 | -89.1 | 0 | 0 | 0 | 111 | L849 D853 Y855 L879 T881 F884 V896 R899 | L849-Y886 HydrophobicContact CD1-CD1 4.22Å; L849-Y886 HydrophobicContact CD1-CE1 4.43Å; L849-Y886 HydrophobicContact CD1-CG 4.39Å; L849-Y886 HydrophobicContact CD2-CE1 4.24Å; D853-Y886 WeakPolarHBondContact CB-OH 3.16Å; D853-Y886 VanDerWaalsContact CG-OH 3.25Å; D853-Y886 WeakPolarHBondContact OD2-CE1 3.3Å; D853-Y886 PolarHBondContact OD2-OH 3.12Å; Y855-Y886 HydrophobicContact CD1-CE2 4.34Å; Y855-Y886 HydrophobicContact CE1-CE2 4.24Å; L879-Y886 HydrophobicContact CD2-CD2 4.04Å; L879-Y886 HydrophobicContact CG-CD2 4.03Å; L879-Y886 PolarHBondContact N-O 3.44Å; L879-Y886 VanDerWaalsContact N-O 3.13Å; L879-Y886 PolarHBondContact O-N 2.84Å; T881-Y886 HydrophobicContact CG2-CD2 4.28Å; T881-Y886 HydrophobicContact CG2-CE2 3.96Å; F884-Y886 HydrophobicContact CB-CD2 4.21Å; F884-Y886 HydrophobicContact CB-CE1 4.44Å; F884-Y886 HydrophobicContact CB-CE2 3.53Å; F884-Y886 VanDerWaalsContact CD2-OH 3.31Å; F884-Y886 WeakPolarHBondContact CD2-OH 3.45Å; F884-Y886 HydrophobicContact CG-CE2 4.45Å; Y886-V896 HydrophobicContact CD1-CG1 4.26Å; Y886-R899 HydrophobicContact CD1-CB 4.28Å; Y886-R899 HydrophobicContact CD1-CG 4.05Å; Y886-R899 HydrophobicContact CE1-CB 4.26Å; Y886-R899 HydrophobicContact CE1-CG 3.62Å |
| 887 | K | 90.1 | Very high | 88 | Confident | 40 Ų | 40 | 48.2 Ų | 48.2 | 17% | 0.174 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 115.8 | 166.7 | -176.3 | -171.2 | 178.4 | -173.6 | 0 | 108.8 | K866 L897 K898 | K866-K887 HydrophobicContact CD-CD 4.4Å; K887-L897 HydrophobicContact CD-CB 4.35Å; K887-L897 HydrophobicContact CD-CD1 4.32Å; K887-L897 HydrophobicContact CG-CB 4.4Å; K887-L897 HydrophobicContact CG-CD1 4.39Å; K887-L897 WeakPolarHBondContact O-CB 3.46Å; K887-L897 PolarHBondContact O-N 3.2Å; K887-K898 HydrophobicContact CB-CB 4.11Å; K887-K898 PolarHBondContact N-O 3.41Å; K887-K898 PolarHBondContact O-N 3.32Å |
| 888 | L | 90.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 153.2 | -176 | -50.5 | 177.5 | 0 | 0 | 0 | 111.4 | F842 L849 R876 A877 L879 P890 Y894 V896 | F842-L888 HydrophobicContact CD2-CD1 4.14Å; F842-L888 HydrophobicContact CE2-CD1 3.72Å; L849-L888 HydrophobicContact CD1-CD2 4.37Å; R876-L888 VanDerWaalsContact CD-O 3.3Å; R876-L888 WeakPolarHBondContact CD-O 3.48Å; A877-L888 HydrophobicContact CB-CB 3.99Å; A877-L888 PolarHBondContact N-O 2.78Å; A877-L888 VanDerWaalsContact N-O 3.12Å; A877-L888 PolarHBondContact O-N 3.44Å; L879-L888 HydrophobicContact CB-CD1 4.29Å; L888-P890 WeakPolarHBondContact O-CD 3.34Å; L888-Y894 HydrophobicContact CB-CD1 4.11Å; L888-Y894 HydrophobicContact CD1-CD1 4.08Å; L888-V896 HydrophobicContact CD2-CB 4.18Å; L888-V896 HydrophobicContact CD2-CG1 4.45Å; L888-V896 HydrophobicContact CD2-CG2 3.69Å |
| 889 | E | 89 | Confident | 87.8 | Confident | 31 Ų | 31 | 58 Ų | 58 | 15% | 0.145 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 100.4 | 173.3 | -172.1 | 78.5 | -122.2 | 0 | 0 | 110.5 | R876 K891 K892 Y894 K895 L897 | R876-E889 VanDerWaalsContact CZ-CD 3.43Å; R876-E889 IonicContact CZ-OE1 2.93Å; R876-E889 VanDerWaalsContact CZ-OE1 3.28Å; R876-E889 IonicContact CZ-OE2 3.14Å; R876-E889 IonicContact NE-OE2 3Å; R876-E889 PolarHBondContact NE-OE2 3.32Å; R876-E889 IonicContact NH1-OE1 3.2Å; R876-E889 PolarHBondContact NH1-OE1 3.47Å; R876-E889 IonicContact NH1-OE2 2.82Å; R876-E889 PolarHBondContact NH1-OE2 3.39Å; R876-E889 IonicContact NH2-OE1 3.97Å; R876-E889 IonicContact NH2-OE2 2.72Å; R876-E889 PolarHBondContact NH2-OE2 2.83Å; E889-K891 PolarHBondContact O-N 3.03Å; E889-K892 HydrophobicContact CB-CB 4.42Å; E889-K892 HydrophobicContact CG-CB 4.07Å; E889-K892 HydrophobicContact CG-CD 4.42Å; E889-K892 HydrophobicContact CG-CG 4.1Å; E889-K892 PolarHBondContact O-N 3.36Å; E889-K892 VanDerWaalsContact O-N 3.16Å; E889-Y894 VanDerWaalsContact O-CA 3.26Å; E889-Y894 WeakPolarHBondContact O-CA 3.3Å; E889-Y894 PolarHBondContact O-N 3.02Å; E889-K895 PolarHBondContact N-O 3.39Å; E889-L897 HydrophobicContact CB-CD1 4.02Å; E889-L897 HydrophobicContact CB-CD2 4.14Å; E889-L897 HydrophobicContact CB-CG 4.06Å; E889-L897 WeakPolarHBondContact OE2-CD1 3.39Å |
| 890 | P | 83.8 | Confident | 87.8 | Confident | 24 Ų | 24 | 58.8 Ų | 58.8 | 16% | 0.156 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -58.6 | -43.7 | -173.7 | -25.4 | 34.2 | 0 | 0 | 0 | 113.4 | F863 A877 L888 K892 Q893 Y894 | F863-P890 HydrophobicContact CD1-CG 4.1Å; F863-P890 HydrophobicContact CE1-CB 3.99Å; F863-P890 HydrophobicContact CE1-CG 3.83Å; A877-P890 HydrophobicContact CB-CG 3.9Å; L888-P890 WeakPolarHBondContact O-CD 3.34Å; P890-K892 PolarHBondContact O-N 3.3Å; P890-K892 VanDerWaalsContact O-N 3.12Å; P890-Q893 PolarHBondContact O-N 3.22Å; P890-Y894 HydrophobicContact CB-CE1 4.16Å; P890-Y894 HydrophobicContact CG-CE1 4.31Å |
| 891 | K | 83.6 | Confident | 87.7 | Confident | 184 Ų | 184 | 61.8 Ų | 61.8 | 80% | 0.8 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -64.6 | -17.1 | -178.3 | -64.5 | -174.1 | 179.2 | -176.3 | 0 | 114.3 | E889 | E889-K891 PolarHBondContact O-N 3.03Š|
| 892 | K | 82.7 | Confident | 87.4 | Confident | 153 Ų | 153 | 62 Ų | 62 | 67% | 0.665 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -112.3 | 49.3 | 176.9 | -65.2 | -170 | 177.3 | -172 | 0 | 110.7 | E889 P890 Y894 K895 | E889-K892 HydrophobicContact CB-CB 4.42Å; E889-K892 HydrophobicContact CG-CB 4.07Å; E889-K892 HydrophobicContact CG-CD 4.42Å; E889-K892 HydrophobicContact CG-CG 4.1Å; E889-K892 PolarHBondContact O-N 3.36Å; E889-K892 VanDerWaalsContact O-N 3.16Å; P890-K892 PolarHBondContact O-N 3.3Å; P890-K892 VanDerWaalsContact O-N 3.12Å; K892-Y894 VanDerWaalsContact C-N 3.27Å; K892-Y894 PolarHBondContact O-N 2.97Å; K892-K895 HydrophobicContact CB-CB 4.3Å; K892-K895 WeakPolarHBondContact O-CB 3.13Å; K892-K895 PolarHBondContact O-N 3.34Å; K892-K895 VanDerWaalsContact O-N 3.09Å |
| 893 | Q | 81.1 | Confident | 87.4 | Confident | 130 Ų | 130 | 65.4 Ų | 65.4 | 61% | 0.607 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.1 | 48.5 | -177.9 | -62.2 | -171.9 | -3.5 | 0 | 0 | 112.8 | P890 K895 | P890-Q893 PolarHBondContact O-N 3.22Å; Q893-K895 VanDerWaalsContact C-N 3.29Å; Q893-K895 PolarHBondContact O-N 3.01Å |
| 894 | Y | 84.5 | Confident | 87.4 | Confident | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.008 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 32.7 | 178.6 | -64.4 | -84.8 | 0 | 0 | 0 | 115.7 | T838 A841 F842 F863 A877 L888 E889 P890 K892 V896 | T838-Y894 VanDerWaalsContact CB-OH 3.22Å; T838-Y894 WeakPolarHBondContact CB-OH 3.37Å; T838-Y894 WeakPolarHBondContact O-CE2 3.17Å; T838-Y894 PolarHBondContact OG1-OH 3.12Å; A841-Y894 HydrophobicContact CB-CD2 4.18Å; A841-Y894 HydrophobicContact CB-CE2 4.23Å; F842-Y894 HydrophobicContact CB-CD2 4.07Å; F842-Y894 HydrophobicContact CB-CE1 4.23Å; F842-Y894 HydrophobicContact CB-CE2 3.72Å; F842-Y894 HydrophobicContact CB-CG 4.45Å; F842-Y894 AromaticContact CD2-CD1 3.81Å; F842-Y894 HydrophobicContact CD2-CD1 3.81Å; F842-Y894 AromaticContact CD2-CE1 3.87Å; F842-Y894 HydrophobicContact CD2-CE1 3.87Å; F842-Y894 HydrophobicContact CD2-CG 4.2Å; F842-Y894 HydrophobicContact CG-CE1 4.43Å; F863-Y894 HydrophobicContact CE1-CE1 4.09Å; F863-Y894 WeakPolarHBondContact CE1-OH 3.37Å; F863-Y894 WeakPolarHBondContact CZ-OH 3.34Å; A877-Y894 HydrophobicContact CB-CD1 3.88Å; A877-Y894 HydrophobicContact CB-CE1 3.64Å; L888-Y894 HydrophobicContact CB-CD1 4.11Å; L888-Y894 HydrophobicContact CD1-CD1 4.08Å; E889-Y894 VanDerWaalsContact O-CA 3.26Å; E889-Y894 WeakPolarHBondContact O-CA 3.3Å; E889-Y894 PolarHBondContact O-N 3.02Å; P890-Y894 HydrophobicContact CB-CE1 4.16Å; P890-Y894 HydrophobicContact CG-CE1 4.31Å; K892-Y894 VanDerWaalsContact C-N 3.27Å; K892-Y894 PolarHBondContact O-N 2.97Å; Y894-V896 PolarHBondContact O-N 3.04Å |
| 895 | K | 86.1 | Confident | 87.3 | Confident | 136 Ų | 136 | 60.8 Ų | 60.8 | 59% | 0.591 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -52.3 | 129.3 | 173.3 | -175.7 | 173.8 | -177.5 | 172.5 | 0 | 111.4 | E889 K892 Q893 L897 | E889-K895 PolarHBondContact N-O 3.39Å; K892-K895 HydrophobicContact CB-CB 4.3Å; K892-K895 WeakPolarHBondContact O-CB 3.13Å; K892-K895 PolarHBondContact O-N 3.34Å; K892-K895 VanDerWaalsContact O-N 3.09Å; Q893-K895 VanDerWaalsContact C-N 3.29Å; Q893-K895 PolarHBondContact O-N 3.01Å; K895-L897 PolarHBondContact O-N 3.46Å |
| 896 | V | 87.9 | Confident | 87.3 | Confident | 56 Ų | 56 | 64.3 Ų | 64.3 | 34% | 0.339 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 121.6 | 176.5 | -175.1 | 0 | 0 | 0 | 0 | 110.1 | L849 Y886 L888 Y894 | L849-V896 HydrophobicContact CD1-CG2 4.05Å; L849-V896 HydrophobicContact CD2-CG2 3.76Å; L849-V896 HydrophobicContact CG-CG2 4.46Å; Y886-V896 HydrophobicContact CD1-CG1 4.26Å; L888-V896 HydrophobicContact CD2-CB 4.18Å; L888-V896 HydrophobicContact CD2-CG1 4.45Å; L888-V896 HydrophobicContact CD2-CG2 3.69Å; Y894-V896 PolarHBondContact O-N 3.04Å |
| 897 | L | 86.9 | Confident | 87.2 | Confident | 79 Ų | 79 | 64.6 Ų | 64.6 | 41% | 0.414 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | -39.5 | 177.3 | -61.7 | 178.6 | 0 | 0 | 0 | 112.7 | K887 E889 K895 | K887-L897 HydrophobicContact CD-CB 4.35Å; K887-L897 HydrophobicContact CD-CD1 4.32Å; K887-L897 HydrophobicContact CG-CB 4.4Å; K887-L897 HydrophobicContact CG-CD1 4.39Å; K887-L897 WeakPolarHBondContact O-CB 3.46Å; K887-L897 PolarHBondContact O-N 3.2Å; E889-L897 HydrophobicContact CB-CD1 4.02Å; E889-L897 HydrophobicContact CB-CD2 4.14Å; E889-L897 HydrophobicContact CB-CG 4.06Å; E889-L897 WeakPolarHBondContact OE2-CD1 3.39Å; K895-L897 PolarHBondContact O-N 3.46Å |
| 898 | K | 87.4 | Confident | 87.3 | Confident | 79 Ų | 79 | 62.9 Ų | 62.9 | 34% | 0.343 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 135.3 | 179.8 | -156.8 | 178.5 | -171.9 | -169.9 | 0 | 108.2 | K887 L900 D926 | K887-K898 HydrophobicContact CB-CB 4.11Å; K887-K898 PolarHBondContact N-O 3.41Å; K887-K898 PolarHBondContact O-N 3.32Å; K898-L900 HydrophobicContact CD-CD1 4.41Å; K898-L900 HydrophobicContact CD-CD2 3.87Å; K898-L900 HydrophobicContact CD-CG 4.26Å; K898-L900 HydrophobicContact CG-CD2 4.04Å; K898-L900 HydrophobicContact CG-CG 4.26Å; K898-D926 IonicContact NZ-OD2 2.68Å; K898-D926 PolarHBondContact NZ-OD2 2.87Å |
| 899 | R | 89.9 | Confident | 87.4 | Confident | 135 Ų | 135 | 63.2 Ų | 63.2 | 51% | 0.509 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 123.7 | 170.9 | -178.4 | -177 | 74.6 | 172.5 | 4.9 | 107.8 | D853 F884 Y886 | D853-R899 IonicContact OD1-CZ 3.32Å; D853-R899 IonicContact OD1-NH1 3.19Å; D853-R899 PolarHBondContact OD1-NH1 2.9Å; F884-R899 HydrophobicContact CB-CG 4.49Å; F884-R899 HydrophobicContact CD1-CG 4.07Å; F884-R899 HydrophobicContact CG-CG 4.38Å; Y886-R899 HydrophobicContact CD1-CB 4.28Å; Y886-R899 HydrophobicContact CD1-CG 4.05Å; Y886-R899 HydrophobicContact CE1-CB 4.26Å; Y886-R899 HydrophobicContact CE1-CG 3.62Å |
| 900 | L | 90.3 | Very high | 87.6 | Confident | 17 Ų | 17 | 61.7 Ų | 61.7 | 9% | 0.089 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 129.2 | -178.7 | -63.1 | 174.8 | 0 | 0 | 0 | 109.6 | F884 V885 K898 F905 M922 V928 | F884-L900 CarbonylContact C-O 3.59Å; F884-L900 WeakPolarHBondContact CA-O 3.41Å; V885-L900 HydrophobicContact CB-CB 4.32Å; V885-L900 PolarHBondContact N-O 2.9Å; V885-L900 PolarHBondContact O-N 3.26Å; K898-L900 HydrophobicContact CD-CD1 4.41Å; K898-L900 HydrophobicContact CD-CD2 3.87Å; K898-L900 HydrophobicContact CD-CG 4.26Å; K898-L900 HydrophobicContact CG-CD2 4.04Å; K898-L900 HydrophobicContact CG-CG 4.26Å; L900-F905 HydrophobicContact CB-CE2 4.15Å; L900-F905 HydrophobicContact CB-CZ 4.22Å; L900-F905 HydrophobicContact CD1-CZ 4.01Å; L900-M922 HydrophobicContact CB-CE 4.28Å; L900-M922 HydrophobicContact CD1-CE 3.97Å; L900-M922 HydrophobicContact CD1-SD 3.92Å; L900-M922 HydrophobicContact CD2-CE 3.75Å; L900-M922 HydrophobicContact CG-CE 4.21Å; L900-V928 HydrophobicContact CD1-CG2 3.9Å |
| 901 | P | 89.1 | Confident | 87.8 | Confident | 65 Ų | 65 | 60.9 Ų | 60.9 | 42% | 0.422 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 135.6 | 172.3 | -21 | 33.2 | 0 | 0 | 0 | 111.3 | D903 S904 | P901-D903 PolarHBondContact O-N 3.46Å; P901-S904 WeakPolarHBondContact O-CB 3.42Å; P901-S904 PolarHBondContact O-N 3.16Å; P901-S904 VanDerWaalsContact O-N 3.08Å; P901-S904 PolarHBondContact O-OG 3.04Å |
| 902 | L | 86.6 | Confident | 87.9 | Confident | 4 Ų | 4 | 54.1 Ų | 54.1 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -62.2 | -28.1 | 177.8 | -168.7 | 66.6 | 0 | 0 | 0 | 111.6 | I880 K883 V885 S904 F905 L951 F955 | I880-L902 HydrophobicContact CG2-CD1 4.12Å; K883-L902 WeakPolarHBondContact O-CB 3.37Å; K883-L902 PolarHBondContact O-N 3.12Å; V885-L902 HydrophobicContact CG2-CD1 3.69Å; L902-S904 PolarHBondContact O-N 3.16Å; L902-F905 HydrophobicContact CD1-CD2 4.17Å; L902-F905 WeakPolarHBondContact O-CD2 3.2Å; L902-F905 PolarHBondContact O-N 2.97Å; L902-F905 VanDerWaalsContact O-N 3.14Å; L902-L951 HydrophobicContact CD1-CD2 4.46Å; L902-F955 HydrophobicContact CD2-CE2 4.36Å; L902-F955 HydrophobicContact CG-CE2 4.26Å; L902-F955 HydrophobicContact CG-CZ 4.4Å |
| 903 | D | 85 | Confident | 87.9 | Confident | 102 Ų | 102 | 48.3 Ų | 48.3 | 55% | 0.545 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -68.1 | -16.1 | 178 | -61.6 | -10.3 | 0 | 0 | 0 | 113.3 | P901 F905 R959 | P901-D903 PolarHBondContact O-N 3.46Å; D903-F905 PolarHBondContact O-N 2.72Å; D903-R959 IonicContact OD1-CZ 2.79Å; D903-R959 IonicContact OD1-NE 3.12Å; D903-R959 IonicContact OD1-NH1 3.33Å; D903-R959 PolarHBondContact OD1-NH1 3.33Å; D903-R959 IonicContact OD1-NH2 3.42Å; D903-R959 PolarHBondContact OD1-NH2 3.24Å; D903-R959 IonicContact OD2-CZ 2.72Å; D903-R959 IonicContact OD2-NH1 3.21Å; D903-R959 PolarHBondContact OD2-NH1 3.18Å; D903-R959 IonicContact OD2-NH2 3.2Å |
| 904 | S | 88.4 | Confident | 87.8 | Confident | 19 Ų | 19 | 45.8 Ų | 45.8 | 13% | 0.133 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -78.4 | -8.7 | 175.3 | 67.8 | 0 | 0 | 0 | 0 | 113.3 | P901 L902 M922 S923 | P901-S904 WeakPolarHBondContact O-CB 3.42Å; P901-S904 PolarHBondContact O-N 3.16Å; P901-S904 VanDerWaalsContact O-N 3.08Å; P901-S904 PolarHBondContact O-OG 3.04Å; L902-S904 PolarHBondContact O-N 3.16Å; S904-M922 CarbonylContact O-C 3.56Å; S904-M922 WeakPolarHBondContact O-CA 3.32Å; S904-M922 WeakPolarHBondContact OG-CE 3.49Å; S904-S923 PolarHBondContact O-N 2.72Å; S904-S923 PolarHBondContact O-OG 3.46Å |
| 905 | F | 88.9 | Confident | 87.8 | Confident | 15 Ų | 15 | 46.6 Ų | 46.6 | 7% | 0.066 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 124.8 | 179.8 | -65 | -87.4 | 0 | 0 | 0 | 111.3 | V885 L900 L902 D903 L920 H921 M922 V928 | V885-F905 HydrophobicContact CB-CE2 3.77Å; V885-F905 HydrophobicContact CB-CZ 3.87Å; V885-F905 HydrophobicContact CG1-CZ 4.16Å; V885-F905 HydrophobicContact CG2-CD2 4.13Å; V885-F905 HydrophobicContact CG2-CE2 3.35Å; V885-F905 HydrophobicContact CG2-CZ 3.74Å; L900-F905 HydrophobicContact CB-CE2 4.15Å; L900-F905 HydrophobicContact CB-CZ 4.22Å; L900-F905 HydrophobicContact CD1-CZ 4.01Å; L902-F905 HydrophobicContact CD1-CD2 4.17Å; L902-F905 WeakPolarHBondContact O-CD2 3.2Å; L902-F905 PolarHBondContact O-N 2.97Å; L902-F905 VanDerWaalsContact O-N 3.14Å; D903-F905 PolarHBondContact O-N 2.72Å; F905-L920 HydrophobicContact CD1-CB 3.61Å; F905-L920 HydrophobicContact CE1-CB 3.52Å; F905-L920 HydrophobicContact CE1-CD1 4Å; F905-L920 HydrophobicContact CE1-CG 4.39Å; F905-H921 CarbonylContact C-O 3.58Å; F905-H921 WeakPolarHBondContact CA-O 3.4Å; F905-M922 HydrophobicContact CD1-CG 3.68Å; F905-M922 HydrophobicContact CE1-CG 3.61Å; F905-M922 HydrophobicContact CE1-SD 3.99Å; F905-M922 HydrophobicContact CG-CG 4.41Å; F905-M922 HydrophobicContact CZ-CE 4.37Å; F905-M922 HydrophobicContact CZ-CG 4.29Å; F905-M922 HydrophobicContact CZ-SD 4.2Å; F905-V928 HydrophobicContact CE1-CG2 4.3Å |
| 906 | T | 89.9 | Confident | 87.8 | Confident | 79 Ų | 79 | 40.5 Ų | 40.5 | 49% | 0.485 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | -14.1 | -174.3 | 53.8 | 0 | 0 | 0 | 0 | 113.6 | H921 P964 | T906-H921 PolarHBondContact N-O 2.91Å; T906-P964 WeakPolarHBondContact O-CD 3.29Å |
| 907 | G | 90.7 | Very high | 87.9 | Confident | 7 Ų | 7 | 37.9 Ų | 37.9 | 7% | 0.072 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177 | 174 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | H921 P964 | G907-H921 PolarHBondContact O-N 2.67Å; G907-P964 WeakPolarHBondContact CA-O 3.44Å |
| 908 | L | 92.1 | Very high | 88.1 | Confident | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.016 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 138.6 | 174.9 | 160.4 | 149.3 | 0 | 0 | 0 | 109.4 | V910 V918 A919 L920 L947 V948 L951 P964 V965 K966 | L908-V910 HydrophobicContact CD1-CG1 4.49Å; L908-V910 HydrophobicContact CD2-CG1 3.69Å; L908-V910 HydrophobicContact CD2-CG2 4.47Å; L908-V910 HydrophobicContact CG-CG1 4.19Å; L908-V918 HydrophobicContact CD1-CG1 3.46Å; L908-V918 VanDerWaalsContact CD1-CG1 3.46Å; L908-V918 HydrophobicContact CG-CG1 4.07Å; L908-A919 WeakPolarHBondContact CA-O 3.34Å; L908-L920 HydrophobicContact CB-CD2 4.35Å; L908-L920 HydrophobicContact CD1-CD2 3.79Å; L908-L920 HydrophobicContact CG-CD2 4.45Å; L908-L947 HydrophobicContact CD1-CD2 4.46Å; L908-V948 HydrophobicContact CD1-CG2 4.12Å; L908-V948 HydrophobicContact CD2-CG2 3.5Å; L908-V948 VanDerWaalsContact CD2-CG2 3.5Å; L908-L951 HydrophobicContact CD1-CD1 4.3Å; L908-P964 PolarHBondContact N-O 3.49Å; L908-V965 HydrophobicContact CD2-CB 4.45Å; L908-V965 HydrophobicContact CD2-CG1 3.84Å; L908-V965 HydrophobicContact CD2-CG2 4.22Å; L908-V965 WeakPolarHBondContact O-CA 3.41Å; L908-K966 PolarHBondContact O-N 2.92Å |
| 909 | S | 92.3 | Very high | 88.3 | Confident | 7 Ų | 7 | 30.3 Ų | 30.3 | 5% | 0.049 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 136.1 | 171 | -69.1 | 0 | 0 | 0 | 0 | 110.2 | A919 H921 K966 | S909-A919 PolarHBondContact N-O 3.13Å; S909-A919 PolarHBondContact O-N 2.9Å; S909-H921 WeakPolarHBondContact CB-NE2 3.43Å; S909-H921 PolarHBondContact OG-NE2 2.8Å; S909-K966 VanDerWaalsContact CA-O 3.29Å; S909-K966 WeakPolarHBondContact CA-O 3.36Å |
| 910 | V | 91.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 165.9 | 177.6 | -68 | 0 | 0 | 0 | 0 | 108.9 | L811 L908 V918 V944 V948 K966 V967 C968 | L811-V910 HydrophobicContact CD2-CG2 4.35Å; L908-V910 HydrophobicContact CD1-CG1 4.49Å; L908-V910 HydrophobicContact CD2-CG1 3.69Å; L908-V910 HydrophobicContact CD2-CG2 4.47Å; L908-V910 HydrophobicContact CG-CG1 4.19Å; V910-V918 HydrophobicContact CG1-CG1 4.46Å; V910-V918 HydrophobicContact CG1-CG2 4.2Å; V910-V944 HydrophobicContact CB-CG1 3.96Å; V910-V944 HydrophobicContact CG1-CG1 3.38Å; V910-V948 HydrophobicContact CG1-CG2 4.24Å; V910-K966 PolarHBondContact N-O 2.87Å; V910-V967 HydrophobicContact CG2-CG2 4.06Å; V910-V967 CarbonylContact O-C 3.51Å; V910-V967 WeakPolarHBondContact O-CA 3.35Å; V910-C968 PolarHBondContact O-N 3Å |
| 911 | T | 88.9 | Confident | 88.4 | Confident | 6 Ų | 6 | 24.9 Ų | 24.9 | 4% | 0.037 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 164.8 | 173.6 | 56.4 | 0 | 0 | 0 | 0 | 111.6 | R815 G913 D915 M917 C968 L972 V985 | R815-T911 PolarHBondContact NH1-O 2.79Å; R815-T911 PolarHBondContact NH1-OG1 3.33Å; T911-G913 VanDerWaalsContact C-N 3.27Å; T911-D915 WeakPolarHBondContact CB-OD2 3.36Å; T911-D915 PolarHBondContact OG1-OD1 3.02Å; T911-D915 PolarHBondContact OG1-OD2 3.36Å; T911-M917 HydrophobicContact CG2-CE 3.44Å; T911-M917 VanDerWaalsContact CG2-CE 3.44Å; T911-C968 CarbonylContact C-O 3.58Å; T911-C968 WeakPolarHBondContact CA-O 3.42Å; T911-L972 HydrophobicContact CG2-CD1 4.14Å; T911-V985 HydrophobicContact CG2-CG2 4.2Å |
| 912 | S | 85.9 | Confident | 88.4 | Confident | 42 Ų | 42 | 22.3 Ų | 22.3 | 29% | 0.294 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -78.8 | -9.4 | 168.6 | 59.6 | 0 | 0 | 0 | 0 | 113.6 | E814 C968 R969 | E814-S912 VanDerWaalsContact O-CB 3.26Å; E814-S912 WeakPolarHBondContact O-CB 3.45Å; S912-C968 PolarHBondContact N-O 2.81Å; S912-R969 WeakPolarHBondContact OG-CA 3.47Å |
| 913 | G | 82.5 | Confident | 88.5 | Confident | 32 Ų | 32 | 26.1 Ų | 26.1 | 33% | 0.33 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -80 | 176 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R815 T911 D915 | R815-G913 PolarHBondContact NE-O 3.25Å; R815-G913 PolarHBondContact NH1-O 2.98Å; R815-G913 PolarHBondContact NH2-O 2.97Å; T911-G913 VanDerWaalsContact C-N 3.27Å; G913-D915 PolarHBondContact O-N 3.16Å |
| 914 | A | 79.8 | Confident | 88.5 | Confident | 77 Ų | 77 | 24.8 Ų | 24.8 | 64% | 0.636 | 17% | 0.171 | S | C | * | . | S | Bend | trans | -82.7 | 6.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q916 | A914-Q916 PolarHBondContact O-NE2 2.54Å; A914-Q916 VanDerWaalsContact O-NE2 3.12Å |
| 915 | D | 83.5 | Confident | 88.3 | Confident | 19 Ų | 19 | 28.7 Ų | 28.7 | 10% | 0.102 | 19% | 0.187 | C | C | . | . | trans | -66.1 | 147.9 | 176.2 | 63.8 | 94.9 | 0 | 0 | 0 | 110.5 | R815 T911 G913 M917 V985 V1007 | R815-D915 PolarHBondContact NH2-O 2.52Å; T911-D915 WeakPolarHBondContact CB-OD2 3.36Å; T911-D915 PolarHBondContact OG1-OD1 3.02Å; T911-D915 PolarHBondContact OG1-OD2 3.36Å; G913-D915 PolarHBondContact O-N 3.16Å; D915-M917 PolarHBondContact O-N 3.12Å; D915-M917 WeakPolarHBondContact OD1-CB 3.35Å; D915-M917 PolarHBondContact OD1-N 3.36Å; D915-V985 HydrophobicContact CB-CG1 4.15Å; D915-V985 HydrophobicContact CB-CG2 4.46Å; D915-V1007 HydrophobicContact CB-CG1 4.39Å | ||
| 916 | Q | 87.1 | Confident | 88.2 | Confident | 8 Ų | 8 | 30.2 Ų | 30.2 | 4% | 0.037 | 20% | 0.196 | C | C | . | . | trans | -89.2 | 24.5 | -177.6 | -62.2 | -55.9 | -67.3 | 0 | 0 | 111.7 | A914 C931 L932 Q934 D942 | A914-Q916 PolarHBondContact O-NE2 2.54Å; A914-Q916 VanDerWaalsContact O-NE2 3.12Å; Q916-C931 CarbonylContact O-C 3.54Å; Q916-C931 WeakPolarHBondContact O-CA 3.34Å; Q916-L932 HydrophobicContact CB-CB 4.09Å; Q916-L932 WeakPolarHBondContact CB-O 3.26Å; Q916-L932 PolarHBondContact O-N 3.02Å; Q916-Q934 HydrophobicContact CG-CG 3.96Å; Q916-D942 PolarHBondContact NE2-OD2 2.98Å; Q916-D942 VanDerWaalsContact NE2-OD2 3.08Å | ||
| 917 | M | 89.4 | Confident | 88.1 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 134.2 | -177.2 | -166.3 | 168.3 | 55.4 | 0 | 0 | 111.2 | T911 D915 L929 L972 V983 V985 F996 L1005 | T911-M917 HydrophobicContact CG2-CE 3.44Å; T911-M917 VanDerWaalsContact CG2-CE 3.44Å; D915-M917 PolarHBondContact O-N 3.12Å; D915-M917 WeakPolarHBondContact OD1-CB 3.35Å; D915-M917 PolarHBondContact OD1-N 3.36Å; M917-L929 HydrophobicContact CG-CD1 3.94Å; M917-L929 HydrophobicContact SD-CD1 4.04Å; M917-L972 HydrophobicContact CE-CB 4.11Å; M917-L972 HydrophobicContact CE-CD1 3.69Å; M917-L972 HydrophobicContact CG-CD1 4.37Å; M917-V983 HydrophobicContact CE-CG1 4.25Å; M917-V983 HydrophobicContact SD-CB 4.32Å; M917-V983 HydrophobicContact SD-CG1 3.47Å; M917-V983 WeakPolarHBondContact SD-CG1 3.27Å; M917-V985 HydrophobicContact CE-CG2 3.37Å; M917-V985 HydrophobicContact SD-CG2 4.31Å; M917-F996 HydrophobicContact SD-CE1 4.27Å; M917-L1005 HydrophobicContact CB-CD2 3.84Å; M917-L1005 HydrophobicContact CG-CD2 4.19Å; M917-L1005 HydrophobicContact SD-CB 4.19Å; M917-L1005 HydrophobicContact SD-CD2 3.98Å |
| 918 | V | 90.2 | Very high | 88 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 131.7 | 177.2 | -179.5 | 0 | 0 | 0 | 0 | 108.1 | L908 V910 L920 L930 L932 V944 L947 | L908-V918 HydrophobicContact CD1-CG1 3.46Å; L908-V918 VanDerWaalsContact CD1-CG1 3.46Å; L908-V918 HydrophobicContact CG-CG1 4.07Å; V910-V918 HydrophobicContact CG1-CG1 4.46Å; V910-V918 HydrophobicContact CG1-CG2 4.2Å; V918-L920 HydrophobicContact CG1-CD2 3.92Å; V918-L920 HydrophobicContact CG1-CG 4.26Å; V918-L930 HydrophobicContact CB-CD1 3.81Å; V918-L930 HydrophobicContact CB-CG 4.19Å; V918-L930 HydrophobicContact CG2-CD1 4.35Å; V918-L930 PolarHBondContact N-O 2.78Å; V918-L930 PolarHBondContact O-N 3.02Å; V918-L932 HydrophobicContact CG2-CD1 4.2Å; V918-L932 HydrophobicContact CG2-CG 4.42Å; V918-V944 HydrophobicContact CG2-CG1 4.17Å; V918-V944 HydrophobicContact CG2-CG2 3.98Å; V918-L947 HydrophobicContact CB-CD2 4.42Å; V918-L947 HydrophobicContact CG1-CD2 3.95Å; V918-L947 HydrophobicContact CG2-CD2 4Å |
| 919 | A | 91.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 119.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109 | L908 S909 L972 L974 | L908-A919 WeakPolarHBondContact CA-O 3.34Å; S909-A919 PolarHBondContact N-O 3.13Å; S909-A919 PolarHBondContact O-N 2.9Å; A919-L972 HydrophobicContact CB-CD1 4.41Å; A919-L972 HydrophobicContact CB-CD2 3.48Å; A919-L972 VanDerWaalsContact CB-CD2 3.48Å; A919-L974 HydrophobicContact CB-CD2 4.25Å |
| 920 | L | 91.1 | Very high | 87.7 | Confident | 7 Ų | 7 | 26.5 Ų | 26.5 | 4% | 0.037 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 114.5 | 172 | -57.1 | 175.2 | 0 | 0 | 0 | 108.3 | F905 L908 V918 D927 V928 L930 L951 | F905-L920 HydrophobicContact CD1-CB 3.61Å; F905-L920 HydrophobicContact CE1-CB 3.52Å; F905-L920 HydrophobicContact CE1-CD1 4Å; F905-L920 HydrophobicContact CE1-CG 4.39Å; L908-L920 HydrophobicContact CB-CD2 4.35Å; L908-L920 HydrophobicContact CD1-CD2 3.79Å; L908-L920 HydrophobicContact CG-CD2 4.45Å; V918-L920 HydrophobicContact CG1-CD2 3.92Å; V918-L920 HydrophobicContact CG1-CG 4.26Å; L920-D927 WeakPolarHBondContact O-CA 3.34Å; L920-V928 HydrophobicContact CB-CB 4.26Å; L920-V928 PolarHBondContact N-O 2.82Å; L920-V928 PolarHBondContact O-N 3.14Å; L920-L930 HydrophobicContact CD1-CD2 3.81Å; L920-L930 HydrophobicContact CG-CD2 4.18Å; L920-L951 HydrophobicContact CD2-CD1 4.34Å |
| 921 | H | 92.1 | Very high | 87.6 | Confident | 30 Ų | 30 | 26.8 Ų | 26.8 | 14% | 0.139 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 135.6 | -177.4 | -63 | -63.3 | 0 | 0 | 0 | 111.1 | F905 T906 G907 S909 D927 Q973 | F905-H921 CarbonylContact C-O 3.58Å; F905-H921 WeakPolarHBondContact CA-O 3.4Å; T906-H921 PolarHBondContact N-O 2.91Å; G907-H921 PolarHBondContact O-N 2.67Å; S909-H921 WeakPolarHBondContact CB-NE2 3.43Å; S909-H921 PolarHBondContact OG-NE2 2.8Å; H921-D927 VanDerWaalsContact CA-OD1 3.29Å; H921-D927 WeakPolarHBondContact CA-OD1 3.45Å; H921-D927 IonicContact CE1-OD2 2.75Å; H921-D927 IonicContact CG-OD2 2.89Å; H921-D927 IonicContact ND1-OD1 3.57Å; H921-D927 IonicContact ND1-OD2 3.28Å; H921-D927 PolarHBondContact ND1-OD2 3.3Å; H921-Q973 PolarHBondContact CE1-O 3.37Å |
| 922 | M | 89.6 | Confident | 87.6 | Confident | 11 Ų | 11 | 26.7 Ų | 26.7 | 5% | 0.054 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 146 | -177.7 | -64.7 | -175.4 | 75 | 0 | 0 | 111.7 | L900 S904 F905 S924 Q925 D926 D927 V928 | L900-M922 HydrophobicContact CB-CE 4.28Å; L900-M922 HydrophobicContact CD1-CE 3.97Å; L900-M922 HydrophobicContact CD1-SD 3.92Å; L900-M922 HydrophobicContact CD2-CE 3.75Å; L900-M922 HydrophobicContact CG-CE 4.21Å; S904-M922 CarbonylContact O-C 3.56Å; S904-M922 WeakPolarHBondContact O-CA 3.32Å; S904-M922 WeakPolarHBondContact OG-CE 3.49Å; F905-M922 HydrophobicContact CD1-CG 3.68Å; F905-M922 HydrophobicContact CE1-CG 3.61Å; F905-M922 HydrophobicContact CE1-SD 3.99Å; F905-M922 HydrophobicContact CG-CG 4.41Å; F905-M922 HydrophobicContact CZ-CE 4.37Å; F905-M922 HydrophobicContact CZ-CG 4.29Å; F905-M922 HydrophobicContact CZ-SD 4.2Å; M922-S924 PolarHBondContact O-N 2.63Å; M922-S924 VanDerWaalsContact O-N 3.12Å; M922-Q925 PolarHBondContact O-N 2.93Å; M922-Q925 VanDerWaalsContact O-N 3.08Å; M922-D926 VanDerWaalsContact SD-O 3.34Å; M922-D927 PolarHBondContact N-OD1 3.21Å; M922-V928 HydrophobicContact SD-CG2 3.91Å |
| 923 | S | 87.8 | Confident | 87.5 | Confident | 84 Ų | 84 | 27.1 Ų | 27.1 | 59% | 0.587 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -24.4 | 175 | 57.6 | 0 | 0 | 0 | 0 | 113.3 | S904 Q925 | S904-S923 PolarHBondContact O-N 2.72Å; S904-S923 PolarHBondContact O-OG 3.46Å; S923-Q925 VanDerWaalsContact C-N 3.28Å; S923-Q925 PolarHBondContact O-N 3.02Å |
| 924 | S | 84.8 | Confident | 87.1 | Confident | 75 Ų | 75 | 28.7 Ų | 28.7 | 52% | 0.524 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 0.2 | 177.1 | 63.1 | 0 | 0 | 0 | 0 | 115.5 | M922 D926 | M922-S924 PolarHBondContact O-N 2.63Å; M922-S924 VanDerWaalsContact O-N 3.12Å; S924-D926 PolarHBondContact O-N 3.2Å |
| 925 | Q | 84.3 | Confident | 86.5 | Confident | 101 Ų | 101 | 25.4 Ų | 25.4 | 47% | 0.472 | 14% | 0.142 | S | C | . | . | S | Bend | trans | 54.7 | 30.6 | -173.9 | -57.3 | -173.5 | -14.2 | 0 | 0 | 113.9 | M922 S923 H975 G978 | M922-Q925 PolarHBondContact O-N 2.93Å; M922-Q925 VanDerWaalsContact O-N 3.08Å; S923-Q925 VanDerWaalsContact C-N 3.28Å; S923-Q925 PolarHBondContact O-N 3.02Å; Q925-H975 HydrophobicContact CB-CB 3.93Å; Q925-H975 CarbonylContact O-C 3.02Å; Q925-H975 VanDerWaalsContact O-CB 3.23Å; Q925-H975 WeakPolarHBondContact O-CB 3.06Å; Q925-G978 PolarHBondContact O-N 3.2Å |
| 926 | D | 86.4 | Confident | 85.3 | Confident | 47 Ų | 47 | 32.1 Ų | 32.1 | 25% | 0.251 | 17% | 0.173 | S | C | . | . | trans | -122.8 | 68.6 | 170.2 | -169.5 | 45.6 | 0 | 0 | 0 | 109.4 | K898 M922 S924 R977 | K898-D926 IonicContact NZ-OD2 2.68Å; K898-D926 PolarHBondContact NZ-OD2 2.87Å; M922-D926 VanDerWaalsContact SD-O 3.34Å; S924-D926 PolarHBondContact O-N 3.2Å; D926-R977 PolarHBondContact OD1-N 2.81Å | ||
| 927 | D | 88.7 | Confident | 83.8 | Confident | 6 Ų | 6 | 37.8 Ų | 37.8 | 3% | 0.032 | 20% | 0.203 | C | C | . | . | trans | -62.7 | 151.1 | -173.8 | -63.3 | -19.5 | 0 | 0 | 0 | 112.3 | L920 H921 M922 L974 H975 | L920-D927 WeakPolarHBondContact O-CA 3.34Å; H921-D927 VanDerWaalsContact CA-OD1 3.29Å; H921-D927 WeakPolarHBondContact CA-OD1 3.45Å; H921-D927 IonicContact CE1-OD2 2.75Å; H921-D927 IonicContact CG-OD2 2.89Å; H921-D927 IonicContact ND1-OD1 3.57Å; H921-D927 IonicContact ND1-OD2 3.28Å; H921-D927 PolarHBondContact ND1-OD2 3.3Å; M922-D927 PolarHBondContact N-OD1 3.21Å; D927-L974 HydrophobicContact CB-CB 4.05Å; D927-L974 WeakPolarHBondContact OD2-CA 3.22Å; D927-H975 VanDerWaalsContact CB-O 3.3Å; D927-H975 WeakPolarHBondContact CB-O 3.34Å; D927-H975 PolarHBondContact N-O 3.47Å; D927-H975 PolarHBondContact OD2-N 3.2Å | ||
| 928 | V | 87.6 | Confident | 82.5 | Confident | 9 Ų | 9 | 40.5 Ų | 40.5 | 6% | 0.055 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 98.8 | 178.3 | -174.7 | 0 | 0 | 0 | 0 | 109.4 | K866 L900 F905 L920 M922 L930 | K866-V928 HydrophobicContact CD-CG1 4.22Å; L900-V928 HydrophobicContact CD1-CG2 3.9Å; F905-V928 HydrophobicContact CE1-CG2 4.3Å; L920-V928 HydrophobicContact CB-CB 4.26Å; L920-V928 PolarHBondContact N-O 2.82Å; L920-V928 PolarHBondContact O-N 3.14Å; M922-V928 HydrophobicContact SD-CG2 3.91Å; V928-L930 HydrophobicContact CG1-CD2 3.89Å |
| 929 | L | 89.3 | Confident | 81.1 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 126.9 | 166.1 | -177.2 | 65 | 0 | 0 | 0 | 110.4 | K866 M917 L974 V983 F996 F1003 | K866-L929 WeakPolarHBondContact CG-O 3.48Å; M917-L929 HydrophobicContact CG-CD1 3.94Å; M917-L929 HydrophobicContact SD-CD1 4.04Å; L929-L974 HydrophobicContact CB-CD2 3.81Å; L929-L974 HydrophobicContact CD1-CD2 3.67Å; L929-L974 HydrophobicContact CD2-CD2 4.09Å; L929-L974 HydrophobicContact CG-CD2 4.04Å; L929-V983 HydrophobicContact CD1-CG1 4.41Å; L929-V983 HydrophobicContact CD1-CG2 4.26Å; L929-V983 HydrophobicContact CD2-CG1 4.16Å; L929-V983 HydrophobicContact CD2-CG2 3.74Å; L929-F996 HydrophobicContact CD1-CE1 4.3Å; L929-F996 HydrophobicContact CD1-CZ 4.4Å; L929-F996 HydrophobicContact CD2-CD1 4.09Å; L929-F996 HydrophobicContact CD2-CE1 3.63Å; L929-F996 HydrophobicContact CD2-CZ 4.1Å; L929-F996 HydrophobicContact CG-CE1 3.94Å; L929-F996 HydrophobicContact CG-CZ 3.95Å; L929-F1003 HydrophobicContact CD2-CD2 4.35Å |
| 930 | L | 90 | Very high | 79.7 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 147.1 | 177.3 | 60.4 | 98.6 | 0 | 0 | 0 | 111.1 | C864 L878 V918 L920 V928 L932 | C864-L930 HydrophobicContact CB-CB 4.23Å; C864-L930 HydrophobicContact CB-CD1 4.41Å; L878-L930 HydrophobicContact CD1-CD2 4.4Å; L878-L930 HydrophobicContact CD2-CD1 4.25Å; L878-L930 HydrophobicContact CD2-CD2 3.79Å; V918-L930 HydrophobicContact CB-CD1 3.81Å; V918-L930 HydrophobicContact CB-CG 4.19Å; V918-L930 HydrophobicContact CG2-CD1 4.35Å; V918-L930 PolarHBondContact N-O 2.78Å; V918-L930 PolarHBondContact O-N 3.02Å; L920-L930 HydrophobicContact CD1-CD2 3.81Å; L920-L930 HydrophobicContact CG-CD2 4.18Å; V928-L930 HydrophobicContact CG1-CD2 3.89Å; L930-L932 HydrophobicContact CD1-CD2 3.46Å; L930-L932 VanDerWaalsContact CD1-CD2 3.46Å; L930-L932 HydrophobicContact CD1-CG 3.86Å |
| 931 | C | 89.6 | Confident | 78.9 | Confident | 6 Ų | 6 | 52.7 Ų | 52.7 | 4% | 0.041 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 115.9 | 166.1 | -177.2 | 0 | 0 | 0 | 0 | 107.3 | C864 R865 Q916 F996 L1005 | C864-C931 CarbonylContact C-O 3.38Å; C864-C931 WeakPolarHBondContact CA-O 3.45Å; C864-C931 WeakPolarHBondContact CB-O 3.38Å; R865-C931 PolarHBondContact N-O 2.75Å; R865-C931 PolarHBondContact O-N 3.24Å; Q916-C931 CarbonylContact O-C 3.54Å; Q916-C931 WeakPolarHBondContact O-CA 3.34Å; C931-F996 HydrophobicContact CB-CE2 3.75Å; C931-F996 HydrophobicContact CB-CZ 3.78Å; C931-L1005 HydrophobicContact CB-CD1 4.2Å; C931-L1005 HydrophobicContact CB-CD2 4.35Å |
| 932 | L | 88.8 | Confident | 78.4 | Confident | 4 Ų | 4 | 51.7 Ų | 51.7 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 136.1 | 177.1 | -57.5 | 172.7 | 0 | 0 | 0 | 109 | F860 A862 C864 L878 Q916 V918 L930 R943 V944 L947 | F860-L932 HydrophobicContact CE1-CD1 4.27Å; F860-L932 HydrophobicContact CE1-CD2 3.98Å; F860-L932 HydrophobicContact CZ-CD1 4.07Å; F860-L932 HydrophobicContact CZ-CD2 4.49Å; A862-L932 HydrophobicContact CB-CD2 4.18Å; C864-L932 HydrophobicContact CB-CD2 4.36Å; L878-L932 HydrophobicContact CD2-CD2 4.48Å; Q916-L932 HydrophobicContact CB-CB 4.09Å; Q916-L932 WeakPolarHBondContact CB-O 3.26Å; Q916-L932 PolarHBondContact O-N 3.02Å; V918-L932 HydrophobicContact CG2-CD1 4.2Å; V918-L932 HydrophobicContact CG2-CG 4.42Å; L930-L932 HydrophobicContact CD1-CD2 3.46Å; L930-L932 VanDerWaalsContact CD1-CD2 3.46Å; L930-L932 HydrophobicContact CD1-CG 3.86Å; L932-R943 HydrophobicContact CD1-CB 3.95Å; L932-V944 HydrophobicContact CD1-CG2 4.4Å; L932-L947 HydrophobicContact CD1-CD2 4.09Å |
| 933 | Q | 83.6 | Confident | 78.3 | Confident | 51 Ų | 51 | 51.3 Ų | 51.3 | 24% | 0.238 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -83.9 | 138.3 | 174.6 | -69.2 | -178.4 | -14.6 | 0 | 0 | 109.3 | F863 D875 R943 | F863-Q933 HydrophobicContact CB-CB 3.99Å; F863-Q933 HydrophobicContact CB-CG 4.37Å; F863-Q933 VanDerWaalsContact CB-OE1 3.25Å; F863-Q933 PolarHBondContact O-N 2.85Å; D875-Q933 PolarHBondContact OD1-NE2 3.02Å; Q933-R943 PolarHBondContact O-NH1 3.31Å |
| 934 | Q | 74.5 | Confident | 78.3 | Confident | 66 Ų | 66 | 47.3 Ų | 47.3 | 31% | 0.308 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -77.7 | 146.4 | 171.8 | -67.5 | 169.3 | -28.1 | 0 | 0 | 108.6 | Q916 P939 | Q916-Q934 HydrophobicContact CG-CG 3.96Å; Q934-P939 VanDerWaalsContact CD-O 3.25Å; Q934-P939 PolarHBondContact OE1-O 2.92Å |
| 935 | G | 66.4 | Low | 78.5 | Confident | 7 Ų | 7 | 43.8 Ų | 43.8 | 7% | 0.072 | 23% | 0.23 | C | C | . | . | B | Isolated β-bridge | trans | -64.3 | 147 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | D834 L937 C938 | D834-G935 WeakPolarHBondContact OD1-CA 3.47Å; G935-L937 PolarHBondContact O-N 2.71Å; G935-C938 CarbonylContact O-C 3.53Å; G935-C938 PolarHBondContact O-N 2.87Å; G935-C938 VanDerWaalsContact O-N 3.16Å |
| 936 | E | 59.6 | Low | 78.8 | Confident | 160 Ų | 160 | 39 Ų | 39 | 75% | 0.748 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -30 | -178.4 | -70.4 | -178.9 | 167.3 | 0 | 0 | 112.9 | ||
| 937 | L | 55.4 | Low | 79 | Confident | 128 Ų | 128 | 36.7 Ų | 36.7 | 67% | 0.67 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -15.2 | -178.7 | -70.6 | 169.9 | 0 | 0 | 0 | 114.3 | R833 G935 | R833-L937 WeakPolarHBondContact O-CD1 3.12Å; G935-L937 PolarHBondContact O-N 2.71Å |
| 938 | C | 61.8 | Low | 79.1 | Confident | 57 Ų | 57 | 36.5 Ų | 36.5 | 39% | 0.385 | 19% | 0.194 | S | C | . | . | B | Isolated β-bridge | trans | -148.6 | 82.4 | -172.3 | -77 | 0 | 0 | 0 | 0 | 112.1 | G935 N940 Q941 | G935-C938 CarbonylContact O-C 3.53Å; G935-C938 PolarHBondContact O-N 2.87Å; G935-C938 VanDerWaalsContact O-N 3.16Å; C938-N940 PolarHBondContact O-N 3.22Å; C938-Q941 HydrophobicContact CB-CG 3.89Å; C938-Q941 PolarHBondContact O-N 2.93Å |
| 939 | P | 60.7 | Low | 79.3 | Confident | 84 Ų | 84 | 36 Ų | 36 | 55% | 0.545 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | 5.5 | -173.8 | 28.3 | -34.7 | 0 | 0 | 0 | 115.6 | Q934 K1010 | Q934-P939 VanDerWaalsContact CD-O 3.25Å; Q934-P939 PolarHBondContact OE1-O 2.92Å; P939-K1010 PolarHBondContact O-NZ 2.94Å |
| 940 | N | 62.4 | Low | 79.3 | Confident | 129 Ų | 129 | 36.2 Ų | 36.2 | 69% | 0.69 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -113.4 | 14.1 | 179.5 | -81.9 | -12.3 | 0 | 0 | 0 | 114.2 | C938 K1010 | C938-N940 PolarHBondContact O-N 3.22Å; N940-K1010 PolarHBondContact OD1-NZ 2.95Å |
| 941 | Q | 73.8 | Confident | 79.3 | Confident | 49 Ų | 49 | 36.4 Ų | 36.4 | 23% | 0.229 | 19% | 0.194 | C | C | . | . | trans | -81.6 | 120.4 | 179.1 | -69 | 179.8 | -7.5 | 0 | 0 | 112.4 | C938 | C938-Q941 HydrophobicContact CB-CG 3.89Å; C938-Q941 PolarHBondContact O-N 2.93Å | ||
| 942 | D | 81.3 | Confident | 79.4 | Confident | 10 Ų | 10 | 36.2 Ų | 36.2 | 5% | 0.053 | 19% | 0.193 | C | C | . | . | trans | -79.9 | 114.2 | 164.6 | -167.1 | -70.5 | 0 | 0 | 0 | 110.3 | R815 R822 Q916 V944 G945 | R815-D942 IonicContact CZ-OD2 2.78Å; R815-D942 IonicContact NE-OD2 3.23Å; R815-D942 IonicContact NH2-OD1 2.75Å; R815-D942 IonicContact NH2-OD2 3.35Å; R815-D942 PolarHBondContact NH2-OD2 3.09Å; R822-D942 PolarHBondContact NH2-O 3.28Å; Q916-D942 PolarHBondContact NE2-OD2 2.98Å; Q916-D942 VanDerWaalsContact NE2-OD2 3.08Å; D942-V944 WeakPolarHBondContact OD1-CA 3.26Å; D942-V944 WeakPolarHBondContact OD1-CB 3.42Å; D942-V944 PolarHBondContact OD1-N 3.28Å; D942-G945 PolarHBondContact OD1-N 3.38Å | ||
| 943 | R | 87.3 | Confident | 79.4 | Confident | 3 Ų | 3 | 36.5 Ų | 36.5 | 1% | 0.011 | 20% | 0.195 | C | C | . | . | trans | -100.7 | -6.3 | 178.3 | -62.9 | -179.4 | -178.4 | -169 | -10.1 | 112.3 | Y828 D834 F860 L932 Q933 L947 | Y828-R943 HydrophobicContact CE2-CG 4.48Å; D834-R943 IonicContact OD1-NH2 3.37Å; D834-R943 PolarHBondContact OD1-NH2 3.4Å; D834-R943 IonicContact OD2-CZ 3.13Å; D834-R943 IonicContact OD2-NH1 2.93Å; D834-R943 PolarHBondContact OD2-NH1 3.28Å; D834-R943 IonicContact OD2-NH2 2.74Å; D834-R943 PolarHBondContact OD2-NH2 2.87Å; F860-R943 HydrophobicContact CZ-CB 4.26Å; L932-R943 HydrophobicContact CD1-CB 3.95Å; Q933-R943 PolarHBondContact O-NH1 3.31Å; R943-L947 WeakPolarHBondContact O-CB 3.47Å; R943-L947 PolarHBondContact O-N 3.08Å; R943-L947 VanDerWaalsContact O-N 3.1Å | ||
| 944 | V | 89.3 | Confident | 79.6 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.6 | -49.8 | -179.8 | 178.4 | 0 | 0 | 0 | 0 | 109.8 | V910 V918 L932 D942 E946 L947 V948 | V910-V944 HydrophobicContact CB-CG1 3.96Å; V910-V944 HydrophobicContact CG1-CG1 3.38Å; V918-V944 HydrophobicContact CG2-CG1 4.17Å; V918-V944 HydrophobicContact CG2-CG2 3.98Å; L932-V944 HydrophobicContact CD1-CG2 4.4Å; D942-V944 WeakPolarHBondContact OD1-CA 3.26Å; D942-V944 WeakPolarHBondContact OD1-CB 3.42Å; D942-V944 PolarHBondContact OD1-N 3.28Å; V944-E946 VanDerWaalsContact C-N 3.25Å; V944-E946 PolarHBondContact O-N 3.09Å; V944-L947 PolarHBondContact O-N 3.5Å; V944-L947 VanDerWaalsContact O-N 3.14Å; V944-V948 HydrophobicContact CG1-CG2 4.27Å; V944-V948 WeakPolarHBondContact O-CG2 3.38Å; V944-V948 PolarHBondContact O-N 3.38Å |
| 945 | G | 88 | Confident | 80.2 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.3 | -38.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | W818 W824 D942 G949 | W818-G945 WeakPolarHBondContact O-CA 2.78Å; W824-G945 WeakPolarHBondContact CH2-O 3.18Å; D942-G945 PolarHBondContact OD1-N 3.38Å; G945-G949 PolarHBondContact O-N 3.25Å |
| 946 | E | 90.4 | Very high | 81.1 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -70.5 | -43 | 175.7 | -179.1 | 175.7 | 163.9 | 0 | 0 | 112.9 | R822 W824 E825 R826 Y828 V944 V948 G949 A950 | R822-E946 IonicContact CZ-OE2 2.71Å; R822-E946 IonicContact NH1-OE2 2.87Å; R822-E946 PolarHBondContact NH1-OE2 3.21Å; R822-E946 VanDerWaalsContact NH1-OE2 3.12Å; R822-E946 IonicContact NH2-OE2 3.49Å; R822-E946 PolarHBondContact NH2-OE2 3.22Å; W824-E946 VanDerWaalsContact CB-CD 3.47Å; W824-E946 HydrophobicContact CB-CG 3.79Å; W824-E946 HydrophobicContact CD2-CB 3.84Å; W824-E946 HydrophobicContact CD2-CG 3.71Å; W824-E946 HydrophobicContact CE3-CB 4.19Å; W824-E946 HydrophobicContact CE3-CG 3.91Å; W824-E946 HydrophobicContact CG-CB 4.06Å; W824-E946 HydrophobicContact CG-CG 3.68Å; W824-E946 HydrophobicContact CZ2-CB 4.4Å; E825-E946 PolarHBondContact N-OE1 3.11Å; R826-E946 VanDerWaalsContact CA-OE1 3.3Å; R826-E946 WeakPolarHBondContact CA-OE1 3.41Å; R826-E946 PolarHBondContact N-OE1 3.13Å; Y828-E946 VanDerWaalsContact OH-CD 3.28Å; Y828-E946 PolarHBondContact OH-OE1 3.05Å; Y828-E946 PolarHBondContact OH-OE2 2.97Å; V944-E946 VanDerWaalsContact C-N 3.25Å; V944-E946 PolarHBondContact O-N 3.09Å; E946-V948 VanDerWaalsContact C-N 3.32Å; E946-V948 PolarHBondContact O-N 3.31Å; E946-G949 PolarHBondContact O-N 3.05Å; E946-A950 WeakPolarHBondContact O-CB 3.11Å; E946-A950 PolarHBondContact O-N 3.07Å |
| 947 | L | 90.6 | Very high | 82.3 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.1 | -45 | 173.5 | 173.4 | 63.9 | 0 | 0 | 0 | 111 | F860 I880 L908 V918 L932 R943 V944 L951 | F860-L947 HydrophobicContact CB-CD1 3.84Å; F860-L947 HydrophobicContact CD1-CD1 3.66Å; F860-L947 HydrophobicContact CD2-CB 4.18Å; F860-L947 HydrophobicContact CD2-CD1 4.19Å; F860-L947 HydrophobicContact CE1-CB 4.43Å; F860-L947 HydrophobicContact CE1-CD1 4.2Å; F860-L947 HydrophobicContact CE2-CB 4.03Å; F860-L947 HydrophobicContact CG-CB 4.43Å; F860-L947 HydrophobicContact CG-CD1 3.64Å; F860-L947 HydrophobicContact CZ-CB 4.17Å; I880-L947 HydrophobicContact CD1-CD1 3.63Å; L908-L947 HydrophobicContact CD1-CD2 4.46Å; V918-L947 HydrophobicContact CB-CD2 4.42Å; V918-L947 HydrophobicContact CG1-CD2 3.95Å; V918-L947 HydrophobicContact CG2-CD2 4Å; L932-L947 HydrophobicContact CD1-CD2 4.09Å; R943-L947 WeakPolarHBondContact O-CB 3.47Å; R943-L947 PolarHBondContact O-N 3.08Å; R943-L947 VanDerWaalsContact O-N 3.1Å; V944-L947 PolarHBondContact O-N 3.5Å; V944-L947 VanDerWaalsContact O-N 3.14Å; L947-L951 HydrophobicContact CD1-CD1 3.61Å; L947-L951 HydrophobicContact CD1-CG 3.98Å; L947-L951 HydrophobicContact CG-CD1 4Å; L947-L951 VanDerWaalsContact O-CB 3.3Å; L947-L951 WeakPolarHBondContact O-CB 3.28Å; L947-L951 WeakPolarHBondContact O-CG 3.45Å; L947-L951 PolarHBondContact O-N 3.26Å |
| 948 | V | 91.8 | Very high | 83.5 | Confident | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.2 | -52 | 176.9 | 176.8 | 0 | 0 | 0 | 0 | 110.6 | L811 L908 V910 V944 E946 A950 L951 V952 V965 | L811-V948 HydrophobicContact CD1-CB 4.33Å; L811-V948 HydrophobicContact CD1-CG1 4.33Å; L811-V948 HydrophobicContact CD2-CG1 4.25Å; L811-V948 HydrophobicContact CG-CG1 4.28Å; L908-V948 HydrophobicContact CD1-CG2 4.12Å; L908-V948 HydrophobicContact CD2-CG2 3.5Å; L908-V948 VanDerWaalsContact CD2-CG2 3.5Å; V910-V948 HydrophobicContact CG1-CG2 4.24Å; V944-V948 HydrophobicContact CG1-CG2 4.27Å; V944-V948 WeakPolarHBondContact O-CG2 3.38Å; V944-V948 PolarHBondContact O-N 3.38Å; E946-V948 VanDerWaalsContact C-N 3.32Å; E946-V948 PolarHBondContact O-N 3.31Å; V948-A950 PolarHBondContact O-N 2.95Å; V948-L951 PolarHBondContact O-N 3.09Å; V948-V952 HydrophobicContact CG1-CG2 4.07Å; V948-V952 WeakPolarHBondContact O-CB 3.47Å; V948-V952 VanDerWaalsContact O-CG2 3.25Å; V948-V952 WeakPolarHBondContact O-CG2 3.3Å; V948-V952 PolarHBondContact O-N 3.2Å; V948-V965 HydrophobicContact CG1-CB 4.48Å; V948-V965 HydrophobicContact CG1-CG1 3.95Å; V948-V965 HydrophobicContact CG1-CG2 3.73Å |
| 949 | G | 90.6 | Very high | 84.1 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.9 | -42.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A803 G945 E946 D953 | A803-G949 WeakPolarHBondContact O-CA 3.23Å; G945-G949 PolarHBondContact O-N 3.25Å; E946-G949 PolarHBondContact O-N 3.05Å; G949-D953 WeakPolarHBondContact O-CB 3.28Å; G949-D953 PolarHBondContact O-N 3.12Å |
| 950 | A | 90.3 | Very high | 85 | Confident | 4 Ų | 4 | 37.1 Ų | 37.1 | 3% | 0.033 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.1 | -42.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V859 E946 V948 H954 | V859-A950 HydrophobicContact CG1-CB 4.27Å; E946-A950 WeakPolarHBondContact O-CB 3.11Å; E946-A950 PolarHBondContact O-N 3.07Å; V948-A950 PolarHBondContact O-N 2.95Å; A950-H954 WeakPolarHBondContact O-CB 3.38Å; A950-H954 PolarHBondContact O-N 3.25Å |
| 951 | L | 89.8 | Confident | 85.9 | Confident | 6 Ų | 6 | 33 Ų | 33 | 3% | 0.031 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -69.3 | -47.6 | 177 | -77.9 | 175.1 | 0 | 0 | 0 | 112 | V859 I880 L902 L908 L920 L947 V948 H954 F955 L963 | V859-L951 HydrophobicContact CG1-CD2 4.24Å; I880-L951 HydrophobicContact CD1-CD1 4.49Å; I880-L951 HydrophobicContact CG2-CD2 4.05Å; L902-L951 HydrophobicContact CD1-CD2 4.46Å; L908-L951 HydrophobicContact CD1-CD1 4.3Å; L920-L951 HydrophobicContact CD2-CD1 4.34Å; L947-L951 HydrophobicContact CD1-CD1 3.61Å; L947-L951 HydrophobicContact CD1-CG 3.98Å; L947-L951 HydrophobicContact CG-CD1 4Å; L947-L951 VanDerWaalsContact O-CB 3.3Å; L947-L951 WeakPolarHBondContact O-CB 3.28Å; L947-L951 WeakPolarHBondContact O-CG 3.45Å; L947-L951 PolarHBondContact O-N 3.26Å; V948-L951 PolarHBondContact O-N 3.09Å; L951-H954 PolarHBondContact O-N 3.21Å; L951-F955 WeakPolarHBondContact O-CD2 3.46Å; L951-F955 PolarHBondContact O-N 3.06Å; L951-L963 HydrophobicContact CB-CD2 3.89Å |
| 952 | V | 90.5 | Very high | 86.3 | Confident | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.012 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.9 | -45.6 | -179.7 | 174.5 | 0 | 0 | 0 | 0 | 110.8 | A806 V948 H954 F955 I956 V965 | A806-V952 HydrophobicContact CB-CB 4.45Å; A806-V952 HydrophobicContact CB-CG1 4.13Å; V948-V952 HydrophobicContact CG1-CG2 4.07Å; V948-V952 WeakPolarHBondContact O-CB 3.47Å; V948-V952 VanDerWaalsContact O-CG2 3.25Å; V948-V952 WeakPolarHBondContact O-CG2 3.3Å; V948-V952 PolarHBondContact O-N 3.2Å; V952-H954 VanDerWaalsContact C-N 3.3Å; V952-H954 PolarHBondContact O-N 2.96Å; V952-F955 PolarHBondContact O-N 3.28Å; V952-I956 HydrophobicContact CG1-CD1 3.61Å; V952-I956 HydrophobicContact CG1-CG1 4.29Å; V952-I956 WeakPolarHBondContact O-CB 3.43Å; V952-I956 VanDerWaalsContact O-CG1 3.26Å; V952-I956 WeakPolarHBondContact O-CG1 3.24Å; V952-I956 PolarHBondContact O-N 2.96Å; V952-V965 HydrophobicContact CG2-CG2 3.5Å; V952-V965 VanDerWaalsContact CG2-CG2 3.5Å |
| 953 | D | 89.4 | Confident | 86.6 | Confident | 10 Ų | 10 | 37.6 Ų | 37.6 | 5% | 0.053 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.1 | -42.1 | 173.7 | 174.2 | 66.3 | 0 | 0 | 0 | 111.5 | A803 A806 G949 R957 | A803-D953 HydrophobicContact CB-CB 4.39Å; A806-D953 HydrophobicContact CB-CB 4.23Å; G949-D953 WeakPolarHBondContact O-CB 3.28Å; G949-D953 PolarHBondContact O-N 3.12Å; D953-R957 WeakPolarHBondContact O-CB 3.48Å; D953-R957 WeakPolarHBondContact O-CG 3.04Å; D953-R957 PolarHBondContact O-N 3.24Å; D953-R957 WeakPolarHBondContact OD1-CD 3.31Å; D953-R957 IonicContact OD1-CZ 2.63Å; D953-R957 IonicContact OD1-NE 3.89Å; D953-R957 PolarHBondContact OD1-NE 3.09Å; D953-R957 IonicContact OD2-CZ 2.74Å; D953-R957 IonicContact OD2-NE 2.61Å; D953-R957 PolarHBondContact OD2-NE 3.17Å; D953-R957 IonicContact OD2-NH2 3.02Å; D953-R957 PolarHBondContact OD2-NH2 3.04Å |
| 954 | H | 87.9 | Confident | 86.7 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 1% | 0.014 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.5 | -45.9 | 177.4 | -176.1 | 80.3 | 0 | 0 | 0 | 112.5 | V859 A950 L951 V952 R957 I958 | V859-H954 HydrophobicContact CG1-CB 4.45Å; A950-H954 WeakPolarHBondContact O-CB 3.38Å; A950-H954 PolarHBondContact O-N 3.25Å; L951-H954 PolarHBondContact O-N 3.21Å; V952-H954 VanDerWaalsContact C-N 3.3Å; V952-H954 PolarHBondContact O-N 2.96Å; H954-R957 PolarHBondContact O-N 3.11Å; H954-I958 WeakPolarHBondContact O-CB 3.09Å; H954-I958 PolarHBondContact O-N 3.14Å |
| 955 | F | 87.6 | Confident | 86.8 | Confident | 20 Ų | 20 | 43 Ų | 43 | 9% | 0.088 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.3 | -42.8 | 177.8 | -91.9 | -102.3 | 0 | 0 | 0 | 111.8 | L902 L951 V952 R959 K960 A961 L963 | L902-F955 HydrophobicContact CD2-CE2 4.36Å; L902-F955 HydrophobicContact CG-CE2 4.26Å; L902-F955 HydrophobicContact CG-CZ 4.4Å; L951-F955 WeakPolarHBondContact O-CD2 3.46Å; L951-F955 PolarHBondContact O-N 3.06Å; V952-F955 PolarHBondContact O-N 3.28Å; F955-R959 CarbonylContact O-C 3.42Å; F955-R959 VanDerWaalsContact O-C 3.31Å; F955-R959 WeakPolarHBondContact O-CA 3.42Å; F955-R959 WeakPolarHBondContact O-CB 3.29Å; F955-R959 PolarHBondContact O-N 3.18Å; F955-K960 PolarHBondContact O-N 3.43Å; F955-A961 CarbonylContact C-O 3.42Å; F955-A961 WeakPolarHBondContact CB-O 3.48Å; F955-A961 HydrophobicContact CD1-CB 4.45Å; F955-A961 PolarHBondContact O-N 3.38Å; F955-A961 VanDerWaalsContact O-O 3.07Å; F955-L963 HydrophobicContact CB-CB 3.92Å; F955-L963 HydrophobicContact CD1-CB 4.06Å; F955-L963 HydrophobicContact CD1-CD1 4.2Å; F955-L963 HydrophobicContact CD2-CB 4.13Å; F955-L963 HydrophobicContact CD2-CD1 4.4Å; F955-L963 HydrophobicContact CD2-CD2 3.94Å; F955-L963 HydrophobicContact CD2-CG 4.39Å; F955-L963 HydrophobicContact CE1-CD1 3.93Å; F955-L963 HydrophobicContact CE2-CD1 4.14Å; F955-L963 HydrophobicContact CE2-CD2 4.02Å; F955-L963 HydrophobicContact CG-CB 3.78Å; F955-L963 HydrophobicContact CG-CD1 4.43Å; F955-L963 HydrophobicContact CG-CD2 4.44Å; F955-L963 HydrophobicContact CG-CG 4.45Å; F955-L963 HydrophobicContact CZ-CD1 3.9Å |
| 956 | I | 85.9 | Confident | 86.9 | Confident | 77 Ų | 77 | 49 Ų | 49 | 40% | 0.395 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.9 | -45.6 | 177.7 | -69.6 | 170.7 | 0 | 0 | 0 | 110.7 | V952 K960 A961 L962 | V952-I956 HydrophobicContact CG1-CD1 3.61Å; V952-I956 HydrophobicContact CG1-CG1 4.29Å; V952-I956 WeakPolarHBondContact O-CB 3.43Å; V952-I956 VanDerWaalsContact O-CG1 3.26Å; V952-I956 WeakPolarHBondContact O-CG1 3.24Å; V952-I956 PolarHBondContact O-N 2.96Å; I956-K960 VanDerWaalsContact O-CA 3.32Å; I956-K960 WeakPolarHBondContact O-CA 3.41Å; I956-K960 PolarHBondContact O-N 2.86Å; I956-A961 WeakPolarHBondContact CA-O 3.44Å; I956-A961 PolarHBondContact N-O 3.3Å; I956-L962 HydrophobicContact CD1-CD2 4.2Å; I956-L962 HydrophobicContact CG1-CD2 4.28Å |
| 957 | R | 83.4 | Confident | 86.8 | Confident | 90 Ų | 90 | 50 Ų | 50 | 34% | 0.34 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -82.2 | -51.9 | -172.4 | -69.2 | -165.7 | -63 | 122.4 | -0.8 | 113.8 | D953 H954 | D953-R957 WeakPolarHBondContact O-CB 3.48Å; D953-R957 WeakPolarHBondContact O-CG 3.04Å; D953-R957 PolarHBondContact O-N 3.24Å; D953-R957 WeakPolarHBondContact OD1-CD 3.31Å; D953-R957 IonicContact OD1-CZ 2.63Å; D953-R957 IonicContact OD1-NE 3.89Å; D953-R957 PolarHBondContact OD1-NE 3.09Å; D953-R957 IonicContact OD2-CZ 2.74Å; D953-R957 IonicContact OD2-NE 2.61Å; D953-R957 PolarHBondContact OD2-NE 3.17Å; D953-R957 IonicContact OD2-NH2 3.02Å; D953-R957 PolarHBondContact OD2-NH2 3.04Å; H954-R957 PolarHBondContact O-N 3.11Å |
| 958 | I | 80.3 | Confident | 86.6 | Confident | 91 Ų | 91 | 50.7 Ų | 50.7 | 47% | 0.467 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -87.9 | -34.9 | -170.8 | -57.6 | -154.3 | 0 | 0 | 0 | 110.3 | H954 | H954-I958 WeakPolarHBondContact O-CB 3.09Å; H954-I958 PolarHBondContact O-N 3.14Å |
| 959 | R | 75 | Confident | 86.1 | Confident | 92 Ų | 92 | 61.6 Ų | 61.6 | 35% | 0.347 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -101.6 | -8 | -177.1 | -56.3 | -61.2 | -173.8 | 135.9 | 7.7 | 114.2 | D882 D903 F955 A961 | D882-R959 PolarHBondContact O-NH2 3.41Å; D903-R959 IonicContact OD1-CZ 2.79Å; D903-R959 IonicContact OD1-NE 3.12Å; D903-R959 IonicContact OD1-NH1 3.33Å; D903-R959 PolarHBondContact OD1-NH1 3.33Å; D903-R959 IonicContact OD1-NH2 3.42Å; D903-R959 PolarHBondContact OD1-NH2 3.24Å; D903-R959 IonicContact OD2-CZ 2.72Å; D903-R959 IonicContact OD2-NH1 3.21Å; D903-R959 PolarHBondContact OD2-NH1 3.18Å; D903-R959 IonicContact OD2-NH2 3.2Å; F955-R959 CarbonylContact O-C 3.42Å; F955-R959 VanDerWaalsContact O-C 3.31Å; F955-R959 WeakPolarHBondContact O-CA 3.42Å; F955-R959 WeakPolarHBondContact O-CB 3.29Å; F955-R959 PolarHBondContact O-N 3.18Å; R959-A961 HydrophobicContact CB-CB 4.37Å; R959-A961 PolarHBondContact O-N 3.5Å; R959-A961 VanDerWaalsContact O-N 3.13Å |
| 960 | K | 80.3 | Confident | 85.1 | Confident | 192 Ų | 192 | 66.2 Ų | 66.2 | 84% | 0.835 | 33% | 0.326 | S | S | * | . | trans | 50 | 32.6 | -174.4 | -61.9 | -175.6 | 178.8 | 179 | 0 | 112.7 | F955 I956 | F955-K960 PolarHBondContact O-N 3.43Å; I956-K960 VanDerWaalsContact O-CA 3.32Å; I956-K960 WeakPolarHBondContact O-CA 3.41Å; I956-K960 PolarHBondContact O-N 2.86Å | ||
| 961 | A | 81.3 | Confident | 84.7 | Confident | 43 Ų | 43 | 67.6 Ų | 67.6 | 36% | 0.355 | 34% | 0.338 | S | S | . | . | trans | -125.4 | 145.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | F955 I956 R959 | F955-A961 CarbonylContact C-O 3.42Å; F955-A961 WeakPolarHBondContact CB-O 3.48Å; F955-A961 HydrophobicContact CD1-CB 4.45Å; F955-A961 PolarHBondContact O-N 3.38Å; F955-A961 VanDerWaalsContact O-O 3.07Å; I956-A961 WeakPolarHBondContact CA-O 3.44Å; I956-A961 PolarHBondContact N-O 3.3Å; R959-A961 HydrophobicContact CB-CB 4.37Å; R959-A961 PolarHBondContact O-N 3.5Å; R959-A961 VanDerWaalsContact O-N 3.13Å | ||
| 962 | L | 82.3 | Confident | 84.5 | Confident | 143 Ų | 143 | 67.3 Ų | 67.3 | 75% | 0.749 | 34% | 0.336 | S | S | * | . | trans | -83.6 | 123.7 | 168.9 | -85.5 | 154.9 | 0 | 0 | 0 | 108.3 | I956 P964 | I956-L962 HydrophobicContact CD1-CD2 4.2Å; I956-L962 HydrophobicContact CG1-CD2 4.28Å; L962-P964 VanDerWaalsContact O-CD 3.3Å; L962-P964 WeakPolarHBondContact O-CD 3.13Å | ||
| 963 | L | 86.8 | Confident | 84.3 | Confident | 12 Ų | 12 | 73.3 Ų | 73.3 | 6% | 0.063 | 36% | 0.364 | C | S | . | . | trans | -84.4 | 111.6 | 167.6 | -175.6 | 68.5 | 0 | 0 | 0 | 107.8 | L951 F955 V965 | L951-L963 HydrophobicContact CB-CD2 3.89Å; F955-L963 HydrophobicContact CB-CB 3.92Å; F955-L963 HydrophobicContact CD1-CB 4.06Å; F955-L963 HydrophobicContact CD1-CD1 4.2Å; F955-L963 HydrophobicContact CD2-CB 4.13Å; F955-L963 HydrophobicContact CD2-CD1 4.4Å; F955-L963 HydrophobicContact CD2-CD2 3.94Å; F955-L963 HydrophobicContact CD2-CG 4.39Å; F955-L963 HydrophobicContact CE1-CD1 3.93Å; F955-L963 HydrophobicContact CE2-CD1 4.14Å; F955-L963 HydrophobicContact CE2-CD2 4.02Å; F955-L963 HydrophobicContact CG-CB 3.78Å; F955-L963 HydrophobicContact CG-CD1 4.43Å; F955-L963 HydrophobicContact CG-CD2 4.44Å; F955-L963 HydrophobicContact CG-CG 4.45Å; F955-L963 HydrophobicContact CZ-CD1 3.9Å; L963-V965 PolarHBondContact O-N 2.95Å | ||
| 964 | P | 89.3 | Confident | 84.2 | Confident | 84 Ų | 84 | 72.9 Ų | 72.9 | 55% | 0.545 | 36% | 0.362 | S | S | . | . | trans | -63.3 | 128.1 | 179 | -19.8 | 33.4 | 0 | 0 | 0 | 110.6 | T906 G907 L908 L962 | T906-P964 WeakPolarHBondContact O-CD 3.29Å; G907-P964 WeakPolarHBondContact CA-O 3.44Å; L908-P964 PolarHBondContact N-O 3.49Å; L962-P964 VanDerWaalsContact O-CD 3.3Å; L962-P964 WeakPolarHBondContact O-CD 3.13Å | ||
| 965 | V | 90.8 | Very high | 84.2 | Confident | 33 Ų | 33 | 75.9 Ų | 75.9 | 20% | 0.2 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 123.5 | 175.3 | 177.2 | 0 | 0 | 0 | 0 | 107.9 | L811 L908 V948 V952 L963 | L811-V965 HydrophobicContact CD2-CG1 4.14Å; L908-V965 HydrophobicContact CD2-CB 4.45Å; L908-V965 HydrophobicContact CD2-CG1 3.84Å; L908-V965 HydrophobicContact CD2-CG2 4.22Å; L908-V965 WeakPolarHBondContact O-CA 3.41Å; V948-V965 HydrophobicContact CG1-CB 4.48Å; V948-V965 HydrophobicContact CG1-CG1 3.95Å; V948-V965 HydrophobicContact CG1-CG2 3.73Å; V952-V965 HydrophobicContact CG2-CG2 3.5Å; V952-V965 VanDerWaalsContact CG2-CG2 3.5Å; L963-V965 PolarHBondContact O-N 2.95Å |
| 966 | K | 90 | Very high | 84 | Confident | 126 Ų | 126 | 76.5 Ų | 76.5 | 55% | 0.548 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 117.9 | 176.8 | -171.2 | 179.9 | -179.6 | 178.2 | 0 | 110.3 | L908 S909 V910 | L908-K966 PolarHBondContact O-N 2.92Å; S909-K966 VanDerWaalsContact CA-O 3.29Å; S909-K966 WeakPolarHBondContact CA-O 3.36Å; V910-K966 PolarHBondContact N-O 2.87Å |
| 967 | V | 89.1 | Confident | 83.7 | Confident | 21 Ų | 21 | 81.2 Ų | 81.2 | 13% | 0.127 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 114.7 | 174.1 | -169 | 0 | 0 | 0 | 0 | 109.3 | L811 E814 R815 V910 | L811-V967 HydrophobicContact CD2-CG2 3.88Å; E814-V967 HydrophobicContact CB-CB 3.94Å; E814-V967 HydrophobicContact CB-CG1 4.04Å; E814-V967 HydrophobicContact CB-CG2 4.08Å; E814-V967 WeakPolarHBondContact OE2-CB 3.38Å; R815-V967 HydrophobicContact CB-CG1 4.47Å; V910-V967 HydrophobicContact CG2-CG2 4.06Å; V910-V967 CarbonylContact O-C 3.51Å; V910-V967 WeakPolarHBondContact O-CA 3.35Å |
| 968 | C | 86.6 | Confident | 83.5 | Confident | 15 Ų | 15 | 78.8 Ų | 78.8 | 10% | 0.101 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 136.1 | -176.8 | -61.4 | 0 | 0 | 0 | 0 | 111 | V910 T911 S912 A971 | V910-C968 PolarHBondContact O-N 3Å; T911-C968 CarbonylContact C-O 3.58Å; T911-C968 WeakPolarHBondContact CA-O 3.42Å; S912-C968 PolarHBondContact N-O 2.81Å; C968-A971 WeakPolarHBondContact CB-O 3.47Å |
| 969 | R | 80.9 | Confident | 83.7 | Confident | 229 Ų | 229 | 81.3 Ų | 81.3 | 86% | 0.864 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -78.1 | -33.3 | -175.1 | -69.7 | -174.7 | -178.8 | 179.6 | 0.8 | 115.4 | S912 | S912-R969 WeakPolarHBondContact OG-CA 3.47Š|
| 970 | S | 70 | Confident | 84.2 | Confident | 97 Ų | 97 | 81.3 Ų | 81.3 | 68% | 0.678 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -139.4 | -35.7 | -169.1 | 54 | 0 | 0 | 0 | 0 | 115 | ||
| 971 | A | 81.1 | Confident | 84.5 | Confident | 34 Ų | 34 | 75 Ų | 75 | 28% | 0.281 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 141.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111 | C968 V983 T984 | C968-A971 WeakPolarHBondContact CB-O 3.47Å; A971-V983 CarbonylContact C-O 3.54Å; A971-V983 WeakPolarHBondContact CA-O 3.38Å; A971-T984 HydrophobicContact CB-CG2 3.8Å |
| 972 | L | 85.5 | Confident | 84.9 | Confident | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 121.9 | -178.7 | -138.4 | 166.1 | 0 | 0 | 0 | 108.1 | T911 M917 A919 V983 | T911-L972 HydrophobicContact CG2-CD1 4.14Å; M917-L972 HydrophobicContact CE-CB 4.11Å; M917-L972 HydrophobicContact CE-CD1 3.69Å; M917-L972 HydrophobicContact CG-CD1 4.37Å; A919-L972 HydrophobicContact CB-CD1 4.41Å; A919-L972 HydrophobicContact CB-CD2 3.48Å; A919-L972 VanDerWaalsContact CB-CD2 3.48Å; L972-V983 HydrophobicContact CB-CB 4.36Å; L972-V983 PolarHBondContact N-O 3.15Å; L972-V983 PolarHBondContact O-N 3.25Å |
| 973 | Q | 86.3 | Confident | 85.1 | Confident | 127 Ų | 127 | 69.4 Ų | 69.4 | 59% | 0.593 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 133.5 | 178.7 | -59.6 | -161.6 | -42 | 0 | 0 | 110.3 | H921 N982 | H921-Q973 PolarHBondContact CE1-O 3.37Å; Q973-N982 WeakPolarHBondContact CG-OD1 3.43Å; Q973-N982 PolarHBondContact NE2-OD1 3.32Å |
| 974 | L | 88.5 | Confident | 85.2 | Confident | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.005 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 161.7 | 178.3 | 63.6 | 91.3 | 0 | 0 | 0 | 111.6 | A919 D927 L929 M976 P980 K981 V983 | A919-L974 HydrophobicContact CB-CD2 4.25Å; D927-L974 HydrophobicContact CB-CB 4.05Å; D927-L974 WeakPolarHBondContact OD2-CA 3.22Å; L929-L974 HydrophobicContact CB-CD2 3.81Å; L929-L974 HydrophobicContact CD1-CD2 3.67Å; L929-L974 HydrophobicContact CD2-CD2 4.09Å; L929-L974 HydrophobicContact CG-CD2 4.04Å; L974-M976 HydrophobicContact CD1-CG 3.39Å; L974-M976 HydrophobicContact CD1-SD 4.07Å; L974-P980 CarbonylContact O-C 3.5Å; L974-P980 WeakPolarHBondContact O-CA 3.44Å; L974-K981 HydrophobicContact CD1-CB 4.09Å; L974-K981 HydrophobicContact CG-CB 4.45Å; L974-K981 PolarHBondContact N-O 3.25Å; L974-K981 PolarHBondContact O-N 3.2Å; L974-V983 HydrophobicContact CD2-CG2 3.49Å; L974-V983 VanDerWaalsContact CD2-CG2 3.49Å; L974-V983 HydrophobicContact CG-CG2 4.2Å |
| 975 | H | 87.3 | Confident | 85.1 | Confident | 67 Ų | 67 | 69 Ų | 69 | 31% | 0.31 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 128.6 | 175.2 | -65.1 | 78.3 | 0 | 0 | 0 | 110.6 | Q925 D927 K979 | Q925-H975 HydrophobicContact CB-CB 3.93Å; Q925-H975 CarbonylContact O-C 3.02Å; Q925-H975 VanDerWaalsContact O-CB 3.23Å; Q925-H975 WeakPolarHBondContact O-CB 3.06Å; D927-H975 VanDerWaalsContact CB-O 3.3Å; D927-H975 WeakPolarHBondContact CB-O 3.34Å; D927-H975 PolarHBondContact N-O 3.47Å; D927-H975 PolarHBondContact OD2-N 3.2Å; H975-K979 WeakPolarHBondContact CA-O 3.47Å |
| 976 | M | 83.2 | Confident | 84.9 | Confident | 33 Ų | 33 | 72 Ų | 72 | 16% | 0.163 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 118.3 | 166.4 | -64.7 | -171.1 | 80.1 | 0 | 0 | 108.6 | L974 G978 K979 K981 F1003 | L974-M976 HydrophobicContact CD1-CG 3.39Å; L974-M976 HydrophobicContact CD1-SD 4.07Å; M976-G978 VanDerWaalsContact C-N 3.33Å; M976-G978 PolarHBondContact O-N 3.14Å; M976-K979 PolarHBondContact N-O 3.49Å; M976-K979 PolarHBondContact O-N 3.4Å; M976-K981 HydrophobicContact CB-CG 4.37Å; M976-K981 HydrophobicContact CG-CG 4.49Å; M976-F1003 HydrophobicContact SD-CD2 4.38Å; M976-F1003 HydrophobicContact SD-CE2 3.4Å; M976-F1003 WeakPolarHBondContact SD-CE2 3.29Å; M976-F1003 HydrophobicContact SD-CZ 3.86Å |
| 977 | R | 80.4 | Confident | 84.5 | Confident | 176 Ų | 176 | 70.2 Ų | 70.2 | 66% | 0.664 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 44.9 | -174 | -49.4 | -179.9 | -172.3 | 166.6 | 10.8 | 113.4 | R869 D926 K979 | R869-R977 VanDerWaalsContact CA-NH2 3.28Å; R869-R977 PolarHBondContact O-NH2 3.4Å; D926-R977 PolarHBondContact OD1-N 2.81Å; R977-K979 PolarHBondContact O-N 3.28Å |
| 978 | G | 79.6 | Confident | 84.1 | Confident | 39 Ų | 39 | 73.9 Ų | 73.9 | 40% | 0.402 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73 | 2.7 | 178 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q925 M976 | Q925-G978 PolarHBondContact O-N 3.2Å; M976-G978 VanDerWaalsContact C-N 3.33Å; M976-G978 PolarHBondContact O-N 3.14Å |
| 979 | K | 82.9 | Confident | 83.5 | Confident | 143 Ų | 143 | 77.6 Ų | 77.6 | 62% | 0.622 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106 | 133.8 | 174.4 | -66.3 | -171.6 | 179.1 | -173 | 0 | 110.9 | H975 M976 R977 | H975-K979 WeakPolarHBondContact CA-O 3.47Å; M976-K979 PolarHBondContact N-O 3.49Å; M976-K979 PolarHBondContact O-N 3.4Å; R977-K979 PolarHBondContact O-N 3.28Å |
| 980 | P | 86.4 | Confident | 83.1 | Confident | 92 Ų | 92 | 70.4 Ų | 70.4 | 60% | 0.597 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 141.3 | 174.5 | 28.1 | -33.8 | 0 | 0 | 0 | 110.6 | L974 | L974-P980 CarbonylContact O-C 3.5Å; L974-P980 WeakPolarHBondContact O-CA 3.44Å |
| 981 | K | 86.9 | Confident | 83.5 | Confident | 61 Ų | 61 | 68 Ų | 68 | 27% | 0.265 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 133.3 | 178.5 | -64.9 | -67.5 | 166.4 | -161.3 | 0 | 108.7 | L974 M976 F1003 | L974-K981 HydrophobicContact CD1-CB 4.09Å; L974-K981 HydrophobicContact CG-CB 4.45Å; L974-K981 PolarHBondContact N-O 3.25Å; L974-K981 PolarHBondContact O-N 3.2Å; M976-K981 HydrophobicContact CB-CG 4.37Å; M976-K981 HydrophobicContact CG-CG 4.49Å; K981-F1003 HydrophobicContact CB-CE2 4.31Å; K981-F1003 HydrophobicContact CD-CE2 4.38Å; K981-F1003 HydrophobicContact CG-CE2 4.19Å |
| 982 | N | 88.3 | Confident | 83.1 | Confident | 67 Ų | 67 | 73.6 Ų | 73.6 | 36% | 0.358 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 135.5 | 172.7 | -71 | -17.9 | 0 | 0 | 0 | 110.1 | Q973 D1001 G1002 F1003 | Q973-N982 WeakPolarHBondContact CG-OD1 3.43Å; Q973-N982 PolarHBondContact NE2-OD1 3.32Å; N982-D1001 PolarHBondContact N-O 3.33Å; N982-G1002 CarbonylContact O-C 3.57Å; N982-G1002 VanDerWaalsContact O-CA 3.26Å; N982-G1002 WeakPolarHBondContact O-CA 3.47Å; N982-F1003 PolarHBondContact O-N 3.28Å |
| 983 | V | 87.6 | Confident | 82.7 | Confident | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 115.9 | 175.5 | -168.6 | 0 | 0 | 0 | 0 | 109.8 | M917 L929 A971 L972 L974 F996 F1003 | M917-V983 HydrophobicContact CE-CG1 4.25Å; M917-V983 HydrophobicContact SD-CB 4.32Å; M917-V983 HydrophobicContact SD-CG1 3.47Å; M917-V983 WeakPolarHBondContact SD-CG1 3.27Å; L929-V983 HydrophobicContact CD1-CG1 4.41Å; L929-V983 HydrophobicContact CD1-CG2 4.26Å; L929-V983 HydrophobicContact CD2-CG1 4.16Å; L929-V983 HydrophobicContact CD2-CG2 3.74Å; A971-V983 CarbonylContact C-O 3.54Å; A971-V983 WeakPolarHBondContact CA-O 3.38Å; L972-V983 HydrophobicContact CB-CB 4.36Å; L972-V983 PolarHBondContact N-O 3.15Å; L972-V983 PolarHBondContact O-N 3.25Å; L974-V983 HydrophobicContact CD2-CG2 3.49Å; L974-V983 VanDerWaalsContact CD2-CG2 3.49Å; L974-V983 HydrophobicContact CG-CG2 4.2Å; V983-F996 HydrophobicContact CG1-CE1 4.39Å; V983-F1003 VanDerWaalsContact CA-O 3.25Å; V983-F1003 WeakPolarHBondContact CA-O 3.39Å; V983-F1003 HydrophobicContact CG1-CB 4.3Å; V983-F1003 HydrophobicContact CG2-CB 4.27Å; V983-F1003 HydrophobicContact CG2-CD2 4.24Å |
| 984 | T | 88.5 | Confident | 82.5 | Confident | 45 Ų | 45 | 72.3 Ų | 72.3 | 28% | 0.276 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 157.8 | 174.4 | 52.2 | 0 | 0 | 0 | 0 | 110.4 | A971 F1003 I1004 L1005 | A971-T984 HydrophobicContact CB-CG2 3.8Å; T984-F1003 PolarHBondContact N-O 3.05Å; T984-F1003 VanDerWaalsContact N-O 3.16Å; T984-I1004 CarbonylContact O-C 3.31Å; T984-I1004 WeakPolarHBondContact O-CA 3.38Å; T984-L1005 PolarHBondContact O-N 3.28Å |
| 985 | V | 87 | Confident | 82.4 | Confident | 44 Ų | 44 | 74.8 Ų | 74.8 | 27% | 0.267 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 126.9 | 174.6 | -175.3 | 0 | 0 | 0 | 0 | 107.8 | T911 D915 M917 L1005 V1007 | T911-V985 HydrophobicContact CG2-CG2 4.2Å; D915-V985 HydrophobicContact CB-CG1 4.15Å; D915-V985 HydrophobicContact CB-CG2 4.46Å; M917-V985 HydrophobicContact CE-CG2 3.37Å; M917-V985 HydrophobicContact SD-CG2 4.31Å; V985-L1005 WeakPolarHBondContact CA-O 3.41Å; V985-L1005 HydrophobicContact CG2-CB 4.48Å; V985-V1007 HydrophobicContact CG1-CG1 3.95Å; V985-V1007 HydrophobicContact CG1-CG2 3.79Å |
| 986 | E | 86.1 | Confident | 82.4 | Confident | 96 Ų | 96 | 72.1 Ų | 72.1 | 45% | 0.449 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 138.7 | 178 | -71.4 | 175.9 | -165.8 | 0 | 0 | 109.7 | I1004 L1005 L1006 V1007 | E986-I1004 HydrophobicContact CB-CG2 3.76Å; E986-I1004 HydrophobicContact CG-CG2 3.75Å; E986-L1005 PolarHBondContact N-O 2.95Å; E986-L1006 HydrophobicContact CB-CD2 4.22Å; E986-L1006 WeakPolarHBondContact O-CA 3.46Å; E986-V1007 PolarHBondContact O-N 3.36Å |
| 987 | T | 82.7 | Confident | 82.5 | Confident | 87 Ų | 87 | 76.6 Ų | 76.6 | 53% | 0.534 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 134.1 | 170.3 | 43.2 | 0 | 0 | 0 | 0 | 109.4 | V1007 | T987-V1007 HydrophobicContact CG2-CG2 3.79Å |
| 988 | K | 79.8 | Confident | 82.6 | Confident | 99 Ų | 99 | 74.6 Ų | 74.6 | 43% | 0.43 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 124 | 177 | -170.4 | -176.4 | 176.5 | -162.7 | 0 | 111.4 | G990 Q991 L1006 V1007 | K988-G990 PolarHBondContact O-N 3.43Å; K988-Q991 HydrophobicContact CB-CB 4.34Å; K988-Q991 WeakPolarHBondContact O-CB 3.34Å; K988-Q991 PolarHBondContact O-N 2.84Å; K988-L1006 HydrophobicContact CB-CD2 4.26Å; K988-L1006 HydrophobicContact CD-CD1 4.19Å; K988-V1007 PolarHBondContact N-O 3.24Å |
| 989 | P | 75.1 | Confident | 82.7 | Confident | 93 Ų | 93 | 75.2 Ų | 75.2 | 60% | 0.604 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 128.8 | 174.3 | -18.5 | 26.8 | 0 | 0 | 0 | 111 | E1009 | P989-E1009 WeakPolarHBondContact CG-OE2 3.44Š|
| 990 | G | 71.8 | Confident | 82.4 | Confident | 77 Ų | 77 | 77.8 Ų | 77.8 | 79% | 0.794 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87 | 6.2 | 179 | 0 | 0 | 0 | 0 | 0 | 116.7 | K988 | K988-G990 PolarHBondContact O-N 3.43Š|
| 991 | Q | 78.4 | Confident | 81.9 | Confident | 48 Ų | 48 | 79.2 Ų | 79.2 | 22% | 0.224 | 43% | 0.428 | C | S | . | . | trans | -87.4 | 112.9 | 174.7 | -173.7 | 73.6 | 28.6 | 0 | 0 | 111.2 | K988 V993 L1006 P1008 | K988-Q991 HydrophobicContact CB-CB 4.34Å; K988-Q991 WeakPolarHBondContact O-CB 3.34Å; K988-Q991 PolarHBondContact O-N 2.84Å; Q991-V993 WeakPolarHBondContact CG-O 3.28Å; Q991-V993 PolarHBondContact NE2-O 2.91Å; Q991-L1006 HydrophobicContact CG-CB 4.42Å; Q991-P1008 WeakPolarHBondContact O-CA 3.22Å; Q991-P1008 VanDerWaalsContact O-CB 3.28Å; Q991-P1008 WeakPolarHBondContact O-CB 3.35Å | ||
| 992 | N | 73.2 | Confident | 81.8 | Confident | 151 Ų | 151 | 76.5 Ų | 76.5 | 81% | 0.807 | 42% | 0.418 | S | S | * | . | trans | -80.8 | -29.7 | -177.1 | -68.3 | -16.5 | 0 | 0 | 0 | 114.7 | ||||
| 993 | V | 76.8 | Confident | 81.8 | Confident | 78 Ų | 78 | 73.7 Ų | 73.7 | 47% | 0.473 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -134.4 | 138.6 | -177.2 | -173.8 | 0 | 0 | 0 | 0 | 109 | R865 Q991 D995 | R865-V993 VanDerWaalsContact NH1-CG1 3.3Å; Q991-V993 WeakPolarHBondContact CG-O 3.28Å; Q991-V993 PolarHBondContact NE2-O 2.91Å; V993-D995 PolarHBondContact O-N 2.96Å |
| 994 | A | 82.4 | Confident | 81.8 | Confident | 22 Ų | 22 | 74.7 Ų | 74.7 | 18% | 0.182 | 41% | 0.408 | C | S | . | . | trans | -55.4 | 129.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | R865 L1005 L1006 V1007 | R865-A994 WeakPolarHBondContact CD-O 3.36Å; R865-A994 PolarHBondContact NH1-O 3.45Å; A994-L1005 HydrophobicContact CB-CD1 4.27Å; A994-L1006 CarbonylContact C-O 3.51Å; A994-L1006 VanDerWaalsContact CA-O 3.24Å; A994-L1006 WeakPolarHBondContact CA-O 3.23Å; A994-V1007 HydrophobicContact CB-CG1 4.3Å | ||
| 995 | D | 85.8 | Confident | 81.8 | Confident | 53 Ų | 53 | 72.6 Ų | 72.6 | 28% | 0.283 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 149.4 | -177.9 | -157.9 | 11 | 0 | 0 | 0 | 112.9 | R865 S873 V993 L1006 | R865-D995 WeakPolarHBondContact CD-OD1 3.15Å; S873-D995 WeakPolarHBondContact CB-OD1 3.5Å; S873-D995 PolarHBondContact OG-OD1 3.02Å; V993-D995 PolarHBondContact O-N 2.96Å; D995-L1006 PolarHBondContact N-O 2.81Å; D995-L1006 PolarHBondContact O-N 3.29Å |
| 996 | F | 87.5 | Confident | 81.7 | Confident | 11 Ų | 11 | 71.3 Ų | 71.3 | 5% | 0.048 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 128.2 | -177.7 | -70.1 | -78 | 0 | 0 | 0 | 111.4 | R865 M867 M917 L929 C931 V983 I1004 L1005 | R865-F996 HydrophobicContact CG-CD2 4.36Å; R865-F996 WeakPolarHBondContact O-CE2 3.36Å; M867-F996 HydrophobicContact CE-CB 4.12Å; M867-F996 HydrophobicContact CG-CB 3.42Å; M867-F996 VanDerWaalsContact CG-CB 3.42Å; M867-F996 HydrophobicContact CG-CD1 4.28Å; M867-F996 HydrophobicContact CG-CD2 3.92Å; M867-F996 HydrophobicContact CG-CG 3.64Å; M867-F996 HydrophobicContact SD-CB 3.34Å; M867-F996 WeakPolarHBondContact SD-CB 3.45Å; M867-F996 HydrophobicContact SD-CG 4.2Å; M917-F996 HydrophobicContact SD-CE1 4.27Å; L929-F996 HydrophobicContact CD1-CE1 4.3Å; L929-F996 HydrophobicContact CD1-CZ 4.4Å; L929-F996 HydrophobicContact CD2-CD1 4.09Å; L929-F996 HydrophobicContact CD2-CE1 3.63Å; L929-F996 HydrophobicContact CD2-CZ 4.1Å; L929-F996 HydrophobicContact CG-CE1 3.94Å; L929-F996 HydrophobicContact CG-CZ 3.95Å; C931-F996 HydrophobicContact CB-CE2 3.75Å; C931-F996 HydrophobicContact CB-CZ 3.78Å; V983-F996 HydrophobicContact CG1-CE1 4.39Å; F996-I1004 WeakPolarHBondContact CA-O 3.25Å; F996-L1005 HydrophobicContact CD1-CB 4.03Å; F996-L1005 HydrophobicContact CD1-CD1 3.87Å; F996-L1005 HydrophobicContact CD2-CD1 4.25Å; F996-L1005 HydrophobicContact CE1-CB 3.88Å; F996-L1005 HydrophobicContact CE1-CD1 3.72Å; F996-L1005 HydrophobicContact CE1-CD2 4.47Å; F996-L1005 HydrophobicContact CE1-CG 4.22Å; F996-L1005 HydrophobicContact CE2-CD1 4.11Å; F996-L1005 HydrophobicContact CG-CD1 4.14Å; F996-L1005 HydrophobicContact CZ-CD1 3.85Å |
| 997 | K | 85.6 | Confident | 81.6 | Confident | 126 Ų | 126 | 67.8 Ų | 67.8 | 55% | 0.548 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 143.7 | 173.3 | -171.3 | 178 | 175.6 | -172.7 | 0 | 110.6 | F1003 I1004 L1006 | K997-F1003 CarbonylContact O-C 3.53Å; K997-F1003 WeakPolarHBondContact O-CA 3.28Å; K997-I1004 PolarHBondContact N-O 2.99Å; K997-I1004 PolarHBondContact O-N 2.74Å; K997-L1006 HydrophobicContact CB-CD1 4.1Å; K997-L1006 HydrophobicContact CB-CG 4.48Å; K997-L1006 HydrophobicContact CD-CD1 4.14Å |
| 998 | K | 82.7 | Confident | 81.4 | Confident | 135 Ų | 135 | 65.6 Ų | 65.6 | 59% | 0.587 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 134.1 | 174.6 | -169.8 | -174.4 | 178.5 | -166.8 | 0 | 110.5 | N871 | N871-K998 HydrophobicContact CB-CD 4.19Å |
| 999 | S | 82 | Confident | 81 | Confident | 51 Ų | 51 | 66.6 Ų | 66.6 | 36% | 0.357 | 37% | 0.365 | S | S | . | . | trans | -118.1 | 172.5 | 172 | -176.7 | 0 | 0 | 0 | 0 | 110.7 | D1001 G1002 | S999-D1001 PolarHBondContact O-N 3.17Å; S999-G1002 PolarHBondContact N-O 3.17Å | ||
| 1000 | K | 76.9 | Confident | 80.1 | Confident | 198 Ų | 198 | 71.7 Ų | 71.7 | 86% | 0.861 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -55.3 | -48.6 | -175.7 | -72.9 | -175.4 | 178.2 | 179.8 | 0 | 111.8 | ||
| 1001 | D | 76 | Confident | 80.5 | Confident | 121 Ų | 121 | 71.4 Ų | 71.4 | 65% | 0.647 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -109.2 | 9.6 | -175 | -57.3 | -47.9 | 0 | 0 | 0 | 114.1 | N982 S999 | N982-D1001 PolarHBondContact N-O 3.33Å; S999-D1001 PolarHBondContact O-N 3.17Å |
| 1002 | G | 84.4 | Confident | 80.6 | Confident | 4 Ų | 4 | 72.6 Ų | 72.6 | 4% | 0.041 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.1 | -128.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | N982 S999 | N982-G1002 CarbonylContact O-C 3.57Å; N982-G1002 VanDerWaalsContact O-CA 3.26Å; N982-G1002 WeakPolarHBondContact O-CA 3.47Å; S999-G1002 PolarHBondContact N-O 3.17Å |
| 1003 | F | 86.9 | Confident | 81.1 | Confident | 8 Ų | 8 | 68.3 Ų | 68.3 | 4% | 0.035 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 153.5 | -174.7 | -53.5 | -73.8 | 0 | 0 | 0 | 111.1 | M867 N871 L929 M976 K981 N982 V983 T984 K997 | M867-F1003 HydrophobicContact CE-CD1 3.35Å; M867-F1003 HydrophobicContact CE-CE1 3.43Å; M867-F1003 VanDerWaalsContact CE-CE1 3.43Å; M867-F1003 HydrophobicContact CE-CG 4.36Å; M867-F1003 HydrophobicContact CE-CZ 4.49Å; N871-F1003 HydrophobicContact CB-CE1 4.34Å; L929-F1003 HydrophobicContact CD2-CD2 4.35Å; M976-F1003 HydrophobicContact SD-CD2 4.38Å; M976-F1003 HydrophobicContact SD-CE2 3.4Å; M976-F1003 WeakPolarHBondContact SD-CE2 3.29Å; M976-F1003 HydrophobicContact SD-CZ 3.86Å; K981-F1003 HydrophobicContact CB-CE2 4.31Å; K981-F1003 HydrophobicContact CD-CE2 4.38Å; K981-F1003 HydrophobicContact CG-CE2 4.19Å; N982-F1003 PolarHBondContact O-N 3.28Å; V983-F1003 VanDerWaalsContact CA-O 3.25Å; V983-F1003 WeakPolarHBondContact CA-O 3.39Å; V983-F1003 HydrophobicContact CG1-CB 4.3Å; V983-F1003 HydrophobicContact CG2-CB 4.27Å; V983-F1003 HydrophobicContact CG2-CD2 4.24Å; T984-F1003 PolarHBondContact N-O 3.05Å; T984-F1003 VanDerWaalsContact N-O 3.16Å; K997-F1003 CarbonylContact O-C 3.53Å; K997-F1003 WeakPolarHBondContact O-CA 3.28Å |
| 1004 | I | 87.7 | Confident | 81.3 | Confident | 22 Ų | 22 | 67.7 Ų | 67.7 | 11% | 0.113 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 124.2 | 171.8 | -59.6 | 166 | 0 | 0 | 0 | 106.3 | T984 E986 F996 K997 L1006 | T984-I1004 CarbonylContact O-C 3.31Å; T984-I1004 WeakPolarHBondContact O-CA 3.38Å; E986-I1004 HydrophobicContact CB-CG2 3.76Å; E986-I1004 HydrophobicContact CG-CG2 3.75Å; F996-I1004 WeakPolarHBondContact CA-O 3.25Å; K997-I1004 PolarHBondContact N-O 2.99Å; K997-I1004 PolarHBondContact O-N 2.74Å; I1004-L1006 HydrophobicContact CG2-CD2 3.88Å; I1004-L1006 HydrophobicContact CG2-CG 4.45Å |
| 1005 | L | 88.3 | Confident | 81.2 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 109.4 | 167.1 | 180 | 63.6 | 0 | 0 | 0 | 107.7 | M917 C931 T984 V985 E986 A994 F996 V1007 | M917-L1005 HydrophobicContact CB-CD2 3.84Å; M917-L1005 HydrophobicContact CG-CD2 4.19Å; M917-L1005 HydrophobicContact SD-CB 4.19Å; M917-L1005 HydrophobicContact SD-CD2 3.98Å; C931-L1005 HydrophobicContact CB-CD1 4.2Å; C931-L1005 HydrophobicContact CB-CD2 4.35Å; T984-L1005 PolarHBondContact O-N 3.28Å; V985-L1005 WeakPolarHBondContact CA-O 3.41Å; V985-L1005 HydrophobicContact CG2-CB 4.48Å; E986-L1005 PolarHBondContact N-O 2.95Å; A994-L1005 HydrophobicContact CB-CD1 4.27Å; F996-L1005 HydrophobicContact CD1-CB 4.03Å; F996-L1005 HydrophobicContact CD1-CD1 3.87Å; F996-L1005 HydrophobicContact CD2-CD1 4.25Å; F996-L1005 HydrophobicContact CE1-CB 3.88Å; F996-L1005 HydrophobicContact CE1-CD1 3.72Å; F996-L1005 HydrophobicContact CE1-CD2 4.47Å; F996-L1005 HydrophobicContact CE1-CG 4.22Å; F996-L1005 HydrophobicContact CE2-CD1 4.11Å; F996-L1005 HydrophobicContact CG-CD1 4.14Å; F996-L1005 HydrophobicContact CZ-CD1 3.85Å; L1005-V1007 HydrophobicContact CD2-CG1 4.05Å; L1005-V1007 HydrophobicContact CG-CG1 3.96Å; L1005-V1007 PolarHBondContact O-N 2.94Å |
| 1006 | L | 85.9 | Confident | 80.9 | Confident | 18 Ų | 18 | 71.7 Ų | 71.7 | 9% | 0.094 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 112.5 | 173.1 | -61.3 | 175 | 0 | 0 | 0 | 107.8 | E986 K988 Q991 A994 D995 K997 I1004 | E986-L1006 HydrophobicContact CB-CD2 4.22Å; E986-L1006 WeakPolarHBondContact O-CA 3.46Å; K988-L1006 HydrophobicContact CB-CD2 4.26Å; K988-L1006 HydrophobicContact CD-CD1 4.19Å; Q991-L1006 HydrophobicContact CG-CB 4.42Å; A994-L1006 CarbonylContact C-O 3.51Å; A994-L1006 VanDerWaalsContact CA-O 3.24Å; A994-L1006 WeakPolarHBondContact CA-O 3.23Å; D995-L1006 PolarHBondContact N-O 2.81Å; D995-L1006 PolarHBondContact O-N 3.29Å; K997-L1006 HydrophobicContact CB-CD1 4.1Å; K997-L1006 HydrophobicContact CB-CG 4.48Å; K997-L1006 HydrophobicContact CD-CD1 4.14Å; I1004-L1006 HydrophobicContact CG2-CD2 3.88Å; I1004-L1006 HydrophobicContact CG2-CG 4.45Å |
| 1007 | V | 83.3 | Confident | 80.5 | Confident | 22 Ų | 22 | 76.1 Ų | 76.1 | 13% | 0.133 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 151.1 | 175.1 | -67.2 | 0 | 0 | 0 | 0 | 110.2 | D915 V985 E986 T987 K988 A994 L1005 E1009 | D915-V1007 HydrophobicContact CB-CG1 4.39Å; V985-V1007 HydrophobicContact CG1-CG1 3.95Å; V985-V1007 HydrophobicContact CG1-CG2 3.79Å; E986-V1007 PolarHBondContact O-N 3.36Å; T987-V1007 HydrophobicContact CG2-CG2 3.79Å; K988-V1007 PolarHBondContact N-O 3.24Å; A994-V1007 HydrophobicContact CB-CG1 4.3Å; L1005-V1007 HydrophobicContact CD2-CG1 4.05Å; L1005-V1007 HydrophobicContact CG-CG1 3.96Å; L1005-V1007 PolarHBondContact O-N 2.94Å; V1007-E1009 PolarHBondContact O-N 3.02Å |
| 1008 | P | 78.2 | Confident | 80.1 | Confident | 41 Ų | 41 | 72.2 Ų | 72.2 | 27% | 0.266 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.7 | 139.7 | 171.3 | -18.5 | 29.9 | 0 | 0 | 0 | 109.9 | Q991 K1010 | Q991-P1008 WeakPolarHBondContact O-CA 3.22Å; Q991-P1008 VanDerWaalsContact O-CB 3.28Å; Q991-P1008 WeakPolarHBondContact O-CB 3.35Å; P1008-K1010 PolarHBondContact O-N 3.36Å |
| 1009 | E | 71.9 | Confident | 79.9 | Confident | 120 Ų | 120 | 67 Ų | 67 | 56% | 0.561 | 33% | 0.331 | S | S | * | . | trans | -67.2 | 112.8 | 165.9 | -158.2 | 164.6 | -155.4 | 0 | 0 | 107 | P989 V1007 | P989-E1009 WeakPolarHBondContact CG-OE2 3.44Å; V1007-E1009 PolarHBondContact O-N 3.02Å | ||
| 1010 | K | 57 | Low | 79.7 | Confident | 199 Ų | 199 | 68.5 Ų | 68.5 | 87% | 0.865 | 33% | 0.329 | S | S | * | . | trans | -92.5 | 0 | -178.8 | -87.8 | -162.1 | 176.7 | -166.1 | 0 | 111.1 | P939 N940 P1008 | P939-K1010 PolarHBondContact O-NZ 2.94Å; N940-K1010 PolarHBondContact OD1-NZ 2.95Å; P1008-K1010 PolarHBondContact O-N 3.36Å |
Retrieved 1,010 of 1,010 residues in 1527.4 ms
(Link to these results)