| 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 | 27.9 | Very low | 51.8 | Low | 170 Ų | 170 | 52.1 Ų | 52.1 | 84% | 0.837 | 29% | 0.287 | S | S | * | . | 0 | -37.8 | 0 | -78.4 | -167.3 | -154.3 | 0 | 0 | 112.4 | S3 L4 M5 | M1-S3 VanDerWaalsContact C-N 3.35Å; M1-S3 PolarHBondContact O-N 3.38Å; M1-L4 WeakPolarHBondContact O-CB 3.44Å; M1-L4 PolarHBondContact O-N 2.92Å; M1-M5 PolarHBondContact O-N 2.9Å | |||
| 2 | A | 28.2 | Very low | 54.6 | Low | 54 Ų | 54 | 49.2 Ų | 49.2 | 45% | 0.446 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -52.1 | -42.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L4 M5 N6 | A2-L4 PolarHBondContact O-N 3.22Å; A2-M5 PolarHBondContact O-N 3.24Å; A2-N6 PolarHBondContact O-N 2.86Å; A2-N6 VanDerWaalsContact O-N 3.09Å |
| 3 | S | 36.8 | Very low | 56.5 | Low | 71 Ų | 71 | 47.3 Ų | 47.3 | 50% | 0.497 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -68.8 | -31.2 | 177.6 | 75.7 | 0 | 0 | 0 | 0 | 114 | M1 M5 | M1-S3 VanDerWaalsContact C-N 3.35Å; M1-S3 PolarHBondContact O-N 3.38Å; S3-M5 VanDerWaalsContact C-N 3.28Å; S3-M5 PolarHBondContact O-N 2.9Å |
| 4 | L | 39.2 | Very low | 57.9 | Low | 55 Ų | 55 | 47.9 Ų | 47.9 | 29% | 0.288 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -69.8 | -25.7 | 174.9 | -80.7 | 154.9 | 0 | 0 | 0 | 111.8 | M1 A2 N552 Q555 | M1-L4 WeakPolarHBondContact O-CB 3.44Å; M1-L4 PolarHBondContact O-N 2.92Å; A2-L4 PolarHBondContact O-N 3.22Å; L4-N552 HydrophobicContact CD1-CB 4.39Å; L4-N552 WeakPolarHBondContact CD2-O 3.33Å; L4-Q555 HydrophobicContact CD2-CB 4.02Å |
| 5 | M | 41.4 | Very low | 59.5 | Low | 27 Ų | 27 | 45.9 Ų | 45.9 | 13% | 0.133 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -91.2 | -24.9 | 178.7 | -69.4 | -157.5 | -179.6 | 0 | 0 | 114.5 | M1 A2 S3 S7 Q83 T86 | M1-M5 PolarHBondContact O-N 2.9Å; A2-M5 PolarHBondContact O-N 3.24Å; S3-M5 VanDerWaalsContact C-N 3.28Å; S3-M5 PolarHBondContact O-N 2.9Å; M5-S7 CarbonylContact O-C 3.59Å; M5-S7 PolarHBondContact O-N 2.85Å; M5-S7 VanDerWaalsContact O-N 3.15Å; M5-Q83 HydrophobicContact SD-CB 3.91Å; M5-Q83 HydrophobicContact SD-CG 3.74Å; M5-T86 HydrophobicContact CE-CG2 3.24Å |
| 6 | N | 42.2 | Very low | 61 | Low | 90 Ų | 90 | 44.9 Ų | 44.9 | 48% | 0.481 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.4 | -22.4 | 170.5 | -85.4 | -7.9 | 0 | 0 | 0 | 112.6 | A2 R8 Y120 | A2-N6 PolarHBondContact O-N 2.86Å; A2-N6 VanDerWaalsContact O-N 3.09Å; N6-R8 PolarHBondContact O-N 3.28Å; N6-R8 VanDerWaalsContact O-N 3.15Å; N6-Y120 WeakPolarHBondContact O-CE1 3.37Å; N6-Y120 VanDerWaalsContact O-CZ 3.23Å |
| 7 | S | 53.2 | Low | 62.4 | Low | 19 Ų | 19 | 43.3 Ų | 43.3 | 13% | 0.133 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -71.8 | 100.9 | 166.3 | 151.5 | 0 | 0 | 0 | 0 | 109.6 | M5 R9 | M5-S7 CarbonylContact O-C 3.59Å; M5-S7 PolarHBondContact O-N 2.85Å; M5-S7 VanDerWaalsContact O-N 3.15Å; S7-R9 PolarHBondContact O-N 3.11Å; S7-R9 WeakPolarHBondContact OG-CB 3.32Å; S7-R9 WeakPolarHBondContact OG-CD 3.17Å; S7-R9 WeakPolarHBondContact OG-CG 3.3Å |
| 8 | R | 60.6 | Low | 63.7 | Low | 37 Ų | 37 | 47.2 Ų | 47.2 | 14% | 0.14 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -65.8 | 20.3 | 173.7 | -66.3 | -175.2 | 178.9 | 169.1 | 1.1 | 114.2 | N6 W10 F11 A79 Y120 Q145 | N6-R8 PolarHBondContact O-N 3.28Å; N6-R8 VanDerWaalsContact O-N 3.15Å; R8-W10 HydrophobicContact CB-CZ2 4.31Å; R8-W10 HydrophobicContact CG-CZ2 4.2Å; R8-W10 PolarHBondContact O-N 2.73Å; R8-W10 VanDerWaalsContact O-N 3.11Å; R8-F11 WeakPolarHBondContact O-CB 3.45Å; R8-F11 PolarHBondContact O-N 2.78Å; R8-A79 HydrophobicContact CG-CB 4.1Å; R8-Y120 HydrophobicContact CG-CE2 4.29Å; R8-Q145 PolarHBondContact NH1-O 3.41Å |
| 9 | R | 71 | Confident | 64.8 | Low | 25 Ų | 25 | 49 Ų | 49 | 9% | 0.094 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -62.8 | -19.6 | -174.3 | -73.6 | 177.5 | -178.3 | -96.9 | 0.9 | 113.7 | S7 F11 N107 A108 D110 N237 | S7-R9 PolarHBondContact O-N 3.11Å; S7-R9 WeakPolarHBondContact OG-CB 3.32Å; S7-R9 WeakPolarHBondContact OG-CD 3.17Å; S7-R9 WeakPolarHBondContact OG-CG 3.3Å; R9-F11 PolarHBondContact O-N 3.48Å; R9-F11 VanDerWaalsContact O-N 3.15Å; R9-N107 HydrophobicContact CB-CB 3.81Å; R9-N107 VanDerWaalsContact CB-CG 3.47Å; R9-N107 CarbonylContact O-C 3.5Å; R9-N107 VanDerWaalsContact O-CA 3.24Å; R9-N107 WeakPolarHBondContact O-CA 3.4Å; R9-A108 PolarHBondContact O-N 3.38Å; R9-D110 IonicContact CZ-OD1 2.62Å; R9-D110 IonicContact NH1-OD1 3.86Å; R9-D110 PolarHBondContact NH1-OD1 3.48Å; R9-D110 IonicContact NH1-OD2 2.64Å; R9-D110 IonicContact NH2-OD1 2.99Å; R9-D110 PolarHBondContact NH2-OD1 3.03Å; R9-N237 PolarHBondContact NH1-ND2 2.78Å |
| 10 | W | 83.4 | Confident | 66 | Low | 8 Ų | 8 | 46.6 Ų | 46.6 | 3% | 0.03 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -66.7 | -7.2 | 171.2 | 44.9 | -99.8 | 0 | 0 | 0 | 113.4 | R8 H12 F33 L34 V35 L78 A79 V82 P105 N107 | R8-W10 HydrophobicContact CB-CZ2 4.31Å; R8-W10 HydrophobicContact CG-CZ2 4.2Å; R8-W10 PolarHBondContact O-N 2.73Å; R8-W10 VanDerWaalsContact O-N 3.11Å; W10-H12 PolarHBondContact O-CD2 3.34Å; W10-F33 HydrophobicContact CB-CE2 4.03Å; W10-F33 HydrophobicContact CG-CE2 4.15Å; W10-L34 WeakPolarHBondContact O-CA 3.36Å; W10-V35 HydrophobicContact CD2-CG2 4.44Å; W10-V35 HydrophobicContact CE3-CB 3.47Å; W10-V35 VanDerWaalsContact CE3-CB 3.47Å; W10-V35 HydrophobicContact CE3-CG1 4.5Å; W10-V35 HydrophobicContact CE3-CG2 3.35Å; W10-V35 HydrophobicContact CZ3-CB 3.45Å; W10-V35 VanDerWaalsContact CZ3-CB 3.45Å; W10-V35 HydrophobicContact CZ3-CG1 4.01Å; W10-V35 HydrophobicContact CZ3-CG2 3.41Å; W10-V35 VanDerWaalsContact CZ3-CG2 3.41Å; W10-V35 PolarHBondContact O-N 3.45Å; W10-L78 HydrophobicContact CH2-CB 3.8Å; W10-L78 HydrophobicContact CZ3-CB 4.43Å; W10-A79 HydrophobicContact CZ2-CB 4.2Å; W10-V82 HydrophobicContact CD2-CG1 4.14Å; W10-V82 HydrophobicContact CD2-CG2 4.17Å; W10-V82 HydrophobicContact CE3-CG2 4.02Å; W10-V82 HydrophobicContact CG-CG1 4.4Å; W10-V82 HydrophobicContact CH2-CB 4.33Å; W10-V82 HydrophobicContact CH2-CG2 3.76Å; W10-V82 HydrophobicContact CZ2-CB 4Å; W10-V82 HydrophobicContact CZ2-CG1 4.34Å; W10-V82 HydrophobicContact CZ2-CG2 3.91Å; W10-V82 HydrophobicContact CZ3-CG2 3.8Å; W10-P105 HydrophobicContact CB-CB 4.09Å; W10-N107 PolarHBondContact N-OD1 2.64Å |
| 11 | F | 86.1 | Confident | 67.2 | Low | 17 Ų | 17 | 48 Ų | 48 | 8% | 0.075 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -84.3 | 125.1 | 175.9 | -174.7 | -101.3 | 0 | 0 | 0 | 111.8 | R8 R9 P13 V35 P37 F45 A108 P148 G149 | R8-F11 WeakPolarHBondContact O-CB 3.45Å; R8-F11 PolarHBondContact O-N 2.78Å; R9-F11 PolarHBondContact O-N 3.48Å; R9-F11 VanDerWaalsContact O-N 3.15Å; F11-P13 HydrophobicContact CE1-CB 3.95Å; F11-V35 CarbonylContact C-O 3.57Å; F11-V35 WeakPolarHBondContact CA-O 3.46Å; F11-V35 HydrophobicContact CD2-CB 4.19Å; F11-V35 HydrophobicContact CD2-CG1 3.98Å; F11-V35 HydrophobicContact CE2-CG1 4.32Å; F11-P37 HydrophobicContact CZ-CG 3.96Å; F11-F45 AromaticContact CE2-CD1 3.55Å; F11-F45 HydrophobicContact CE2-CD1 3.55Å; F11-F45 AromaticContact CE2-CE1 3.55Å; F11-F45 HydrophobicContact CE2-CE1 3.55Å; F11-F45 HydrophobicContact CZ-CD1 4.15Å; F11-F45 AromaticContact CZ-CE1 3.75Å; F11-F45 HydrophobicContact CZ-CE1 3.75Å; F11-A108 WeakPolarHBondContact O-CB 3.47Å; F11-P148 HydrophobicContact CD1-CB 4.46Å; F11-P148 HydrophobicContact CE1-CB 4.34Å; F11-P148 HydrophobicContact CZ-CB 4.44Å; F11-G149 VanDerWaalsContact CE1-CA 3.5Å |
| 12 | H | 85 | Confident | 69.9 | Low | 17 Ų | 17 | 44.7 Ų | 44.7 | 8% | 0.079 | 25% | 0.247 | C | C | . | . | trans | -114.1 | 108.8 | 177.4 | -71.1 | -107.8 | 0 | 0 | 0 | 110.4 | W10 C14 L15 V35 R36 P37 F106 A108 | W10-H12 PolarHBondContact O-CD2 3.34Å; H12-C14 VanDerWaalsContact C-N 3.29Å; H12-C14 PolarHBondContact O-N 3.02Å; H12-L15 HydrophobicContact CB-CB 4.1Å; H12-L15 HydrophobicContact CB-CD1 3.53Å; H12-L15 HydrophobicContact CB-CG 3.64Å; H12-L15 VanDerWaalsContact CG-CD1 3.41Å; H12-L15 VanDerWaalsContact ND1-CD1 3.29Å; H12-L15 WeakPolarHBondContact ND1-CD1 3.4Å; H12-V35 PolarHBondContact N-O 3.1Å; H12-R36 WeakPolarHBondContact O-CA 3.39Å; H12-R36 WeakPolarHBondContact O-CB 3.37Å; H12-P37 WeakPolarHBondContact O-CD 3.48Å; H12-F106 AromaticContact CE1-CD1 3.82Å; H12-F106 AromaticContact NE2-CD1 3.7Å; H12-F106 PolarHBondContact NE2-O 3.1Å; H12-A108 VanDerWaalsContact CE1-CA 3.45Å; H12-A108 WeakPolarHBondContact CE1-CA 3.5Å; H12-A108 PolarHBondContact NE2-N 3.14Å | ||
| 13 | P | 79.2 | Confident | 72.6 | Confident | 25 Ų | 25 | 44.3 Ų | 44.3 | 16% | 0.162 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -71.5 | -22.7 | -173 | 26 | -33.1 | 0 | 0 | 0 | 113.4 | F11 F168 | F11-P13 HydrophobicContact CE1-CB 3.95Å; P13-F168 HydrophobicContact CB-CD1 3.75Å; P13-F168 HydrophobicContact CB-CE1 3.98Å; P13-F168 HydrophobicContact CG-CD1 4.26Å; P13-F168 HydrophobicContact CG-CE1 4.28Å |
| 14 | C | 76.3 | Confident | 75.1 | Confident | 55 Ų | 55 | 40.9 Ų | 40.9 | 37% | 0.372 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -102.5 | -23.4 | -171.4 | -50.6 | 0 | 0 | 0 | 0 | 114.5 | H12 T16 R39 F168 | H12-C14 VanDerWaalsContact C-N 3.29Å; H12-C14 PolarHBondContact O-N 3.02Å; C14-T16 PolarHBondContact O-N 2.86Å; C14-R39 PolarHBondContact O-NH2 3.36Å; C14-F168 HydrophobicContact CB-CE1 4.43Å; C14-F168 WeakPolarHBondContact SG-CE1 3.36Å; C14-F168 WeakPolarHBondContact SG-CZ 3.27Å |
| 15 | L | 82.1 | Confident | 77.2 | Confident | 18 Ų | 18 | 41.7 Ų | 41.7 | 9% | 0.094 | 22% | 0.216 | C | C | . | . | trans | -66 | 130.7 | -161.2 | -70.7 | -176.9 | 0 | 0 | 0 | 111.7 | H12 Q19 A20 L23 L34 R36 | H12-L15 HydrophobicContact CB-CB 4.1Å; H12-L15 HydrophobicContact CB-CD1 3.53Å; H12-L15 HydrophobicContact CB-CG 3.64Å; H12-L15 VanDerWaalsContact CG-CD1 3.41Å; H12-L15 VanDerWaalsContact ND1-CD1 3.29Å; H12-L15 WeakPolarHBondContact ND1-CD1 3.4Å; L15-Q19 HydrophobicContact CD2-CB 3.86Å; L15-A20 HydrophobicContact CB-CB 4.39Å; L15-A20 HydrophobicContact CD1-CB 4.33Å; L15-L23 HydrophobicContact CD1-CD1 3.61Å; L15-L23 HydrophobicContact CD2-CD1 3.38Å; L15-L23 HydrophobicContact CG-CD1 4.15Å; L15-L34 HydrophobicContact CD1-CD1 4.06Å; L15-L34 HydrophobicContact CD1-CD2 3.66Å; L15-R36 HydrophobicContact CB-CB 4.39Å; L15-R36 WeakPolarHBondContact O-CD 3.33Å | ||
| 16 | T | 83.1 | Confident | 79.1 | Confident | 31 Ų | 31 | 47.3 Ų | 47.3 | 19% | 0.19 | 24% | 0.242 | C | C | . | . | trans | -76.6 | 165.8 | 163 | 60.7 | 0 | 0 | 0 | 0 | 110.1 | C14 I18 Q19 A20 | C14-T16 PolarHBondContact O-N 2.86Å; T16-I18 VanDerWaalsContact C-N 3.31Å; T16-I18 PolarHBondContact O-N 2.87Å; T16-Q19 PolarHBondContact O-N 3.37Å; T16-Q19 WeakPolarHBondContact OG1-CB 3.17Å; T16-Q19 VanDerWaalsContact OG1-CD 3.3Å; T16-Q19 WeakPolarHBondContact OG1-CG 3.04Å; T16-Q19 PolarHBondContact OG1-N 3.17Å; T16-Q19 VanDerWaalsContact OG1-N 3.16Å; T16-Q19 PolarHBondContact OG1-OE1 2.81Å; T16-A20 VanDerWaalsContact O-CB 3.32Å; T16-A20 WeakPolarHBondContact O-CB 3.19Å; T16-A20 PolarHBondContact O-N 3.48Å | ||
| 17 | G | 85.6 | Confident | 80.8 | Confident | 17 Ų | 17 | 50.4 Ų | 50.4 | 18% | 0.175 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -53.8 | -49.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q19 A20 E21 | G17-Q19 PolarHBondContact O-N 2.94Å; G17-A20 WeakPolarHBondContact O-CB 3.48Å; G17-A20 PolarHBondContact O-N 2.93Å; G17-E21 WeakPolarHBondContact O-CG 3.46Å; G17-E21 PolarHBondContact O-N 3.03Å |
| 18 | I | 85.3 | Confident | 82 | Confident | 113 Ų | 113 | 49.6 Ų | 49.6 | 58% | 0.579 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -62.7 | -43.8 | -179.7 | -60 | 169.1 | 0 | 0 | 0 | 112 | T16 E21 Q22 | T16-I18 VanDerWaalsContact C-N 3.31Å; T16-I18 PolarHBondContact O-N 2.87Å; I18-E21 WeakPolarHBondContact O-CB 3.37Å; I18-E21 PolarHBondContact O-N 3.41Å; I18-Q22 WeakPolarHBondContact O-CG 3.44Å; I18-Q22 PolarHBondContact O-N 3.05Å |
| 19 | Q | 85 | Confident | 83 | Confident | 82 Ų | 82 | 49 Ų | 49 | 38% | 0.383 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -67.4 | -38 | 177.5 | -71.5 | 165.5 | -38.3 | 0 | 0 | 111.8 | L15 T16 G17 E21 Q22 L23 | L15-Q19 HydrophobicContact CD2-CB 3.86Å; T16-Q19 PolarHBondContact O-N 3.37Å; T16-Q19 WeakPolarHBondContact OG1-CB 3.17Å; T16-Q19 VanDerWaalsContact OG1-CD 3.3Å; T16-Q19 WeakPolarHBondContact OG1-CG 3.04Å; T16-Q19 PolarHBondContact OG1-N 3.17Å; T16-Q19 VanDerWaalsContact OG1-N 3.16Å; T16-Q19 PolarHBondContact OG1-OE1 2.81Å; G17-Q19 PolarHBondContact O-N 2.94Å; Q19-E21 VanDerWaalsContact C-N 3.31Å; Q19-Q22 PolarHBondContact O-N 3.28Å; Q19-L23 WeakPolarHBondContact O-CB 3.44Å; Q19-L23 VanDerWaalsContact O-CG 3.3Å; Q19-L23 WeakPolarHBondContact O-CG 3.21Å; Q19-L23 PolarHBondContact O-N 3.32Å |
| 20 | A | 88 | Confident | 83.7 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.2 | -42.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | L15 T16 G17 L23 L24 L34 | L15-A20 HydrophobicContact CB-CB 4.39Å; L15-A20 HydrophobicContact CD1-CB 4.33Å; T16-A20 VanDerWaalsContact O-CB 3.32Å; T16-A20 WeakPolarHBondContact O-CB 3.19Å; T16-A20 PolarHBondContact O-N 3.48Å; G17-A20 WeakPolarHBondContact O-CB 3.48Å; G17-A20 PolarHBondContact O-N 2.93Å; A20-L23 PolarHBondContact O-N 3.4Å; A20-L24 VanDerWaalsContact O-CB 3.24Å; A20-L24 WeakPolarHBondContact O-CB 3.48Å; A20-L24 VanDerWaalsContact O-CG 3.25Å; A20-L24 WeakPolarHBondContact O-CG 3.31Å; A20-L24 PolarHBondContact O-N 3.45Å; A20-L34 HydrophobicContact CB-CD1 3.95Å; A20-L34 HydrophobicContact CB-CD2 4.28Å |
| 21 | E | 90.7 | Very high | 83.9 | Confident | 78 Ų | 78 | 49.5 Ų | 49.5 | 36% | 0.364 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.3 | -50.4 | 174.1 | -69.8 | 175.8 | -177.2 | 0 | 0 | 111.5 | G17 I18 Q19 L23 L24 M25 I55 H57 | G17-E21 WeakPolarHBondContact O-CG 3.46Å; G17-E21 PolarHBondContact O-N 3.03Å; I18-E21 WeakPolarHBondContact O-CB 3.37Å; I18-E21 PolarHBondContact O-N 3.41Å; Q19-E21 VanDerWaalsContact C-N 3.31Å; E21-L23 PolarHBondContact O-N 2.73Å; E21-L24 PolarHBondContact O-N 3.44Å; E21-M25 VanDerWaalsContact O-CB 3.24Å; E21-M25 WeakPolarHBondContact O-CB 3.48Å; E21-M25 WeakPolarHBondContact O-CG 3.44Å; E21-M25 PolarHBondContact O-N 2.82Å; E21-I55 HydrophobicContact CB-CG1 4.08Å; E21-I55 HydrophobicContact CG-CB 3.86Å; E21-I55 HydrophobicContact CG-CG1 3.92Å; E21-I55 HydrophobicContact CG-CG2 3.99Å; E21-H57 IonicContact OE1-CD2 3.02Å; E21-H57 IonicContact OE1-NE2 2.61Å; E21-H57 PolarHBondContact OE1-NE2 3.15Å; E21-H57 VanDerWaalsContact OE1-NE2 3.12Å |
| 22 | Q | 85.6 | Confident | 84.1 | Confident | 100 Ų | 100 | 48.9 Ų | 48.9 | 47% | 0.467 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58.2 | -46.8 | 178 | -73.2 | 173.6 | -6.9 | 0 | 0 | 112 | I18 Q19 M25 Q26 | I18-Q22 WeakPolarHBondContact O-CG 3.44Å; I18-Q22 PolarHBondContact O-N 3.05Å; Q19-Q22 PolarHBondContact O-N 3.28Å; Q22-M25 PolarHBondContact O-N 2.82Å; Q22-Q26 WeakPolarHBondContact O-CB 3.35Å; Q22-Q26 WeakPolarHBondContact O-CG 3.45Å; Q22-Q26 PolarHBondContact O-N 2.99Å |
| 23 | L | 85 | Confident | 84.5 | Confident | 45 Ų | 45 | 48.1 Ų | 48.1 | 24% | 0.236 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.5 | -45.5 | -180 | -75.8 | 171.4 | 0 | 0 | 0 | 112.2 | L15 Q19 A20 E21 Q26 R27 G28 F106 | L15-L23 HydrophobicContact CD1-CD1 3.61Å; L15-L23 HydrophobicContact CD2-CD1 3.38Å; L15-L23 HydrophobicContact CG-CD1 4.15Å; Q19-L23 WeakPolarHBondContact O-CB 3.44Å; Q19-L23 VanDerWaalsContact O-CG 3.3Å; Q19-L23 WeakPolarHBondContact O-CG 3.21Å; Q19-L23 PolarHBondContact O-N 3.32Å; A20-L23 PolarHBondContact O-N 3.4Å; E21-L23 PolarHBondContact O-N 2.73Å; L23-Q26 PolarHBondContact O-N 2.92Å; L23-R27 WeakPolarHBondContact O-CB 3.46Å; L23-R27 PolarHBondContact O-N 3.28Å; L23-G28 PolarHBondContact O-N 2.83Å; L23-F106 HydrophobicContact CB-CE1 4.13Å; L23-F106 HydrophobicContact CB-CZ 4.14Å |
| 24 | L | 88.2 | Confident | 85.1 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.7 | -37.7 | 178.4 | -73.2 | 172.5 | 0 | 0 | 0 | 111.4 | A20 E21 G28 L34 R50 I55 F106 | A20-L24 VanDerWaalsContact O-CB 3.24Å; A20-L24 WeakPolarHBondContact O-CB 3.48Å; A20-L24 VanDerWaalsContact O-CG 3.25Å; A20-L24 WeakPolarHBondContact O-CG 3.31Å; A20-L24 PolarHBondContact O-N 3.45Å; E21-L24 PolarHBondContact O-N 3.44Å; L24-G28 CarbonylContact O-C 3.57Å; L24-G28 WeakPolarHBondContact O-CA 3.21Å; L24-G28 PolarHBondContact O-N 2.78Å; L24-L34 HydrophobicContact CD1-CD2 4.17Å; L24-L34 HydrophobicContact CD1-CG 4.24Å; L24-L34 HydrophobicContact CD2-CD2 4.08Å; L24-L34 HydrophobicContact CG-CD2 3.91Å; L24-L34 HydrophobicContact CG-CG 4.46Å; L24-R50 HydrophobicContact CB-CB 4.27Å; L24-R50 WeakPolarHBondContact O-CD 3.07Å; L24-R50 PolarHBondContact O-NH1 2.85Å; L24-I55 HydrophobicContact CB-CD1 3.68Å; L24-I55 HydrophobicContact CD1-CD1 4.27Å; L24-I55 HydrophobicContact CD1-CG2 4.11Å; L24-F106 HydrophobicContact CD2-CB 3.96Å; L24-F106 HydrophobicContact CD2-CD2 4.15Å; L24-F106 HydrophobicContact CD2-CG 4.01Å |
| 25 | M | 84.9 | Confident | 85.9 | Confident | 71 Ų | 71 | 44.3 Ų | 44.3 | 35% | 0.35 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -71.1 | -40.4 | 175.5 | -71.8 | -57.4 | -162.9 | 0 | 0 | 112.9 | E21 Q22 R50 S53 I55 | E21-M25 VanDerWaalsContact O-CB 3.24Å; E21-M25 WeakPolarHBondContact O-CB 3.48Å; E21-M25 WeakPolarHBondContact O-CG 3.44Å; E21-M25 PolarHBondContact O-N 2.82Å; Q22-M25 PolarHBondContact O-N 2.82Å; M25-R50 PolarHBondContact O-NH1 3.07Å; M25-S53 WeakPolarHBondContact CE-O 3.37Å; M25-I55 HydrophobicContact CE-CD1 3.88Å; M25-I55 HydrophobicContact CE-CG1 3.69Å; M25-I55 HydrophobicContact CG-CD1 4.08Å; M25-I55 HydrophobicContact CG-CG1 4.17Å; M25-I55 HydrophobicContact SD-CD1 3.88Å; M25-I55 HydrophobicContact SD-CG1 4.25Å |
| 26 | Q | 80.2 | Confident | 86.4 | Confident | 145 Ų | 145 | 44 Ų | 44 | 68% | 0.678 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -78.5 | -36.1 | -177.4 | -72.3 | 173.6 | 9.4 | 0 | 0 | 113 | Q22 L23 | Q22-Q26 WeakPolarHBondContact O-CB 3.35Å; Q22-Q26 WeakPolarHBondContact O-CG 3.45Å; Q22-Q26 PolarHBondContact O-N 2.99Å; L23-Q26 PolarHBondContact O-N 2.92Å |
| 27 | R | 78.7 | Confident | 86.6 | Confident | 156 Ų | 156 | 44 Ų | 44 | 59% | 0.589 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -132.2 | -16.3 | -168.5 | -56.5 | -179.5 | 81.7 | -177.7 | 5.9 | 114.1 | L23 F29 F106 | L23-R27 WeakPolarHBondContact O-CB 3.46Å; L23-R27 PolarHBondContact O-N 3.28Å; R27-F29 WeakPolarHBondContact O-CE2 3.43Å; R27-F106 HydrophobicContact CB-CE2 3.8Å; R27-F106 HydrophobicContact CB-CZ 4.04Å |
| 28 | G | 78.8 | Confident | 86.7 | Confident | 2 Ų | 2 | 43.8 Ų | 43.8 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | trans | -79 | -179 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L23 L24 R50 | L23-G28 PolarHBondContact O-N 2.83Å; L24-G28 CarbonylContact O-C 3.57Å; L24-G28 WeakPolarHBondContact O-CA 3.21Å; L24-G28 PolarHBondContact O-N 2.78Å; G28-R50 PolarHBondContact O-NH1 3.03Å | ||
| 29 | F | 81.4 | Confident | 86.5 | Confident | 25 Ų | 25 | 43.5 Ų | 43.5 | 11% | 0.11 | 20% | 0.199 | C | C | . | . | trans | -136.9 | 171.3 | 178.3 | -55.1 | -79.8 | 0 | 0 | 0 | 110.2 | R27 G31 S32 R50 Y104 Q600 K603 E607 | R27-F29 WeakPolarHBondContact O-CE2 3.43Å; F29-G31 PolarHBondContact O-N 3.4Å; F29-S32 PolarHBondContact N-OG 3.41Å; F29-S32 WeakPolarHBondContact O-CA 3.42Å; F29-S32 WeakPolarHBondContact O-CB 3.44Å; F29-S32 PolarHBondContact O-N 3.13Å; F29-S32 PolarHBondContact O-OG 3.3Å; F29-R50 WeakPolarHBondContact O-CB 3.21Å; F29-R50 WeakPolarHBondContact O-CG 3.38Å; F29-Y104 HydrophobicContact CB-CD2 4.31Å; F29-Q600 HydrophobicContact CZ-CB 4.39Å; F29-Q600 HydrophobicContact CZ-CG 4.26Å; F29-K603 HydrophobicContact CB-CB 4.25Å; F29-K603 HydrophobicContact CB-CD 4.12Å; F29-K603 HydrophobicContact CD1-CB 3.08Å; F29-K603 HydrophobicContact CD1-CD 3.79Å; F29-K603 HydrophobicContact CD1-CG 4.09Å; F29-K603 HydrophobicContact CD2-CB 4.08Å; F29-K603 HydrophobicContact CD2-CD 3.11Å; F29-K603 HydrophobicContact CD2-CG 4.25Å; F29-K603 HydrophobicContact CE1-CB 3.21Å; F29-K603 HydrophobicContact CE1-CD 3.9Å; F29-K603 HydrophobicContact CE1-CG 4.23Å; F29-K603 HydrophobicContact CE2-CB 4.19Å; F29-K603 HydrophobicContact CE2-CD 3.25Å; F29-K603 HydrophobicContact CE2-CG 4.39Å; F29-K603 HydrophobicContact CG-CB 3.51Å; F29-K603 HydrophobicContact CG-CD 3.35Å; F29-K603 HydrophobicContact CG-CG 4.06Å; F29-K603 HydrophobicContact CZ-CB 3.77Å; F29-K603 HydrophobicContact CZ-CD 3.64Å; F29-K603 HydrophobicContact CZ-CG 4.36Å; F29-E607 WeakPolarHBondContact CA-OE1 3.43Å | ||
| 30 | D | 86.1 | Confident | 86.4 | Confident | 43 Ų | 43 | 43.7 Ų | 43.7 | 23% | 0.23 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 123.4 | 172.7 | -170.9 | 44.6 | 0 | 0 | 0 | 111.6 | S32 R51 G52 Y104 E607 | D30-S32 VanDerWaalsContact C-N 3.33Å; D30-R51 VanDerWaalsContact OD1-CA 3.25Å; D30-R51 WeakPolarHBondContact OD1-CA 3.09Å; D30-G52 PolarHBondContact OD1-N 2.92Å; D30-Y104 WeakPolarHBondContact O-CD2 3.38Å; D30-Y104 WeakPolarHBondContact O-CE2 3.44Å; D30-E607 PolarHBondContact N-OE1 3.47Å |
| 31 | G | 87.5 | Confident | 86.3 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80 | 5 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | F29 R50 P101 K103 Y104 | F29-G31 PolarHBondContact O-N 3.4Å; G31-R50 WeakPolarHBondContact CA-O 3.39Å; G31-R50 PolarHBondContact N-O 3.36Å; G31-P101 VanDerWaalsContact CA-O 3.25Å; G31-P101 WeakPolarHBondContact CA-O 3.43Å; G31-K103 PolarHBondContact O-N 3.07Å; G31-Y104 PolarHBondContact O-N 2.8Å |
| 32 | S | 89.8 | Confident | 86 | Confident | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 141 | 167.4 | -75.6 | 0 | 0 | 0 | 0 | 111.5 | F29 D30 V49 R50 Y104 | F29-S32 PolarHBondContact N-OG 3.41Å; F29-S32 WeakPolarHBondContact O-CA 3.42Å; F29-S32 WeakPolarHBondContact O-CB 3.44Å; F29-S32 PolarHBondContact O-N 3.13Å; F29-S32 PolarHBondContact O-OG 3.3Å; D30-S32 VanDerWaalsContact C-N 3.33Å; S32-V49 CarbonylContact O-C 3.55Å; S32-V49 WeakPolarHBondContact O-CA 3.24Å; S32-R50 PolarHBondContact O-N 2.82Å; S32-Y104 CarbonylContact C-O 3.55Å; S32-Y104 WeakPolarHBondContact CA-O 3.49Å |
| 33 | F | 93.1 | Very high | 85.9 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 0% | 0.004 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 154.6 | -175.7 | 71.7 | -93.2 | 0 | 0 | 0 | 113.5 | W10 L47 S48 V49 V82 L102 Y104 P105 F106 | W10-F33 HydrophobicContact CB-CE2 4.03Å; W10-F33 HydrophobicContact CG-CE2 4.15Å; F33-L47 HydrophobicContact CB-CD1 4.08Å; F33-L47 HydrophobicContact CD2-CD1 3.89Å; F33-L47 HydrophobicContact CG-CD1 4.37Å; F33-S48 CarbonylContact C-O 3.58Å; F33-S48 WeakPolarHBondContact CA-O 3.3Å; F33-V49 HydrophobicContact CB-CG1 4.4Å; F33-V49 HydrophobicContact CB-CG2 4.07Å; F33-V82 HydrophobicContact CE2-CG1 3.59Å; F33-V82 HydrophobicContact CZ-CG1 3.87Å; F33-L102 HydrophobicContact CB-CD1 3.38Å; F33-L102 HydrophobicContact CD1-CB 4.48Å; F33-L102 HydrophobicContact CD1-CD1 3.35Å; F33-L102 HydrophobicContact CD1-CG 3.59Å; F33-L102 HydrophobicContact CD2-CD1 3.55Å; F33-L102 HydrophobicContact CD2-CG 4.18Å; F33-L102 HydrophobicContact CE1-CD1 3.87Å; F33-L102 HydrophobicContact CE1-CD2 4.49Å; F33-L102 HydrophobicContact CE1-CG 3.59Å; F33-L102 HydrophobicContact CE2-CD1 4.06Å; F33-L102 HydrophobicContact CE2-CD2 4.44Å; F33-L102 HydrophobicContact CE2-CG 4.2Å; F33-L102 HydrophobicContact CG-CD1 3.13Å; F33-L102 HydrophobicContact CG-CG 3.87Å; F33-L102 HydrophobicContact CZ-CD1 4.18Å; F33-L102 HydrophobicContact CZ-CD2 4.32Å; F33-L102 HydrophobicContact CZ-CG 3.89Å; F33-Y104 WeakPolarHBondContact CD1-O 3.41Å; F33-Y104 PolarHBondContact N-O 2.76Å; F33-P105 HydrophobicContact CE1-CB 4.12Å; F33-P105 HydrophobicContact CE1-CG 3.76Å; F33-P105 VanDerWaalsContact CE1-N 3.31Å; F33-P105 HydrophobicContact CE2-CB 4.28Å; F33-P105 HydrophobicContact CZ-CB 3.81Å; F33-P105 HydrophobicContact CZ-CG 3.59Å; F33-F106 WeakPolarHBondContact O-CA 3.18Å; F33-F106 WeakPolarHBondContact O-CB 3.44Å; F33-F106 PolarHBondContact O-N 2.79Å |
| 34 | L | 92.8 | Very high | 86.2 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 155.2 | 167.9 | 59.2 | 87.8 | 0 | 0 | 0 | 110 | W10 L15 A20 L24 R36 S48 F106 | W10-L34 WeakPolarHBondContact O-CA 3.36Å; L15-L34 HydrophobicContact CD1-CD1 4.06Å; L15-L34 HydrophobicContact CD1-CD2 3.66Å; A20-L34 HydrophobicContact CB-CD1 3.95Å; A20-L34 HydrophobicContact CB-CD2 4.28Å; L24-L34 HydrophobicContact CD1-CD2 4.17Å; L24-L34 HydrophobicContact CD1-CG 4.24Å; L24-L34 HydrophobicContact CD2-CD2 4.08Å; L24-L34 HydrophobicContact CG-CD2 3.91Å; L24-L34 HydrophobicContact CG-CG 4.46Å; L34-R36 HydrophobicContact CD1-CB 4.16Å; L34-R36 HydrophobicContact CD1-CG 4.05Å; L34-S48 PolarHBondContact N-O 3.3Å; L34-S48 PolarHBondContact O-N 3.22Å; L34-F106 HydrophobicContact CB-CB 4.26Å; L34-F106 HydrophobicContact CD2-CD1 3.86Å; L34-F106 HydrophobicContact CD2-CG 4.43Å |
| 35 | V | 93.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 143.4 | 169 | -178.4 | 0 | 0 | 0 | 0 | 108.5 | W10 F11 H12 F45 T46 L47 I60 V82 | W10-V35 HydrophobicContact CD2-CG2 4.44Å; W10-V35 HydrophobicContact CE3-CB 3.47Å; W10-V35 VanDerWaalsContact CE3-CB 3.47Å; W10-V35 HydrophobicContact CE3-CG1 4.5Å; W10-V35 HydrophobicContact CE3-CG2 3.35Å; W10-V35 HydrophobicContact CZ3-CB 3.45Å; W10-V35 VanDerWaalsContact CZ3-CB 3.45Å; W10-V35 HydrophobicContact CZ3-CG1 4.01Å; W10-V35 HydrophobicContact CZ3-CG2 3.41Å; W10-V35 VanDerWaalsContact CZ3-CG2 3.41Å; W10-V35 PolarHBondContact O-N 3.45Å; F11-V35 CarbonylContact C-O 3.57Å; F11-V35 WeakPolarHBondContact CA-O 3.46Å; F11-V35 HydrophobicContact CD2-CB 4.19Å; F11-V35 HydrophobicContact CD2-CG1 3.98Å; F11-V35 HydrophobicContact CE2-CG1 4.32Å; H12-V35 PolarHBondContact N-O 3.1Å; V35-F45 HydrophobicContact CG1-CB 4.05Å; V35-T46 WeakPolarHBondContact CA-O 3.49Å; V35-L47 HydrophobicContact CG2-CB 4.46Å; V35-L47 HydrophobicContact CG2-CD1 3.83Å; V35-I60 HydrophobicContact CG1-CD1 3.95Å; V35-I60 HydrophobicContact CG2-CD1 4.38Å; V35-V82 HydrophobicContact CG2-CG2 3.8Å |
| 36 | R | 91.4 | Very high | 86.9 | Confident | 13 Ų | 13 | 45.7 Ų | 45.7 | 5% | 0.049 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 161.1 | 179.1 | 54.4 | 173.1 | 179.8 | 75.8 | -1.9 | 110.2 | H12 L15 L34 F45 T46 S48 H57 | H12-R36 WeakPolarHBondContact O-CA 3.39Å; H12-R36 WeakPolarHBondContact O-CB 3.37Å; L15-R36 HydrophobicContact CB-CB 4.39Å; L15-R36 WeakPolarHBondContact O-CD 3.33Å; L34-R36 HydrophobicContact CD1-CB 4.16Å; L34-R36 HydrophobicContact CD1-CG 4.05Å; R36-F45 CarbonylContact O-C 3.57Å; R36-F45 WeakPolarHBondContact O-CA 3.33Å; R36-T46 WeakPolarHBondContact CG-O 3.48Å; R36-T46 PolarHBondContact N-O 2.9Å; R36-T46 PolarHBondContact O-N 3.11Å; R36-S48 PolarHBondContact NE-OG 2.8Å; R36-S48 VanDerWaalsContact NE-OG 3.09Å; R36-H57 PolarHBondContact NH2-ND1 2.85Å |
| 37 | P | 88 | Confident | 87.6 | Confident | 31 Ų | 31 | 38.8 Ų | 38.8 | 20% | 0.201 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 143 | 168 | -25.9 | 35.7 | 0 | 0 | 0 | 112.1 | F11 H12 | F11-P37 HydrophobicContact CZ-CG 3.96Å; H12-P37 WeakPolarHBondContact O-CD 3.48Å |
| 38 | S | 87.7 | Confident | 88.4 | Confident | 11 Ų | 11 | 31.3 Ų | 31.3 | 8% | 0.077 | 17% | 0.174 | C | C | . | . | trans | -71.8 | 136.5 | 172.5 | 177.5 | 0 | 0 | 0 | 0 | 109.7 | S40 T41 D44 | S38-S40 PolarHBondContact OG-N 2.9Å; S38-S40 PolarHBondContact OG-OG 2.77Å; S38-T41 WeakPolarHBondContact CB-O 3.36Å; S38-T41 PolarHBondContact OG-N 2.98Å; S38-T41 PolarHBondContact OG-O 3.31Å; S38-D44 VanDerWaalsContact CB-O 3.22Å; S38-D44 WeakPolarHBondContact CB-O 3.41Å; S38-D44 PolarHBondContact N-O 3.01Å | ||
| 39 | R | 81.3 | Confident | 89.2 | Confident | 108 Ų | 108 | 31.2 Ų | 31.2 | 41% | 0.408 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -98.6 | -12.5 | 176.9 | -60.6 | -59 | -171.6 | 178.5 | 2.6 | 112.6 | C14 | C14-R39 PolarHBondContact O-NH2 3.36Š|
| 40 | S | 83 | Confident | 89.7 | Confident | 86 Ų | 86 | 31.2 Ų | 31.2 | 60% | 0.601 | 17% | 0.172 | S | C | * | . | S | Bend | trans | -94.5 | -27.3 | 176.5 | 62.7 | 0 | 0 | 0 | 0 | 112.7 | S38 K59 | S38-S40 PolarHBondContact OG-N 2.9Å; S38-S40 PolarHBondContact OG-OG 2.77Å; S40-K59 PolarHBondContact OG-NZ 2.85Å |
| 41 | T | 84.9 | Confident | 89.9 | Confident | 46 Ų | 46 | 30.2 Ų | 30.2 | 28% | 0.282 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -133.8 | 116.8 | -175.8 | -45.6 | 0 | 0 | 0 | 0 | 107.1 | S38 D44 | S38-T41 WeakPolarHBondContact CB-O 3.36Å; S38-T41 PolarHBondContact OG-N 2.98Å; S38-T41 PolarHBondContact OG-O 3.31Å; T41-D44 HydrophobicContact CG2-CB 4.07Å; T41-D44 WeakPolarHBondContact CG2-OD2 3.45Å |
| 42 | E | 84.4 | Confident | 89.6 | Confident | 195 Ų | 195 | 32.1 Ų | 32.1 | 91% | 0.911 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | 143.1 | 179 | -172.2 | 169.9 | -171.1 | 0 | 0 | 110.7 | D44 | E42-D44 PolarHBondContact O-N 2.82Å; E42-D44 VanDerWaalsContact O-N 3.16Å |
| 43 | G | 84.7 | Confident | 89.4 | Confident | 52 Ų | 52 | 37.4 Ų | 37.4 | 54% | 0.536 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | -25.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | F45 S62 | G43-F45 WeakPolarHBondContact O-CE2 3.46Å; G43-S62 WeakPolarHBondContact O-CB 3.27Å |
| 44 | D | 90.8 | Very high | 89.3 | Confident | 11 Ų | 11 | 43.3 Ų | 43.3 | 6% | 0.059 | 24% | 0.244 | C | C | . | . | trans | -78.8 | 168.3 | 177.3 | -87.3 | 6.3 | 0 | 0 | 0 | 113.1 | S38 T41 E42 I60 Q61 S62 Y70 | S38-D44 VanDerWaalsContact CB-O 3.22Å; S38-D44 WeakPolarHBondContact CB-O 3.41Å; S38-D44 PolarHBondContact N-O 3.01Å; T41-D44 HydrophobicContact CG2-CB 4.07Å; T41-D44 WeakPolarHBondContact CG2-OD2 3.45Å; E42-D44 PolarHBondContact O-N 2.82Å; E42-D44 VanDerWaalsContact O-N 3.16Å; D44-I60 WeakPolarHBondContact CB-O 3.47Å; D44-Q61 WeakPolarHBondContact OD1-CA 3.42Å; D44-S62 PolarHBondContact OD1-N 3.24Å; D44-Y70 PolarHBondContact OD2-OH 2.81Å | ||
| 45 | F | 92.6 | Very high | 89.3 | Confident | 23 Ų | 23 | 44.4 Ų | 44.4 | 10% | 0.101 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 168.4 | 177.2 | -58.5 | -84.4 | 0 | 0 | 0 | 111.8 | F11 V35 R36 G43 I60 Y67 L78 | F11-F45 AromaticContact CE2-CD1 3.55Å; F11-F45 HydrophobicContact CE2-CD1 3.55Å; F11-F45 AromaticContact CE2-CE1 3.55Å; F11-F45 HydrophobicContact CE2-CE1 3.55Å; F11-F45 HydrophobicContact CZ-CD1 4.15Å; F11-F45 AromaticContact CZ-CE1 3.75Å; F11-F45 HydrophobicContact CZ-CE1 3.75Å; V35-F45 HydrophobicContact CG1-CB 4.05Å; R36-F45 CarbonylContact O-C 3.57Å; R36-F45 WeakPolarHBondContact O-CA 3.33Å; G43-F45 WeakPolarHBondContact O-CE2 3.46Å; F45-I60 HydrophobicContact CB-CB 3.97Å; F45-I60 HydrophobicContact CB-CD1 4.14Å; F45-I60 HydrophobicContact CB-CG2 4.37Å; F45-I60 PolarHBondContact N-O 3.34Å; F45-I60 PolarHBondContact O-N 2.88Å; F45-Y67 HydrophobicContact CD2-CD1 4.29Å; F45-Y67 HydrophobicContact CD2-CE1 4Å; F45-Y67 HydrophobicContact CE2-CD1 4.42Å; F45-Y67 AromaticContact CE2-CE1 3.69Å; F45-Y67 HydrophobicContact CE2-CE1 3.69Å; F45-L78 HydrophobicContact CB-CD2 4.33Å; F45-L78 HydrophobicContact CD1-CD1 3.96Å; F45-L78 HydrophobicContact CD2-CD1 3.84Å; F45-L78 HydrophobicContact CD2-CD2 3.92Å; F45-L78 HydrophobicContact CD2-CG 4.34Å; F45-L78 HydrophobicContact CE1-CD1 3.93Å; F45-L78 HydrophobicContact CE2-CD1 3.88Å; F45-L78 HydrophobicContact CG-CD1 3.88Å; F45-L78 HydrophobicContact CG-CD2 4.15Å; F45-L78 HydrophobicContact CZ-CD1 3.89Å |
| 46 | T | 94.4 | Very high | 89.3 | Confident | 8 Ų | 8 | 45.4 Ų | 45.4 | 5% | 0.049 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 122.8 | 175.2 | -54 | 0 | 0 | 0 | 0 | 109.8 | V35 R36 H57 I58 | V35-T46 WeakPolarHBondContact CA-O 3.49Å; R36-T46 WeakPolarHBondContact CG-O 3.48Å; R36-T46 PolarHBondContact N-O 2.9Å; R36-T46 PolarHBondContact O-N 3.11Å; T46-H57 HydrophobicContact CG2-CB 3.79Å; T46-I58 CarbonylContact C-O 3.49Å; T46-I58 VanDerWaalsContact CA-O 3.3Å; T46-I58 WeakPolarHBondContact CA-O 3.27Å |
| 47 | L | 94.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 115.7 | 168 | 173.3 | 61.5 | 0 | 0 | 0 | 108.9 | F33 V35 V49 H57 I58 I60 L92 L102 | F33-L47 HydrophobicContact CB-CD1 4.08Å; F33-L47 HydrophobicContact CD2-CD1 3.89Å; F33-L47 HydrophobicContact CG-CD1 4.37Å; V35-L47 HydrophobicContact CG2-CB 4.46Å; V35-L47 HydrophobicContact CG2-CD1 3.83Å; L47-V49 HydrophobicContact CD1-CG2 4.12Å; L47-V49 HydrophobicContact CD2-CG2 4.26Å; L47-V49 HydrophobicContact CG-CG2 3.78Å; L47-H57 CarbonylContact O-C 3.59Å; L47-H57 WeakPolarHBondContact O-CA 3.4Å; L47-I58 HydrophobicContact CB-CB 4.25Å; L47-I58 HydrophobicContact CD2-CD1 4.14Å; L47-I58 PolarHBondContact N-O 3.06Å; L47-I58 PolarHBondContact O-N 3.18Å; L47-I60 HydrophobicContact CB-CD1 3.88Å; L47-I60 HydrophobicContact CB-CG1 4.42Å; L47-L92 HydrophobicContact CD2-CD2 4.04Å; L47-L102 HydrophobicContact CD1-CD1 3.82Å; L47-L102 HydrophobicContact CD2-CD1 4.01Å; L47-L102 HydrophobicContact CG-CD1 4.37Å |
| 48 | S | 95.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 120.5 | 178.7 | -53.5 | 0 | 0 | 0 | 0 | 108.8 | F33 L34 R36 T56 H57 | F33-S48 CarbonylContact C-O 3.58Å; F33-S48 WeakPolarHBondContact CA-O 3.3Å; L34-S48 PolarHBondContact N-O 3.3Å; L34-S48 PolarHBondContact O-N 3.22Å; R36-S48 PolarHBondContact NE-OG 2.8Å; R36-S48 VanDerWaalsContact NE-OG 3.09Å; S48-T56 CarbonylContact C-O 3.58Å; S48-T56 WeakPolarHBondContact CA-O 3.43Å; S48-H57 WeakPolarHBondContact CB-ND1 3.29Å; S48-H57 PolarHBondContact OG-CE1 2.99Å; S48-H57 PolarHBondContact OG-ND1 3.17Å |
| 49 | V | 95.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 128.1 | -173.6 | -169.9 | 0 | 0 | 0 | 0 | 109.7 | S32 F33 L47 R51 I55 T56 I58 I100 P101 L102 | S32-V49 CarbonylContact O-C 3.55Å; S32-V49 WeakPolarHBondContact O-CA 3.24Å; F33-V49 HydrophobicContact CB-CG1 4.4Å; F33-V49 HydrophobicContact CB-CG2 4.07Å; L47-V49 HydrophobicContact CD1-CG2 4.12Å; L47-V49 HydrophobicContact CD2-CG2 4.26Å; L47-V49 HydrophobicContact CG-CG2 3.78Å; V49-R51 HydrophobicContact CG1-CG 4.41Å; V49-I55 CarbonylContact O-C 3.58Å; V49-I55 WeakPolarHBondContact O-CA 3.3Å; V49-T56 PolarHBondContact N-O 3.3Å; V49-T56 PolarHBondContact O-N 3.33Å; V49-I58 HydrophobicContact CG2-CD1 4.45Å; V49-I100 HydrophobicContact CB-CG2 4.08Å; V49-I100 HydrophobicContact CG1-CG2 3.96Å; V49-I100 HydrophobicContact CG2-CG2 4.01Å; V49-P101 WeakPolarHBondContact CG1-O 3.43Å; V49-L102 HydrophobicContact CG2-CD1 4.11Å |
| 50 | R | 92.1 | Very high | 90.5 | Very high | 24 Ų | 24 | 46.8 Ų | 46.8 | 9% | 0.091 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 128.3 | 170.7 | 177.7 | 164.4 | 175.3 | -170.9 | -10.5 | 110.3 | L24 M25 G28 F29 G31 S32 G52 I55 E607 | L24-R50 HydrophobicContact CB-CB 4.27Å; L24-R50 WeakPolarHBondContact O-CD 3.07Å; L24-R50 PolarHBondContact O-NH1 2.85Å; M25-R50 PolarHBondContact O-NH1 3.07Å; G28-R50 PolarHBondContact O-NH1 3.03Å; F29-R50 WeakPolarHBondContact O-CB 3.21Å; F29-R50 WeakPolarHBondContact O-CG 3.38Å; G31-R50 WeakPolarHBondContact CA-O 3.39Å; G31-R50 PolarHBondContact N-O 3.36Å; S32-R50 PolarHBondContact O-N 2.82Å; R50-G52 PolarHBondContact NE-O 3.43Å; R50-I55 HydrophobicContact CB-CD1 3.59Å; R50-I55 HydrophobicContact CG-CD1 3.85Å; R50-E607 IonicContact CZ-OE1 3.74Å; R50-E607 VanDerWaalsContact CZ-OE1 3.27Å; R50-E607 IonicContact CZ-OE2 3.22Å; R50-E607 IonicContact NE-OE1 3.26Å; R50-E607 IonicContact NH1-OE1 3.25Å; R50-E607 IonicContact NH2-OE1 2.72Å; R50-E607 PolarHBondContact NH2-OE1 3.03Å; R50-E607 IonicContact NH2-OE2 3.45Å; R50-E607 PolarHBondContact NH2-OE2 3.16Å |
| 51 | R | 89.5 | Confident | 91 | Very high | 23 Ų | 23 | 45.7 Ų | 45.7 | 9% | 0.087 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 96.8 | 177.5 | -69.4 | 169.4 | 74.6 | -153.5 | 9.1 | 108.4 | D30 V49 S53 R54 T56 E94 | D30-R51 VanDerWaalsContact OD1-CA 3.25Å; D30-R51 WeakPolarHBondContact OD1-CA 3.09Å; V49-R51 HydrophobicContact CG1-CG 4.41Å; R51-S53 PolarHBondContact O-N 3.31Å; R51-S53 VanDerWaalsContact O-N 3.14Å; R51-R54 CarbonylContact C-O 3.53Å; R51-R54 HydrophobicContact CB-CG 4.18Å; R51-R54 VanDerWaalsContact CZ-NH2 3.27Å; R51-R54 PolarHBondContact N-O 3.48Å; R51-R54 VanDerWaalsContact NH1-NH2 3.12Å; R51-R54 VanDerWaalsContact NH2-NH2 3.11Å; R51-R54 WeakPolarHBondContact O-CG 3.49Å; R51-R54 PolarHBondContact O-N 2.88Å; R51-R54 VanDerWaalsContact O-O 3.09Å; R51-T56 WeakPolarHBondContact CD-OG1 3.19Å; R51-T56 PolarHBondContact NH1-OG1 3.16Å; R51-E94 IonicContact CZ-OE1 2.71Å; R51-E94 IonicContact CZ-OE2 3.27Å; R51-E94 IonicContact NH1-OE1 2.85Å; R51-E94 PolarHBondContact NH1-OE1 3.21Å; R51-E94 IonicContact NH1-OE2 4Å; R51-E94 PolarHBondContact NH1-OE2 3.46Å; R51-E94 IonicContact NH2-OE1 3.17Å; R51-E94 IonicContact NH2-OE2 2.88Å; R51-E94 PolarHBondContact NH2-OE2 3.37Å |
| 52 | G | 83.2 | Confident | 91.2 | Very high | 39 Ų | 39 | 45.1 Ų | 45.1 | 40% | 0.402 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | -116 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | D30 R50 | D30-G52 PolarHBondContact OD1-N 2.92Å; R50-G52 PolarHBondContact NE-O 3.43Å |
| 53 | S | 85.6 | Confident | 91.4 | Very high | 114 Ų | 114 | 38.8 Ų | 38.8 | 80% | 0.797 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | 9.8 | 179.4 | 59.7 | 0 | 0 | 0 | 0 | 114.4 | M25 R51 | M25-S53 WeakPolarHBondContact CE-O 3.37Å; R51-S53 PolarHBondContact O-N 3.31Å; R51-S53 VanDerWaalsContact O-N 3.14Å |
| 54 | R | 90 | Very high | 91.3 | Very high | 125 Ų | 125 | 39.8 Ų | 39.8 | 47% | 0.472 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 158 | 175.3 | 67 | 178.1 | -173 | -159.2 | 5.6 | 112 | R51 E94 | R51-R54 CarbonylContact C-O 3.53Å; R51-R54 HydrophobicContact CB-CG 4.18Å; R51-R54 VanDerWaalsContact CZ-NH2 3.27Å; R51-R54 PolarHBondContact N-O 3.48Å; R51-R54 VanDerWaalsContact NH1-NH2 3.12Å; R51-R54 VanDerWaalsContact NH2-NH2 3.11Å; R51-R54 WeakPolarHBondContact O-CG 3.49Å; R51-R54 PolarHBondContact O-N 2.88Å; R51-R54 VanDerWaalsContact O-O 3.09Å; R54-E94 IonicContact NH2-OE2 2.89Å; R54-E94 PolarHBondContact NH2-OE2 3.18Å |
| 55 | I | 92.9 | Very high | 91.1 | Very high | 24 Ų | 24 | 47.2 Ų | 47.2 | 12% | 0.123 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 129.6 | 171.8 | -53.6 | -61.2 | 0 | 0 | 0 | 107.7 | E21 L24 M25 V49 R50 | E21-I55 HydrophobicContact CB-CG1 4.08Å; E21-I55 HydrophobicContact CG-CB 3.86Å; E21-I55 HydrophobicContact CG-CG1 3.92Å; E21-I55 HydrophobicContact CG-CG2 3.99Å; L24-I55 HydrophobicContact CB-CD1 3.68Å; L24-I55 HydrophobicContact CD1-CD1 4.27Å; L24-I55 HydrophobicContact CD1-CG2 4.11Å; M25-I55 HydrophobicContact CE-CD1 3.88Å; M25-I55 HydrophobicContact CE-CG1 3.69Å; M25-I55 HydrophobicContact CG-CD1 4.08Å; M25-I55 HydrophobicContact CG-CG1 4.17Å; M25-I55 HydrophobicContact SD-CD1 3.88Å; M25-I55 HydrophobicContact SD-CG1 4.25Å; V49-I55 CarbonylContact O-C 3.58Å; V49-I55 WeakPolarHBondContact O-CA 3.3Å; R50-I55 HydrophobicContact CB-CD1 3.59Å; R50-I55 HydrophobicContact CG-CD1 3.85Å |
| 56 | T | 93.2 | Very high | 91 | Very high | 20 Ų | 20 | 48.1 Ų | 48.1 | 12% | 0.123 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 131.9 | 174.2 | -62.7 | 0 | 0 | 0 | 0 | 108.9 | S48 V49 R51 I58 I100 | S48-T56 CarbonylContact C-O 3.58Å; S48-T56 WeakPolarHBondContact CA-O 3.43Å; V49-T56 PolarHBondContact N-O 3.3Å; V49-T56 PolarHBondContact O-N 3.33Å; R51-T56 WeakPolarHBondContact CD-OG1 3.19Å; R51-T56 PolarHBondContact NH1-OG1 3.16Å; T56-I58 HydrophobicContact CG2-CG1 4.11Å; T56-I100 HydrophobicContact CG2-CD1 4.19Å |
| 57 | H | 93.8 | Very high | 90.8 | Very high | 65 Ų | 65 | 49.6 Ų | 49.6 | 30% | 0.301 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 121.1 | 176.2 | -63.1 | -61.2 | 0 | 0 | 0 | 109.8 | E21 R36 T46 L47 S48 | E21-H57 IonicContact OE1-CD2 3.02Å; E21-H57 IonicContact OE1-NE2 2.61Å; E21-H57 PolarHBondContact OE1-NE2 3.15Å; E21-H57 VanDerWaalsContact OE1-NE2 3.12Å; R36-H57 PolarHBondContact NH2-ND1 2.85Å; T46-H57 HydrophobicContact CG2-CB 3.79Å; L47-H57 CarbonylContact O-C 3.59Å; L47-H57 WeakPolarHBondContact O-CA 3.4Å; S48-H57 WeakPolarHBondContact CB-ND1 3.29Å; S48-H57 PolarHBondContact OG-CE1 2.99Å; S48-H57 PolarHBondContact OG-ND1 3.17Å |
| 58 | I | 93.5 | Very high | 90.7 | Very high | 26 Ų | 26 | 50.1 Ų | 50.1 | 13% | 0.133 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 122.1 | -178.1 | -52 | 169.1 | 0 | 0 | 0 | 107.3 | T46 L47 V49 T56 L69 L92 I100 | T46-I58 CarbonylContact C-O 3.49Å; T46-I58 VanDerWaalsContact CA-O 3.3Å; T46-I58 WeakPolarHBondContact CA-O 3.27Å; L47-I58 HydrophobicContact CB-CB 4.25Å; L47-I58 HydrophobicContact CD2-CD1 4.14Å; L47-I58 PolarHBondContact N-O 3.06Å; L47-I58 PolarHBondContact O-N 3.18Å; V49-I58 HydrophobicContact CG2-CD1 4.45Å; T56-I58 HydrophobicContact CG2-CG1 4.11Å; I58-L69 HydrophobicContact CG2-CD1 4.25Å; I58-L69 HydrophobicContact CG2-CD2 3.99Å; I58-L92 HydrophobicContact CD1-CD1 4.08Å; I58-L92 HydrophobicContact CD1-CD2 3.82Å; I58-L92 HydrophobicContact CD1-CG 4.13Å; I58-I100 HydrophobicContact CD1-CD1 3.59Å; I58-I100 HydrophobicContact CD1-CG2 4.06Å; I58-I100 HydrophobicContact CG1-CD1 4.27Å |
| 59 | K | 92.9 | Very high | 90.4 | Very high | 102 Ų | 102 | 51.5 Ų | 51.5 | 44% | 0.443 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 135.7 | 177.7 | -66.1 | -173 | 178.5 | -175.5 | 0 | 109.6 | S40 Y70 | S40-K59 PolarHBondContact OG-NZ 2.85Å; K59-Y70 HydrophobicContact CB-CD2 4.25Å; K59-Y70 HydrophobicContact CB-CE2 3.91Å |
| 60 | I | 93.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 119.6 | 171.6 | -63 | 157.8 | 0 | 0 | 0 | 106.3 | V35 D44 F45 L47 Y67 D68 L69 L78 L81 | V35-I60 HydrophobicContact CG1-CD1 3.95Å; V35-I60 HydrophobicContact CG2-CD1 4.38Å; D44-I60 WeakPolarHBondContact CB-O 3.47Å; F45-I60 HydrophobicContact CB-CB 3.97Å; F45-I60 HydrophobicContact CB-CD1 4.14Å; F45-I60 HydrophobicContact CB-CG2 4.37Å; F45-I60 PolarHBondContact N-O 3.34Å; F45-I60 PolarHBondContact O-N 2.88Å; L47-I60 HydrophobicContact CB-CD1 3.88Å; L47-I60 HydrophobicContact CB-CG1 4.42Å; I60-Y67 HydrophobicContact CG2-CD1 4.34Å; I60-D68 CarbonylContact C-O 3.51Å; I60-D68 WeakPolarHBondContact CA-O 3.38Å; I60-L69 HydrophobicContact CB-CD2 4.29Å; I60-L69 HydrophobicContact CG1-CD2 3.48Å; I60-L69 VanDerWaalsContact CG1-CD2 3.48Å; I60-L78 HydrophobicContact CD1-CD2 4.33Å; I60-L78 HydrophobicContact CG2-CD2 3.75Å; I60-L81 HydrophobicContact CD1-CD2 4.38Å; I60-L81 HydrophobicContact CG1-CD2 4.5Å; I60-L81 HydrophobicContact CG2-CD1 3.85Å |
| 61 | Q | 92.6 | Very high | 88.8 | Confident | 62 Ų | 62 | 61.5 Ų | 61.5 | 29% | 0.29 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 139.2 | 175.3 | -164 | 174 | 17.2 | 0 | 0 | 109.6 | D44 T63 Y67 D68 Y70 | D44-Q61 WeakPolarHBondContact OD1-CA 3.42Å; Q61-T63 HydrophobicContact CG-CG2 4.35Å; Q61-Y67 WeakPolarHBondContact O-CA 3.42Å; Q61-D68 VanDerWaalsContact CB-OD1 3.27Å; Q61-D68 WeakPolarHBondContact CB-OD1 3.09Å; Q61-D68 PolarHBondContact N-O 2.92Å; Q61-D68 PolarHBondContact O-N 2.81Å; Q61-D68 PolarHBondContact OE1-OD1 3.5Å; Q61-Y70 HydrophobicContact CB-CD2 3.98Å; Q61-Y70 HydrophobicContact CB-CE1 4.19Å; Q61-Y70 HydrophobicContact CB-CE2 3.56Å; Q61-Y70 HydrophobicContact CB-CG 4.44Å; Q61-Y70 HydrophobicContact CG-CE1 4.04Å; Q61-Y70 HydrophobicContact CG-CE2 4.18Å |
| 62 | S | 90.6 | Very high | 88.3 | Confident | 34 Ų | 34 | 62 Ų | 62 | 24% | 0.238 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 108.7 | 168.8 | 176.9 | 0 | 0 | 0 | 0 | 109.6 | G43 D44 | G43-S62 WeakPolarHBondContact O-CB 3.27Å; D44-S62 PolarHBondContact OD1-N 3.24Å |
| 63 | T | 87.9 | Confident | 88.6 | Confident | 62 Ų | 62 | 65.9 Ų | 65.9 | 38% | 0.38 | 36% | 0.361 | S | S | . | . | trans | -86.1 | -10.5 | 179 | 62.9 | 0 | 0 | 0 | 0 | 113.3 | Q61 E65 F66 | Q61-T63 HydrophobicContact CG-CG2 4.35Å; T63-E65 VanDerWaalsContact C-N 3.27Å; T63-E65 PolarHBondContact OG1-N 3.14Å; T63-F66 HydrophobicContact CG2-CD2 4.36Å; T63-F66 HydrophobicContact CG2-CE1 4.08Å; T63-F66 HydrophobicContact CG2-CE2 3.77Å; T63-F66 HydrophobicContact CG2-CZ 3.61Å; T63-F66 PolarHBondContact N-O 2.85Å; T63-F66 VanDerWaalsContact N-O 3.16Å; T63-F66 WeakPolarHBondContact OG1-CD1 3.19Å; T63-F66 WeakPolarHBondContact OG1-CE1 3.39Å; T63-F66 PolarHBondContact OG1-N 2.77Å; T63-F66 VanDerWaalsContact OG1-N 3.12Å; T63-F66 PolarHBondContact OG1-O 3.21Å | ||
| 64 | G | 83.4 | Confident | 88.9 | Confident | 73 Ų | 73 | 66.7 Ų | 66.7 | 75% | 0.753 | 35% | 0.351 | S | S | * | . | S | Bend | trans | 89.9 | -21.1 | -169 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 65 | E | 85.8 | Confident | 89 | Confident | 167 Ų | 167 | 61.8 Ų | 61.8 | 78% | 0.78 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -103.8 | -35.1 | 174.2 | -65.3 | -175.1 | 167.1 | 0 | 0 | 112.4 | T63 | T63-E65 VanDerWaalsContact C-N 3.27Å; T63-E65 PolarHBondContact OG1-N 3.14Å |
| 66 | F | 89.5 | Confident | 88.7 | Confident | 43 Ų | 43 | 64.1 Ų | 64.1 | 19% | 0.189 | 36% | 0.355 | C | S | . | . | trans | -152 | 169.5 | -178.5 | 62.2 | -92.7 | 0 | 0 | 0 | 111.9 | T63 D68 K74 F75 | T63-F66 HydrophobicContact CG2-CD2 4.36Å; T63-F66 HydrophobicContact CG2-CE1 4.08Å; T63-F66 HydrophobicContact CG2-CE2 3.77Å; T63-F66 HydrophobicContact CG2-CZ 3.61Å; T63-F66 PolarHBondContact N-O 2.85Å; T63-F66 VanDerWaalsContact N-O 3.16Å; T63-F66 WeakPolarHBondContact OG1-CD1 3.19Å; T63-F66 WeakPolarHBondContact OG1-CE1 3.39Å; T63-F66 PolarHBondContact OG1-N 2.77Å; T63-F66 VanDerWaalsContact OG1-N 3.12Å; T63-F66 PolarHBondContact OG1-O 3.21Å; F66-D68 HydrophobicContact CD2-CB 4.45Å; F66-D68 HydrophobicContact CE2-CB 4.47Å; F66-K74 HydrophobicContact CB-CB 4.31Å; F66-K74 HydrophobicContact CD1-CD 4.26Å; F66-K74 HydrophobicContact CD2-CB 3.9Å; F66-K74 HydrophobicContact CD2-CD 3.8Å; F66-K74 HydrophobicContact CD2-CG 3.68Å; F66-K74 HydrophobicContact CE1-CD 4.17Å; F66-K74 HydrophobicContact CE2-CD 3.69Å; F66-K74 HydrophobicContact CE2-CG 3.82Å; F66-K74 HydrophobicContact CG-CB 4.18Å; F66-K74 HydrophobicContact CG-CD 4.09Å; F66-K74 HydrophobicContact CG-CG 4.28Å; F66-K74 HydrophobicContact CZ-CD 3.89Å; F66-F75 CarbonylContact C-O 3.52Å; F66-F75 VanDerWaalsContact CA-O 3.31Å; F66-F75 WeakPolarHBondContact CA-O 3.13Å; F66-F75 WeakPolarHBondContact CB-O 3.38Å | ||
| 67 | Y | 90.5 | Very high | 88.3 | Confident | 39 Ų | 39 | 64.1 Ų | 64.1 | 15% | 0.153 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 137.6 | 174.6 | -57.8 | -90.1 | 0 | 0 | 0 | 110.2 | F45 I60 Q61 F75 L78 | F45-Y67 HydrophobicContact CD2-CD1 4.29Å; F45-Y67 HydrophobicContact CD2-CE1 4Å; F45-Y67 HydrophobicContact CE2-CD1 4.42Å; F45-Y67 AromaticContact CE2-CE1 3.69Å; F45-Y67 HydrophobicContact CE2-CE1 3.69Å; I60-Y67 HydrophobicContact CG2-CD1 4.34Å; Q61-Y67 WeakPolarHBondContact O-CA 3.42Å; Y67-F75 PolarHBondContact N-O 2.85Å; Y67-F75 PolarHBondContact O-N 3.26Å; Y67-L78 HydrophobicContact CD1-CD2 3.42Å; Y67-L78 VanDerWaalsContact CD1-CD2 3.42Å; Y67-L78 HydrophobicContact CD1-CG 3.72Å; Y67-L78 HydrophobicContact CE1-CD1 4.26Å; Y67-L78 HydrophobicContact CE1-CD2 3.83Å; Y67-L78 HydrophobicContact CE1-CG 3.66Å; Y67-L78 HydrophobicContact CG-CD2 3.93Å; Y67-L78 HydrophobicContact CG-CG 4.16Å |
| 68 | D | 92.1 | Very high | 88 | Confident | 11 Ų | 11 | 61.1 Ų | 61.1 | 6% | 0.059 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 176.2 | 173.5 | 83.8 | -7.3 | 0 | 0 | 0 | 112 | I60 Q61 F66 Y70 C71 E73 K74 | I60-D68 CarbonylContact C-O 3.51Å; I60-D68 WeakPolarHBondContact CA-O 3.38Å; Q61-D68 VanDerWaalsContact CB-OD1 3.27Å; Q61-D68 WeakPolarHBondContact CB-OD1 3.09Å; Q61-D68 PolarHBondContact N-O 2.92Å; Q61-D68 PolarHBondContact O-N 2.81Å; Q61-D68 PolarHBondContact OE1-OD1 3.5Å; F66-D68 HydrophobicContact CD2-CB 4.45Å; F66-D68 HydrophobicContact CE2-CB 4.47Å; D68-Y70 PolarHBondContact OD1-N 2.79Å; D68-C71 PolarHBondContact OD2-N 3.5Å; D68-E73 WeakPolarHBondContact CB-O 3.44Å; D68-K74 HydrophobicContact CB-CG 4.48Å |
| 69 | L | 90.8 | Very high | 87.5 | Confident | 29 Ų | 29 | 60.4 Ų | 60.4 | 15% | 0.152 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -102.3 | 39.1 | 174.4 | -59.1 | -174 | 0 | 0 | 0 | 112.3 | I58 I60 L81 Y85 L92 | I58-L69 HydrophobicContact CG2-CD1 4.25Å; I58-L69 HydrophobicContact CG2-CD2 3.99Å; I60-L69 HydrophobicContact CB-CD2 4.29Å; I60-L69 HydrophobicContact CG1-CD2 3.48Å; I60-L69 VanDerWaalsContact CG1-CD2 3.48Å; L69-L81 HydrophobicContact CD2-CD1 4.3Å; L69-L81 HydrophobicContact CD2-CD2 4.36Å; L69-Y85 HydrophobicContact CD1-CD2 4.09Å; L69-Y85 HydrophobicContact CD1-CE1 4.26Å; L69-Y85 HydrophobicContact CD1-CE2 3.43Å; L69-Y85 VanDerWaalsContact CD1-CE2 3.43Å; L69-Y85 HydrophobicContact CG-CE2 3.91Å; L69-L92 HydrophobicContact CD1-CD1 3.33Å |
| 70 | Y | 78.9 | Confident | 87.2 | Confident | 99 Ų | 99 | 59.9 Ų | 59.9 | 39% | 0.388 | 34% | 0.34 | S | S | . | . | S | Bend | trans | 54.9 | 82.2 | -176.3 | -70.2 | -94.9 | 0 | 0 | 0 | 112.1 | D44 K59 Q61 D68 | D44-Y70 PolarHBondContact OD2-OH 2.81Å; K59-Y70 HydrophobicContact CB-CD2 4.25Å; K59-Y70 HydrophobicContact CB-CE2 3.91Å; Q61-Y70 HydrophobicContact CB-CD2 3.98Å; Q61-Y70 HydrophobicContact CB-CE1 4.19Å; Q61-Y70 HydrophobicContact CB-CE2 3.56Å; Q61-Y70 HydrophobicContact CB-CG 4.44Å; Q61-Y70 HydrophobicContact CG-CE1 4.04Å; Q61-Y70 HydrophobicContact CG-CE2 4.18Å; D68-Y70 PolarHBondContact OD1-N 2.79Å |
| 71 | C | 74.3 | Confident | 87.1 | Confident | 135 Ų | 135 | 59.9 Ų | 59.9 | 91% | 0.912 | 34% | 0.34 | S | S | * | . | S | Bend | trans | 89.1 | 24.9 | -175.5 | -50.6 | 0 | 0 | 0 | 0 | 116.1 | D68 | D68-C71 PolarHBondContact OD2-N 3.5Š|
| 72 | G | 79 | Confident | 86.9 | Confident | 33 Ų | 33 | 57 Ų | 57 | 34% | 0.34 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -103.6 | -168.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 73 | E | 89.2 | Confident | 86.7 | Confident | 120 Ų | 120 | 57.8 Ų | 57.8 | 56% | 0.561 | 33% | 0.326 | S | S | * | . | trans | -56 | 145.5 | 163.5 | -70.1 | -65.2 | 154 | 0 | 0 | 110.5 | D68 F75 F84 | D68-E73 WeakPolarHBondContact CB-O 3.44Å; E73-F75 HydrophobicContact CB-CE1 4.3Å; E73-F75 HydrophobicContact CB-CE2 3.65Å; E73-F75 HydrophobicContact CB-CZ 3.46Å; E73-F75 VanDerWaalsContact CB-CZ 3.46Å; E73-F75 HydrophobicContact CG-CZ 4.46Å; E73-F75 WeakPolarHBondContact O-CD2 3.2Å; E73-F75 WeakPolarHBondContact O-CE2 3.43Å; E73-F84 HydrophobicContact CG-CE1 4.3Å; E73-F84 HydrophobicContact CG-CZ 4.06Å | ||
| 74 | K | 92.7 | Very high | 86.8 | Confident | 132 Ų | 132 | 57.3 Ų | 57.3 | 57% | 0.574 | 32% | 0.319 | S | S | * | . | trans | -102.4 | 132.9 | 179.9 | -63.3 | 179.9 | -179.8 | -178.8 | 0 | 109.7 | F66 D68 | F66-K74 HydrophobicContact CB-CB 4.31Å; F66-K74 HydrophobicContact CD1-CD 4.26Å; F66-K74 HydrophobicContact CD2-CB 3.9Å; F66-K74 HydrophobicContact CD2-CD 3.8Å; F66-K74 HydrophobicContact CD2-CG 3.68Å; F66-K74 HydrophobicContact CE1-CD 4.17Å; F66-K74 HydrophobicContact CE2-CD 3.69Å; F66-K74 HydrophobicContact CE2-CG 3.82Å; F66-K74 HydrophobicContact CG-CB 4.18Å; F66-K74 HydrophobicContact CG-CD 4.09Å; F66-K74 HydrophobicContact CG-CG 4.28Å; F66-K74 HydrophobicContact CZ-CD 3.89Å; D68-K74 HydrophobicContact CB-CG 4.48Å | ||
| 75 | F | 90.9 | Very high | 87.2 | Confident | 21 Ų | 21 | 54.5 Ų | 54.5 | 9% | 0.092 | 29% | 0.286 | C | S | . | . | B | Isolated β-bridge | trans | -121.3 | 143.7 | -176.6 | -57 | -83 | 0 | 0 | 0 | 111 | F66 Y67 E73 S77 E80 L81 F84 Y85 | F66-F75 CarbonylContact C-O 3.52Å; F66-F75 VanDerWaalsContact CA-O 3.31Å; F66-F75 WeakPolarHBondContact CA-O 3.13Å; F66-F75 WeakPolarHBondContact CB-O 3.38Å; Y67-F75 PolarHBondContact N-O 2.85Å; Y67-F75 PolarHBondContact O-N 3.26Å; E73-F75 HydrophobicContact CB-CE1 4.3Å; E73-F75 HydrophobicContact CB-CE2 3.65Å; E73-F75 HydrophobicContact CB-CZ 3.46Å; E73-F75 VanDerWaalsContact CB-CZ 3.46Å; E73-F75 HydrophobicContact CG-CZ 4.46Å; E73-F75 WeakPolarHBondContact O-CD2 3.2Å; E73-F75 WeakPolarHBondContact O-CE2 3.43Å; F75-S77 VanDerWaalsContact C-N 3.29Å; F75-S77 PolarHBondContact O-N 2.93Å; F75-E80 HydrophobicContact CB-CB 4.17Å; F75-E80 HydrophobicContact CD1-CB 4.07Å; F75-L81 HydrophobicContact CB-CB 3.94Å; F75-L81 HydrophobicContact CD1-CB 4.45Å; F75-L81 HydrophobicContact CD2-CB 3.55Å; F75-L81 HydrophobicContact CD2-CD1 3.83Å; F75-L81 HydrophobicContact CD2-CG 3.63Å; F75-L81 HydrophobicContact CE2-CB 4.16Å; F75-L81 HydrophobicContact CE2-CD1 4.37Å; F75-L81 HydrophobicContact CE2-CG 3.93Å; F75-L81 HydrophobicContact CG-CB 3.7Å; F75-L81 HydrophobicContact CG-CG 4.32Å; F75-F84 HydrophobicContact CD1-CB 4.4Å; F75-F84 HydrophobicContact CE1-CB 3.41Å; F75-F84 VanDerWaalsContact CE1-CB 3.41Å; F75-F84 HydrophobicContact CE1-CD1 4.07Å; F75-F84 HydrophobicContact CE1-CD2 4.01Å; F75-F84 AromaticContact CE1-CG 3.57Å; F75-F84 HydrophobicContact CE1-CG 3.57Å; F75-F84 HydrophobicContact CZ-CB 3.66Å; F75-F84 AromaticContact CZ-CD1 3.49Å; F75-F84 HydrophobicContact CZ-CD1 3.49Å; F75-F84 VanDerWaalsContact CZ-CD1 3.49Å; F75-F84 HydrophobicContact CZ-CD2 4.2Å; F75-F84 HydrophobicContact CZ-CE1 4.16Å; F75-F84 AromaticContact CZ-CG 3.51Å; F75-F84 HydrophobicContact CZ-CG 3.51Å; F75-Y85 AromaticContact CE2-CE2 3.98Å; F75-Y85 HydrophobicContact CE2-CE2 3.98Å; F75-Y85 HydrophobicContact CZ-CE2 4.32Å |
| 76 | A | 86.9 | Confident | 87.3 | Confident | 73 Ų | 73 | 47.9 Ų | 47.9 | 60% | 0.603 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -74.3 | -25.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | E80 | A76-E80 WeakPolarHBondContact CB-OE2 3.13Å; A76-E80 PolarHBondContact N-OE2 2.65Å |
| 77 | S | 85.3 | Confident | 87.2 | Confident | 20 Ų | 20 | 50.6 Ų | 50.6 | 14% | 0.14 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -139.1 | 155.1 | 175.3 | 76.1 | 0 | 0 | 0 | 0 | 113.4 | F75 A79 E80 L81 | F75-S77 VanDerWaalsContact C-N 3.29Å; F75-S77 PolarHBondContact O-N 2.93Å; S77-A79 PolarHBondContact O-N 2.96Å; S77-A79 VanDerWaalsContact O-N 3.14Å; S77-A79 PolarHBondContact OG-N 2.8Å; S77-E80 PolarHBondContact N-OE2 2.82Å; S77-E80 PolarHBondContact O-N 2.82Å; S77-E80 PolarHBondContact OG-N 2.82Å; S77-L81 PolarHBondContact O-N 2.84Å; S77-L81 VanDerWaalsContact O-N 3.17Å |
| 78 | L | 86.6 | Confident | 87.2 | Confident | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -55.4 | -29.1 | 171.4 | -71.5 | 173.6 | 0 | 0 | 0 | 112.8 | W10 F45 I60 Y67 V82 P148 | W10-L78 HydrophobicContact CH2-CB 3.8Å; W10-L78 HydrophobicContact CZ3-CB 4.43Å; F45-L78 HydrophobicContact CB-CD2 4.33Å; F45-L78 HydrophobicContact CD1-CD1 3.96Å; F45-L78 HydrophobicContact CD2-CD1 3.84Å; F45-L78 HydrophobicContact CD2-CD2 3.92Å; F45-L78 HydrophobicContact CD2-CG 4.34Å; F45-L78 HydrophobicContact CE1-CD1 3.93Å; F45-L78 HydrophobicContact CE2-CD1 3.88Å; F45-L78 HydrophobicContact CG-CD1 3.88Å; F45-L78 HydrophobicContact CG-CD2 4.15Å; F45-L78 HydrophobicContact CZ-CD1 3.89Å; I60-L78 HydrophobicContact CD1-CD2 4.33Å; I60-L78 HydrophobicContact CG2-CD2 3.75Å; Y67-L78 HydrophobicContact CD1-CD2 3.42Å; Y67-L78 VanDerWaalsContact CD1-CD2 3.42Å; Y67-L78 HydrophobicContact CD1-CG 3.72Å; Y67-L78 HydrophobicContact CE1-CD1 4.26Å; Y67-L78 HydrophobicContact CE1-CD2 3.83Å; Y67-L78 HydrophobicContact CE1-CG 3.66Å; Y67-L78 HydrophobicContact CG-CD2 3.93Å; Y67-L78 HydrophobicContact CG-CG 4.16Å; L78-V82 WeakPolarHBondContact O-CG2 3.49Å; L78-V82 PolarHBondContact O-N 3.44Å; L78-P148 HydrophobicContact CD1-CB 4.45Å; L78-P148 HydrophobicContact CD1-CG 4.27Å |
| 79 | A | 83.7 | Confident | 86.8 | Confident | 12 Ų | 12 | 54.1 Ų | 54.1 | 10% | 0.099 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -69 | -43.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | R8 W10 S77 L81 V82 Q83 | R8-A79 HydrophobicContact CG-CB 4.1Å; W10-A79 HydrophobicContact CZ2-CB 4.2Å; S77-A79 PolarHBondContact O-N 2.96Å; S77-A79 VanDerWaalsContact O-N 3.14Å; S77-A79 PolarHBondContact OG-N 2.8Å; A79-L81 VanDerWaalsContact C-N 3.35Å; A79-V82 PolarHBondContact O-N 2.85Å; A79-Q83 VanDerWaalsContact O-CB 3.26Å; A79-Q83 WeakPolarHBondContact O-CB 3.42Å; A79-Q83 PolarHBondContact O-N 2.85Å |
| 80 | E | 86.5 | Confident | 86.7 | Confident | 90 Ų | 90 | 57.7 Ų | 57.7 | 42% | 0.421 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64 | -41.4 | 174.5 | -69.8 | 167.7 | -176.3 | 0 | 0 | 111.2 | F75 A76 S77 Q83 F84 | F75-E80 HydrophobicContact CB-CB 4.17Å; F75-E80 HydrophobicContact CD1-CB 4.07Å; A76-E80 WeakPolarHBondContact CB-OE2 3.13Å; A76-E80 PolarHBondContact N-OE2 2.65Å; S77-E80 PolarHBondContact N-OE2 2.82Å; S77-E80 PolarHBondContact O-N 2.82Å; S77-E80 PolarHBondContact OG-N 2.82Å; E80-Q83 PolarHBondContact O-N 3.13Å; E80-F84 WeakPolarHBondContact O-CB 3.35Å; E80-F84 PolarHBondContact O-N 2.83Å |
| 81 | L | 91.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.7 | -51.7 | 175.2 | -175.4 | 156.1 | 0 | 0 | 0 | 111.2 | I60 L69 F75 S77 A79 F84 Y85 | I60-L81 HydrophobicContact CD1-CD2 4.38Å; I60-L81 HydrophobicContact CG1-CD2 4.5Å; I60-L81 HydrophobicContact CG2-CD1 3.85Å; L69-L81 HydrophobicContact CD2-CD1 4.3Å; L69-L81 HydrophobicContact CD2-CD2 4.36Å; F75-L81 HydrophobicContact CB-CB 3.94Å; F75-L81 HydrophobicContact CD1-CB 4.45Å; F75-L81 HydrophobicContact CD2-CB 3.55Å; F75-L81 HydrophobicContact CD2-CD1 3.83Å; F75-L81 HydrophobicContact CD2-CG 3.63Å; F75-L81 HydrophobicContact CE2-CB 4.16Å; F75-L81 HydrophobicContact CE2-CD1 4.37Å; F75-L81 HydrophobicContact CE2-CG 3.93Å; F75-L81 HydrophobicContact CG-CB 3.7Å; F75-L81 HydrophobicContact CG-CG 4.32Å; S77-L81 PolarHBondContact O-N 2.84Å; S77-L81 VanDerWaalsContact O-N 3.17Å; A79-L81 VanDerWaalsContact C-N 3.35Å; L81-F84 PolarHBondContact O-N 2.83Å; L81-Y85 HydrophobicContact CD2-CD2 3.92Å; L81-Y85 HydrophobicContact CD2-CE2 4.17Å; L81-Y85 HydrophobicContact CG-CD2 4.18Å; L81-Y85 HydrophobicContact CG-CE2 4.09Å; L81-Y85 VanDerWaalsContact O-CD2 3.24Å; L81-Y85 WeakPolarHBondContact O-CD2 3.15Å; L81-Y85 PolarHBondContact O-N 2.97Å |
| 82 | V | 89.8 | Confident | 88 | Confident | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.018 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.5 | -41.8 | -179.8 | 168.9 | 0 | 0 | 0 | 0 | 111.3 | W10 F33 V35 L78 A79 T86 L102 | W10-V82 HydrophobicContact CD2-CG1 4.14Å; W10-V82 HydrophobicContact CD2-CG2 4.17Å; W10-V82 HydrophobicContact CE3-CG2 4.02Å; W10-V82 HydrophobicContact CG-CG1 4.4Å; W10-V82 HydrophobicContact CH2-CB 4.33Å; W10-V82 HydrophobicContact CH2-CG2 3.76Å; W10-V82 HydrophobicContact CZ2-CB 4Å; W10-V82 HydrophobicContact CZ2-CG1 4.34Å; W10-V82 HydrophobicContact CZ2-CG2 3.91Å; W10-V82 HydrophobicContact CZ3-CG2 3.8Å; F33-V82 HydrophobicContact CE2-CG1 3.59Å; F33-V82 HydrophobicContact CZ-CG1 3.87Å; V35-V82 HydrophobicContact CG2-CG2 3.8Å; L78-V82 WeakPolarHBondContact O-CG2 3.49Å; L78-V82 PolarHBondContact O-N 3.44Å; A79-V82 PolarHBondContact O-N 2.85Å; V82-T86 WeakPolarHBondContact O-CB 3.33Å; V82-T86 PolarHBondContact O-N 2.98Å; V82-T86 PolarHBondContact O-OG1 2.89Å; V82-L102 HydrophobicContact CG1-CD2 4.42Å |
| 83 | Q | 85.8 | Confident | 88.5 | Confident | 49 Ų | 49 | 56.1 Ų | 56.1 | 23% | 0.229 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.1 | -49.3 | 177.2 | 177.5 | 174 | 2.1 | 0 | 0 | 111 | M5 A79 E80 Y85 T86 E87 | M5-Q83 HydrophobicContact SD-CB 3.91Å; M5-Q83 HydrophobicContact SD-CG 3.74Å; A79-Q83 VanDerWaalsContact O-CB 3.26Å; A79-Q83 WeakPolarHBondContact O-CB 3.42Å; A79-Q83 PolarHBondContact O-N 2.85Å; E80-Q83 PolarHBondContact O-N 3.13Å; Q83-Y85 PolarHBondContact O-N 2.86Å; Q83-T86 PolarHBondContact O-N 2.82Å; Q83-T86 VanDerWaalsContact O-N 3.09Å; Q83-E87 HydrophobicContact CG-CG 4.32Å; Q83-E87 WeakPolarHBondContact CG-OE1 3.35Å; Q83-E87 PolarHBondContact NE2-OE1 3.3Å; Q83-E87 PolarHBondContact O-N 3.3Å |
| 84 | F | 89.7 | Confident | 88.4 | Confident | 53 Ų | 53 | 53.2 Ų | 53.2 | 23% | 0.232 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -55.1 | -51 | -179.9 | 177 | -93.4 | 0 | 0 | 0 | 112.1 | E73 F75 E80 L81 T86 E87 N88 Q91 | E73-F84 HydrophobicContact CG-CE1 4.3Å; E73-F84 HydrophobicContact CG-CZ 4.06Å; F75-F84 HydrophobicContact CD1-CB 4.4Å; F75-F84 HydrophobicContact CE1-CB 3.41Å; F75-F84 VanDerWaalsContact CE1-CB 3.41Å; F75-F84 HydrophobicContact CE1-CD1 4.07Å; F75-F84 HydrophobicContact CE1-CD2 4.01Å; F75-F84 AromaticContact CE1-CG 3.57Å; F75-F84 HydrophobicContact CE1-CG 3.57Å; F75-F84 HydrophobicContact CZ-CB 3.66Å; F75-F84 AromaticContact CZ-CD1 3.49Å; F75-F84 HydrophobicContact CZ-CD1 3.49Å; F75-F84 VanDerWaalsContact CZ-CD1 3.49Å; F75-F84 HydrophobicContact CZ-CD2 4.2Å; F75-F84 HydrophobicContact CZ-CE1 4.16Å; F75-F84 AromaticContact CZ-CG 3.51Å; F75-F84 HydrophobicContact CZ-CG 3.51Å; E80-F84 WeakPolarHBondContact O-CB 3.35Å; E80-F84 PolarHBondContact O-N 2.83Å; L81-F84 PolarHBondContact O-N 2.83Å; F84-T86 VanDerWaalsContact C-N 3.28Å; F84-T86 PolarHBondContact O-N 3.46Å; F84-E87 PolarHBondContact O-N 3.39Å; F84-N88 VanDerWaalsContact O-CB 3.3Å; F84-N88 WeakPolarHBondContact O-CB 3.18Å; F84-N88 PolarHBondContact O-N 3.12Å; F84-N88 PolarHBondContact O-ND2 2.87Å; F84-Q91 HydrophobicContact CE1-CB 4.15Å; F84-Q91 HydrophobicContact CE1-CG 4.24Å; F84-Q91 HydrophobicContact CZ-CG 4.29Å |
| 85 | Y | 92.3 | Very high | 88 | Confident | 14 Ų | 14 | 57.7 Ų | 57.7 | 6% | 0.055 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -74.3 | -16.7 | -179.3 | -70.9 | -65.5 | 0 | 0 | 0 | 113.9 | L69 F75 L81 Q83 Q91 L92 | L69-Y85 HydrophobicContact CD1-CD2 4.09Å; L69-Y85 HydrophobicContact CD1-CE1 4.26Å; L69-Y85 HydrophobicContact CD1-CE2 3.43Å; L69-Y85 VanDerWaalsContact CD1-CE2 3.43Å; L69-Y85 HydrophobicContact CG-CE2 3.91Å; F75-Y85 AromaticContact CE2-CE2 3.98Å; F75-Y85 HydrophobicContact CE2-CE2 3.98Å; F75-Y85 HydrophobicContact CZ-CE2 4.32Å; L81-Y85 HydrophobicContact CD2-CD2 3.92Å; L81-Y85 HydrophobicContact CD2-CE2 4.17Å; L81-Y85 HydrophobicContact CG-CD2 4.18Å; L81-Y85 HydrophobicContact CG-CE2 4.09Å; L81-Y85 VanDerWaalsContact O-CD2 3.24Å; L81-Y85 WeakPolarHBondContact O-CD2 3.15Å; L81-Y85 PolarHBondContact O-N 2.97Å; Q83-Y85 PolarHBondContact O-N 2.86Å; Y85-Q91 HydrophobicContact CD1-CB 4.05Å; Y85-Q91 HydrophobicContact CE1-CB 4.03Å; Y85-L92 HydrophobicContact CD1-CB 3.77Å; Y85-L92 HydrophobicContact CD1-CD1 4.05Å; Y85-L92 HydrophobicContact CD1-CG 4.41Å; Y85-L92 HydrophobicContact CE1-CB 4.36Å; Y85-L92 HydrophobicContact CE1-CD1 4.12Å; Y85-L92 HydrophobicContact CG-CB 4.37Å; Y85-L92 HydrophobicContact CG-CD1 4.35Å |
| 86 | T | 87.6 | Confident | 87.8 | Confident | 28 Ų | 28 | 61.8 Ų | 61.8 | 17% | 0.172 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -80.5 | -40.4 | 172.3 | -54 | 0 | 0 | 0 | 0 | 111.3 | M5 V82 Q83 F84 L102 | M5-T86 HydrophobicContact CE-CG2 3.24Å; V82-T86 WeakPolarHBondContact O-CB 3.33Å; V82-T86 PolarHBondContact O-N 2.98Å; V82-T86 PolarHBondContact O-OG1 2.89Å; Q83-T86 PolarHBondContact O-N 2.82Å; Q83-T86 VanDerWaalsContact O-N 3.09Å; F84-T86 VanDerWaalsContact C-N 3.28Å; F84-T86 PolarHBondContact O-N 3.46Å; T86-L102 WeakPolarHBondContact CG2-O 3.22Å; T86-L102 WeakPolarHBondContact OG1-CD2 3.21Å |
| 87 | E | 87.5 | Confident | 87.8 | Confident | 100 Ų | 100 | 60.3 Ų | 60.3 | 47% | 0.467 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -78.4 | -22.5 | 179.1 | -69.2 | 177.3 | 177.1 | 0 | 0 | 112.5 | Q83 F84 P89 | Q83-E87 HydrophobicContact CG-CG 4.32Å; Q83-E87 WeakPolarHBondContact CG-OE1 3.35Å; Q83-E87 PolarHBondContact NE2-OE1 3.3Å; Q83-E87 PolarHBondContact O-N 3.3Å; F84-E87 PolarHBondContact O-N 3.39Å; E87-P89 VanDerWaalsContact C-CD 3.48Å; E87-P89 VanDerWaalsContact O-CD 3.28Å; E87-P89 WeakPolarHBondContact O-CD 3.34Å |
| 88 | N | 89.7 | Confident | 88 | Confident | 62 Ų | 62 | 62.9 Ų | 62.9 | 33% | 0.332 | 32% | 0.32 | S | S | . | . | trans | -118.8 | 71.5 | 179.1 | -57.9 | -85.8 | 0 | 0 | 0 | 110.7 | F84 D90 Q91 | F84-N88 VanDerWaalsContact O-CB 3.3Å; F84-N88 WeakPolarHBondContact O-CB 3.18Å; F84-N88 PolarHBondContact O-N 3.12Å; F84-N88 PolarHBondContact O-ND2 2.87Å; N88-D90 PolarHBondContact O-N 2.86Å; N88-Q91 HydrophobicContact CB-CB 4.2Å; N88-Q91 HydrophobicContact CB-CG 3.67Å; N88-Q91 WeakPolarHBondContact O-CB 3.48Å; N88-Q91 PolarHBondContact O-N 3.48Å | ||
| 89 | P | 85.3 | Confident | 88.1 | Confident | 61 Ų | 61 | 65.6 Ų | 65.6 | 40% | 0.396 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -22.7 | -171.8 | 24.3 | -34.9 | 0 | 0 | 0 | 113.8 | E87 Q91 V99 | E87-P89 VanDerWaalsContact C-CD 3.48Å; E87-P89 VanDerWaalsContact O-CD 3.28Å; E87-P89 WeakPolarHBondContact O-CD 3.34Å; P89-Q91 VanDerWaalsContact C-N 3.33Å; P89-V99 WeakPolarHBondContact O-CG1 3.44Å |
| 90 | D | 87.2 | Confident | 88.5 | Confident | 105 Ų | 105 | 65.3 Ų | 65.3 | 56% | 0.561 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -6.2 | 179 | -62.3 | -46.2 | 0 | 0 | 0 | 114.1 | N88 K93 | N88-D90 PolarHBondContact O-N 2.86Å; D90-K93 WeakPolarHBondContact O-CD 3.3Å; D90-K93 WeakPolarHBondContact O-CE 3.35Å; D90-K93 PolarHBondContact O-NZ 2.9Å |
| 91 | Q | 90.6 | Very high | 88.5 | Confident | 120 Ų | 120 | 62 Ų | 62 | 56% | 0.561 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -25.7 | -176.8 | -68.9 | -68.1 | -15.8 | 0 | 0 | 113.2 | F84 Y85 N88 P89 K93 | F84-Q91 HydrophobicContact CE1-CB 4.15Å; F84-Q91 HydrophobicContact CE1-CG 4.24Å; F84-Q91 HydrophobicContact CZ-CG 4.29Å; Y85-Q91 HydrophobicContact CD1-CB 4.05Å; Y85-Q91 HydrophobicContact CE1-CB 4.03Å; N88-Q91 HydrophobicContact CB-CB 4.2Å; N88-Q91 HydrophobicContact CB-CG 3.67Å; N88-Q91 WeakPolarHBondContact O-CB 3.48Å; N88-Q91 PolarHBondContact O-N 3.48Å; P89-Q91 VanDerWaalsContact C-N 3.33Å; Q91-K93 PolarHBondContact O-N 3.22Å |
| 92 | L | 91 | Very high | 88.5 | Confident | 8 Ų | 8 | 62.1 Ų | 62.1 | 4% | 0.042 | 32% | 0.32 | C | S | . | . | trans | -93.3 | 101.7 | 179.4 | -165.3 | 63.8 | 0 | 0 | 0 | 110.2 | L47 I58 L69 Y85 I100 | L47-L92 HydrophobicContact CD2-CD2 4.04Å; I58-L92 HydrophobicContact CD1-CD1 4.08Å; I58-L92 HydrophobicContact CD1-CD2 3.82Å; I58-L92 HydrophobicContact CD1-CG 4.13Å; L69-L92 HydrophobicContact CD1-CD1 3.33Å; Y85-L92 HydrophobicContact CD1-CB 3.77Å; Y85-L92 HydrophobicContact CD1-CD1 4.05Å; Y85-L92 HydrophobicContact CD1-CG 4.41Å; Y85-L92 HydrophobicContact CE1-CB 4.36Å; Y85-L92 HydrophobicContact CE1-CD1 4.12Å; Y85-L92 HydrophobicContact CG-CB 4.37Å; Y85-L92 HydrophobicContact CG-CD1 4.35Å; L92-I100 HydrophobicContact CB-CB 4.4Å; L92-I100 HydrophobicContact CD2-CB 3.98Å; L92-I100 HydrophobicContact CD2-CG2 3.81Å; L92-I100 HydrophobicContact CG-CB 3.9Å; L92-I100 HydrophobicContact CG-CD1 4.37Å; L92-I100 HydrophobicContact CG-CG2 4.27Å; L92-I100 PolarHBondContact O-N 2.69Å | ||
| 93 | K | 89.9 | Confident | 88.2 | Confident | 106 Ų | 106 | 67.5 Ų | 67.5 | 46% | 0.461 | 34% | 0.343 | S | S | . | . | B | Isolated β-bridge | trans | -132.5 | 150.2 | -174.2 | -72.6 | 168.6 | 171.5 | 149.9 | 0 | 112.4 | D90 Q91 D98 V99 | D90-K93 WeakPolarHBondContact O-CD 3.3Å; D90-K93 WeakPolarHBondContact O-CE 3.35Å; D90-K93 PolarHBondContact O-NZ 2.9Å; Q91-K93 PolarHBondContact O-N 3.22Å; K93-D98 CarbonylContact C-O 3.6Å; K93-D98 VanDerWaalsContact CA-O 3.32Å; K93-D98 WeakPolarHBondContact CA-O 3.29Å; K93-V99 HydrophobicContact CD-CG2 4.44Å; K93-V99 HydrophobicContact CG-CG2 3.99Å |
| 94 | E | 87 | Confident | 88.1 | Confident | 59 Ų | 59 | 68.5 Ų | 68.5 | 28% | 0.276 | 35% | 0.345 | S | S | . | . | trans | -75.1 | 166.8 | 165.7 | -73 | -177.1 | 147.5 | 0 | 0 | 111.3 | R51 R54 N96 G97 D98 I100 | R51-E94 IonicContact CZ-OE1 2.71Å; R51-E94 IonicContact CZ-OE2 3.27Å; R51-E94 IonicContact NH1-OE1 2.85Å; R51-E94 PolarHBondContact NH1-OE1 3.21Å; R51-E94 IonicContact NH1-OE2 4Å; R51-E94 PolarHBondContact NH1-OE2 3.46Å; R51-E94 IonicContact NH2-OE1 3.17Å; R51-E94 IonicContact NH2-OE2 2.88Å; R51-E94 PolarHBondContact NH2-OE2 3.37Å; R54-E94 IonicContact NH2-OE2 2.89Å; R54-E94 PolarHBondContact NH2-OE2 3.18Å; E94-N96 WeakPolarHBondContact CB-OD1 3.45Å; E94-N96 PolarHBondContact O-N 3.43Å; E94-N96 VanDerWaalsContact O-N 3.09Å; E94-G97 PolarHBondContact O-N 2.75Å; E94-D98 HydrophobicContact CB-CB 4.41Å; E94-D98 PolarHBondContact N-O 2.88Å; E94-I100 HydrophobicContact CG-CD1 3.92Å; E94-I100 HydrophobicContact CG-CG1 4.2Å | ||
| 95 | K | 84.1 | Confident | 87.8 | Confident | 225 Ų | 225 | 68.1 Ų | 68.1 | 98% | 0.978 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -24.6 | 179.4 | -68.8 | -173.1 | 177.8 | -175.9 | 0 | 114 | G97 | K95-G97 VanDerWaalsContact C-N 3.3Š|
| 96 | N | 86.8 | Confident | 87.5 | Confident | 107 Ų | 107 | 69 Ų | 69 | 57% | 0.572 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -0.1 | 177.3 | 65.6 | -10.4 | 0 | 0 | 0 | 113.3 | E94 D98 | E94-N96 WeakPolarHBondContact CB-OD1 3.45Å; E94-N96 PolarHBondContact O-N 3.43Å; E94-N96 VanDerWaalsContact O-N 3.09Å; N96-D98 VanDerWaalsContact ND2-CG 3.32Å; N96-D98 PolarHBondContact ND2-OD2 3.29Å; N96-D98 WeakPolarHBondContact OD1-CB 3.32Å; N96-D98 PolarHBondContact OD1-N 3.47Å |
| 97 | G | 86.8 | Confident | 87 | Confident | 42 Ų | 42 | 68.9 Ų | 68.9 | 43% | 0.433 | 35% | 0.351 | S | S | . | . | S | Bend | trans | 91.1 | -4.7 | -178 | 0 | 0 | 0 | 0 | 0 | 114.9 | E94 K95 V99 | E94-G97 PolarHBondContact O-N 2.75Å; K95-G97 VanDerWaalsContact C-N 3.3Å; G97-V99 PolarHBondContact O-N 2.62Å |
| 98 | D | 88.8 | Confident | 86.3 | Confident | 75 Ų | 75 | 65.1 Ų | 65.1 | 40% | 0.401 | 34% | 0.337 | S | S | . | . | trans | -64.6 | 122 | 179.4 | -73.3 | -21.2 | 0 | 0 | 0 | 110.7 | K93 E94 N96 | K93-D98 CarbonylContact C-O 3.6Å; K93-D98 VanDerWaalsContact CA-O 3.32Å; K93-D98 WeakPolarHBondContact CA-O 3.29Å; E94-D98 HydrophobicContact CB-CB 4.41Å; E94-D98 PolarHBondContact N-O 2.88Å; N96-D98 VanDerWaalsContact ND2-CG 3.32Å; N96-D98 PolarHBondContact ND2-OD2 3.29Å; N96-D98 WeakPolarHBondContact OD1-CB 3.32Å; N96-D98 PolarHBondContact OD1-N 3.47Å | ||
| 99 | V | 89.7 | Confident | 85.5 | Confident | 58 Ų | 58 | 67.6 Ų | 67.6 | 35% | 0.352 | 35% | 0.354 | S | S | . | . | B | Isolated β-bridge | trans | -67.4 | 136.4 | 176.9 | 178.3 | 0 | 0 | 0 | 0 | 110.4 | P89 K93 G97 P101 | P89-V99 WeakPolarHBondContact O-CG1 3.44Å; K93-V99 HydrophobicContact CD-CG2 4.44Å; K93-V99 HydrophobicContact CG-CG2 3.99Å; G97-V99 PolarHBondContact O-N 2.62Å; V99-P101 WeakPolarHBondContact O-CD 3.45Å |
| 100 | I | 91 | Very high | 85.3 | Confident | 6 Ų | 6 | 66.2 Ų | 66.2 | 3% | 0.031 | 34% | 0.343 | C | S | . | . | trans | -101.3 | 101 | 172.7 | -57.9 | -179.3 | 0 | 0 | 0 | 107.3 | V49 T56 I58 L92 E94 L102 | V49-I100 HydrophobicContact CB-CG2 4.08Å; V49-I100 HydrophobicContact CG1-CG2 3.96Å; V49-I100 HydrophobicContact CG2-CG2 4.01Å; T56-I100 HydrophobicContact CG2-CD1 4.19Å; I58-I100 HydrophobicContact CD1-CD1 3.59Å; I58-I100 HydrophobicContact CD1-CG2 4.06Å; I58-I100 HydrophobicContact CG1-CD1 4.27Å; L92-I100 HydrophobicContact CB-CB 4.4Å; L92-I100 HydrophobicContact CD2-CB 3.98Å; L92-I100 HydrophobicContact CD2-CG2 3.81Å; L92-I100 HydrophobicContact CG-CB 3.9Å; L92-I100 HydrophobicContact CG-CD1 4.37Å; L92-I100 HydrophobicContact CG-CG2 4.27Å; L92-I100 PolarHBondContact O-N 2.69Å; E94-I100 HydrophobicContact CG-CD1 3.92Å; E94-I100 HydrophobicContact CG-CG1 4.2Å; I100-L102 PolarHBondContact O-N 3.44Å | ||
| 101 | P | 87.6 | Confident | 85.1 | Confident | 20 Ų | 20 | 63.1 Ų | 63.1 | 13% | 0.13 | 33% | 0.329 | C | S | . | . | trans | -70.4 | 118.8 | -176.9 | 27.6 | -33.5 | 0 | 0 | 0 | 110.9 | G31 V49 V99 K103 | G31-P101 VanDerWaalsContact CA-O 3.25Å; G31-P101 WeakPolarHBondContact CA-O 3.43Å; V49-P101 WeakPolarHBondContact CG1-O 3.43Å; V99-P101 WeakPolarHBondContact O-CD 3.45Å; P101-K103 HydrophobicContact CB-CD 4.02Å; P101-K103 HydrophobicContact CB-CG 4.03Å | ||
| 102 | L | 89.3 | Confident | 84.8 | Confident | 4 Ų | 4 | 58.3 Ų | 58.3 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | trans | -99.6 | 83.3 | 172.1 | -161 | 69.8 | 0 | 0 | 0 | 109.1 | F33 L47 V49 V82 T86 I100 | F33-L102 HydrophobicContact CB-CD1 3.38Å; F33-L102 HydrophobicContact CD1-CB 4.48Å; F33-L102 HydrophobicContact CD1-CD1 3.35Å; F33-L102 HydrophobicContact CD1-CG 3.59Å; F33-L102 HydrophobicContact CD2-CD1 3.55Å; F33-L102 HydrophobicContact CD2-CG 4.18Å; F33-L102 HydrophobicContact CE1-CD1 3.87Å; F33-L102 HydrophobicContact CE1-CD2 4.49Å; F33-L102 HydrophobicContact CE1-CG 3.59Å; F33-L102 HydrophobicContact CE2-CD1 4.06Å; F33-L102 HydrophobicContact CE2-CD2 4.44Å; F33-L102 HydrophobicContact CE2-CG 4.2Å; F33-L102 HydrophobicContact CG-CD1 3.13Å; F33-L102 HydrophobicContact CG-CG 3.87Å; F33-L102 HydrophobicContact CZ-CD1 4.18Å; F33-L102 HydrophobicContact CZ-CD2 4.32Å; F33-L102 HydrophobicContact CZ-CG 3.89Å; L47-L102 HydrophobicContact CD1-CD1 3.82Å; L47-L102 HydrophobicContact CD2-CD1 4.01Å; L47-L102 HydrophobicContact CG-CD1 4.37Å; V49-L102 HydrophobicContact CG2-CD1 4.11Å; V82-L102 HydrophobicContact CG1-CD2 4.42Å; T86-L102 WeakPolarHBondContact CG2-O 3.22Å; T86-L102 WeakPolarHBondContact OG1-CD2 3.21Å; I100-L102 PolarHBondContact O-N 3.44Å | ||
| 103 | K | 83.9 | Confident | 84.5 | Confident | 116 Ų | 116 | 61.2 Ų | 61.2 | 50% | 0.504 | 33% | 0.326 | S | S | . | . | trans | -109.1 | -48.1 | -166.7 | -70.4 | 178.5 | 178.3 | 178.1 | 0 | 114.4 | G31 P101 | G31-K103 PolarHBondContact O-N 3.07Å; P101-K103 HydrophobicContact CB-CD 4.02Å; P101-K103 HydrophobicContact CB-CG 4.03Å | ||
| 104 | Y | 83.4 | Confident | 84.6 | Confident | 69 Ų | 69 | 58.4 Ų | 58.4 | 27% | 0.271 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 101.7 | -171 | -50 | -67.4 | 0 | 0 | 0 | 110.7 | F29 D30 G31 S32 F33 F106 | F29-Y104 HydrophobicContact CB-CD2 4.31Å; D30-Y104 WeakPolarHBondContact O-CD2 3.38Å; D30-Y104 WeakPolarHBondContact O-CE2 3.44Å; G31-Y104 PolarHBondContact O-N 2.8Å; S32-Y104 CarbonylContact C-O 3.55Å; S32-Y104 WeakPolarHBondContact CA-O 3.49Å; F33-Y104 WeakPolarHBondContact CD1-O 3.41Å; F33-Y104 PolarHBondContact N-O 2.76Å; Y104-F106 PolarHBondContact O-N 2.91Å; Y104-F106 VanDerWaalsContact O-N 3.13Å |
| 105 | P | 84.9 | Confident | 84.9 | Confident | 46 Ų | 46 | 56.3 Ų | 56.3 | 30% | 0.299 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 120.9 | 172 | -18.9 | 27.5 | 0 | 0 | 0 | 110.2 | W10 F33 N107 | W10-P105 HydrophobicContact CB-CB 4.09Å; F33-P105 HydrophobicContact CE1-CB 4.12Å; F33-P105 HydrophobicContact CE1-CG 3.76Å; F33-P105 VanDerWaalsContact CE1-N 3.31Å; F33-P105 HydrophobicContact CE2-CB 4.28Å; F33-P105 HydrophobicContact CZ-CB 3.81Å; F33-P105 HydrophobicContact CZ-CG 3.59Å; P105-N107 PolarHBondContact O-N 2.95Å |
| 106 | F | 84.6 | Confident | 85.4 | Confident | 32 Ų | 32 | 46.1 Ų | 46.1 | 14% | 0.14 | 26% | 0.259 | C | S | . | . | trans | -90.9 | 92.6 | 174.4 | -169.4 | -85.9 | 0 | 0 | 0 | 107.4 | H12 L23 L24 R27 F33 L34 Y104 | H12-F106 AromaticContact CE1-CD1 3.82Å; H12-F106 AromaticContact NE2-CD1 3.7Å; H12-F106 PolarHBondContact NE2-O 3.1Å; L23-F106 HydrophobicContact CB-CE1 4.13Å; L23-F106 HydrophobicContact CB-CZ 4.14Å; L24-F106 HydrophobicContact CD2-CB 3.96Å; L24-F106 HydrophobicContact CD2-CD2 4.15Å; L24-F106 HydrophobicContact CD2-CG 4.01Å; R27-F106 HydrophobicContact CB-CE2 3.8Å; R27-F106 HydrophobicContact CB-CZ 4.04Å; F33-F106 WeakPolarHBondContact O-CA 3.18Å; F33-F106 WeakPolarHBondContact O-CB 3.44Å; F33-F106 PolarHBondContact O-N 2.79Å; L34-F106 HydrophobicContact CB-CB 4.26Å; L34-F106 HydrophobicContact CD2-CD1 3.86Å; L34-F106 HydrophobicContact CD2-CG 4.43Å; Y104-F106 PolarHBondContact O-N 2.91Å; Y104-F106 VanDerWaalsContact O-N 3.13Å | ||
| 107 | N | 76.8 | Confident | 85.6 | Confident | 26 Ų | 26 | 41.5 Ų | 41.5 | 14% | 0.139 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -75.5 | 141.3 | -170.7 | -75 | -3.7 | 0 | 0 | 0 | 112.9 | R9 W10 P105 Q555 | R9-N107 HydrophobicContact CB-CB 3.81Å; R9-N107 VanDerWaalsContact CB-CG 3.47Å; R9-N107 CarbonylContact O-C 3.5Å; R9-N107 VanDerWaalsContact O-CA 3.24Å; R9-N107 WeakPolarHBondContact O-CA 3.4Å; W10-N107 PolarHBondContact N-OD1 2.64Å; P105-N107 PolarHBondContact O-N 2.95Å; N107-Q555 PolarHBondContact ND2-OE1 3.45Å |
| 108 | A | 74.1 | Confident | 85.9 | Confident | 21 Ų | 21 | 40.5 Ų | 40.5 | 17% | 0.174 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -66.8 | 138.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | R9 F11 H12 | R9-A108 PolarHBondContact O-N 3.38Å; F11-A108 WeakPolarHBondContact O-CB 3.47Å; H12-A108 VanDerWaalsContact CE1-CA 3.45Å; H12-A108 WeakPolarHBondContact CE1-CA 3.5Å; H12-A108 PolarHBondContact NE2-N 3.14Å |
| 109 | T | 71.7 | Confident | 85.7 | Confident | 113 Ų | 113 | 37.1 Ų | 37.1 | 69% | 0.693 | 20% | 0.201 | S | C | * | . | P | Polyproline II helix | trans | -67.4 | 147.6 | 169.3 | 49.7 | 0 | 0 | 0 | 0 | 109.5 | ||
| 110 | D | 81.1 | Confident | 85.4 | Confident | 32 Ų | 32 | 37.6 Ų | 37.6 | 17% | 0.171 | 20% | 0.197 | C | C | . | . | P | Polyproline II helix | trans | -54.3 | 139.9 | 172.7 | -61.4 | -42.1 | 0 | 0 | 0 | 109.6 | R9 T112 F117 S240 | R9-D110 IonicContact CZ-OD1 2.62Å; R9-D110 IonicContact NH1-OD1 3.86Å; R9-D110 PolarHBondContact NH1-OD1 3.48Å; R9-D110 IonicContact NH1-OD2 2.64Å; R9-D110 IonicContact NH2-OD1 2.99Å; R9-D110 PolarHBondContact NH2-OD1 3.03Å; D110-T112 PolarHBondContact O-N 3.06Å; D110-F117 HydrophobicContact CB-CD1 4.44Å; D110-F117 HydrophobicContact CB-CE1 4.07Å; D110-S240 PolarHBondContact OD2-OG 2.96Å |
| 111 | P | 83.2 | Confident | 85.2 | Confident | 40 Ų | 40 | 37.8 Ų | 37.8 | 26% | 0.26 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -67 | -16.5 | -177.8 | 30.2 | -39.5 | 0 | 0 | 0 | 112.9 | F117 Y151 L205 | P111-F117 HydrophobicContact CG-CE1 4.12Å; P111-F117 HydrophobicContact CG-CE2 4.09Å; P111-F117 HydrophobicContact CG-CZ 3.81Å; P111-Y151 HydrophobicContact CG-CE1 3.69Å; P111-Y151 WeakPolarHBondContact CG-OH 3.42Å; P111-L205 HydrophobicContact CB-CD1 3.93Å; P111-L205 HydrophobicContact CG-CD1 3.58Å |
| 112 | T | 85.5 | Confident | 85.2 | Confident | 20 Ų | 20 | 37.9 Ų | 37.9 | 12% | 0.123 | 20% | 0.199 | C | C | . | . | trans | -155.5 | 152.8 | 179.8 | -173.4 | 0 | 0 | 0 | 0 | 110.4 | D110 E114 W116 F117 S206 | D110-T112 PolarHBondContact O-N 3.06Å; T112-E114 VanDerWaalsContact C-N 3.33Å; T112-E114 HydrophobicContact CG2-CB 4.08Å; T112-E114 WeakPolarHBondContact OG1-CB 3.47Å; T112-E114 VanDerWaalsContact OG1-CG 3.27Å; T112-E114 WeakPolarHBondContact OG1-CG 3.43Å; T112-E114 PolarHBondContact OG1-N 3.36Å; T112-W116 HydrophobicContact CG2-CH2 3.95Å; T112-W116 HydrophobicContact CG2-CZ3 4.24Å; T112-F117 HydrophobicContact CG2-CB 3.68Å; T112-F117 HydrophobicContact CG2-CD1 4.35Å; T112-F117 HydrophobicContact CG2-CG 3.94Å; T112-S206 PolarHBondContact OG1-OG 3.14Å | ||
| 113 | T | 85.3 | Confident | 85.2 | Confident | 69 Ų | 69 | 38.5 Ų | 38.5 | 42% | 0.423 | 21% | 0.207 | S | C | . | . | trans | -91.5 | 0.7 | 172.1 | 53.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 114 | E | 91.3 | Very high | 85.6 | Confident | 46 Ų | 46 | 42.5 Ų | 42.5 | 22% | 0.215 | 22% | 0.219 | C | C | . | . | trans | -63.8 | 137.8 | -178.5 | -72.1 | -59.8 | 138.6 | 0 | 0 | 112.6 | T112 W116 F117 S206 K247 | T112-E114 VanDerWaalsContact C-N 3.33Å; T112-E114 HydrophobicContact CG2-CB 4.08Å; T112-E114 WeakPolarHBondContact OG1-CB 3.47Å; T112-E114 VanDerWaalsContact OG1-CG 3.27Å; T112-E114 WeakPolarHBondContact OG1-CG 3.43Å; T112-E114 PolarHBondContact OG1-N 3.36Å; E114-W116 VanDerWaalsContact C-N 3.29Å; E114-W116 HydrophobicContact CB-CD2 4.04Å; E114-W116 HydrophobicContact CB-CG 4.4Å; E114-W116 HydrophobicContact CB-CH2 4.3Å; E114-W116 HydrophobicContact CB-CZ2 3.56Å; E114-W116 HydrophobicContact CG-CZ2 3.72Å; E114-W116 PolarHBondContact O-N 3.49Å; E114-F117 WeakPolarHBondContact O-CB 3.4Å; E114-F117 PolarHBondContact O-N 2.98Å; E114-F117 VanDerWaalsContact O-N 3.09Å; E114-S206 WeakPolarHBondContact CG-OG 3.36Å; E114-K247 VanDerWaalsContact OE1-CE 3.29Å; E114-K247 WeakPolarHBondContact OE1-CE 3.14Å; E114-K247 IonicContact OE1-NZ 3.89Å; E114-K247 PolarHBondContact OE1-NZ 3.18Å; E114-K247 WeakPolarHBondContact OE2-CE 3.26Å; E114-K247 IonicContact OE2-NZ 3.34Å | ||
| 115 | R | 92.4 | Very high | 86 | Confident | 16 Ų | 16 | 43 Ų | 43 | 6% | 0.06 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -19.4 | -171.3 | -68.1 | 172.1 | 68.3 | -143.7 | -2.7 | 113.8 | F117 N232 T233 K247 E260 E261 | R115-F117 PolarHBondContact O-N 3.28Å; R115-N232 HydrophobicContact CB-CB 3.85Å; R115-N232 WeakPolarHBondContact CB-OD1 3.43Å; R115-N232 PolarHBondContact NH1-ND2 3.09Å; R115-N232 CarbonylContact O-C 3.51Å; R115-N232 WeakPolarHBondContact O-CA 3.44Å; R115-T233 PolarHBondContact O-N 3.45Å; R115-K247 HydrophobicContact CG-CG 4.41Å; R115-E260 IonicContact CZ-OE1 3.51Å; R115-E260 IonicContact CZ-OE2 3.03Å; R115-E260 IonicContact NH1-OE1 3.12Å; R115-E260 PolarHBondContact NH1-OE1 3.45Å; R115-E260 IonicContact NH1-OE2 3.89Å; R115-E260 PolarHBondContact NH1-OE2 3.23Å; R115-E260 IonicContact NH2-OE1 3.58Å; R115-E260 PolarHBondContact NH2-OE1 3.3Å; R115-E260 IonicContact NH2-OE2 2.85Å; R115-E261 IonicContact CZ-OE1 2.73Å; R115-E261 IonicContact NE-OE1 2.69Å; R115-E261 PolarHBondContact NE-OE1 3.16Å; R115-E261 IonicContact NH2-OE1 3.06Å; R115-E261 PolarHBondContact NH2-OE1 3.35Å |
| 116 | W | 94.2 | Very high | 86.4 | Confident | 10 Ų | 10 | 40.9 Ų | 40.9 | 4% | 0.038 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -5.6 | 172.3 | 50.6 | -102.6 | 0 | 0 | 0 | 113.3 | T112 E114 H118 F139 L140 V141 L205 V209 P230 | T112-W116 HydrophobicContact CG2-CH2 3.95Å; T112-W116 HydrophobicContact CG2-CZ3 4.24Å; E114-W116 VanDerWaalsContact C-N 3.29Å; E114-W116 HydrophobicContact CB-CD2 4.04Å; E114-W116 HydrophobicContact CB-CG 4.4Å; E114-W116 HydrophobicContact CB-CH2 4.3Å; E114-W116 HydrophobicContact CB-CZ2 3.56Å; E114-W116 HydrophobicContact CG-CZ2 3.72Å; E114-W116 PolarHBondContact O-N 3.49Å; W116-H118 PolarHBondContact O-CD2 3.16Å; W116-F139 HydrophobicContact CB-CE2 4.11Å; W116-F139 HydrophobicContact CD2-CE2 4.47Å; W116-F139 HydrophobicContact CG-CE2 4.1Å; W116-L140 WeakPolarHBondContact O-CA 3.47Å; W116-V141 HydrophobicContact CE3-CB 3.55Å; W116-V141 HydrophobicContact CE3-CG2 3.39Å; W116-V141 HydrophobicContact CH2-CG2 4.49Å; W116-V141 HydrophobicContact CZ3-CB 3.5Å; W116-V141 HydrophobicContact CZ3-CG1 4.1Å; W116-V141 HydrophobicContact CZ3-CG2 3.37Å; W116-V141 PolarHBondContact O-N 2.95Å; W116-L205 HydrophobicContact CH2-CB 3.7Å; W116-L205 HydrophobicContact CZ3-CB 4.27Å; W116-V209 HydrophobicContact CD2-CG2 4.47Å; W116-V209 HydrophobicContact CE3-CG2 4.27Å; W116-V209 HydrophobicContact CH2-CB 4.44Å; W116-V209 HydrophobicContact CH2-CG2 3.77Å; W116-V209 HydrophobicContact CZ2-CB 4.16Å; W116-V209 HydrophobicContact CZ2-CG1 4.48Å; W116-V209 HydrophobicContact CZ2-CG2 3.94Å; W116-V209 HydrophobicContact CZ3-CG2 3.95Å; W116-P230 HydrophobicContact CB-CB 3.77Å; W116-P230 HydrophobicContact CG-CB 4.31Å |
| 117 | F | 93 | Very high | 86.9 | Confident | 10 Ų | 10 | 42.9 Ų | 42.9 | 4% | 0.044 | 22% | 0.219 | C | C | . | . | B | Isolated β-bridge | trans | -88.7 | 113.3 | 172.8 | -177.5 | -111.3 | 0 | 0 | 0 | 110.5 | D110 P111 T112 E114 R115 V141 E143 Y151 T233 | D110-F117 HydrophobicContact CB-CD1 4.44Å; D110-F117 HydrophobicContact CB-CE1 4.07Å; P111-F117 HydrophobicContact CG-CE1 4.12Å; P111-F117 HydrophobicContact CG-CE2 4.09Å; P111-F117 HydrophobicContact CG-CZ 3.81Å; T112-F117 HydrophobicContact CG2-CB 3.68Å; T112-F117 HydrophobicContact CG2-CD1 4.35Å; T112-F117 HydrophobicContact CG2-CG 3.94Å; E114-F117 WeakPolarHBondContact O-CB 3.4Å; E114-F117 PolarHBondContact O-N 2.98Å; E114-F117 VanDerWaalsContact O-N 3.09Å; R115-F117 PolarHBondContact O-N 3.28Å; F117-V141 CarbonylContact C-O 3.48Å; F117-V141 WeakPolarHBondContact CA-O 3.01Å; F117-V141 HydrophobicContact CD2-CB 4.22Å; F117-V141 HydrophobicContact CD2-CG1 4Å; F117-V141 HydrophobicContact CE2-CG1 4.42Å; F117-E143 HydrophobicContact CZ-CG 4.1Å; F117-Y151 AromaticContact CE2-CD1 3.8Å; F117-Y151 HydrophobicContact CE2-CD1 3.8Å; F117-Y151 AromaticContact CE2-CE1 3.85Å; F117-Y151 HydrophobicContact CE2-CE1 3.85Å; F117-Y151 HydrophobicContact CZ-CD1 4.4Å; F117-Y151 HydrophobicContact CZ-CE1 4.03Å; F117-T233 VanDerWaalsContact O-CG2 3.23Å; F117-T233 WeakPolarHBondContact O-CG2 3.4Å |
| 118 | H | 91.3 | Very high | 87.7 | Confident | 22 Ų | 22 | 46.5 Ų | 46.5 | 10% | 0.102 | 24% | 0.235 | C | C | . | . | trans | -92.6 | -0.1 | -176.7 | -75.7 | -124.3 | 0 | 0 | 0 | 113.5 | W116 I121 L140 V141 L231 | W116-H118 PolarHBondContact O-CD2 3.16Å; H118-I121 HydrophobicContact CB-CD1 3.55Å; H118-I121 HydrophobicContact CB-CG1 3.91Å; H118-I121 HydrophobicContact CB-CG2 4.48Å; H118-L140 HydrophobicContact CB-CD1 4.5Å; H118-V141 PolarHBondContact N-O 2.79Å; H118-L231 PolarHBondContact NE2-O 2.81Å | ||
| 119 | G | 86.1 | Confident | 88.6 | Confident | 4 Ų | 4 | 47.6 Ų | 47.6 | 4% | 0.041 | 24% | 0.238 | C | C | . | . | trans | 63.8 | -134.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I121 R142 E143 | G119-I121 PolarHBondContact O-N 3.38Å; G119-R142 CarbonylContact O-C 3.49Å; G119-R142 WeakPolarHBondContact O-CA 3.24Å; G119-R142 WeakPolarHBondContact O-CB 3.03Å; G119-E143 PolarHBondContact O-N 3.47Å | ||
| 120 | Y | 81.8 | Confident | 89.7 | Confident | 67 Ų | 67 | 42.2 Ų | 42.2 | 26% | 0.263 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -83.4 | 88.8 | -176.7 | -166.9 | -98.8 | 0 | 0 | 0 | 111.8 | N6 R8 E143 Q145 | N6-Y120 WeakPolarHBondContact O-CE1 3.37Å; N6-Y120 VanDerWaalsContact O-CZ 3.23Å; R8-Y120 HydrophobicContact CG-CE2 4.29Å; Y120-E143 HydrophobicContact CD2-CB 4.37Å; Y120-Q145 HydrophobicContact CE2-CG 3.9Å |
| 121 | I | 86.8 | Confident | 90.3 | Very high | 11 Ų | 11 | 44 Ų | 44 | 6% | 0.056 | 21% | 0.214 | C | C | . | . | trans | -128.6 | 149.5 | 167.8 | 62.1 | 166 | 0 | 0 | 0 | 110.2 | H118 G119 E125 A126 L129 L140 R142 | H118-I121 HydrophobicContact CB-CD1 3.55Å; H118-I121 HydrophobicContact CB-CG1 3.91Å; H118-I121 HydrophobicContact CB-CG2 4.48Å; G119-I121 PolarHBondContact O-N 3.38Å; I121-E125 HydrophobicContact CB-CB 4.43Å; I121-A126 HydrophobicContact CD1-CB 3.83Å; I121-L129 HydrophobicContact CD1-CD1 4.09Å; I121-L140 HydrophobicContact CD1-CD1 3.93Å; I121-L140 HydrophobicContact CD1-CD2 4.21Å; I121-R142 HydrophobicContact CD1-CB 4.34Å; I121-R142 HydrophobicContact CG1-CB 3.64Å; I121-R142 HydrophobicContact CG1-CG 4.36Å; I121-R142 WeakPolarHBondContact O-CD 3.11Å; I121-R142 PolarHBondContact O-NH1 3.02Å | ||
| 122 | S | 88.5 | Confident | 90.6 | Very high | 21 Ų | 21 | 48.1 Ų | 48.1 | 15% | 0.147 | 23% | 0.23 | C | C | . | . | trans | -73 | 164.5 | 178.3 | 67.3 | 0 | 0 | 0 | 0 | 112.6 | R124 E125 A126 Q145 | S122-R124 VanDerWaalsContact C-N 3.31Å; S122-R124 PolarHBondContact O-N 2.88Å; S122-E125 VanDerWaalsContact CB-OE2 3.26Å; S122-E125 WeakPolarHBondContact CB-OE2 3.28Å; S122-E125 PolarHBondContact N-OE2 2.95Å; S122-E125 PolarHBondContact O-N 2.87Å; S122-E125 WeakPolarHBondContact OG-CB 3.38Å; S122-E125 VanDerWaalsContact OG-CG 3.24Å; S122-E125 WeakPolarHBondContact OG-CG 3.46Å; S122-E125 PolarHBondContact OG-N 3.1Å; S122-E125 VanDerWaalsContact OG-N 3.09Å; S122-E125 PolarHBondContact OG-OE2 3.31Å; S122-A126 WeakPolarHBondContact O-CB 3.26Å; S122-A126 PolarHBondContact O-N 3.29Å; S122-Q145 VanDerWaalsContact CA-OE1 3.25Å | ||
| 123 | G | 90.3 | Very high | 90.7 | Very high | 17 Ų | 17 | 52.7 Ų | 52.7 | 18% | 0.175 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -54.6 | -50.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | E125 A126 E127 R142 | G123-E125 PolarHBondContact O-N 3.43Å; G123-A126 WeakPolarHBondContact O-CB 3.37Å; G123-A126 PolarHBondContact O-N 3.35Å; G123-A126 VanDerWaalsContact O-N 3.14Å; G123-E127 WeakPolarHBondContact O-CG 3.4Å; G123-E127 PolarHBondContact O-N 3.09Å; G123-R142 VanDerWaalsContact CA-NH2 3.33Å |
| 124 | R | 91.7 | Very high | 90.9 | Very high | 201 Ų | 201 | 50.1 Ų | 50.1 | 76% | 0.758 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -60.2 | -44.3 | -179.5 | -171.8 | 178.7 | -179.6 | -179.9 | 0.2 | 113.6 | S122 A126 E127 Q128 | S122-R124 VanDerWaalsContact C-N 3.31Å; S122-R124 PolarHBondContact O-N 2.88Å; R124-A126 VanDerWaalsContact C-N 3.34Å; R124-E127 PolarHBondContact O-N 3.43Å; R124-Q128 PolarHBondContact O-N 3.45Å |
| 125 | E | 90.6 | Very high | 91 | Very high | 80 Ų | 80 | 55 Ų | 55 | 37% | 0.374 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.5 | -40.7 | 175.6 | -71.9 | 162.8 | 129.4 | 0 | 0 | 111.3 | I121 S122 G123 E127 Q128 L129 | I121-E125 HydrophobicContact CB-CB 4.43Å; S122-E125 VanDerWaalsContact CB-OE2 3.26Å; S122-E125 WeakPolarHBondContact CB-OE2 3.28Å; S122-E125 PolarHBondContact N-OE2 2.95Å; S122-E125 PolarHBondContact O-N 2.87Å; S122-E125 WeakPolarHBondContact OG-CB 3.38Å; S122-E125 VanDerWaalsContact OG-CG 3.24Å; S122-E125 WeakPolarHBondContact OG-CG 3.46Å; S122-E125 PolarHBondContact OG-N 3.1Å; S122-E125 VanDerWaalsContact OG-N 3.09Å; S122-E125 PolarHBondContact OG-OE2 3.31Å; G123-E125 PolarHBondContact O-N 3.43Å; E125-E127 VanDerWaalsContact C-N 3.33Å; E125-E127 PolarHBondContact O-N 2.89Å; E125-Q128 PolarHBondContact O-N 3.28Å; E125-L129 WeakPolarHBondContact O-CB 3.45Å; E125-L129 VanDerWaalsContact O-CG 3.29Å; E125-L129 WeakPolarHBondContact O-CG 3.49Å; E125-L129 PolarHBondContact O-N 3.36Å |
| 126 | A | 93.9 | Very high | 91 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.9 | -39.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I121 S122 G123 R124 L130 L140 | I121-A126 HydrophobicContact CD1-CB 3.83Å; S122-A126 WeakPolarHBondContact O-CB 3.26Å; S122-A126 PolarHBondContact O-N 3.29Å; G123-A126 WeakPolarHBondContact O-CB 3.37Å; G123-A126 PolarHBondContact O-N 3.35Å; G123-A126 VanDerWaalsContact O-N 3.14Å; R124-A126 VanDerWaalsContact C-N 3.34Å; A126-L130 VanDerWaalsContact O-CB 3.3Å; A126-L130 WeakPolarHBondContact O-CB 3.39Å; A126-L130 WeakPolarHBondContact O-CD1 3.39Å; A126-L130 VanDerWaalsContact O-CG 3.29Å; A126-L130 WeakPolarHBondContact O-CG 3.44Å; A126-L130 PolarHBondContact O-N 3.47Å; A126-L140 HydrophobicContact CB-CD1 3.95Å; A126-L140 HydrophobicContact CB-CD2 4.2Å |
| 127 | E | 95.8 | Very high | 91 | Very high | 74 Ų | 74 | 57.6 Ų | 57.6 | 35% | 0.346 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.7 | -49.2 | 174.2 | -66.1 | -177.7 | 155.8 | 0 | 0 | 111.2 | G123 R124 E125 L129 L130 L131 V161 H163 | G123-E127 WeakPolarHBondContact O-CG 3.4Å; G123-E127 PolarHBondContact O-N 3.09Å; R124-E127 PolarHBondContact O-N 3.43Å; E125-E127 VanDerWaalsContact C-N 3.33Å; E125-E127 PolarHBondContact O-N 2.89Å; E127-L129 PolarHBondContact O-N 2.8Å; E127-L130 PolarHBondContact O-N 3.48Å; E127-L131 WeakPolarHBondContact O-CB 3.38Å; E127-L131 VanDerWaalsContact O-CG 3.24Å; E127-L131 WeakPolarHBondContact O-CG 3.34Å; E127-L131 PolarHBondContact O-N 3.22Å; E127-V161 HydrophobicContact CB-CB 4.37Å; E127-V161 HydrophobicContact CB-CG2 4.35Å; E127-V161 HydrophobicContact CG-CB 3.86Å; E127-V161 HydrophobicContact CG-CG1 3.95Å; E127-V161 HydrophobicContact CG-CG2 4.38Å; E127-H163 WeakPolarHBondContact CG-NE2 3.38Å; E127-H163 IonicContact OE1-CD2 3.39Å; E127-H163 IonicContact OE1-NE2 3.44Å; E127-H163 PolarHBondContact OE1-NE2 3.41Å |
| 128 | Q | 93.1 | Very high | 91.1 | Very high | 102 Ų | 102 | 57.3 Ų | 57.3 | 48% | 0.477 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.1 | -50.5 | 178.7 | -174.8 | 175 | 2.4 | 0 | 0 | 111.6 | R124 E125 L130 L131 E132 | R124-Q128 PolarHBondContact O-N 3.45Å; E125-Q128 PolarHBondContact O-N 3.28Å; Q128-L130 PolarHBondContact O-N 3.19Å; Q128-L131 PolarHBondContact O-N 2.72Å; Q128-E132 HydrophobicContact CG-CG 4.27Å; Q128-E132 WeakPolarHBondContact CG-OE1 3.48Å; Q128-E132 PolarHBondContact NE2-OE1 2.82Å; Q128-E132 WeakPolarHBondContact O-CB 3.37Å; Q128-E132 WeakPolarHBondContact O-CG 3.23Å; Q128-E132 PolarHBondContact O-N 3.25Å |
| 129 | L | 92.5 | Very high | 91.4 | Very high | 45 Ų | 45 | 56.3 Ų | 56.3 | 24% | 0.236 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.6 | -45.3 | 178.3 | -72.1 | 172.1 | 0 | 0 | 0 | 112.2 | I121 E125 E127 Q133 G134 L231 | I121-L129 HydrophobicContact CD1-CD1 4.09Å; E125-L129 WeakPolarHBondContact O-CB 3.45Å; E125-L129 VanDerWaalsContact O-CG 3.29Å; E125-L129 WeakPolarHBondContact O-CG 3.49Å; E125-L129 PolarHBondContact O-N 3.36Å; E127-L129 PolarHBondContact O-N 2.8Å; L129-Q133 WeakPolarHBondContact O-CB 3.38Å; L129-Q133 PolarHBondContact O-N 3.42Å; L129-G134 PolarHBondContact O-N 3.28Å; L129-L231 HydrophobicContact CB-CD2 4.05Å |
| 130 | L | 95.4 | Very high | 92 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.9 | -37.9 | -180 | -79.1 | 169.6 | 0 | 0 | 0 | 112.6 | A126 E127 Q128 G134 L140 R156 V161 L231 | A126-L130 VanDerWaalsContact O-CB 3.3Å; A126-L130 WeakPolarHBondContact O-CB 3.39Å; A126-L130 WeakPolarHBondContact O-CD1 3.39Å; A126-L130 VanDerWaalsContact O-CG 3.29Å; A126-L130 WeakPolarHBondContact O-CG 3.44Å; A126-L130 PolarHBondContact O-N 3.47Å; E127-L130 PolarHBondContact O-N 3.48Å; Q128-L130 PolarHBondContact O-N 3.19Å; L130-G134 CarbonylContact O-C 3.53Å; L130-G134 WeakPolarHBondContact O-CA 3.12Å; L130-G134 PolarHBondContact O-N 3.29Å; L130-L140 HydrophobicContact CD1-CD2 4.29Å; L130-L140 HydrophobicContact CD1-CG 4.31Å; L130-L140 HydrophobicContact CD2-CD2 4.36Å; L130-L140 HydrophobicContact CG-CD2 3.97Å; L130-L140 HydrophobicContact CG-CG 4.41Å; L130-R156 HydrophobicContact CB-CB 4.25Å; L130-R156 HydrophobicContact CD2-CB 4.46Å; L130-R156 WeakPolarHBondContact O-CD 3.22Å; L130-R156 PolarHBondContact O-NH1 2.98Å; L130-V161 HydrophobicContact CB-CG2 4.02Å; L130-V161 HydrophobicContact CD1-CG1 3.7Å; L130-V161 HydrophobicContact CD1-CG2 4.24Å; L130-L231 HydrophobicContact CD2-CB 4.32Å; L130-L231 HydrophobicContact CD2-CD2 4.05Å; L130-L231 HydrophobicContact CG-CD2 4.38Å |
| 131 | L | 93.4 | Very high | 92.7 | Very high | 69 Ų | 69 | 53 Ų | 53 | 36% | 0.361 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -75.4 | -37.7 | 179.7 | -69.5 | 172.9 | 0 | 0 | 0 | 112.5 | E127 Q128 R156 V161 | E127-L131 WeakPolarHBondContact O-CB 3.38Å; E127-L131 VanDerWaalsContact O-CG 3.24Å; E127-L131 WeakPolarHBondContact O-CG 3.34Å; E127-L131 PolarHBondContact O-N 3.22Å; Q128-L131 PolarHBondContact O-N 2.72Å; L131-R156 PolarHBondContact O-NH1 2.81Å; L131-V161 HydrophobicContact CD2-CG2 4.24Å; L131-V161 HydrophobicContact CG-CG2 4.07Å |
| 132 | E | 89.5 | Confident | 93 | Very high | 127 Ų | 127 | 53.4 Ų | 53.4 | 59% | 0.593 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -81.3 | -42.2 | -178.6 | -70.3 | 176.7 | -178.2 | 0 | 0 | 113.4 | Q128 | Q128-E132 HydrophobicContact CG-CG 4.27Å; Q128-E132 WeakPolarHBondContact CG-OE1 3.48Å; Q128-E132 PolarHBondContact NE2-OE1 2.82Å; Q128-E132 WeakPolarHBondContact O-CB 3.37Å; Q128-E132 WeakPolarHBondContact O-CG 3.23Å; Q128-E132 PolarHBondContact O-N 3.25Å |
| 133 | Q | 88.5 | Confident | 93.1 | Very high | 116 Ų | 116 | 54 Ų | 54 | 54% | 0.542 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113 | -23.6 | -170.8 | -56.2 | 177.6 | 27.7 | 0 | 0 | 112.9 | L129 L231 | L129-Q133 WeakPolarHBondContact O-CB 3.38Å; L129-Q133 PolarHBondContact O-N 3.42Å; Q133-L231 HydrophobicContact CB-CD1 4.08Å |
| 134 | G | 89.4 | Confident | 92.9 | Very high | 15 Ų | 15 | 53.5 Ų | 53.5 | 16% | 0.155 | 25% | 0.246 | C | C | . | . | trans | -78.2 | 173.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | L129 L130 R156 | L129-G134 PolarHBondContact O-N 3.28Å; L130-G134 CarbonylContact O-C 3.53Å; L130-G134 WeakPolarHBondContact O-CA 3.12Å; L130-G134 PolarHBondContact O-N 3.29Å; G134-R156 PolarHBondContact O-NH1 3.41Å | ||
| 135 | R | 92.1 | Very high | 92.4 | Very high | 149 Ų | 149 | 46.9 Ų | 46.9 | 56% | 0.562 | 22% | 0.223 | S | C | * | . | trans | -123.4 | 170.9 | 165.1 | 57.3 | -176.9 | 176.5 | -168.1 | -3.9 | 110.2 | G137 S138 F229 | R135-G137 PolarHBondContact O-N 3.43Å; R135-S138 WeakPolarHBondContact CG-OG 3.41Å; R135-S138 PolarHBondContact N-OG 3.32Å; R135-S138 WeakPolarHBondContact O-CB 3.3Å; R135-S138 PolarHBondContact O-N 3.06Å; R135-S138 PolarHBondContact O-OG 3.02Å; R135-F229 HydrophobicContact CG-CD2 3.61Å; R135-F229 HydrophobicContact CG-CE2 4.03Å; R135-F229 HydrophobicContact CG-CG 4.25Å; R135-F229 VanDerWaalsContact NE-CG 3.29Å | ||
| 136 | N | 93.5 | Very high | 91.9 | Very high | 76 Ų | 76 | 47.4 Ų | 47.4 | 41% | 0.406 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 131.4 | 177.5 | -172.8 | 31 | 0 | 0 | 0 | 111.9 | S138 R156 Q157 N158 F229 | N136-S138 VanDerWaalsContact C-N 3.32Å; N136-R156 PolarHBondContact OD1-O 2.93Å; N136-Q157 WeakPolarHBondContact OD1-CA 3.29Å; N136-N158 PolarHBondContact ND2-OD1 2.78Å; N136-N158 PolarHBondContact OD1-N 3.16Å; N136-F229 WeakPolarHBondContact O-CE2 3.25Å |
| 137 | G | 93.4 | Very high | 91.2 | Very high | 3 Ų | 3 | 50 Ų | 50 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | 7.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | R135 R156 K228 F229 | R135-G137 PolarHBondContact O-N 3.43Å; G137-R156 PolarHBondContact N-O 2.95Å; G137-K228 WeakPolarHBondContact O-CA 3.43Å; G137-K228 PolarHBondContact O-N 3.01Å; G137-F229 PolarHBondContact O-N 2.66Å |
| 138 | S | 96.4 | Very high | 90.2 | Very high | 5 Ų | 5 | 47.8 Ų | 47.8 | 4% | 0.035 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 145.4 | 171.5 | -54.9 | 0 | 0 | 0 | 0 | 111 | R135 N136 V155 R156 F229 | R135-S138 WeakPolarHBondContact CG-OG 3.41Å; R135-S138 PolarHBondContact N-OG 3.32Å; R135-S138 WeakPolarHBondContact O-CB 3.3Å; R135-S138 PolarHBondContact O-N 3.06Å; R135-S138 PolarHBondContact O-OG 3.02Å; N136-S138 VanDerWaalsContact C-N 3.32Å; S138-V155 WeakPolarHBondContact O-CA 3.49Å; S138-R156 PolarHBondContact O-N 3.4Å; S138-F229 CarbonylContact C-O 3.57Å; S138-F229 WeakPolarHBondContact CA-O 3.19Å |
| 139 | F | 97.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 158.2 | -176.9 | 71.9 | -87.5 | 0 | 0 | 0 | 112.4 | W116 L153 S154 V155 V209 R213 L227 F229 P230 L231 | W116-F139 HydrophobicContact CB-CE2 4.11Å; W116-F139 HydrophobicContact CD2-CE2 4.47Å; W116-F139 HydrophobicContact CG-CE2 4.1Å; F139-L153 HydrophobicContact CB-CD1 4.21Å; F139-L153 HydrophobicContact CD2-CD1 3.84Å; F139-L153 HydrophobicContact CG-CD1 4.4Å; F139-S154 CarbonylContact C-O 3.52Å; F139-S154 WeakPolarHBondContact CA-O 3.14Å; F139-V155 HydrophobicContact CB-CB 4.49Å; F139-V155 HydrophobicContact CB-CG1 4.37Å; F139-V155 HydrophobicContact CB-CG2 4.09Å; F139-V209 HydrophobicContact CE2-CG1 3.66Å; F139-V209 HydrophobicContact CZ-CG1 3.79Å; F139-R213 HydrophobicContact CZ-CG 4.45Å; F139-L227 HydrophobicContact CB-CD2 3.91Å; F139-L227 HydrophobicContact CD1-CB 3.82Å; F139-L227 HydrophobicContact CD1-CD2 4.34Å; F139-L227 HydrophobicContact CE1-CB 3.95Å; F139-L227 HydrophobicContact CG-CB 4.28Å; F139-L227 HydrophobicContact CG-CD2 4.03Å; F139-F229 WeakPolarHBondContact CD1-O 3.45Å; F139-F229 PolarHBondContact N-O 3.46Å; F139-P230 HydrophobicContact CE1-CB 4.06Å; F139-P230 HydrophobicContact CE2-CB 4.3Å; F139-P230 HydrophobicContact CZ-CB 3.76Å; F139-P230 HydrophobicContact CZ-CG 4.47Å; F139-L231 PolarHBondContact O-N 3.26Å |
| 140 | L | 97.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 158.1 | 168.6 | 64.5 | 83.1 | 0 | 0 | 0 | 110 | W116 H118 I121 A126 L130 R142 S154 L231 | W116-L140 WeakPolarHBondContact O-CA 3.47Å; H118-L140 HydrophobicContact CB-CD1 4.5Å; I121-L140 HydrophobicContact CD1-CD1 3.93Å; I121-L140 HydrophobicContact CD1-CD2 4.21Å; A126-L140 HydrophobicContact CB-CD1 3.95Å; A126-L140 HydrophobicContact CB-CD2 4.2Å; L130-L140 HydrophobicContact CD1-CD2 4.29Å; L130-L140 HydrophobicContact CD1-CG 4.31Å; L130-L140 HydrophobicContact CD2-CD2 4.36Å; L130-L140 HydrophobicContact CG-CD2 3.97Å; L130-L140 HydrophobicContact CG-CG 4.41Å; L140-R142 HydrophobicContact CD1-CB 4.14Å; L140-R142 HydrophobicContact CD1-CG 4.26Å; L140-S154 PolarHBondContact N-O 2.76Å; L140-S154 PolarHBondContact O-N 2.91Å; L140-L231 HydrophobicContact CD2-CD2 4.19Å |
| 141 | V | 96.9 | Very high | 89.4 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 140.5 | 170.8 | -178.9 | 0 | 0 | 0 | 0 | 108.9 | W116 F117 H118 A152 L153 L205 V209 | W116-V141 HydrophobicContact CE3-CB 3.55Å; W116-V141 HydrophobicContact CE3-CG2 3.39Å; W116-V141 HydrophobicContact CH2-CG2 4.49Å; W116-V141 HydrophobicContact CZ3-CB 3.5Å; W116-V141 HydrophobicContact CZ3-CG1 4.1Å; W116-V141 HydrophobicContact CZ3-CG2 3.37Å; W116-V141 PolarHBondContact O-N 2.95Å; F117-V141 CarbonylContact C-O 3.48Å; F117-V141 WeakPolarHBondContact CA-O 3.01Å; F117-V141 HydrophobicContact CD2-CB 4.22Å; F117-V141 HydrophobicContact CD2-CG1 4Å; F117-V141 HydrophobicContact CE2-CG1 4.42Å; H118-V141 PolarHBondContact N-O 2.79Å; V141-A152 WeakPolarHBondContact CA-O 3.44Å; V141-L153 HydrophobicContact CG2-CB 4.48Å; V141-L153 HydrophobicContact CG2-CD1 3.74Å; V141-L205 HydrophobicContact CG1-CD1 4.39Å; V141-V209 HydrophobicContact CG2-CG2 4.06Å |
| 142 | R | 93.8 | Very high | 89.5 | Confident | 20 Ų | 20 | 40.6 Ų | 40.6 | 8% | 0.075 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 163.1 | -179.4 | 61.6 | -173.9 | -178.4 | 78.2 | 0.8 | 110.4 | G119 I121 G123 L140 Y151 A152 S154 | G119-R142 CarbonylContact O-C 3.49Å; G119-R142 WeakPolarHBondContact O-CA 3.24Å; G119-R142 WeakPolarHBondContact O-CB 3.03Å; I121-R142 HydrophobicContact CD1-CB 4.34Å; I121-R142 HydrophobicContact CG1-CB 3.64Å; I121-R142 HydrophobicContact CG1-CG 4.36Å; I121-R142 WeakPolarHBondContact O-CD 3.11Å; I121-R142 PolarHBondContact O-NH1 3.02Å; G123-R142 VanDerWaalsContact CA-NH2 3.33Å; L140-R142 HydrophobicContact CD1-CB 4.14Å; L140-R142 HydrophobicContact CD1-CG 4.26Å; R142-Y151 CarbonylContact O-C 3.57Å; R142-Y151 VanDerWaalsContact O-CA 3.27Å; R142-Y151 WeakPolarHBondContact O-CA 3.24Å; R142-Y151 WeakPolarHBondContact O-CB 3.43Å; R142-A152 HydrophobicContact CG-CB 3.97Å; R142-A152 PolarHBondContact N-O 2.86Å; R142-A152 PolarHBondContact O-N 2.82Å; R142-S154 PolarHBondContact NE-OG 2.84Å; R142-S154 VanDerWaalsContact NE-OG 3.16Å |
| 143 | E | 89.2 | Confident | 89.8 | Confident | 33 Ų | 33 | 34.5 Ų | 34.5 | 15% | 0.154 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 144.4 | 167.6 | -68.2 | 179.4 | -164 | 0 | 0 | 110.6 | F117 G119 Y120 Q145 Y151 | F117-E143 HydrophobicContact CZ-CG 4.1Å; G119-E143 PolarHBondContact O-N 3.47Å; Y120-E143 HydrophobicContact CD2-CB 4.37Å; E143-Q145 PolarHBondContact O-N 2.94Å; E143-Y151 HydrophobicContact CG-CD1 4.31Å; E143-Y151 HydrophobicContact CG-CE1 4.07Å |
| 144 | S | 88 | Confident | 90.2 | Very high | 7 Ų | 7 | 29 Ų | 29 | 5% | 0.049 | 16% | 0.159 | C | C | . | . | trans | -77.7 | 120.2 | 173.3 | -178.2 | 0 | 0 | 0 | 0 | 110.1 | S146 T147 D150 | S144-S146 PolarHBondContact OG-OG 2.82Å; S144-T147 WeakPolarHBondContact CB-O 3.17Å; S144-T147 PolarHBondContact OG-N 2.89Å; S144-T147 VanDerWaalsContact OG-N 3.1Å; S144-D150 VanDerWaalsContact CB-O 3.26Å; S144-D150 WeakPolarHBondContact CB-O 3.5Å; S144-D150 PolarHBondContact N-O 3.43Å | ||
| 145 | Q | 81.4 | Confident | 90.6 | Very high | 62 Ų | 62 | 28.3 Ų | 28.3 | 29% | 0.29 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -76.6 | -28.5 | 174.7 | -72.2 | -173.8 | -27.6 | 0 | 0 | 112.3 | R8 Y120 S122 E143 | R8-Q145 PolarHBondContact NH1-O 3.41Å; Y120-Q145 HydrophobicContact CE2-CG 3.9Å; S122-Q145 VanDerWaalsContact CA-OE1 3.25Å; E143-Q145 PolarHBondContact O-N 2.94Å |
| 146 | S | 78.9 | Confident | 90.7 | Very high | 92 Ų | 92 | 23.2 Ų | 23.2 | 64% | 0.643 | 13% | 0.132 | S | C | * | . | S | Bend | trans | -79.8 | -33.1 | 178.1 | 57.1 | 0 | 0 | 0 | 0 | 112.7 | S144 | S144-S146 PolarHBondContact OG-OG 2.82Š|
| 147 | T | 79.6 | Confident | 90.6 | Very high | 54 Ų | 54 | 20.3 Ų | 20.3 | 33% | 0.331 | 12% | 0.116 | S | C | . | . | S | Bend | trans | -128.6 | 95.5 | -173.3 | -46 | 0 | 0 | 0 | 0 | 110.2 | S144 G149 D150 | S144-T147 WeakPolarHBondContact CB-O 3.17Å; S144-T147 PolarHBondContact OG-N 2.89Å; S144-T147 VanDerWaalsContact OG-N 3.1Å; T147-G149 PolarHBondContact O-N 2.91Å; T147-D150 HydrophobicContact CG2-CB 4.12Å; T147-D150 WeakPolarHBondContact CG2-OD2 3.25Å; T147-D150 PolarHBondContact O-N 3.4Å; T147-D150 VanDerWaalsContact O-N 3.14Å |
| 148 | P | 75.4 | Confident | 90.2 | Very high | 27 Ų | 27 | 25.2 Ų | 25.2 | 18% | 0.175 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 129.3 | -178.1 | -24.8 | 32.8 | 0 | 0 | 0 | 113.2 | F11 L78 D150 | F11-P148 HydrophobicContact CD1-CB 4.46Å; F11-P148 HydrophobicContact CE1-CB 4.34Å; F11-P148 HydrophobicContact CZ-CB 4.44Å; L78-P148 HydrophobicContact CD1-CB 4.45Å; L78-P148 HydrophobicContact CD1-CG 4.27Å; P148-D150 VanDerWaalsContact C-N 3.32Å |
| 149 | G | 79.1 | Confident | 89.7 | Confident | 17 Ų | 17 | 31.9 Ų | 31.9 | 18% | 0.175 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.8 | -20.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | F11 T147 Y151 F168 | F11-G149 VanDerWaalsContact CE1-CA 3.5Å; T147-G149 PolarHBondContact O-N 2.91Å; G149-Y151 VanDerWaalsContact O-CE2 3.3Å; G149-Y151 WeakPolarHBondContact O-CE2 3.39Å; G149-F168 WeakPolarHBondContact O-CB 3.35Å |
| 150 | D | 90.1 | Very high | 89.5 | Confident | 26 Ų | 26 | 37.7 Ų | 37.7 | 14% | 0.139 | 20% | 0.199 | C | C | . | . | trans | -88.3 | 170.4 | 172.8 | -72.5 | -14.6 | 0 | 0 | 0 | 111 | S144 T147 P148 M165 R167 F168 | S144-D150 VanDerWaalsContact CB-O 3.26Å; S144-D150 WeakPolarHBondContact CB-O 3.5Å; S144-D150 PolarHBondContact N-O 3.43Å; T147-D150 HydrophobicContact CG2-CB 4.12Å; T147-D150 WeakPolarHBondContact CG2-OD2 3.25Å; T147-D150 PolarHBondContact O-N 3.4Å; T147-D150 VanDerWaalsContact O-N 3.14Å; P148-D150 VanDerWaalsContact C-N 3.32Å; D150-M165 HydrophobicContact CB-SD 4.13Å; D150-R167 WeakPolarHBondContact OD1-CA 3.36Å; D150-F168 PolarHBondContact OD1-N 3.11Å | ||
| 151 | Y | 94.1 | Very high | 89.3 | Confident | 18 Ų | 18 | 38.6 Ų | 38.6 | 7% | 0.071 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 165.4 | -177 | -58.3 | -87 | 0 | 0 | 0 | 110.1 | P111 F117 R142 E143 G149 V166 F168 Y194 L205 | P111-Y151 HydrophobicContact CG-CE1 3.69Å; P111-Y151 WeakPolarHBondContact CG-OH 3.42Å; F117-Y151 AromaticContact CE2-CD1 3.8Å; F117-Y151 HydrophobicContact CE2-CD1 3.8Å; F117-Y151 AromaticContact CE2-CE1 3.85Å; F117-Y151 HydrophobicContact CE2-CE1 3.85Å; F117-Y151 HydrophobicContact CZ-CD1 4.4Å; F117-Y151 HydrophobicContact CZ-CE1 4.03Å; R142-Y151 CarbonylContact O-C 3.57Å; R142-Y151 VanDerWaalsContact O-CA 3.27Å; R142-Y151 WeakPolarHBondContact O-CA 3.24Å; R142-Y151 WeakPolarHBondContact O-CB 3.43Å; E143-Y151 HydrophobicContact CG-CD1 4.31Å; E143-Y151 HydrophobicContact CG-CE1 4.07Å; G149-Y151 VanDerWaalsContact O-CE2 3.3Å; G149-Y151 WeakPolarHBondContact O-CE2 3.39Å; Y151-V166 PolarHBondContact N-O 2.9Å; Y151-V166 PolarHBondContact O-N 3.15Å; Y151-F168 HydrophobicContact CE2-CB 4.35Å; Y151-Y194 HydrophobicContact CD2-CD1 4.19Å; Y151-Y194 AromaticContact CD2-CE1 3.88Å; Y151-Y194 HydrophobicContact CD2-CE1 3.88Å; Y151-Y194 HydrophobicContact CE2-CD1 4.31Å; Y151-Y194 AromaticContact CE2-CE1 3.56Å; Y151-Y194 HydrophobicContact CE2-CE1 3.56Å; Y151-L205 HydrophobicContact CD1-CD1 4.13Å; Y151-L205 HydrophobicContact CD2-CD1 4.41Å; Y151-L205 HydrophobicContact CD2-CD2 4.26Å; Y151-L205 HydrophobicContact CE1-CD1 4.19Å; Y151-L205 HydrophobicContact CE2-CD1 4.49Å; Y151-L205 HydrophobicContact CG-CD1 4.23Å; Y151-L205 HydrophobicContact CG-CD2 4.33Å |
| 152 | A | 94.7 | Very high | 89.2 | Confident | 4 Ų | 4 | 39.7 Ų | 39.7 | 3% | 0.033 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 131.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | V141 R142 V164 | V141-A152 WeakPolarHBondContact CA-O 3.44Å; R142-A152 HydrophobicContact CG-CB 3.97Å; R142-A152 PolarHBondContact N-O 2.86Å; R142-A152 PolarHBondContact O-N 2.82Å; A152-V164 CarbonylContact C-O 3.46Å; A152-V164 WeakPolarHBondContact CA-O 3.24Å |
| 153 | L | 96 | Very high | 89.1 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 108.4 | 170.7 | 171.8 | 62.3 | 0 | 0 | 0 | 108 | F139 V141 V155 V164 V166 M217 L227 | F139-L153 HydrophobicContact CB-CD1 4.21Å; F139-L153 HydrophobicContact CD2-CD1 3.84Å; F139-L153 HydrophobicContact CG-CD1 4.4Å; V141-L153 HydrophobicContact CG2-CB 4.48Å; V141-L153 HydrophobicContact CG2-CD1 3.74Å; L153-V155 HydrophobicContact CD1-CG2 4.26Å; L153-V155 HydrophobicContact CG-CG2 3.95Å; L153-V164 HydrophobicContact CB-CB 4.28Å; L153-V164 PolarHBondContact N-O 2.91Å; L153-V164 PolarHBondContact O-N 3.27Å; L153-V166 HydrophobicContact CB-CG2 3.91Å; L153-M217 HydrophobicContact CD2-CE 3.54Å; L153-L227 HydrophobicContact CD1-CD1 4.38Å; L153-L227 HydrophobicContact CD1-CD2 4.08Å; L153-L227 HydrophobicContact CD2-CD1 3.81Å; L153-L227 HydrophobicContact CD2-CD2 3.99Å; L153-L227 HydrophobicContact CD2-CG 4.5Å; L153-L227 HydrophobicContact CG-CD2 4.27Å |
| 154 | S | 97.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 127.3 | -180 | -48.6 | 0 | 0 | 0 | 0 | 109.2 | F139 L140 R142 T162 H163 | F139-S154 CarbonylContact C-O 3.52Å; F139-S154 WeakPolarHBondContact CA-O 3.14Å; L140-S154 PolarHBondContact N-O 2.76Å; L140-S154 PolarHBondContact O-N 2.91Å; R142-S154 PolarHBondContact NE-OG 2.84Å; R142-S154 VanDerWaalsContact NE-OG 3.16Å; S154-T162 CarbonylContact C-O 3.55Å; S154-T162 WeakPolarHBondContact CA-O 3.45Å; S154-H163 WeakPolarHBondContact CB-ND1 3.43Å; S154-H163 PolarHBondContact OG-ND1 3.09Å |
| 155 | V | 96.9 | Very high | 89.6 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 125.6 | -172.8 | -169.5 | 0 | 0 | 0 | 0 | 110.3 | S138 F139 L153 Q157 V161 T162 V225 L227 | S138-V155 WeakPolarHBondContact O-CA 3.49Å; F139-V155 HydrophobicContact CB-CB 4.49Å; F139-V155 HydrophobicContact CB-CG1 4.37Å; F139-V155 HydrophobicContact CB-CG2 4.09Å; L153-V155 HydrophobicContact CD1-CG2 4.26Å; L153-V155 HydrophobicContact CG-CG2 3.95Å; V155-Q157 PolarHBondContact O-N 2.8Å; V155-V161 CarbonylContact O-C 3.56Å; V155-V161 WeakPolarHBondContact O-CA 3.3Å; V155-T162 PolarHBondContact N-O 3.35Å; V155-T162 PolarHBondContact O-N 2.75Å; V155-V225 HydrophobicContact CB-CG1 3.89Å; V155-V225 HydrophobicContact CG1-CG1 3.84Å; V155-V225 HydrophobicContact CG2-CG1 3.78Å; V155-L227 HydrophobicContact CB-CD2 4.41Å; V155-L227 HydrophobicContact CG1-CD2 4.08Å; V155-L227 HydrophobicContact CG2-CD2 3.41Å; V155-L227 VanDerWaalsContact CG2-CD2 3.41Å |
| 156 | R | 95.7 | Very high | 90.2 | Very high | 41 Ų | 41 | 41.9 Ų | 41.9 | 16% | 0.155 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 120.5 | 172.5 | -178.4 | 168.6 | 174.5 | 174 | 4.8 | 110.7 | L130 L131 G134 N136 G137 S138 N158 V161 | L130-R156 HydrophobicContact CB-CB 4.25Å; L130-R156 HydrophobicContact CD2-CB 4.46Å; L130-R156 WeakPolarHBondContact O-CD 3.22Å; L130-R156 PolarHBondContact O-NH1 2.98Å; L131-R156 PolarHBondContact O-NH1 2.81Å; G134-R156 PolarHBondContact O-NH1 3.41Å; N136-R156 PolarHBondContact OD1-O 2.93Å; G137-R156 PolarHBondContact N-O 2.95Å; S138-R156 PolarHBondContact O-N 3.4Å; R156-N158 PolarHBondContact NE-O 2.81Å; R156-V161 HydrophobicContact CB-CG2 4.48Å |
| 157 | Q | 91.1 | Very high | 90.8 | Very high | 16 Ų | 16 | 43 Ų | 43 | 8% | 0.075 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 102.1 | 170.2 | -66.7 | 179.9 | -12.8 | 0 | 0 | 108.8 | N136 V155 N159 R160 T162 E219 V225 | N136-Q157 WeakPolarHBondContact OD1-CA 3.29Å; V155-Q157 PolarHBondContact O-N 2.8Å; Q157-N159 PolarHBondContact O-N 3.42Å; Q157-R160 CarbonylContact C-O 3.5Å; Q157-R160 HydrophobicContact CB-CG 4.19Å; Q157-R160 PolarHBondContact N-O 3.3Å; Q157-R160 WeakPolarHBondContact O-CG 3.43Å; Q157-R160 PolarHBondContact O-N 2.72Å; Q157-R160 VanDerWaalsContact O-O 3.06Å; Q157-R160 VanDerWaalsContact OE1-NE 3.1Å; Q157-T162 PolarHBondContact OE1-OG1 2.7Å; Q157-T162 VanDerWaalsContact OE1-OG1 3.13Å; Q157-E219 PolarHBondContact NE2-OE1 3.32Å; Q157-E219 VanDerWaalsContact NE2-OE1 3.11Å; Q157-E219 PolarHBondContact OE1-OE1 3.32Å; Q157-V225 VanDerWaalsContact NE2-CG2 3.31Å |
| 158 | N | 85.6 | Confident | 91.2 | Very high | 105 Ų | 105 | 41.5 Ų | 41.5 | 56% | 0.561 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | -106.2 | -176.5 | -56.5 | -36.6 | 0 | 0 | 0 | 111.5 | N136 R156 | N136-N158 PolarHBondContact ND2-OD1 2.78Å; N136-N158 PolarHBondContact OD1-N 3.16Å; R156-N158 PolarHBondContact NE-O 2.81Å |
| 159 | N | 85.7 | Confident | 91.7 | Very high | 145 Ų | 145 | 42.8 Ų | 42.8 | 78% | 0.775 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.1 | 9.1 | -178.1 | -67.9 | -11.2 | 0 | 0 | 0 | 113.6 | Q157 | Q157-N159 PolarHBondContact O-N 3.42Š|
| 160 | R | 91.6 | Very high | 91.8 | Very high | 123 Ų | 123 | 43.9 Ų | 43.9 | 46% | 0.464 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 162.8 | 173.5 | 70.1 | 178.6 | -168.6 | -173 | 10.8 | 110.6 | Q157 E219 | Q157-R160 CarbonylContact C-O 3.5Å; Q157-R160 HydrophobicContact CB-CG 4.19Å; Q157-R160 PolarHBondContact N-O 3.3Å; Q157-R160 WeakPolarHBondContact O-CG 3.43Å; Q157-R160 PolarHBondContact O-N 2.72Å; Q157-R160 VanDerWaalsContact O-O 3.06Å; Q157-R160 VanDerWaalsContact OE1-NE 3.1Å; R160-E219 IonicContact NH2-OE1 2.85Å; R160-E219 IonicContact NH2-OE2 3.52Å; R160-E219 PolarHBondContact NH2-OE2 2.98Å |
| 161 | V | 94.6 | Very high | 91.3 | Very high | 19 Ų | 19 | 46.4 Ų | 46.4 | 12% | 0.115 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 126.7 | 173.5 | 172.5 | 0 | 0 | 0 | 0 | 107.9 | E127 L130 L131 V155 R156 | E127-V161 HydrophobicContact CB-CB 4.37Å; E127-V161 HydrophobicContact CB-CG2 4.35Å; E127-V161 HydrophobicContact CG-CB 3.86Å; E127-V161 HydrophobicContact CG-CG1 3.95Å; E127-V161 HydrophobicContact CG-CG2 4.38Å; L130-V161 HydrophobicContact CB-CG2 4.02Å; L130-V161 HydrophobicContact CD1-CG1 3.7Å; L130-V161 HydrophobicContact CD1-CG2 4.24Å; L131-V161 HydrophobicContact CD2-CG2 4.24Å; L131-V161 HydrophobicContact CG-CG2 4.07Å; V155-V161 CarbonylContact O-C 3.56Å; V155-V161 WeakPolarHBondContact O-CA 3.3Å; R156-V161 HydrophobicContact CB-CG2 4.48Å |
| 162 | T | 93.3 | Very high | 90.5 | Very high | 23 Ų | 23 | 52.6 Ų | 52.6 | 14% | 0.141 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 133.3 | 174.3 | -60.8 | 0 | 0 | 0 | 0 | 108.2 | S154 V155 Q157 V164 E219 | S154-T162 CarbonylContact C-O 3.55Å; S154-T162 WeakPolarHBondContact CA-O 3.45Å; V155-T162 PolarHBondContact N-O 3.35Å; V155-T162 PolarHBondContact O-N 2.75Å; Q157-T162 PolarHBondContact OE1-OG1 2.7Å; Q157-T162 VanDerWaalsContact OE1-OG1 3.13Å; T162-V164 HydrophobicContact CG2-CG2 4.27Å; T162-E219 VanDerWaalsContact CG2-OE1 3.3Å; T162-E219 WeakPolarHBondContact CG2-OE1 3.48Å; T162-E219 PolarHBondContact OG1-OE1 3.14Å |
| 163 | H | 93.6 | Very high | 89.6 | Confident | 68 Ų | 68 | 54.7 Ų | 54.7 | 32% | 0.315 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 120 | 172.5 | -58.8 | -70.8 | 0 | 0 | 0 | 109.9 | E127 S154 | E127-H163 WeakPolarHBondContact CG-NE2 3.38Å; E127-H163 IonicContact OE1-CD2 3.39Å; E127-H163 IonicContact OE1-NE2 3.44Å; E127-H163 PolarHBondContact OE1-NE2 3.41Å; S154-H163 WeakPolarHBondContact CB-ND1 3.43Å; S154-H163 PolarHBondContact OG-ND1 3.09Å |
| 164 | V | 92.9 | Very high | 88.7 | Confident | 28 Ų | 28 | 58.5 Ų | 58.5 | 17% | 0.17 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 124 | 175.5 | -177.9 | 0 | 0 | 0 | 0 | 108.6 | A152 L153 T162 V166 V196 M217 | A152-V164 CarbonylContact C-O 3.46Å; A152-V164 WeakPolarHBondContact CA-O 3.24Å; L153-V164 HydrophobicContact CB-CB 4.28Å; L153-V164 PolarHBondContact N-O 2.91Å; L153-V164 PolarHBondContact O-N 3.27Å; T162-V164 HydrophobicContact CG2-CG2 4.27Å; V164-V166 PolarHBondContact O-N 2.96Å; V164-V196 HydrophobicContact CG1-CB 4.05Å; V164-V196 HydrophobicContact CG1-CG1 3.99Å; V164-M217 HydrophobicContact CG1-SD 3.96Å; V164-M217 HydrophobicContact CG2-CE 4.2Å; V164-M217 HydrophobicContact CG2-SD 4.38Å |
| 165 | M | 93.2 | Very high | 87.7 | Confident | 73 Ų | 73 | 64.5 Ų | 64.5 | 36% | 0.36 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 130.9 | 174.8 | -170.5 | 64.1 | 72.4 | 0 | 0 | 109.8 | D150 R167 | D150-M165 HydrophobicContact CB-SD 4.13Å; M165-R167 HydrophobicContact CG-CG 4.24Å |
| 166 | V | 94.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 102.6 | 173.9 | 176.7 | 0 | 0 | 0 | 0 | 106.9 | Y151 L153 V164 Y194 D195 V196 L205 L208 | Y151-V166 PolarHBondContact N-O 2.9Å; Y151-V166 PolarHBondContact O-N 3.15Å; L153-V166 HydrophobicContact CB-CG2 3.91Å; V164-V166 PolarHBondContact O-N 2.96Å; V166-Y194 HydrophobicContact CG1-CD1 4.28Å; V166-D195 CarbonylContact C-O 3.59Å; V166-D195 WeakPolarHBondContact CA-O 3.43Å; V166-V196 HydrophobicContact CG2-CG1 3.93Å; V166-L205 HydrophobicContact CG1-CD2 3.78Å; V166-L208 HydrophobicContact CG1-CD1 3.69Å; V166-L208 HydrophobicContact CG2-CD2 4.46Å |
| 167 | R | 91.4 | Very high | 85.4 | Confident | 115 Ų | 115 | 70.5 Ų | 70.5 | 43% | 0.434 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 139.5 | -179.6 | -63.5 | -175.9 | -61.3 | -172.1 | 0.9 | 110.3 | D150 M165 V169 Y194 D195 | D150-R167 WeakPolarHBondContact OD1-CA 3.36Å; M165-R167 HydrophobicContact CG-CG 4.24Å; R167-V169 HydrophobicContact CB-CG2 4.21Å; R167-Y194 WeakPolarHBondContact O-CA 3.29Å; R167-D195 IonicContact CZ-OD1 3.41Å; R167-D195 VanDerWaalsContact CZ-OD1 3.32Å; R167-D195 PolarHBondContact N-O 3.41Å; R167-D195 IonicContact NE-OD1 3.7Å; R167-D195 PolarHBondContact NE-OD1 3.33Å; R167-D195 IonicContact NE-OD2 2.72Å; R167-D195 IonicContact NH2-OD1 3.08Å; R167-D195 PolarHBondContact NH2-OD1 3.26Å; R167-D195 PolarHBondContact O-N 2.96Å |
| 168 | F | 88.4 | Confident | 84.2 | Confident | 22 Ų | 22 | 77.6 Ų | 77.6 | 10% | 0.096 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 107.3 | 170.9 | -178.7 | -99.7 | 0 | 0 | 0 | 110.3 | P13 C14 G149 D150 Y151 V170 R193 Y194 | P13-F168 HydrophobicContact CB-CD1 3.75Å; P13-F168 HydrophobicContact CB-CE1 3.98Å; P13-F168 HydrophobicContact CG-CD1 4.26Å; P13-F168 HydrophobicContact CG-CE1 4.28Å; C14-F168 HydrophobicContact CB-CE1 4.43Å; C14-F168 WeakPolarHBondContact SG-CE1 3.36Å; C14-F168 WeakPolarHBondContact SG-CZ 3.27Å; G149-F168 WeakPolarHBondContact O-CB 3.35Å; D150-F168 PolarHBondContact OD1-N 3.11Å; Y151-F168 HydrophobicContact CE2-CB 4.35Å; F168-V170 HydrophobicContact CE1-CG2 3.88Å; F168-R193 CarbonylContact C-O 3.59Å; F168-R193 WeakPolarHBondContact CA-O 3.31Å; F168-R193 WeakPolarHBondContact CD2-O 3.18Å; F168-Y194 HydrophobicContact CB-CD1 4.43Å; F168-Y194 HydrophobicContact CB-CE1 4.39Å; F168-Y194 AromaticContact CD2-CD1 3.69Å; F168-Y194 HydrophobicContact CD2-CD1 3.69Å; F168-Y194 HydrophobicContact CD2-CD2 4.32Å; F168-Y194 AromaticContact CD2-CE1 3.33Å; F168-Y194 HydrophobicContact CD2-CE1 3.33Å; F168-Y194 AromaticContact CD2-CE2 3.99Å; F168-Y194 HydrophobicContact CD2-CE2 3.99Å; F168-Y194 HydrophobicContact CD2-CG 4.18Å; F168-Y194 AromaticContact CD2-CZ 3.49Å; F168-Y194 VanDerWaalsContact CD2-CZ 3.49Å; F168-Y194 HydrophobicContact CE2-CD2 4.48Å; F168-Y194 AromaticContact CE2-CE1 3.99Å; F168-Y194 HydrophobicContact CE2-CE1 3.99Å; F168-Y194 AromaticContact CE2-CE2 3.9Å; F168-Y194 HydrophobicContact CE2-CE2 3.9Å; F168-Y194 AromaticContact CE2-CZ 3.62Å; F168-Y194 HydrophobicContact CG-CE1 4.22Å |
| 169 | V | 85.4 | Confident | 83 | Confident | 55 Ų | 55 | 74.9 Ų | 74.9 | 33% | 0.333 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 125.4 | -173.9 | -176.9 | 0 | 0 | 0 | 0 | 110.4 | R167 K171 R193 D195 | R167-V169 HydrophobicContact CB-CG2 4.21Å; V169-K171 HydrophobicContact CG1-CG 4.31Å; V169-K171 PolarHBondContact O-N 3.18Å; V169-R193 PolarHBondContact N-O 3.01Å; V169-R193 PolarHBondContact O-N 2.89Å; V169-D195 VanDerWaalsContact CG2-OD2 3.24Å; V169-D195 WeakPolarHBondContact CG2-OD2 3.31Å |
| 170 | V | 81.3 | Confident | 82 | Confident | 40 Ų | 40 | 73.6 Ų | 73.6 | 24% | 0.242 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 106.4 | 174.1 | -179.6 | 0 | 0 | 0 | 0 | 109.4 | F168 Q190 | F168-V170 HydrophobicContact CE1-CG2 3.88Å; V170-Q190 HydrophobicContact CG1-CB 3.95Å; V170-Q190 HydrophobicContact CG1-CG 4.44Å |
| 171 | K | 80.2 | Confident | 80.9 | Confident | 79 Ų | 79 | 77.4 Ų | 77.4 | 34% | 0.343 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 131.7 | 177.2 | -65.7 | -166.4 | -177.6 | -176.9 | 0 | 111.4 | V169 Q190 N191 R193 D201 | V169-K171 HydrophobicContact CG1-CG 4.31Å; V169-K171 PolarHBondContact O-N 3.18Å; K171-Q190 WeakPolarHBondContact O-CA 3.49Å; K171-N191 PolarHBondContact N-O 3.32Å; K171-N191 PolarHBondContact O-N 3.15Å; K171-N191 VanDerWaalsContact O-N 3.1Å; K171-R193 HydrophobicContact CB-CG 4.3Å; K171-R193 HydrophobicContact CD-CG 4.1Å; K171-R193 HydrophobicContact CG-CG 4.08Å; K171-D201 VanDerWaalsContact NZ-CG 3.32Å; K171-D201 IonicContact NZ-OD1 2.64Å; K171-D201 IonicContact NZ-OD2 3.5Å; K171-D201 PolarHBondContact NZ-OD2 2.75Å |
| 172 | K | 76.9 | Confident | 79.4 | Confident | 147 Ų | 147 | 79.9 Ų | 79.9 | 64% | 0.639 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 118.9 | 167.3 | -76.8 | 177 | -178.3 | 175 | 0 | 109.1 | W188 Q190 | K172-W188 HydrophobicContact CB-CE3 4.14Å; K172-W188 HydrophobicContact CB-CZ3 4.44Å; K172-Q190 HydrophobicContact CG-CG 3.78Å |
| 173 | T | 76.2 | Confident | 78.2 | Confident | 48 Ų | 48 | 86.9 Ų | 86.9 | 29% | 0.294 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 127.7 | 178.8 | -49.3 | 0 | 0 | 0 | 0 | 109.9 | R175 T189 | T173-R175 PolarHBondContact O-N 2.98Å; T173-T189 PolarHBondContact N-O 2.9Å; T173-T189 PolarHBondContact O-N 2.84Å; T173-T189 PolarHBondContact O-OG1 3.34Å; T173-T189 VanDerWaalsContact O-OG1 3.11Å |
| 174 | L | 77.9 | Confident | 76.8 | Confident | 80 Ų | 80 | 89.2 Ų | 89.2 | 42% | 0.419 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 117.2 | 172.3 | -165.9 | 70.5 | 0 | 0 | 0 | 109.3 | F186 W188 | L174-F186 HydrophobicContact CD1-CB 3.62Å; L174-F186 HydrophobicContact CD1-CG 4.45Å; L174-F186 HydrophobicContact CD2-CB 4.02Å; L174-F186 HydrophobicContact CD2-CD1 3.92Å; L174-F186 HydrophobicContact CD2-CG 3.99Å; L174-F186 HydrophobicContact CG-CB 3.72Å; L174-F186 HydrophobicContact CG-CD1 3.88Å; L174-F186 HydrophobicContact CG-CG 4.06Å; L174-W188 HydrophobicContact CB-CD2 4.47Å; L174-W188 HydrophobicContact CB-CE3 4.09Å; L174-W188 HydrophobicContact CB-CH2 4.23Å; L174-W188 HydrophobicContact CB-CZ3 3.97Å; L174-W188 HydrophobicContact CD1-CD2 3.75Å; L174-W188 HydrophobicContact CD1-CE3 4.23Å; L174-W188 HydrophobicContact CD1-CG 4.08Å; L174-W188 HydrophobicContact CD1-CH2 4.45Å; L174-W188 HydrophobicContact CD1-CZ2 3.99Å |
| 175 | R | 74.8 | Confident | 75.7 | Confident | 127 Ų | 127 | 91 Ų | 91 | 48% | 0.479 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 134.9 | 173.6 | -78.1 | -164.9 | -164.9 | -136 | 6.1 | 110.8 | T173 F186 I187 T189 N191 | T173-R175 PolarHBondContact O-N 2.98Å; R175-F186 CarbonylContact O-C 3.56Å; R175-F186 VanDerWaalsContact O-CA 3.3Å; R175-F186 WeakPolarHBondContact O-CA 3.31Å; R175-I187 PolarHBondContact N-O 2.92Å; R175-I187 PolarHBondContact O-N 3.43Å; R175-T189 HydrophobicContact CB-CG2 4.07Å; R175-T189 HydrophobicContact CG-CG2 4.05Å; R175-N191 PolarHBondContact NH2-ND2 3.12Å |
| 176 | L | 77.4 | Confident | 74.7 | Confident | 90 Ų | 90 | 92.3 Ų | 92.3 | 47% | 0.471 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 124.3 | 165.6 | -173.5 | 76.3 | 0 | 0 | 0 | 108.8 | L178 P185 F186 | L176-L178 HydrophobicContact CD2-CD2 3.94Å; L176-L178 HydrophobicContact CD2-CG 4.15Å; L176-L178 HydrophobicContact CG-CD2 4.48Å; L176-P185 CarbonylContact C-O 3.56Å; L176-P185 VanDerWaalsContact CA-O 3.32Å; L176-P185 WeakPolarHBondContact CA-O 3.21Å; L176-P185 HydrophobicContact CD1-CB 3.71Å; L176-P185 WeakPolarHBondContact CD1-O 3.47Å; L176-F186 HydrophobicContact CB-CD1 3.95Å; L176-F186 HydrophobicContact CB-CE1 3.73Å; L176-F186 HydrophobicContact CD1-CD1 3.98Å; L176-F186 HydrophobicContact CD1-CD2 4.34Å; L176-F186 HydrophobicContact CD1-CE1 3.59Å; L176-F186 HydrophobicContact CD1-CE2 3.95Å; L176-F186 HydrophobicContact CD1-CG 4.34Å; L176-F186 HydrophobicContact CD1-CZ 3.56Å; L176-F186 HydrophobicContact CG-CE1 4.24Å |
| 177 | I | 68.6 | Low | 73.7 | Confident | 78 Ų | 78 | 96 Ų | 96 | 40% | 0.4 | 50% | 0.496 | S | S | . | . | trans | -103.8 | 107.7 | 167.9 | -57.2 | -170.5 | 0 | 0 | 0 | 107.5 | S179 P185 I187 | I177-S179 PolarHBondContact O-N 3.46Å; I177-P185 PolarHBondContact N-O 2.88Å; I177-I187 HydrophobicContact CD1-CB 4.18Å; I177-I187 HydrophobicContact CD1-CD1 3.45Å; I177-I187 VanDerWaalsContact CD1-CD1 3.45Å; I177-I187 HydrophobicContact CD1-CG1 3.84Å; I177-I187 HydrophobicContact CG1-CD1 4.38Å; I177-I187 HydrophobicContact CG1-CG1 4.29Å | ||
| 178 | L | 64.8 | Low | 72.5 | Confident | 164 Ų | 164 | 98.7 Ų | 98.7 | 86% | 0.859 | 51% | 0.506 | S | S | * | . | trans | -73.2 | 82.5 | 167.8 | -66.9 | 171.5 | 0 | 0 | 0 | 108.4 | L176 | L176-L178 HydrophobicContact CD2-CD2 3.94Å; L176-L178 HydrophobicContact CD2-CG 4.15Å; L176-L178 HydrophobicContact CG-CD2 4.48Å | ||
| 179 | S | 61.6 | Low | 71.5 | Confident | 49 Ų | 49 | 99.2 Ų | 99.2 | 34% | 0.343 | 51% | 0.511 | S | S | . | . | trans | -121.9 | 128 | 164.2 | 89.7 | 0 | 0 | 0 | 0 | 108.9 | I177 K181 V182 | I177-S179 PolarHBondContact O-N 3.46Å; S179-K181 PolarHBondContact O-N 3.39Å; S179-V182 PolarHBondContact O-N 2.84Å; S179-V182 WeakPolarHBondContact OG-CB 3.47Å; S179-V182 WeakPolarHBondContact OG-CG2 3.09Å | ||
| 180 | A | 64.4 | Low | 70.6 | Confident | 118 Ų | 118 | 100.7 Ų | 100.7 | 98% | 0.975 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -0.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 181 | K | 67.4 | Low | 70.4 | Confident | 202 Ų | 202 | 101.2 Ų | 101.2 | 88% | 0.878 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.3 | -0.6 | -174.1 | -71.7 | -173 | 176.2 | -179.2 | 0 | 114.7 | S179 | S179-K181 PolarHBondContact O-N 3.39Š|
| 182 | V | 62.8 | Low | 70.5 | Confident | 72 Ų | 72 | 98.5 Ų | 98.5 | 44% | 0.436 | 51% | 0.51 | S | S | . | . | trans | -116.3 | 115.7 | -176.5 | -179.9 | 0 | 0 | 0 | 0 | 110.1 | S179 I184 | S179-V182 PolarHBondContact O-N 2.84Å; S179-V182 WeakPolarHBondContact OG-CB 3.47Å; S179-V182 WeakPolarHBondContact OG-CG2 3.09Å; V182-I184 HydrophobicContact CG1-CB 4.32Å; V182-I184 WeakPolarHBondContact CG1-O 3.4Å; V182-I184 PolarHBondContact O-N 2.75Å | ||
| 183 | N | 68.1 | Low | 71.2 | Confident | 169 Ų | 169 | 94 Ų | 94 | 90% | 0.904 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -70 | -6.3 | 178.8 | -78.1 | -22.5 | 0 | 0 | 0 | 114.2 | P185 | N183-P185 WeakPolarHBondContact O-CD 3.38Š|
| 184 | I | 65 | Low | 72 | Confident | 117 Ų | 117 | 92.7 Ų | 92.7 | 60% | 0.6 | 48% | 0.479 | S | S | * | . | trans | -107.2 | 101.8 | 175.3 | -56.9 | 170.4 | 0 | 0 | 0 | 107.9 | V182 F186 | V182-I184 HydrophobicContact CG1-CB 4.32Å; V182-I184 WeakPolarHBondContact CG1-O 3.4Å; V182-I184 PolarHBondContact O-N 2.75Å; I184-F186 WeakPolarHBondContact CG2-O 3.44Å; I184-F186 PolarHBondContact O-N 2.7Å | ||
| 185 | P | 69.8 | Low | 72.7 | Confident | 67 Ų | 67 | 89.5 Ų | 89.5 | 44% | 0.435 | 46% | 0.462 | S | S | . | . | trans | -67.1 | -24 | -172.5 | 20 | -27.6 | 0 | 0 | 0 | 113.2 | L176 I177 N183 | L176-P185 CarbonylContact C-O 3.56Å; L176-P185 VanDerWaalsContact CA-O 3.32Å; L176-P185 WeakPolarHBondContact CA-O 3.21Å; L176-P185 HydrophobicContact CD1-CB 3.71Å; L176-P185 WeakPolarHBondContact CD1-O 3.47Å; I177-P185 PolarHBondContact N-O 2.88Å; N183-P185 WeakPolarHBondContact O-CD 3.38Å | ||
| 186 | F | 73.2 | Confident | 73.5 | Confident | 99 Ų | 99 | 84.9 Ų | 84.9 | 43% | 0.434 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 130.7 | -174.7 | -62.9 | -84.5 | 0 | 0 | 0 | 113.2 | L174 R175 L176 I184 | L174-F186 HydrophobicContact CD1-CB 3.62Å; L174-F186 HydrophobicContact CD1-CG 4.45Å; L174-F186 HydrophobicContact CD2-CB 4.02Å; L174-F186 HydrophobicContact CD2-CD1 3.92Å; L174-F186 HydrophobicContact CD2-CG 3.99Å; L174-F186 HydrophobicContact CG-CB 3.72Å; L174-F186 HydrophobicContact CG-CD1 3.88Å; L174-F186 HydrophobicContact CG-CG 4.06Å; R175-F186 CarbonylContact O-C 3.56Å; R175-F186 VanDerWaalsContact O-CA 3.3Å; R175-F186 WeakPolarHBondContact O-CA 3.31Å; L176-F186 HydrophobicContact CB-CD1 3.95Å; L176-F186 HydrophobicContact CB-CE1 3.73Å; L176-F186 HydrophobicContact CD1-CD1 3.98Å; L176-F186 HydrophobicContact CD1-CD2 4.34Å; L176-F186 HydrophobicContact CD1-CE1 3.59Å; L176-F186 HydrophobicContact CD1-CE2 3.95Å; L176-F186 HydrophobicContact CD1-CG 4.34Å; L176-F186 HydrophobicContact CD1-CZ 3.56Å; L176-F186 HydrophobicContact CG-CE1 4.24Å; I184-F186 WeakPolarHBondContact CG2-O 3.44Å; I184-F186 PolarHBondContact O-N 2.7Å |
| 187 | I | 72 | Confident | 73.8 | Confident | 77 Ų | 77 | 82.9 Ų | 82.9 | 40% | 0.395 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 133.7 | 171.9 | -55.4 | -166 | 0 | 0 | 0 | 109.2 | R175 I177 T189 | R175-I187 PolarHBondContact N-O 2.92Å; R175-I187 PolarHBondContact O-N 3.43Å; I177-I187 HydrophobicContact CD1-CB 4.18Å; I177-I187 HydrophobicContact CD1-CD1 3.45Å; I177-I187 VanDerWaalsContact CD1-CD1 3.45Å; I177-I187 HydrophobicContact CD1-CG1 3.84Å; I177-I187 HydrophobicContact CG1-CD1 4.38Å; I177-I187 HydrophobicContact CG1-CG1 4.29Å; I187-T189 PolarHBondContact O-N 2.83Å |
| 188 | W | 67 | Low | 74.3 | Confident | 173 Ų | 173 | 82 Ų | 82 | 66% | 0.655 | 46% | 0.46 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 116 | 167.8 | -69.7 | 101.2 | 0 | 0 | 0 | 109.8 | K172 L174 | K172-W188 HydrophobicContact CB-CE3 4.14Å; K172-W188 HydrophobicContact CB-CZ3 4.44Å; L174-W188 HydrophobicContact CB-CD2 4.47Å; L174-W188 HydrophobicContact CB-CE3 4.09Å; L174-W188 HydrophobicContact CB-CH2 4.23Å; L174-W188 HydrophobicContact CB-CZ3 3.97Å; L174-W188 HydrophobicContact CD1-CD2 3.75Å; L174-W188 HydrophobicContact CD1-CE3 4.23Å; L174-W188 HydrophobicContact CD1-CG 4.08Å; L174-W188 HydrophobicContact CD1-CH2 4.45Å; L174-W188 HydrophobicContact CD1-CZ2 3.99Å |
| 189 | T | 66.2 | Low | 75.2 | Confident | 33 Ų | 33 | 77.6 Ų | 77.6 | 20% | 0.202 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 138.1 | 172 | 63.7 | 0 | 0 | 0 | 0 | 109.5 | T173 R175 I187 | T173-T189 PolarHBondContact N-O 2.9Å; T173-T189 PolarHBondContact O-N 2.84Å; T173-T189 PolarHBondContact O-OG1 3.34Å; T173-T189 VanDerWaalsContact O-OG1 3.11Å; R175-T189 HydrophobicContact CB-CG2 4.07Å; R175-T189 HydrophobicContact CG-CG2 4.05Å; I187-T189 PolarHBondContact O-N 2.83Å |
| 190 | Q | 67.7 | Low | 76.6 | Confident | 85 Ų | 85 | 79.1 Ų | 79.1 | 40% | 0.397 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 118.4 | 174 | -71.4 | -179 | 17.7 | 0 | 0 | 108.4 | V170 K171 K172 | V170-Q190 HydrophobicContact CG1-CB 3.95Å; V170-Q190 HydrophobicContact CG1-CG 4.44Å; K171-Q190 WeakPolarHBondContact O-CA 3.49Å; K172-Q190 HydrophobicContact CG-CG 3.78Å |
| 191 | N | 76.2 | Confident | 77.9 | Confident | 51 Ų | 51 | 75.4 Ų | 75.4 | 27% | 0.273 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 132.1 | 177.7 | -59.5 | -42.6 | 0 | 0 | 0 | 108.8 | K171 R175 | K171-N191 PolarHBondContact N-O 3.32Å; K171-N191 PolarHBondContact O-N 3.15Å; K171-N191 VanDerWaalsContact O-N 3.1Å; R175-N191 PolarHBondContact NH2-ND2 3.12Å |
| 192 | G | 83.2 | Confident | 79.1 | Confident | 22 Ų | 22 | 67 Ų | 67 | 23% | 0.227 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 137.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 193 | R | 90.4 | Very high | 80.5 | Confident | 53 Ų | 53 | 71.1 Ų | 71.1 | 20% | 0.2 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 149.6 | 174 | -58.6 | -68.4 | -163 | 124.5 | 0.4 | 109.5 | F168 V169 K171 D201 F202 | F168-R193 CarbonylContact C-O 3.59Å; F168-R193 WeakPolarHBondContact CA-O 3.31Å; F168-R193 WeakPolarHBondContact CD2-O 3.18Å; V169-R193 PolarHBondContact N-O 3.01Å; V169-R193 PolarHBondContact O-N 2.89Å; K171-R193 HydrophobicContact CB-CG 4.3Å; K171-R193 HydrophobicContact CD-CG 4.1Å; K171-R193 HydrophobicContact CG-CG 4.08Å; R193-D201 HydrophobicContact CB-CB 4.1Å; R193-D201 WeakPolarHBondContact CB-OD1 3.26Å; R193-D201 WeakPolarHBondContact CD-OD1 3.33Å; R193-D201 WeakPolarHBondContact CG-OD1 3.43Å; R193-D201 IonicContact CZ-OD1 3.73Å; R193-D201 VanDerWaalsContact CZ-OD1 3.24Å; R193-D201 IonicContact NE-OD1 3.24Å; R193-D201 PolarHBondContact NE-OD1 2.82Å; R193-D201 IonicContact NH1-OD1 2.73Å; R193-D201 PolarHBondContact NH1-OD1 3.4Å; R193-F202 CarbonylContact C-O 3.55Å; R193-F202 WeakPolarHBondContact CA-O 3.36Å |
| 194 | Y | 93.4 | Very high | 81.6 | Confident | 20 Ų | 20 | 65.7 Ų | 65.7 | 8% | 0.078 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 131.7 | 177.2 | -59.9 | -89.8 | 0 | 0 | 0 | 109.5 | Y151 V166 R167 F168 D201 F202 R203 L205 | Y151-Y194 HydrophobicContact CD2-CD1 4.19Å; Y151-Y194 AromaticContact CD2-CE1 3.88Å; Y151-Y194 HydrophobicContact CD2-CE1 3.88Å; Y151-Y194 HydrophobicContact CE2-CD1 4.31Å; Y151-Y194 AromaticContact CE2-CE1 3.56Å; Y151-Y194 HydrophobicContact CE2-CE1 3.56Å; V166-Y194 HydrophobicContact CG1-CD1 4.28Å; R167-Y194 WeakPolarHBondContact O-CA 3.29Å; F168-Y194 HydrophobicContact CB-CD1 4.43Å; F168-Y194 HydrophobicContact CB-CE1 4.39Å; F168-Y194 AromaticContact CD2-CD1 3.69Å; F168-Y194 HydrophobicContact CD2-CD1 3.69Å; F168-Y194 HydrophobicContact CD2-CD2 4.32Å; F168-Y194 AromaticContact CD2-CE1 3.33Å; F168-Y194 HydrophobicContact CD2-CE1 3.33Å; F168-Y194 AromaticContact CD2-CE2 3.99Å; F168-Y194 HydrophobicContact CD2-CE2 3.99Å; F168-Y194 HydrophobicContact CD2-CG 4.18Å; F168-Y194 AromaticContact CD2-CZ 3.49Å; F168-Y194 VanDerWaalsContact CD2-CZ 3.49Å; F168-Y194 HydrophobicContact CE2-CD2 4.48Å; F168-Y194 AromaticContact CE2-CE1 3.99Å; F168-Y194 HydrophobicContact CE2-CE1 3.99Å; F168-Y194 AromaticContact CE2-CE2 3.9Å; F168-Y194 HydrophobicContact CE2-CE2 3.9Å; F168-Y194 AromaticContact CE2-CZ 3.62Å; F168-Y194 HydrophobicContact CG-CE1 4.22Å; Y194-D201 CarbonylContact O-C 3.58Å; Y194-D201 WeakPolarHBondContact O-CA 3.24Å; Y194-F202 PolarHBondContact N-O 3.45Å; Y194-F202 PolarHBondContact O-N 2.76Å; Y194-R203 WeakPolarHBondContact CE2-O 3.47Å; Y194-L205 HydrophobicContact CD1-CD2 3.27Å; Y194-L205 HydrophobicContact CD1-CG 3.71Å; Y194-L205 HydrophobicContact CE1-CD1 4.15Å; Y194-L205 HydrophobicContact CE1-CD2 3.57Å; Y194-L205 HydrophobicContact CE1-CG 3.51Å; Y194-L205 HydrophobicContact CE2-CG 4.4Å; Y194-L205 HydrophobicContact CG-CD2 3.86Å; Y194-L205 HydrophobicContact CG-CG 4.21Å |
| 195 | D | 92.9 | Very high | 82.9 | Confident | 13 Ų | 13 | 60.1 Ų | 60.1 | 7% | 0.07 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 156.5 | 177.1 | 78 | 85.4 | 0 | 0 | 0 | 112.2 | V166 R167 V169 G197 D200 D201 | V166-D195 CarbonylContact C-O 3.59Å; V166-D195 WeakPolarHBondContact CA-O 3.43Å; R167-D195 IonicContact CZ-OD1 3.41Å; R167-D195 VanDerWaalsContact CZ-OD1 3.32Å; R167-D195 PolarHBondContact N-O 3.41Å; R167-D195 IonicContact NE-OD1 3.7Å; R167-D195 PolarHBondContact NE-OD1 3.33Å; R167-D195 IonicContact NE-OD2 2.72Å; R167-D195 IonicContact NH2-OD1 3.08Å; R167-D195 PolarHBondContact NH2-OD1 3.26Å; R167-D195 PolarHBondContact O-N 2.96Å; V169-D195 VanDerWaalsContact CG2-OD2 3.24Å; V169-D195 WeakPolarHBondContact CG2-OD2 3.31Å; D195-G197 PolarHBondContact OD1-N 3.17Å; D195-D200 WeakPolarHBondContact CB-O 3.33Å; D195-D201 HydrophobicContact CB-CB 4.29Å |
| 196 | V | 90.8 | Very high | 84.1 | Confident | 30 Ų | 30 | 58.2 Ų | 58.2 | 18% | 0.182 | 33% | 0.326 | C | S | . | . | trans | -109.8 | 13.5 | 173.3 | -60.2 | 0 | 0 | 0 | 0 | 112.1 | V164 V166 L208 Y212 M217 | V164-V196 HydrophobicContact CG1-CB 4.05Å; V164-V196 HydrophobicContact CG1-CG1 3.99Å; V166-V196 HydrophobicContact CG2-CG1 3.93Å; V196-L208 HydrophobicContact CG1-CD1 4.26Å; V196-L208 HydrophobicContact CG1-CD2 4.44Å; V196-Y212 HydrophobicContact CG1-CE2 4.16Å; V196-Y212 HydrophobicContact CG2-CE1 4.26Å; V196-Y212 HydrophobicContact CG2-CE2 3.63Å; V196-Y212 WeakPolarHBondContact CG2-OH 3.41Å; V196-M217 HydrophobicContact CG1-SD 4.39Å; V196-M217 HydrophobicContact CG2-SD 4.19Å | ||
| 197 | G | 85.2 | Confident | 85.1 | Confident | 49 Ų | 49 | 57.3 Ų | 57.3 | 51% | 0.505 | 32% | 0.323 | S | S | . | . | S | Bend | trans | 86.5 | 4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 117 | D195 | D195-G197 PolarHBondContact OD1-N 3.17Š|
| 198 | G | 79.2 | Confident | 86.3 | Confident | 60 Ų | 60 | 53.7 Ų | 53.7 | 62% | 0.619 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -87.8 | 3.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 199 | G | 83 | Confident | 87.6 | Confident | 70 Ų | 70 | 45.5 Ų | 45.5 | 72% | 0.722 | 27% | 0.274 | S | S | * | . | S | Bend | trans | 99.7 | -33.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 200 | D | 90.5 | Very high | 88.9 | Confident | 81 Ų | 81 | 47.7 Ų | 47.7 | 43% | 0.433 | 28% | 0.284 | S | S | . | . | trans | -77 | 141.9 | 173.5 | -65.1 | -42.8 | 0 | 0 | 0 | 112.2 | D195 F202 H211 | D195-D200 WeakPolarHBondContact CB-O 3.33Å; D200-F202 HydrophobicContact CB-CE2 3.99Å; D200-F202 HydrophobicContact CB-CZ 3.88Å; D200-H211 IonicContact OD2-CE1 3.99Å | ||
| 201 | D | 91.8 | Very high | 90.2 | Very high | 41 Ų | 41 | 46.3 Ų | 46.3 | 22% | 0.219 | 28% | 0.277 | C | S | . | . | trans | -136 | 144.8 | 173.8 | 76.7 | 87.6 | 0 | 0 | 0 | 112.2 | K171 R193 Y194 D195 | K171-D201 VanDerWaalsContact NZ-CG 3.32Å; K171-D201 IonicContact NZ-OD1 2.64Å; K171-D201 IonicContact NZ-OD2 3.5Å; K171-D201 PolarHBondContact NZ-OD2 2.75Å; R193-D201 HydrophobicContact CB-CB 4.1Å; R193-D201 WeakPolarHBondContact CB-OD1 3.26Å; R193-D201 WeakPolarHBondContact CD-OD1 3.33Å; R193-D201 WeakPolarHBondContact CG-OD1 3.43Å; R193-D201 IonicContact CZ-OD1 3.73Å; R193-D201 VanDerWaalsContact CZ-OD1 3.24Å; R193-D201 IonicContact NE-OD1 3.24Å; R193-D201 PolarHBondContact NE-OD1 2.82Å; R193-D201 IonicContact NH1-OD1 2.73Å; R193-D201 PolarHBondContact NH1-OD1 3.4Å; Y194-D201 CarbonylContact O-C 3.58Å; Y194-D201 WeakPolarHBondContact O-CA 3.24Å; D195-D201 HydrophobicContact CB-CB 4.29Å | ||
| 202 | F | 93.7 | Very high | 91.1 | Very high | 24 Ų | 24 | 44.5 Ų | 44.5 | 11% | 0.105 | 27% | 0.267 | C | S | . | . | B | Isolated β-bridge | trans | -123.1 | 154.8 | -170.4 | -56.3 | -83.7 | 0 | 0 | 0 | 111.5 | R193 Y194 D200 E207 L208 H211 Y212 | R193-F202 CarbonylContact C-O 3.55Å; R193-F202 WeakPolarHBondContact CA-O 3.36Å; Y194-F202 PolarHBondContact N-O 3.45Å; Y194-F202 PolarHBondContact O-N 2.76Å; D200-F202 HydrophobicContact CB-CE2 3.99Å; D200-F202 HydrophobicContact CB-CZ 3.88Å; F202-E207 HydrophobicContact CB-CB 3.99Å; F202-E207 HydrophobicContact CD1-CB 4.1Å; F202-E207 HydrophobicContact CG-CB 4.42Å; F202-L208 HydrophobicContact CB-CB 3.94Å; F202-L208 HydrophobicContact CD2-CB 3.57Å; F202-L208 HydrophobicContact CD2-CD1 3.9Å; F202-L208 HydrophobicContact CD2-CG 3.7Å; F202-L208 HydrophobicContact CE2-CB 4.29Å; F202-L208 HydrophobicContact CE2-CG 4.11Å; F202-L208 HydrophobicContact CG-CB 3.78Å; F202-L208 HydrophobicContact CG-CG 4.42Å; F202-H211 HydrophobicContact CD1-CB 4.33Å; F202-H211 HydrophobicContact CE1-CB 3.41Å; F202-H211 VanDerWaalsContact CE1-CB 3.41Å; F202-H211 AromaticContact CE1-CD2 3.95Å; F202-H211 AromaticContact CE1-CG 3.56Å; F202-H211 HydrophobicContact CZ-CB 3.54Å; F202-H211 AromaticContact CZ-CD2 3.94Å; F202-H211 AromaticContact CZ-CG 3.35Å; F202-H211 AromaticContact CZ-ND1 3.46Å; F202-H211 WeakPolarHBondContact CZ-ND1 3.4Å; F202-Y212 AromaticContact CE2-CE2 3.83Å; F202-Y212 HydrophobicContact CE2-CE2 3.83Å; F202-Y212 HydrophobicContact CZ-CE2 4.37Å |
| 203 | R | 90.5 | Very high | 91.6 | Very high | 160 Ų | 160 | 48.5 Ų | 48.5 | 60% | 0.604 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -80.7 | -28.8 | -179.8 | -58.7 | 177.9 | -176 | 176.3 | 4.9 | 112.4 | Y194 E207 | Y194-R203 WeakPolarHBondContact CE2-O 3.47Å; R203-E207 WeakPolarHBondContact CB-OE2 3.36Å; R203-E207 PolarHBondContact N-OE2 3.48Å |
| 204 | T | 91.7 | Very high | 91.7 | Very high | 54 Ų | 54 | 54.4 Ų | 54.4 | 33% | 0.331 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -132.8 | 155.5 | -179.5 | 68.3 | 0 | 0 | 0 | 0 | 110.5 | S206 E207 L208 | T204-S206 PolarHBondContact O-N 3.46Å; T204-E207 PolarHBondContact O-N 3.01Å; T204-E207 WeakPolarHBondContact OG1-CG 3.49Å; T204-E207 PolarHBondContact OG1-N 3.29Å; T204-L208 PolarHBondContact O-N 3.48Å |
| 205 | L | 93.5 | Very high | 91.6 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.6 | -31.8 | 170.8 | -70.9 | 172.1 | 0 | 0 | 0 | 111.5 | P111 W116 V141 Y151 V166 Y194 L208 V209 | P111-L205 HydrophobicContact CB-CD1 3.93Å; P111-L205 HydrophobicContact CG-CD1 3.58Å; W116-L205 HydrophobicContact CH2-CB 3.7Å; W116-L205 HydrophobicContact CZ3-CB 4.27Å; V141-L205 HydrophobicContact CG1-CD1 4.39Å; Y151-L205 HydrophobicContact CD1-CD1 4.13Å; Y151-L205 HydrophobicContact CD2-CD1 4.41Å; Y151-L205 HydrophobicContact CD2-CD2 4.26Å; Y151-L205 HydrophobicContact CE1-CD1 4.19Å; Y151-L205 HydrophobicContact CE2-CD1 4.49Å; Y151-L205 HydrophobicContact CG-CD1 4.23Å; Y151-L205 HydrophobicContact CG-CD2 4.33Å; V166-L205 HydrophobicContact CG1-CD2 3.78Å; Y194-L205 HydrophobicContact CD1-CD2 3.27Å; Y194-L205 HydrophobicContact CD1-CG 3.71Å; Y194-L205 HydrophobicContact CE1-CD1 4.15Å; Y194-L205 HydrophobicContact CE1-CD2 3.57Å; Y194-L205 HydrophobicContact CE1-CG 3.51Å; Y194-L205 HydrophobicContact CE2-CG 4.4Å; Y194-L205 HydrophobicContact CG-CD2 3.86Å; Y194-L205 HydrophobicContact CG-CG 4.21Å; L205-L208 PolarHBondContact O-N 2.88Å; L205-V209 WeakPolarHBondContact O-CB 3.34Å; L205-V209 WeakPolarHBondContact O-CG2 3.34Å; L205-V209 PolarHBondContact O-N 3.48Å |
| 206 | S | 93.8 | Very high | 91.4 | Very high | 26 Ų | 26 | 58 Ų | 58 | 18% | 0.182 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.9 | -46.8 | 176.8 | -58.1 | 0 | 0 | 0 | 0 | 112.1 | T112 E114 T204 L208 V209 D210 | T112-S206 PolarHBondContact OG1-OG 3.14Å; E114-S206 WeakPolarHBondContact CG-OG 3.36Å; T204-S206 PolarHBondContact O-N 3.46Å; S206-L208 VanDerWaalsContact C-N 3.31Å; S206-L208 PolarHBondContact O-N 2.71Å; S206-V209 PolarHBondContact O-N 3.4Å; S206-D210 WeakPolarHBondContact O-CB 3.24Å; S206-D210 VanDerWaalsContact O-CG 3.29Å; S206-D210 PolarHBondContact O-N 3.09Å |
| 207 | E | 95.3 | Very high | 91.3 | Very high | 80 Ų | 80 | 57.5 Ų | 57.5 | 37% | 0.374 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.3 | -42.2 | 174.4 | -75.3 | 172.4 | -167.6 | 0 | 0 | 111.8 | F202 R203 T204 D210 H211 | F202-E207 HydrophobicContact CB-CB 3.99Å; F202-E207 HydrophobicContact CD1-CB 4.1Å; F202-E207 HydrophobicContact CG-CB 4.42Å; R203-E207 WeakPolarHBondContact CB-OE2 3.36Å; R203-E207 PolarHBondContact N-OE2 3.48Å; T204-E207 PolarHBondContact O-N 3.01Å; T204-E207 WeakPolarHBondContact OG1-CG 3.49Å; T204-E207 PolarHBondContact OG1-N 3.29Å; E207-D210 PolarHBondContact O-N 3.44Å; E207-H211 WeakPolarHBondContact O-CB 3.22Å; E207-H211 PolarHBondContact O-N 3.09Å |
| 208 | L | 95.5 | Very high | 91.4 | Very high | 2 Ų | 2 | 59.9 Ų | 59.9 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.9 | -49.8 | 176.8 | -177.8 | 153.4 | 0 | 0 | 0 | 111.3 | V166 V196 F202 T204 L205 S206 H211 Y212 | V166-L208 HydrophobicContact CG1-CD1 3.69Å; V166-L208 HydrophobicContact CG2-CD2 4.46Å; V196-L208 HydrophobicContact CG1-CD1 4.26Å; V196-L208 HydrophobicContact CG1-CD2 4.44Å; F202-L208 HydrophobicContact CB-CB 3.94Å; F202-L208 HydrophobicContact CD2-CB 3.57Å; F202-L208 HydrophobicContact CD2-CD1 3.9Å; F202-L208 HydrophobicContact CD2-CG 3.7Å; F202-L208 HydrophobicContact CE2-CB 4.29Å; F202-L208 HydrophobicContact CE2-CG 4.11Å; F202-L208 HydrophobicContact CG-CB 3.78Å; F202-L208 HydrophobicContact CG-CG 4.42Å; T204-L208 PolarHBondContact O-N 3.48Å; L205-L208 PolarHBondContact O-N 2.88Å; S206-L208 VanDerWaalsContact C-N 3.31Å; S206-L208 PolarHBondContact O-N 2.71Å; L208-H211 PolarHBondContact O-N 3.11Å; L208-Y212 HydrophobicContact CD2-CD2 3.8Å; L208-Y212 HydrophobicContact CD2-CE2 4.23Å; L208-Y212 HydrophobicContact CG-CD2 3.94Å; L208-Y212 HydrophobicContact CG-CE2 3.99Å; L208-Y212 WeakPolarHBondContact O-CD2 3.25Å; L208-Y212 PolarHBondContact O-N 3.28Å |
| 209 | V | 95.1 | Very high | 91.5 | Very high | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.006 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.3 | -47.9 | 179.2 | 168.3 | 0 | 0 | 0 | 0 | 110 | W116 F139 V141 L205 S206 H211 Y212 R213 | W116-V209 HydrophobicContact CD2-CG2 4.47Å; W116-V209 HydrophobicContact CE3-CG2 4.27Å; W116-V209 HydrophobicContact CH2-CB 4.44Å; W116-V209 HydrophobicContact CH2-CG2 3.77Å; W116-V209 HydrophobicContact CZ2-CB 4.16Å; W116-V209 HydrophobicContact CZ2-CG1 4.48Å; W116-V209 HydrophobicContact CZ2-CG2 3.94Å; W116-V209 HydrophobicContact CZ3-CG2 3.95Å; F139-V209 HydrophobicContact CE2-CG1 3.66Å; F139-V209 HydrophobicContact CZ-CG1 3.79Å; V141-V209 HydrophobicContact CG2-CG2 4.06Å; L205-V209 WeakPolarHBondContact O-CB 3.34Å; L205-V209 WeakPolarHBondContact O-CG2 3.34Å; L205-V209 PolarHBondContact O-N 3.48Å; S206-V209 PolarHBondContact O-N 3.4Å; V209-H211 VanDerWaalsContact C-N 3.29Å; V209-H211 PolarHBondContact O-N 2.94Å; V209-Y212 CarbonylContact O-C 3.45Å; V209-Y212 PolarHBondContact O-N 3.33Å; V209-Y212 VanDerWaalsContact O-N 3.15Å; V209-R213 HydrophobicContact CG1-CG 4.11Å; V209-R213 WeakPolarHBondContact O-CB 3.42Å; V209-R213 WeakPolarHBondContact O-CG 3.33Å; V209-R213 PolarHBondContact O-N 3.25Å |
| 210 | D | 94.4 | Very high | 91.5 | Very high | 78 Ų | 78 | 63.5 Ų | 63.5 | 42% | 0.417 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.6 | -36.2 | -179.6 | -73.9 | -20.8 | 0 | 0 | 0 | 112.9 | S206 E207 K214 | S206-D210 WeakPolarHBondContact O-CB 3.24Å; S206-D210 VanDerWaalsContact O-CG 3.29Å; S206-D210 PolarHBondContact O-N 3.09Å; E207-D210 PolarHBondContact O-N 3.44Å; D210-K214 WeakPolarHBondContact O-CG 3.42Å; D210-K214 PolarHBondContact O-N 3Å |
| 211 | H | 94.3 | Very high | 91.2 | Very high | 56 Ų | 56 | 63.6 Ų | 63.6 | 26% | 0.259 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.5 | -54.8 | 171.3 | 178.5 | -94.5 | 0 | 0 | 0 | 111.1 | D200 F202 E207 L208 V209 R213 K214 S215 | D200-H211 IonicContact OD2-CE1 3.99Å; F202-H211 HydrophobicContact CD1-CB 4.33Å; F202-H211 HydrophobicContact CE1-CB 3.41Å; F202-H211 VanDerWaalsContact CE1-CB 3.41Å; F202-H211 AromaticContact CE1-CD2 3.95Å; F202-H211 AromaticContact CE1-CG 3.56Å; F202-H211 HydrophobicContact CZ-CB 3.54Å; F202-H211 AromaticContact CZ-CD2 3.94Å; F202-H211 AromaticContact CZ-CG 3.35Å; F202-H211 AromaticContact CZ-ND1 3.46Å; F202-H211 WeakPolarHBondContact CZ-ND1 3.4Å; E207-H211 WeakPolarHBondContact O-CB 3.22Å; E207-H211 PolarHBondContact O-N 3.09Å; L208-H211 PolarHBondContact O-N 3.11Å; V209-H211 VanDerWaalsContact C-N 3.29Å; V209-H211 PolarHBondContact O-N 2.94Å; H211-R213 VanDerWaalsContact C-N 3.25Å; H211-R213 PolarHBondContact O-N 3.49Å; H211-K214 PolarHBondContact O-N 2.93Å; H211-S215 PolarHBondContact O-N 2.9Å |
| 212 | Y | 94.2 | Very high | 90.8 | Very high | 14 Ų | 14 | 64 Ų | 64 | 6% | 0.055 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -73.9 | -12.5 | -176.4 | -71.9 | -62.5 | 0 | 0 | 0 | 114.6 | V196 F202 L208 V209 S215 M217 | V196-Y212 HydrophobicContact CG1-CE2 4.16Å; V196-Y212 HydrophobicContact CG2-CE1 4.26Å; V196-Y212 HydrophobicContact CG2-CE2 3.63Å; V196-Y212 WeakPolarHBondContact CG2-OH 3.41Å; F202-Y212 AromaticContact CE2-CE2 3.83Å; F202-Y212 HydrophobicContact CE2-CE2 3.83Å; F202-Y212 HydrophobicContact CZ-CE2 4.37Å; L208-Y212 HydrophobicContact CD2-CD2 3.8Å; L208-Y212 HydrophobicContact CD2-CE2 4.23Å; L208-Y212 HydrophobicContact CG-CD2 3.94Å; L208-Y212 HydrophobicContact CG-CE2 3.99Å; L208-Y212 WeakPolarHBondContact O-CD2 3.25Å; L208-Y212 PolarHBondContact O-N 3.28Å; V209-Y212 CarbonylContact O-C 3.45Å; V209-Y212 PolarHBondContact O-N 3.33Å; V209-Y212 VanDerWaalsContact O-N 3.15Å; Y212-S215 WeakPolarHBondContact CA-O 3.37Å; Y212-S215 VanDerWaalsContact CD1-O 3.31Å; Y212-S215 WeakPolarHBondContact CD1-O 3.26Å; Y212-M217 HydrophobicContact CD1-CB 4.47Å; Y212-M217 HydrophobicContact CD1-CG 3.19Å; Y212-M217 HydrophobicContact CD1-SD 4.04Å; Y212-M217 HydrophobicContact CD2-SD 4.42Å; Y212-M217 HydrophobicContact CE1-CG 3.4Å; Y212-M217 VanDerWaalsContact CE1-CG 3.4Å; Y212-M217 HydrophobicContact CE1-SD 4.23Å; Y212-M217 HydrophobicContact CG-CE 4.46Å; Y212-M217 HydrophobicContact CG-CG 3.86Å; Y212-M217 HydrophobicContact CG-SD 4.15Å |
| 213 | R | 93.9 | Very high | 90.5 | Very high | 105 Ų | 105 | 65.2 Ų | 65.2 | 40% | 0.396 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -71 | -33.9 | 164.9 | -72.7 | -178.2 | 78.9 | 172 | 4.4 | 112.3 | F139 V209 H211 L227 | F139-R213 HydrophobicContact CZ-CG 4.45Å; V209-R213 HydrophobicContact CG1-CG 4.11Å; V209-R213 WeakPolarHBondContact O-CB 3.42Å; V209-R213 WeakPolarHBondContact O-CG 3.33Å; V209-R213 PolarHBondContact O-N 3.25Å; H211-R213 VanDerWaalsContact C-N 3.25Å; H211-R213 PolarHBondContact O-N 3.49Å; R213-L227 HydrophobicContact CG-CB 3.73Å; R213-L227 HydrophobicContact CG-CD1 4.47Å; R213-L227 WeakPolarHBondContact CG-O 3.25Å |
| 214 | K | 93.5 | Very high | 90.4 | Very high | 177 Ų | 177 | 60.6 Ų | 60.6 | 77% | 0.77 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -90.2 | -36.1 | 179.7 | -65.5 | 172.3 | -174.9 | 172.5 | 0 | 112.4 | D210 H211 | D210-K214 WeakPolarHBondContact O-CG 3.42Å; D210-K214 PolarHBondContact O-N 3Å; H211-K214 PolarHBondContact O-N 2.93Å |
| 215 | S | 91.5 | Very high | 90.3 | Very high | 61 Ų | 61 | 58.1 Ų | 58.1 | 43% | 0.427 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -122.2 | 87.7 | -177.8 | -60.1 | 0 | 0 | 0 | 0 | 109.5 | H211 Y212 | H211-S215 PolarHBondContact O-N 2.9Å; Y212-S215 WeakPolarHBondContact CA-O 3.37Å; Y212-S215 VanDerWaalsContact CD1-O 3.31Å; Y212-S215 WeakPolarHBondContact CD1-O 3.26Å |
| 216 | P | 88 | Confident | 90.2 | Very high | 49 Ų | 49 | 61.8 Ų | 61.8 | 32% | 0.318 | 35% | 0.345 | S | S | . | . | trans | -58.8 | 145.7 | -174.6 | -26 | 35.9 | 0 | 0 | 0 | 113.8 | V224 H226 | P216-V224 HydrophobicContact CB-CG1 3.48Å; P216-V224 VanDerWaalsContact CB-CG1 3.48Å; P216-V224 HydrophobicContact CG-CG1 4.35Å; P216-H226 WeakPolarHBondContact CG-ND1 3.2Å | ||
| 217 | M | 88.7 | Confident | 90.3 | Very high | 19 Ų | 19 | 60.8 Ų | 60.8 | 9% | 0.094 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 157.6 | 174.3 | -60.3 | 169.6 | -76.9 | 0 | 0 | 110.8 | L153 V164 V196 Y212 V224 V225 L227 | L153-M217 HydrophobicContact CD2-CE 3.54Å; V164-M217 HydrophobicContact CG1-SD 3.96Å; V164-M217 HydrophobicContact CG2-CE 4.2Å; V164-M217 HydrophobicContact CG2-SD 4.38Å; V196-M217 HydrophobicContact CG1-SD 4.39Å; V196-M217 HydrophobicContact CG2-SD 4.19Å; Y212-M217 HydrophobicContact CD1-CB 4.47Å; Y212-M217 HydrophobicContact CD1-CG 3.19Å; Y212-M217 HydrophobicContact CD1-SD 4.04Å; Y212-M217 HydrophobicContact CD2-SD 4.42Å; Y212-M217 HydrophobicContact CE1-CG 3.4Å; Y212-M217 VanDerWaalsContact CE1-CG 3.4Å; Y212-M217 HydrophobicContact CE1-SD 4.23Å; Y212-M217 HydrophobicContact CG-CE 4.46Å; Y212-M217 HydrophobicContact CG-CG 3.86Å; Y212-M217 HydrophobicContact CG-SD 4.15Å; M217-V224 CarbonylContact O-C 3.58Å; M217-V224 WeakPolarHBondContact O-CA 3.47Å; M217-V225 HydrophobicContact CB-CB 4.23Å; M217-V225 HydrophobicContact CB-CG2 4.49Å; M217-V225 HydrophobicContact CE-CB 4.39Å; M217-V225 HydrophobicContact CE-CG1 4.09Å; M217-V225 PolarHBondContact N-O 2.99Å; M217-V225 PolarHBondContact O-N 2.76Å; M217-L227 HydrophobicContact CE-CD2 4.36Å |
| 218 | V | 86.9 | Confident | 90.1 | Very high | 98 Ų | 98 | 61.9 Ų | 61.9 | 59% | 0.594 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123 | 124.1 | 175 | -172.8 | 0 | 0 | 0 | 0 | 108.8 | V224 | V218-V224 HydrophobicContact CG2-CG2 4.36Å |
| 219 | E | 82.6 | Confident | 90.1 | Very high | 45 Ų | 45 | 65.1 Ų | 65.1 | 21% | 0.21 | 36% | 0.355 | C | S | . | . | trans | -65.9 | 160.2 | 172.6 | -71.9 | 175.2 | -165.8 | 0 | 0 | 111 | Q157 R160 T162 S221 G222 T223 V225 | Q157-E219 PolarHBondContact NE2-OE1 3.32Å; Q157-E219 VanDerWaalsContact NE2-OE1 3.11Å; Q157-E219 PolarHBondContact OE1-OE1 3.32Å; R160-E219 IonicContact NH2-OE1 2.85Å; R160-E219 IonicContact NH2-OE2 3.52Å; R160-E219 PolarHBondContact NH2-OE2 2.98Å; T162-E219 VanDerWaalsContact CG2-OE1 3.3Å; T162-E219 WeakPolarHBondContact CG2-OE1 3.48Å; T162-E219 PolarHBondContact OG1-OE1 3.14Å; E219-S221 WeakPolarHBondContact CB-OG 3.43Å; E219-S221 PolarHBondContact O-N 2.92Å; E219-S221 PolarHBondContact OE2-OG 3.42Å; E219-S221 VanDerWaalsContact OE2-OG 3.13Å; E219-G222 WeakPolarHBondContact O-CA 3.13Å; E219-G222 PolarHBondContact O-N 3.48Å; E219-T223 PolarHBondContact N-O 3.25Å; E219-V225 HydrophobicContact CG-CG2 3.8Å | ||
| 220 | T | 81.8 | Confident | 90 | Very high | 162 Ų | 162 | 67 Ų | 67 | 99% | 0.994 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -24.2 | 173.4 | -18.3 | 0 | 0 | 0 | 0 | 113 | G222 | T220-G222 PolarHBondContact O-N 2.88Š|
| 221 | S | 84.2 | Confident | 90 | Very high | 82 Ų | 82 | 64.3 Ų | 64.3 | 57% | 0.573 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -10 | 173.6 | 65.9 | 0 | 0 | 0 | 0 | 113.8 | E219 T223 | E219-S221 WeakPolarHBondContact CB-OG 3.43Å; E219-S221 PolarHBondContact O-N 2.92Å; E219-S221 PolarHBondContact OE2-OG 3.42Å; E219-S221 VanDerWaalsContact OE2-OG 3.13Å; S221-T223 VanDerWaalsContact C-N 3.34Å; S221-T223 WeakPolarHBondContact OG-CB 3.21Å; S221-T223 PolarHBondContact OG-N 2.73Å; S221-T223 PolarHBondContact OG-OG1 2.8Å |
| 222 | G | 84.6 | Confident | 89.9 | Confident | 49 Ų | 49 | 63.7 Ų | 63.7 | 51% | 0.505 | 35% | 0.352 | S | S | . | . | S | Bend | trans | 85.8 | -1.4 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | E219 T220 V224 | E219-G222 WeakPolarHBondContact O-CA 3.13Å; E219-G222 PolarHBondContact O-N 3.48Å; T220-G222 PolarHBondContact O-N 2.88Å; G222-V224 PolarHBondContact O-N 2.92Å |
| 223 | T | 86.5 | Confident | 89.7 | Confident | 51 Ų | 51 | 63.6 Ų | 63.6 | 31% | 0.313 | 35% | 0.353 | S | S | . | . | trans | -72.4 | 126.1 | -179.8 | -54.3 | 0 | 0 | 0 | 0 | 111.1 | E219 S221 | E219-T223 PolarHBondContact N-O 3.25Å; S221-T223 VanDerWaalsContact C-N 3.34Å; S221-T223 WeakPolarHBondContact OG-CB 3.21Å; S221-T223 PolarHBondContact OG-N 2.73Å; S221-T223 PolarHBondContact OG-OG1 2.8Å | ||
| 224 | V | 88.6 | Confident | 89.5 | Confident | 63 Ų | 63 | 59 Ų | 59 | 38% | 0.382 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 124.5 | 178 | -172.5 | 0 | 0 | 0 | 0 | 110.9 | P216 M217 V218 G222 H226 | P216-V224 HydrophobicContact CB-CG1 3.48Å; P216-V224 VanDerWaalsContact CB-CG1 3.48Å; P216-V224 HydrophobicContact CG-CG1 4.35Å; M217-V224 CarbonylContact O-C 3.58Å; M217-V224 WeakPolarHBondContact O-CA 3.47Å; V218-V224 HydrophobicContact CG2-CG2 4.36Å; G222-V224 PolarHBondContact O-N 2.92Å; V224-H226 WeakPolarHBondContact CG1-NE2 3.4Å |
| 225 | V | 90.3 | Very high | 89.3 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.012 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 103.4 | 179.2 | -172.7 | 0 | 0 | 0 | 0 | 109.1 | V155 Q157 M217 E219 | V155-V225 HydrophobicContact CB-CG1 3.89Å; V155-V225 HydrophobicContact CG1-CG1 3.84Å; V155-V225 HydrophobicContact CG2-CG1 3.78Å; Q157-V225 VanDerWaalsContact NE2-CG2 3.31Å; M217-V225 HydrophobicContact CB-CB 4.23Å; M217-V225 HydrophobicContact CB-CG2 4.49Å; M217-V225 HydrophobicContact CE-CB 4.39Å; M217-V225 HydrophobicContact CE-CG1 4.09Å; M217-V225 PolarHBondContact N-O 2.99Å; M217-V225 PolarHBondContact O-N 2.76Å; E219-V225 HydrophobicContact CG-CG2 3.8Å |
| 226 | H | 91.6 | Very high | 89.1 | Confident | 77 Ų | 77 | 51.6 Ų | 51.6 | 36% | 0.356 | 30% | 0.297 | S | S | . | . | trans | -94.1 | 123.8 | -180 | -64.5 | -83.2 | 0 | 0 | 0 | 112.8 | P216 V224 K228 | P216-H226 WeakPolarHBondContact CG-ND1 3.2Å; V224-H226 WeakPolarHBondContact CG1-NE2 3.4Å; H226-K228 HydrophobicContact CB-CD 4.27Å; H226-K228 HydrophobicContact CB-CG 3.86Å; H226-K228 PolarHBondContact O-N 2.97Å | ||
| 227 | L | 93.9 | Very high | 88.8 | Confident | 6 Ų | 6 | 49.6 Ų | 49.6 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | trans | -89.7 | 85.1 | 170.2 | -52.5 | -172.9 | 0 | 0 | 0 | 110 | F139 L153 V155 R213 M217 | F139-L227 HydrophobicContact CB-CD2 3.91Å; F139-L227 HydrophobicContact CD1-CB 3.82Å; F139-L227 HydrophobicContact CD1-CD2 4.34Å; F139-L227 HydrophobicContact CE1-CB 3.95Å; F139-L227 HydrophobicContact CG-CB 4.28Å; F139-L227 HydrophobicContact CG-CD2 4.03Å; L153-L227 HydrophobicContact CD1-CD1 4.38Å; L153-L227 HydrophobicContact CD1-CD2 4.08Å; L153-L227 HydrophobicContact CD2-CD1 3.81Å; L153-L227 HydrophobicContact CD2-CD2 3.99Å; L153-L227 HydrophobicContact CD2-CG 4.5Å; L153-L227 HydrophobicContact CG-CD2 4.27Å; V155-L227 HydrophobicContact CB-CD2 4.41Å; V155-L227 HydrophobicContact CG1-CD2 4.08Å; V155-L227 HydrophobicContact CG2-CD2 3.41Å; V155-L227 VanDerWaalsContact CG2-CD2 3.41Å; R213-L227 HydrophobicContact CG-CB 3.73Å; R213-L227 HydrophobicContact CG-CD1 4.47Å; R213-L227 WeakPolarHBondContact CG-O 3.25Å; M217-L227 HydrophobicContact CE-CD2 4.36Å | ||
| 228 | K | 93 | Very high | 88.7 | Confident | 102 Ų | 102 | 48.7 Ų | 48.7 | 44% | 0.443 | 28% | 0.279 | S | S | . | . | trans | -93.5 | -51.9 | -175.1 | -60 | -172.9 | 179.3 | -179.6 | 0 | 112 | G137 H226 | G137-K228 WeakPolarHBondContact O-CA 3.43Å; G137-K228 PolarHBondContact O-N 3.01Å; H226-K228 HydrophobicContact CB-CD 4.27Å; H226-K228 HydrophobicContact CB-CG 3.86Å; H226-K228 PolarHBondContact O-N 2.97Å | ||
| 229 | F | 93.6 | Very high | 88.5 | Confident | 70 Ų | 70 | 47.2 Ų | 47.2 | 31% | 0.307 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 108 | -166.8 | -49.8 | -64 | 0 | 0 | 0 | 111.2 | R135 N136 G137 S138 F139 L231 | R135-F229 HydrophobicContact CG-CD2 3.61Å; R135-F229 HydrophobicContact CG-CE2 4.03Å; R135-F229 HydrophobicContact CG-CG 4.25Å; R135-F229 VanDerWaalsContact NE-CG 3.29Å; N136-F229 WeakPolarHBondContact O-CE2 3.25Å; G137-F229 PolarHBondContact O-N 2.66Å; S138-F229 CarbonylContact C-O 3.57Å; S138-F229 WeakPolarHBondContact CA-O 3.19Å; F139-F229 WeakPolarHBondContact CD1-O 3.45Å; F139-F229 PolarHBondContact N-O 3.46Å; F229-L231 PolarHBondContact O-N 2.85Å |
| 230 | P | 94 | Very high | 88.6 | Confident | 42 Ų | 42 | 46.2 Ų | 46.2 | 27% | 0.273 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 126.8 | 173.8 | 24.5 | -31.3 | 0 | 0 | 0 | 109.7 | W116 F139 N232 | W116-P230 HydrophobicContact CB-CB 3.77Å; W116-P230 HydrophobicContact CG-CB 4.31Å; F139-P230 HydrophobicContact CE1-CB 4.06Å; F139-P230 HydrophobicContact CE2-CB 4.3Å; F139-P230 HydrophobicContact CZ-CB 3.76Å; F139-P230 HydrophobicContact CZ-CG 4.47Å; P230-N232 PolarHBondContact O-N 3.3Å |
| 231 | L | 93.4 | Very high | 89.1 | Confident | 20 Ų | 20 | 38.6 Ų | 38.6 | 11% | 0.105 | 22% | 0.222 | C | C | . | . | trans | -84.9 | 108 | 167.6 | -175.7 | 65.3 | 0 | 0 | 0 | 107.6 | H118 L129 L130 Q133 F139 L140 F229 | H118-L231 PolarHBondContact NE2-O 2.81Å; L129-L231 HydrophobicContact CB-CD2 4.05Å; L130-L231 HydrophobicContact CD2-CB 4.32Å; L130-L231 HydrophobicContact CD2-CD2 4.05Å; L130-L231 HydrophobicContact CG-CD2 4.38Å; Q133-L231 HydrophobicContact CB-CD1 4.08Å; F139-L231 PolarHBondContact O-N 3.26Å; L140-L231 HydrophobicContact CD2-CD2 4.19Å; F229-L231 PolarHBondContact O-N 2.85Å | ||
| 232 | N | 92.4 | Very high | 89.4 | Confident | 44 Ų | 44 | 37.8 Ų | 37.8 | 24% | 0.235 | 21% | 0.211 | C | C | . | . | trans | -81.3 | 135.6 | -174.3 | -69.1 | -28.4 | 0 | 0 | 0 | 111.8 | R115 P230 E260 | R115-N232 HydrophobicContact CB-CB 3.85Å; R115-N232 WeakPolarHBondContact CB-OD1 3.43Å; R115-N232 PolarHBondContact NH1-ND2 3.09Å; R115-N232 CarbonylContact O-C 3.51Å; R115-N232 WeakPolarHBondContact O-CA 3.44Å; P230-N232 PolarHBondContact O-N 3.3Å; N232-E260 PolarHBondContact ND2-OE1 2.83Å | ||
| 233 | T | 91.1 | Very high | 89.6 | Confident | 12 Ų | 12 | 36.1 Ų | 36.1 | 7% | 0.074 | 19% | 0.194 | C | C | . | . | trans | -90 | 141 | 172.9 | -166.7 | 0 | 0 | 0 | 0 | 112.1 | R115 F117 K235 R244 | R115-T233 PolarHBondContact O-N 3.45Å; F117-T233 VanDerWaalsContact O-CG2 3.23Å; F117-T233 WeakPolarHBondContact O-CG2 3.4Å; T233-K235 PolarHBondContact OG1-N 2.79Å; T233-R244 PolarHBondContact O-NH1 3.34Å | ||
| 234 | T | 88.9 | Confident | 89.8 | Confident | 9 Ų | 9 | 34.8 Ų | 34.8 | 6% | 0.055 | 18% | 0.183 | C | C | . | . | trans | -95.6 | -7.3 | 169.7 | 53.3 | 0 | 0 | 0 | 0 | 113.4 | E261 D559 R561 | T234-E261 HydrophobicContact CG2-CG 4.25Å; T234-D559 WeakPolarHBondContact CB-OD1 3.42Å; T234-D559 PolarHBondContact OG1-OD1 3.34Å; T234-D559 PolarHBondContact OG1-OD2 3.43Å; T234-R561 HydrophobicContact CG2-CB 3.79Å; T234-R561 HydrophobicContact CG2-CG 4.23Å; T234-R561 VanDerWaalsContact CG2-NE 3.26Å; T234-R561 PolarHBondContact OG1-NE 3.21Å; T234-R561 VanDerWaalsContact OG1-NE 3.13Å; T234-R561 PolarHBondContact OG1-NH2 2.8Å | ||
| 235 | K | 89.9 | Confident | 90 | Very high | 78 Ų | 78 | 32.6 Ų | 32.6 | 34% | 0.339 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 138.6 | 173.1 | -65.7 | -176.5 | 178.9 | -176.8 | 0 | 110.3 | T233 R244 T557 D559 | T233-K235 PolarHBondContact OG1-N 2.79Å; K235-R244 PolarHBondContact O-NH2 3.02Å; K235-T557 HydrophobicContact CB-CG2 3.78Å; K235-T557 HydrophobicContact CD-CG2 4.24Å; K235-T557 HydrophobicContact CG-CG2 4.13Å; K235-D559 HydrophobicContact CG-CB 4.29Å; K235-D559 PolarHBondContact N-OD2 3.41Å |
| 236 | I | 87.6 | Confident | 90.1 | Very high | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 137.4 | -173.4 | -59.9 | 154.7 | 0 | 0 | 0 | 109.2 | I241 R244 I558 Y585 | I236-I241 HydrophobicContact CG2-CB 4.22Å; I236-I241 HydrophobicContact CG2-CG1 4.35Å; I236-R244 HydrophobicContact CD1-CG 3.83Å; I236-R244 HydrophobicContact CG1-CG 3.95Å; I236-R244 VanDerWaalsContact CG1-CZ 3.47Å; I236-R244 HydrophobicContact CG2-CB 4.46Å; I236-I558 HydrophobicContact CB-CD1 4.5Å; I236-I558 HydrophobicContact CB-CG1 3.93Å; I236-I558 HydrophobicContact CG2-CD1 4.45Å; I236-I558 HydrophobicContact CG2-CG1 4.32Å; I236-I558 PolarHBondContact N-O 2.79Å; I236-I558 WeakPolarHBondContact O-CG1 3.29Å; I236-I558 PolarHBondContact O-N 3.38Å; I236-Y585 HydrophobicContact CD1-CD1 4.35Å; I236-Y585 HydrophobicContact CD1-CE1 3.39Å |
| 237 | N | 82.2 | Confident | 89.9 | Confident | 6 Ų | 6 | 36.9 Ų | 36.9 | 3% | 0.032 | 19% | 0.187 | C | C | . | . | trans | -77.7 | 127.8 | 160.5 | -179.4 | -33 | 0 | 0 | 0 | 108.5 | R9 T239 S240 I241 L554 | R9-N237 PolarHBondContact NH1-ND2 2.78Å; N237-T239 PolarHBondContact ND2-OG1 2.94Å; N237-T239 PolarHBondContact O-N 3.13Å; N237-T239 VanDerWaalsContact O-N 3.12Å; N237-T239 WeakPolarHBondContact OD1-CB 3.32Å; N237-T239 PolarHBondContact OD1-N 2.71Å; N237-T239 PolarHBondContact OD1-OG1 2.97Å; N237-S240 PolarHBondContact O-N 3.37Å; N237-I241 PolarHBondContact O-N 3.44Å; N237-L554 PolarHBondContact OD1-O 3.1Å | ||
| 238 | P | 85.9 | Confident | 89.7 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -43.5 | -45.1 | 173.8 | -31.8 | 36.5 | 0 | 0 | 0 | 113.8 | S240 I241 V549 L554 C556 I558 I592 | P238-S240 PolarHBondContact O-N 2.7Å; P238-I241 WeakPolarHBondContact O-CB 3.46Å; P238-I241 WeakPolarHBondContact O-CG2 3.43Å; P238-I241 PolarHBondContact O-N 3.41Å; P238-I241 VanDerWaalsContact O-N 3.14Å; P238-V549 HydrophobicContact CG-CG2 4.27Å; P238-L554 HydrophobicContact CB-CD2 4.1Å; P238-C556 WeakPolarHBondContact CD-O 3.12Å; P238-I558 HydrophobicContact CG-CG1 4.48Å; P238-I558 HydrophobicContact CG-CG2 4.03Å; P238-I592 HydrophobicContact CB-CD1 3.62Å; P238-I592 HydrophobicContact CB-CG1 4.04Å; P238-I592 HydrophobicContact CB-CG2 4.26Å; P238-I592 HydrophobicContact CG-CD1 4.5Å; P238-I592 WeakPolarHBondContact O-CG2 3.37Å |
| 239 | T | 81.9 | Confident | 89.6 | Confident | 68 Ų | 68 | 36.9 Ų | 36.9 | 42% | 0.417 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -65.3 | -21.8 | -179.7 | 62 | 0 | 0 | 0 | 0 | 114.5 | N237 L554 | N237-T239 PolarHBondContact ND2-OG1 2.94Å; N237-T239 PolarHBondContact O-N 3.13Å; N237-T239 VanDerWaalsContact O-N 3.12Å; N237-T239 WeakPolarHBondContact OD1-CB 3.32Å; N237-T239 PolarHBondContact OD1-N 2.71Å; N237-T239 PolarHBondContact OD1-OG1 2.97Å; T239-L554 HydrophobicContact CG2-CB 4.1Å |
| 240 | S | 86.1 | Confident | 89.1 | Confident | 24 Ų | 24 | 39.3 Ų | 39.3 | 17% | 0.168 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -97.3 | 3.3 | 178.7 | -54.8 | 0 | 0 | 0 | 0 | 112.7 | D110 N237 P238 D242 G243 R244 | D110-S240 PolarHBondContact OD2-OG 2.96Å; N237-S240 PolarHBondContact O-N 3.37Å; P238-S240 PolarHBondContact O-N 2.7Å; S240-D242 VanDerWaalsContact C-N 3.33Å; S240-D242 PolarHBondContact O-N 3.21Å; S240-G243 PolarHBondContact O-N 3.12Å; S240-R244 PolarHBondContact O-N 3.14Å; S240-R244 VanDerWaalsContact O-N 3.09Å |
| 241 | I | 90.8 | Very high | 88 | Confident | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.1 | -35 | -171.6 | -163.3 | 171.7 | 0 | 0 | 0 | 113.2 | I236 N237 P238 G243 R244 V245 I558 V588 H589 I592 | I236-I241 HydrophobicContact CG2-CB 4.22Å; I236-I241 HydrophobicContact CG2-CG1 4.35Å; N237-I241 PolarHBondContact O-N 3.44Å; P238-I241 WeakPolarHBondContact O-CB 3.46Å; P238-I241 WeakPolarHBondContact O-CG2 3.43Å; P238-I241 PolarHBondContact O-N 3.41Å; P238-I241 VanDerWaalsContact O-N 3.14Å; I241-G243 PolarHBondContact O-N 2.8Å; I241-R244 WeakPolarHBondContact O-CB 3.35Å; I241-R244 PolarHBondContact O-N 3.23Å; I241-R244 VanDerWaalsContact O-N 3.16Å; I241-V245 HydrophobicContact CG1-CG2 4.25Å; I241-V245 VanDerWaalsContact O-CG2 3.31Å; I241-V245 WeakPolarHBondContact O-CG2 3.41Å; I241-V245 PolarHBondContact O-N 3.41Å; I241-I558 HydrophobicContact CD1-CD1 4.03Å; I241-V588 HydrophobicContact CD1-CB 4.07Å; I241-V588 HydrophobicContact CD1-CG1 3.59Å; I241-H589 HydrophobicContact CD1-CB 4.14Å; I241-H589 HydrophobicContact CG1-CB 4.33Å; I241-H589 HydrophobicContact CG2-CB 3.99Å; I241-I592 HydrophobicContact CB-CD1 4.33Å; I241-I592 HydrophobicContact CD1-CD1 3.87Å; I241-I592 HydrophobicContact CG2-CB 4.45Å; I241-I592 HydrophobicContact CG2-CD1 3.93Å; I241-I592 HydrophobicContact CG2-CG2 4.33Å |
| 242 | D | 91.2 | Very high | 86.3 | Confident | 64 Ų | 64 | 46.9 Ų | 46.9 | 34% | 0.342 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -58.1 | -48.1 | 176.5 | 174.6 | 64 | 0 | 0 | 0 | 111.3 | S240 R244 V245 K246 H589 | S240-D242 VanDerWaalsContact C-N 3.33Å; S240-D242 PolarHBondContact O-N 3.21Å; D242-R244 VanDerWaalsContact C-N 3.33Å; D242-R244 PolarHBondContact O-N 2.72Å; D242-V245 PolarHBondContact O-N 3.36Å; D242-K246 WeakPolarHBondContact O-CG 3.47Å; D242-K246 PolarHBondContact O-N 3.21Å; D242-K246 WeakPolarHBondContact OD1-CE 3.43Å; D242-K246 IonicContact OD1-NZ 3.32Å; D242-K246 PolarHBondContact OD1-NZ 2.87Å; D242-K246 WeakPolarHBondContact OD2-CE 2.9Å; D242-K246 IonicContact OD2-NZ 3.03Å; D242-K246 PolarHBondContact OD2-NZ 3.48Å; D242-H589 IonicContact OD1-CE1 3.76Å; D242-H589 PolarHBondContact OD1-CE1 3Å; D242-H589 IonicContact OD1-NE2 3.68Å |
| 243 | G | 88.6 | Confident | 84.8 | Confident | 15 Ų | 15 | 50.3 Ų | 50.3 | 16% | 0.155 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.2 | -39.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S240 I241 K246 K247 | S240-G243 PolarHBondContact O-N 3.12Å; I241-G243 PolarHBondContact O-N 2.8Å; G243-K246 PolarHBondContact O-N 3.04Å; G243-K247 WeakPolarHBondContact O-CB 3.48Å; G243-K247 PolarHBondContact O-N 3.14Å |
| 244 | R | 90.7 | Very high | 83.5 | Confident | 22 Ų | 22 | 57.5 Ų | 57.5 | 8% | 0.083 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 175.1 | 179 | 61.8 | 64.9 | 90 | 6.9 | 112.2 | T233 K235 I236 S240 I241 D242 K247 L248 Y585 | T233-R244 PolarHBondContact O-NH1 3.34Å; K235-R244 PolarHBondContact O-NH2 3.02Å; I236-R244 HydrophobicContact CD1-CG 3.83Å; I236-R244 HydrophobicContact CG1-CG 3.95Å; I236-R244 VanDerWaalsContact CG1-CZ 3.47Å; I236-R244 HydrophobicContact CG2-CB 4.46Å; S240-R244 PolarHBondContact O-N 3.14Å; S240-R244 VanDerWaalsContact O-N 3.09Å; I241-R244 WeakPolarHBondContact O-CB 3.35Å; I241-R244 PolarHBondContact O-N 3.23Å; I241-R244 VanDerWaalsContact O-N 3.16Å; D242-R244 VanDerWaalsContact C-N 3.33Å; D242-R244 PolarHBondContact O-N 2.72Å; R244-K247 PolarHBondContact O-N 3.17Å; R244-L248 HydrophobicContact CG-CD1 3.93Å; R244-L248 HydrophobicContact CG-CG 4.39Å; R244-L248 WeakPolarHBondContact O-CG 3.22Å; R244-L248 PolarHBondContact O-N 3.35Å; R244-Y585 HydrophobicContact CG-CE1 4.04Å |
| 245 | V | 92.7 | Very high | 82.4 | Confident | 18 Ų | 18 | 61 Ų | 61 | 11% | 0.109 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.1 | -45.7 | 179.2 | 170.1 | 0 | 0 | 0 | 0 | 110.4 | I241 D242 K247 L248 Q249 F258 Y585 H589 | I241-V245 HydrophobicContact CG1-CG2 4.25Å; I241-V245 VanDerWaalsContact O-CG2 3.31Å; I241-V245 WeakPolarHBondContact O-CG2 3.41Å; I241-V245 PolarHBondContact O-N 3.41Å; D242-V245 PolarHBondContact O-N 3.36Å; V245-K247 PolarHBondContact O-N 3.42Å; V245-L248 PolarHBondContact O-N 2.88Å; V245-Q249 WeakPolarHBondContact O-CB 3.31Å; V245-Q249 PolarHBondContact O-N 3.43Å; V245-F258 HydrophobicContact CG1-CZ 4.45Å; V245-Y585 HydrophobicContact CG2-CD1 4.22Å; V245-H589 HydrophobicContact CG2-CB 4.46Å |
| 246 | K | 92.5 | Very high | 82 | Confident | 117 Ų | 117 | 59.2 Ų | 59.2 | 51% | 0.509 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.2 | -48 | 175 | -72.4 | 169.2 | 179.9 | 164.2 | 0 | 111.4 | D242 G243 L248 Q249 E250 | D242-K246 WeakPolarHBondContact O-CG 3.47Å; D242-K246 PolarHBondContact O-N 3.21Å; D242-K246 WeakPolarHBondContact OD1-CE 3.43Å; D242-K246 IonicContact OD1-NZ 3.32Å; D242-K246 PolarHBondContact OD1-NZ 2.87Å; D242-K246 WeakPolarHBondContact OD2-CE 2.9Å; D242-K246 IonicContact OD2-NZ 3.03Å; D242-K246 PolarHBondContact OD2-NZ 3.48Å; G243-K246 PolarHBondContact O-N 3.04Å; K246-L248 VanDerWaalsContact C-N 3.35Å; K246-L248 PolarHBondContact O-N 3.5Å; K246-Q249 WeakPolarHBondContact O-CB 3.35Å; K246-Q249 PolarHBondContact O-N 3.15Å; K246-Q249 VanDerWaalsContact O-N 3.1Å; K246-E250 PolarHBondContact O-N 3.15Å; K246-E250 VanDerWaalsContact O-N 3.14Å |
| 247 | K | 88.1 | Confident | 82 | Confident | 52 Ų | 52 | 59.2 Ų | 59.2 | 23% | 0.226 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62 | -38.6 | 179.6 | -168.3 | 71.7 | -163 | 174 | 0 | 113.4 | E114 R115 G243 R244 V245 Q249 E250 | E114-K247 VanDerWaalsContact OE1-CE 3.29Å; E114-K247 WeakPolarHBondContact OE1-CE 3.14Å; E114-K247 IonicContact OE1-NZ 3.89Å; E114-K247 PolarHBondContact OE1-NZ 3.18Å; E114-K247 WeakPolarHBondContact OE2-CE 3.26Å; E114-K247 IonicContact OE2-NZ 3.34Å; R115-K247 HydrophobicContact CG-CG 4.41Å; G243-K247 WeakPolarHBondContact O-CB 3.48Å; G243-K247 PolarHBondContact O-N 3.14Å; R244-K247 PolarHBondContact O-N 3.17Å; V245-K247 PolarHBondContact O-N 3.42Å; K247-Q249 VanDerWaalsContact C-N 3.3Å; K247-E250 WeakPolarHBondContact CD-OE2 3.49Å; K247-E250 IonicContact NZ-OE2 3.38Å; K247-E250 PolarHBondContact NZ-OE2 2.8Å |
| 248 | L | 90.1 | Very high | 82.5 | Confident | 3 Ų | 3 | 59.1 Ų | 59.1 | 2% | 0.016 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -73.5 | -23.4 | 177.3 | -70.4 | 173.1 | 0 | 0 | 0 | 112.8 | R244 V245 K246 G257 F258 E261 Y585 | R244-L248 HydrophobicContact CG-CD1 3.93Å; R244-L248 HydrophobicContact CG-CG 4.39Å; R244-L248 WeakPolarHBondContact O-CG 3.22Å; R244-L248 PolarHBondContact O-N 3.35Å; V245-L248 PolarHBondContact O-N 2.88Å; K246-L248 VanDerWaalsContact C-N 3.35Å; K246-L248 PolarHBondContact O-N 3.5Å; L248-G257 VanDerWaalsContact O-CA 3.28Å; L248-G257 WeakPolarHBondContact O-CA 3.28Å; L248-F258 HydrophobicContact CB-CD1 4.03Å; L248-F258 HydrophobicContact CB-CD2 3.76Å; L248-F258 HydrophobicContact CB-CE1 3.79Å; L248-F258 HydrophobicContact CB-CE2 3.52Å; L248-F258 HydrophobicContact CB-CG 4.01Å; L248-F258 HydrophobicContact CB-CZ 3.54Å; L248-F258 HydrophobicContact CD1-CD1 3.92Å; L248-F258 HydrophobicContact CD1-CE1 3.54Å; L248-F258 HydrophobicContact CD1-CZ 4.02Å; L248-F258 HydrophobicContact CG-CE1 4.31Å; L248-F258 HydrophobicContact CG-CZ 4.45Å; L248-F258 WeakPolarHBondContact O-CD2 3.43Å; L248-F258 PolarHBondContact O-N 2.89Å; L248-E261 HydrophobicContact CD2-CG 4.38Å; L248-Y585 HydrophobicContact CD1-CD1 4.19Å; L248-Y585 HydrophobicContact CD1-CE1 3.59Å; L248-Y585 HydrophobicContact CD1-CE2 4.28Å |
| 249 | Q | 89.7 | Confident | 82.6 | Confident | 105 Ų | 105 | 62.9 Ų | 62.9 | 49% | 0.491 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -80 | -26.7 | 176.6 | -164.5 | 104.9 | -5.5 | 0 | 0 | 113 | V245 K246 K247 G251 F258 | V245-Q249 WeakPolarHBondContact O-CB 3.31Å; V245-Q249 PolarHBondContact O-N 3.43Å; K246-Q249 WeakPolarHBondContact O-CB 3.35Å; K246-Q249 PolarHBondContact O-N 3.15Å; K246-Q249 VanDerWaalsContact O-N 3.1Å; K247-Q249 VanDerWaalsContact C-N 3.3Å; Q249-G251 PolarHBondContact O-N 2.9Å; Q249-F258 HydrophobicContact CB-CE2 4.44Å |
| 250 | E | 83.6 | Confident | 83 | Confident | 121 Ų | 121 | 61.3 Ų | 61.3 | 57% | 0.565 | 32% | 0.315 | S | S | * | . | trans | -62.7 | -15.4 | 176.7 | -74.1 | 169.3 | -165.7 | 0 | 0 | 113.5 | K246 K247 E252 | K246-E250 PolarHBondContact O-N 3.15Å; K246-E250 VanDerWaalsContact O-N 3.14Å; K247-E250 WeakPolarHBondContact CD-OE2 3.49Å; K247-E250 IonicContact NZ-OE2 3.38Å; K247-E250 PolarHBondContact NZ-OE2 2.8Å; E250-E252 PolarHBondContact O-N 2.91Å | ||
| 251 | G | 70.7 | Confident | 83.2 | Confident | 27 Ų | 27 | 60.2 Ų | 60.2 | 28% | 0.278 | 31% | 0.307 | S | S | . | . | trans | -65.5 | 101.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q249 S256 | Q249-G251 PolarHBondContact O-N 2.9Å; G251-S256 WeakPolarHBondContact CA-OG 3.37Å | ||
| 252 | E | 58.2 | Low | 83.3 | Confident | 193 Ų | 193 | 60.3 Ų | 60.3 | 90% | 0.902 | 31% | 0.308 | S | S | * | . | trans | -75.6 | -30.8 | 177.1 | -64.5 | -172.8 | 162.1 | 0 | 0 | 112 | E250 | E250-E252 PolarHBondContact O-N 2.91Š| ||
| 253 | D | 59.5 | Low | 83.2 | Confident | 116 Ų | 116 | 60.2 Ų | 60.2 | 62% | 0.62 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -98 | 151.9 | -177.8 | -70 | -26.5 | 0 | 0 | 0 | 112.7 | S255 S256 | D253-S255 WeakPolarHBondContact CB-OG 3.42Å; D253-S255 PolarHBondContact O-N 3.22Å; D253-S256 PolarHBondContact O-N 3.33Å |
| 254 | Q | 64.2 | Low | 83.2 | Confident | 163 Ų | 163 | 63 Ų | 63 | 76% | 0.762 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 18.8 | 166.5 | -63.3 | 179.5 | 13.3 | 0 | 0 | 113.6 | W259 | Q254-W259 VanDerWaalsContact C-CD1 3.49Å; Q254-W259 HydrophobicContact CB-CG 4.4Å; Q254-W259 PolarHBondContact O-NE1 3.13Å |
| 255 | S | 66.1 | Low | 83.1 | Confident | 84 Ų | 84 | 62 Ų | 62 | 59% | 0.587 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.4 | -3.3 | 177.9 | 67 | 0 | 0 | 0 | 0 | 113 | D253 | D253-S255 WeakPolarHBondContact CB-OG 3.42Å; D253-S255 PolarHBondContact O-N 3.22Å |
| 256 | S | 81.3 | Confident | 82.7 | Confident | 39 Ų | 39 | 64.8 Ų | 64.8 | 27% | 0.273 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -144.4 | 174.5 | -174.6 | 68.3 | 0 | 0 | 0 | 0 | 112.7 | G251 D253 E260 | G251-S256 WeakPolarHBondContact CA-OG 3.37Å; D253-S256 PolarHBondContact O-N 3.33Å; S256-E260 PolarHBondContact O-N 3.06Å |
| 257 | G | 88 | Confident | 82.3 | Confident | 4 Ų | 4 | 64.8 Ų | 64.8 | 4% | 0.041 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | 71.2 | -142.1 | 171 | 0 | 0 | 0 | 0 | 0 | 114.2 | L248 W259 E260 E261 | L248-G257 VanDerWaalsContact O-CA 3.28Å; L248-G257 WeakPolarHBondContact O-CA 3.28Å; G257-W259 VanDerWaalsContact C-N 3.31Å; G257-W259 PolarHBondContact O-N 2.96Å; G257-E260 PolarHBondContact O-N 3.18Å; G257-E261 PolarHBondContact O-N 3.34Å |
| 258 | F | 91.7 | Very high | 81.6 | Confident | 5 Ų | 5 | 64.4 Ų | 64.4 | 2% | 0.022 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.9 | -40.1 | 179.3 | -72.6 | -69.8 | 0 | 0 | 0 | 112.7 | V245 L248 Q249 E261 F262 E578 Y581 K582 Y585 | V245-F258 HydrophobicContact CG1-CZ 4.45Å; L248-F258 HydrophobicContact CB-CD1 4.03Å; L248-F258 HydrophobicContact CB-CD2 3.76Å; L248-F258 HydrophobicContact CB-CE1 3.79Å; L248-F258 HydrophobicContact CB-CE2 3.52Å; L248-F258 HydrophobicContact CB-CG 4.01Å; L248-F258 HydrophobicContact CB-CZ 3.54Å; L248-F258 HydrophobicContact CD1-CD1 3.92Å; L248-F258 HydrophobicContact CD1-CE1 3.54Å; L248-F258 HydrophobicContact CD1-CZ 4.02Å; L248-F258 HydrophobicContact CG-CE1 4.31Å; L248-F258 HydrophobicContact CG-CZ 4.45Å; L248-F258 WeakPolarHBondContact O-CD2 3.43Å; L248-F258 PolarHBondContact O-N 2.89Å; Q249-F258 HydrophobicContact CB-CE2 4.44Å; F258-E261 PolarHBondContact O-N 3.43Å; F258-F262 VanDerWaalsContact O-CB 3.31Å; F258-F262 WeakPolarHBondContact O-CB 3.15Å; F258-F262 PolarHBondContact O-N 3.17Å; F258-E578 HydrophobicContact CB-CG 4.14Å; F258-E578 WeakPolarHBondContact CB-OE1 3.2Å; F258-Y581 HydrophobicContact CD1-CD1 4.4Å; F258-K582 HydrophobicContact CD1-CB 4.07Å; F258-K582 HydrophobicContact CD1-CG 4.3Å; F258-K582 HydrophobicContact CD2-CB 4.4Å; F258-K582 HydrophobicContact CD2-CD 3.98Å; F258-K582 HydrophobicContact CD2-CG 4.02Å; F258-K582 HydrophobicContact CE1-CB 4.32Å; F258-K582 HydrophobicContact CE1-CG 4.19Å; F258-K582 HydrophobicContact CE2-CD 4.08Å; F258-K582 HydrophobicContact CE2-CG 3.89Å; F258-K582 HydrophobicContact CG-CB 4.12Å; F258-K582 HydrophobicContact CG-CD 4.46Å; F258-K582 HydrophobicContact CG-CG 4.22Å; F258-K582 HydrophobicContact CZ-CG 3.98Å; F258-Y585 HydrophobicContact CD1-CD2 4.12Å; F258-Y585 HydrophobicContact CD1-CE2 4.33Å; F258-Y585 HydrophobicContact CE1-CD1 4.14Å; F258-Y585 AromaticContact CE1-CD2 3.61Å; F258-Y585 HydrophobicContact CE1-CD2 3.61Å; F258-Y585 HydrophobicContact CE1-CE2 4.08Å; F258-Y585 AromaticContact CE1-CG 3.65Å; F258-Y585 HydrophobicContact CE1-CG 3.65Å; F258-Y585 HydrophobicContact CZ-CG 4.43Å |
| 259 | W | 89.6 | Confident | 80.8 | Confident | 78 Ų | 78 | 67.3 Ų | 67.3 | 30% | 0.295 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 178.9 | -176.2 | -91.6 | 0 | 0 | 0 | 111.9 | Q254 G257 E261 F262 E263 E578 | Q254-W259 VanDerWaalsContact C-CD1 3.49Å; Q254-W259 HydrophobicContact CB-CG 4.4Å; Q254-W259 PolarHBondContact O-NE1 3.13Å; G257-W259 VanDerWaalsContact C-N 3.31Å; G257-W259 PolarHBondContact O-N 2.96Å; W259-E261 PolarHBondContact O-N 2.79Å; W259-F262 PolarHBondContact O-N 3.49Å; W259-E263 WeakPolarHBondContact O-CB 3.41Å; W259-E263 PolarHBondContact O-N 2.99Å; W259-E578 HydrophobicContact CB-CG 4.45Å; W259-E578 HydrophobicContact CE3-CB 3.73Å; W259-E578 HydrophobicContact CE3-CG 3.95Å; W259-E578 HydrophobicContact CZ3-CB 4.03Å; W259-E578 PolarHBondContact N-OE1 2.94Å |
| 260 | E | 89.6 | Confident | 79.4 | Confident | 36 Ų | 36 | 66.6 Ų | 66.6 | 17% | 0.168 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -57.6 | -49.2 | 175.2 | 179 | -150.5 | 140.6 | 0 | 0 | 112 | R115 N232 S256 G257 F262 E263 Q264 | R115-E260 IonicContact CZ-OE1 3.51Å; R115-E260 IonicContact CZ-OE2 3.03Å; R115-E260 IonicContact NH1-OE1 3.12Å; R115-E260 PolarHBondContact NH1-OE1 3.45Å; R115-E260 IonicContact NH1-OE2 3.89Å; R115-E260 PolarHBondContact NH1-OE2 3.23Å; R115-E260 IonicContact NH2-OE1 3.58Å; R115-E260 PolarHBondContact NH2-OE1 3.3Å; R115-E260 IonicContact NH2-OE2 2.85Å; N232-E260 PolarHBondContact ND2-OE1 2.83Å; S256-E260 PolarHBondContact O-N 3.06Å; G257-E260 PolarHBondContact O-N 3.18Å; E260-F262 VanDerWaalsContact C-N 3.32Å; E260-F262 PolarHBondContact O-N 3.5Å; E260-E263 PolarHBondContact O-N 3.41Å; E260-Q264 WeakPolarHBondContact O-CG 3.38Å; E260-Q264 PolarHBondContact O-N 2.66Å; E260-Q264 VanDerWaalsContact O-N 3.09Å; E260-Q264 PolarHBondContact OE1-NE2 2.92Å |
| 261 | E | 91.3 | Very high | 78.5 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.1 | -38.7 | 178.8 | -68 | -168.4 | 173.4 | 0 | 0 | 112.1 | R115 T234 L248 G257 F258 W259 L265 Y581 Y585 | R115-E261 IonicContact CZ-OE1 2.73Å; R115-E261 IonicContact NE-OE1 2.69Å; R115-E261 PolarHBondContact NE-OE1 3.16Å; R115-E261 IonicContact NH2-OE1 3.06Å; R115-E261 PolarHBondContact NH2-OE1 3.35Å; T234-E261 HydrophobicContact CG2-CG 4.25Å; L248-E261 HydrophobicContact CD2-CG 4.38Å; G257-E261 PolarHBondContact O-N 3.34Å; F258-E261 PolarHBondContact O-N 3.43Å; W259-E261 PolarHBondContact O-N 2.79Å; E261-L265 PolarHBondContact O-N 3.37Å; E261-Y581 HydrophobicContact CB-CE1 3.88Å; E261-Y581 PolarHBondContact OE2-OH 3.01Å; E261-Y585 PolarHBondContact OE2-OH 2.7Å |
| 262 | F | 91.8 | Very high | 78.3 | Confident | 4 Ų | 4 | 69.5 Ų | 69.5 | 2% | 0.018 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -71.4 | -39.5 | 178.7 | -174.5 | -108.2 | 0 | 0 | 0 | 112.5 | F258 W259 E260 Q264 L265 Q266 V575 E578 Y581 | F258-F262 VanDerWaalsContact O-CB 3.31Å; F258-F262 WeakPolarHBondContact O-CB 3.15Å; F258-F262 PolarHBondContact O-N 3.17Å; W259-F262 PolarHBondContact O-N 3.49Å; E260-F262 VanDerWaalsContact C-N 3.32Å; E260-F262 PolarHBondContact O-N 3.5Å; F262-Q264 VanDerWaalsContact C-N 3.34Å; F262-Q264 PolarHBondContact O-N 3.28Å; F262-L265 VanDerWaalsContact O-CB 3.31Å; F262-L265 WeakPolarHBondContact O-CB 3.35Å; F262-L265 PolarHBondContact O-N 3.46Å; F262-L265 VanDerWaalsContact O-N 3.13Å; F262-Q266 HydrophobicContact CD1-CG 4.38Å; F262-Q266 HydrophobicContact CE1-CG 4.12Å; F262-Q266 WeakPolarHBondContact O-CG 3.28Å; F262-Q266 PolarHBondContact O-N 3.08Å; F262-Q266 VanDerWaalsContact O-N 3.14Å; F262-V575 HydrophobicContact CE2-CG1 4.45Å; F262-E578 HydrophobicContact CD1-CB 4.13Å; F262-E578 HydrophobicContact CG-CB 4.46Å; F262-Y581 HydrophobicContact CB-CD1 4.1Å; F262-Y581 HydrophobicContact CB-CG 4.31Å; F262-Y581 HydrophobicContact CD2-CD1 4.43Å; F262-Y581 HydrophobicContact CD2-CD2 4.06Å; F262-Y581 AromaticContact CD2-CG 3.79Å; F262-Y581 HydrophobicContact CD2-CG 3.79Å; F262-Y581 HydrophobicContact CG-CG 4.44Å |
| 263 | E | 89.9 | Confident | 79.1 | Confident | 63 Ų | 63 | 67 Ų | 67 | 29% | 0.294 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.2 | -36.6 | 177.7 | -178.8 | 55.6 | -152.5 | 0 | 0 | 111.3 | W259 E260 L265 Q266 Q267 | W259-E263 WeakPolarHBondContact O-CB 3.41Å; W259-E263 PolarHBondContact O-N 2.99Å; E260-E263 PolarHBondContact O-N 3.41Å; E263-L265 VanDerWaalsContact C-N 3.28Å; E263-L265 PolarHBondContact O-N 2.69Å; E263-Q266 WeakPolarHBondContact O-CB 3.44Å; E263-Q266 PolarHBondContact O-N 2.98Å; E263-Q266 VanDerWaalsContact O-N 3.11Å; E263-Q267 WeakPolarHBondContact O-CG 3.48Å; E263-Q267 PolarHBondContact O-N 2.83Å; E263-Q267 PolarHBondContact OE1-NE2 3.21Å |
| 264 | Q | 87.8 | Confident | 80.5 | Confident | 72 Ų | 72 | 64.7 Ų | 64.7 | 34% | 0.336 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.2 | -37.2 | 171.1 | -72.6 | 173.5 | 18.3 | 0 | 0 | 112.4 | E260 F262 Q266 Q267 Q268 | E260-Q264 WeakPolarHBondContact O-CG 3.38Å; E260-Q264 PolarHBondContact O-N 2.66Å; E260-Q264 VanDerWaalsContact O-N 3.09Å; E260-Q264 PolarHBondContact OE1-NE2 2.92Å; F262-Q264 VanDerWaalsContact C-N 3.34Å; F262-Q264 PolarHBondContact O-N 3.28Å; Q264-Q266 VanDerWaalsContact C-N 3.34Å; Q264-Q267 PolarHBondContact O-N 3.36Å; Q264-Q268 WeakPolarHBondContact O-CG 3.32Å; Q264-Q268 PolarHBondContact O-N 3.14Å; Q264-Q268 VanDerWaalsContact O-N 3.1Å |
| 265 | L | 87.8 | Confident | 81.9 | Confident | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.9 | -38.3 | 173.7 | -75 | 167.2 | 0 | 0 | 0 | 112.1 | E261 F262 E263 Q268 E269 R561 V564 Q565 R568 Y581 | E261-L265 PolarHBondContact O-N 3.37Å; F262-L265 VanDerWaalsContact O-CB 3.31Å; F262-L265 WeakPolarHBondContact O-CB 3.35Å; F262-L265 PolarHBondContact O-N 3.46Å; F262-L265 VanDerWaalsContact O-N 3.13Å; E263-L265 VanDerWaalsContact C-N 3.28Å; E263-L265 PolarHBondContact O-N 2.69Å; L265-Q268 PolarHBondContact O-N 3.48Å; L265-E269 PolarHBondContact O-N 3.27Å; L265-R561 HydrophobicContact CD1-CG 3.9Å; L265-R561 HydrophobicContact CD2-CG 3.71Å; L265-R561 WeakPolarHBondContact CD2-O 3.43Å; L265-R561 HydrophobicContact CG-CG 3.65Å; L265-V564 HydrophobicContact CD1-CB 4.06Å; L265-V564 HydrophobicContact CD1-CG1 3.89Å; L265-Q565 HydrophobicContact CD2-CB 3.8Å; L265-R568 PolarHBondContact O-NH1 3.44Å; L265-Y581 HydrophobicContact CD1-CD2 4.02Å; L265-Y581 HydrophobicContact CD1-CE2 3.52Å |
| 266 | Q | 85.7 | Confident | 83.3 | Confident | 76 Ų | 76 | 59.2 Ų | 59.2 | 36% | 0.355 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.3 | -44 | 176.8 | -60.4 | -88.4 | 87.8 | 0 | 0 | 110.7 | F262 E263 Q264 Q268 E269 | F262-Q266 HydrophobicContact CD1-CG 4.38Å; F262-Q266 HydrophobicContact CE1-CG 4.12Å; F262-Q266 WeakPolarHBondContact O-CG 3.28Å; F262-Q266 PolarHBondContact O-N 3.08Å; F262-Q266 VanDerWaalsContact O-N 3.14Å; E263-Q266 WeakPolarHBondContact O-CB 3.44Å; E263-Q266 PolarHBondContact O-N 2.98Å; E263-Q266 VanDerWaalsContact O-N 3.11Å; Q264-Q266 VanDerWaalsContact C-N 3.34Å; Q266-Q268 VanDerWaalsContact C-N 3.28Å; Q266-Q268 PolarHBondContact O-N 3.13Å; Q266-E269 PolarHBondContact O-N 3.13Å |
| 267 | Q | 83.2 | Confident | 84 | Confident | 117 Ų | 117 | 64.2 Ų | 64.2 | 55% | 0.547 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68 | -26.9 | 178.7 | -67.5 | 172.6 | 14.8 | 0 | 0 | 112.9 | E263 Q264 C270 | E263-Q267 WeakPolarHBondContact O-CG 3.48Å; E263-Q267 PolarHBondContact O-N 2.83Å; E263-Q267 PolarHBondContact OE1-NE2 3.21Å; Q264-Q267 PolarHBondContact O-N 3.36Å; Q267-C270 PolarHBondContact O-SG 3.34Å |
| 268 | Q | 74.9 | Confident | 84.5 | Confident | 45 Ų | 45 | 66.3 Ų | 66.3 | 21% | 0.21 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -75.8 | -24.8 | 175.7 | -74.4 | 173.7 | -5.3 | 0 | 0 | 113.2 | Q264 L265 Q266 C270 K271 Q565 | Q264-Q268 WeakPolarHBondContact O-CG 3.32Å; Q264-Q268 PolarHBondContact O-N 3.14Å; Q264-Q268 VanDerWaalsContact O-N 3.1Å; L265-Q268 PolarHBondContact O-N 3.48Å; Q266-Q268 VanDerWaalsContact C-N 3.28Å; Q266-Q268 PolarHBondContact O-N 3.13Å; Q268-C270 PolarHBondContact O-N 3.38Å; Q268-C270 VanDerWaalsContact O-N 3.16Å; Q268-K271 WeakPolarHBondContact O-CB 3.47Å; Q268-K271 PolarHBondContact O-N 3.1Å; Q268-Q565 VanDerWaalsContact OE1-OE1 3.09Å |
| 269 | E | 71.9 | Confident | 84.8 | Confident | 64 Ų | 64 | 66.1 Ų | 66.1 | 30% | 0.299 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60 | -28.4 | 178.8 | -69.7 | -166.7 | 152.1 | 0 | 0 | 112.6 | L265 Q266 K271 H272 R568 G573 | L265-E269 PolarHBondContact O-N 3.27Å; Q266-E269 PolarHBondContact O-N 3.13Å; E269-K271 PolarHBondContact O-N 3.43Å; E269-H272 PolarHBondContact O-N 3.35Å; E269-H272 VanDerWaalsContact O-N 3.14Å; E269-R568 WeakPolarHBondContact OE1-CD 3.46Å; E269-R568 IonicContact OE1-CZ 3.79Å; E269-R568 IonicContact OE1-NE 3.98Å; E269-R568 PolarHBondContact OE1-NE 2.95Å; E269-R568 IonicContact OE1-NH1 3.79Å; E269-R568 PolarHBondContact OE1-NH1 3Å; E269-R568 IonicContact OE1-NH2 3.79Å; E269-R568 IonicContact OE2-NH1 2.76Å; E269-G573 WeakPolarHBondContact OE1-CA 3.5Å; E269-G573 PolarHBondContact OE1-N 3.25Å |
| 270 | C | 61.7 | Low | 85.2 | Confident | 89 Ų | 89 | 67.2 Ų | 67.2 | 60% | 0.601 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -18.3 | 177.1 | 78 | 0 | 0 | 0 | 0 | 113.3 | Q267 Q268 | Q267-C270 PolarHBondContact O-SG 3.34Å; Q268-C270 PolarHBondContact O-N 3.38Å; Q268-C270 VanDerWaalsContact O-N 3.16Å |
| 271 | K | 63.9 | Low | 85.6 | Confident | 163 Ų | 163 | 69.6 Ų | 69.6 | 71% | 0.709 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -22.8 | 174.3 | -61.4 | -174.7 | 176.9 | -177 | 0 | 112.3 | Q268 E269 | Q268-K271 WeakPolarHBondContact O-CB 3.47Å; Q268-K271 PolarHBondContact O-N 3.1Å; E269-K271 PolarHBondContact O-N 3.43Å |
| 272 | H | 66.2 | Low | 85.9 | Confident | 46 Ų | 46 | 73.9 Ų | 73.9 | 21% | 0.213 | 36% | 0.357 | C | S | . | . | trans | -108.2 | 59.2 | -173.3 | -67.9 | 165.8 | 0 | 0 | 0 | 111.3 | E269 Y274 E381 | E269-H272 PolarHBondContact O-N 3.35Å; E269-H272 VanDerWaalsContact O-N 3.14Å; H272-Y274 HydrophobicContact CB-CD2 3.96Å; H272-Y274 HydrophobicContact CB-CE2 3.55Å; H272-Y274 AromaticContact CG-CE2 3.89Å; H272-Y274 PolarHBondContact O-N 2.85Å; H272-E381 IonicContact CE1-OE1 3.81Å; H272-E381 PolarHBondContact CE1-OE1 3.05Å | ||
| 273 | L | 75.4 | Confident | 86.2 | Confident | 140 Ų | 140 | 77.9 Ų | 77.9 | 73% | 0.733 | 38% | 0.376 | S | S | * | . | trans | -75.7 | 61.3 | 175.9 | -66.7 | 172.9 | 0 | 0 | 0 | 111.6 | ||||
| 274 | Y | 89.1 | Confident | 86.5 | Confident | 69 Ų | 69 | 74.9 Ų | 74.9 | 27% | 0.271 | 36% | 0.362 | S | S | . | . | trans | -66.6 | 146.9 | 175.6 | -60.5 | -64.2 | 0 | 0 | 0 | 111.6 | H272 F296 H298 S569 | H272-Y274 HydrophobicContact CB-CD2 3.96Å; H272-Y274 HydrophobicContact CB-CE2 3.55Å; H272-Y274 AromaticContact CG-CE2 3.89Å; H272-Y274 PolarHBondContact O-N 2.85Å; Y274-F296 HydrophobicContact CD2-CD2 4.04Å; Y274-F296 HydrophobicContact CD2-CE1 4.3Å; Y274-F296 AromaticContact CD2-CE2 3.7Å; Y274-F296 HydrophobicContact CD2-CE2 3.7Å; Y274-F296 HydrophobicContact CD2-CG 4.49Å; Y274-F296 AromaticContact CD2-CZ 3.84Å; Y274-F296 HydrophobicContact CD2-CZ 3.84Å; Y274-F296 HydrophobicContact CE2-CE2 4.47Å; Y274-F296 HydrophobicContact CG-CD2 4.5Å; Y274-H298 AromaticContact CD1-CE1 3.64Å; Y274-H298 AromaticContact CD2-CE1 3.84Å; Y274-H298 AromaticContact CG-CE1 3.44Å; Y274-H298 VanDerWaalsContact CG-CE1 3.44Å; Y274-S569 WeakPolarHBondContact CE2-O 3.28Å | ||
| 275 | S | 93.5 | Very high | 87 | Confident | 50 Ų | 50 | 79.3 Ų | 79.3 | 35% | 0.35 | 38% | 0.375 | S | S | . | . | trans | -65 | 142.5 | -179.2 | -171.9 | 0 | 0 | 0 | 0 | 111.1 | K277 F296 D297 | S275-K277 WeakPolarHBondContact OG-CG 3.38Å; S275-F296 WeakPolarHBondContact O-CA 3.37Å; S275-D297 WeakPolarHBondContact CB-OD2 3.49Å; S275-D297 PolarHBondContact O-N 3.01Å; S275-D297 PolarHBondContact OG-OD2 3.46Å | ||
| 276 | R | 95.3 | Very high | 87.5 | Confident | 82 Ų | 82 | 83.5 Ų | 83.5 | 31% | 0.309 | 40% | 0.403 | S | S | . | . | trans | -135 | 26 | 178.5 | -69.1 | 165.3 | -78 | -176.5 | -1.4 | 110.7 | E278 G279 Q280 L294 P295 F296 D297 | R276-E278 VanDerWaalsContact C-N 3.3Å; R276-E278 PolarHBondContact O-N 3.13Å; R276-G279 PolarHBondContact O-N 2.96Å; R276-Q280 WeakPolarHBondContact O-CG 3.16Å; R276-Q280 PolarHBondContact O-N 2.77Å; R276-L294 HydrophobicContact CB-CB 4.1Å; R276-L294 HydrophobicContact CB-CD1 4.4Å; R276-L294 HydrophobicContact CG-CB 4.34Å; R276-P295 WeakPolarHBondContact CG-O 3.31Å; R276-F296 HydrophobicContact CG-CD1 3.8Å; R276-F296 HydrophobicContact CG-CE1 4.4Å; R276-D297 VanDerWaalsContact C-OD1 3.28Å; R276-D297 WeakPolarHBondContact CA-OD1 3.48Å; R276-D297 PolarHBondContact N-OD2 2.82Å | ||
| 277 | K | 96.8 | Very high | 88.1 | Confident | 143 Ų | 143 | 81.6 Ų | 81.6 | 62% | 0.622 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -63.5 | -37.9 | -169.9 | -72.8 | 174.8 | -176.4 | 179.8 | 0 | 110.9 | S275 G279 Q280 R281 D297 | S275-K277 WeakPolarHBondContact OG-CG 3.38Å; K277-G279 VanDerWaalsContact C-N 3.31Å; K277-G279 PolarHBondContact O-N 3.41Å; K277-Q280 PolarHBondContact O-N 2.86Å; K277-R281 PolarHBondContact O-N 3.24Å; K277-D297 PolarHBondContact N-OD1 3.28Å; K277-D297 VanDerWaalsContact N-OD1 3.13Å; K277-D297 PolarHBondContact N-OD2 3.28Å |
| 278 | E | 97.7 | Very high | 88.8 | Confident | 48 Ų | 48 | 76.8 Ų | 76.8 | 22% | 0.224 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.2 | -41.2 | -179.6 | -66.8 | -55.5 | 136.1 | 0 | 0 | 111.3 | R276 Q280 R281 N284 D297 Y315 | R276-E278 VanDerWaalsContact C-N 3.3Å; R276-E278 PolarHBondContact O-N 3.13Å; E278-Q280 VanDerWaalsContact C-N 3.25Å; E278-Q280 PolarHBondContact O-N 2.9Å; E278-R281 WeakPolarHBondContact O-CB 3.33Å; E278-R281 PolarHBondContact O-N 3.2Å; E278-R281 WeakPolarHBondContact OE2-CD 3.45Å; E278-R281 IonicContact OE2-CZ 2.79Å; E278-R281 IonicContact OE2-NE 3.51Å; E278-R281 IonicContact OE2-NH1 2.71Å; E278-R281 PolarHBondContact OE2-NH1 3.22Å; E278-N284 WeakPolarHBondContact O-CB 3.41Å; E278-N284 PolarHBondContact O-ND2 3.36Å; E278-D297 WeakPolarHBondContact CB-OD1 3.19Å; E278-D297 PolarHBondContact N-OD1 3.01Å; E278-Y315 HydrophobicContact CB-CD2 4.31Å; E278-Y315 HydrophobicContact CB-CE2 4.43Å |
| 279 | G | 97.6 | Very high | 89.9 | Confident | 1 Ų | 1 | 76.7 Ų | 76.7 | 1% | 0.01 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -69.6 | -19.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | R276 K277 N288 Y315 | R276-G279 PolarHBondContact O-N 2.96Å; K277-G279 VanDerWaalsContact C-N 3.31Å; K277-G279 PolarHBondContact O-N 3.41Å; G279-N288 PolarHBondContact O-ND2 3.07Å; G279-Y315 VanDerWaalsContact CA-CE2 3.49Å; G279-Y315 VanDerWaalsContact CA-OH 3.25Å; G279-Y315 WeakPolarHBondContact CA-OH 3.28Å |
| 280 | Q | 97.5 | Very high | 91.1 | Very high | 102 Ų | 102 | 77.2 Ų | 77.2 | 48% | 0.477 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -87.9 | -12.3 | 179.9 | -68.5 | 174.2 | -13.4 | 0 | 0 | 113.7 | R276 K277 E278 R285 L294 | R276-Q280 WeakPolarHBondContact O-CG 3.16Å; R276-Q280 PolarHBondContact O-N 2.77Å; K277-Q280 PolarHBondContact O-N 2.86Å; E278-Q280 VanDerWaalsContact C-N 3.25Å; E278-Q280 PolarHBondContact O-N 2.9Å; Q280-R285 PolarHBondContact O-NE 3.27Å; Q280-R285 PolarHBondContact O-NH2 3.11Å; Q280-L294 HydrophobicContact CG-CD1 3.47Å; Q280-L294 VanDerWaalsContact CG-CD1 3.47Å |
| 281 | R | 98.1 | Very high | 92.7 | Very high | 85 Ų | 85 | 82.3 Ų | 82.3 | 32% | 0.321 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -57.6 | 139.8 | -179.7 | -69.3 | 176.3 | 65.4 | 176 | 2 | 111.5 | K277 E278 E283 N284 R285 | K277-R281 PolarHBondContact O-N 3.24Å; E278-R281 WeakPolarHBondContact O-CB 3.33Å; E278-R281 PolarHBondContact O-N 3.2Å; E278-R281 WeakPolarHBondContact OE2-CD 3.45Å; E278-R281 IonicContact OE2-CZ 2.79Å; E278-R281 IonicContact OE2-NE 3.51Å; E278-R281 IonicContact OE2-NH1 2.71Å; E278-R281 PolarHBondContact OE2-NH1 3.22Å; R281-E283 IonicContact NE-OE2 3.57Å; R281-E283 PolarHBondContact O-N 3.18Å; R281-E283 VanDerWaalsContact O-N 3.14Å; R281-N284 HydrophobicContact CB-CB 4.26Å; R281-N284 PolarHBondContact O-N 2.93Å; R281-R285 WeakPolarHBondContact O-CG 3.32Å; R281-R285 PolarHBondContact O-N 3.22Å; R281-R285 VanDerWaalsContact O-N 3.08Å |
| 282 | P | 98 | Very high | 94 | Very high | 91 Ų | 91 | 80 Ų | 80 | 59% | 0.591 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | -39.1 | -177.8 | -28.1 | 35.8 | 0 | 0 | 0 | 114 | P286 | P282-P286 WeakPolarHBondContact O-CD 3.19Š|
| 283 | E | 97.4 | Very high | 95.4 | Very high | 88 Ų | 88 | 78.8 Ų | 78.8 | 41% | 0.411 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -25.5 | -176.3 | -48.8 | 88 | 172.5 | 0 | 0 | 112.5 | R281 P311 | R281-E283 IonicContact NE-OE2 3.57Å; R281-E283 PolarHBondContact O-N 3.18Å; R281-E283 VanDerWaalsContact O-N 3.14Å; E283-P311 HydrophobicContact CB-CB 4.4Å; E283-P311 HydrophobicContact CG-CB 3.98Å |
| 284 | N | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -21.5 | -179.3 | -68.7 | -19.7 | 0 | 0 | 0 | 113.1 | E278 R281 P286 K287 N288 G312 Y315 | E278-N284 WeakPolarHBondContact O-CB 3.41Å; E278-N284 PolarHBondContact O-ND2 3.36Å; R281-N284 HydrophobicContact CB-CB 4.26Å; R281-N284 PolarHBondContact O-N 2.93Å; N284-P286 VanDerWaalsContact C-CD 3.48Å; N284-K287 WeakPolarHBondContact O-CB 3.42Å; N284-K287 PolarHBondContact O-N 3.33Å; N284-N288 PolarHBondContact O-ND2 3.09Å; N284-G312 WeakPolarHBondContact OD1-CA 3.4Å; N284-Y315 HydrophobicContact CB-CD1 3.57Å; N284-Y315 HydrophobicContact CB-CD2 4.19Å; N284-Y315 HydrophobicContact CB-CE1 3.76Å; N284-Y315 HydrophobicContact CB-CE2 4.36Å; N284-Y315 HydrophobicContact CB-CG 3.8Å; N284-Y315 VanDerWaalsContact CG-CB 3.44Å; N284-Y315 WeakPolarHBondContact ND2-CB 3.27Å; N284-Y315 WeakPolarHBondContact ND2-CD2 3.49Å; N284-Y315 WeakPolarHBondContact OD1-CB 3.36Å |
| 285 | R | 97.8 | Very high | 96.8 | Very high | 164 Ų | 164 | 69.3 Ų | 69.3 | 62% | 0.619 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -52 | -44.9 | 179 | -76.4 | 174 | -171.9 | -169.9 | -0.2 | 113.8 | Q280 R281 K287 N288 | Q280-R285 PolarHBondContact O-NE 3.27Å; Q280-R285 PolarHBondContact O-NH2 3.11Å; R281-R285 WeakPolarHBondContact O-CG 3.32Å; R281-R285 PolarHBondContact O-N 3.22Å; R281-R285 VanDerWaalsContact O-N 3.08Å; R285-K287 PolarHBondContact O-N 2.73Å; R285-N288 PolarHBondContact O-N 2.9Å; R285-N288 VanDerWaalsContact O-N 3.15Å |
| 286 | P | 97.9 | Very high | 97 | Very high | 91 Ų | 91 | 67.1 Ų | 67.1 | 59% | 0.591 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -67.2 | -19.7 | 179 | -20.1 | 34 | 0 | 0 | 0 | 114 | P282 N284 N288 | P282-P286 WeakPolarHBondContact O-CD 3.19Å; N284-P286 VanDerWaalsContact C-CD 3.48Å; P286-N288 VanDerWaalsContact C-N 3.29Å |
| 287 | K | 98.3 | Very high | 97.1 | Very high | 35 Ų | 35 | 64.9 Ų | 64.9 | 15% | 0.152 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -81 | -9.5 | 176.5 | -60.3 | -176.3 | 168.8 | -157 | 0 | 112.5 | N284 R285 G312 Y315 Q396 T402 D405 | N284-K287 WeakPolarHBondContact O-CB 3.42Å; N284-K287 PolarHBondContact O-N 3.33Å; R285-K287 PolarHBondContact O-N 2.73Å; K287-G312 PolarHBondContact NZ-O 2.8Å; K287-Y315 HydrophobicContact CB-CD1 4.14Å; K287-Y315 HydrophobicContact CB-CE1 4.12Å; K287-Y315 HydrophobicContact CD-CD1 3.96Å; K287-Y315 PolarHBondContact NZ-O 2.9Å; K287-Q396 PolarHBondContact O-NE2 3.23Å; K287-T402 HydrophobicContact CB-CG2 3.97Å; K287-T402 HydrophobicContact CG-CG2 4.36Å; K287-D405 WeakPolarHBondContact CE-OD2 3.21Å; K287-D405 IonicContact NZ-OD1 3.91Å; K287-D405 IonicContact NZ-OD2 3.64Å; K287-D405 PolarHBondContact NZ-OD2 2.92Å |
| 288 | N | 98.4 | Very high | 97 | Very high | 17 Ų | 17 | 63.2 Ų | 63.2 | 9% | 0.091 | 30% | 0.299 | C | S | . | . | trans | -93.7 | 125.9 | 179.4 | -63.6 | -44.2 | 0 | 0 | 0 | 111.5 | G279 N284 R285 P286 Y290 L294 Y315 N317 | G279-N288 PolarHBondContact O-ND2 3.07Å; N284-N288 PolarHBondContact O-ND2 3.09Å; R285-N288 PolarHBondContact O-N 2.9Å; R285-N288 VanDerWaalsContact O-N 3.15Å; P286-N288 VanDerWaalsContact C-N 3.29Å; N288-Y290 VanDerWaalsContact C-N 3.28Å; N288-Y290 PolarHBondContact O-N 2.96Å; N288-L294 HydrophobicContact CB-CD2 4.15Å; N288-L294 VanDerWaalsContact ND2-CD2 3.26Å; N288-L294 WeakPolarHBondContact ND2-CD2 3.32Å; N288-Y315 PolarHBondContact ND2-OH 3.45Å; N288-Y315 WeakPolarHBondContact OD1-CE1 3.33Å; N288-Y315 PolarHBondContact OD1-OH 3.26Å; N288-N317 PolarHBondContact OD1-ND2 3.44Å | ||
| 289 | R | 97.6 | Very high | 97 | Very high | 42 Ų | 42 | 62 Ų | 62 | 16% | 0.158 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -65.7 | -34.2 | 174.3 | -179.4 | 178.9 | -70.8 | -79.6 | -4.5 | 112.1 | G397 C398 L399 S430 K431 S530 | R289-G397 VanDerWaalsContact CZ-O 3.32Å; R289-G397 PolarHBondContact NE-O 3.39Å; R289-G397 PolarHBondContact NH2-O 3.32Å; R289-C398 PolarHBondContact NH2-O 2.81Å; R289-L399 HydrophobicContact CB-CD1 4.48Å; R289-L399 HydrophobicContact CB-CD2 4.15Å; R289-L399 HydrophobicContact CB-CG 4.45Å; R289-L399 HydrophobicContact CG-CD2 4.24Å; R289-S430 PolarHBondContact NH1-O 3.39Å; R289-K431 PolarHBondContact NE-O 3.07Å; R289-K431 PolarHBondContact NH1-O 3.38Å; R289-K431 PolarHBondContact NH2-O 3.02Å; R289-S530 VanDerWaalsContact CD-O 3.32Å; R289-S530 WeakPolarHBondContact CD-O 3.47Å |
| 290 | Y | 97.1 | Very high | 97 | Very high | 76 Ų | 76 | 64 Ų | 64 | 30% | 0.298 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -129.6 | 128.3 | -179.9 | -60.7 | -79.4 | 0 | 0 | 0 | 110.3 | N288 N292 I293 S530 A531 | N288-Y290 VanDerWaalsContact C-N 3.28Å; N288-Y290 PolarHBondContact O-N 2.96Å; Y290-N292 PolarHBondContact O-N 3.45Å; Y290-N292 VanDerWaalsContact O-N 3.1Å; Y290-I293 HydrophobicContact CD2-CD1 3.92Å; Y290-I293 HydrophobicContact CG-CD1 3.91Å; Y290-I293 HydrophobicContact CG-CG1 4.44Å; Y290-I293 PolarHBondContact O-N 3.28Å; Y290-S530 PolarHBondContact OH-OG 2.89Å; Y290-A531 HydrophobicContact CD2-CB 3.85Å; Y290-A531 HydrophobicContact CE2-CB 3.61Å |
| 291 | K | 94.5 | Very high | 97 | Very high | 196 Ų | 196 | 59.5 Ų | 59.5 | 85% | 0.852 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -25 | -177.6 | 65.2 | 179.4 | -178.9 | 178.4 | 0 | 114.6 | ||
| 292 | N | 91.2 | Very high | 97 | Very high | 113 Ų | 113 | 58.7 Ų | 58.7 | 60% | 0.604 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.5 | 4.4 | -173.9 | 64.9 | -42 | 0 | 0 | 0 | 113.8 | Y290 | Y290-N292 PolarHBondContact O-N 3.45Å; Y290-N292 VanDerWaalsContact O-N 3.1Å |
| 293 | I | 95.3 | Very high | 97.1 | Very high | 21 Ų | 21 | 54.6 Ų | 54.6 | 11% | 0.108 | 26% | 0.258 | C | S | . | . | trans | -117.6 | 90.1 | 176.8 | -52.3 | 176.8 | 0 | 0 | 0 | 106.7 | Y290 N317 A531 I533 | Y290-I293 HydrophobicContact CD2-CD1 3.92Å; Y290-I293 HydrophobicContact CG-CD1 3.91Å; Y290-I293 HydrophobicContact CG-CG1 4.44Å; Y290-I293 PolarHBondContact O-N 3.28Å; I293-N317 PolarHBondContact O-ND2 3.05Å; I293-A531 HydrophobicContact CD1-CB 3.63Å; I293-I533 HydrophobicContact CD1-CD1 3.91Å; I293-I533 HydrophobicContact CG1-CD1 4.32Å; I293-I533 HydrophobicContact CG2-CD1 3.92Å; I293-I533 HydrophobicContact CG2-CG1 4.38Å; I293-I533 HydrophobicContact CG2-CG2 4.1Å | ||
| 294 | L | 97 | Very high | 97 | Very high | 10 Ų | 10 | 56.5 Ų | 56.5 | 5% | 0.052 | 26% | 0.262 | C | S | . | . | trans | -116.8 | 148.9 | -173.5 | -57.3 | -179.4 | 0 | 0 | 0 | 109.3 | R276 Q280 N288 | R276-L294 HydrophobicContact CB-CB 4.1Å; R276-L294 HydrophobicContact CB-CD1 4.4Å; R276-L294 HydrophobicContact CG-CB 4.34Å; Q280-L294 HydrophobicContact CG-CD1 3.47Å; Q280-L294 VanDerWaalsContact CG-CD1 3.47Å; N288-L294 HydrophobicContact CB-CD2 4.15Å; N288-L294 VanDerWaalsContact ND2-CD2 3.26Å; N288-L294 WeakPolarHBondContact ND2-CD2 3.32Å | ||
| 295 | P | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | trans | -67.9 | 146.8 | 175.9 | 32.5 | -35.7 | 0 | 0 | 0 | 110.2 | R276 R300 Y315 N319 | R276-P295 WeakPolarHBondContact CG-O 3.31Å; P295-R300 HydrophobicContact CB-CB 4.1Å; P295-R300 HydrophobicContact CG-CB 4.4Å; P295-Y315 VanDerWaalsContact CD-OH 3.26Å; P295-Y315 WeakPolarHBondContact CD-OH 3.44Å; P295-Y315 HydrophobicContact CG-CE2 3.9Å; P295-N319 WeakPolarHBondContact CA-OD1 3.39Å; P295-N319 WeakPolarHBondContact CB-OD1 3.29Å | ||
| 296 | F | 96.7 | Very high | 96.2 | Very high | 5 Ų | 5 | 55.5 Ų | 55.5 | 2% | 0.022 | 27% | 0.273 | C | S | . | . | trans | -66.9 | 139.1 | 165.3 | -63.2 | -36.7 | 0 | 0 | 0 | 110.7 | Y274 S275 R276 H298 T299 R300 N319 R568 Q570 S572 | Y274-F296 HydrophobicContact CD2-CD2 4.04Å; Y274-F296 HydrophobicContact CD2-CE1 4.3Å; Y274-F296 AromaticContact CD2-CE2 3.7Å; Y274-F296 HydrophobicContact CD2-CE2 3.7Å; Y274-F296 HydrophobicContact CD2-CG 4.49Å; Y274-F296 AromaticContact CD2-CZ 3.84Å; Y274-F296 HydrophobicContact CD2-CZ 3.84Å; Y274-F296 HydrophobicContact CE2-CE2 4.47Å; Y274-F296 HydrophobicContact CG-CD2 4.5Å; S275-F296 WeakPolarHBondContact O-CA 3.37Å; R276-F296 HydrophobicContact CG-CD1 3.8Å; R276-F296 HydrophobicContact CG-CE1 4.4Å; F296-H298 VanDerWaalsContact C-N 3.3Å; F296-H298 VanDerWaalsContact CB-CE1 3.48Å; F296-H298 WeakPolarHBondContact CB-CE1 3.4Å; F296-H298 AromaticContact CD2-CE1 3.71Å; F296-H298 AromaticContact CG-CE1 3.83Å; F296-H298 PolarHBondContact O-N 2.91Å; F296-T299 PolarHBondContact O-N 3.09Å; F296-R300 WeakPolarHBondContact O-CB 3.24Å; F296-R300 PolarHBondContact O-N 2.99Å; F296-N319 PolarHBondContact N-ND2 3.49Å; F296-N319 VanDerWaalsContact N-ND2 3.14Å; F296-N319 PolarHBondContact O-ND2 3.27Å; F296-R568 VanDerWaalsContact CE2-O 3.27Å; F296-R568 WeakPolarHBondContact CE2-O 3.41Å; F296-Q570 WeakPolarHBondContact CD2-O 3.42Å; F296-S572 VanDerWaalsContact CE2-N 3.34Å; F296-S572 VanDerWaalsContact CZ-CB 3.49Å; F296-S572 VanDerWaalsContact CZ-N 3.34Å | ||
| 297 | D | 97.3 | Very high | 95.9 | Very high | 35 Ų | 35 | 53.1 Ų | 53.1 | 19% | 0.187 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -32.8 | -174.7 | -63.3 | -27.3 | 0 | 0 | 0 | 112.2 | S275 R276 K277 E278 R300 | S275-D297 WeakPolarHBondContact CB-OD2 3.49Å; S275-D297 PolarHBondContact O-N 3.01Å; S275-D297 PolarHBondContact OG-OD2 3.46Å; R276-D297 VanDerWaalsContact C-OD1 3.28Å; R276-D297 WeakPolarHBondContact CA-OD1 3.48Å; R276-D297 PolarHBondContact N-OD2 2.82Å; K277-D297 PolarHBondContact N-OD1 3.28Å; K277-D297 VanDerWaalsContact N-OD1 3.13Å; K277-D297 PolarHBondContact N-OD2 3.28Å; E278-D297 WeakPolarHBondContact CB-OD1 3.19Å; E278-D297 PolarHBondContact N-OD1 3.01Å; D297-R300 WeakPolarHBondContact O-CG 3.48Å |
| 298 | H | 95.5 | Very high | 95.4 | Very high | 108 Ų | 108 | 57.7 Ų | 57.7 | 50% | 0.5 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -20.8 | -175.4 | 65.4 | -73.9 | 0 | 0 | 0 | 114.4 | Y274 F296 S569 | Y274-H298 AromaticContact CD1-CE1 3.64Å; Y274-H298 AromaticContact CD2-CE1 3.84Å; Y274-H298 AromaticContact CG-CE1 3.44Å; Y274-H298 VanDerWaalsContact CG-CE1 3.44Å; F296-H298 VanDerWaalsContact C-N 3.3Å; F296-H298 VanDerWaalsContact CB-CE1 3.48Å; F296-H298 WeakPolarHBondContact CB-CE1 3.4Å; F296-H298 AromaticContact CD2-CE1 3.71Å; F296-H298 AromaticContact CG-CE1 3.83Å; F296-H298 PolarHBondContact O-N 2.91Å; H298-S569 PolarHBondContact NE2-O 3.28Å |
| 299 | T | 96.8 | Very high | 95.1 | Very high | 23 Ų | 23 | 63.1 Ų | 63.1 | 14% | 0.141 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.4 | 5.6 | 178.3 | 51.5 | 0 | 0 | 0 | 0 | 112.4 | F296 N319 L320 Q570 | F296-T299 PolarHBondContact O-N 3.09Å; T299-N319 CarbonylContact O-C 3.54Å; T299-N319 VanDerWaalsContact O-CA 3.24Å; T299-N319 WeakPolarHBondContact O-CA 3.24Å; T299-N319 PolarHBondContact O-ND2 2.98Å; T299-N319 PolarHBondContact OG1-ND2 3.34Å; T299-L320 PolarHBondContact O-N 3.11Å; T299-Q570 HydrophobicContact CG2-CB 4.37Å; T299-Q570 PolarHBondContact OG1-O 3.08Å |
| 300 | R | 98.1 | Very high | 94.9 | Very high | 43 Ų | 43 | 64.4 Ų | 64.4 | 16% | 0.162 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 148.5 | -178.8 | 73.9 | -178.1 | -179.2 | 97.8 | -11.5 | 110.6 | P295 F296 D297 V302 D314 A318 N319 | P295-R300 HydrophobicContact CB-CB 4.1Å; P295-R300 HydrophobicContact CG-CB 4.4Å; F296-R300 WeakPolarHBondContact O-CB 3.24Å; F296-R300 PolarHBondContact O-N 2.99Å; D297-R300 WeakPolarHBondContact O-CG 3.48Å; R300-V302 HydrophobicContact CG-CG2 4.23Å; R300-D314 IonicContact CZ-OD2 2.9Å; R300-D314 PolarHBondContact NH1-O 3.24Å; R300-D314 IonicContact NH1-OD2 2.8Å; R300-D314 PolarHBondContact NH1-OD2 2.9Å; R300-D314 IonicContact NH2-OD2 3.34Å; R300-D314 PolarHBondContact NH2-OD2 3.23Å; R300-A318 VanDerWaalsContact CA-O 3.3Å; R300-A318 WeakPolarHBondContact CA-O 3.38Å; R300-N319 PolarHBondContact N-ND2 2.91Å |
| 301 | I | 98.6 | Very high | 94.8 | Very high | 6 Ų | 6 | 64.6 Ų | 64.6 | 3% | 0.031 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 128.9 | 165.2 | -56 | -62 | 0 | 0 | 0 | 108.9 | I316 A318 L320 I393 M409 E413 | I301-I316 HydrophobicContact CB-CG2 4.05Å; I301-I316 HydrophobicContact CG2-CG2 4.28Å; I301-A318 HydrophobicContact CB-CB 4.26Å; I301-A318 HydrophobicContact CG1-CB 3.95Å; I301-A318 PolarHBondContact N-O 3.19Å; I301-L320 HydrophobicContact CD1-CB 3.8Å; I301-L320 HydrophobicContact CD1-CD1 4.46Å; I301-I393 HydrophobicContact CD1-CD1 4.11Å; I301-I393 HydrophobicContact CD1-CG1 4.05Å; I301-I393 HydrophobicContact CG1-CD1 4.46Å; I301-I393 HydrophobicContact CG1-CG1 4.42Å; I301-I393 HydrophobicContact CG1-CG2 4.04Å; I301-M409 HydrophobicContact CB-SD 4.31Å; I301-M409 HydrophobicContact CG1-SD 4.17Å; I301-M409 HydrophobicContact CG2-CG 3.95Å; I301-M409 HydrophobicContact CG2-SD 4.23Å; I301-E413 HydrophobicContact CG2-CG 4.4Å |
| 302 | V | 98.3 | Very high | 94.8 | Very high | 68 Ų | 68 | 55.4 Ų | 55.4 | 41% | 0.412 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 115.6 | 174.8 | -171.4 | 0 | 0 | 0 | 0 | 107.8 | R300 D314 Q412 | R300-V302 HydrophobicContact CG-CG2 4.23Å; V302-D314 HydrophobicContact CG1-CB 3.93Å; V302-Q412 PolarHBondContact O-NE2 2.72Å |
| 303 | L | 98.4 | Very high | 95.1 | Very high | 6 Ų | 6 | 51 Ų | 51 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | trans | -69.8 | 134.9 | 176.6 | -60.6 | -178.6 | 0 | 0 | 0 | 110.3 | D314 I316 D405 M409 F447 | L303-D314 PolarHBondContact N-O 2.82Å; L303-I316 HydrophobicContact CD1-CB 4.09Å; L303-I316 HydrophobicContact CD1-CG2 4.36Å; L303-I316 HydrophobicContact CD2-CB 4.44Å; L303-I316 HydrophobicContact CD2-CG2 3.89Å; L303-I316 HydrophobicContact CG-CB 4.22Å; L303-I316 HydrophobicContact CG-CG2 3.94Å; L303-D405 HydrophobicContact CD1-CB 3.73Å; L303-M409 HydrophobicContact CD2-CB 3.82Å; L303-F447 HydrophobicContact CB-CE2 4.17Å; L303-F447 HydrophobicContact CB-CZ 3.88Å; L303-F447 HydrophobicContact CD1-CE1 4.33Å; L303-F447 HydrophobicContact CD1-CZ 3.72Å; L303-F447 HydrophobicContact CG-CZ 4.43Å | ||
| 304 | R | 95.5 | Very high | 95.2 | Very high | 128 Ų | 128 | 51.9 Ų | 51.9 | 48% | 0.483 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -105.8 | 149.2 | -177.8 | -67.4 | 176.1 | -89.3 | 175.3 | -4.8 | 109.3 | G306 Q412 E413 F447 | R304-G306 PolarHBondContact O-N 2.79Å; R304-Q412 PolarHBondContact NH2-O 3.38Å; R304-E413 IonicContact CZ-OE1 3.62Å; R304-E413 IonicContact NH2-OE1 2.71Å; R304-E413 PolarHBondContact NH2-OE1 3.05Å; R304-E413 IonicContact NH2-OE2 3.47Å; R304-F447 WeakPolarHBondContact O-CE2 3.07Å |
| 305 | N | 90 | Very high | 95.2 | Very high | 125 Ų | 125 | 51.4 Ų | 51.4 | 67% | 0.668 | 28% | 0.284 | S | S | * | . | S | Bend | trans | 63 | 24.2 | 178.6 | -45.5 | -54.5 | 0 | 0 | 0 | 115 | F447 | N305-F447 WeakPolarHBondContact O-CD2 3.3Š|
| 306 | G | 90.2 | Very high | 95.3 | Very high | 18 Ų | 18 | 51.8 Ų | 51.8 | 19% | 0.186 | 29% | 0.286 | C | S | . | . | trans | -66.3 | 161.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R304 F447 | R304-G306 PolarHBondContact O-N 2.79Å; G306-F447 VanDerWaalsContact N-CE2 3.29Å | ||
| 307 | P | 90.2 | Very high | 95.4 | Very high | 41 Ų | 41 | 51.6 Ų | 51.6 | 27% | 0.266 | 29% | 0.285 | S | S | . | . | trans | -55.7 | 122.2 | 173 | -22.7 | 32.8 | 0 | 0 | 0 | 110.2 | D309 V310 S313 | P307-D309 WeakPolarHBondContact CB-OD1 3.21Å; P307-D309 PolarHBondContact O-N 3.48Å; P307-V310 HydrophobicContact CB-CB 4.03Å; P307-V310 HydrophobicContact CB-CG2 3.68Å; P307-V310 HydrophobicContact CG-CG2 4.31Å; P307-V310 PolarHBondContact O-N 2.91Å; P307-S313 WeakPolarHBondContact O-CB 3.25Å; P307-S313 PolarHBondContact O-OG 3.43Å | ||
| 308 | P | 88.7 | Confident | 95.4 | Very high | 131 Ų | 131 | 50 Ų | 50 | 85% | 0.851 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -22.2 | -173.1 | 28.4 | -35.1 | 0 | 0 | 0 | 112.9 | ||
| 309 | D | 92.3 | Very high | 95.6 | Very high | 130 Ų | 130 | 44.8 Ų | 44.8 | 70% | 0.695 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -7.8 | 179.3 | 61.8 | -50.4 | 0 | 0 | 0 | 113.5 | P307 P311 | P307-D309 WeakPolarHBondContact CB-OD1 3.21Å; P307-D309 PolarHBondContact O-N 3.48Å; D309-P311 WeakPolarHBondContact O-CD 3.42Å |
| 310 | V | 92.7 | Very high | 95.7 | Very high | 69 Ų | 69 | 45.7 Ų | 45.7 | 42% | 0.418 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -101.7 | 107.1 | -179.6 | 178.6 | 0 | 0 | 0 | 0 | 109.7 | P307 G312 S313 | P307-V310 HydrophobicContact CB-CB 4.03Å; P307-V310 HydrophobicContact CB-CG2 3.68Å; P307-V310 HydrophobicContact CG-CG2 4.31Å; P307-V310 PolarHBondContact O-N 2.91Å; V310-G312 PolarHBondContact O-N 2.86Å; V310-S313 VanDerWaalsContact O-CB 3.25Å; V310-S313 WeakPolarHBondContact O-CB 3.47Å; V310-S313 PolarHBondContact O-N 3.08Å; V310-S313 VanDerWaalsContact O-N 3.16Å; V310-S313 PolarHBondContact O-OG 2.76Å; V310-S313 VanDerWaalsContact O-OG 3.08Å |
| 311 | P | 94.7 | Very high | 95.6 | Very high | 81 Ų | 81 | 43.6 Ų | 43.6 | 53% | 0.526 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 135.4 | 175.2 | -23.1 | 34.3 | 0 | 0 | 0 | 111.5 | E283 D309 S313 | E283-P311 HydrophobicContact CB-CB 4.4Å; E283-P311 HydrophobicContact CG-CB 3.98Å; D309-P311 WeakPolarHBondContact O-CD 3.42Å; P311-S313 VanDerWaalsContact C-N 3.32Å |
| 312 | G | 95.9 | Very high | 95.3 | Very high | 3 Ų | 3 | 48 Ų | 48 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | 11.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | N284 K287 V310 D314 Y315 | N284-G312 WeakPolarHBondContact OD1-CA 3.4Å; K287-G312 PolarHBondContact NZ-O 2.8Å; V310-G312 PolarHBondContact O-N 2.86Å; G312-D314 PolarHBondContact O-N 3.46Å; G312-Y315 WeakPolarHBondContact O-CB 3.43Å; G312-Y315 PolarHBondContact O-N 3.02Å; G312-Y315 VanDerWaalsContact O-N 3.16Å |
| 313 | S | 96.3 | Very high | 94.8 | Very high | 20 Ų | 20 | 44.7 Ų | 44.7 | 14% | 0.14 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -23.1 | 172 | 61.9 | 0 | 0 | 0 | 0 | 113 | P307 V310 P311 Y315 F447 | P307-S313 WeakPolarHBondContact O-CB 3.25Å; P307-S313 PolarHBondContact O-OG 3.43Å; V310-S313 VanDerWaalsContact O-CB 3.25Å; V310-S313 WeakPolarHBondContact O-CB 3.47Å; V310-S313 PolarHBondContact O-N 3.08Å; V310-S313 VanDerWaalsContact O-N 3.16Å; V310-S313 PolarHBondContact O-OG 2.76Å; V310-S313 VanDerWaalsContact O-OG 3.08Å; P311-S313 VanDerWaalsContact C-N 3.32Å; S313-Y315 VanDerWaalsContact C-N 3.31Å; S313-F447 WeakPolarHBondContact O-CZ 3.3Å |
| 314 | D | 97.5 | Very high | 93.6 | Very high | 39 Ų | 39 | 47.4 Ų | 47.4 | 21% | 0.209 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -5.8 | 175.3 | 77.7 | -53.4 | 0 | 0 | 0 | 113.5 | R300 V302 L303 G312 | R300-D314 IonicContact CZ-OD2 2.9Å; R300-D314 PolarHBondContact NH1-O 3.24Å; R300-D314 IonicContact NH1-OD2 2.8Å; R300-D314 PolarHBondContact NH1-OD2 2.9Å; R300-D314 IonicContact NH2-OD2 3.34Å; R300-D314 PolarHBondContact NH2-OD2 3.23Å; V302-D314 HydrophobicContact CG1-CB 3.93Å; L303-D314 PolarHBondContact N-O 2.82Å; G312-D314 PolarHBondContact O-N 3.46Å |
| 315 | Y | 98.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 130.6 | -170.2 | -179.2 | -94.8 | 0 | 0 | 0 | 113.2 | E278 G279 N284 K287 N288 P295 G312 S313 | E278-Y315 HydrophobicContact CB-CD2 4.31Å; E278-Y315 HydrophobicContact CB-CE2 4.43Å; G279-Y315 VanDerWaalsContact CA-CE2 3.49Å; G279-Y315 VanDerWaalsContact CA-OH 3.25Å; G279-Y315 WeakPolarHBondContact CA-OH 3.28Å; N284-Y315 HydrophobicContact CB-CD1 3.57Å; N284-Y315 HydrophobicContact CB-CD2 4.19Å; N284-Y315 HydrophobicContact CB-CE1 3.76Å; N284-Y315 HydrophobicContact CB-CE2 4.36Å; N284-Y315 HydrophobicContact CB-CG 3.8Å; N284-Y315 VanDerWaalsContact CG-CB 3.44Å; N284-Y315 WeakPolarHBondContact ND2-CB 3.27Å; N284-Y315 WeakPolarHBondContact ND2-CD2 3.49Å; N284-Y315 WeakPolarHBondContact OD1-CB 3.36Å; K287-Y315 HydrophobicContact CB-CD1 4.14Å; K287-Y315 HydrophobicContact CB-CE1 4.12Å; K287-Y315 HydrophobicContact CD-CD1 3.96Å; K287-Y315 PolarHBondContact NZ-O 2.9Å; N288-Y315 PolarHBondContact ND2-OH 3.45Å; N288-Y315 WeakPolarHBondContact OD1-CE1 3.33Å; N288-Y315 PolarHBondContact OD1-OH 3.26Å; P295-Y315 VanDerWaalsContact CD-OH 3.26Å; P295-Y315 WeakPolarHBondContact CD-OH 3.44Å; P295-Y315 HydrophobicContact CG-CE2 3.9Å; G312-Y315 WeakPolarHBondContact O-CB 3.43Å; G312-Y315 PolarHBondContact O-N 3.02Å; G312-Y315 VanDerWaalsContact O-N 3.16Å; S313-Y315 VanDerWaalsContact C-N 3.31Å |
| 316 | I | 98.6 | Very high | 89.9 | Confident | 8 Ų | 8 | 44.8 Ų | 44.8 | 4% | 0.041 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 145.6 | 162 | -173.5 | 167.8 | 0 | 0 | 0 | 109.3 | I301 L303 A318 D405 F406 M409 | I301-I316 HydrophobicContact CB-CG2 4.05Å; I301-I316 HydrophobicContact CG2-CG2 4.28Å; L303-I316 HydrophobicContact CD1-CB 4.09Å; L303-I316 HydrophobicContact CD1-CG2 4.36Å; L303-I316 HydrophobicContact CD2-CB 4.44Å; L303-I316 HydrophobicContact CD2-CG2 3.89Å; L303-I316 HydrophobicContact CG-CB 4.22Å; L303-I316 HydrophobicContact CG-CG2 3.94Å; I316-A318 HydrophobicContact CG2-CB 4.17Å; I316-A318 PolarHBondContact O-N 3.14Å; I316-D405 HydrophobicContact CD1-CB 4.17Å; I316-F406 HydrophobicContact CD1-CB 4.48Å; I316-M409 HydrophobicContact CD1-CB 4.17Å; I316-M409 HydrophobicContact CD1-CE 4.23Å; I316-M409 HydrophobicContact CD1-SD 3.92Å; I316-M409 HydrophobicContact CG2-SD 4.22Å |
| 317 | N | 98.7 | Very high | 87.6 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.011 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 75.5 | 175.5 | -170.3 | -35.4 | 0 | 0 | 0 | 111.3 | N288 I293 T395 Q396 R571 | N288-N317 PolarHBondContact OD1-ND2 3.44Å; I293-N317 PolarHBondContact O-ND2 3.05Å; N317-T395 PolarHBondContact O-OG1 3.4Å; N317-Q396 HydrophobicContact CB-CG 4.13Å; N317-Q396 PolarHBondContact ND2-OE1 2.9Å; N317-Q396 PolarHBondContact O-N 3.46Å; N317-R571 PolarHBondContact OD1-NH1 3.33Å; N317-R571 PolarHBondContact OD1-NH2 2.97Å |
| 318 | A | 98.8 | Very high | 85.2 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 148.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | R300 I301 I316 I393 S394 M409 | R300-A318 VanDerWaalsContact CA-O 3.3Å; R300-A318 WeakPolarHBondContact CA-O 3.38Å; I301-A318 HydrophobicContact CB-CB 4.26Å; I301-A318 HydrophobicContact CG1-CB 3.95Å; I301-A318 PolarHBondContact N-O 3.19Å; I316-A318 HydrophobicContact CG2-CB 4.17Å; I316-A318 PolarHBondContact O-N 3.14Å; A318-I393 HydrophobicContact CB-CG2 3.93Å; A318-S394 CarbonylContact C-O 3.56Å; A318-S394 VanDerWaalsContact CA-O 3.3Å; A318-S394 WeakPolarHBondContact CA-O 3.3Å; A318-M409 HydrophobicContact CB-SD 3.66Å |
| 319 | N | 98.6 | Very high | 82.5 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 139.1 | 170 | -66.7 | 95.2 | 0 | 0 | 0 | 110.4 | P295 F296 T299 R300 I393 S394 R571 | P295-N319 WeakPolarHBondContact CA-OD1 3.39Å; P295-N319 WeakPolarHBondContact CB-OD1 3.29Å; F296-N319 PolarHBondContact N-ND2 3.49Å; F296-N319 VanDerWaalsContact N-ND2 3.14Å; F296-N319 PolarHBondContact O-ND2 3.27Å; T299-N319 CarbonylContact O-C 3.54Å; T299-N319 VanDerWaalsContact O-CA 3.24Å; T299-N319 WeakPolarHBondContact O-CA 3.24Å; T299-N319 PolarHBondContact O-ND2 2.98Å; T299-N319 PolarHBondContact OG1-ND2 3.34Å; R300-N319 PolarHBondContact N-ND2 2.91Å; N319-I393 WeakPolarHBondContact O-CA 3.35Å; N319-S394 PolarHBondContact N-O 3.41Å; N319-S394 PolarHBondContact O-N 2.9Å; N319-R571 HydrophobicContact CB-CB 4.07Å; N319-R571 HydrophobicContact CB-CG 4.36Å; N319-R571 WeakPolarHBondContact OD1-CG 3.38Å; N319-R571 PolarHBondContact OD1-NH1 2.84Å |
| 320 | L | 98.3 | Very high | 79.6 | Confident | 41 Ų | 41 | 49.1 Ų | 49.1 | 22% | 0.215 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 134.6 | 161 | -173.4 | 64.6 | 0 | 0 | 0 | 108.7 | T299 I301 E322 S391 I393 P524 | T299-L320 PolarHBondContact O-N 3.11Å; I301-L320 HydrophobicContact CD1-CB 3.8Å; I301-L320 HydrophobicContact CD1-CD1 4.46Å; L320-E322 HydrophobicContact CD1-CG 4.2Å; L320-E322 HydrophobicContact CD2-CG 3.95Å; L320-E322 HydrophobicContact CG-CG 3.89Å; L320-S391 WeakPolarHBondContact CD1-OG 3.08Å; L320-I393 HydrophobicContact CD1-CG1 4.26Å; L320-P524 HydrophobicContact CD1-CB 4.48Å; L320-P524 HydrophobicContact CD1-CG 4.26Å |
| 321 | I | 97.1 | Very high | 76.5 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 105.3 | 172.5 | -61.1 | 178.8 | 0 | 0 | 0 | 106.8 | S391 Y392 I540 L567 Q570 M574 | I321-S391 CarbonylContact O-C 3.56Å; I321-S391 WeakPolarHBondContact O-CA 3.49Å; I321-Y392 HydrophobicContact CG2-CD2 4.35Å; I321-Y392 PolarHBondContact N-O 3.01Å; I321-Y392 PolarHBondContact O-N 3.05Å; I321-I540 HydrophobicContact CD1-CD1 3.91Å; I321-L567 HydrophobicContact CD1-CD2 4.34Å; I321-L567 HydrophobicContact CG2-CD2 3.62Å; I321-Q570 HydrophobicContact CG1-CB 4.17Å; I321-M574 HydrophobicContact CD1-CE 3.66Å |
| 322 | E | 92.8 | Very high | 73.5 | Confident | 97 Ų | 97 | 54.1 Ų | 54.1 | 45% | 0.453 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 130.8 | 177.4 | -79.2 | -176.6 | 145 | 0 | 0 | 110.7 | L320 Q570 | L320-E322 HydrophobicContact CD1-CG 4.2Å; L320-E322 HydrophobicContact CD2-CG 3.95Å; L320-E322 HydrophobicContact CG-CG 3.89Å; E322-Q570 PolarHBondContact O-NE2 3.04Å; E322-Q570 PolarHBondContact O-OE1 2.82Å |
| 323 | V | 87.1 | Confident | 70.6 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 103.2 | 165.4 | 179.5 | 0 | 0 | 0 | 0 | 105.6 | F385 K389 R390 L544 M566 | V323-F385 HydrophobicContact CG1-CB 3.45Å; V323-F385 VanDerWaalsContact CG1-CB 3.45Å; V323-F385 HydrophobicContact CG1-CD1 3.98Å; V323-F385 HydrophobicContact CG1-CD2 3.84Å; V323-F385 HydrophobicContact CG1-CG 3.48Å; V323-F385 VanDerWaalsContact CG1-CG 3.48Å; V323-K389 CarbonylContact O-C 3.57Å; V323-K389 VanDerWaalsContact O-CA 3.28Å; V323-K389 WeakPolarHBondContact O-CA 3.25Å; V323-R390 PolarHBondContact N-O 2.7Å; V323-R390 PolarHBondContact O-N 2.77Å; V323-L544 HydrophobicContact CB-CD2 3.97Å; V323-L544 HydrophobicContact CG1-CD2 4.3Å; V323-L544 HydrophobicContact CG2-CD1 3.78Å; V323-L544 HydrophobicContact CG2-CD2 3.63Å; V323-L544 HydrophobicContact CG2-CG 4.37Å; V323-M566 HydrophobicContact CG2-CE 3.61Å; V323-M566 HydrophobicContact CG2-SD 3.96Å |
| 324 | S | 73.8 | Confident | 67.6 | Low | 63 Ų | 63 | 67.5 Ų | 67.5 | 44% | 0.441 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 118.7 | 169.5 | 71 | 0 | 0 | 0 | 0 | 108.8 | ||
| 325 | Y | 59.5 | Low | 64.5 | Low | 62 Ų | 62 | 69.7 Ų | 69.7 | 24% | 0.243 | 36% | 0.359 | C | S | . | . | trans | -100.6 | 109.3 | 165 | -173.5 | -93.1 | 0 | 0 | 0 | 107.1 | E327 V378 N386 | Y325-E327 HydrophobicContact CD1-CG 4.19Å; Y325-E327 HydrophobicContact CE1-CB 4.29Å; Y325-E327 HydrophobicContact CE1-CG 3.59Å; Y325-V378 HydrophobicContact CE2-CG1 4.23Å; Y325-N386 HydrophobicContact CD1-CB 3.93Å; Y325-N386 WeakPolarHBondContact CD1-OD1 3.42Å; Y325-N386 HydrophobicContact CE1-CB 3.98Å; Y325-N386 WeakPolarHBondContact CE1-OD1 3.37Å; Y325-N386 HydrophobicContact CG-CB 4.34Å | ||
| 326 | Q | 46.7 | Very low | 61.5 | Low | 135 Ų | 135 | 74.3 Ų | 74.3 | 63% | 0.631 | 39% | 0.387 | S | S | * | . | trans | -82.7 | 118.6 | 158.9 | -70.6 | -176.8 | -12.3 | 0 | 0 | 105.8 | F328 | Q326-F328 PolarHBondContact O-N 3.09Š| ||
| 327 | E | 42.4 | Very low | 58.5 | Low | 124 Ų | 124 | 80.5 Ų | 80.5 | 58% | 0.579 | 42% | 0.415 | S | S | * | . | trans | -56.3 | 101 | 151.8 | -82.3 | -179.4 | 171.2 | 0 | 0 | 104 | Y325 S329 N386 | Y325-E327 HydrophobicContact CD1-CG 4.19Å; Y325-E327 HydrophobicContact CE1-CB 4.29Å; Y325-E327 HydrophobicContact CE1-CG 3.59Å; E327-S329 PolarHBondContact O-N 3.03Å; E327-N386 PolarHBondContact OE1-ND2 2.88Å | ||
| 328 | F | 39.5 | Very low | 55.7 | Low | 106 Ų | 106 | 87.5 Ų | 87.5 | 47% | 0.465 | 45% | 0.448 | S | S | . | . | trans | -61.9 | 86.5 | 145.1 | -65 | -75.8 | 0 | 0 | 0 | 102.7 | Q326 C330 F376 V378 | Q326-F328 PolarHBondContact O-N 3.09Å; F328-C330 VanDerWaalsContact C-N 3.31Å; F328-C330 PolarHBondContact O-N 2.9Å; F328-F376 AromaticContact CE1-CD1 3.68Å; F328-F376 HydrophobicContact CE1-CD1 3.68Å; F328-F376 AromaticContact CE1-CE1 3.75Å; F328-F376 HydrophobicContact CE1-CE1 3.75Å; F328-F376 HydrophobicContact CE2-CD1 4.05Å; F328-F376 AromaticContact CZ-CD1 3.39Å; F328-F376 HydrophobicContact CZ-CD1 3.39Å; F328-F376 AromaticContact CZ-CE1 3.67Å; F328-F376 HydrophobicContact CZ-CE1 3.67Å; F328-V378 HydrophobicContact CD2-CG2 4.45Å | ||
| 329 | S | 32.5 | Very low | 53 | Low | 91 Ų | 91 | 94.2 Ų | 94.2 | 64% | 0.636 | 48% | 0.483 | S | S | * | . | trans | -37 | 114.1 | 151.1 | 157.5 | 0 | 0 | 0 | 0 | 102.7 | E327 M331 | E327-S329 PolarHBondContact O-N 3.03Å; S329-M331 VanDerWaalsContact C-N 3.31Å; S329-M331 PolarHBondContact O-N 3.38Å | ||
| 330 | C | 30.9 | Very low | 50.1 | Low | 90 Ų | 90 | 99.8 Ų | 99.8 | 61% | 0.608 | 51% | 0.507 | S | S | * | . | trans | -31.7 | 107 | 171.6 | 173.5 | 0 | 0 | 0 | 0 | 105.2 | F328 T332 | F328-C330 VanDerWaalsContact C-N 3.31Å; F328-C330 PolarHBondContact O-N 2.9Å; C330-T332 WeakPolarHBondContact O-CA 3.35Å; C330-T332 PolarHBondContact O-N 3.22Å | ||
| 331 | M | 29.4 | Very low | 47.4 | Very low | 151 Ų | 151 | 102.3 Ų | 102.3 | 74% | 0.744 | 52% | 0.52 | S | S | * | . | trans | -59.4 | 97.2 | 170.6 | -96.6 | -80.8 | 176.1 | 0 | 0 | 100.7 | S329 Y333 V334 | S329-M331 VanDerWaalsContact C-N 3.31Å; S329-M331 PolarHBondContact O-N 3.38Å; M331-Y333 PolarHBondContact O-N 3.39Å; M331-V334 HydrophobicContact SD-CB 4.34Å; M331-V334 HydrophobicContact SD-CG2 3.9Å | ||
| 332 | T | 31.8 | Very low | 44.7 | Very low | 105 Ų | 105 | 107.4 Ų | 107.4 | 64% | 0.644 | 55% | 0.553 | S | S | * | * | trans | -61.9 | 85.4 | -165.3 | 34.3 | 0 | 0 | 0 | 0 | 106.3 | C330 V334 | C330-T332 WeakPolarHBondContact O-CA 3.35Å; C330-T332 PolarHBondContact O-N 3.22Å; T332-V334 WeakPolarHBondContact O-CA 3.49Å; T332-V334 PolarHBondContact O-N 3.42Å | ||
| 333 | Y | 34.3 | Very low | 42.2 | Very low | 224 Ų | 224 | 112.5 Ų | 112.5 | 88% | 0.878 | 57% | 0.57 | S | S | * | * | trans | 28.7 | 51.3 | -175.9 | -91.6 | -97.7 | 0 | 0 | 0 | 110.8 | M331 N335 | M331-Y333 PolarHBondContact O-N 3.39Å; Y333-N335 PolarHBondContact O-N 2.88Å | ||
| 334 | V | 32.8 | Very low | 39.9 | Very low | 80 Ų | 80 | 120 Ų | 120 | 49% | 0.485 | 60% | 0.603 | S | S | . | * | trans | -69.7 | 104.3 | -176.4 | 176.4 | 0 | 0 | 0 | 0 | 103 | M331 T332 V336 | M331-V334 HydrophobicContact SD-CB 4.34Å; M331-V334 HydrophobicContact SD-CG2 3.9Å; T332-V334 WeakPolarHBondContact O-CA 3.49Å; T332-V334 PolarHBondContact O-N 3.42Å; V334-V336 PolarHBondContact O-N 3.45Å | ||
| 335 | N | 32.2 | Very low | 38.2 | Very low | 85 Ų | 85 | 120.6 Ų | 120.6 | 46% | 0.455 | 62% | 0.619 | S | S | . | * | trans | -32.6 | 100.6 | -163.7 | -149.5 | -19.8 | 0 | 0 | 0 | 110.2 | Y333 Q337 H338 | Y333-N335 PolarHBondContact O-N 2.88Å; N335-Q337 PolarHBondContact O-N 3.24Å; N335-Q337 WeakPolarHBondContact OD1-CB 3.44Å; N335-Q337 WeakPolarHBondContact OD1-CG 3.41Å; N335-Q337 PolarHBondContact OD1-OE1 3.36Å; N335-H338 PolarHBondContact O-N 2.96Å | ||
| 336 | V | 35.4 | Very low | 37.1 | Very low | 97 Ų | 97 | 121.3 Ų | 121.3 | 59% | 0.588 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -57.2 | -14.7 | -179.3 | -177.3 | 0 | 0 | 0 | 0 | 110.3 | V334 H338 F340 | V334-V336 PolarHBondContact O-N 3.45Å; V336-H338 VanDerWaalsContact C-N 3.33Å; V336-H338 PolarHBondContact O-N 3.36Å; V336-F340 HydrophobicContact CG1-CD2 3.93Å; V336-F340 HydrophobicContact CG1-CE2 3.7Å; V336-F340 VanDerWaalsContact O-CD2 3.29Å; V336-F340 WeakPolarHBondContact O-CD2 3.13Å |
| 337 | Q | 35.8 | Very low | 36.7 | Very low | 138 Ų | 138 | 117 Ų | 117 | 65% | 0.645 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -60.7 | -32.2 | 169.7 | -63.4 | -176.9 | -25.1 | 0 | 0 | 114.3 | N335 | N335-Q337 PolarHBondContact O-N 3.24Å; N335-Q337 WeakPolarHBondContact OD1-CB 3.44Å; N335-Q337 WeakPolarHBondContact OD1-CG 3.41Å; N335-Q337 PolarHBondContact OD1-OE1 3.36Å |
| 338 | H | 39.7 | Very low | 37 | Very low | 149 Ų | 149 | 115.1 Ų | 115.1 | 69% | 0.69 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -87.2 | -21 | -172.4 | -103.3 | -78 | 0 | 0 | 0 | 115.2 | N335 V336 | N335-H338 PolarHBondContact O-N 2.96Å; V336-H338 VanDerWaalsContact C-N 3.33Å; V336-H338 PolarHBondContact O-N 3.36Å |
| 339 | L | 41.9 | Very low | 37.1 | Very low | 141 Ų | 141 | 118.6 Ų | 118.6 | 74% | 0.738 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -82.5 | -15.1 | 176.9 | -90.6 | 152.1 | 0 | 0 | 0 | 113.1 | ||
| 340 | F | 39.3 | Very low | 37.6 | Very low | 116 Ų | 116 | 119.1 Ų | 119.1 | 51% | 0.509 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -95.7 | -19.3 | -172.3 | -88.9 | -93.4 | 0 | 0 | 0 | 115.2 | V336 | V336-F340 HydrophobicContact CG1-CD2 3.93Å; V336-F340 HydrophobicContact CG1-CE2 3.7Å; V336-F340 VanDerWaalsContact O-CD2 3.29Å; V336-F340 WeakPolarHBondContact O-CD2 3.13Å |
| 341 | L | 40.7 | Very low | 38.2 | Very low | 94 Ų | 94 | 121.1 Ų | 121.1 | 49% | 0.492 | 64% | 0.644 | S | S | . | * | S | Bend | trans | -78.3 | -34.3 | -171.5 | -69.7 | 170.9 | 0 | 0 | 0 | 115.8 | ||
| 342 | P | 40 | Very low | 38.7 | Very low | 107 Ų | 107 | 120.8 Ų | 120.8 | 70% | 0.695 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -81 | -19.1 | -177 | -13.3 | 28.9 | 0 | 0 | 0 | 114.6 | ||
| 343 | Y | 40 | Very low | 38.8 | Very low | 204 Ų | 204 | 122.8 Ų | 122.8 | 80% | 0.8 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -87.1 | -16.2 | -166.6 | -133.6 | -90.8 | 0 | 0 | 0 | 114.6 | ||
| 344 | F | 40.3 | Very low | 38.9 | Very low | 158 Ų | 158 | 115.9 Ų | 115.9 | 69% | 0.693 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -118.8 | 5.4 | -179.5 | -74.9 | -77.6 | 0 | 0 | 0 | 114.4 | V346 | F344-V346 HydrophobicContact CB-CG2 4.13Å; F344-V346 VanDerWaalsContact O-CG2 3.25Å; F344-V346 WeakPolarHBondContact O-CG2 3.23Å; F344-V346 PolarHBondContact O-N 3.2Å |
| 345 | G | 37.4 | Very low | 39 | Very low | 75 Ų | 75 | 122 Ų | 122 | 77% | 0.773 | 66% | 0.657 | S | S | * | * | trans | 59.1 | 22.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 346 | V | 36.9 | Very low | 39.2 | Very low | 77 Ų | 77 | 128.5 Ų | 128.5 | 47% | 0.467 | 68% | 0.677 | S | S | . | * | trans | -96.7 | 114.7 | 179.1 | -162.6 | 0 | 0 | 0 | 0 | 107.6 | F344 D350 | F344-V346 HydrophobicContact CB-CG2 4.13Å; F344-V346 VanDerWaalsContact O-CG2 3.25Å; F344-V346 WeakPolarHBondContact O-CG2 3.23Å; F344-V346 PolarHBondContact O-N 3.2Å; V346-D350 HydrophobicContact CG1-CB 3.75Å | ||
| 347 | G | 38.6 | Very low | 39.1 | Very low | 46 Ų | 46 | 129.3 Ų | 129.3 | 47% | 0.474 | 69% | 0.686 | S | S | . | * | trans | -60.8 | 149.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | E349 D350 | G347-E349 PolarHBondContact O-N 3.22Å; G347-D350 PolarHBondContact O-N 3.48Å | ||
| 348 | A | 47 | Very low | 39 | Very low | 83 Ų | 83 | 125.6 Ų | 125.6 | 69% | 0.686 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | -12.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 349 | E | 43.3 | Very low | 39.1 | Very low | 179 Ų | 179 | 125.4 Ų | 125.4 | 84% | 0.836 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -17.4 | -177.4 | -61.8 | -171.8 | 168.8 | 0 | 0 | 114.1 | G347 L351 | G347-E349 PolarHBondContact O-N 3.22Å; E349-L351 PolarHBondContact O-N 2.86Å |
| 350 | D | 42.1 | Very low | 38.8 | Very low | 103 Ų | 103 | 124.8 Ų | 124.8 | 55% | 0.551 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -86.7 | -3.4 | -174.6 | -73.5 | -38.9 | 0 | 0 | 0 | 114.9 | V346 G347 N352 N353 | V346-D350 HydrophobicContact CG1-CB 3.75Å; G347-D350 PolarHBondContact O-N 3.48Å; D350-N352 PolarHBondContact O-N 3.03Å; D350-N353 PolarHBondContact O-N 3.37Å |
| 351 | L | 43.7 | Very low | 38.8 | Very low | 131 Ų | 131 | 123.5 Ų | 123.5 | 69% | 0.686 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -68.8 | -15.7 | 179.8 | -86.6 | 161.4 | 0 | 0 | 0 | 114 | E349 | E349-L351 PolarHBondContact O-N 2.86Š|
| 352 | N | 39.2 | Very low | 38.8 | Very low | 145 Ų | 145 | 127.1 Ų | 127.1 | 78% | 0.775 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -79.9 | -14.5 | 179.4 | -83.2 | -21.8 | 0 | 0 | 0 | 114.3 | D350 | D350-N352 PolarHBondContact O-N 3.03Š|
| 353 | N | 35.3 | Very low | 38.8 | Very low | 147 Ų | 147 | 128 Ų | 128 | 79% | 0.786 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -111.7 | 1.6 | -175.6 | -81.6 | -19.1 | 0 | 0 | 0 | 115.3 | D350 Y355 | D350-N353 PolarHBondContact O-N 3.37Å; N353-Y355 PolarHBondContact O-N 3.24Å; N353-Y355 VanDerWaalsContact O-N 3.1Å |
| 354 | A | 36.4 | Very low | 38.8 | Very low | 79 Ų | 79 | 125.2 Ų | 125.2 | 65% | 0.653 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | 36.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y356 | A354-Y356 VanDerWaalsContact C-N 3.35Š|
| 355 | Y | 34.5 | Very low | 39 | Very low | 208 Ų | 208 | 123 Ų | 123 | 82% | 0.816 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | 1.4 | 168.6 | -90.3 | -79.9 | 0 | 0 | 0 | 113.8 | N353 | N353-Y355 PolarHBondContact O-N 3.24Å; N353-Y355 VanDerWaalsContact O-N 3.1Å |
| 356 | Y | 36.6 | Very low | 39.5 | Very low | 221 Ų | 221 | 121.9 Ų | 121.9 | 87% | 0.867 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -134.5 | 71 | 179.6 | -73 | -83.6 | 0 | 0 | 0 | 112.4 | A354 | A354-Y356 VanDerWaalsContact C-N 3.35Š|
| 357 | C | 31.8 | Very low | 40.1 | Very low | 114 Ų | 114 | 123.1 Ų | 123.1 | 77% | 0.77 | 67% | 0.665 | S | S | * | * | trans | -154.9 | 109.6 | 151 | -156.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 358 | G | 34.3 | Very low | 40.2 | Very low | 61 Ų | 61 | 130.2 Ų | 130.2 | 63% | 0.629 | 68% | 0.678 | S | S | * | * | trans | -71.9 | 145.8 | -168 | 0 | 0 | 0 | 0 | 0 | 115.7 | L360 | G358-L360 VanDerWaalsContact C-N 3.28Å; G358-L360 PolarHBondContact O-N 3.4Å | ||
| 359 | D | 42.3 | Very low | 40.2 | Very low | 144 Ų | 144 | 131.2 Ų | 131.2 | 77% | 0.77 | 67% | 0.671 | S | S | * | * | S | Bend | trans | 51.4 | -24 | 149.2 | -64.6 | -24.3 | 0 | 0 | 0 | 122.4 | ||
| 360 | L | 35.6 | Very low | 40.4 | Very low | 128 Ų | 128 | 127 Ų | 127 | 67% | 0.67 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -82.9 | -31.4 | -177.1 | -121.1 | 80 | 0 | 0 | 0 | 113.7 | G358 F364 | G358-L360 VanDerWaalsContact C-N 3.28Å; G358-L360 PolarHBondContact O-N 3.4Å; L360-F364 WeakPolarHBondContact O-CD2 3.22Å |
| 361 | T | 39.7 | Very low | 40.4 | Very low | 89 Ų | 89 | 125.4 Ų | 125.4 | 55% | 0.546 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -79.2 | -32.9 | -175.4 | 45.3 | 0 | 0 | 0 | 0 | 113.3 | Q363 F364 L365 | T361-Q363 VanDerWaalsContact C-N 3.35Å; T361-Q363 PolarHBondContact O-N 3.19Å; T361-F364 PolarHBondContact O-N 3.3Å; T361-L365 WeakPolarHBondContact O-CD1 3.41Å; T361-L365 PolarHBondContact O-N 3.08Å |
| 362 | F | 39.5 | Very low | 40.5 | Very low | 170 Ų | 170 | 125.7 Ų | 125.7 | 75% | 0.746 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -68.5 | -31.3 | 178.6 | -104.8 | -88.6 | 0 | 0 | 0 | 113.2 | S366 | F362-S366 WeakPolarHBondContact O-CB 3.4Å; F362-S366 PolarHBondContact O-N 2.83Å; F362-S366 PolarHBondContact O-OG 3.45Å |
| 363 | Q | 40.4 | Very low | 40.7 | Very low | 127 Ų | 127 | 123.7 Ų | 123.7 | 59% | 0.593 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -70.4 | -35.6 | -179.7 | -131.1 | 172.6 | -3.5 | 0 | 0 | 112.1 | T361 S366 L367 | T361-Q363 VanDerWaalsContact C-N 3.35Å; T361-Q363 PolarHBondContact O-N 3.19Å; Q363-S366 PolarHBondContact O-OG 3.09Å; Q363-L367 WeakPolarHBondContact O-CD1 3.49Å; Q363-L367 PolarHBondContact O-N 3.04Å |
| 364 | F | 39.6 | Very low | 41 | Very low | 144 Ų | 144 | 124.1 Ų | 124.1 | 63% | 0.632 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -77.1 | -34.4 | 175.5 | -77 | -79.5 | 0 | 0 | 0 | 113.4 | L360 T361 R368 | L360-F364 WeakPolarHBondContact O-CD2 3.22Å; T361-F364 PolarHBondContact O-N 3.3Å; F364-R368 PolarHBondContact O-N 3.49Å; F364-R368 VanDerWaalsContact O-N 3.14Å |
| 365 | L | 44 | Very low | 41.2 | Very low | 112 Ų | 112 | 129.1 Ų | 129.1 | 59% | 0.586 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -65.5 | -42.8 | 173.8 | -101.7 | 96.5 | 0 | 0 | 0 | 112 | T361 L369 | T361-L365 WeakPolarHBondContact O-CD1 3.41Å; T361-L365 PolarHBondContact O-N 3.08Å; L365-L369 VanDerWaalsContact O-CB 3.31Å; L365-L369 WeakPolarHBondContact O-CB 3.43Å; L365-L369 PolarHBondContact O-N 2.7Å |
| 366 | S | 49.6 | Very low | 41.4 | Very low | 51 Ų | 51 | 123.9 Ų | 123.9 | 36% | 0.357 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -66.2 | -45.6 | 179.1 | 58.5 | 0 | 0 | 0 | 0 | 112 | F362 Q363 R368 L369 I370 | F362-S366 WeakPolarHBondContact O-CB 3.4Å; F362-S366 PolarHBondContact O-N 2.83Å; F362-S366 PolarHBondContact O-OG 3.45Å; Q363-S366 PolarHBondContact O-OG 3.09Å; S366-R368 PolarHBondContact O-N 3.17Å; S366-L369 PolarHBondContact O-N 3.46Å; S366-I370 VanDerWaalsContact O-CB 3.25Å; S366-I370 WeakPolarHBondContact O-CB 3.47Å; S366-I370 VanDerWaalsContact O-CD1 3.3Å; S366-I370 WeakPolarHBondContact O-CD1 3.27Å; S366-I370 WeakPolarHBondContact O-CG1 3.33Å; S366-I370 PolarHBondContact O-N 2.99Å |
| 367 | L | 47.7 | Very low | 41.6 | Very low | 103 Ų | 103 | 116.1 Ų | 116.1 | 54% | 0.539 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64.2 | -38.9 | 178 | -101.1 | 124.6 | 0 | 0 | 0 | 112.9 | Q363 C371 | Q363-L367 WeakPolarHBondContact O-CD1 3.49Å; Q363-L367 PolarHBondContact O-N 3.04Å; L367-C371 VanDerWaalsContact O-CB 3.26Å; L367-C371 WeakPolarHBondContact O-CB 3.39Å; L367-C371 PolarHBondContact O-N 3.43Å; L367-C371 PolarHBondContact O-SG 2.97Å |
| 368 | R | 42.4 | Very low | 42.2 | Very low | 196 Ų | 196 | 113.6 Ų | 113.6 | 74% | 0.74 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -73.6 | -37.4 | 178.3 | -74.3 | -165 | 177.6 | -176.3 | 2.2 | 112.7 | F364 S366 C371 F372 | F364-R368 PolarHBondContact O-N 3.49Å; F364-R368 VanDerWaalsContact O-N 3.14Å; S366-R368 PolarHBondContact O-N 3.17Å; R368-C371 PolarHBondContact O-N 2.82Å; R368-F372 VanDerWaalsContact O-CB 3.29Å; R368-F372 WeakPolarHBondContact O-CB 3.26Å; R368-F372 PolarHBondContact O-N 3.03Å |
| 369 | L | 47.1 | Very low | 43 | Very low | 104 Ų | 104 | 115.3 Ų | 115.3 | 55% | 0.545 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -67 | -41.2 | 174.1 | -164.8 | 77 | 0 | 0 | 0 | 111.2 | L365 S366 F372 I373 | L365-L369 VanDerWaalsContact O-CB 3.31Å; L365-L369 WeakPolarHBondContact O-CB 3.43Å; L365-L369 PolarHBondContact O-N 2.7Å; S366-L369 PolarHBondContact O-N 3.46Å; L369-F372 PolarHBondContact O-N 3.27Å; L369-I373 HydrophobicContact CD2-CD1 4.47Å; L369-I373 HydrophobicContact CG-CD1 4.12Å; L369-I373 WeakPolarHBondContact O-CB 3.39Å; L369-I373 VanDerWaalsContact O-CG1 3.26Å; L369-I373 WeakPolarHBondContact O-CG1 3.34Å; L369-I373 PolarHBondContact O-N 2.87Å |
| 370 | I | 47.5 | Very low | 43.6 | Very low | 89 Ų | 89 | 112.8 Ų | 112.8 | 46% | 0.456 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.2 | -47.7 | 173.7 | -69.2 | 164.3 | 0 | 0 | 0 | 109.8 | S366 F372 I373 F374 | S366-I370 VanDerWaalsContact O-CB 3.25Å; S366-I370 WeakPolarHBondContact O-CB 3.47Å; S366-I370 VanDerWaalsContact O-CD1 3.3Å; S366-I370 WeakPolarHBondContact O-CD1 3.27Å; S366-I370 WeakPolarHBondContact O-CG1 3.33Å; S366-I370 PolarHBondContact O-N 2.99Å; I370-F372 VanDerWaalsContact C-N 3.3Å; I370-F372 PolarHBondContact O-N 3.23Å; I370-I373 PolarHBondContact O-N 3.24Å; I370-F374 HydrophobicContact CG2-CD2 3.7Å; I370-F374 HydrophobicContact CG2-CE2 3.98Å; I370-F374 WeakPolarHBondContact O-CB 3.31Å; I370-F374 WeakPolarHBondContact O-CD2 3.49Å; I370-F374 PolarHBondContact O-N 3.32Å |
| 371 | C | 42.2 | Very low | 44.6 | Very low | 71 Ų | 71 | 107.6 Ų | 107.6 | 48% | 0.48 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.6 | -37.7 | 175.5 | -76 | 0 | 0 | 0 | 0 | 112.2 | L367 R368 F374 F375 | L367-C371 VanDerWaalsContact O-CB 3.26Å; L367-C371 WeakPolarHBondContact O-CB 3.39Å; L367-C371 PolarHBondContact O-N 3.43Å; L367-C371 PolarHBondContact O-SG 2.97Å; R368-C371 PolarHBondContact O-N 2.82Å; C371-F374 PolarHBondContact O-N 2.87Å; C371-F375 WeakPolarHBondContact O-CB 3.17Å; C371-F375 PolarHBondContact O-N 2.69Å |
| 372 | F | 43.9 | Very low | 45.7 | Very low | 137 Ų | 137 | 105.1 Ų | 105.1 | 60% | 0.601 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.6 | -44 | 177 | -147.6 | -95.3 | 0 | 0 | 0 | 111 | R368 L369 I370 F374 F375 F376 | R368-F372 VanDerWaalsContact O-CB 3.29Å; R368-F372 WeakPolarHBondContact O-CB 3.26Å; R368-F372 PolarHBondContact O-N 3.03Å; L369-F372 PolarHBondContact O-N 3.27Å; I370-F372 VanDerWaalsContact C-N 3.3Å; I370-F372 PolarHBondContact O-N 3.23Å; F372-F374 VanDerWaalsContact C-N 3.34Å; F372-F374 PolarHBondContact O-N 2.91Å; F372-F375 PolarHBondContact O-N 2.88Å; F372-F376 AromaticContact CD1-CD2 3.73Å; F372-F376 HydrophobicContact CD1-CD2 3.73Å; F372-F376 AromaticContact CD1-CE2 3.94Å; F372-F376 HydrophobicContact CD1-CE2 3.94Å; F372-F376 HydrophobicContact CD2-CE2 4.42Å; F372-F376 AromaticContact CE1-CD2 3.69Å; F372-F376 HydrophobicContact CE1-CD2 3.69Å; F372-F376 AromaticContact CE1-CE2 3.48Å; F372-F376 HydrophobicContact CE1-CE2 3.48Å; F372-F376 VanDerWaalsContact CE1-CE2 3.48Å; F372-F376 HydrophobicContact CE1-CZ 4.47Å; F372-F376 HydrophobicContact CE2-CE2 4.03Å; F372-F376 HydrophobicContact CG-CD2 4.27Å; F372-F376 HydrophobicContact CG-CE2 4.39Å; F372-F376 HydrophobicContact CZ-CD2 4.2Å; F372-F376 AromaticContact CZ-CE2 3.54Å; F372-F376 HydrophobicContact CZ-CE2 3.54Å; F372-F376 HydrophobicContact CZ-CZ 4.39Å; F372-F376 VanDerWaalsContact O-CD2 3.31Å; F372-F376 WeakPolarHBondContact O-CD2 3.37Å; F372-F376 PolarHBondContact O-N 3.15Å; F372-F376 VanDerWaalsContact O-N 3.1Å |
| 373 | I | 44.3 | Very low | 46.7 | Very low | 102 Ų | 102 | 102 Ų | 102 | 52% | 0.523 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.7 | -38 | 174.5 | -66.8 | 167.3 | 0 | 0 | 0 | 110.8 | L369 I370 S377 | L369-I373 HydrophobicContact CD2-CD1 4.47Å; L369-I373 HydrophobicContact CG-CD1 4.12Å; L369-I373 WeakPolarHBondContact O-CB 3.39Å; L369-I373 VanDerWaalsContact O-CG1 3.26Å; L369-I373 WeakPolarHBondContact O-CG1 3.34Å; L369-I373 PolarHBondContact O-N 2.87Å; I370-I373 PolarHBondContact O-N 3.24Å; I373-S377 WeakPolarHBondContact O-CB 3.37Å; I373-S377 PolarHBondContact O-N 3.11Å; I373-S377 PolarHBondContact O-OG 3.3Å |
| 374 | F | 41.8 | Very low | 48.2 | Very low | 156 Ų | 156 | 96.8 Ų | 96.8 | 68% | 0.684 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -72.4 | -33.3 | 176.4 | -94.1 | -86.1 | 0 | 0 | 0 | 113.5 | I370 C371 F372 F376 S377 | I370-F374 HydrophobicContact CG2-CD2 3.7Å; I370-F374 HydrophobicContact CG2-CE2 3.98Å; I370-F374 WeakPolarHBondContact O-CB 3.31Å; I370-F374 WeakPolarHBondContact O-CD2 3.49Å; I370-F374 PolarHBondContact O-N 3.32Å; C371-F374 PolarHBondContact O-N 2.87Å; F372-F374 VanDerWaalsContact C-N 3.34Å; F372-F374 PolarHBondContact O-N 2.91Å; F374-F376 VanDerWaalsContact C-N 3.33Å; F374-S377 VanDerWaalsContact CA-OG 3.26Å; F374-S377 WeakPolarHBondContact CA-OG 3.46Å; F374-S377 PolarHBondContact O-OG 2.85Å |
| 375 | F | 40.8 | Very low | 49.9 | Very low | 185 Ų | 185 | 90 Ų | 90 | 81% | 0.811 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -72.2 | -28.9 | 175.7 | -121.6 | -93.4 | 0 | 0 | 0 | 112.3 | C371 F372 | C371-F375 WeakPolarHBondContact O-CB 3.17Å; C371-F375 PolarHBondContact O-N 2.69Å; F372-F375 PolarHBondContact O-N 2.88Å |
| 376 | F | 37.5 | Very low | 51 | Low | 98 Ų | 98 | 86.1 Ų | 86.1 | 43% | 0.43 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -103.2 | -7.8 | -179.4 | -76.3 | -76.1 | 0 | 0 | 0 | 114.5 | F328 F372 F374 V378 | F328-F376 AromaticContact CE1-CD1 3.68Å; F328-F376 HydrophobicContact CE1-CD1 3.68Å; F328-F376 AromaticContact CE1-CE1 3.75Å; F328-F376 HydrophobicContact CE1-CE1 3.75Å; F328-F376 HydrophobicContact CE2-CD1 4.05Å; F328-F376 AromaticContact CZ-CD1 3.39Å; F328-F376 HydrophobicContact CZ-CD1 3.39Å; F328-F376 AromaticContact CZ-CE1 3.67Å; F328-F376 HydrophobicContact CZ-CE1 3.67Å; F372-F376 AromaticContact CD1-CD2 3.73Å; F372-F376 HydrophobicContact CD1-CD2 3.73Å; F372-F376 AromaticContact CD1-CE2 3.94Å; F372-F376 HydrophobicContact CD1-CE2 3.94Å; F372-F376 HydrophobicContact CD2-CE2 4.42Å; F372-F376 AromaticContact CE1-CD2 3.69Å; F372-F376 HydrophobicContact CE1-CD2 3.69Å; F372-F376 AromaticContact CE1-CE2 3.48Å; F372-F376 HydrophobicContact CE1-CE2 3.48Å; F372-F376 VanDerWaalsContact CE1-CE2 3.48Å; F372-F376 HydrophobicContact CE1-CZ 4.47Å; F372-F376 HydrophobicContact CE2-CE2 4.03Å; F372-F376 HydrophobicContact CG-CD2 4.27Å; F372-F376 HydrophobicContact CG-CE2 4.39Å; F372-F376 HydrophobicContact CZ-CD2 4.2Å; F372-F376 AromaticContact CZ-CE2 3.54Å; F372-F376 HydrophobicContact CZ-CE2 3.54Å; F372-F376 HydrophobicContact CZ-CZ 4.39Å; F372-F376 VanDerWaalsContact O-CD2 3.31Å; F372-F376 WeakPolarHBondContact O-CD2 3.37Å; F372-F376 PolarHBondContact O-N 3.15Å; F372-F376 VanDerWaalsContact O-N 3.1Å; F374-F376 VanDerWaalsContact C-N 3.33Å; F376-V378 PolarHBondContact O-N 3.42Å |
| 377 | S | 41.2 | Very low | 52.1 | Low | 57 Ų | 57 | 84.9 Ų | 84.9 | 40% | 0.399 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -70.8 | 105.3 | 167.9 | 25.8 | 0 | 0 | 0 | 0 | 107.4 | I373 F374 L379 | I373-S377 WeakPolarHBondContact O-CB 3.37Å; I373-S377 PolarHBondContact O-N 3.11Å; I373-S377 PolarHBondContact O-OG 3.3Å; F374-S377 VanDerWaalsContact CA-OG 3.26Å; F374-S377 WeakPolarHBondContact CA-OG 3.46Å; F374-S377 PolarHBondContact O-OG 2.85Å; S377-L379 PolarHBondContact O-N 3.14Å; S377-L379 VanDerWaalsContact O-N 3.09Å |
| 378 | V | 45.5 | Very low | 53.7 | Low | 62 Ų | 62 | 80.3 Ų | 80.3 | 38% | 0.376 | 40% | 0.402 | S | S | . | . | trans | -44.4 | 119.4 | 171.8 | 177.9 | 0 | 0 | 0 | 0 | 108 | Y325 F328 F376 F382 | Y325-V378 HydrophobicContact CE2-CG1 4.23Å; F328-V378 HydrophobicContact CD2-CG2 4.45Å; F376-V378 PolarHBondContact O-N 3.42Å; V378-F382 HydrophobicContact CG1-CB 4.18Å | ||
| 379 | L | 51.5 | Low | 55.8 | Low | 96 Ų | 96 | 79.3 Ų | 79.3 | 50% | 0.503 | 40% | 0.403 | S | S | . | . | trans | -54.7 | 127.8 | 172.6 | -69.5 | 176.4 | 0 | 0 | 0 | 106.9 | S377 E381 F382 | S377-L379 PolarHBondContact O-N 3.14Å; S377-L379 VanDerWaalsContact O-N 3.09Å; L379-E381 PolarHBondContact O-N 3.16Å; L379-F382 HydrophobicContact CB-CD2 3.91Å; L379-F382 HydrophobicContact CB-CE2 4.18Å; L379-F382 HydrophobicContact CD1-CE2 4.15Å; L379-F382 PolarHBondContact O-N 3.15Å | ||
| 380 | P | 54 | Low | 57.9 | Low | 92 Ų | 92 | 75.3 Ų | 75.3 | 60% | 0.597 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -48.9 | -33.6 | -173.1 | -29.2 | 33 | 0 | 0 | 0 | 112.7 | F382 E383 Q562 | P380-F382 PolarHBondContact O-N 3.28Å; P380-F382 VanDerWaalsContact O-N 3.11Å; P380-E383 WeakPolarHBondContact O-CB 3.48Å; P380-E383 PolarHBondContact O-N 2.97Å; P380-E383 VanDerWaalsContact O-N 3.15Å; P380-Q562 VanDerWaalsContact C-NE2 3.31Å; P380-Q562 PolarHBondContact O-NE2 2.85Å |
| 381 | E | 57.1 | Low | 60.2 | Low | 19 Ų | 19 | 71.9 Ų | 71.9 | 9% | 0.089 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -50.8 | -26.8 | 176.9 | -62.8 | 168.8 | 177.4 | 0 | 0 | 115.5 | H272 L379 Q565 M566 | H272-E381 IonicContact CE1-OE1 3.81Å; H272-E381 PolarHBondContact CE1-OE1 3.05Å; L379-E381 PolarHBondContact O-N 3.16Å; E381-Q565 HydrophobicContact CG-CG 4.41Å; E381-Q565 PolarHBondContact OE1-NE2 2.79Å; E381-M566 HydrophobicContact CB-CB 4.25Å |
| 382 | F | 61.5 | Low | 62.9 | Low | 37 Ų | 37 | 68.7 Ų | 68.7 | 16% | 0.162 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -95.2 | -13.2 | -178.2 | -68.5 | -93.4 | 0 | 0 | 0 | 114.4 | V378 L379 P380 I384 F385 M566 | V378-F382 HydrophobicContact CG1-CB 4.18Å; L379-F382 HydrophobicContact CB-CD2 3.91Å; L379-F382 HydrophobicContact CB-CE2 4.18Å; L379-F382 HydrophobicContact CD1-CE2 4.15Å; L379-F382 PolarHBondContact O-N 3.15Å; P380-F382 PolarHBondContact O-N 3.28Å; P380-F382 VanDerWaalsContact O-N 3.11Å; F382-I384 PolarHBondContact O-N 3.47Å; F382-I384 VanDerWaalsContact O-N 3.16Å; F382-F385 PolarHBondContact O-N 3.12Å; F382-M566 HydrophobicContact CD1-CG 4.25Å; F382-M566 HydrophobicContact CE1-CG 3.86Å; F382-M566 HydrophobicContact CE1-SD 4.34Å; F382-M566 HydrophobicContact CE2-CG 4.39Å; F382-M566 HydrophobicContact CZ-CG 3.95Å |
| 383 | E | 62 | Low | 65.5 | Low | 103 Ų | 103 | 62.1 Ų | 62.1 | 48% | 0.481 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -59 | -33.4 | -170.8 | -166.9 | -174.9 | -180 | 0 | 0 | 113.2 | P380 F385 | P380-E383 WeakPolarHBondContact O-CB 3.48Å; P380-E383 PolarHBondContact O-N 2.97Å; P380-E383 VanDerWaalsContact O-N 3.15Å; E383-F385 PolarHBondContact O-N 3.35Å |
| 384 | I | 70.8 | Confident | 68.1 | Low | 19 Ų | 19 | 57.3 Ų | 57.3 | 10% | 0.097 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -69.2 | -19 | 180 | 62.6 | 172.1 | 0 | 0 | 0 | 113.6 | F382 N386 L548 D559 Q562 | F382-I384 PolarHBondContact O-N 3.47Å; F382-I384 VanDerWaalsContact O-N 3.16Å; I384-N386 VanDerWaalsContact C-N 3.29Å; I384-N386 PolarHBondContact O-N 3.49Å; I384-L548 VanDerWaalsContact O-CD1 3.25Å; I384-L548 WeakPolarHBondContact O-CD1 3.25Å; I384-L548 WeakPolarHBondContact O-CD2 3.21Å; I384-D559 HydrophobicContact CD1-CB 4.05Å; I384-D559 HydrophobicContact CG2-CB 4.31Å; I384-Q562 HydrophobicContact CD1-CB 4.1Å; I384-Q562 HydrophobicContact CD1-CG 4.13Å |
| 385 | F | 74.8 | Confident | 70.9 | Confident | 1 Ų | 1 | 50 Ų | 50 | 0% | 0.004 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -92.7 | 25.4 | -176.8 | -63.5 | -68.4 | 0 | 0 | 0 | 113.1 | V323 F382 E383 G387 V388 L544 T563 M566 | V323-F385 HydrophobicContact CG1-CB 3.45Å; V323-F385 VanDerWaalsContact CG1-CB 3.45Å; V323-F385 HydrophobicContact CG1-CD1 3.98Å; V323-F385 HydrophobicContact CG1-CD2 3.84Å; V323-F385 HydrophobicContact CG1-CG 3.48Å; V323-F385 VanDerWaalsContact CG1-CG 3.48Å; F382-F385 PolarHBondContact O-N 3.12Å; E383-F385 PolarHBondContact O-N 3.35Å; F385-G387 PolarHBondContact O-N 2.95Å; F385-G387 VanDerWaalsContact O-N 3.15Å; F385-V388 HydrophobicContact CB-CB 4.38Å; F385-V388 WeakPolarHBondContact O-CB 3.36Å; F385-V388 PolarHBondContact O-N 2.68Å; F385-L544 HydrophobicContact CE1-CB 3.95Å; F385-L544 HydrophobicContact CE1-CD1 4.5Å; F385-L544 HydrophobicContact CZ-CD1 4.42Å; F385-T563 HydrophobicContact CZ-CG2 3.84Å; F385-T563 WeakPolarHBondContact CZ-OG1 3.43Å; F385-M566 HydrophobicContact CD2-CE 4.46Å; F385-M566 HydrophobicContact CE2-CE 3.61Å; F385-M566 HydrophobicContact CE2-CG 4.43Å; F385-M566 HydrophobicContact CZ-CE 3.85Å |
| 386 | N | 68.7 | Low | 73.6 | Confident | 30 Ų | 30 | 41.5 Ų | 41.5 | 16% | 0.16 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 125.1 | -178.1 | -170.9 | -3.7 | 0 | 0 | 0 | 111.7 | Y325 E327 I384 V388 N552 | Y325-N386 HydrophobicContact CD1-CB 3.93Å; Y325-N386 WeakPolarHBondContact CD1-OD1 3.42Å; Y325-N386 HydrophobicContact CE1-CB 3.98Å; Y325-N386 WeakPolarHBondContact CE1-OD1 3.37Å; Y325-N386 HydrophobicContact CG-CB 4.34Å; E327-N386 PolarHBondContact OE1-ND2 2.88Å; I384-N386 VanDerWaalsContact C-N 3.29Å; I384-N386 PolarHBondContact O-N 3.49Å; N386-V388 PolarHBondContact O-N 2.71Å; N386-N552 PolarHBondContact O-ND2 3.23Å; N386-N552 VanDerWaalsContact O-ND2 3.12Å |
| 387 | G | 71.4 | Confident | 76.5 | Confident | 25 Ų | 25 | 36.8 Ų | 36.8 | 26% | 0.258 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78 | -13.8 | -178 | 0 | 0 | 0 | 0 | 0 | 114.4 | F385 K389 K551 | F385-G387 PolarHBondContact O-N 2.95Å; F385-G387 VanDerWaalsContact O-N 3.15Å; G387-K389 PolarHBondContact O-N 3.25Å; G387-K551 WeakPolarHBondContact O-CD 3.46Å; G387-K551 WeakPolarHBondContact O-CE 3.35Å; G387-K551 PolarHBondContact O-NZ 3.24Å |
| 388 | V | 82.1 | Confident | 79.3 | Confident | 7 Ų | 7 | 34.2 Ų | 34.2 | 4% | 0.042 | 18% | 0.181 | C | C | . | . | trans | -80.2 | 119.6 | 177.8 | -177.9 | 0 | 0 | 0 | 0 | 108.8 | F385 N386 R390 C547 L548 K551 | F385-V388 HydrophobicContact CB-CB 4.38Å; F385-V388 WeakPolarHBondContact O-CB 3.36Å; F385-V388 PolarHBondContact O-N 2.68Å; N386-V388 PolarHBondContact O-N 2.71Å; V388-R390 HydrophobicContact CG1-CB 4.46Å; V388-C547 HydrophobicContact CG1-CB 4.27Å; V388-L548 HydrophobicContact CG2-CB 4.22Å; V388-L548 HydrophobicContact CG2-CD1 3.85Å; V388-K551 HydrophobicContact CG2-CD 4.29Å | ||
| 389 | K | 86.7 | Confident | 81.8 | Confident | 176 Ų | 176 | 32.8 Ų | 32.8 | 77% | 0.765 | 17% | 0.171 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 119 | 168.3 | -174.8 | 178 | 179.2 | -179.3 | 0 | 108.2 | V323 G387 | V323-K389 CarbonylContact O-C 3.57Å; V323-K389 VanDerWaalsContact O-CA 3.28Å; V323-K389 WeakPolarHBondContact O-CA 3.25Å; G387-K389 PolarHBondContact O-N 3.25Å |
| 390 | R | 91.7 | Very high | 84 | Confident | 20 Ų | 20 | 32.2 Ų | 32.2 | 8% | 0.075 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 144.8 | -179.9 | -152.7 | 148.8 | 176.3 | 76.3 | 3.5 | 111.2 | V323 V388 Y392 N513 E516 D543 L544 C547 | V323-R390 PolarHBondContact N-O 2.7Å; V323-R390 PolarHBondContact O-N 2.77Å; V388-R390 HydrophobicContact CG1-CB 4.46Å; R390-Y392 HydrophobicContact CB-CE2 4.14Å; R390-Y392 WeakPolarHBondContact CD-OH 2.9Å; R390-Y392 HydrophobicContact CG-CE1 4.39Å; R390-Y392 HydrophobicContact CG-CE2 3.8Å; R390-Y392 WeakPolarHBondContact CG-OH 3.08Å; R390-Y392 PolarHBondContact NE-OH 2.99Å; R390-Y392 VanDerWaalsContact NE-OH 3.09Å; R390-N513 PolarHBondContact NH2-OD1 3.05Å; R390-E516 IonicContact CZ-OE1 2.84Å; R390-E516 IonicContact CZ-OE2 3.91Å; R390-E516 IonicContact NH1-OE1 3.73Å; R390-E516 PolarHBondContact NH1-OE1 3.12Å; R390-E516 IonicContact NH1-OE2 3.89Å; R390-E516 PolarHBondContact NH1-OE2 2.94Å; R390-E516 IonicContact NH2-OE2 2.87Å; R390-E516 PolarHBondContact NH2-OE2 2.78Å; R390-D543 IonicContact CZ-OD2 3.83Å; R390-D543 IonicContact NE-OD2 2.74Å; R390-D543 PolarHBondContact NE-OD2 3.47Å; R390-D543 IonicContact NH2-OD2 3.42Å; R390-D543 PolarHBondContact NH2-OD2 3.36Å; R390-D543 VanDerWaalsContact NH2-OD2 3.08Å; R390-L544 HydrophobicContact CB-CD2 4.15Å; R390-C547 PolarHBondContact NE-SG 2.89Å |
| 391 | S | 96 | Very high | 86 | Confident | 17 Ų | 17 | 31.5 Ų | 31.5 | 12% | 0.119 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 138.9 | -178.2 | -172.7 | 0 | 0 | 0 | 0 | 110.6 | L320 I321 P524 I525 | L320-S391 WeakPolarHBondContact CD1-OG 3.08Å; I321-S391 CarbonylContact O-C 3.56Å; I321-S391 WeakPolarHBondContact O-CA 3.49Å; S391-P524 WeakPolarHBondContact O-CA 3.4Å; S391-I525 PolarHBondContact O-N 3.22Å; S391-I525 VanDerWaalsContact O-N 3.08Å |
| 392 | Y | 98.5 | Very high | 88 | Confident | 3 Ų | 3 | 30.9 Ų | 30.9 | 1% | 0.012 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 159.1 | 177.6 | -48.9 | -95.3 | 0 | 0 | 0 | 110.1 | I321 R390 I525 V527 I540 D543 L544 | I321-Y392 HydrophobicContact CG2-CD2 4.35Å; I321-Y392 PolarHBondContact N-O 3.01Å; I321-Y392 PolarHBondContact O-N 3.05Å; R390-Y392 HydrophobicContact CB-CE2 4.14Å; R390-Y392 WeakPolarHBondContact CD-OH 2.9Å; R390-Y392 HydrophobicContact CG-CE1 4.39Å; R390-Y392 HydrophobicContact CG-CE2 3.8Å; R390-Y392 WeakPolarHBondContact CG-OH 3.08Å; R390-Y392 PolarHBondContact NE-OH 2.99Å; R390-Y392 VanDerWaalsContact NE-OH 3.09Å; Y392-I525 CarbonylContact C-O 3.52Å; Y392-I525 WeakPolarHBondContact CA-O 3.37Å; Y392-I525 WeakPolarHBondContact CB-O 3.26Å; Y392-I525 HydrophobicContact CD1-CB 3.99Å; Y392-I525 HydrophobicContact CE1-CD1 4.42Å; Y392-V527 HydrophobicContact CD1-CG2 4.14Å; Y392-I540 HydrophobicContact CD1-CG1 4.13Å; Y392-I540 HydrophobicContact CD1-CG2 4.46Å; Y392-I540 HydrophobicContact CD2-CG2 3.84Å; Y392-I540 HydrophobicContact CE1-CG2 4.47Å; Y392-I540 HydrophobicContact CE2-CG2 3.83Å; Y392-I540 HydrophobicContact CG-CD1 4.23Å; Y392-I540 HydrophobicContact CG-CG1 4.25Å; Y392-I540 HydrophobicContact CG-CG2 4.15Å; Y392-D543 PolarHBondContact OH-OD2 2.74Å; Y392-L544 HydrophobicContact CE2-CD1 4.36Å; Y392-L544 HydrophobicContact CE2-CD2 3.74Å; Y392-L544 HydrophobicContact CE2-CG 3.89Å |
| 393 | I | 98.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 116.8 | 164.3 | -65.8 | 170 | 0 | 0 | 0 | 107.7 | I301 A318 N319 L320 M409 E413 P524 I525 I526 V527 | I301-I393 HydrophobicContact CD1-CD1 4.11Å; I301-I393 HydrophobicContact CD1-CG1 4.05Å; I301-I393 HydrophobicContact CG1-CD1 4.46Å; I301-I393 HydrophobicContact CG1-CG1 4.42Å; I301-I393 HydrophobicContact CG1-CG2 4.04Å; A318-I393 HydrophobicContact CB-CG2 3.93Å; N319-I393 WeakPolarHBondContact O-CA 3.35Å; L320-I393 HydrophobicContact CD1-CG1 4.26Å; I393-M409 HydrophobicContact CD1-CG 4.45Å; I393-M409 HydrophobicContact CG2-CE 3.95Å; I393-M409 HydrophobicContact CG2-SD 3.69Å; I393-E413 HydrophobicContact CD1-CB 3.78Å; I393-E413 HydrophobicContact CD1-CG 3.7Å; I393-P524 HydrophobicContact CD1-CB 3.9Å; I393-P524 HydrophobicContact CD1-CG 4.41Å; I393-P524 HydrophobicContact CG1-CB 3.74Å; I393-I525 PolarHBondContact N-O 2.62Å; I393-I526 HydrophobicContact CB-CG1 3.94Å; I393-I526 HydrophobicContact CD1-CG1 4.14Å; I393-I526 HydrophobicContact CG2-CG1 4.39Å; I393-I526 CarbonylContact O-C 3.51Å; I393-I526 WeakPolarHBondContact O-CA 3.31Å; I393-V527 PolarHBondContact O-N 2.86Å |
| 394 | S | 98.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 117.8 | 174.9 | -173.1 | 0 | 0 | 0 | 0 | 109.8 | A318 N319 V527 G532 T536 R571 | A318-S394 CarbonylContact C-O 3.56Å; A318-S394 VanDerWaalsContact CA-O 3.3Å; A318-S394 WeakPolarHBondContact CA-O 3.3Å; N319-S394 PolarHBondContact N-O 3.41Å; N319-S394 PolarHBondContact O-N 2.9Å; S394-V527 WeakPolarHBondContact CA-O 3.47Å; S394-G532 PolarHBondContact OG-O 2.98Å; S394-T536 WeakPolarHBondContact OG-CG2 3.32Å; S394-R571 VanDerWaalsContact OG-CD 3.24Å; S394-R571 WeakPolarHBondContact OG-CD 3.28Å |
| 395 | T | 98.8 | Very high | 92.8 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.012 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 161 | -174.9 | -172 | 0 | 0 | 0 | 0 | 112.5 | N317 F406 M409 I526 V527 H528 G532 | N317-T395 PolarHBondContact O-OG1 3.4Å; T395-F406 HydrophobicContact CG2-CD2 4.46Å; T395-F406 HydrophobicContact CG2-CE2 4.05Å; T395-M409 HydrophobicContact CG2-CE 4.15Å; T395-I526 HydrophobicContact CG2-CG2 3.93Å; T395-V527 PolarHBondContact N-O 2.83Å; T395-H528 HydrophobicContact CG2-CB 3.63Å; T395-H528 WeakPolarHBondContact O-CA 3.37Å; T395-H528 WeakPolarHBondContact O-CB 3.28Å; T395-G532 WeakPolarHBondContact O-CA 3.49Å |
| 396 | Q | 98.6 | Very high | 93.9 | Very high | 7 Ų | 7 | 27.2 Ų | 27.2 | 3% | 0.033 | 16% | 0.161 | C | C | . | . | P | Polyproline II helix | trans | -70.7 | 161.9 | 172.2 | 69.1 | 178.6 | 35.2 | 0 | 0 | 111.5 | K287 N317 C398 | K287-Q396 PolarHBondContact O-NE2 3.23Å; N317-Q396 HydrophobicContact CB-CG 4.13Å; N317-Q396 PolarHBondContact ND2-OE1 2.9Å; N317-Q396 PolarHBondContact O-N 3.46Å; Q396-C398 PolarHBondContact O-N 3.47Å |
| 397 | G | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | P | Polyproline II helix | trans | -65.7 | 133.7 | 167 | 0 | 0 | 0 | 0 | 0 | 110.6 | R289 L399 C529 S530 | R289-G397 VanDerWaalsContact CZ-O 3.32Å; R289-G397 PolarHBondContact NE-O 3.39Å; R289-G397 PolarHBondContact NH2-O 3.32Å; G397-L399 PolarHBondContact O-N 2.62Å; G397-C529 WeakPolarHBondContact CA-O 3.44Å; G397-C529 PolarHBondContact N-O 3.49Å; G397-C529 VanDerWaalsContact N-O 3.11Å; G397-S530 PolarHBondContact N-O 3.23Å |
| 398 | C | 98.7 | Very high | 96.6 | Very high | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.014 | 14% | 0.141 | C | C | . | . | P | Polyproline II helix | trans | -51.7 | 136 | -176.6 | -65.3 | 0 | 0 | 0 | 0 | 112.9 | R289 Q396 V403 F406 C432 V433 Y435 | R289-C398 PolarHBondContact NH2-O 2.81Å; Q396-C398 PolarHBondContact O-N 3.47Å; C398-V403 HydrophobicContact CB-CG2 4.44Å; C398-F406 VanDerWaalsContact SG-CD2 3.53Å; C398-F406 WeakPolarHBondContact SG-CG 3.47Å; C398-C432 PolarHBondContact N-SG 3.34Å; C398-V433 HydrophobicContact CB-CG2 3.97Å; C398-V433 WeakPolarHBondContact O-CG2 3.46Å; C398-V433 PolarHBondContact O-N 3.28Å; C398-Y435 HydrophobicContact CB-CD1 3.95Å; C398-Y435 HydrophobicContact CB-CG 4.38Å |
| 399 | L | 98.4 | Very high | 97.4 | Very high | 33 Ų | 33 | 24.3 Ų | 24.3 | 17% | 0.173 | 14% | 0.139 | C | C | . | . | P | Polyproline II helix | trans | -91.9 | 162.4 | 162.7 | -59.6 | 170.8 | 0 | 0 | 0 | 108.5 | R289 G397 C401 T402 V403 | R289-L399 HydrophobicContact CB-CD1 4.48Å; R289-L399 HydrophobicContact CB-CD2 4.15Å; R289-L399 HydrophobicContact CB-CG 4.45Å; R289-L399 HydrophobicContact CG-CD2 4.24Å; G397-L399 PolarHBondContact O-N 2.62Å; L399-C401 PolarHBondContact O-N 2.87Å; L399-T402 HydrophobicContact CB-CG2 4.18Å; L399-T402 HydrophobicContact CD1-CG2 4.33Å; L399-T402 PolarHBondContact N-OG1 2.84Å; L399-T402 PolarHBondContact O-N 3.5Å; L399-T402 PolarHBondContact O-OG1 2.81Å; L399-V403 WeakPolarHBondContact O-CG2 3.22Å; L399-V403 PolarHBondContact O-N 3.39Å |
| 400 | A | 98.1 | Very high | 97.9 | Very high | 84 Ų | 84 | 16 Ų | 16 | 69% | 0.694 | 10% | 0.103 | S | C | * | . | G | 310 helix | trans | -54.8 | -38.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | T402 | A400-T402 VanDerWaalsContact C-N 3.33Å; A400-T402 PolarHBondContact O-N 2.93Å |
| 401 | C | 97 | Very high | 98.2 | Very high | 76 Ų | 76 | 16.2 Ų | 16.2 | 51% | 0.514 | 10% | 0.104 | S | C | . | . | G | 310 helix | trans | -77.8 | -7.3 | 178.5 | 58 | 0 | 0 | 0 | 0 | 115.2 | L399 | L399-C401 PolarHBondContact O-N 2.87Š|
| 402 | T | 98.2 | Very high | 98.3 | Very high | 7 Ų | 7 | 16.4 Ų | 16.4 | 4% | 0.043 | 10% | 0.103 | C | C | . | . | G | 310 helix | trans | -116.9 | 8.4 | -177.1 | 70.7 | 0 | 0 | 0 | 0 | 113.1 | K287 L399 A400 D404 F406 | K287-T402 HydrophobicContact CB-CG2 3.97Å; K287-T402 HydrophobicContact CG-CG2 4.36Å; L399-T402 HydrophobicContact CB-CG2 4.18Å; L399-T402 HydrophobicContact CD1-CG2 4.33Å; L399-T402 PolarHBondContact N-OG1 2.84Å; L399-T402 PolarHBondContact O-N 3.5Å; L399-T402 PolarHBondContact O-OG1 2.81Å; A400-T402 VanDerWaalsContact C-N 3.33Å; A400-T402 PolarHBondContact O-N 2.93Å; T402-D404 VanDerWaalsContact C-N 3.34Å; T402-F406 WeakPolarHBondContact O-CB 3.25Å; T402-F406 PolarHBondContact O-N 3.36Å |
| 403 | V | 98.5 | Very high | 98.2 | Very high | 30 Ų | 30 | 18 Ų | 18 | 18% | 0.182 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.7 | -42.1 | 178.5 | 173.4 | 0 | 0 | 0 | 0 | 110.8 | C398 L399 F406 W407 V433 | C398-V403 HydrophobicContact CB-CG2 4.44Å; L399-V403 WeakPolarHBondContact O-CG2 3.22Å; L399-V403 PolarHBondContact O-N 3.39Å; V403-F406 PolarHBondContact O-N 3.46Å; V403-W407 VanDerWaalsContact O-CD1 3.29Å; V403-W407 PolarHBondContact O-N 3.22Å; V403-W407 VanDerWaalsContact O-N 3.15Å; V403-V433 HydrophobicContact CG2-CG2 3.78Å |
| 404 | D | 97.7 | Very high | 98.1 | Very high | 39 Ų | 39 | 21.6 Ų | 21.6 | 21% | 0.209 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.3 | -49 | 178.1 | -67.9 | -47.5 | 0 | 0 | 0 | 111.3 | T402 F406 W407 E408 T445 G446 K449 | T402-D404 VanDerWaalsContact C-N 3.34Å; D404-F406 VanDerWaalsContact C-N 3.26Å; D404-F406 PolarHBondContact O-N 3.22Å; D404-W407 PolarHBondContact O-N 3.06Å; D404-E408 PolarHBondContact O-N 2.93Å; D404-T445 VanDerWaalsContact OD1-CA 3.28Å; D404-T445 WeakPolarHBondContact OD1-CA 3.26Å; D404-T445 PolarHBondContact OD1-OG1 3.4Å; D404-G446 WeakPolarHBondContact O-CA 3.25Å; D404-G446 PolarHBondContact OD1-N 3.48Å; D404-G446 VanDerWaalsContact OD1-N 3.1Å; D404-K449 IonicContact OD1-NZ 3.98Å; D404-K449 PolarHBondContact OD1-NZ 2.95Å; D404-K449 WeakPolarHBondContact OD2-CE 3.31Å; D404-K449 IonicContact OD2-NZ 2.62Å; D404-K449 PolarHBondContact OD2-NZ 3.09Å |
| 405 | D | 98.2 | Very high | 98.1 | Very high | 12 Ų | 12 | 21.6 Ų | 21.6 | 6% | 0.064 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -54.2 | -42.5 | 174.9 | -68 | -7.6 | 0 | 0 | 0 | 111.7 | K287 L303 I316 E408 M409 F447 | K287-D405 WeakPolarHBondContact CE-OD2 3.21Å; K287-D405 IonicContact NZ-OD1 3.91Å; K287-D405 IonicContact NZ-OD2 3.64Å; K287-D405 PolarHBondContact NZ-OD2 2.92Å; L303-D405 HydrophobicContact CD1-CB 3.73Å; I316-D405 HydrophobicContact CD1-CB 4.17Å; D405-E408 PolarHBondContact O-N 3.35Å; D405-M409 PolarHBondContact O-N 2.86Å; D405-F447 WeakPolarHBondContact OD1-CE1 3.45Å |
| 406 | F | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 0% | 0.004 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.1 | -45.7 | 179.5 | 177.6 | -93 | 0 | 0 | 0 | 112.4 | I316 T395 C398 T402 V403 D404 E408 M409 V410 I418 Y435 I526 | I316-F406 HydrophobicContact CD1-CB 4.48Å; T395-F406 HydrophobicContact CG2-CD2 4.46Å; T395-F406 HydrophobicContact CG2-CE2 4.05Å; C398-F406 VanDerWaalsContact SG-CD2 3.53Å; C398-F406 WeakPolarHBondContact SG-CG 3.47Å; T402-F406 WeakPolarHBondContact O-CB 3.25Å; T402-F406 PolarHBondContact O-N 3.36Å; V403-F406 PolarHBondContact O-N 3.46Å; D404-F406 VanDerWaalsContact C-N 3.26Å; D404-F406 PolarHBondContact O-N 3.22Å; F406-E408 VanDerWaalsContact C-N 3.34Å; F406-M409 HydrophobicContact CD2-CE 3.91Å; F406-M409 HydrophobicContact CE2-CE 4.04Å; F406-M409 WeakPolarHBondContact O-CB 3.09Å; F406-M409 PolarHBondContact O-N 3.36Å; F406-V410 HydrophobicContact CD1-CG2 4.1Å; F406-V410 HydrophobicContact CE1-CG2 3.71Å; F406-V410 HydrophobicContact CZ-CG2 4.06Å; F406-V410 VanDerWaalsContact O-CG2 3.28Å; F406-V410 WeakPolarHBondContact O-CG2 3.3Å; F406-V410 PolarHBondContact O-N 3.37Å; F406-I418 HydrophobicContact CE1-CD1 4.03Å; F406-I418 HydrophobicContact CZ-CD1 4.05Å; F406-I418 HydrophobicContact CZ-CG2 4.14Å; F406-Y435 AromaticContact CD1-CD2 3.85Å; F406-Y435 HydrophobicContact CD1-CD2 3.85Å; F406-Y435 HydrophobicContact CD1-CE2 4.17Å; F406-Y435 HydrophobicContact CD1-CG 4.36Å; F406-Y435 AromaticContact CE1-CD2 3.5Å; F406-Y435 HydrophobicContact CE1-CD2 3.5Å; F406-Y435 AromaticContact CE1-CE2 3.35Å; F406-Y435 HydrophobicContact CE1-CE2 3.35Å; F406-Y435 HydrophobicContact CE1-CG 4.31Å; F406-Y435 HydrophobicContact CZ-CD2 4.3Å; F406-Y435 AromaticContact CZ-CE2 3.79Å; F406-Y435 HydrophobicContact CZ-CE2 3.79Å; F406-I526 HydrophobicContact CE2-CG2 4.06Å; F406-I526 HydrophobicContact CZ-CG2 4.27Å |
| 407 | W | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -73.3 | -28.5 | 178.9 | -77.1 | 109.9 | 0 | 0 | 0 | 113.1 | V403 D404 V410 W411 I418 Y435 T445 I451 L453 L469 L471 | V403-W407 VanDerWaalsContact O-CD1 3.29Å; V403-W407 PolarHBondContact O-N 3.22Å; V403-W407 VanDerWaalsContact O-N 3.15Å; D404-W407 PolarHBondContact O-N 3.06Å; W407-V410 HydrophobicContact CE3-CB 3.92Å; W407-V410 HydrophobicContact CE3-CG1 3.99Å; W407-V410 HydrophobicContact CE3-CG2 3.96Å; W407-V410 HydrophobicContact CZ3-CB 4.27Å; W407-V410 HydrophobicContact CZ3-CG1 3.9Å; W407-V410 HydrophobicContact CZ3-CG2 4.17Å; W407-V410 PolarHBondContact O-N 3.31Å; W407-W411 WeakPolarHBondContact O-CB 3.22Å; W407-W411 PolarHBondContact O-N 3.46Å; W407-I418 HydrophobicContact CH2-CD1 4.01Å; W407-I418 HydrophobicContact CZ3-CD1 4.11Å; W407-Y435 AromaticContact CE2-CD2 3.97Å; W407-Y435 AromaticContact CZ2-CD2 3.69Å; W407-Y435 HydrophobicContact CZ2-CD2 3.69Å; W407-Y435 HydrophobicContact CZ2-CE2 4.09Å; W407-Y435 AromaticContact NE1-CD2 3.95Å; W407-Y435 PolarHBondContact NE1-O 3.04Å; W407-T445 HydrophobicContact CB-CG2 3.53Å; W407-T445 HydrophobicContact CD2-CG2 4.32Å; W407-T445 HydrophobicContact CG-CG2 3.51Å; W407-I451 HydrophobicContact CB-CD1 4.44Å; W407-L453 HydrophobicContact CD2-CD2 4.09Å; W407-L453 HydrophobicContact CH2-CD1 3.85Å; W407-L453 HydrophobicContact CH2-CD2 4.01Å; W407-L453 HydrophobicContact CZ2-CD1 4.03Å; W407-L453 HydrophobicContact CZ2-CD2 3.3Å; W407-L453 HydrophobicContact CZ2-CG 4.32Å; W407-L453 HydrophobicContact CZ3-CD1 4.1Å; W407-L469 HydrophobicContact CH2-CD1 3.56Å; W407-L469 HydrophobicContact CZ2-CD1 4.11Å; W407-L471 HydrophobicContact CE3-CD1 4.45Å; W407-L471 HydrophobicContact CE3-CD2 3.71Å; W407-L471 HydrophobicContact CE3-CG 4.16Å; W407-L471 HydrophobicContact CH2-CD1 4.39Å; W407-L471 HydrophobicContact CZ3-CD1 3.78Å; W407-L471 HydrophobicContact CZ3-CD2 3.72Å; W407-L471 HydrophobicContact CZ3-CG 3.99Å |
| 408 | E | 97.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.9 | -44.2 | 169.3 | -163.8 | 70.6 | -140.9 | 0 | 0 | 110.9 | D404 D405 F406 V410 W411 Q412 F447 K473 | D404-E408 PolarHBondContact O-N 2.93Å; D405-E408 PolarHBondContact O-N 3.35Å; F406-E408 VanDerWaalsContact C-N 3.34Å; E408-V410 PolarHBondContact O-N 2.94Å; E408-W411 PolarHBondContact O-N 3.07Å; E408-Q412 WeakPolarHBondContact O-CG 3.27Å; E408-Q412 PolarHBondContact O-N 2.92Å; E408-F447 HydrophobicContact CB-CD2 4.33Å; E408-F447 HydrophobicContact CB-CE2 4.24Å; E408-F447 HydrophobicContact CB-CZ 4.39Å; E408-F447 HydrophobicContact CG-CD2 3.53Å; E408-F447 HydrophobicContact CG-CE2 3.51Å; E408-F447 HydrophobicContact CG-CG 4.2Å; E408-F447 HydrophobicContact CG-CZ 4.14Å; E408-F447 PolarHBondContact OE2-N 3.46Å; E408-F447 VanDerWaalsContact OE2-N 3.07Å; E408-K473 IonicContact OE1-NZ 2.95Å; E408-K473 PolarHBondContact OE1-NZ 3.45Å; E408-K473 IonicContact OE2-NZ 2.88Å; E408-K473 PolarHBondContact OE2-NZ 2.94Å |
| 409 | M | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -55.6 | -50.4 | 172.9 | -177.3 | 178.9 | 71.4 | 0 | 0 | 111.8 | I301 L303 I316 A318 I393 T395 D405 F406 W411 Q412 E413 I526 | I301-M409 HydrophobicContact CB-SD 4.31Å; I301-M409 HydrophobicContact CG1-SD 4.17Å; I301-M409 HydrophobicContact CG2-CG 3.95Å; I301-M409 HydrophobicContact CG2-SD 4.23Å; L303-M409 HydrophobicContact CD2-CB 3.82Å; I316-M409 HydrophobicContact CD1-CB 4.17Å; I316-M409 HydrophobicContact CD1-CE 4.23Å; I316-M409 HydrophobicContact CD1-SD 3.92Å; I316-M409 HydrophobicContact CG2-SD 4.22Å; A318-M409 HydrophobicContact CB-SD 3.66Å; I393-M409 HydrophobicContact CD1-CG 4.45Å; I393-M409 HydrophobicContact CG2-CE 3.95Å; I393-M409 HydrophobicContact CG2-SD 3.69Å; T395-M409 HydrophobicContact CG2-CE 4.15Å; D405-M409 PolarHBondContact O-N 2.86Å; F406-M409 HydrophobicContact CD2-CE 3.91Å; F406-M409 HydrophobicContact CE2-CE 4.04Å; F406-M409 WeakPolarHBondContact O-CB 3.09Å; F406-M409 PolarHBondContact O-N 3.36Å; M409-W411 VanDerWaalsContact C-N 3.25Å; M409-W411 PolarHBondContact O-N 2.79Å; M409-Q412 WeakPolarHBondContact O-CG 3.44Å; M409-Q412 PolarHBondContact O-N 3.26Å; M409-E413 HydrophobicContact CG-CG 4.31Å; M409-E413 WeakPolarHBondContact O-CB 3.42Å; M409-E413 WeakPolarHBondContact O-CG 3.4Å; M409-E413 PolarHBondContact O-N 3.05Å; M409-I526 HydrophobicContact CE-CD1 4.08Å; M409-I526 HydrophobicContact CE-CG1 4.38Å; M409-I526 HydrophobicContact CE-CG2 4.39Å |
| 410 | V | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.012 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -57.3 | -41.8 | 178.1 | 175.8 | 0 | 0 | 0 | 0 | 110.9 | F406 W407 E408 E414 S415 I418 L471 V485 I526 | F406-V410 HydrophobicContact CD1-CG2 4.1Å; F406-V410 HydrophobicContact CE1-CG2 3.71Å; F406-V410 HydrophobicContact CZ-CG2 4.06Å; F406-V410 VanDerWaalsContact O-CG2 3.28Å; F406-V410 WeakPolarHBondContact O-CG2 3.3Å; F406-V410 PolarHBondContact O-N 3.37Å; W407-V410 HydrophobicContact CE3-CB 3.92Å; W407-V410 HydrophobicContact CE3-CG1 3.99Å; W407-V410 HydrophobicContact CE3-CG2 3.96Å; W407-V410 HydrophobicContact CZ3-CB 4.27Å; W407-V410 HydrophobicContact CZ3-CG1 3.9Å; W407-V410 HydrophobicContact CZ3-CG2 4.17Å; W407-V410 PolarHBondContact O-N 3.31Å; E408-V410 PolarHBondContact O-N 2.94Å; V410-E414 PolarHBondContact O-N 3.41Å; V410-S415 PolarHBondContact O-N 2.68Å; V410-I418 HydrophobicContact CG1-CD1 4.45Å; V410-I418 HydrophobicContact CG2-CD1 3.96Å; V410-L471 HydrophobicContact CG1-CD2 3.84Å; V410-V485 HydrophobicContact CG1-CG2 4.04Å; V410-I526 HydrophobicContact CB-CD1 4.21Å; V410-I526 HydrophobicContact CG2-CD1 3.46Å; V410-I526 VanDerWaalsContact CG2-CD1 3.46Å |
| 411 | W | 97.7 | Very high | 98.1 | Very high | 25 Ų | 25 | 19 Ų | 19 | 10% | 0.095 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -68.6 | -51.9 | 179.5 | -175.4 | -87.4 | 0 | 0 | 0 | 112.3 | W407 E408 M409 E413 E414 I451 L471 K473 E481 R483 | W407-W411 WeakPolarHBondContact O-CB 3.22Å; W407-W411 PolarHBondContact O-N 3.46Å; E408-W411 PolarHBondContact O-N 3.07Å; M409-W411 VanDerWaalsContact C-N 3.25Å; M409-W411 PolarHBondContact O-N 2.79Å; W411-E413 PolarHBondContact O-N 3.32Å; W411-E414 PolarHBondContact O-N 3.08Å; W411-I451 HydrophobicContact CB-CD1 3.77Å; W411-I451 HydrophobicContact CG-CD1 4.15Å; W411-L471 HydrophobicContact CE3-CB 4.25Å; W411-L471 HydrophobicContact CE3-CD2 4.39Å; W411-L471 HydrophobicContact CZ3-CB 4.12Å; W411-K473 HydrophobicContact CD2-CB 4.04Å; W411-K473 HydrophobicContact CD2-CD 3.88Å; W411-K473 HydrophobicContact CE3-CB 4.04Å; W411-K473 HydrophobicContact CG-CD 4.07Å; W411-K473 HydrophobicContact CH2-CB 3.36Å; W411-K473 HydrophobicContact CZ2-CB 3.35Å; W411-K473 HydrophobicContact CZ2-CD 4.05Å; W411-K473 HydrophobicContact CZ2-CG 4.26Å; W411-K473 HydrophobicContact CZ3-CB 3.71Å; W411-E481 HydrophobicContact CH2-CB 3.9Å; W411-E481 HydrophobicContact CH2-CG 3.98Å; W411-E481 WeakPolarHBondContact CH2-O 3.09Å; W411-E481 HydrophobicContact CZ2-CB 4.1Å; W411-E481 HydrophobicContact CZ2-CG 4.2Å; W411-R483 HydrophobicContact CH2-CG 4.45Å; W411-R483 HydrophobicContact CZ3-CG 4.34Å; W411-R483 PolarHBondContact O-NH1 3.17Å |
| 412 | Q | 97.3 | Very high | 98 | Very high | 20 Ų | 20 | 15.5 Ų | 15.5 | 9% | 0.093 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -70.1 | -32.2 | -173.8 | 73.5 | 171.6 | 45.8 | 0 | 0 | 113.3 | V302 R304 E408 M409 | V302-Q412 PolarHBondContact O-NE2 2.72Å; R304-Q412 PolarHBondContact NH2-O 3.38Å; E408-Q412 WeakPolarHBondContact O-CG 3.27Å; E408-Q412 PolarHBondContact O-N 2.92Å; M409-Q412 WeakPolarHBondContact O-CG 3.44Å; M409-Q412 PolarHBondContact O-N 3.26Å |
| 413 | E | 97.6 | Very high | 97.9 | Very high | 37 Ų | 37 | 19.3 Ų | 19.3 | 17% | 0.173 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -1.1 | 178.5 | -59.2 | -50.9 | 131.1 | 0 | 0 | 111.7 | I301 R304 I393 M409 W411 S415 | I301-E413 HydrophobicContact CG2-CG 4.4Å; R304-E413 IonicContact CZ-OE1 3.62Å; R304-E413 IonicContact NH2-OE1 2.71Å; R304-E413 PolarHBondContact NH2-OE1 3.05Å; R304-E413 IonicContact NH2-OE2 3.47Å; I393-E413 HydrophobicContact CD1-CB 3.78Å; I393-E413 HydrophobicContact CD1-CG 3.7Å; M409-E413 HydrophobicContact CG-CG 4.31Å; M409-E413 WeakPolarHBondContact O-CB 3.42Å; M409-E413 WeakPolarHBondContact O-CG 3.4Å; M409-E413 PolarHBondContact O-N 3.05Å; W411-E413 PolarHBondContact O-N 3.32Å; E413-S415 PolarHBondContact O-N 2.96Å |
| 414 | E | 97 | Very high | 97.9 | Very high | 75 Ų | 75 | 21.2 Ų | 21.2 | 35% | 0.35 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 23.5 | 179.1 | -52.5 | 174.9 | -102.6 | 0 | 0 | 113.2 | V410 W411 R416 K523 | V410-E414 PolarHBondContact O-N 3.41Å; W411-E414 PolarHBondContact O-N 3.08Å; E414-R416 WeakPolarHBondContact O-CD 3.35Å; E414-R416 WeakPolarHBondContact O-CG 3.35Å; E414-R416 PolarHBondContact O-N 3.27Å; E414-K523 HydrophobicContact CB-CD 3.96Å; E414-K523 HydrophobicContact CB-CG 4.13Å; E414-K523 IonicContact OE1-NZ 3.96Å; E414-K523 PolarHBondContact OE1-NZ 3.49Å; E414-K523 IonicContact OE2-NZ 3.16Å; E414-K523 PolarHBondContact OE2-NZ 2.77Å |
| 415 | S | 98.2 | Very high | 97.8 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.007 | 11% | 0.113 | C | C | . | . | trans | -60.1 | 123.9 | -178.8 | -70.2 | 0 | 0 | 0 | 0 | 110.7 | V410 E413 P524 I526 | V410-S415 PolarHBondContact O-N 2.68Å; E413-S415 PolarHBondContact O-N 2.96Å; S415-P524 VanDerWaalsContact CB-O 3.28Å; S415-P524 WeakPolarHBondContact CB-O 3.14Å; S415-P524 PolarHBondContact OG-O 2.74Å; S415-I526 VanDerWaalsContact CB-CD1 3.46Å | ||
| 416 | R | 97.9 | Very high | 97.6 | Very high | 64 Ų | 64 | 24.6 Ų | 24.6 | 24% | 0.242 | 11% | 0.113 | C | C | . | . | trans | -97.7 | -16.2 | -178.7 | -56.2 | -54.3 | -62.4 | -121.2 | -12.8 | 113.4 | E414 F484 V485 Y486 L519 | E414-R416 WeakPolarHBondContact O-CD 3.35Å; E414-R416 WeakPolarHBondContact O-CG 3.35Å; E414-R416 PolarHBondContact O-N 3.27Å; R416-F484 PolarHBondContact NE-O 3.25Å; R416-F484 PolarHBondContact NH2-O 3.33Å; R416-V485 CarbonylContact O-C 3.55Å; R416-V485 WeakPolarHBondContact O-CA 3.02Å; R416-Y486 PolarHBondContact O-N 3.1Å; R416-L519 HydrophobicContact CB-CD1 3.59Å; R416-L519 HydrophobicContact CG-CD1 4.16Å | ||
| 417 | I | 98.7 | Very high | 97.2 | Very high | 5 Ų | 5 | 31.8 Ų | 31.8 | 3% | 0.026 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 130.4 | -174.6 | -55.1 | 177 | 0 | 0 | 0 | 109 | V419 Y486 Y488 I512 L515 E516 L519 I525 I526 | I417-V419 HydrophobicContact CG2-CG2 4.35Å; I417-Y486 WeakPolarHBondContact CA-O 3.46Å; I417-Y488 HydrophobicContact CG2-CD2 4.13Å; I417-Y488 HydrophobicContact CG2-CE2 4.49Å; I417-I512 HydrophobicContact CD1-CG2 4.31Å; I417-I512 HydrophobicContact CG2-CG2 4.04Å; I417-L515 HydrophobicContact CD1-CD2 4.02Å; I417-L515 HydrophobicContact CD1-CG 4.21Å; I417-L515 HydrophobicContact CG1-CD2 4.09Å; I417-E516 HydrophobicContact CD1-CB 3.76Å; I417-E516 HydrophobicContact CD1-CG 4.27Å; I417-L519 HydrophobicContact CD1-CD1 4.13Å; I417-L519 HydrophobicContact CG1-CD1 4.19Å; I417-I525 HydrophobicContact CB-CG1 4.43Å; I417-I525 HydrophobicContact CB-CG2 4.24Å; I417-I525 HydrophobicContact CG2-CG2 4.02Å; I417-I526 PolarHBondContact O-N 2.99Å |
| 418 | I | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 127 | 174.2 | -57.2 | 169.6 | 0 | 0 | 0 | 108.4 | F406 W407 V410 Y435 V485 Y486 H487 Y488 I526 | F406-I418 HydrophobicContact CE1-CD1 4.03Å; F406-I418 HydrophobicContact CZ-CD1 4.05Å; F406-I418 HydrophobicContact CZ-CG2 4.14Å; W407-I418 HydrophobicContact CH2-CD1 4.01Å; W407-I418 HydrophobicContact CZ3-CD1 4.11Å; V410-I418 HydrophobicContact CG1-CD1 4.45Å; V410-I418 HydrophobicContact CG2-CD1 3.96Å; I418-Y435 WeakPolarHBondContact CG2-OH 3.47Å; I418-V485 HydrophobicContact CD1-CG1 3.58Å; I418-V485 HydrophobicContact CG1-CG1 3.87Å; I418-Y486 PolarHBondContact N-O 3.37Å; I418-H487 CarbonylContact O-C 3.56Å; I418-Y488 PolarHBondContact O-N 2.86Å; I418-I526 CarbonylContact C-O 3.43Å; I418-I526 WeakPolarHBondContact CA-O 3.45Å; I418-I526 HydrophobicContact CG1-CB 4.25Å; I418-I526 HydrophobicContact CG1-CD1 4.26Å; I418-I526 HydrophobicContact CG2-CB 4.44Å; I418-I526 HydrophobicContact CG2-CG2 4.21Å |
| 419 | V | 98.8 | Very high | 96.8 | Very high | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.024 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 113.2 | 177.1 | 178.6 | 0 | 0 | 0 | 0 | 109.3 | I417 Y488 F508 I512 I525 I526 V527 H528 | I417-V419 HydrophobicContact CG2-CG2 4.35Å; V419-Y488 CarbonylContact C-O 3.58Å; V419-Y488 WeakPolarHBondContact CA-O 3.2Å; V419-F508 HydrophobicContact CG1-CE1 3.68Å; V419-F508 HydrophobicContact CG1-CZ 3.91Å; V419-I512 HydrophobicContact CG2-CD1 3.6Å; V419-I525 HydrophobicContact CG2-CG2 3.93Å; V419-I526 PolarHBondContact N-O 3.28Å; V419-V527 HydrophobicContact CB-CB 4.36Å; V419-V527 HydrophobicContact CB-CG1 4.05Å; V419-V527 HydrophobicContact CB-CG2 4.16Å; V419-V527 HydrophobicContact CG1-CG1 4Å; V419-V527 HydrophobicContact CG2-CG2 4.46Å; V419-V527 CarbonylContact O-C 3.52Å; V419-V527 WeakPolarHBondContact O-CA 3.18Å; V419-H528 PolarHBondContact O-N 3.43Å |
| 420 | M | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 112.9 | 176.8 | 177.8 | 169 | 179.9 | 0 | 0 | 110.1 | T422 E424 C432 Y435 W436 Y488 H489 F490 H528 | M420-T422 HydrophobicContact CE-CG2 4.14Å; M420-T422 WeakPolarHBondContact CE-O 3.44Å; M420-E424 HydrophobicContact CE-CG 4.36Å; M420-C432 HydrophobicContact CE-CB 3.74Å; M420-Y435 HydrophobicContact SD-CE1 4.18Å; M420-W436 HydrophobicContact CE-CH2 3.92Å; M420-W436 HydrophobicContact CE-CZ3 4.16Å; M420-W436 HydrophobicContact SD-CH2 3.62Å; M420-W436 HydrophobicContact SD-CZ3 3.54Å; M420-W436 VanDerWaalsContact SD-CZ3 3.54Å; M420-Y488 PolarHBondContact N-O 2.76Å; M420-H489 HydrophobicContact CB-CB 4.42Å; M420-H489 CarbonylContact O-C 3.58Å; M420-H489 WeakPolarHBondContact O-CA 3.34Å; M420-H489 PolarHBondContact O-CD2 3.46Å; M420-F490 PolarHBondContact O-N 2.88Å; M420-H528 WeakPolarHBondContact CB-NE2 3.39Å; M420-H528 VanDerWaalsContact CG-CE1 3.45Å; M420-H528 WeakPolarHBondContact CG-CE1 3.37Å |
| 421 | A | 97.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -104.3 | 29.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | H528 C529 R535 F539 | A421-H528 PolarHBondContact N-O 2.72Å; A421-C529 HydrophobicContact CB-CB 4.17Å; A421-R535 HydrophobicContact CB-CB 4.07Å; A421-R535 WeakPolarHBondContact O-CD 3.31Å; A421-R535 PolarHBondContact O-NH1 2.81Å; A421-F539 HydrophobicContact CB-CD2 3.86Å; A421-F539 HydrophobicContact CB-CE2 3.6Å | ||
| 422 | T | 96.4 | Very high | 96.6 | Very high | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -150 | 150.7 | 178.7 | -165.3 | 0 | 0 | 0 | 0 | 110.3 | M420 E426 K431 C432 H489 C529 R535 | M420-T422 HydrophobicContact CE-CG2 4.14Å; M420-T422 WeakPolarHBondContact CE-O 3.44Å; T422-E426 PolarHBondContact OG1-OE1 2.91Å; T422-K431 HydrophobicContact CG2-CB 4.18Å; T422-K431 WeakPolarHBondContact OG1-CB 3.38Å; T422-C432 HydrophobicContact CG2-CB 4.15Å; T422-H489 PolarHBondContact O-NE2 3.3Å; T422-C529 VanDerWaalsContact CG2-C 3.44Å; T422-R535 PolarHBondContact OG1-NH1 3.35Å |
| 423 | K | 96.3 | Very high | 96.7 | Very high | 88 Ų | 88 | 47 Ų | 47 | 38% | 0.383 | 24% | 0.239 | S | C | . | . | trans | -75.1 | 161.7 | 166.8 | -63.4 | 173.3 | -174.7 | 171.2 | 0 | 109.2 | I425 E426 K431 L491 | K423-I425 VanDerWaalsContact C-N 3.26Å; K423-I425 PolarHBondContact O-N 3.04Å; K423-E426 HydrophobicContact CB-CG 4.01Å; K423-E426 PolarHBondContact N-OE1 2.97Å; K423-E426 VanDerWaalsContact N-OE1 3.08Å; K423-K431 WeakPolarHBondContact O-CB 3.24Å; K423-L491 WeakPolarHBondContact CE-O 3.25Å; K423-L491 HydrophobicContact CG-CD2 4.46Å | ||
| 424 | E | 96.8 | Very high | 96.7 | Very high | 69 Ų | 69 | 49.1 Ų | 49.1 | 32% | 0.322 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -61.1 | -39.5 | 176.9 | -67.8 | 179.4 | -115.4 | 0 | 0 | 111.8 | M420 K431 C432 R434 W436 | M420-E424 HydrophobicContact CE-CG 4.36Å; E424-K431 PolarHBondContact O-N 3.41Å; E424-C432 VanDerWaalsContact CA-O 3.32Å; E424-C432 WeakPolarHBondContact CA-O 3.4Å; E424-C432 WeakPolarHBondContact CB-O 3.44Å; E424-C432 PolarHBondContact O-N 2.89Å; E424-R434 VanDerWaalsContact OE2-CB 3.31Å; E424-R434 WeakPolarHBondContact OE2-CB 3.37Å; E424-R434 PolarHBondContact OE2-N 3.36Å; E424-W436 HydrophobicContact CG-CH2 4.29Å |
| 425 | I | 96.2 | Very high | 96.7 | Very high | 110 Ų | 110 | 45.9 Ų | 45.9 | 56% | 0.564 | 23% | 0.23 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 130.9 | 177.4 | -57.6 | 174.8 | 0 | 0 | 0 | 108.6 | K423 K429 | K423-I425 VanDerWaalsContact C-N 3.26Å; K423-I425 PolarHBondContact O-N 3.04Å; I425-K429 WeakPolarHBondContact CA-O 3.17Å |
| 426 | E | 93.8 | Very high | 96.7 | Very high | 13 Ų | 13 | 46.3 Ų | 46.3 | 6% | 0.061 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 122.3 | 170.7 | -64.2 | 173.9 | -169.6 | 0 | 0 | 107.4 | T422 K423 G428 K429 K431 R535 | T422-E426 PolarHBondContact OG1-OE1 2.91Å; K423-E426 HydrophobicContact CB-CG 4.01Å; K423-E426 PolarHBondContact N-OE1 2.97Å; K423-E426 VanDerWaalsContact N-OE1 3.08Å; E426-G428 VanDerWaalsContact C-N 3.35Å; E426-G428 PolarHBondContact O-N 3.38Å; E426-K429 PolarHBondContact N-O 3.48Å; E426-K429 PolarHBondContact O-N 3.49Å; E426-K429 VanDerWaalsContact O-N 3.07Å; E426-K431 HydrophobicContact CB-CD 4.45Å; E426-K431 HydrophobicContact CB-CG 3.85Å; E426-K431 HydrophobicContact CG-CG 3.87Å; E426-R535 IonicContact OE1-CZ 2.97Å; E426-R535 IonicContact OE1-NH1 3.46Å; E426-R535 PolarHBondContact OE1-NH1 3.49Å; E426-R535 IonicContact OE1-NH2 2.66Å; E426-R535 IonicContact OE2-CZ 3.92Å; E426-R535 IonicContact OE2-NH1 2.9Å; E426-R535 PolarHBondContact OE2-NH1 3.03Å; E426-R535 IonicContact OE2-NH2 3.93Å; E426-R535 PolarHBondContact OE2-NH2 3.23Å |
| 427 | R | 90.1 | Very high | 96.7 | Very high | 151 Ų | 151 | 43.3 Ų | 43.3 | 57% | 0.57 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 44.6 | -176.6 | -54.3 | -176.4 | 171.2 | -162.8 | -2.8 | 114.4 | K429 D495 H496 | R427-K429 PolarHBondContact O-N 3.12Å; R427-D495 VanDerWaalsContact CG-OD2 3.27Å; R427-D495 WeakPolarHBondContact CG-OD2 3.39Å; R427-D495 IonicContact NE-OD2 2.92Å; R427-H496 PolarHBondContact NH1-CE1 3.25Å; R427-H496 PolarHBondContact NH1-NE2 2.66Å; R427-H496 PolarHBondContact NH2-CD2 2.71Å; R427-H496 PolarHBondContact NH2-CE1 3.39Å; R427-H496 VanDerWaalsContact NH2-CG 3.35Å; R427-H496 PolarHBondContact NH2-NE2 3.1Å |
| 428 | G | 92.9 | Very high | 96.6 | Very high | 73 Ų | 73 | 47.4 Ų | 47.4 | 75% | 0.753 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68 | 3.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | E426 | E426-G428 VanDerWaalsContact C-N 3.35Å; E426-G428 PolarHBondContact O-N 3.38Å |
| 429 | K | 94.6 | Very high | 96.3 | Very high | 145 Ų | 145 | 50.1 Ų | 50.1 | 63% | 0.63 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 129.5 | 176.3 | -63.7 | -174.1 | -179.4 | -178 | 0 | 110 | I425 E426 R427 K431 | I425-K429 WeakPolarHBondContact CA-O 3.17Å; E426-K429 PolarHBondContact N-O 3.48Å; E426-K429 PolarHBondContact O-N 3.49Å; E426-K429 VanDerWaalsContact O-N 3.07Å; R427-K429 PolarHBondContact O-N 3.12Å; K429-K431 PolarHBondContact O-N 3.06Å |
| 430 | S | 96.6 | Very high | 96 | Very high | 68 Ų | 68 | 57.6 Ų | 57.6 | 48% | 0.476 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 124.1 | 171.5 | 176.7 | 0 | 0 | 0 | 0 | 110.5 | R289 | R289-S430 PolarHBondContact NH1-O 3.39Å |
| 431 | K | 96.8 | Very high | 95.9 | Very high | 45 Ų | 45 | 62.6 Ų | 62.6 | 20% | 0.196 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -106.2 | -31.8 | 176.7 | -61.6 | -56.3 | -172.2 | 173.5 | 0 | 112.5 | R289 T422 K423 E424 E426 K429 S530 | R289-K431 PolarHBondContact NE-O 3.07Å; R289-K431 PolarHBondContact NH1-O 3.38Å; R289-K431 PolarHBondContact NH2-O 3.02Å; T422-K431 HydrophobicContact CG2-CB 4.18Å; T422-K431 WeakPolarHBondContact OG1-CB 3.38Å; K423-K431 WeakPolarHBondContact O-CB 3.24Å; E424-K431 PolarHBondContact O-N 3.41Å; E426-K431 HydrophobicContact CB-CD 4.45Å; E426-K431 HydrophobicContact CB-CG 3.85Å; E426-K431 HydrophobicContact CG-CG 3.87Å; K429-K431 PolarHBondContact O-N 3.06Å; K431-S530 WeakPolarHBondContact CA-OG 3.32Å; K431-S530 WeakPolarHBondContact O-CA 3.27Å; K431-S530 PolarHBondContact O-OG 3.08Å |
| 432 | C | 98.2 | Very high | 95.8 | Very high | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.007 | 35% | 0.348 | C | S | . | . | trans | -157.1 | 139.5 | 176.7 | -169.3 | 0 | 0 | 0 | 0 | 107.8 | C398 M420 T422 E424 | C398-C432 PolarHBondContact N-SG 3.34Å; M420-C432 HydrophobicContact CE-CB 3.74Å; T422-C432 HydrophobicContact CG2-CB 4.15Å; E424-C432 VanDerWaalsContact CA-O 3.32Å; E424-C432 WeakPolarHBondContact CA-O 3.4Å; E424-C432 WeakPolarHBondContact CB-O 3.44Å; E424-C432 PolarHBondContact O-N 2.89Å | ||
| 433 | V | 98.1 | Very high | 95.8 | Very high | 37 Ų | 37 | 68.8 Ų | 68.8 | 22% | 0.224 | 36% | 0.364 | C | S | . | . | trans | -79.3 | 153.1 | 166 | -52.9 | 0 | 0 | 0 | 0 | 109.4 | C398 V403 Y435 | C398-V433 HydrophobicContact CB-CG2 3.97Å; C398-V433 WeakPolarHBondContact O-CG2 3.46Å; C398-V433 PolarHBondContact O-N 3.28Å; V403-V433 HydrophobicContact CG2-CG2 3.78Å; V433-Y435 WeakPolarHBondContact O-CD1 3.3Å; V433-Y435 PolarHBondContact O-N 2.99Å | ||
| 434 | R | 98.2 | Very high | 95.9 | Very high | 81 Ų | 81 | 68.6 Ų | 68.6 | 31% | 0.306 | 37% | 0.371 | S | S | . | . | trans | -59.7 | 120.4 | 166.4 | -148.9 | 166.2 | 80 | 92.1 | -6.6 | 109.6 | E424 W436 P437 E438 | E424-R434 VanDerWaalsContact OE2-CB 3.31Å; E424-R434 WeakPolarHBondContact OE2-CB 3.37Å; E424-R434 PolarHBondContact OE2-N 3.36Å; R434-W436 HydrophobicContact CG-CD2 3.88Å; R434-W436 HydrophobicContact CG-CE3 4.32Å; R434-W436 HydrophobicContact CG-CG 4.35Å; R434-W436 HydrophobicContact CG-CH2 4.19Å; R434-W436 HydrophobicContact CG-CZ2 3.74Å; R434-W436 HydrophobicContact CG-CZ3 4.45Å; R434-W436 VanDerWaalsContact CZ-O 3.22Å; R434-W436 PolarHBondContact NH1-O 3.4Å; R434-P437 PolarHBondContact NH1-O 3.29Å; R434-E438 IonicContact CZ-OE1 2.71Å; R434-E438 IonicContact NE-OE1 3.13Å; R434-E438 VanDerWaalsContact NH2-CD 3.27Å; R434-E438 VanDerWaalsContact NH2-N 3.18Å; R434-E438 IonicContact NH2-OE1 2.69Å; R434-E438 PolarHBondContact NH2-OE1 3.03Å | ||
| 435 | Y | 98.2 | Very high | 95.9 | Very high | 6 Ų | 6 | 65.5 Ų | 65.5 | 2% | 0.024 | 36% | 0.356 | C | S | . | . | trans | -114.6 | 1.8 | 177.3 | 60.1 | -95.1 | 0 | 0 | 0 | 112.4 | C398 F406 W407 I418 M420 V433 H487 H528 | C398-Y435 HydrophobicContact CB-CD1 3.95Å; C398-Y435 HydrophobicContact CB-CG 4.38Å; F406-Y435 AromaticContact CD1-CD2 3.85Å; F406-Y435 HydrophobicContact CD1-CD2 3.85Å; F406-Y435 HydrophobicContact CD1-CE2 4.17Å; F406-Y435 HydrophobicContact CD1-CG 4.36Å; F406-Y435 AromaticContact CE1-CD2 3.5Å; F406-Y435 HydrophobicContact CE1-CD2 3.5Å; F406-Y435 AromaticContact CE1-CE2 3.35Å; F406-Y435 HydrophobicContact CE1-CE2 3.35Å; F406-Y435 HydrophobicContact CE1-CG 4.31Å; F406-Y435 HydrophobicContact CZ-CD2 4.3Å; F406-Y435 AromaticContact CZ-CE2 3.79Å; F406-Y435 HydrophobicContact CZ-CE2 3.79Å; W407-Y435 AromaticContact CE2-CD2 3.97Å; W407-Y435 AromaticContact CZ2-CD2 3.69Å; W407-Y435 HydrophobicContact CZ2-CD2 3.69Å; W407-Y435 HydrophobicContact CZ2-CE2 4.09Å; W407-Y435 AromaticContact NE1-CD2 3.95Å; W407-Y435 PolarHBondContact NE1-O 3.04Å; I418-Y435 WeakPolarHBondContact CG2-OH 3.47Å; M420-Y435 HydrophobicContact SD-CE1 4.18Å; V433-Y435 WeakPolarHBondContact O-CD1 3.3Å; V433-Y435 PolarHBondContact O-N 2.99Å; Y435-H487 AromaticContact CZ-CD2 3.98Å; Y435-H487 AromaticContact CZ-NE2 3.59Å; Y435-H487 PolarHBondContact OH-CD2 3.1Å; Y435-H487 PolarHBondContact OH-NE2 2.81Å; Y435-H528 AromaticContact CE1-CE1 3.77Å; Y435-H528 AromaticContact CE1-NE2 3.67Å; Y435-H528 AromaticContact CZ-NE2 3.63Å; Y435-H528 PolarHBondContact OH-NE2 3.03Å | ||
| 436 | W | 98.1 | Very high | 95.8 | Very high | 11 Ų | 11 | 60.3 Ų | 60.3 | 4% | 0.042 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -109.4 | 156 | 174.3 | 59.7 | 92.1 | 0 | 0 | 0 | 110.5 | M420 E424 R434 L469 H487 | M420-W436 HydrophobicContact CE-CH2 3.92Å; M420-W436 HydrophobicContact CE-CZ3 4.16Å; M420-W436 HydrophobicContact SD-CH2 3.62Å; M420-W436 HydrophobicContact SD-CZ3 3.54Å; M420-W436 VanDerWaalsContact SD-CZ3 3.54Å; E424-W436 HydrophobicContact CG-CH2 4.29Å; R434-W436 HydrophobicContact CG-CD2 3.88Å; R434-W436 HydrophobicContact CG-CE3 4.32Å; R434-W436 HydrophobicContact CG-CG 4.35Å; R434-W436 HydrophobicContact CG-CH2 4.19Å; R434-W436 HydrophobicContact CG-CZ2 3.74Å; R434-W436 HydrophobicContact CG-CZ3 4.45Å; R434-W436 VanDerWaalsContact CZ-O 3.22Å; R434-W436 PolarHBondContact NH1-O 3.4Å; W436-L469 HydrophobicContact CB-CD1 4.21Å; W436-L469 HydrophobicContact CB-CD2 4.35Å; W436-H487 AromaticContact CE3-CE1 3.76Å; W436-H487 AromaticContact CE3-NE2 3.99Å; W436-H487 AromaticContact CZ3-CE1 3.76Å; W436-H487 AromaticContact CZ3-NE2 3.97Å |
| 437 | P | 97.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.006 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -74 | 163.3 | -179.9 | 29.2 | -37 | 0 | 0 | 0 | 112.4 | R434 Q441 T443 L453 L455 | R434-P437 PolarHBondContact NH1-O 3.29Å; P437-Q441 WeakPolarHBondContact CB-O 3.5Å; P437-T443 HydrophobicContact CB-CG2 4.06Å; P437-L453 VanDerWaalsContact CD-CG 3.5Å; P437-L453 HydrophobicContact CG-CD2 4.33Å; P437-L453 HydrophobicContact CG-CG 3.93Å; P437-L455 HydrophobicContact CG-CB 4.16Å |
| 438 | E | 95.4 | Very high | 95.9 | Very high | 90 Ų | 90 | 61.7 Ų | 61.7 | 42% | 0.421 | 34% | 0.335 | S | S | . | . | B | Isolated β-bridge | trans | -79.9 | 163.6 | 166.8 | -106.8 | 155 | -114.5 | 0 | 0 | 110.7 | R434 N440 Q441 | R434-E438 IonicContact CZ-OE1 2.71Å; R434-E438 IonicContact NE-OE1 3.13Å; R434-E438 VanDerWaalsContact NH2-CD 3.27Å; R434-E438 VanDerWaalsContact NH2-N 3.18Å; R434-E438 IonicContact NH2-OE1 2.69Å; R434-E438 PolarHBondContact NH2-OE1 3.03Å; E438-N440 PolarHBondContact O-N 3.4Å; E438-Q441 HydrophobicContact CB-CB 4.13Å; E438-Q441 HydrophobicContact CB-CG 4.28Å; E438-Q441 PolarHBondContact O-N 3.41Å; E438-Q441 VanDerWaalsContact O-N 3.15Å; E438-Q441 PolarHBondContact OE2-NE2 3.16Å; E438-Q441 VanDerWaalsContact OE2-NE2 3.14Å |
| 439 | A | 93.1 | Very high | 95.9 | Very high | 58 Ų | 58 | 63 Ų | 63 | 48% | 0.479 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 135.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q441 L455 | A439-Q441 PolarHBondContact O-N 3.13Å; A439-Q441 VanDerWaalsContact O-N 3.14Å; A439-L455 HydrophobicContact CB-CD2 4.23Å |
| 440 | N | 92.6 | Very high | 95.8 | Very high | 161 Ų | 161 | 58.9 Ų | 58.9 | 86% | 0.861 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 15.4 | -178.7 | -50 | -46.1 | 0 | 0 | 0 | 115.4 | E438 | E438-N440 PolarHBondContact O-N 3.4Š|
| 441 | Q | 96.2 | Very high | 95.8 | Very high | 105 Ų | 105 | 55.7 Ų | 55.7 | 49% | 0.491 | 28% | 0.28 | S | S | . | . | B | Isolated β-bridge | trans | -126.1 | 77 | 176.9 | -64.3 | 179.3 | 21.3 | 0 | 0 | 111.2 | P437 E438 A439 | P437-Q441 WeakPolarHBondContact CB-O 3.5Å; E438-Q441 HydrophobicContact CB-CB 4.13Å; E438-Q441 HydrophobicContact CB-CG 4.28Å; E438-Q441 PolarHBondContact O-N 3.41Å; E438-Q441 VanDerWaalsContact O-N 3.15Å; E438-Q441 PolarHBondContact OE2-NE2 3.16Å; E438-Q441 VanDerWaalsContact OE2-NE2 3.14Å; A439-Q441 PolarHBondContact O-N 3.13Å; A439-Q441 VanDerWaalsContact O-N 3.14Å |
| 442 | P | 95.8 | Very high | 95.8 | Very high | 73 Ų | 73 | 58 Ų | 58 | 47% | 0.474 | 29% | 0.29 | S | S | . | . | trans | -59.5 | 141.1 | 176.6 | -20.1 | 32.2 | 0 | 0 | 0 | 111.7 | L453 T454 | P442-L453 WeakPolarHBondContact CA-O 3.27Å; P442-T454 HydrophobicContact CG-CG2 4.32Å | ||
| 443 | T | 97 | Very high | 95.8 | Very high | 58 Ų | 58 | 57.9 Ų | 57.9 | 36% | 0.356 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 154 | 179.8 | 56 | 0 | 0 | 0 | 0 | 111.1 | P437 L453 | P437-T443 HydrophobicContact CB-CG2 4.06Å; T443-L453 PolarHBondContact N-O 2.89Å; T443-L453 PolarHBondContact O-N 3.3Å |
| 444 | T | 97.2 | Very high | 95.8 | Very high | 85 Ų | 85 | 58 Ų | 58 | 52% | 0.521 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 141.7 | 170.4 | 54.6 | 0 | 0 | 0 | 0 | 111.1 | I451 | T444-I451 CarbonylContact C-O 3.58Å; T444-I451 VanDerWaalsContact CA-O 3.32Å; T444-I451 WeakPolarHBondContact CA-O 3.1Å |
| 445 | T | 96.7 | Very high | 95.8 | Very high | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.018 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | -177 | -171.7 | -169.6 | 0 | 0 | 0 | 0 | 110.8 | D404 W407 K449 E450 I451 L453 | D404-T445 VanDerWaalsContact OD1-CA 3.28Å; D404-T445 WeakPolarHBondContact OD1-CA 3.26Å; D404-T445 PolarHBondContact OD1-OG1 3.4Å; W407-T445 HydrophobicContact CB-CG2 3.53Å; W407-T445 HydrophobicContact CD2-CG2 4.32Å; W407-T445 HydrophobicContact CG-CG2 3.51Å; T445-K449 CarbonylContact O-C 3.52Å; T445-K449 VanDerWaalsContact O-C 3.27Å; T445-K449 VanDerWaalsContact O-CA 3.3Å; T445-K449 WeakPolarHBondContact O-CA 3.33Å; T445-E450 PolarHBondContact O-N 2.92Å; T445-I451 HydrophobicContact CG2-CB 3.92Å; T445-I451 HydrophobicContact CG2-CG2 3.97Å; T445-I451 PolarHBondContact N-O 3.25Å; T445-I451 WeakPolarHBondContact O-CB 3.37Å; T445-I451 PolarHBondContact O-N 3.19Å; T445-L453 HydrophobicContact CG2-CB 4.44Å |
| 446 | G | 95.1 | Very high | 95.8 | Very high | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | S | Bend | trans | 78.2 | -179 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | D404 R448 K449 | D404-G446 WeakPolarHBondContact O-CA 3.25Å; D404-G446 PolarHBondContact OD1-N 3.48Å; D404-G446 VanDerWaalsContact OD1-N 3.1Å; G446-R448 PolarHBondContact O-N 3.16Å; G446-K449 PolarHBondContact O-N 2.86Å; G446-K449 VanDerWaalsContact O-N 3.09Å |
| 447 | F | 92.9 | Very high | 95.8 | Very high | 16 Ų | 16 | 60.9 Ų | 60.9 | 7% | 0.07 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -60.3 | 135.5 | 177.5 | -62.8 | -35.3 | 0 | 0 | 0 | 110.9 | L303 R304 N305 G306 S313 D405 E408 K449 E450 | L303-F447 HydrophobicContact CB-CE2 4.17Å; L303-F447 HydrophobicContact CB-CZ 3.88Å; L303-F447 HydrophobicContact CD1-CE1 4.33Å; L303-F447 HydrophobicContact CD1-CZ 3.72Å; L303-F447 HydrophobicContact CG-CZ 4.43Å; R304-F447 WeakPolarHBondContact O-CE2 3.07Å; N305-F447 WeakPolarHBondContact O-CD2 3.3Å; G306-F447 VanDerWaalsContact N-CE2 3.29Å; S313-F447 WeakPolarHBondContact O-CZ 3.3Å; D405-F447 WeakPolarHBondContact OD1-CE1 3.45Å; E408-F447 HydrophobicContact CB-CD2 4.33Å; E408-F447 HydrophobicContact CB-CE2 4.24Å; E408-F447 HydrophobicContact CB-CZ 4.39Å; E408-F447 HydrophobicContact CG-CD2 3.53Å; E408-F447 HydrophobicContact CG-CE2 3.51Å; E408-F447 HydrophobicContact CG-CG 4.2Å; E408-F447 HydrophobicContact CG-CZ 4.14Å; E408-F447 PolarHBondContact OE2-N 3.46Å; E408-F447 VanDerWaalsContact OE2-N 3.07Å; F447-K449 PolarHBondContact O-N 3.01Å; F447-E450 PolarHBondContact O-N 3.02Å |
| 448 | R | 92 | Very high | 95.8 | Very high | 177 Ų | 177 | 65.6 Ų | 65.6 | 67% | 0.668 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | 54.5 | 18.6 | -177.3 | -54.5 | 170.6 | -65.7 | -165.1 | 3.9 | 114.1 | G446 E450 | G446-R448 PolarHBondContact O-N 3.16Å; R448-E450 VanDerWaalsContact C-N 3.28Å; R448-E450 HydrophobicContact CB-CG 4.1Å; R448-E450 IonicContact CZ-OE1 3.09Å; R448-E450 IonicContact CZ-OE2 3.02Å; R448-E450 IonicContact NE-OE1 3.51Å; R448-E450 PolarHBondContact NE-OE1 3.22Å; R448-E450 IonicContact NE-OE2 3.71Å; R448-E450 VanDerWaalsContact NH2-CD 3.31Å; R448-E450 IonicContact NH2-OE1 2.98Å; R448-E450 PolarHBondContact NH2-OE1 2.62Å; R448-E450 IonicContact NH2-OE2 3.97Å; R448-E450 PolarHBondContact NH2-OE2 3.35Å; R448-E450 PolarHBondContact O-N 2.85Å |
| 449 | K | 93.7 | Very high | 95.9 | Very high | 101 Ų | 101 | 67.2 Ų | 67.2 | 44% | 0.439 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | 60.4 | 31.7 | -178.8 | -55.4 | -64.9 | -179.8 | -179.2 | 0 | 114.2 | D404 T445 G446 F447 | D404-K449 IonicContact OD1-NZ 3.98Å; D404-K449 PolarHBondContact OD1-NZ 2.95Å; D404-K449 WeakPolarHBondContact OD2-CE 3.31Å; D404-K449 IonicContact OD2-NZ 2.62Å; D404-K449 PolarHBondContact OD2-NZ 3.09Å; T445-K449 CarbonylContact O-C 3.52Å; T445-K449 VanDerWaalsContact O-C 3.27Å; T445-K449 VanDerWaalsContact O-CA 3.3Å; T445-K449 WeakPolarHBondContact O-CA 3.33Å; G446-K449 PolarHBondContact O-N 2.86Å; G446-K449 VanDerWaalsContact O-N 3.09Å; F447-K449 PolarHBondContact O-N 3.01Å |
| 450 | E | 93.3 | Very high | 96 | Very high | 59 Ų | 59 | 69 Ų | 69 | 28% | 0.276 | 35% | 0.352 | S | S | . | . | trans | -80 | -12.4 | -175.4 | -70.3 | 175 | 169.1 | 0 | 0 | 114.7 | T445 F447 R448 K473 | T445-E450 PolarHBondContact O-N 2.92Å; F447-E450 PolarHBondContact O-N 3.02Å; R448-E450 VanDerWaalsContact C-N 3.28Å; R448-E450 HydrophobicContact CB-CG 4.1Å; R448-E450 IonicContact CZ-OE1 3.09Å; R448-E450 IonicContact CZ-OE2 3.02Å; R448-E450 IonicContact NE-OE1 3.51Å; R448-E450 PolarHBondContact NE-OE1 3.22Å; R448-E450 IonicContact NE-OE2 3.71Å; R448-E450 VanDerWaalsContact NH2-CD 3.31Å; R448-E450 IonicContact NH2-OE1 2.98Å; R448-E450 PolarHBondContact NH2-OE1 2.62Å; R448-E450 IonicContact NH2-OE2 3.97Å; R448-E450 PolarHBondContact NH2-OE2 3.35Å; R448-E450 PolarHBondContact O-N 2.85Å; E450-K473 HydrophobicContact CB-CG 4.38Å | ||
| 451 | I | 96 | Very high | 96.1 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 116.8 | 179.3 | -57.7 | 172.9 | 0 | 0 | 0 | 108.6 | W407 W411 T444 T445 L471 K473 | W407-I451 HydrophobicContact CB-CD1 4.44Å; W411-I451 HydrophobicContact CB-CD1 3.77Å; W411-I451 HydrophobicContact CG-CD1 4.15Å; T444-I451 CarbonylContact C-O 3.58Å; T444-I451 VanDerWaalsContact CA-O 3.32Å; T444-I451 WeakPolarHBondContact CA-O 3.1Å; T445-I451 HydrophobicContact CG2-CB 3.92Å; T445-I451 HydrophobicContact CG2-CG2 3.97Å; T445-I451 PolarHBondContact N-O 3.25Å; T445-I451 WeakPolarHBondContact O-CB 3.37Å; T445-I451 PolarHBondContact O-N 3.19Å; I451-L471 HydrophobicContact CG2-CB 4.45Å; I451-L471 HydrophobicContact CG2-CG 4.46Å; I451-K473 HydrophobicContact CG1-CB 4.4Å; I451-K473 HydrophobicContact CG1-CD 3.92Å; I451-K473 HydrophobicContact CG1-CG 4.07Å |
| 452 | K | 96.9 | Very high | 95.9 | Very high | 93 Ų | 93 | 64.8 Ų | 64.8 | 40% | 0.404 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 129 | 169.4 | -176.3 | 179.7 | 179.2 | -179.5 | 0 | 109.5 | L471 S472 W480 | K452-L471 CarbonylContact O-C 3.48Å; K452-L471 WeakPolarHBondContact O-CA 3.37Å; K452-S472 PolarHBondContact N-O 2.79Å; K452-S472 PolarHBondContact O-N 3.21Å; K452-W480 HydrophobicContact CB-CZ3 4.35Å |
| 453 | L | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 125.9 | -177.6 | -175.7 | 63.6 | 0 | 0 | 0 | 110.1 | W407 P437 P442 T443 T445 L469 C470 L471 | W407-L453 HydrophobicContact CD2-CD2 4.09Å; W407-L453 HydrophobicContact CH2-CD1 3.85Å; W407-L453 HydrophobicContact CH2-CD2 4.01Å; W407-L453 HydrophobicContact CZ2-CD1 4.03Å; W407-L453 HydrophobicContact CZ2-CD2 3.3Å; W407-L453 HydrophobicContact CZ2-CG 4.32Å; W407-L453 HydrophobicContact CZ3-CD1 4.1Å; P437-L453 VanDerWaalsContact CD-CG 3.5Å; P437-L453 HydrophobicContact CG-CD2 4.33Å; P437-L453 HydrophobicContact CG-CG 3.93Å; P442-L453 WeakPolarHBondContact CA-O 3.27Å; T443-L453 PolarHBondContact N-O 2.89Å; T443-L453 PolarHBondContact O-N 3.3Å; T445-L453 HydrophobicContact CG2-CB 4.44Å; L453-L469 HydrophobicContact CD1-CB 3.98Å; L453-L469 HydrophobicContact CD1-CD1 4.36Å; L453-C470 WeakPolarHBondContact CA-O 3.43Å; L453-L471 HydrophobicContact CD1-CD1 3.48Å; L453-L471 VanDerWaalsContact CD1-CD1 3.48Å; L453-L471 HydrophobicContact CD1-CG 3.88Å |
| 454 | T | 97.8 | Very high | 95.8 | Very high | 39 Ų | 39 | 61.3 Ų | 61.3 | 24% | 0.239 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 133.4 | -178.9 | -52.4 | 0 | 0 | 0 | 0 | 110.7 | P442 L469 C470 | P442-T454 HydrophobicContact CG-CG2 4.32Å; T454-L469 CarbonylContact O-C 3.27Å; T454-L469 WeakPolarHBondContact O-CA 3.11Å; T454-C470 PolarHBondContact N-O 2.82Å; T454-C470 PolarHBondContact O-N 2.86Å |
| 455 | L | 98.4 | Very high | 95.9 | Very high | 24 Ų | 24 | 57.4 Ų | 57.4 | 13% | 0.126 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 119.5 | 170.2 | 179.8 | 62.2 | 0 | 0 | 0 | 109.5 | P437 A439 A457 R467 L469 | P437-L455 HydrophobicContact CG-CB 4.16Å; A439-L455 HydrophobicContact CB-CD2 4.23Å; L455-A457 WeakPolarHBondContact CD1-O 3.3Å; L455-R467 HydrophobicContact CD1-CB 3.73Å; L455-R467 HydrophobicContact CD1-CG 4.04Å; L455-L469 HydrophobicContact CB-CD2 4.28Å; L455-L469 HydrophobicContact CD1-CD2 3.72Å |
| 456 | V | 97.7 | Very high | 95.9 | Very high | 84 Ų | 84 | 57.4 Ų | 57.4 | 51% | 0.509 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | -42.4 | -176.8 | 178.9 | 0 | 0 | 0 | 0 | 111.4 | T468 C470 F484 | V456-T468 HydrophobicContact CB-CG2 4.41Å; V456-T468 WeakPolarHBondContact CB-O 3.24Å; V456-T468 PolarHBondContact N-O 2.81Å; V456-C470 HydrophobicContact CG2-CB 3.74Å; V456-F484 HydrophobicContact CG2-CE1 4.21Å |
| 457 | A | 97.7 | Very high | 96.1 | Very high | 50 Ų | 50 | 58.6 Ų | 58.6 | 41% | 0.413 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 150.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | L455 R467 T468 | L455-A457 WeakPolarHBondContact CD1-O 3.3Å; A457-R467 CarbonylContact O-C 3.52Å; A457-R467 WeakPolarHBondContact O-CA 3.42Å; A457-T468 PolarHBondContact N-O 3.49Å; A457-T468 PolarHBondContact O-N 3.28Å |
| 458 | E | 97.9 | Very high | 96.4 | Very high | 101 Ų | 101 | 59.2 Ų | 59.2 | 47% | 0.472 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 134.1 | 172.1 | -178.8 | 171.6 | -128.7 | 0 | 0 | 108.8 | V460 V466 R467 | E458-V460 HydrophobicContact CG-CG2 4.13Å; E458-V466 CarbonylContact C-O 3.58Å; E458-V466 WeakPolarHBondContact CA-O 3.24Å; E458-R467 HydrophobicContact CB-CG 4.31Å; E458-R467 HydrophobicContact CG-CG 3.97Å; E458-R467 IonicContact OE1-CZ 3.15Å; E458-R467 IonicContact OE1-NE 3.95Å; E458-R467 PolarHBondContact OE1-NE 2.89Å; E458-R467 IonicContact OE1-NH2 2.82Å; E458-R467 PolarHBondContact OE1-NH2 3.02Å |
| 459 | R | 97 | Very high | 96.7 | Very high | 124 Ų | 124 | 50.8 Ų | 50.8 | 47% | 0.468 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 142.9 | 167.4 | 62.4 | 172.5 | -178.8 | -117.7 | -1.5 | 109.2 | A465 V466 Y488 E511 | R459-A465 CarbonylContact O-C 3.59Å; R459-A465 VanDerWaalsContact O-CA 3.28Å; R459-A465 WeakPolarHBondContact O-CA 3.47Å; R459-V466 HydrophobicContact CG-CB 3.66Å; R459-V466 HydrophobicContact CG-CG2 4.12Å; R459-V466 PolarHBondContact N-O 3.04Å; R459-V466 PolarHBondContact O-N 2.87Å; R459-Y488 PolarHBondContact NH2-OH 3.38Å; R459-E511 IonicContact CZ-OE1 3.34Å; R459-E511 IonicContact NE-OE1 3.87Å; R459-E511 IonicContact NH2-OE1 2.7Å; R459-E511 PolarHBondContact NH2-OE1 3.02Å |
| 460 | V | 96.6 | Very high | 96.9 | Very high | 95 Ų | 95 | 47 Ų | 47 | 58% | 0.576 | 26% | 0.256 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 130.5 | 177.8 | -172 | 0 | 0 | 0 | 0 | 108.4 | E458 A465 L491 | E458-V460 HydrophobicContact CG-CG2 4.13Å; V460-A465 HydrophobicContact CB-CB 4.45Å; V460-A465 HydrophobicContact CG1-CB 4.29Å; V460-A465 HydrophobicContact CG2-CB 3.89Å; V460-L491 HydrophobicContact CG1-CD1 4.4Å |
| 461 | N | 94 | Very high | 97.1 | Very high | 70 Ų | 70 | 44.3 Ų | 44.3 | 37% | 0.374 | 24% | 0.243 | S | C | . | . | trans | -119.5 | -172.6 | 168.9 | 68.4 | 31.5 | 0 | 0 | 0 | 109.9 | D463 F464 | N461-D463 PolarHBondContact O-N 3.08Å; N461-D463 PolarHBondContact OD1-N 3.38Å; N461-F464 PolarHBondContact N-O 2.82Å; N461-F464 WeakPolarHBondContact ND2-CE1 3.48Å; N461-F464 WeakPolarHBondContact ND2-CE2 3.44Å; N461-F464 WeakPolarHBondContact ND2-CZ 3.49Å; N461-F464 WeakPolarHBondContact OD1-CD1 3.23Å; N461-F464 PolarHBondContact OD1-N 3.24Å; N461-F464 PolarHBondContact OD1-O 3.44Å; N461-F464 VanDerWaalsContact OD1-O 3.04Å | ||
| 462 | S | 91.5 | Very high | 97.1 | Very high | 108 Ų | 108 | 45.1 Ų | 45.1 | 76% | 0.755 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -62.5 | -28.9 | -178.1 | 53.8 | 0 | 0 | 0 | 0 | 113.9 | ||
| 463 | D | 94.8 | Very high | 97 | Very high | 49 Ų | 49 | 41.7 Ų | 41.7 | 26% | 0.262 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -103.8 | -33.1 | -170.2 | -67.4 | -29.1 | 0 | 0 | 0 | 113.1 | N461 L491 A492 | N461-D463 PolarHBondContact O-N 3.08Å; N461-D463 PolarHBondContact OD1-N 3.38Å; D463-L491 WeakPolarHBondContact O-CA 3.17Å; D463-L491 PolarHBondContact O-N 3.48Å; D463-A492 HydrophobicContact CB-CB 4.18Å; D463-A492 PolarHBondContact O-N 3.41Å |
| 464 | F | 97.1 | Very high | 96.5 | Very high | 9 Ų | 9 | 48.8 Ų | 48.8 | 4% | 0.039 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 159.8 | -173.9 | 59.3 | -90.2 | 0 | 0 | 0 | 113.5 | N461 V466 H489 F490 F508 E511 | N461-F464 PolarHBondContact N-O 2.82Å; N461-F464 WeakPolarHBondContact ND2-CE1 3.48Å; N461-F464 WeakPolarHBondContact ND2-CE2 3.44Å; N461-F464 WeakPolarHBondContact ND2-CZ 3.49Å; N461-F464 WeakPolarHBondContact OD1-CD1 3.23Å; N461-F464 PolarHBondContact OD1-N 3.24Å; N461-F464 PolarHBondContact OD1-O 3.44Å; N461-F464 VanDerWaalsContact OD1-O 3.04Å; F464-V466 HydrophobicContact CD2-CG2 3.56Å; F464-V466 HydrophobicContact CE2-CG2 3.59Å; F464-H489 CarbonylContact C-O 3.37Å; F464-H489 WeakPolarHBondContact CA-O 3.48Å; F464-H489 VanDerWaalsContact CB-O 3.23Å; F464-H489 WeakPolarHBondContact CB-O 3.43Å; F464-F490 HydrophobicContact CB-CD2 4.33Å; F464-F508 HydrophobicContact CB-CD2 3.78Å; F464-F508 HydrophobicContact CB-CE2 3.76Å; F464-F508 HydrophobicContact CD1-CB 4.32Å; F464-F508 AromaticContact CD1-CD2 3.57Å; F464-F508 HydrophobicContact CD1-CD2 3.57Å; F464-F508 HydrophobicContact CD1-CE2 4.38Å; F464-F508 HydrophobicContact CD1-CG 4.41Å; F464-F508 AromaticContact CD2-CD2 3.9Å; F464-F508 HydrophobicContact CD2-CD2 3.9Å; F464-F508 HydrophobicContact CD2-CE2 4.11Å; F464-F508 HydrophobicContact CE1-CB 4.33Å; F464-F508 HydrophobicContact CE1-CD2 4.04Å; F464-F508 HydrophobicContact CE2-CD2 4.33Å; F464-F508 AromaticContact CG-CD2 3.49Å; F464-F508 HydrophobicContact CG-CD2 3.49Å; F464-F508 VanDerWaalsContact CG-CD2 3.49Å; F464-F508 AromaticContact CG-CE2 3.86Å; F464-F508 HydrophobicContact CG-CE2 3.86Å; F464-F508 HydrophobicContact CZ-CD2 4.39Å; F464-E511 WeakPolarHBondContact CE2-OE1 3.43Å; F464-E511 VanDerWaalsContact CZ-OE2 3.3Å; F464-E511 WeakPolarHBondContact CZ-OE2 3.33Å |
| 465 | A | 97.9 | Very high | 95.9 | Very high | 2 Ų | 2 | 53.1 Ų | 53.1 | 2% | 0.017 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 147.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | R459 V460 H489 L491 | R459-A465 CarbonylContact O-C 3.59Å; R459-A465 VanDerWaalsContact O-CA 3.28Å; R459-A465 WeakPolarHBondContact O-CA 3.47Å; V460-A465 HydrophobicContact CB-CB 4.45Å; V460-A465 HydrophobicContact CG1-CB 4.29Å; V460-A465 HydrophobicContact CG2-CB 3.89Å; A465-H489 HydrophobicContact CB-CB 4.32Å; A465-H489 PolarHBondContact N-O 3.27Å; A465-H489 PolarHBondContact O-N 3.3Å; A465-L491 HydrophobicContact CB-CD1 4.16Å |
| 466 | V | 98.4 | Very high | 95.1 | Very high | 4 Ų | 4 | 60.4 Ų | 60.4 | 2% | 0.024 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 127.1 | 172.4 | -170.1 | 0 | 0 | 0 | 0 | 109 | E458 R459 F464 H487 Y488 | E458-V466 CarbonylContact C-O 3.58Å; E458-V466 WeakPolarHBondContact CA-O 3.24Å; R459-V466 HydrophobicContact CG-CB 3.66Å; R459-V466 HydrophobicContact CG-CG2 4.12Å; R459-V466 PolarHBondContact N-O 3.04Å; R459-V466 PolarHBondContact O-N 2.87Å; F464-V466 HydrophobicContact CD2-CG2 3.56Å; F464-V466 HydrophobicContact CE2-CG2 3.59Å; V466-H487 CarbonylContact C-O 3.58Å; V466-H487 VanDerWaalsContact CA-O 3.32Å; V466-H487 WeakPolarHBondContact CA-O 3.47Å; V466-Y488 HydrophobicContact CB-CD1 4.49Å; V466-Y488 HydrophobicContact CB-CE1 4.43Å; V466-Y488 HydrophobicContact CG1-CD1 4.2Å; V466-Y488 HydrophobicContact CG1-CD2 4.17Å; V466-Y488 HydrophobicContact CG1-CE1 3.97Å; V466-Y488 HydrophobicContact CG1-CE2 3.93Å; V466-Y488 HydrophobicContact CG1-CG 4.29Å; V466-Y488 HydrophobicContact CG2-CD1 3.57Å; V466-Y488 HydrophobicContact CG2-CE1 3.55Å; V466-Y488 HydrophobicContact CG2-CG 4.29Å |
| 467 | R | 98.5 | Very high | 94.6 | Very high | 25 Ų | 25 | 61 Ų | 61 | 9% | 0.094 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 134.1 | 176.2 | -60 | 176.1 | -176.7 | 95 | 9.1 | 110.1 | L455 A457 E458 L469 H487 H489 | L455-R467 HydrophobicContact CD1-CB 3.73Å; L455-R467 HydrophobicContact CD1-CG 4.04Å; A457-R467 CarbonylContact O-C 3.52Å; A457-R467 WeakPolarHBondContact O-CA 3.42Å; E458-R467 HydrophobicContact CB-CG 4.31Å; E458-R467 HydrophobicContact CG-CG 3.97Å; E458-R467 IonicContact OE1-CZ 3.15Å; E458-R467 IonicContact OE1-NE 3.95Å; E458-R467 PolarHBondContact OE1-NE 2.89Å; E458-R467 IonicContact OE1-NH2 2.82Å; E458-R467 PolarHBondContact OE1-NH2 3.02Å; R467-L469 HydrophobicContact CB-CD2 4.4Å; R467-H487 HydrophobicContact CB-CB 4.16Å; R467-H487 PolarHBondContact N-O 3.48Å; R467-H487 PolarHBondContact NH1-CE1 3.3Å; R467-H487 VanDerWaalsContact NH1-CE1 3.28Å; R467-H487 PolarHBondContact NH1-ND1 3.33Å; R467-H487 PolarHBondContact O-N 2.9Å; R467-H489 PolarHBondContact NH1-ND1 2.77Å |
| 468 | T | 98.3 | Very high | 93.8 | Very high | 29 Ų | 29 | 65.8 Ų | 65.8 | 18% | 0.178 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 117.3 | 168.9 | -56.5 | 0 | 0 | 0 | 0 | 108 | V456 A457 F484 Y486 | V456-T468 HydrophobicContact CB-CG2 4.41Å; V456-T468 WeakPolarHBondContact CB-O 3.24Å; V456-T468 PolarHBondContact N-O 2.81Å; A457-T468 PolarHBondContact N-O 3.49Å; A457-T468 PolarHBondContact O-N 3.28Å; T468-F484 HydrophobicContact CG2-CD1 3.87Å; T468-Y486 HydrophobicContact CG2-CD1 4.35Å; T468-Y486 HydrophobicContact CG2-CE1 4.09Å |
| 469 | L | 98.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 136.1 | -178 | -57.5 | 173.7 | 0 | 0 | 0 | 109.4 | W407 W436 L453 T454 L455 R467 L471 F484 V485 H487 | W407-L469 HydrophobicContact CH2-CD1 3.56Å; W407-L469 HydrophobicContact CZ2-CD1 4.11Å; W436-L469 HydrophobicContact CB-CD1 4.21Å; W436-L469 HydrophobicContact CB-CD2 4.35Å; L453-L469 HydrophobicContact CD1-CB 3.98Å; L453-L469 HydrophobicContact CD1-CD1 4.36Å; T454-L469 CarbonylContact O-C 3.27Å; T454-L469 WeakPolarHBondContact O-CA 3.11Å; L455-L469 HydrophobicContact CB-CD2 4.28Å; L455-L469 HydrophobicContact CD1-CD2 3.72Å; R467-L469 HydrophobicContact CB-CD2 4.4Å; L469-L471 HydrophobicContact CB-CD1 4.06Å; L469-F484 CarbonylContact O-C 3.59Å; L469-F484 VanDerWaalsContact O-CA 3.29Å; L469-F484 WeakPolarHBondContact O-CA 3.41Å; L469-V485 HydrophobicContact CB-CB 4.46Å; L469-V485 PolarHBondContact N-O 3.08Å; L469-V485 PolarHBondContact O-N 3.34Å; L469-H487 HydrophobicContact CD1-CB 4.02Å |
| 470 | C | 97.9 | Very high | 93.1 | Very high | 22 Ų | 22 | 64.2 Ų | 64.2 | 15% | 0.149 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 118.2 | 168.4 | -173.5 | 0 | 0 | 0 | 0 | 108.8 | L453 T454 V456 F484 | L453-C470 WeakPolarHBondContact CA-O 3.43Å; T454-C470 PolarHBondContact N-O 2.82Å; T454-C470 PolarHBondContact O-N 2.86Å; V456-C470 HydrophobicContact CG2-CB 3.74Å; C470-F484 HydrophobicContact CB-CD1 4.38Å; C470-F484 HydrophobicContact CB-CE1 4.21Å |
| 471 | L | 97.7 | Very high | 93 | Very high | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 125.6 | 172.2 | -75.9 | 64.3 | 0 | 0 | 0 | 107.6 | W407 V410 W411 I451 K452 L453 L469 S482 R483 V485 | W407-L471 HydrophobicContact CE3-CD1 4.45Å; W407-L471 HydrophobicContact CE3-CD2 3.71Å; W407-L471 HydrophobicContact CE3-CG 4.16Å; W407-L471 HydrophobicContact CH2-CD1 4.39Å; W407-L471 HydrophobicContact CZ3-CD1 3.78Å; W407-L471 HydrophobicContact CZ3-CD2 3.72Å; W407-L471 HydrophobicContact CZ3-CG 3.99Å; V410-L471 HydrophobicContact CG1-CD2 3.84Å; W411-L471 HydrophobicContact CE3-CB 4.25Å; W411-L471 HydrophobicContact CE3-CD2 4.39Å; W411-L471 HydrophobicContact CZ3-CB 4.12Å; I451-L471 HydrophobicContact CG2-CB 4.45Å; I451-L471 HydrophobicContact CG2-CG 4.46Å; K452-L471 CarbonylContact O-C 3.48Å; K452-L471 WeakPolarHBondContact O-CA 3.37Å; L453-L471 HydrophobicContact CD1-CD1 3.48Å; L453-L471 VanDerWaalsContact CD1-CD1 3.48Å; L453-L471 HydrophobicContact CD1-CG 3.88Å; L469-L471 HydrophobicContact CB-CD1 4.06Å; L471-S482 CarbonylContact O-C 3.53Å; L471-S482 WeakPolarHBondContact O-CA 3.4Å; L471-R483 PolarHBondContact N-O 2.85Å; L471-R483 PolarHBondContact O-N 3.35Å; L471-V485 HydrophobicContact CD1-CB 3.67Å; L471-V485 HydrophobicContact CD1-CG2 3.48Å; L471-V485 VanDerWaalsContact CD1-CG2 3.48Å; L471-V485 HydrophobicContact CD2-CG2 3.76Å; L471-V485 HydrophobicContact CG-CG2 4.22Å |
| 472 | S | 97.1 | Very high | 93.1 | Very high | 17 Ų | 17 | 62.7 Ų | 62.7 | 12% | 0.119 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 127.4 | 175 | -54.1 | 0 | 0 | 0 | 0 | 109.9 | K452 E481 S482 | K452-S472 PolarHBondContact N-O 2.79Å; K452-S472 PolarHBondContact O-N 3.21Å; S472-E481 CarbonylContact C-O 3.54Å; S472-E481 VanDerWaalsContact CA-O 3.23Å; S472-E481 WeakPolarHBondContact CA-O 3.41Å; S472-S482 WeakPolarHBondContact CB-OG 3.13Å; S472-S482 PolarHBondContact OG-OG 3.49Å |
| 473 | K | 95 | Very high | 93.3 | Very high | 21 Ų | 21 | 59 Ų | 59 | 9% | 0.091 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 139.4 | 174.8 | -162.1 | 176.8 | -174.4 | 167.9 | 0 | 109.4 | E408 W411 E450 I451 E481 | E408-K473 IonicContact OE1-NZ 2.95Å; E408-K473 PolarHBondContact OE1-NZ 3.45Å; E408-K473 IonicContact OE2-NZ 2.88Å; E408-K473 PolarHBondContact OE2-NZ 2.94Å; W411-K473 HydrophobicContact CD2-CB 4.04Å; W411-K473 HydrophobicContact CD2-CD 3.88Å; W411-K473 HydrophobicContact CE3-CB 4.04Å; W411-K473 HydrophobicContact CG-CD 4.07Å; W411-K473 HydrophobicContact CH2-CB 3.36Å; W411-K473 HydrophobicContact CZ2-CB 3.35Å; W411-K473 HydrophobicContact CZ2-CD 4.05Å; W411-K473 HydrophobicContact CZ2-CG 4.26Å; W411-K473 HydrophobicContact CZ3-CB 3.71Å; E450-K473 HydrophobicContact CB-CG 4.38Å; I451-K473 HydrophobicContact CG1-CB 4.4Å; I451-K473 HydrophobicContact CG1-CD 3.92Å; I451-K473 HydrophobicContact CG1-CG 4.07Å; K473-E481 PolarHBondContact N-O 3.31Å; K473-E481 PolarHBondContact O-N 3.15Å |
| 474 | R | 86.6 | Confident | 93.4 | Very high | 150 Ų | 150 | 61.2 Ų | 61.2 | 57% | 0.566 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 132.5 | 176.3 | -166.9 | 176.4 | 65 | 172.7 | 0.2 | 110 | W480 | R474-W480 HydrophobicContact CB-CD2 4.47Å; R474-W480 HydrophobicContact CB-CE3 4.48Å; R474-W480 HydrophobicContact CB-CH2 4.47Å; R474-W480 HydrophobicContact CB-CZ2 4.42Å; R474-W480 HydrophobicContact CB-CZ3 4.49Å |
| 475 | R | 84.9 | Confident | 93.5 | Very high | 130 Ų | 130 | 60.9 Ų | 60.9 | 49% | 0.491 | 29% | 0.29 | S | S | . | . | trans | -85.9 | 168.9 | 174.7 | -67 | 179 | 74 | -144.8 | 8.5 | 110.5 | D477 E478 S479 E481 | R475-D477 WeakPolarHBondContact CB-OD1 3.14Å; R475-D477 IonicContact CZ-OD2 2.79Å; R475-D477 IonicContact NH1-OD1 3.57Å; R475-D477 IonicContact NH1-OD2 3.38Å; R475-D477 PolarHBondContact NH1-OD2 2.62Å; R475-D477 PolarHBondContact O-N 2.71Å; R475-E478 PolarHBondContact O-N 3.4Å; R475-E478 VanDerWaalsContact O-N 3.1Å; R475-S479 WeakPolarHBondContact CB-O 3.2Å; R475-S479 WeakPolarHBondContact CD-OG 3.46Å; R475-S479 PolarHBondContact N-O 3.09Å; R475-S479 PolarHBondContact NH1-OG 3.05Å; R475-E481 HydrophobicContact CG-CB 4.2Å | ||
| 476 | N | 81.9 | Confident | 93.5 | Very high | 177 Ų | 177 | 63.4 Ų | 63.4 | 95% | 0.947 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -26.4 | 179 | -67.1 | -10.4 | 0 | 0 | 0 | 113 | E478 | N476-E478 PolarHBondContact O-N 3.31Š|
| 477 | D | 87.3 | Confident | 93.5 | Very high | 96 Ų | 96 | 63.2 Ų | 63.2 | 51% | 0.513 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | 16.5 | 175.5 | 63.7 | -0.9 | 0 | 0 | 0 | 112.7 | R475 S479 | R475-D477 WeakPolarHBondContact CB-OD1 3.14Å; R475-D477 IonicContact CZ-OD2 2.79Å; R475-D477 IonicContact NH1-OD1 3.57Å; R475-D477 IonicContact NH1-OD2 3.38Å; R475-D477 PolarHBondContact NH1-OD2 2.62Å; R475-D477 PolarHBondContact O-N 2.71Å; D477-S479 PolarHBondContact O-N 2.79Å; D477-S479 VanDerWaalsContact OD1-CB 3.27Å; D477-S479 WeakPolarHBondContact OD1-CB 3.48Å; D477-S479 PolarHBondContact OD1-N 2.82Å; D477-S479 PolarHBondContact OD1-OG 2.86Å; D477-S479 PolarHBondContact OD2-OG 3.4Å |
| 478 | E | 80.9 | Confident | 93.5 | Very high | 150 Ų | 150 | 62.2 Ų | 62.2 | 70% | 0.701 | 30% | 0.295 | S | S | * | . | S | Bend | trans | 62.1 | -1 | -174.7 | -52.8 | -168 | 151.2 | 0 | 0 | 115.7 | R475 N476 | R475-E478 PolarHBondContact O-N 3.4Å; R475-E478 VanDerWaalsContact O-N 3.1Å; N476-E478 PolarHBondContact O-N 3.31Å |
| 479 | S | 89 | Confident | 93.5 | Very high | 43 Ų | 43 | 61.2 Ų | 61.2 | 30% | 0.301 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 155.4 | 174.4 | 73.8 | 0 | 0 | 0 | 0 | 111.4 | R475 D477 | R475-S479 WeakPolarHBondContact CB-O 3.2Å; R475-S479 WeakPolarHBondContact CD-OG 3.46Å; R475-S479 PolarHBondContact N-O 3.09Å; R475-S479 PolarHBondContact NH1-OG 3.05Å; D477-S479 PolarHBondContact O-N 2.79Å; D477-S479 VanDerWaalsContact OD1-CB 3.27Å; D477-S479 WeakPolarHBondContact OD1-CB 3.48Å; D477-S479 PolarHBondContact OD1-N 2.82Å; D477-S479 PolarHBondContact OD1-OG 2.86Å; D477-S479 PolarHBondContact OD2-OG 3.4Å |
| 480 | W | 90.5 | Very high | 93.5 | Very high | 149 Ų | 149 | 61.3 Ų | 61.3 | 56% | 0.564 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 124.9 | 176.7 | -74.2 | 84.2 | 0 | 0 | 0 | 110.4 | K452 R474 | K452-W480 HydrophobicContact CB-CZ3 4.35Å; R474-W480 HydrophobicContact CB-CD2 4.47Å; R474-W480 HydrophobicContact CB-CE3 4.48Å; R474-W480 HydrophobicContact CB-CH2 4.47Å; R474-W480 HydrophobicContact CB-CZ2 4.42Å; R474-W480 HydrophobicContact CB-CZ3 4.49Å |
| 481 | E | 95 | Very high | 93.4 | Very high | 66 Ų | 66 | 62.6 Ų | 62.6 | 31% | 0.308 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 131.6 | 165.6 | -172.1 | -177.6 | 166.5 | 0 | 0 | 108.6 | W411 S472 K473 R475 R483 | W411-E481 HydrophobicContact CH2-CB 3.9Å; W411-E481 HydrophobicContact CH2-CG 3.98Å; W411-E481 WeakPolarHBondContact CH2-O 3.09Å; W411-E481 HydrophobicContact CZ2-CB 4.1Å; W411-E481 HydrophobicContact CZ2-CG 4.2Å; S472-E481 CarbonylContact C-O 3.54Å; S472-E481 VanDerWaalsContact CA-O 3.23Å; S472-E481 WeakPolarHBondContact CA-O 3.41Å; K473-E481 PolarHBondContact N-O 3.31Å; K473-E481 PolarHBondContact O-N 3.15Å; R475-E481 HydrophobicContact CG-CB 4.2Å; E481-R483 IonicContact OE1-CZ 3.03Å; E481-R483 IonicContact OE1-NE 3.67Å; E481-R483 PolarHBondContact OE1-NE 2.99Å; E481-R483 IonicContact OE1-NH2 3.42Å; E481-R483 PolarHBondContact OE1-NH2 3.11Å; E481-R483 IonicContact OE2-NH2 3.23Å |
| 482 | S | 96.2 | Very high | 93.3 | Very high | 68 Ų | 68 | 64.1 Ų | 64.1 | 48% | 0.476 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 141.7 | 177.9 | -62.7 | 0 | 0 | 0 | 0 | 112.3 | L471 S472 | L471-S482 CarbonylContact O-C 3.53Å; L471-S482 WeakPolarHBondContact O-CA 3.4Å; S472-S482 WeakPolarHBondContact CB-OG 3.13Å; S472-S482 PolarHBondContact OG-OG 3.49Å |
| 483 | R | 95.9 | Very high | 93.2 | Very high | 30 Ų | 30 | 63.5 Ų | 63.5 | 11% | 0.113 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 137.2 | -177 | -58.7 | 177.9 | -173.2 | 172.3 | 0.1 | 109.9 | W411 L471 E481 | W411-R483 HydrophobicContact CH2-CG 4.45Å; W411-R483 HydrophobicContact CZ3-CG 4.34Å; W411-R483 PolarHBondContact O-NH1 3.17Å; L471-R483 PolarHBondContact N-O 2.85Å; L471-R483 PolarHBondContact O-N 3.35Å; E481-R483 IonicContact OE1-CZ 3.03Å; E481-R483 IonicContact OE1-NE 3.67Å; E481-R483 PolarHBondContact OE1-NE 2.99Å; E481-R483 IonicContact OE1-NH2 3.42Å; E481-R483 PolarHBondContact OE1-NH2 3.11Å; E481-R483 IonicContact OE2-NH2 3.23Å |
| 484 | F | 97.4 | Very high | 93.1 | Very high | 96 Ų | 96 | 64.6 Ų | 64.6 | 42% | 0.421 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 121.9 | 171 | -70.6 | -72 | 0 | 0 | 0 | 111.3 | R416 V456 T468 L469 C470 | R416-F484 PolarHBondContact NE-O 3.25Å; R416-F484 PolarHBondContact NH2-O 3.33Å; V456-F484 HydrophobicContact CG2-CE1 4.21Å; T468-F484 HydrophobicContact CG2-CD1 3.87Å; L469-F484 CarbonylContact O-C 3.59Å; L469-F484 VanDerWaalsContact O-CA 3.29Å; L469-F484 WeakPolarHBondContact O-CA 3.41Å; C470-F484 HydrophobicContact CB-CD1 4.38Å; C470-F484 HydrophobicContact CB-CE1 4.21Å |
| 485 | V | 98.3 | Very high | 92.6 | Very high | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.012 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 131.5 | 173.9 | 174.5 | 0 | 0 | 0 | 0 | 109.3 | V410 R416 I418 L469 L471 | V410-V485 HydrophobicContact CG1-CG2 4.04Å; R416-V485 CarbonylContact O-C 3.55Å; R416-V485 WeakPolarHBondContact O-CA 3.02Å; I418-V485 HydrophobicContact CD1-CG1 3.58Å; I418-V485 HydrophobicContact CG1-CG1 3.87Å; L469-V485 HydrophobicContact CB-CB 4.46Å; L469-V485 PolarHBondContact N-O 3.08Å; L469-V485 PolarHBondContact O-N 3.34Å; L471-V485 HydrophobicContact CD1-CB 3.67Å; L471-V485 HydrophobicContact CD1-CG2 3.48Å; L471-V485 VanDerWaalsContact CD1-CG2 3.48Å; L471-V485 HydrophobicContact CD2-CG2 3.76Å; L471-V485 HydrophobicContact CG-CG2 4.22Å |
| 486 | Y | 98.5 | Very high | 92.4 | Very high | 55 Ų | 55 | 60.6 Ų | 60.6 | 22% | 0.216 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 112.9 | 179.1 | -56.5 | -87 | 0 | 0 | 0 | 109.4 | R416 I417 I418 T468 L515 L519 | R416-Y486 PolarHBondContact O-N 3.1Å; I417-Y486 WeakPolarHBondContact CA-O 3.46Å; I418-Y486 PolarHBondContact N-O 3.37Å; T468-Y486 HydrophobicContact CG2-CD1 4.35Å; T468-Y486 HydrophobicContact CG2-CE1 4.09Å; Y486-L515 HydrophobicContact CD1-CD1 4.5Å; Y486-L515 HydrophobicContact CD1-CD2 4.08Å; Y486-L515 HydrophobicContact CD2-CD1 4.13Å; Y486-L515 HydrophobicContact CD2-CD2 3.63Å; Y486-L515 HydrophobicContact CD2-CG 4.32Å; Y486-L515 HydrophobicContact CE1-CD1 4.3Å; Y486-L515 HydrophobicContact CE2-CD1 3.92Å; Y486-L515 HydrophobicContact CE2-CD2 4.28Å; Y486-L515 HydrophobicContact CG-CD1 4.4Å; Y486-L515 HydrophobicContact CG-CD2 3.5Å; Y486-L515 VanDerWaalsContact CG-CD2 3.5Å; Y486-L519 HydrophobicContact CE2-CD2 4.15Å |
| 487 | H | 98.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 106 | 179.9 | 175.2 | -107.1 | 0 | 0 | 0 | 109.8 | I418 Y435 W436 V466 R467 L469 | I418-H487 CarbonylContact O-C 3.56Å; Y435-H487 AromaticContact CZ-CD2 3.98Å; Y435-H487 AromaticContact CZ-NE2 3.59Å; Y435-H487 PolarHBondContact OH-CD2 3.1Å; Y435-H487 PolarHBondContact OH-NE2 2.81Å; W436-H487 AromaticContact CE3-CE1 3.76Å; W436-H487 AromaticContact CE3-NE2 3.99Å; W436-H487 AromaticContact CZ3-CE1 3.76Å; W436-H487 AromaticContact CZ3-NE2 3.97Å; V466-H487 CarbonylContact C-O 3.58Å; V466-H487 VanDerWaalsContact CA-O 3.32Å; V466-H487 WeakPolarHBondContact CA-O 3.47Å; R467-H487 HydrophobicContact CB-CB 4.16Å; R467-H487 PolarHBondContact N-O 3.48Å; R467-H487 PolarHBondContact NH1-CE1 3.3Å; R467-H487 VanDerWaalsContact NH1-CE1 3.28Å; R467-H487 PolarHBondContact NH1-ND1 3.33Å; R467-H487 PolarHBondContact O-N 2.9Å; L469-H487 HydrophobicContact CD1-CB 4.02Å |
| 488 | Y | 98.7 | Very high | 93.2 | Very high | 4 Ų | 4 | 51.4 Ų | 51.4 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 115.4 | 176 | -78.1 | -99 | 0 | 0 | 0 | 109.8 | I417 I418 V419 M420 R459 V466 F508 E511 I512 L515 | I417-Y488 HydrophobicContact CG2-CD2 4.13Å; I417-Y488 HydrophobicContact CG2-CE2 4.49Å; I418-Y488 PolarHBondContact O-N 2.86Å; V419-Y488 CarbonylContact C-O 3.58Å; V419-Y488 WeakPolarHBondContact CA-O 3.2Å; M420-Y488 PolarHBondContact N-O 2.76Å; R459-Y488 PolarHBondContact NH2-OH 3.38Å; V466-Y488 HydrophobicContact CB-CD1 4.49Å; V466-Y488 HydrophobicContact CB-CE1 4.43Å; V466-Y488 HydrophobicContact CG1-CD1 4.2Å; V466-Y488 HydrophobicContact CG1-CD2 4.17Å; V466-Y488 HydrophobicContact CG1-CE1 3.97Å; V466-Y488 HydrophobicContact CG1-CE2 3.93Å; V466-Y488 HydrophobicContact CG1-CG 4.29Å; V466-Y488 HydrophobicContact CG2-CD1 3.57Å; V466-Y488 HydrophobicContact CG2-CE1 3.55Å; V466-Y488 HydrophobicContact CG2-CG 4.29Å; Y488-F508 HydrophobicContact CD1-CD2 4.36Å; Y488-F508 AromaticContact CD1-CE2 3.85Å; Y488-F508 HydrophobicContact CD1-CE2 3.85Å; Y488-F508 HydrophobicContact CD1-CZ 4.41Å; Y488-F508 HydrophobicContact CG-CE2 4.29Å; Y488-F508 HydrophobicContact CG-CZ 4.47Å; Y488-E511 HydrophobicContact CE1-CG 4.03Å; Y488-E511 WeakPolarHBondContact CE1-OE1 3.46Å; Y488-I512 HydrophobicContact CD1-CD1 4.17Å; Y488-I512 HydrophobicContact CD1-CG1 3.71Å; Y488-I512 HydrophobicContact CD2-CG1 4Å; Y488-I512 HydrophobicContact CE1-CG1 3.89Å; Y488-I512 HydrophobicContact CE2-CG1 4.17Å; Y488-I512 HydrophobicContact CG-CD1 4.1Å; Y488-I512 HydrophobicContact CG-CG1 3.78Å; Y488-L515 HydrophobicContact CE2-CD2 3.55Å |
| 489 | H | 98.5 | Very high | 93.9 | Very high | 8 Ų | 8 | 44.6 Ų | 44.6 | 4% | 0.037 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 102 | -177.8 | -173.7 | 178.5 | 0 | 0 | 0 | 110 | M420 T422 F464 A465 R467 L491 | M420-H489 HydrophobicContact CB-CB 4.42Å; M420-H489 CarbonylContact O-C 3.58Å; M420-H489 WeakPolarHBondContact O-CA 3.34Å; M420-H489 PolarHBondContact O-CD2 3.46Å; T422-H489 PolarHBondContact O-NE2 3.3Å; F464-H489 CarbonylContact C-O 3.37Å; F464-H489 WeakPolarHBondContact CA-O 3.48Å; F464-H489 VanDerWaalsContact CB-O 3.23Å; F464-H489 WeakPolarHBondContact CB-O 3.43Å; A465-H489 HydrophobicContact CB-CB 4.32Å; A465-H489 PolarHBondContact N-O 3.27Å; A465-H489 PolarHBondContact O-N 3.3Å; R467-H489 PolarHBondContact NH1-ND1 2.77Å; H489-L491 PolarHBondContact O-N 3.01Å |
| 490 | F | 98.1 | Very high | 94 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 0% | 0.004 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 114.7 | 178.2 | -168.2 | -100.6 | 0 | 0 | 0 | 111 | M420 F464 A492 W493 P499 V505 F508 F539 | M420-F490 PolarHBondContact O-N 2.88Å; F464-F490 HydrophobicContact CB-CD2 4.33Å; F490-A492 HydrophobicContact CE1-CB 4.17Å; F490-A492 HydrophobicContact CZ-CB 3.96Å; F490-W493 HydrophobicContact CD1-CB 3.86Å; F490-W493 HydrophobicContact CD1-CE3 4.17Å; F490-W493 HydrophobicContact CE1-CB 3.88Å; F490-W493 AromaticContact CE1-CE3 3.98Å; F490-W493 HydrophobicContact CE1-CE3 3.98Å; F490-P499 HydrophobicContact CE1-CG 4.2Å; F490-V505 HydrophobicContact CE1-CG2 4.06Å; F490-V505 HydrophobicContact CE2-CG2 4.23Å; F490-V505 HydrophobicContact CZ-CG2 3.62Å; F490-F508 HydrophobicContact CB-CE1 4.22Å; F490-F508 HydrophobicContact CB-CE2 4.09Å; F490-F508 HydrophobicContact CB-CZ 3.85Å; F490-F508 HydrophobicContact CD2-CB 4.11Å; F490-F508 HydrophobicContact CD2-CD1 4.09Å; F490-F508 AromaticContact CD2-CD2 3.84Å; F490-F508 HydrophobicContact CD2-CD2 3.84Å; F490-F508 HydrophobicContact CD2-CE1 4.39Å; F490-F508 HydrophobicContact CD2-CE2 4.15Å; F490-F508 AromaticContact CD2-CG 3.75Å; F490-F508 HydrophobicContact CD2-CG 3.75Å; F490-F508 HydrophobicContact CD2-CZ 4.4Å; F490-F508 HydrophobicContact CE2-CB 4.18Å; F490-F508 HydrophobicContact CE2-CG 4.32Å; F490-F539 HydrophobicContact CB-CZ 4.1Å; F490-F539 HydrophobicContact CD1-CE2 4.28Å; F490-F539 AromaticContact CD1-CZ 3.72Å; F490-F539 HydrophobicContact CD1-CZ 3.72Å; F490-F539 HydrophobicContact CD2-CZ 4.16Å; F490-F539 HydrophobicContact CE1-CZ 4.13Å; F490-F539 AromaticContact CG-CZ 3.72Å; F490-F539 HydrophobicContact CG-CZ 3.72Å |
| 491 | L | 96.3 | Very high | 94.2 | Very high | 49 Ų | 49 | 45 Ų | 45 | 26% | 0.257 | 26% | 0.261 | S | S | . | . | trans | -101.8 | -23 | -171.3 | -63.1 | 174.1 | 0 | 0 | 0 | 113.2 | K423 V460 D463 A465 H489 W493 | K423-L491 WeakPolarHBondContact CE-O 3.25Å; K423-L491 HydrophobicContact CG-CD2 4.46Å; V460-L491 HydrophobicContact CG1-CD1 4.4Å; D463-L491 WeakPolarHBondContact O-CA 3.17Å; D463-L491 PolarHBondContact O-N 3.48Å; A465-L491 HydrophobicContact CB-CD1 4.16Å; H489-L491 PolarHBondContact O-N 3.01Å; L491-W493 VanDerWaalsContact C-N 3.27Å; L491-W493 PolarHBondContact O-N 2.93Å | ||
| 492 | A | 95.1 | Very high | 94.2 | Very high | 34 Ų | 34 | 42.4 Ų | 42.4 | 28% | 0.281 | 25% | 0.251 | S | S | . | . | trans | -78.3 | -0.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | D463 F490 P494 | D463-A492 HydrophobicContact CB-CB 4.18Å; D463-A492 PolarHBondContact O-N 3.41Å; F490-A492 HydrophobicContact CE1-CB 4.17Å; F490-A492 HydrophobicContact CZ-CB 3.96Å; A492-P494 WeakPolarHBondContact O-CD 3.4Å | ||
| 493 | W | 95.1 | Very high | 94.2 | Very high | 5 Ų | 5 | 39.2 Ų | 39.2 | 2% | 0.019 | 23% | 0.229 | C | C | . | . | trans | -71.8 | 123.1 | 174.2 | -156.1 | -64.2 | 0 | 0 | 0 | 110.4 | F490 L491 G497 V498 P499 V505 R535 T538 F539 F583 | F490-W493 HydrophobicContact CD1-CB 3.86Å; F490-W493 HydrophobicContact CD1-CE3 4.17Å; F490-W493 HydrophobicContact CE1-CB 3.88Å; F490-W493 AromaticContact CE1-CE3 3.98Å; F490-W493 HydrophobicContact CE1-CE3 3.98Å; L491-W493 VanDerWaalsContact C-N 3.27Å; L491-W493 PolarHBondContact O-N 2.93Å; W493-G497 PolarHBondContact NE1-O 3.27Å; W493-V498 HydrophobicContact CZ2-CG1 4.31Å; W493-P499 HydrophobicContact CD2-CG 3.99Å; W493-P499 HydrophobicContact CE3-CG 3.91Å; W493-P499 HydrophobicContact CG-CG 4.36Å; W493-P499 HydrophobicContact CZ3-CG 4.35Å; W493-V505 HydrophobicContact CZ3-CG2 4.39Å; W493-R535 HydrophobicContact CD2-CB 4.35Å; W493-R535 HydrophobicContact CD2-CG 3.96Å; W493-R535 HydrophobicContact CE3-CB 4.48Å; W493-R535 HydrophobicContact CG-CG 4.34Å; W493-R535 HydrophobicContact CH2-CB 4.25Å; W493-R535 HydrophobicContact CH2-CG 4.4Å; W493-R535 HydrophobicContact CZ2-CB 4.15Å; W493-R535 HydrophobicContact CZ2-CG 3.8Å; W493-R535 HydrophobicContact CZ3-CB 4.43Å; W493-T538 HydrophobicContact CH2-CG2 3.77Å; W493-F539 HydrophobicContact CE3-CD2 4.29Å; W493-F539 AromaticContact CE3-CE2 3.39Å; W493-F539 HydrophobicContact CE3-CE2 3.39Å; W493-F539 AromaticContact CE3-CZ 3.97Å; W493-F539 HydrophobicContact CE3-CZ 3.97Å; W493-F539 HydrophobicContact CH2-CE2 4.42Å; W493-F539 AromaticContact CZ3-CD2 3.76Å; W493-F539 HydrophobicContact CZ3-CD2 3.76Å; W493-F539 AromaticContact CZ3-CE2 3.25Å; W493-F539 HydrophobicContact CZ3-CE2 3.25Å; W493-F539 AromaticContact CZ3-CZ 3.94Å; W493-F539 HydrophobicContact CZ3-CZ 3.94Å; W493-F583 HydrophobicContact CH2-CD1 4.48Å; W493-F583 HydrophobicContact CH2-CE1 4.47Å | ||
| 494 | P | 91.7 | Very high | 94.1 | Very high | 44 Ų | 44 | 38.2 Ų | 38.2 | 29% | 0.286 | 23% | 0.226 | S | C | . | . | trans | -73.1 | 159.1 | -176.9 | 28.8 | -35.2 | 0 | 0 | 0 | 113.7 | A492 H496 V498 R535 | A492-P494 WeakPolarHBondContact O-CD 3.4Å; P494-H496 WeakPolarHBondContact CB-O 3.04Å; P494-H496 VanDerWaalsContact CG-O 3.29Å; P494-H496 WeakPolarHBondContact CG-O 3.15Å; P494-H496 PolarHBondContact O-N 2.88Å; P494-V498 WeakPolarHBondContact CG-O 3.27Å; P494-R535 PolarHBondContact O-NH2 2.82Å | ||
| 495 | D | 77.6 | Confident | 94.1 | Very high | 65 Ų | 65 | 33.6 Ų | 33.6 | 35% | 0.348 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -61.4 | -28.9 | 176.5 | -73.6 | 4.6 | 0 | 0 | 0 | 113.2 | R427 | R427-D495 VanDerWaalsContact CG-OD2 3.27Å; R427-D495 WeakPolarHBondContact CG-OD2 3.39Å; R427-D495 IonicContact NE-OD2 2.92Å |
| 496 | H | 79.5 | Confident | 94.1 | Very high | 130 Ų | 130 | 33.7 Ų | 33.7 | 60% | 0.602 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -126.1 | 143.9 | 175 | -78.6 | -23.3 | 0 | 0 | 0 | 111.2 | R427 P494 | R427-H496 PolarHBondContact NH1-CE1 3.25Å; R427-H496 PolarHBondContact NH1-NE2 2.66Å; R427-H496 PolarHBondContact NH2-CD2 2.71Å; R427-H496 PolarHBondContact NH2-CE1 3.39Å; R427-H496 VanDerWaalsContact NH2-CG 3.35Å; R427-H496 PolarHBondContact NH2-NE2 3.1Å; P494-H496 WeakPolarHBondContact CB-O 3.04Å; P494-H496 VanDerWaalsContact CG-O 3.29Å; P494-H496 WeakPolarHBondContact CG-O 3.15Å; P494-H496 PolarHBondContact O-N 2.88Å |
| 497 | G | 90.2 | Very high | 93.9 | Very high | 44 Ų | 44 | 35.4 Ų | 35.4 | 45% | 0.454 | 22% | 0.219 | S | C | . | . | S | Bend | trans | 68.1 | -134.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | W493 | W493-G497 PolarHBondContact NE1-O 3.27Š|
| 498 | V | 95.6 | Very high | 93.9 | Very high | 37 Ų | 37 | 35.4 Ų | 35.4 | 22% | 0.224 | 22% | 0.219 | C | C | . | . | trans | -136 | 158.4 | -168.3 | -63.3 | 0 | 0 | 0 | 0 | 109.9 | W493 P494 A500 A579 Q580 F583 | W493-V498 HydrophobicContact CZ2-CG1 4.31Å; P494-V498 WeakPolarHBondContact CG-O 3.27Å; V498-A500 PolarHBondContact O-N 3.43Å; V498-A579 HydrophobicContact CG1-CB 4.42Å; V498-A579 WeakPolarHBondContact CG1-O 3.45Å; V498-Q580 HydrophobicContact CG1-CB 4.47Å; V498-Q580 HydrophobicContact CG1-CG 3.96Å; V498-F583 HydrophobicContact CB-CB 3.88Å; V498-F583 HydrophobicContact CB-CD1 4.4Å; V498-F583 HydrophobicContact CB-CD2 3.75Å; V498-F583 HydrophobicContact CB-CE2 4.41Å; V498-F583 HydrophobicContact CB-CG 3.74Å; V498-F583 HydrophobicContact CG1-CB 3.75Å; V498-F583 HydrophobicContact CG1-CG 4.07Å; V498-F583 HydrophobicContact CG2-CB 3.97Å; V498-F583 HydrophobicContact CG2-CD2 3.71Å; V498-F583 HydrophobicContact CG2-CG 4.04Å | ||
| 499 | P | 95.7 | Very high | 93.8 | Very high | 7 Ų | 7 | 35.6 Ų | 35.6 | 5% | 0.045 | 22% | 0.22 | C | C | . | . | trans | -52.4 | 136.9 | 174.9 | -25.8 | 34.9 | 0 | 0 | 0 | 112 | F490 W493 V505 F583 | F490-P499 HydrophobicContact CE1-CG 4.2Å; W493-P499 HydrophobicContact CD2-CG 3.99Å; W493-P499 HydrophobicContact CE3-CG 3.91Å; W493-P499 HydrophobicContact CG-CG 4.36Å; W493-P499 HydrophobicContact CZ3-CG 4.35Å; P499-V505 HydrophobicContact CG-CG2 3.96Å; P499-F583 HydrophobicContact CB-CE2 4.08Å; P499-F583 HydrophobicContact CB-CZ 3.88Å; P499-F583 HydrophobicContact CG-CE1 4.36Å; P499-F583 HydrophobicContact CG-CE2 4.4Å; P499-F583 HydrophobicContact CG-CZ 3.88Å; P499-F583 WeakPolarHBondContact O-CE2 3.24Å | ||
| 500 | A | 91.7 | Very high | 93.7 | Very high | 106 Ų | 106 | 37.1 Ų | 37.1 | 88% | 0.876 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -68.8 | -36 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V498 | V498-A500 PolarHBondContact O-N 3.43Š|
| 501 | N | 93.6 | Very high | 93.6 | Very high | 93 Ų | 93 | 39.7 Ų | 39.7 | 50% | 0.497 | 24% | 0.24 | S | C | . | . | trans | -103.2 | 115.1 | 174.9 | -178.9 | 6.8 | 0 | 0 | 0 | 109.7 | G503 S504 | N501-G503 PolarHBondContact O-N 2.84Å; N501-G503 PolarHBondContact OD1-N 3.41Å; N501-S504 PolarHBondContact O-N 3.14Å; N501-S504 PolarHBondContact O-OG 2.7Å | ||
| 502 | P | 95.6 | Very high | 93.6 | Very high | 13 Ų | 13 | 37.4 Ų | 37.4 | 8% | 0.084 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.7 | -25.1 | 175.2 | -19.9 | 31.4 | 0 | 0 | 0 | 113.8 | S504 V505 V506 F583 M586 A587 | P502-S504 VanDerWaalsContact C-N 3.26Å; P502-S504 PolarHBondContact O-N 2.81Å; P502-V505 PolarHBondContact O-N 2.68Å; P502-V506 PolarHBondContact O-N 2.85Å; P502-V506 VanDerWaalsContact O-N 3.14Å; P502-F583 HydrophobicContact CB-CE2 4.15Å; P502-F583 HydrophobicContact CB-CZ 4.37Å; P502-F583 HydrophobicContact CG-CE2 4.16Å; P502-M586 HydrophobicContact CG-CB 3.91Å; P502-M586 HydrophobicContact CG-CE 4.3Å; P502-A587 HydrophobicContact CB-CB 4.2Å |
| 503 | G | 95.4 | Very high | 93.6 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.8 | -29.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | N501 V505 V506 N507 | N501-G503 PolarHBondContact O-N 2.84Å; N501-G503 PolarHBondContact OD1-N 3.41Å; G503-V505 VanDerWaalsContact C-N 3.34Å; G503-V505 PolarHBondContact O-N 3.38Å; G503-V506 PolarHBondContact O-N 3.41Å; G503-N507 VanDerWaalsContact O-CB 3.3Å; G503-N507 WeakPolarHBondContact O-CB 3.41Å; G503-N507 PolarHBondContact O-N 3.24Å; G503-N507 PolarHBondContact O-ND2 3.27Å |
| 504 | S | 95.7 | Very high | 93.6 | Very high | 8 Ų | 8 | 40.4 Ų | 40.4 | 6% | 0.056 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.9 | -38.5 | 177.3 | 60.5 | 0 | 0 | 0 | 0 | 112.1 | N501 P502 F508 | N501-S504 PolarHBondContact O-N 3.14Å; N501-S504 PolarHBondContact O-OG 2.7Å; P502-S504 VanDerWaalsContact C-N 3.26Å; P502-S504 PolarHBondContact O-N 2.81Å; S504-F508 WeakPolarHBondContact O-CB 3.32Å; S504-F508 PolarHBondContact O-N 2.82Å |
| 505 | V | 97.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -73.5 | -42.7 | 176.1 | 170.9 | 0 | 0 | 0 | 0 | 111.3 | F490 W493 P499 P502 G503 F508 L509 F539 I542 F583 | F490-V505 HydrophobicContact CE1-CG2 4.06Å; F490-V505 HydrophobicContact CE2-CG2 4.23Å; F490-V505 HydrophobicContact CZ-CG2 3.62Å; W493-V505 HydrophobicContact CZ3-CG2 4.39Å; P499-V505 HydrophobicContact CG-CG2 3.96Å; P502-V505 PolarHBondContact O-N 2.68Å; G503-V505 VanDerWaalsContact C-N 3.34Å; G503-V505 PolarHBondContact O-N 3.38Å; V505-F508 PolarHBondContact O-N 3.1Å; V505-L509 HydrophobicContact CG1-CD1 4.1Å; V505-L509 WeakPolarHBondContact O-CG 3.47Å; V505-L509 PolarHBondContact O-N 3.48Å; V505-F539 HydrophobicContact CB-CE1 4.5Å; V505-F539 HydrophobicContact CG1-CD1 4.11Å; V505-F539 HydrophobicContact CG1-CE1 3.75Å; V505-F539 HydrophobicContact CG1-CZ 4.29Å; V505-F539 HydrophobicContact CG2-CE1 4.37Å; V505-F539 HydrophobicContact CG2-CZ 4.16Å; V505-I542 HydrophobicContact CG1-CD1 3.92Å; V505-F583 HydrophobicContact CB-CE1 4.29Å; V505-F583 HydrophobicContact CB-CZ 4.3Å; V505-F583 HydrophobicContact CG1-CE1 4.46Å; V505-F583 HydrophobicContact CG2-CE1 3.91Å; V505-F583 HydrophobicContact CG2-CZ 3.89Å |
| 506 | V | 97 | Very high | 94.6 | Very high | 4 Ų | 4 | 37.4 Ų | 37.4 | 2% | 0.024 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63 | -48.6 | 179.7 | 173.3 | 0 | 0 | 0 | 0 | 111 | P502 G503 F508 L509 E510 L546 A587 Y590 Y591 | P502-V506 PolarHBondContact O-N 2.85Å; P502-V506 VanDerWaalsContact O-N 3.14Å; G503-V506 PolarHBondContact O-N 3.41Å; V506-F508 VanDerWaalsContact C-N 3.31Å; V506-F508 PolarHBondContact O-N 2.8Å; V506-L509 PolarHBondContact O-N 3.3Å; V506-E510 WeakPolarHBondContact O-CG 3.46Å; V506-E510 PolarHBondContact O-N 2.83Å; V506-L546 HydrophobicContact CG1-CD1 4.28Å; V506-A587 HydrophobicContact CG2-CB 4.18Å; V506-A587 WeakPolarHBondContact CG2-O 3.41Å; V506-Y590 HydrophobicContact CB-CD1 4.07Å; V506-Y590 HydrophobicContact CB-CE1 4.32Å; V506-Y590 HydrophobicContact CG1-CD1 4.19Å; V506-Y590 HydrophobicContact CG1-CE1 4.36Å; V506-Y590 HydrophobicContact CG2-CD1 3.98Å; V506-Y591 HydrophobicContact CG1-CD2 3.77Å; V506-Y591 HydrophobicContact CG1-CG 4.41Å |
| 507 | N | 95.2 | Very high | 95.2 | Very high | 91 Ų | 91 | 36.8 Ų | 36.8 | 49% | 0.487 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.8 | -38.9 | 178.8 | -66.7 | -19.1 | 0 | 0 | 0 | 112 | G503 E510 E511 | G503-N507 VanDerWaalsContact O-CB 3.3Å; G503-N507 WeakPolarHBondContact O-CB 3.41Å; G503-N507 PolarHBondContact O-N 3.24Å; G503-N507 PolarHBondContact O-ND2 3.27Å; N507-E510 PolarHBondContact O-N 3.39Å; N507-E511 PolarHBondContact O-N 2.82Å; N507-E511 VanDerWaalsContact O-N 3.08Å |
| 508 | F | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.5 | -44.7 | 175.1 | 174.2 | -97.9 | 0 | 0 | 0 | 112.3 | V419 F464 Y488 F490 S504 V505 V506 E511 I512 F539 | V419-F508 HydrophobicContact CG1-CE1 3.68Å; V419-F508 HydrophobicContact CG1-CZ 3.91Å; F464-F508 HydrophobicContact CB-CD2 3.78Å; F464-F508 HydrophobicContact CB-CE2 3.76Å; F464-F508 HydrophobicContact CD1-CB 4.32Å; F464-F508 AromaticContact CD1-CD2 3.57Å; F464-F508 HydrophobicContact CD1-CD2 3.57Å; F464-F508 HydrophobicContact CD1-CE2 4.38Å; F464-F508 HydrophobicContact CD1-CG 4.41Å; F464-F508 AromaticContact CD2-CD2 3.9Å; F464-F508 HydrophobicContact CD2-CD2 3.9Å; F464-F508 HydrophobicContact CD2-CE2 4.11Å; F464-F508 HydrophobicContact CE1-CB 4.33Å; F464-F508 HydrophobicContact CE1-CD2 4.04Å; F464-F508 HydrophobicContact CE2-CD2 4.33Å; F464-F508 AromaticContact CG-CD2 3.49Å; F464-F508 HydrophobicContact CG-CD2 3.49Å; F464-F508 VanDerWaalsContact CG-CD2 3.49Å; F464-F508 AromaticContact CG-CE2 3.86Å; F464-F508 HydrophobicContact CG-CE2 3.86Å; F464-F508 HydrophobicContact CZ-CD2 4.39Å; Y488-F508 HydrophobicContact CD1-CD2 4.36Å; Y488-F508 AromaticContact CD1-CE2 3.85Å; Y488-F508 HydrophobicContact CD1-CE2 3.85Å; Y488-F508 HydrophobicContact CD1-CZ 4.41Å; Y488-F508 HydrophobicContact CG-CE2 4.29Å; Y488-F508 HydrophobicContact CG-CZ 4.47Å; F490-F508 HydrophobicContact CB-CE1 4.22Å; F490-F508 HydrophobicContact CB-CE2 4.09Å; F490-F508 HydrophobicContact CB-CZ 3.85Å; F490-F508 HydrophobicContact CD2-CB 4.11Å; F490-F508 HydrophobicContact CD2-CD1 4.09Å; F490-F508 AromaticContact CD2-CD2 3.84Å; F490-F508 HydrophobicContact CD2-CD2 3.84Å; F490-F508 HydrophobicContact CD2-CE1 4.39Å; F490-F508 HydrophobicContact CD2-CE2 4.15Å; F490-F508 AromaticContact CD2-CG 3.75Å; F490-F508 HydrophobicContact CD2-CG 3.75Å; F490-F508 HydrophobicContact CD2-CZ 4.4Å; F490-F508 HydrophobicContact CE2-CB 4.18Å; F490-F508 HydrophobicContact CE2-CG 4.32Å; S504-F508 WeakPolarHBondContact O-CB 3.32Å; S504-F508 PolarHBondContact O-N 2.82Å; V505-F508 PolarHBondContact O-N 3.1Å; V506-F508 VanDerWaalsContact C-N 3.31Å; V506-F508 PolarHBondContact O-N 2.8Å; F508-E511 PolarHBondContact O-N 3.43Å; F508-I512 HydrophobicContact CD1-CD1 3.72Å; F508-I512 HydrophobicContact CE1-CD1 3.36Å; F508-I512 HydrophobicContact CE2-CD1 4.27Å; F508-I512 HydrophobicContact CG-CD1 4.35Å; F508-I512 HydrophobicContact CZ-CD1 3.69Å; F508-I512 WeakPolarHBondContact O-CG1 3.41Å; F508-I512 PolarHBondContact O-N 2.85Å; F508-F539 HydrophobicContact CD1-CD1 4.24Å; F508-F539 AromaticContact CD1-CE1 3.49Å; F508-F539 HydrophobicContact CD1-CE1 3.49Å; F508-F539 VanDerWaalsContact CD1-CE1 3.49Å; F508-F539 HydrophobicContact CD1-CZ 4.3Å; F508-F539 HydrophobicContact CE1-CD1 4.2Å; F508-F539 AromaticContact CE1-CE1 3.61Å; F508-F539 HydrophobicContact CE1-CE1 3.61Å; F508-F539 HydrophobicContact CE1-CZ 4.25Å |
| 509 | L | 97.7 | Very high | 95.2 | Very high | 7 Ų | 7 | 40.7 Ų | 40.7 | 4% | 0.037 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.9 | -37.3 | 176.2 | -74.8 | 174.3 | 0 | 0 | 0 | 112.4 | V505 V506 E511 I512 N513 F539 I542 D543 L546 | V505-L509 HydrophobicContact CG1-CD1 4.1Å; V505-L509 WeakPolarHBondContact O-CG 3.47Å; V505-L509 PolarHBondContact O-N 3.48Å; V506-L509 PolarHBondContact O-N 3.3Å; L509-E511 VanDerWaalsContact C-N 3.35Å; L509-E511 PolarHBondContact O-N 3.04Å; L509-I512 PolarHBondContact O-N 2.86Å; L509-N513 WeakPolarHBondContact O-CB 3.26Å; L509-N513 PolarHBondContact O-N 3.43Å; L509-N513 PolarHBondContact O-ND2 2.99Å; L509-F539 HydrophobicContact CD1-CD1 4.28Å; L509-F539 HydrophobicContact CD2-CD1 3.91Å; L509-F539 HydrophobicContact CG-CD1 4.1Å; L509-I542 HydrophobicContact CD1-CB 3.97Å; L509-I542 HydrophobicContact CD1-CG2 3.55Å; L509-D543 HydrophobicContact CD1-CB 4.14Å; L509-D543 HydrophobicContact CD2-CB 4Å; L509-L546 HydrophobicContact CD1-CD1 4.49Å |
| 510 | E | 94.9 | Very high | 94.8 | Very high | 41 Ų | 41 | 46.1 Ų | 46.1 | 19% | 0.192 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.9 | -42.8 | 173.8 | -74.8 | -59 | 126 | 0 | 0 | 112.1 | V506 N507 I512 N513 Q514 R550 Y591 | V506-E510 WeakPolarHBondContact O-CG 3.46Å; V506-E510 PolarHBondContact O-N 2.83Å; N507-E510 PolarHBondContact O-N 3.39Å; E510-I512 PolarHBondContact O-N 3.23Å; E510-N513 PolarHBondContact O-N 3.14Å; E510-Q514 WeakPolarHBondContact O-CB 3.48Å; E510-Q514 VanDerWaalsContact O-CG 3.27Å; E510-Q514 WeakPolarHBondContact O-CG 3.45Å; E510-Q514 PolarHBondContact O-N 3.44Å; E510-R550 IonicContact OE1-CZ 3.38Å; E510-R550 IonicContact OE1-NE 2.97Å; E510-R550 IonicContact OE1-NH2 2.84Å; E510-R550 PolarHBondContact OE1-NH2 3.25Å; E510-R550 IonicContact OE2-NH2 3.42Å; E510-Y591 WeakPolarHBondContact OE1-CE2 3.48Å |
| 511 | E | 96.5 | Very high | 94.6 | Very high | 54 Ų | 54 | 45.9 Ų | 45.9 | 25% | 0.252 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.8 | -41.9 | 177.5 | -170.9 | 173.4 | 129.7 | 0 | 0 | 111.9 | R459 F464 Y488 N507 F508 L509 Q514 L515 | R459-E511 IonicContact CZ-OE1 3.34Å; R459-E511 IonicContact NE-OE1 3.87Å; R459-E511 IonicContact NH2-OE1 2.7Å; R459-E511 PolarHBondContact NH2-OE1 3.02Å; F464-E511 WeakPolarHBondContact CE2-OE1 3.43Å; F464-E511 VanDerWaalsContact CZ-OE2 3.3Å; F464-E511 WeakPolarHBondContact CZ-OE2 3.33Å; Y488-E511 HydrophobicContact CE1-CG 4.03Å; Y488-E511 WeakPolarHBondContact CE1-OE1 3.46Å; N507-E511 PolarHBondContact O-N 2.82Å; N507-E511 VanDerWaalsContact O-N 3.08Å; F508-E511 PolarHBondContact O-N 3.43Å; L509-E511 VanDerWaalsContact C-N 3.35Å; L509-E511 PolarHBondContact O-N 3.04Å; E511-Q514 PolarHBondContact O-N 3.02Å; E511-L515 PolarHBondContact O-N 3.32Å |
| 512 | I | 97.6 | Very high | 94.3 | Very high | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.7 | -46.4 | 175 | -71.4 | 161.3 | 0 | 0 | 0 | 111 | I417 V419 Y488 F508 L509 E510 Q514 L515 E516 I525 | I417-I512 HydrophobicContact CD1-CG2 4.31Å; I417-I512 HydrophobicContact CG2-CG2 4.04Å; V419-I512 HydrophobicContact CG2-CD1 3.6Å; Y488-I512 HydrophobicContact CD1-CD1 4.17Å; Y488-I512 HydrophobicContact CD1-CG1 3.71Å; Y488-I512 HydrophobicContact CD2-CG1 4Å; Y488-I512 HydrophobicContact CE1-CG1 3.89Å; Y488-I512 HydrophobicContact CE2-CG1 4.17Å; Y488-I512 HydrophobicContact CG-CD1 4.1Å; Y488-I512 HydrophobicContact CG-CG1 3.78Å; F508-I512 HydrophobicContact CD1-CD1 3.72Å; F508-I512 HydrophobicContact CE1-CD1 3.36Å; F508-I512 HydrophobicContact CE2-CD1 4.27Å; F508-I512 HydrophobicContact CG-CD1 4.35Å; F508-I512 HydrophobicContact CZ-CD1 3.69Å; F508-I512 WeakPolarHBondContact O-CG1 3.41Å; F508-I512 PolarHBondContact O-N 2.85Å; L509-I512 PolarHBondContact O-N 2.86Å; E510-I512 PolarHBondContact O-N 3.23Å; I512-Q514 VanDerWaalsContact C-N 3.34Å; I512-Q514 PolarHBondContact O-N 3.49Å; I512-L515 WeakPolarHBondContact O-CB 3.4Å; I512-L515 PolarHBondContact O-N 3Å; I512-E516 PolarHBondContact O-N 3.46Å; I512-I525 HydrophobicContact CG2-CD1 4.22Å |
| 513 | N | 95.1 | Very high | 94.3 | Very high | 7 Ų | 7 | 47.7 Ų | 47.7 | 4% | 0.037 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.5 | -38.7 | -179.8 | -76.1 | -36.4 | 0 | 0 | 0 | 112.3 | R390 L509 E510 T517 D543 R550 | R390-N513 PolarHBondContact NH2-OD1 3.05Å; L509-N513 WeakPolarHBondContact O-CB 3.26Å; L509-N513 PolarHBondContact O-N 3.43Å; L509-N513 PolarHBondContact O-ND2 2.99Å; E510-N513 PolarHBondContact O-N 3.14Å; N513-T517 WeakPolarHBondContact O-CB 3.26Å; N513-T517 PolarHBondContact O-N 2.78Å; N513-T517 VanDerWaalsContact O-N 3.07Å; N513-T517 PolarHBondContact O-OG1 3.24Å; N513-D543 PolarHBondContact ND2-OD1 3.03Å; N513-D543 PolarHBondContact OD1-OD1 3.01Å; N513-R550 PolarHBondContact ND2-NH2 2.82Å |
| 514 | Q | 94.9 | Very high | 94.4 | Very high | 94 Ų | 94 | 48.3 Ų | 48.3 | 44% | 0.439 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.5 | -43.8 | 174 | -73.4 | 172.4 | 20 | 0 | 0 | 111.7 | E510 E511 I512 T517 N518 | E510-Q514 WeakPolarHBondContact O-CB 3.48Å; E510-Q514 VanDerWaalsContact O-CG 3.27Å; E510-Q514 WeakPolarHBondContact O-CG 3.45Å; E510-Q514 PolarHBondContact O-N 3.44Å; E511-Q514 PolarHBondContact O-N 3.02Å; I512-Q514 VanDerWaalsContact C-N 3.34Å; I512-Q514 PolarHBondContact O-N 3.49Å; Q514-T517 PolarHBondContact O-N 2.61Å; Q514-N518 PolarHBondContact O-N 3.03Å; Q514-N518 PolarHBondContact O-ND2 3.48Å |
| 515 | L | 96.1 | Very high | 94.5 | Very high | 27 Ų | 27 | 48.1 Ų | 48.1 | 14% | 0.141 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.4 | -49.8 | 175.8 | 170.8 | 65.4 | 0 | 0 | 0 | 111.1 | I417 Y486 Y488 E511 I512 T517 N518 L519 | I417-L515 HydrophobicContact CD1-CD2 4.02Å; I417-L515 HydrophobicContact CD1-CG 4.21Å; I417-L515 HydrophobicContact CG1-CD2 4.09Å; Y486-L515 HydrophobicContact CD1-CD1 4.5Å; Y486-L515 HydrophobicContact CD1-CD2 4.08Å; Y486-L515 HydrophobicContact CD2-CD1 4.13Å; Y486-L515 HydrophobicContact CD2-CD2 3.63Å; Y486-L515 HydrophobicContact CD2-CG 4.32Å; Y486-L515 HydrophobicContact CE1-CD1 4.3Å; Y486-L515 HydrophobicContact CE2-CD1 3.92Å; Y486-L515 HydrophobicContact CE2-CD2 4.28Å; Y486-L515 HydrophobicContact CG-CD1 4.4Å; Y486-L515 HydrophobicContact CG-CD2 3.5Å; Y486-L515 VanDerWaalsContact CG-CD2 3.5Å; Y488-L515 HydrophobicContact CE2-CD2 3.55Å; E511-L515 PolarHBondContact O-N 3.32Å; I512-L515 WeakPolarHBondContact O-CB 3.4Å; I512-L515 PolarHBondContact O-N 3Å; L515-T517 VanDerWaalsContact C-N 3.3Å; L515-T517 PolarHBondContact O-N 2.77Å; L515-N518 WeakPolarHBondContact O-CB 3.39Å; L515-N518 PolarHBondContact O-N 2.93Å; L515-L519 PolarHBondContact O-N 2.8Å |
| 516 | E | 94.5 | Very high | 94.6 | Very high | 20 Ų | 20 | 48.1 Ų | 48.1 | 9% | 0.093 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.4 | -39.5 | -178.5 | -170.8 | -163.8 | 171.5 | 0 | 0 | 112.5 | R390 I417 I512 N518 L519 S522 | R390-E516 IonicContact CZ-OE1 2.84Å; R390-E516 IonicContact CZ-OE2 3.91Å; R390-E516 IonicContact NH1-OE1 3.73Å; R390-E516 PolarHBondContact NH1-OE1 3.12Å; R390-E516 IonicContact NH1-OE2 3.89Å; R390-E516 PolarHBondContact NH1-OE2 2.94Å; R390-E516 IonicContact NH2-OE2 2.87Å; R390-E516 PolarHBondContact NH2-OE2 2.78Å; I417-E516 HydrophobicContact CD1-CB 3.76Å; I417-E516 HydrophobicContact CD1-CG 4.27Å; I512-E516 PolarHBondContact O-N 3.46Å; E516-N518 PolarHBondContact O-N 3.46Å; E516-L519 WeakPolarHBondContact O-CB 3.31Å; E516-L519 PolarHBondContact O-N 2.78Å; E516-S522 PolarHBondContact OE1-OG 3.34Å |
| 517 | T | 91.3 | Very high | 94.7 | Very high | 116 Ų | 116 | 48.1 Ų | 48.1 | 71% | 0.712 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -60.1 | -27 | 176.3 | -56.8 | 0 | 0 | 0 | 0 | 112.2 | N513 Q514 L515 | N513-T517 WeakPolarHBondContact O-CB 3.26Å; N513-T517 PolarHBondContact O-N 2.78Å; N513-T517 VanDerWaalsContact O-N 3.07Å; N513-T517 PolarHBondContact O-OG1 3.24Å; Q514-T517 PolarHBondContact O-N 2.61Å; L515-T517 VanDerWaalsContact C-N 3.3Å; L515-T517 PolarHBondContact O-N 2.77Å |
| 518 | N | 93.2 | Very high | 94.9 | Very high | 135 Ų | 135 | 43.8 Ų | 43.8 | 72% | 0.722 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -4.6 | 177 | -66.8 | -43.9 | 0 | 0 | 0 | 113.5 | Q514 L515 E516 | Q514-N518 PolarHBondContact O-N 3.03Å; Q514-N518 PolarHBondContact O-ND2 3.48Å; L515-N518 WeakPolarHBondContact O-CB 3.39Å; L515-N518 PolarHBondContact O-N 2.93Å; E516-N518 PolarHBondContact O-N 3.46Å |
| 519 | L | 93.2 | Very high | 94.8 | Very high | 29 Ų | 29 | 44.1 Ų | 44.1 | 15% | 0.152 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -83.4 | 146.8 | 173.9 | -65.4 | 176.8 | 0 | 0 | 0 | 110.2 | R416 I417 Y486 L515 E516 D521 | R416-L519 HydrophobicContact CB-CD1 3.59Å; R416-L519 HydrophobicContact CG-CD1 4.16Å; I417-L519 HydrophobicContact CD1-CD1 4.13Å; I417-L519 HydrophobicContact CG1-CD1 4.19Å; Y486-L519 HydrophobicContact CE2-CD2 4.15Å; L515-L519 PolarHBondContact O-N 2.8Å; E516-L519 WeakPolarHBondContact O-CB 3.31Å; E516-L519 PolarHBondContact O-N 2.78Å; L519-D521 VanDerWaalsContact C-N 3.29Å; L519-D521 PolarHBondContact O-N 3.07Å |
| 520 | P | 86.9 | Confident | 94.8 | Very high | 121 Ų | 121 | 44.3 Ų | 44.3 | 79% | 0.786 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -65.5 | -32.6 | -175.7 | 25.3 | -34.2 | 0 | 0 | 0 | 112.9 | ||
| 521 | D | 86.7 | Confident | 94.9 | Very high | 101 Ų | 101 | 42.8 Ų | 42.8 | 54% | 0.54 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -130.3 | 138.4 | -175 | -62.2 | -55.8 | 0 | 0 | 0 | 111.1 | L519 K523 | L519-D521 VanDerWaalsContact C-N 3.29Å; L519-D521 PolarHBondContact O-N 3.07Å; D521-K523 HydrophobicContact CB-CG 4.36Å; D521-K523 PolarHBondContact O-N 2.77Å |
| 522 | S | 87.5 | Confident | 94.9 | Very high | 83 Ų | 83 | 40.2 Ų | 40.2 | 58% | 0.58 | 23% | 0.229 | S | C | * | . | trans | -79.8 | 111.2 | 169.6 | -171.6 | 0 | 0 | 0 | 0 | 108.9 | E516 | E516-S522 PolarHBondContact OE1-OG 3.34Š| ||
| 523 | K | 95.7 | Very high | 94.9 | Very high | 60 Ų | 60 | 40.4 Ų | 40.4 | 26% | 0.261 | 23% | 0.23 | S | C | . | . | trans | -119.8 | 157.9 | 176.4 | -61.6 | -66.4 | -173 | 169.3 | 0 | 109.3 | E414 D521 I525 | E414-K523 HydrophobicContact CB-CD 3.96Å; E414-K523 HydrophobicContact CB-CG 4.13Å; E414-K523 IonicContact OE1-NZ 3.96Å; E414-K523 PolarHBondContact OE1-NZ 3.49Å; E414-K523 IonicContact OE2-NZ 3.16Å; E414-K523 PolarHBondContact OE2-NZ 2.77Å; D521-K523 HydrophobicContact CB-CG 4.36Å; D521-K523 PolarHBondContact O-N 2.77Å; K523-I525 PolarHBondContact O-N 2.64Å | ||
| 524 | P | 97.8 | Very high | 95 | Very high | 14 Ų | 14 | 40.1 Ų | 40.1 | 9% | 0.091 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -58.8 | 130.3 | -174.2 | -22.4 | 32.2 | 0 | 0 | 0 | 112.5 | L320 S391 I393 S415 I526 | L320-P524 HydrophobicContact CD1-CB 4.48Å; L320-P524 HydrophobicContact CD1-CG 4.26Å; S391-P524 WeakPolarHBondContact O-CA 3.4Å; I393-P524 HydrophobicContact CD1-CB 3.9Å; I393-P524 HydrophobicContact CD1-CG 4.41Å; I393-P524 HydrophobicContact CG1-CB 3.74Å; S415-P524 VanDerWaalsContact CB-O 3.28Å; S415-P524 WeakPolarHBondContact CB-O 3.14Å; S415-P524 PolarHBondContact OG-O 2.74Å; P524-I526 PolarHBondContact O-N 3.29Å |
| 525 | I | 98.5 | Very high | 95.1 | Very high | 5 Ų | 5 | 37 Ų | 37 | 3% | 0.026 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 119.9 | 172.2 | -59 | 174.9 | 0 | 0 | 0 | 108.1 | S391 Y392 I393 I417 V419 I512 K523 V527 | S391-I525 PolarHBondContact O-N 3.22Å; S391-I525 VanDerWaalsContact O-N 3.08Å; Y392-I525 CarbonylContact C-O 3.52Å; Y392-I525 WeakPolarHBondContact CA-O 3.37Å; Y392-I525 WeakPolarHBondContact CB-O 3.26Å; Y392-I525 HydrophobicContact CD1-CB 3.99Å; Y392-I525 HydrophobicContact CE1-CD1 4.42Å; I393-I525 PolarHBondContact N-O 2.62Å; I417-I525 HydrophobicContact CB-CG1 4.43Å; I417-I525 HydrophobicContact CB-CG2 4.24Å; I417-I525 HydrophobicContact CG2-CG2 4.02Å; V419-I525 HydrophobicContact CG2-CG2 3.93Å; I512-I525 HydrophobicContact CG2-CD1 4.22Å; K523-I525 PolarHBondContact O-N 2.64Å; I525-V527 HydrophobicContact CG2-CG2 4Å; I525-V527 PolarHBondContact O-N 2.85Å |
| 526 | I | 98.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 123.7 | 175.7 | -66.7 | 163.5 | 0 | 0 | 0 | 107.9 | I393 T395 F406 M409 V410 S415 I417 I418 V419 P524 | I393-I526 HydrophobicContact CB-CG1 3.94Å; I393-I526 HydrophobicContact CD1-CG1 4.14Å; I393-I526 HydrophobicContact CG2-CG1 4.39Å; I393-I526 CarbonylContact O-C 3.51Å; I393-I526 WeakPolarHBondContact O-CA 3.31Å; T395-I526 HydrophobicContact CG2-CG2 3.93Å; F406-I526 HydrophobicContact CE2-CG2 4.06Å; F406-I526 HydrophobicContact CZ-CG2 4.27Å; M409-I526 HydrophobicContact CE-CD1 4.08Å; M409-I526 HydrophobicContact CE-CG1 4.38Å; M409-I526 HydrophobicContact CE-CG2 4.39Å; V410-I526 HydrophobicContact CB-CD1 4.21Å; V410-I526 HydrophobicContact CG2-CD1 3.46Å; V410-I526 VanDerWaalsContact CG2-CD1 3.46Å; S415-I526 VanDerWaalsContact CB-CD1 3.46Å; I417-I526 PolarHBondContact O-N 2.99Å; I418-I526 CarbonylContact C-O 3.43Å; I418-I526 WeakPolarHBondContact CA-O 3.45Å; I418-I526 HydrophobicContact CG1-CB 4.25Å; I418-I526 HydrophobicContact CG1-CD1 4.26Å; I418-I526 HydrophobicContact CG2-CB 4.44Å; I418-I526 HydrophobicContact CG2-CG2 4.21Å; V419-I526 PolarHBondContact N-O 3.28Å; P524-I526 PolarHBondContact O-N 3.29Å |
| 527 | V | 98.9 | Very high | 95.4 | Very high | 4 Ų | 4 | 34.8 Ų | 34.8 | 2% | 0.024 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 126.5 | 175.9 | -168.8 | 0 | 0 | 0 | 0 | 108.6 | Y392 I393 S394 T395 V419 I525 T536 F539 I540 | Y392-V527 HydrophobicContact CD1-CG2 4.14Å; I393-V527 PolarHBondContact O-N 2.86Å; S394-V527 WeakPolarHBondContact CA-O 3.47Å; T395-V527 PolarHBondContact N-O 2.83Å; V419-V527 HydrophobicContact CB-CB 4.36Å; V419-V527 HydrophobicContact CB-CG1 4.05Å; V419-V527 HydrophobicContact CB-CG2 4.16Å; V419-V527 HydrophobicContact CG1-CG1 4Å; V419-V527 HydrophobicContact CG2-CG2 4.46Å; V419-V527 CarbonylContact O-C 3.52Å; V419-V527 WeakPolarHBondContact O-CA 3.18Å; I525-V527 HydrophobicContact CG2-CG2 4Å; I525-V527 PolarHBondContact O-N 2.85Å; V527-T536 HydrophobicContact CB-CG2 3.94Å; V527-T536 HydrophobicContact CG1-CG2 3.79Å; V527-T536 VanDerWaalsContact O-CG2 3.27Å; V527-T536 WeakPolarHBondContact O-CG2 3.45Å; V527-F539 HydrophobicContact CG1-CB 4.28Å; V527-I540 HydrophobicContact CB-CD1 4.15Å; V527-I540 HydrophobicContact CB-CG1 4.19Å; V527-I540 HydrophobicContact CG1-CG1 4.36Å; V527-I540 HydrophobicContact CG2-CD1 4.25Å; V527-I540 HydrophobicContact CG2-CG1 3.99Å |
| 528 | H | 98.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 156.6 | 178.7 | 79.9 | 94.6 | 0 | 0 | 0 | 112.2 | T395 V419 M420 A421 Y435 T536 | T395-H528 HydrophobicContact CG2-CB 3.63Å; T395-H528 WeakPolarHBondContact O-CA 3.37Å; T395-H528 WeakPolarHBondContact O-CB 3.28Å; V419-H528 PolarHBondContact O-N 3.43Å; M420-H528 WeakPolarHBondContact CB-NE2 3.39Å; M420-H528 VanDerWaalsContact CG-CE1 3.45Å; M420-H528 WeakPolarHBondContact CG-CE1 3.37Å; A421-H528 PolarHBondContact N-O 2.72Å; Y435-H528 AromaticContact CE1-CE1 3.77Å; Y435-H528 AromaticContact CE1-NE2 3.67Å; Y435-H528 AromaticContact CZ-NE2 3.63Å; Y435-H528 PolarHBondContact OH-NE2 3.03Å; H528-T536 VanDerWaalsContact C-OG1 3.25Å; H528-T536 WeakPolarHBondContact CA-OG1 3.38Å |
| 529 | C | 97 | Very high | 96 | Very high | 7 Ų | 7 | 23 Ų | 23 | 5% | 0.047 | 13% | 0.134 | C | C | . | . | trans | -129.4 | -129.5 | 168.3 | 66.3 | 0 | 0 | 0 | 0 | 107.7 | G397 A421 T422 G532 R535 T536 | G397-C529 WeakPolarHBondContact CA-O 3.44Å; G397-C529 PolarHBondContact N-O 3.49Å; G397-C529 VanDerWaalsContact N-O 3.11Å; A421-C529 HydrophobicContact CB-CB 4.17Å; T422-C529 VanDerWaalsContact CG2-C 3.44Å; C529-G532 PolarHBondContact SG-N 2.88Å; C529-R535 HydrophobicContact CB-CB 3.97Å; C529-T536 PolarHBondContact N-OG1 3.29Å; C529-T536 VanDerWaalsContact N-OG1 3.1Å; C529-T536 PolarHBondContact SG-OG1 2.88Å; C529-T536 VanDerWaalsContact SG-OG1 3.37Å | ||
| 530 | S | 96.9 | Very high | 96.3 | Very high | 10 Ų | 10 | 21.7 Ų | 21.7 | 7% | 0.07 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -84 | -59.6 | 169.6 | -165.5 | 0 | 0 | 0 | 0 | 111.7 | R289 Y290 G397 K431 | R289-S530 VanDerWaalsContact CD-O 3.32Å; R289-S530 WeakPolarHBondContact CD-O 3.47Å; Y290-S530 PolarHBondContact OH-OG 2.89Å; G397-S530 PolarHBondContact N-O 3.23Å; K431-S530 WeakPolarHBondContact CA-OG 3.32Å; K431-S530 WeakPolarHBondContact O-CA 3.27Å; K431-S530 PolarHBondContact O-OG 3.08Å |
| 531 | A | 96.7 | Very high | 96.8 | Very high | 9 Ų | 9 | 15.9 Ų | 15.9 | 7% | 0.074 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -86.2 | -18.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y290 I293 I533 R571 | Y290-A531 HydrophobicContact CD2-CB 3.85Å; Y290-A531 HydrophobicContact CE2-CB 3.61Å; I293-A531 HydrophobicContact CD1-CB 3.63Å; A531-I533 HydrophobicContact CB-CG1 3.93Å; A531-R571 PolarHBondContact O-NH2 3.14Å |
| 532 | G | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.064 | C | C | . | . | S | Bend | trans | 73.3 | 30.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | S394 T395 C529 T536 R571 | S394-G532 PolarHBondContact OG-O 2.98Å; T395-G532 WeakPolarHBondContact O-CA 3.49Å; C529-G532 PolarHBondContact SG-N 2.88Å; G532-T536 WeakPolarHBondContact CA-OG1 3.41Å; G532-R571 PolarHBondContact O-NE 3.4Å |
| 533 | I | 97.4 | Very high | 97.9 | Very high | 7 Ų | 7 | 7.3 Ų | 7.3 | 4% | 0.036 | 4% | 0.037 | C | C | . | . | S | Bend | trans | -137.9 | -46.8 | -178.6 | 58.6 | 168.3 | 0 | 0 | 0 | 114.4 | I293 A531 G537 R571 S572 M574 V575 Q576 | I293-I533 HydrophobicContact CD1-CD1 3.91Å; I293-I533 HydrophobicContact CG1-CD1 4.32Å; I293-I533 HydrophobicContact CG2-CD1 3.92Å; I293-I533 HydrophobicContact CG2-CG1 4.38Å; I293-I533 HydrophobicContact CG2-CG2 4.1Å; A531-I533 HydrophobicContact CB-CG1 3.93Å; I533-G537 WeakPolarHBondContact O-CA 3.39Å; I533-G537 PolarHBondContact O-N 2.79Å; I533-R571 HydrophobicContact CG2-CG 4.07Å; I533-S572 WeakPolarHBondContact CG2-O 3.35Å; I533-M574 HydrophobicContact CB-SD 4.2Å; I533-M574 HydrophobicContact CG2-SD 4.17Å; I533-M574 WeakPolarHBondContact O-CA 3.49Å; I533-V575 PolarHBondContact O-N 3.41Å; I533-Q576 HydrophobicContact CD1-CG 4.01Å; I533-Q576 HydrophobicContact CG1-CG 4.02Å |
| 534 | G | 96.4 | Very high | 97.9 | Very high | 1 Ų | 1 | 4.4 Ų | 4.4 | 1% | 0.01 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -70.9 | -80.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | T536 G537 T538 | G534-T536 VanDerWaalsContact C-N 3.3Å; G534-T536 PolarHBondContact O-N 2.88Å; G534-G537 PolarHBondContact O-N 2.85Å; G534-T538 PolarHBondContact O-N 2.96Å; G534-T538 PolarHBondContact O-OG1 3.27Å |
| 535 | R | 97.7 | Very high | 97.8 | Very high | 29 Ų | 29 | 3.8 Ų | 3.8 | 11% | 0.109 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -58.1 | -43.8 | 177.4 | -54.7 | -177.7 | -177.5 | 156.7 | 2.8 | 111.5 | A421 T422 E426 W493 P494 C529 G537 T538 F539 | A421-R535 HydrophobicContact CB-CB 4.07Å; A421-R535 WeakPolarHBondContact O-CD 3.31Å; A421-R535 PolarHBondContact O-NH1 2.81Å; T422-R535 PolarHBondContact OG1-NH1 3.35Å; E426-R535 IonicContact OE1-CZ 2.97Å; E426-R535 IonicContact OE1-NH1 3.46Å; E426-R535 PolarHBondContact OE1-NH1 3.49Å; E426-R535 IonicContact OE1-NH2 2.66Å; E426-R535 IonicContact OE2-CZ 3.92Å; E426-R535 IonicContact OE2-NH1 2.9Å; E426-R535 PolarHBondContact OE2-NH1 3.03Å; E426-R535 IonicContact OE2-NH2 3.93Å; E426-R535 PolarHBondContact OE2-NH2 3.23Å; W493-R535 HydrophobicContact CD2-CB 4.35Å; W493-R535 HydrophobicContact CD2-CG 3.96Å; W493-R535 HydrophobicContact CE3-CB 4.48Å; W493-R535 HydrophobicContact CG-CG 4.34Å; W493-R535 HydrophobicContact CH2-CB 4.25Å; W493-R535 HydrophobicContact CH2-CG 4.4Å; W493-R535 HydrophobicContact CZ2-CB 4.15Å; W493-R535 HydrophobicContact CZ2-CG 3.8Å; W493-R535 HydrophobicContact CZ3-CB 4.43Å; P494-R535 PolarHBondContact O-NH2 2.82Å; C529-R535 HydrophobicContact CB-CB 3.97Å; R535-G537 PolarHBondContact O-N 2.95Å; R535-T538 WeakPolarHBondContact O-CB 3.42Å; R535-T538 PolarHBondContact O-N 2.69Å; R535-T538 VanDerWaalsContact O-N 3.1Å; R535-F539 WeakPolarHBondContact O-CD2 3.46Å; R535-F539 PolarHBondContact O-N 2.84Å |
| 536 | T | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 3.6 Ų | 3.6 | 0% | 0 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -53.6 | -52.4 | 175.2 | -60.4 | 0 | 0 | 0 | 0 | 112.4 | S394 V527 H528 C529 G532 G534 T538 F539 I540 M574 | S394-T536 WeakPolarHBondContact OG-CG2 3.32Å; V527-T536 HydrophobicContact CB-CG2 3.94Å; V527-T536 HydrophobicContact CG1-CG2 3.79Å; V527-T536 VanDerWaalsContact O-CG2 3.27Å; V527-T536 WeakPolarHBondContact O-CG2 3.45Å; H528-T536 VanDerWaalsContact C-OG1 3.25Å; H528-T536 WeakPolarHBondContact CA-OG1 3.38Å; C529-T536 PolarHBondContact N-OG1 3.29Å; C529-T536 VanDerWaalsContact N-OG1 3.1Å; C529-T536 PolarHBondContact SG-OG1 2.88Å; C529-T536 VanDerWaalsContact SG-OG1 3.37Å; G532-T536 WeakPolarHBondContact CA-OG1 3.41Å; G534-T536 VanDerWaalsContact C-N 3.3Å; G534-T536 PolarHBondContact O-N 2.88Å; T536-T538 VanDerWaalsContact C-N 3.25Å; T536-T538 PolarHBondContact O-N 3.5Å; T536-F539 PolarHBondContact O-N 3.4Å; T536-I540 HydrophobicContact CG2-CD1 4.01Å; T536-I540 WeakPolarHBondContact O-CG1 3.47Å; T536-I540 PolarHBondContact O-N 3.03Å; T536-M574 HydrophobicContact CG2-CE 4.42Å |
| 537 | G | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 4.2 Ų | 4.2 | 0% | 0 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -65.7 | -29.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | I533 G534 R535 A541 | I533-G537 WeakPolarHBondContact O-CA 3.39Å; I533-G537 PolarHBondContact O-N 2.79Å; G534-G537 PolarHBondContact O-N 2.85Å; R535-G537 PolarHBondContact O-N 2.95Å; G537-A541 WeakPolarHBondContact O-CB 3.28Å; G537-A541 PolarHBondContact O-N 2.89Å |
| 538 | T | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 4 Ų | 4 | 0% | 0 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -65.7 | -46.9 | 174.6 | -48 | 0 | 0 | 0 | 0 | 111.1 | W493 G534 R535 T536 A541 I542 F583 V584 | W493-T538 HydrophobicContact CH2-CG2 3.77Å; G534-T538 PolarHBondContact O-N 2.96Å; G534-T538 PolarHBondContact O-OG1 3.27Å; R535-T538 WeakPolarHBondContact O-CB 3.42Å; R535-T538 PolarHBondContact O-N 2.69Å; R535-T538 VanDerWaalsContact O-N 3.1Å; T536-T538 VanDerWaalsContact C-N 3.25Å; T536-T538 PolarHBondContact O-N 3.5Å; T538-A541 PolarHBondContact O-N 2.81Å; T538-I542 HydrophobicContact CG2-CD1 3.93Å; T538-I542 WeakPolarHBondContact O-CD1 3.11Å; T538-I542 WeakPolarHBondContact O-CG1 3.4Å; T538-I542 PolarHBondContact O-N 3.15Å; T538-F583 HydrophobicContact CG2-CD1 3.92Å; T538-V584 HydrophobicContact CG2-CG2 3.86Å |
| 539 | F | 98.4 | Very high | 96.2 | Very high | 3 Ų | 3 | 4 Ų | 4 | 1% | 0.013 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -60.7 | -48.6 | 175.5 | -88.1 | -83.6 | 0 | 0 | 0 | 112.1 | A421 F490 W493 V505 F508 L509 V527 R535 T536 A541 I542 D543 | A421-F539 HydrophobicContact CB-CD2 3.86Å; A421-F539 HydrophobicContact CB-CE2 3.6Å; F490-F539 HydrophobicContact CB-CZ 4.1Å; F490-F539 HydrophobicContact CD1-CE2 4.28Å; F490-F539 AromaticContact CD1-CZ 3.72Å; F490-F539 HydrophobicContact CD1-CZ 3.72Å; F490-F539 HydrophobicContact CD2-CZ 4.16Å; F490-F539 HydrophobicContact CE1-CZ 4.13Å; F490-F539 AromaticContact CG-CZ 3.72Å; F490-F539 HydrophobicContact CG-CZ 3.72Å; W493-F539 HydrophobicContact CE3-CD2 4.29Å; W493-F539 AromaticContact CE3-CE2 3.39Å; W493-F539 HydrophobicContact CE3-CE2 3.39Å; W493-F539 AromaticContact CE3-CZ 3.97Å; W493-F539 HydrophobicContact CE3-CZ 3.97Å; W493-F539 HydrophobicContact CH2-CE2 4.42Å; W493-F539 AromaticContact CZ3-CD2 3.76Å; W493-F539 HydrophobicContact CZ3-CD2 3.76Å; W493-F539 AromaticContact CZ3-CE2 3.25Å; W493-F539 HydrophobicContact CZ3-CE2 3.25Å; W493-F539 AromaticContact CZ3-CZ 3.94Å; W493-F539 HydrophobicContact CZ3-CZ 3.94Å; V505-F539 HydrophobicContact CB-CE1 4.5Å; V505-F539 HydrophobicContact CG1-CD1 4.11Å; V505-F539 HydrophobicContact CG1-CE1 3.75Å; V505-F539 HydrophobicContact CG1-CZ 4.29Å; V505-F539 HydrophobicContact CG2-CE1 4.37Å; V505-F539 HydrophobicContact CG2-CZ 4.16Å; F508-F539 HydrophobicContact CD1-CD1 4.24Å; F508-F539 AromaticContact CD1-CE1 3.49Å; F508-F539 HydrophobicContact CD1-CE1 3.49Å; F508-F539 VanDerWaalsContact CD1-CE1 3.49Å; F508-F539 HydrophobicContact CD1-CZ 4.3Å; F508-F539 HydrophobicContact CE1-CD1 4.2Å; F508-F539 AromaticContact CE1-CE1 3.61Å; F508-F539 HydrophobicContact CE1-CE1 3.61Å; F508-F539 HydrophobicContact CE1-CZ 4.25Å; L509-F539 HydrophobicContact CD1-CD1 4.28Å; L509-F539 HydrophobicContact CD2-CD1 3.91Å; L509-F539 HydrophobicContact CG-CD1 4.1Å; V527-F539 HydrophobicContact CG1-CB 4.28Å; R535-F539 WeakPolarHBondContact O-CD2 3.46Å; R535-F539 PolarHBondContact O-N 2.84Å; T536-F539 PolarHBondContact O-N 3.4Å; F539-A541 PolarHBondContact O-N 2.73Å; F539-I542 PolarHBondContact O-N 2.94Å; F539-D543 WeakPolarHBondContact O-CB 3.47Å; F539-D543 PolarHBondContact O-N 3.02Å |
| 540 | I | 98.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 7.7 Ų | 7.7 | 1% | 0.005 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -63.9 | -42.6 | -178.7 | -64.4 | 176 | 0 | 0 | 0 | 110.8 | I321 Y392 V527 T536 D543 L544 L567 M574 | I321-I540 HydrophobicContact CD1-CD1 3.91Å; Y392-I540 HydrophobicContact CD1-CG1 4.13Å; Y392-I540 HydrophobicContact CD1-CG2 4.46Å; Y392-I540 HydrophobicContact CD2-CG2 3.84Å; Y392-I540 HydrophobicContact CE1-CG2 4.47Å; Y392-I540 HydrophobicContact CE2-CG2 3.83Å; Y392-I540 HydrophobicContact CG-CD1 4.23Å; Y392-I540 HydrophobicContact CG-CG1 4.25Å; Y392-I540 HydrophobicContact CG-CG2 4.15Å; V527-I540 HydrophobicContact CB-CD1 4.15Å; V527-I540 HydrophobicContact CB-CG1 4.19Å; V527-I540 HydrophobicContact CG1-CG1 4.36Å; V527-I540 HydrophobicContact CG2-CD1 4.25Å; V527-I540 HydrophobicContact CG2-CG1 3.99Å; T536-I540 HydrophobicContact CG2-CD1 4.01Å; T536-I540 WeakPolarHBondContact O-CG1 3.47Å; T536-I540 PolarHBondContact O-N 3.03Å; I540-D543 PolarHBondContact O-N 3.43Å; I540-L544 HydrophobicContact CG2-CD1 3.94Å; I540-L544 HydrophobicContact CG2-CG 4.34Å; I540-L544 WeakPolarHBondContact O-CB 3.2Å; I540-L544 WeakPolarHBondContact O-CG 3.37Å; I540-L544 PolarHBondContact O-N 2.92Å; I540-L567 HydrophobicContact CB-CD1 4.39Å; I540-L567 HydrophobicContact CG2-CD1 4.14Å; I540-L567 HydrophobicContact CG2-CD2 3.55Å; I540-M574 HydrophobicContact CD1-CE 3.92Å |
| 541 | A | 98.2 | Very high | 95 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -61.6 | -45.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | G537 T538 F539 I545 T563 V564 L567 V584 | G537-A541 WeakPolarHBondContact O-CB 3.28Å; G537-A541 PolarHBondContact O-N 2.89Å; T538-A541 PolarHBondContact O-N 2.81Å; F539-A541 PolarHBondContact O-N 2.73Å; A541-I545 WeakPolarHBondContact O-CD1 3.3Å; A541-I545 VanDerWaalsContact O-CG1 3.26Å; A541-I545 WeakPolarHBondContact O-CG1 3.42Å; A541-I545 PolarHBondContact O-N 2.91Å; A541-T563 HydrophobicContact CB-CG2 4.06Å; A541-V564 HydrophobicContact CB-CG2 4.39Å; A541-L567 HydrophobicContact CB-CD1 3.78Å; A541-V584 HydrophobicContact CB-CG1 4.3Å; A541-V584 HydrophobicContact CB-CG2 4.24Å |
| 542 | I | 98.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -61 | -54 | 176.4 | -66.1 | 164 | 0 | 0 | 0 | 109.3 | V505 L509 T538 F539 L544 I545 L546 F583 V584 A587 | V505-I542 HydrophobicContact CG1-CD1 3.92Å; L509-I542 HydrophobicContact CD1-CB 3.97Å; L509-I542 HydrophobicContact CD1-CG2 3.55Å; T538-I542 HydrophobicContact CG2-CD1 3.93Å; T538-I542 WeakPolarHBondContact O-CD1 3.11Å; T538-I542 WeakPolarHBondContact O-CG1 3.4Å; T538-I542 PolarHBondContact O-N 3.15Å; F539-I542 PolarHBondContact O-N 2.94Å; I542-L544 VanDerWaalsContact C-N 3.33Å; I542-L544 PolarHBondContact O-N 2.59Å; I542-I545 PolarHBondContact O-N 3.46Å; I542-L546 HydrophobicContact CG2-CD1 4.03Å; I542-L546 HydrophobicContact CG2-CD2 4.19Å; I542-L546 HydrophobicContact CG2-CG 3.9Å; I542-L546 VanDerWaalsContact O-CG 3.27Å; I542-L546 WeakPolarHBondContact O-CG 3.24Å; I542-L546 PolarHBondContact O-N 3.38Å; I542-F583 HydrophobicContact CD1-CD1 4.19Å; I542-F583 HydrophobicContact CD1-CE1 4.09Å; I542-V584 HydrophobicContact CG1-CB 4.33Å; I542-V584 HydrophobicContact CG1-CG1 4.03Å; I542-V584 HydrophobicContact CG1-CG2 4.27Å; I542-A587 HydrophobicContact CD1-CB 3.59Å; I542-A587 HydrophobicContact CG1-CB 3.97Å; I542-A587 HydrophobicContact CG2-CB 4.13Å |
| 543 | D | 97.8 | Very high | 93.1 | Very high | 3 Ų | 3 | 15.8 Ų | 15.8 | 2% | 0.016 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -56.5 | -45.6 | -176 | -166.1 | 50.3 | 0 | 0 | 0 | 112.5 | R390 Y392 L509 N513 F539 I540 I545 L546 C547 | R390-D543 IonicContact CZ-OD2 3.83Å; R390-D543 IonicContact NE-OD2 2.74Å; R390-D543 PolarHBondContact NE-OD2 3.47Å; R390-D543 IonicContact NH2-OD2 3.42Å; R390-D543 PolarHBondContact NH2-OD2 3.36Å; R390-D543 VanDerWaalsContact NH2-OD2 3.08Å; Y392-D543 PolarHBondContact OH-OD2 2.74Å; L509-D543 HydrophobicContact CD1-CB 4.14Å; L509-D543 HydrophobicContact CD2-CB 4Å; N513-D543 PolarHBondContact ND2-OD1 3.03Å; N513-D543 PolarHBondContact OD1-OD1 3.01Å; F539-D543 WeakPolarHBondContact O-CB 3.47Å; F539-D543 PolarHBondContact O-N 3.02Å; I540-D543 PolarHBondContact O-N 3.43Å; D543-I545 VanDerWaalsContact C-N 3.33Å; D543-I545 PolarHBondContact O-N 2.84Å; D543-L546 PolarHBondContact O-N 3.32Å; D543-C547 WeakPolarHBondContact O-CB 3.48Å; D543-C547 PolarHBondContact O-N 3.03Å; D543-C547 PolarHBondContact O-SG 3.5Å; D543-C547 VanDerWaalsContact O-SG 3.36Å |
| 544 | L | 95.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -57.6 | -44.2 | 176.1 | -79.7 | 174.1 | 0 | 0 | 0 | 112.9 | V323 F385 R390 Y392 I540 I542 C547 L548 M566 L567 | V323-L544 HydrophobicContact CB-CD2 3.97Å; V323-L544 HydrophobicContact CG1-CD2 4.3Å; V323-L544 HydrophobicContact CG2-CD1 3.78Å; V323-L544 HydrophobicContact CG2-CD2 3.63Å; V323-L544 HydrophobicContact CG2-CG 4.37Å; F385-L544 HydrophobicContact CE1-CB 3.95Å; F385-L544 HydrophobicContact CE1-CD1 4.5Å; F385-L544 HydrophobicContact CZ-CD1 4.42Å; R390-L544 HydrophobicContact CB-CD2 4.15Å; Y392-L544 HydrophobicContact CE2-CD1 4.36Å; Y392-L544 HydrophobicContact CE2-CD2 3.74Å; Y392-L544 HydrophobicContact CE2-CG 3.89Å; I540-L544 HydrophobicContact CG2-CD1 3.94Å; I540-L544 HydrophobicContact CG2-CG 4.34Å; I540-L544 WeakPolarHBondContact O-CB 3.2Å; I540-L544 WeakPolarHBondContact O-CG 3.37Å; I540-L544 PolarHBondContact O-N 2.92Å; I542-L544 VanDerWaalsContact C-N 3.33Å; I542-L544 PolarHBondContact O-N 2.59Å; L544-C547 PolarHBondContact O-N 3.13Å; L544-L548 WeakPolarHBondContact O-CB 3.43Å; L544-L548 PolarHBondContact O-N 3.41Å; L544-M566 HydrophobicContact CD1-CE 3.58Å; L544-L567 HydrophobicContact CD1-CD2 3.97Å |
| 545 | I | 95.4 | Very high | 91.1 | Very high | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.005 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -70.7 | -38.5 | 179.2 | -63.4 | 165.5 | 0 | 0 | 0 | 110.6 | A541 I542 D543 C547 L548 V549 I558 I560 T563 V584 V588 | A541-I545 WeakPolarHBondContact O-CD1 3.3Å; A541-I545 VanDerWaalsContact O-CG1 3.26Å; A541-I545 WeakPolarHBondContact O-CG1 3.42Å; A541-I545 PolarHBondContact O-N 2.91Å; I542-I545 PolarHBondContact O-N 3.46Å; D543-I545 VanDerWaalsContact C-N 3.33Å; D543-I545 PolarHBondContact O-N 2.84Å; I545-C547 VanDerWaalsContact C-N 3.35Å; I545-L548 WeakPolarHBondContact O-CB 3.45Å; I545-L548 PolarHBondContact O-N 3.27Å; I545-V549 HydrophobicContact CG2-CG2 4.43Å; I545-V549 WeakPolarHBondContact O-CG2 3.3Å; I545-V549 PolarHBondContact O-N 2.93Å; I545-I558 HydrophobicContact CG2-CB 4.3Å; I545-I558 HydrophobicContact CG2-CD1 4.36Å; I545-I558 HydrophobicContact CG2-CG2 4.03Å; I545-I560 HydrophobicContact CD1-CB 4.41Å; I545-I560 HydrophobicContact CD1-CG1 3.56Å; I545-T563 HydrophobicContact CD1-CG2 4.23Å; I545-T563 HydrophobicContact CG1-CG2 4.24Å; I545-V584 HydrophobicContact CD1-CG1 4.03Å; I545-V588 HydrophobicContact CB-CG2 3.99Å; I545-V588 HydrophobicContact CD1-CG2 4.03Å; I545-V588 HydrophobicContact CG2-CB 4.36Å; I545-V588 HydrophobicContact CG2-CG1 3.64Å; I545-V588 HydrophobicContact CG2-CG2 3.68Å |
| 546 | L | 93.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61.9 | -44.6 | 174.7 | -58.5 | -160.5 | 0 | 0 | 0 | 110.8 | V506 L509 I542 D543 L548 V549 R550 Y591 | V506-L546 HydrophobicContact CG1-CD1 4.28Å; L509-L546 HydrophobicContact CD1-CD1 4.49Å; I542-L546 HydrophobicContact CG2-CD1 4.03Å; I542-L546 HydrophobicContact CG2-CD2 4.19Å; I542-L546 HydrophobicContact CG2-CG 3.9Å; I542-L546 VanDerWaalsContact O-CG 3.27Å; I542-L546 WeakPolarHBondContact O-CG 3.24Å; I542-L546 PolarHBondContact O-N 3.38Å; D543-L546 PolarHBondContact O-N 3.32Å; L546-L548 VanDerWaalsContact C-N 3.32Å; L546-L548 PolarHBondContact O-N 2.87Å; L546-V549 PolarHBondContact O-N 3.37Å; L546-R550 VanDerWaalsContact O-CB 3.25Å; L546-R550 WeakPolarHBondContact O-CB 3.36Å; L546-R550 PolarHBondContact O-N 3.03Å; L546-Y591 HydrophobicContact CB-CE1 4.48Å; L546-Y591 HydrophobicContact CD1-CD2 3.97Å; L546-Y591 HydrophobicContact CD1-CE2 4.39Å; L546-Y591 HydrophobicContact CD1-CG 4.2Å; L546-Y591 HydrophobicContact CD2-CD1 3.56Å; L546-Y591 HydrophobicContact CD2-CD2 4.07Å; L546-Y591 HydrophobicContact CD2-CE1 4.23Å; L546-Y591 HydrophobicContact CD2-CG 3.44Å; L546-Y591 VanDerWaalsContact CD2-CG 3.44Å; L546-Y591 HydrophobicContact CG-CD2 4.48Å; L546-Y591 HydrophobicContact CG-CG 4.3Å |
| 547 | C | 91.8 | Very high | 89.4 | Confident | 13 Ų | 13 | 21.4 Ų | 21.4 | 9% | 0.088 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.4 | -41.7 | 173.7 | -74.4 | 0 | 0 | 0 | 0 | 112.2 | V388 R390 D543 L544 I545 R550 K551 | V388-C547 HydrophobicContact CG1-CB 4.27Å; R390-C547 PolarHBondContact NE-SG 2.89Å; D543-C547 WeakPolarHBondContact O-CB 3.48Å; D543-C547 PolarHBondContact O-N 3.03Å; D543-C547 PolarHBondContact O-SG 3.5Å; D543-C547 VanDerWaalsContact O-SG 3.36Å; L544-C547 PolarHBondContact O-N 3.13Å; I545-C547 VanDerWaalsContact C-N 3.35Å; C547-R550 PolarHBondContact O-N 3.37Å; C547-K551 VanDerWaalsContact O-CB 3.24Å; C547-K551 WeakPolarHBondContact O-CB 3.47Å; C547-K551 PolarHBondContact O-N 2.54Å |
| 548 | L | 88.7 | Confident | 89 | Confident | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.9 | -48.4 | 176.4 | -179.3 | 62.3 | 0 | 0 | 0 | 111.8 | I384 V388 L544 I545 L546 K551 N552 I558 | I384-L548 VanDerWaalsContact O-CD1 3.25Å; I384-L548 WeakPolarHBondContact O-CD1 3.25Å; I384-L548 WeakPolarHBondContact O-CD2 3.21Å; V388-L548 HydrophobicContact CG2-CB 4.22Å; V388-L548 HydrophobicContact CG2-CD1 3.85Å; L544-L548 WeakPolarHBondContact O-CB 3.43Å; L544-L548 PolarHBondContact O-N 3.41Å; I545-L548 WeakPolarHBondContact O-CB 3.45Å; I545-L548 PolarHBondContact O-N 3.27Å; L546-L548 VanDerWaalsContact C-N 3.32Å; L546-L548 PolarHBondContact O-N 2.87Å; L548-K551 PolarHBondContact O-N 3.41Å; L548-N552 WeakPolarHBondContact CD1-ND2 3.48Å; L548-N552 WeakPolarHBondContact O-CB 3.26Å; L548-N552 PolarHBondContact O-N 3.29Å; L548-I558 HydrophobicContact CD2-CG2 4.04Å |
| 549 | V | 88.2 | Confident | 88.7 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -66.9 | -39.9 | 178 | 175.7 | 0 | 0 | 0 | 0 | 111.4 | P238 I545 L546 K551 G553 L554 I558 Y591 I592 F595 | P238-V549 HydrophobicContact CG-CG2 4.27Å; I545-V549 HydrophobicContact CG2-CG2 4.43Å; I545-V549 WeakPolarHBondContact O-CG2 3.3Å; I545-V549 PolarHBondContact O-N 2.93Å; L546-V549 PolarHBondContact O-N 3.37Å; V549-K551 PolarHBondContact O-N 2.92Å; V549-G553 CarbonylContact O-C 3.58Å; V549-G553 WeakPolarHBondContact O-CA 3.13Å; V549-G553 PolarHBondContact O-N 3.32Å; V549-L554 HydrophobicContact CG1-CD2 4.1Å; V549-I558 HydrophobicContact CG2-CG2 3.89Å; V549-Y591 HydrophobicContact CB-CE1 4.12Å; V549-Y591 HydrophobicContact CG1-CD1 4.41Å; V549-Y591 HydrophobicContact CG1-CE1 3.9Å; V549-I592 HydrophobicContact CG1-CG1 4.43Å; V549-F595 HydrophobicContact CG1-CD1 4.29Å |
| 550 | R | 85.7 | Confident | 88.6 | Confident | 83 Ų | 83 | 21.4 Ų | 21.4 | 31% | 0.313 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -64 | -41.7 | 177.9 | -166.6 | -177.4 | -55.2 | 107.2 | 1.6 | 111.6 | E510 N513 L546 C547 | E510-R550 IonicContact OE1-CZ 3.38Å; E510-R550 IonicContact OE1-NE 2.97Å; E510-R550 IonicContact OE1-NH2 2.84Å; E510-R550 PolarHBondContact OE1-NH2 3.25Å; E510-R550 IonicContact OE2-NH2 3.42Å; N513-R550 PolarHBondContact ND2-NH2 2.82Å; L546-R550 VanDerWaalsContact O-CB 3.25Å; L546-R550 WeakPolarHBondContact O-CB 3.36Å; L546-R550 PolarHBondContact O-N 3.03Å; C547-R550 PolarHBondContact O-N 3.37Å |
| 551 | K | 83.1 | Confident | 88.3 | Confident | 130 Ų | 130 | 22.6 Ų | 22.6 | 57% | 0.565 | 11% | 0.113 | S | C | * | . | H | α-helix | trans | -75.2 | -46.9 | -178.4 | -176.2 | 169 | -179.9 | 141.7 | 0 | 112.7 | G387 V388 C547 L548 V549 | G387-K551 WeakPolarHBondContact O-CD 3.46Å; G387-K551 WeakPolarHBondContact O-CE 3.35Å; G387-K551 PolarHBondContact O-NZ 3.24Å; V388-K551 HydrophobicContact CG2-CD 4.29Å; C547-K551 VanDerWaalsContact O-CB 3.24Å; C547-K551 WeakPolarHBondContact O-CB 3.47Å; C547-K551 PolarHBondContact O-N 2.54Å; L548-K551 PolarHBondContact O-N 3.41Å; V549-K551 PolarHBondContact O-N 2.92Å |
| 552 | N | 78.2 | Confident | 88 | Confident | 38 Ų | 38 | 23.3 Ų | 23.3 | 20% | 0.203 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -100.8 | -3.4 | -171.3 | -65.4 | -25.5 | 0 | 0 | 0 | 113.3 | L4 N386 L548 C556 | L4-N552 HydrophobicContact CD1-CB 4.39Å; L4-N552 WeakPolarHBondContact CD2-O 3.33Å; N386-N552 PolarHBondContact O-ND2 3.23Å; N386-N552 VanDerWaalsContact O-ND2 3.12Å; L548-N552 WeakPolarHBondContact CD1-ND2 3.48Å; L548-N552 WeakPolarHBondContact O-CB 3.26Å; L548-N552 PolarHBondContact O-N 3.29Å; N552-C556 HydrophobicContact CB-CB 3.62Å |
| 553 | G | 75.5 | Confident | 87.8 | Confident | 22 Ų | 22 | 23.4 Ų | 23.4 | 23% | 0.227 | 12% | 0.117 | C | C | . | . | trans | 74.7 | -177.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | V549 Q555 C556 | V549-G553 CarbonylContact O-C 3.58Å; V549-G553 WeakPolarHBondContact O-CA 3.13Å; V549-G553 PolarHBondContact O-N 3.32Å; G553-Q555 PolarHBondContact O-N 3.37Å; G553-Q555 VanDerWaalsContact O-N 3.11Å; G553-C556 PolarHBondContact O-N 3.15Å; G553-C556 PolarHBondContact O-SG 3.06Å | ||
| 554 | L | 81 | Confident | 87.7 | Confident | 24 Ų | 24 | 23.2 Ų | 23.2 | 13% | 0.126 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -6.6 | -178.8 | -67.9 | 172.4 | 0 | 0 | 0 | 114.7 | N237 P238 T239 V549 I592 F595 S596 | N237-L554 PolarHBondContact OD1-O 3.1Å; P238-L554 HydrophobicContact CB-CD2 4.1Å; T239-L554 HydrophobicContact CG2-CB 4.1Å; V549-L554 HydrophobicContact CG1-CD2 4.1Å; L554-I592 HydrophobicContact CD2-CB 4.46Å; L554-I592 HydrophobicContact CD2-CG1 4.43Å; L554-I592 HydrophobicContact CD2-CG2 3.75Å; L554-F595 HydrophobicContact CD1-CD1 4.21Å; L554-F595 HydrophobicContact CD2-CD1 3.81Å; L554-F595 HydrophobicContact CD2-CE1 4.48Å; L554-F595 HydrophobicContact CG-CD1 3.78Å; L554-F595 HydrophobicContact CG-CE1 4.08Å; L554-S596 WeakPolarHBondContact CD1-OG 3.43Å |
| 555 | Q | 70.6 | Confident | 87.5 | Confident | 61 Ų | 61 | 24.6 Ų | 24.6 | 29% | 0.285 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -1.8 | -178 | -50 | -54.2 | -11.5 | 0 | 0 | 113.1 | L4 N107 G553 | L4-Q555 HydrophobicContact CD2-CB 4.02Å; N107-Q555 PolarHBondContact ND2-OE1 3.45Å; G553-Q555 PolarHBondContact O-N 3.37Å; G553-Q555 VanDerWaalsContact O-N 3.11Å |
| 556 | C | 78.3 | Confident | 87.3 | Confident | 9 Ų | 9 | 24.6 Ų | 24.6 | 6% | 0.061 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -68.1 | 169 | 173.4 | 72.7 | 0 | 0 | 0 | 0 | 111.2 | P238 N552 G553 | P238-C556 WeakPolarHBondContact CD-O 3.12Å; N552-C556 HydrophobicContact CB-CB 3.62Å; G553-C556 PolarHBondContact O-N 3.15Å; G553-C556 PolarHBondContact O-SG 3.06Å |
| 557 | T | 83.1 | Confident | 87.4 | Confident | 61 Ų | 61 | 24.6 Ų | 24.6 | 37% | 0.374 | 12% | 0.123 | S | C | . | . | trans | -100.6 | 132.2 | 167 | -60.7 | 0 | 0 | 0 | 0 | 108 | K235 | K235-T557 HydrophobicContact CB-CG2 3.78Å; K235-T557 HydrophobicContact CD-CG2 4.24Å; K235-T557 HydrophobicContact CG-CG2 4.13Å | ||
| 558 | I | 90.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 148.3 | 171.5 | 64 | 172.9 | 0 | 0 | 0 | 109.2 | I236 P238 I241 I545 L548 V549 V588 I592 | I236-I558 HydrophobicContact CB-CD1 4.5Å; I236-I558 HydrophobicContact CB-CG1 3.93Å; I236-I558 HydrophobicContact CG2-CD1 4.45Å; I236-I558 HydrophobicContact CG2-CG1 4.32Å; I236-I558 PolarHBondContact N-O 2.79Å; I236-I558 WeakPolarHBondContact O-CG1 3.29Å; I236-I558 PolarHBondContact O-N 3.38Å; P238-I558 HydrophobicContact CG-CG1 4.48Å; P238-I558 HydrophobicContact CG-CG2 4.03Å; I241-I558 HydrophobicContact CD1-CD1 4.03Å; I545-I558 HydrophobicContact CG2-CB 4.3Å; I545-I558 HydrophobicContact CG2-CD1 4.36Å; I545-I558 HydrophobicContact CG2-CG2 4.03Å; L548-I558 HydrophobicContact CD2-CG2 4.04Å; V549-I558 HydrophobicContact CG2-CG2 3.89Å; I558-V588 HydrophobicContact CD1-CG1 3.75Å; I558-I592 HydrophobicContact CD1-CD1 4.14Å |
| 559 | D | 92.4 | Very high | 87.7 | Confident | 3 Ų | 3 | 24.8 Ų | 24.8 | 2% | 0.016 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 105.3 | 172 | -171.8 | -34.4 | 0 | 0 | 0 | 109.1 | T234 K235 I384 R561 Q562 T563 | T234-D559 WeakPolarHBondContact CB-OD1 3.42Å; T234-D559 PolarHBondContact OG1-OD1 3.34Å; T234-D559 PolarHBondContact OG1-OD2 3.43Å; K235-D559 HydrophobicContact CG-CB 4.29Å; K235-D559 PolarHBondContact N-OD2 3.41Å; I384-D559 HydrophobicContact CD1-CB 4.05Å; I384-D559 HydrophobicContact CG2-CB 4.31Å; D559-R561 WeakPolarHBondContact OD1-CA 3.44Å; D559-R561 WeakPolarHBondContact OD1-CB 3.36Å; D559-R561 PolarHBondContact OD1-N 3.06Å; D559-Q562 HydrophobicContact CB-CB 3.88Å; D559-Q562 VanDerWaalsContact CG-CB 3.46Å; D559-Q562 WeakPolarHBondContact OD1-CB 3.47Å; D559-Q562 PolarHBondContact OD1-N 2.84Å; D559-T563 WeakPolarHBondContact O-CB 3.41Å; D559-T563 PolarHBondContact O-N 3.35Å; D559-T563 PolarHBondContact O-OG1 2.83Å |
| 560 | I | 95.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -69.7 | -37.8 | -177.8 | -70.7 | 162.2 | 0 | 0 | 0 | 110.6 | I545 T563 V564 Y581 V584 Y585 | I545-I560 HydrophobicContact CD1-CB 4.41Å; I545-I560 HydrophobicContact CD1-CG1 3.56Å; I560-T563 PolarHBondContact O-N 2.98Å; I560-V564 WeakPolarHBondContact O-CG2 3.33Å; I560-V564 PolarHBondContact O-N 3.05Å; I560-Y581 HydrophobicContact CG2-CD2 4.42Å; I560-Y581 HydrophobicContact CG2-CE2 3.8Å; I560-V584 HydrophobicContact CD1-CG1 4.41Å; I560-V584 HydrophobicContact CG1-CG1 4.18Å; I560-V584 HydrophobicContact CG2-CB 4.12Å; I560-V584 HydrophobicContact CG2-CG1 3.75Å; I560-Y585 HydrophobicContact CB-CD2 4.28Å; I560-Y585 HydrophobicContact CB-CE2 3.79Å; I560-Y585 HydrophobicContact CD1-CD1 3.42Å; I560-Y585 VanDerWaalsContact CD1-CD1 3.42Å; I560-Y585 HydrophobicContact CD1-CD2 3.54Å; I560-Y585 HydrophobicContact CD1-CE1 3.61Å; I560-Y585 HydrophobicContact CD1-CE2 3.72Å; I560-Y585 HydrophobicContact CD1-CG 3.39Å; I560-Y585 HydrophobicContact CG1-CD2 4.47Å; I560-Y585 HydrophobicContact CG1-CE2 4.35Å; I560-Y585 HydrophobicContact CG2-CD2 3.89Å; I560-Y585 HydrophobicContact CG2-CE2 3.65Å |
| 561 | R | 93.1 | Very high | 88.4 | Confident | 25 Ų | 25 | 21.7 Ų | 21.7 | 9% | 0.094 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.4 | -51.5 | 178.5 | -168 | -169.3 | 54.7 | 74.9 | 9.3 | 110 | T234 L265 D559 T563 V564 Q565 Y581 | T234-R561 HydrophobicContact CG2-CB 3.79Å; T234-R561 HydrophobicContact CG2-CG 4.23Å; T234-R561 VanDerWaalsContact CG2-NE 3.26Å; T234-R561 PolarHBondContact OG1-NE 3.21Å; T234-R561 VanDerWaalsContact OG1-NE 3.13Å; T234-R561 PolarHBondContact OG1-NH2 2.8Å; L265-R561 HydrophobicContact CD1-CG 3.9Å; L265-R561 HydrophobicContact CD2-CG 3.71Å; L265-R561 WeakPolarHBondContact CD2-O 3.43Å; L265-R561 HydrophobicContact CG-CG 3.65Å; D559-R561 WeakPolarHBondContact OD1-CA 3.44Å; D559-R561 WeakPolarHBondContact OD1-CB 3.36Å; D559-R561 PolarHBondContact OD1-N 3.06Å; R561-T563 VanDerWaalsContact C-N 3.32Å; R561-T563 PolarHBondContact O-N 2.85Å; R561-V564 PolarHBondContact O-N 3.37Å; R561-Q565 WeakPolarHBondContact O-CB 3.32Å; R561-Q565 PolarHBondContact O-N 3.32Å; R561-Y581 WeakPolarHBondContact CA-OH 3.27Å; R561-Y581 VanDerWaalsContact CB-OH 3.32Å; R561-Y581 WeakPolarHBondContact CB-OH 3.39Å; R561-Y581 PolarHBondContact N-OH 2.74Å |
| 562 | Q | 90.4 | Very high | 88.9 | Confident | 16 Ų | 16 | 16.5 Ų | 16.5 | 8% | 0.075 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -64.3 | -36.7 | 179.6 | -172.7 | 171.8 | 15.4 | 0 | 0 | 112.2 | P380 I384 D559 V564 Q565 M566 | P380-Q562 VanDerWaalsContact C-NE2 3.31Å; P380-Q562 PolarHBondContact O-NE2 2.85Å; I384-Q562 HydrophobicContact CD1-CB 4.1Å; I384-Q562 HydrophobicContact CD1-CG 4.13Å; D559-Q562 HydrophobicContact CB-CB 3.88Å; D559-Q562 VanDerWaalsContact CG-CB 3.46Å; D559-Q562 WeakPolarHBondContact OD1-CB 3.47Å; D559-Q562 PolarHBondContact OD1-N 2.84Å; Q562-V564 PolarHBondContact O-N 3.18Å; Q562-Q565 PolarHBondContact O-N 3.28Å; Q562-M566 WeakPolarHBondContact O-CB 3.29Å; Q562-M566 PolarHBondContact O-N 3Å |
| 563 | T | 94.8 | Very high | 89.6 | Confident | 1 Ų | 1 | 15.3 Ų | 15.3 | 1% | 0.006 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -56.4 | -50.2 | 171.1 | -62.1 | 0 | 0 | 0 | 0 | 111.2 | F385 A541 I545 D559 I560 R561 M566 L567 | F385-T563 HydrophobicContact CZ-CG2 3.84Å; F385-T563 WeakPolarHBondContact CZ-OG1 3.43Å; A541-T563 HydrophobicContact CB-CG2 4.06Å; I545-T563 HydrophobicContact CD1-CG2 4.23Å; I545-T563 HydrophobicContact CG1-CG2 4.24Å; D559-T563 WeakPolarHBondContact O-CB 3.41Å; D559-T563 PolarHBondContact O-N 3.35Å; D559-T563 PolarHBondContact O-OG1 2.83Å; I560-T563 PolarHBondContact O-N 2.98Å; R561-T563 VanDerWaalsContact C-N 3.32Å; R561-T563 PolarHBondContact O-N 2.85Å; T563-M566 PolarHBondContact O-N 2.71Å; T563-L567 WeakPolarHBondContact O-CG 3.48Å; T563-L567 PolarHBondContact O-N 2.81Å |
| 564 | V | 95.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -67.3 | -37.8 | 179.4 | 175.3 | 0 | 0 | 0 | 0 | 111.6 | L265 A541 I560 R561 Q562 L567 R568 M574 V575 Y581 | L265-V564 HydrophobicContact CD1-CB 4.06Å; L265-V564 HydrophobicContact CD1-CG1 3.89Å; A541-V564 HydrophobicContact CB-CG2 4.39Å; I560-V564 WeakPolarHBondContact O-CG2 3.33Å; I560-V564 PolarHBondContact O-N 3.05Å; R561-V564 PolarHBondContact O-N 3.37Å; Q562-V564 PolarHBondContact O-N 3.18Å; V564-L567 PolarHBondContact O-N 3.39Å; V564-R568 HydrophobicContact CG1-CG 4.39Å; V564-R568 WeakPolarHBondContact O-CB 3.37Å; V564-R568 WeakPolarHBondContact O-CG 3.47Å; V564-R568 PolarHBondContact O-N 3.44Å; V564-M574 WeakPolarHBondContact CG1-O 3.49Å; V564-V575 HydrophobicContact CG1-CB 4.03Å; V564-V575 HydrophobicContact CG1-CG2 4.24Å; V564-V575 HydrophobicContact CG2-CB 4.42Å; V564-V575 HydrophobicContact CG2-CG2 3.95Å; V564-Y581 HydrophobicContact CG2-CD2 4.22Å; V564-Y581 HydrophobicContact CG2-CE2 4.17Å |
| 565 | Q | 92.3 | Very high | 91.3 | Very high | 29 Ų | 29 | 13.1 Ų | 13.1 | 14% | 0.136 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -59.1 | -46.9 | 174.9 | -174.2 | 179.3 | -12.4 | 0 | 0 | 111.6 | L265 Q268 E381 R561 Q562 L567 R568 S569 | L265-Q565 HydrophobicContact CD2-CB 3.8Å; Q268-Q565 VanDerWaalsContact OE1-OE1 3.09Å; E381-Q565 HydrophobicContact CG-CG 4.41Å; E381-Q565 PolarHBondContact OE1-NE2 2.79Å; R561-Q565 WeakPolarHBondContact O-CB 3.32Å; R561-Q565 PolarHBondContact O-N 3.32Å; Q562-Q565 PolarHBondContact O-N 3.28Å; Q565-L567 VanDerWaalsContact C-N 3.35Å; Q565-L567 PolarHBondContact O-N 3.31Å; Q565-R568 CarbonylContact O-C 3.55Å; Q565-R568 WeakPolarHBondContact O-CA 3.42Å; Q565-R568 WeakPolarHBondContact O-CB 3.4Å; Q565-R568 PolarHBondContact O-N 3.28Å; Q565-R568 VanDerWaalsContact O-N 3.13Å; Q565-S569 PolarHBondContact O-N 3.23Å |
| 566 | M | 92 | Very high | 92.5 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -60.7 | -42.3 | 174.8 | 174.8 | -76.3 | -62.8 | 0 | 0 | 111.6 | V323 E381 F382 F385 L544 Q562 T563 R568 S569 Q570 | V323-M566 HydrophobicContact CG2-CE 3.61Å; V323-M566 HydrophobicContact CG2-SD 3.96Å; E381-M566 HydrophobicContact CB-CB 4.25Å; F382-M566 HydrophobicContact CD1-CG 4.25Å; F382-M566 HydrophobicContact CE1-CG 3.86Å; F382-M566 HydrophobicContact CE1-SD 4.34Å; F382-M566 HydrophobicContact CE2-CG 4.39Å; F382-M566 HydrophobicContact CZ-CG 3.95Å; F385-M566 HydrophobicContact CD2-CE 4.46Å; F385-M566 HydrophobicContact CE2-CE 3.61Å; F385-M566 HydrophobicContact CE2-CG 4.43Å; F385-M566 HydrophobicContact CZ-CE 3.85Å; L544-M566 HydrophobicContact CD1-CE 3.58Å; Q562-M566 WeakPolarHBondContact O-CB 3.29Å; Q562-M566 PolarHBondContact O-N 3Å; T563-M566 PolarHBondContact O-N 2.71Å; M566-R568 VanDerWaalsContact C-N 3.29Å; M566-R568 PolarHBondContact O-N 2.99Å; M566-S569 PolarHBondContact O-N 3.13Å; M566-S569 PolarHBondContact O-OG 2.9Å; M566-Q570 PolarHBondContact O-N 2.82Å; M566-Q570 PolarHBondContact SD-NE2 3.23Å |
| 567 | L | 95.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62.3 | -40.2 | 174.5 | -66.5 | 177 | 0 | 0 | 0 | 111.5 | I321 I540 A541 L544 T563 V564 Q565 S569 Q570 R571 M574 | I321-L567 HydrophobicContact CD1-CD2 4.34Å; I321-L567 HydrophobicContact CG2-CD2 3.62Å; I540-L567 HydrophobicContact CB-CD1 4.39Å; I540-L567 HydrophobicContact CG2-CD1 4.14Å; I540-L567 HydrophobicContact CG2-CD2 3.55Å; A541-L567 HydrophobicContact CB-CD1 3.78Å; L544-L567 HydrophobicContact CD1-CD2 3.97Å; T563-L567 WeakPolarHBondContact O-CG 3.48Å; T563-L567 PolarHBondContact O-N 2.81Å; V564-L567 PolarHBondContact O-N 3.39Å; Q565-L567 VanDerWaalsContact C-N 3.35Å; Q565-L567 PolarHBondContact O-N 3.31Å; L567-S569 VanDerWaalsContact C-N 3.28Å; L567-S569 PolarHBondContact O-N 2.75Å; L567-Q570 PolarHBondContact O-N 3.21Å; L567-R571 PolarHBondContact O-N 3.38Å; L567-M574 HydrophobicContact CB-CB 3.77Å; L567-M574 HydrophobicContact CB-CG 4.02Å |
| 568 | R | 94 | Very high | 93.7 | Very high | 11 Ų | 11 | 17.1 Ų | 17.1 | 4% | 0.042 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -67.4 | -22.3 | 177.7 | -75.5 | 177 | 174.9 | -149.7 | -4.3 | 113.5 | L265 E269 F296 V564 Q565 M566 R571 M574 V575 | L265-R568 PolarHBondContact O-NH1 3.44Å; E269-R568 WeakPolarHBondContact OE1-CD 3.46Å; E269-R568 IonicContact OE1-CZ 3.79Å; E269-R568 IonicContact OE1-NE 3.98Å; E269-R568 PolarHBondContact OE1-NE 2.95Å; E269-R568 IonicContact OE1-NH1 3.79Å; E269-R568 PolarHBondContact OE1-NH1 3Å; E269-R568 IonicContact OE1-NH2 3.79Å; E269-R568 IonicContact OE2-NH1 2.76Å; F296-R568 VanDerWaalsContact CE2-O 3.27Å; F296-R568 WeakPolarHBondContact CE2-O 3.41Å; V564-R568 HydrophobicContact CG1-CG 4.39Å; V564-R568 WeakPolarHBondContact O-CB 3.37Å; V564-R568 WeakPolarHBondContact O-CG 3.47Å; V564-R568 PolarHBondContact O-N 3.44Å; Q565-R568 CarbonylContact O-C 3.55Å; Q565-R568 WeakPolarHBondContact O-CA 3.42Å; Q565-R568 WeakPolarHBondContact O-CB 3.4Å; Q565-R568 PolarHBondContact O-N 3.28Å; Q565-R568 VanDerWaalsContact O-N 3.13Å; M566-R568 VanDerWaalsContact C-N 3.29Å; M566-R568 PolarHBondContact O-N 2.99Å; R568-R571 VanDerWaalsContact CA-O 3.3Å; R568-R571 WeakPolarHBondContact CA-O 3.33Å; R568-M574 HydrophobicContact CG-CB 4.12Å; R568-M574 PolarHBondContact NE-O 3.48Å; R568-V575 PolarHBondContact NH2-O 2.95Å |
| 569 | S | 92 | Very high | 93.9 | Very high | 7 Ų | 7 | 19.2 Ų | 19.2 | 5% | 0.049 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -79.1 | -20.8 | 173.3 | 72.2 | 0 | 0 | 0 | 0 | 113.3 | Y274 H298 Q565 M566 L567 | Y274-S569 WeakPolarHBondContact CE2-O 3.28Å; H298-S569 PolarHBondContact NE2-O 3.28Å; Q565-S569 PolarHBondContact O-N 3.23Å; M566-S569 PolarHBondContact O-N 3.13Å; M566-S569 PolarHBondContact O-OG 2.9Å; L567-S569 VanDerWaalsContact C-N 3.28Å; L567-S569 PolarHBondContact O-N 2.75Å |
| 570 | Q | 94.2 | Very high | 94.1 | Very high | 18 Ų | 18 | 19.9 Ų | 19.9 | 8% | 0.084 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -99.1 | -28.5 | 177.7 | -60.2 | -168.4 | 70 | 0 | 0 | 113.5 | F296 T299 I321 E322 M566 L567 | F296-Q570 WeakPolarHBondContact CD2-O 3.42Å; T299-Q570 HydrophobicContact CG2-CB 4.37Å; T299-Q570 PolarHBondContact OG1-O 3.08Å; I321-Q570 HydrophobicContact CG1-CB 4.17Å; E322-Q570 PolarHBondContact O-NE2 3.04Å; E322-Q570 PolarHBondContact O-OE1 2.82Å; M566-Q570 PolarHBondContact O-N 2.82Å; M566-Q570 PolarHBondContact SD-NE2 3.23Å; L567-Q570 PolarHBondContact O-N 3.21Å |
| 571 | R | 95.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 0% | 0.004 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -148.4 | 129.8 | 169.5 | -175.4 | 171.3 | 177.5 | 83.3 | -2.3 | 110.2 | N317 N319 S394 A531 G532 I533 L567 R568 M574 | N317-R571 PolarHBondContact OD1-NH1 3.33Å; N317-R571 PolarHBondContact OD1-NH2 2.97Å; N319-R571 HydrophobicContact CB-CB 4.07Å; N319-R571 HydrophobicContact CB-CG 4.36Å; N319-R571 WeakPolarHBondContact OD1-CG 3.38Å; N319-R571 PolarHBondContact OD1-NH1 2.84Å; S394-R571 VanDerWaalsContact OG-CD 3.24Å; S394-R571 WeakPolarHBondContact OG-CD 3.28Å; A531-R571 PolarHBondContact O-NH2 3.14Å; G532-R571 PolarHBondContact O-NE 3.4Å; I533-R571 HydrophobicContact CG2-CG 4.07Å; L567-R571 PolarHBondContact O-N 3.38Å; R568-R571 VanDerWaalsContact CA-O 3.3Å; R568-R571 WeakPolarHBondContact CA-O 3.33Å; R571-M574 HydrophobicContact CB-CG 4.09Å; R571-M574 HydrophobicContact CB-SD 4.21Å; R571-M574 HydrophobicContact CG-SD 4.27Å; R571-M574 WeakPolarHBondContact O-CG 3.45Å |
| 572 | S | 92.7 | Very high | 94.3 | Very high | 21 Ų | 21 | 21.2 Ų | 21.2 | 15% | 0.147 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 142 | -176 | 59.8 | 0 | 0 | 0 | 0 | 113.3 | F296 I533 M574 | F296-S572 VanDerWaalsContact CE2-N 3.34Å; F296-S572 VanDerWaalsContact CZ-CB 3.49Å; F296-S572 VanDerWaalsContact CZ-N 3.34Å; I533-S572 WeakPolarHBondContact CG2-O 3.35Å; S572-M574 VanDerWaalsContact C-N 3.33Å; S572-M574 PolarHBondContact O-N 2.9Å |
| 573 | G | 93 | Very high | 94.7 | Very high | 13 Ų | 13 | 20.5 Ų | 20.5 | 13% | 0.134 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 20.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | E269 V575 Q576 | E269-G573 WeakPolarHBondContact OE1-CA 3.5Å; E269-G573 PolarHBondContact OE1-N 3.25Å; G573-V575 PolarHBondContact O-N 3Å; G573-Q576 VanDerWaalsContact O-CG 3.31Å; G573-Q576 WeakPolarHBondContact O-CG 3.19Å |
| 574 | M | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -59.9 | 128.8 | 173.4 | -66.3 | -66.2 | -82.8 | 0 | 0 | 109.9 | I321 I533 T536 I540 V564 L567 R568 R571 S572 | I321-M574 HydrophobicContact CD1-CE 3.66Å; I533-M574 HydrophobicContact CB-SD 4.2Å; I533-M574 HydrophobicContact CG2-SD 4.17Å; I533-M574 WeakPolarHBondContact O-CA 3.49Å; T536-M574 HydrophobicContact CG2-CE 4.42Å; I540-M574 HydrophobicContact CD1-CE 3.92Å; V564-M574 WeakPolarHBondContact CG1-O 3.49Å; L567-M574 HydrophobicContact CB-CB 3.77Å; L567-M574 HydrophobicContact CB-CG 4.02Å; R568-M574 HydrophobicContact CG-CB 4.12Å; R568-M574 PolarHBondContact NE-O 3.48Å; R571-M574 HydrophobicContact CB-CG 4.09Å; R571-M574 HydrophobicContact CB-SD 4.21Å; R571-M574 HydrophobicContact CG-SD 4.27Å; R571-M574 WeakPolarHBondContact O-CG 3.45Å; S572-M574 VanDerWaalsContact C-N 3.33Å; S572-M574 PolarHBondContact O-N 2.9Å |
| 575 | V | 97 | Very high | 94.9 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | S | Bend | trans | 60.1 | 103.3 | -167.7 | -174.3 | 0 | 0 | 0 | 0 | 111.4 | F262 I533 V564 R568 G573 Q580 Y581 | F262-V575 HydrophobicContact CE2-CG1 4.45Å; I533-V575 PolarHBondContact O-N 3.41Å; V564-V575 HydrophobicContact CG1-CB 4.03Å; V564-V575 HydrophobicContact CG1-CG2 4.24Å; V564-V575 HydrophobicContact CG2-CB 4.42Å; V564-V575 HydrophobicContact CG2-CG2 3.95Å; R568-V575 PolarHBondContact NH2-O 2.95Å; G573-V575 PolarHBondContact O-N 3Å; V575-Q580 HydrophobicContact CG1-CB 3.82Å; V575-Y581 HydrophobicContact CG1-CD2 4.48Å |
| 576 | Q | 94 | Very high | 95.2 | Very high | 88 Ų | 88 | 22.3 Ų | 22.3 | 41% | 0.411 | 12% | 0.122 | S | C | . | . | trans | -97.3 | -17 | -164.3 | -72.4 | -173.1 | -69.3 | 0 | 0 | 115.4 | I533 G573 | I533-Q576 HydrophobicContact CD1-CG 4.01Å; I533-Q576 HydrophobicContact CG1-CG 4.02Å; G573-Q576 VanDerWaalsContact O-CG 3.31Å; G573-Q576 WeakPolarHBondContact O-CG 3.19Å | ||
| 577 | T | 93.8 | Very high | 95.5 | Very high | 60 Ų | 60 | 22.3 Ų | 22.3 | 37% | 0.368 | 12% | 0.122 | S | C | . | . | S | Bend | trans | -136.8 | 152 | -173.4 | 63.1 | 0 | 0 | 0 | 0 | 110.1 | A579 Q580 Y581 | T577-A579 PolarHBondContact O-N 2.82Å; T577-Q580 WeakPolarHBondContact O-CB 3.47Å; T577-Q580 PolarHBondContact O-N 3.41Å; T577-Q580 VanDerWaalsContact OG1-CG 3.28Å; T577-Q580 WeakPolarHBondContact OG1-CG 3.48Å; T577-Q580 PolarHBondContact OG1-N 2.86Å; T577-Y581 PolarHBondContact O-N 3.36Å |
| 578 | E | 93.5 | Very high | 95.6 | Very high | 67 Ų | 67 | 22.3 Ų | 22.3 | 31% | 0.313 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -53.7 | -41.1 | 171.9 | -172.3 | -152.5 | 171.9 | 0 | 0 | 111.6 | F258 W259 F262 Q580 Y581 K582 | F258-E578 HydrophobicContact CB-CG 4.14Å; F258-E578 WeakPolarHBondContact CB-OE1 3.2Å; W259-E578 HydrophobicContact CB-CG 4.45Å; W259-E578 HydrophobicContact CE3-CB 3.73Å; W259-E578 HydrophobicContact CE3-CG 3.95Å; W259-E578 HydrophobicContact CZ3-CB 4.03Å; W259-E578 PolarHBondContact N-OE1 2.94Å; F262-E578 HydrophobicContact CD1-CB 4.13Å; F262-E578 HydrophobicContact CG-CB 4.46Å; E578-Q580 VanDerWaalsContact C-N 3.31Å; E578-Q580 PolarHBondContact O-N 2.84Å; E578-Y581 WeakPolarHBondContact O-CB 3.48Å; E578-Y581 PolarHBondContact O-N 2.96Å; E578-Y581 VanDerWaalsContact O-N 3.08Å; E578-K582 WeakPolarHBondContact O-CB 3.44Å; E578-K582 PolarHBondContact O-N 2.91Å |
| 579 | A | 95 | Very high | 95.7 | Very high | 43 Ų | 43 | 24.1 Ų | 24.1 | 36% | 0.355 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -58.7 | -41 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V498 T577 F583 | V498-A579 HydrophobicContact CG1-CB 4.42Å; V498-A579 WeakPolarHBondContact CG1-O 3.45Å; T577-A579 PolarHBondContact O-N 2.82Å; A579-F583 VanDerWaalsContact O-CB 3.28Å; A579-F583 WeakPolarHBondContact O-CB 3.39Å; A579-F583 PolarHBondContact O-N 2.79Å |
| 580 | Q | 96.9 | Very high | 95.9 | Very high | 18 Ų | 18 | 27.6 Ų | 27.6 | 8% | 0.084 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.3 | -42 | 173.9 | -72.8 | 167.5 | 4.6 | 0 | 0 | 111.6 | V498 V575 T577 E578 F583 V584 | V498-Q580 HydrophobicContact CG1-CB 4.47Å; V498-Q580 HydrophobicContact CG1-CG 3.96Å; V575-Q580 HydrophobicContact CG1-CB 3.82Å; T577-Q580 WeakPolarHBondContact O-CB 3.47Å; T577-Q580 PolarHBondContact O-N 3.41Å; T577-Q580 VanDerWaalsContact OG1-CG 3.28Å; T577-Q580 WeakPolarHBondContact OG1-CG 3.48Å; T577-Q580 PolarHBondContact OG1-N 2.86Å; E578-Q580 VanDerWaalsContact C-N 3.31Å; E578-Q580 PolarHBondContact O-N 2.84Å; Q580-F583 WeakPolarHBondContact O-CB 3.48Å; Q580-F583 PolarHBondContact O-N 2.75Å; Q580-V584 PolarHBondContact O-N 3.04Å; Q580-V584 VanDerWaalsContact O-N 3.08Å |
| 581 | Y | 96.6 | Very high | 96 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.2 | -49.8 | 177.7 | -175.1 | -103.6 | 0 | 0 | 0 | 111.9 | F258 E261 F262 L265 I560 R561 V564 V575 T577 E578 F583 V584 Y585 | F258-Y581 HydrophobicContact CD1-CD1 4.4Å; E261-Y581 HydrophobicContact CB-CE1 3.88Å; E261-Y581 PolarHBondContact OE2-OH 3.01Å; F262-Y581 HydrophobicContact CB-CD1 4.1Å; F262-Y581 HydrophobicContact CB-CG 4.31Å; F262-Y581 HydrophobicContact CD2-CD1 4.43Å; F262-Y581 HydrophobicContact CD2-CD2 4.06Å; F262-Y581 AromaticContact CD2-CG 3.79Å; F262-Y581 HydrophobicContact CD2-CG 3.79Å; F262-Y581 HydrophobicContact CG-CG 4.44Å; L265-Y581 HydrophobicContact CD1-CD2 4.02Å; L265-Y581 HydrophobicContact CD1-CE2 3.52Å; I560-Y581 HydrophobicContact CG2-CD2 4.42Å; I560-Y581 HydrophobicContact CG2-CE2 3.8Å; R561-Y581 WeakPolarHBondContact CA-OH 3.27Å; R561-Y581 VanDerWaalsContact CB-OH 3.32Å; R561-Y581 WeakPolarHBondContact CB-OH 3.39Å; R561-Y581 PolarHBondContact N-OH 2.74Å; V564-Y581 HydrophobicContact CG2-CD2 4.22Å; V564-Y581 HydrophobicContact CG2-CE2 4.17Å; V575-Y581 HydrophobicContact CG1-CD2 4.48Å; T577-Y581 PolarHBondContact O-N 3.36Å; E578-Y581 WeakPolarHBondContact O-CB 3.48Å; E578-Y581 PolarHBondContact O-N 2.96Å; E578-Y581 VanDerWaalsContact O-N 3.08Å; Y581-F583 VanDerWaalsContact C-N 3.26Å; Y581-F583 PolarHBondContact O-N 3.35Å; Y581-V584 WeakPolarHBondContact O-CB 3.14Å; Y581-V584 PolarHBondContact O-N 3.14Å; Y581-V584 VanDerWaalsContact O-N 3.13Å; Y581-Y585 HydrophobicContact CD1-CE2 4.36Å; Y581-Y585 HydrophobicContact CE1-CD2 4.3Å; Y581-Y585 AromaticContact CE1-CE2 3.64Å; Y581-Y585 HydrophobicContact CE1-CE2 3.64Å; Y581-Y585 AromaticContact CZ-CE2 3.81Å; Y581-Y585 PolarHBondContact O-N 3.22Å |
| 582 | K | 95.7 | Very high | 95.8 | Very high | 53 Ų | 53 | 27.6 Ų | 27.6 | 23% | 0.23 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57.3 | -38.4 | 171.4 | 177.4 | 176.9 | -178.7 | 169.6 | 0 | 112.3 | F258 E578 V584 Y585 M586 | F258-K582 HydrophobicContact CD1-CB 4.07Å; F258-K582 HydrophobicContact CD1-CG 4.3Å; F258-K582 HydrophobicContact CD2-CB 4.4Å; F258-K582 HydrophobicContact CD2-CD 3.98Å; F258-K582 HydrophobicContact CD2-CG 4.02Å; F258-K582 HydrophobicContact CE1-CB 4.32Å; F258-K582 HydrophobicContact CE1-CG 4.19Å; F258-K582 HydrophobicContact CE2-CD 4.08Å; F258-K582 HydrophobicContact CE2-CG 3.89Å; F258-K582 HydrophobicContact CG-CB 4.12Å; F258-K582 HydrophobicContact CG-CD 4.46Å; F258-K582 HydrophobicContact CG-CG 4.22Å; F258-K582 HydrophobicContact CZ-CG 3.98Å; E578-K582 WeakPolarHBondContact O-CB 3.44Å; E578-K582 PolarHBondContact O-N 2.91Å; K582-V584 VanDerWaalsContact C-N 3.31Å; K582-V584 PolarHBondContact O-N 2.85Å; K582-Y585 VanDerWaalsContact O-CB 3.31Å; K582-Y585 WeakPolarHBondContact O-CB 3.38Å; K582-Y585 PolarHBondContact O-N 2.82Å; K582-M586 HydrophobicContact CG-SD 4.31Å; K582-M586 WeakPolarHBondContact O-CG 3.49Å; K582-M586 PolarHBondContact O-N 3.39Å |
| 583 | F | 97.8 | Very high | 95.8 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 0% | 0.004 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.9 | -32.4 | 177.8 | -175 | -100.8 | 0 | 0 | 0 | 113 | W493 V498 P499 P502 V505 T538 I542 A579 Q580 Y581 Y585 M586 A587 | W493-F583 HydrophobicContact CH2-CD1 4.48Å; W493-F583 HydrophobicContact CH2-CE1 4.47Å; V498-F583 HydrophobicContact CB-CB 3.88Å; V498-F583 HydrophobicContact CB-CD1 4.4Å; V498-F583 HydrophobicContact CB-CD2 3.75Å; V498-F583 HydrophobicContact CB-CE2 4.41Å; V498-F583 HydrophobicContact CB-CG 3.74Å; V498-F583 HydrophobicContact CG1-CB 3.75Å; V498-F583 HydrophobicContact CG1-CG 4.07Å; V498-F583 HydrophobicContact CG2-CB 3.97Å; V498-F583 HydrophobicContact CG2-CD2 3.71Å; V498-F583 HydrophobicContact CG2-CG 4.04Å; P499-F583 HydrophobicContact CB-CE2 4.08Å; P499-F583 HydrophobicContact CB-CZ 3.88Å; P499-F583 HydrophobicContact CG-CE1 4.36Å; P499-F583 HydrophobicContact CG-CE2 4.4Å; P499-F583 HydrophobicContact CG-CZ 3.88Å; P499-F583 WeakPolarHBondContact O-CE2 3.24Å; P502-F583 HydrophobicContact CB-CE2 4.15Å; P502-F583 HydrophobicContact CB-CZ 4.37Å; P502-F583 HydrophobicContact CG-CE2 4.16Å; V505-F583 HydrophobicContact CB-CE1 4.29Å; V505-F583 HydrophobicContact CB-CZ 4.3Å; V505-F583 HydrophobicContact CG1-CE1 4.46Å; V505-F583 HydrophobicContact CG2-CE1 3.91Å; V505-F583 HydrophobicContact CG2-CZ 3.89Å; T538-F583 HydrophobicContact CG2-CD1 3.92Å; I542-F583 HydrophobicContact CD1-CD1 4.19Å; I542-F583 HydrophobicContact CD1-CE1 4.09Å; A579-F583 VanDerWaalsContact O-CB 3.28Å; A579-F583 WeakPolarHBondContact O-CB 3.39Å; A579-F583 PolarHBondContact O-N 2.79Å; Q580-F583 WeakPolarHBondContact O-CB 3.48Å; Q580-F583 PolarHBondContact O-N 2.75Å; Y581-F583 VanDerWaalsContact C-N 3.26Å; Y581-F583 PolarHBondContact O-N 3.35Å; F583-Y585 VanDerWaalsContact C-N 3.31Å; F583-Y585 PolarHBondContact O-N 2.71Å; F583-M586 PolarHBondContact O-N 3.15Å; F583-A587 HydrophobicContact CE1-CB 4.48Å; F583-A587 WeakPolarHBondContact O-CB 3.47Å; F583-A587 PolarHBondContact O-N 3.27Å |
| 584 | V | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.1 | -47.9 | 170.9 | -179.3 | 0 | 0 | 0 | 0 | 110 | T538 A541 I542 I545 I560 Q580 Y581 K582 M586 A587 V588 | T538-V584 HydrophobicContact CG2-CG2 3.86Å; A541-V584 HydrophobicContact CB-CG1 4.3Å; A541-V584 HydrophobicContact CB-CG2 4.24Å; I542-V584 HydrophobicContact CG1-CB 4.33Å; I542-V584 HydrophobicContact CG1-CG1 4.03Å; I542-V584 HydrophobicContact CG1-CG2 4.27Å; I545-V584 HydrophobicContact CD1-CG1 4.03Å; I560-V584 HydrophobicContact CD1-CG1 4.41Å; I560-V584 HydrophobicContact CG1-CG1 4.18Å; I560-V584 HydrophobicContact CG2-CB 4.12Å; I560-V584 HydrophobicContact CG2-CG1 3.75Å; Q580-V584 PolarHBondContact O-N 3.04Å; Q580-V584 VanDerWaalsContact O-N 3.08Å; Y581-V584 WeakPolarHBondContact O-CB 3.14Å; Y581-V584 PolarHBondContact O-N 3.14Å; Y581-V584 VanDerWaalsContact O-N 3.13Å; K582-V584 VanDerWaalsContact C-N 3.31Å; K582-V584 PolarHBondContact O-N 2.85Å; V584-M586 PolarHBondContact O-N 3.43Å; V584-A587 PolarHBondContact O-N 2.94Å; V584-V588 HydrophobicContact CG1-CG2 4.25Å; V584-V588 WeakPolarHBondContact O-CB 3.4Å; V584-V588 VanDerWaalsContact O-CG2 3.23Å; V584-V588 WeakPolarHBondContact O-CG2 3.35Å; V584-V588 PolarHBondContact O-N 2.97Å |
| 585 | Y | 97.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.4 | -45.9 | 175 | -85.7 | -95.3 | 0 | 0 | 0 | 112.6 | I236 R244 V245 L248 F258 E261 I560 Y581 K582 F583 V588 H589 | I236-Y585 HydrophobicContact CD1-CD1 4.35Å; I236-Y585 HydrophobicContact CD1-CE1 3.39Å; R244-Y585 HydrophobicContact CG-CE1 4.04Å; V245-Y585 HydrophobicContact CG2-CD1 4.22Å; L248-Y585 HydrophobicContact CD1-CD1 4.19Å; L248-Y585 HydrophobicContact CD1-CE1 3.59Å; L248-Y585 HydrophobicContact CD1-CE2 4.28Å; F258-Y585 HydrophobicContact CD1-CD2 4.12Å; F258-Y585 HydrophobicContact CD1-CE2 4.33Å; F258-Y585 HydrophobicContact CE1-CD1 4.14Å; F258-Y585 AromaticContact CE1-CD2 3.61Å; F258-Y585 HydrophobicContact CE1-CD2 3.61Å; F258-Y585 HydrophobicContact CE1-CE2 4.08Å; F258-Y585 AromaticContact CE1-CG 3.65Å; F258-Y585 HydrophobicContact CE1-CG 3.65Å; F258-Y585 HydrophobicContact CZ-CG 4.43Å; E261-Y585 PolarHBondContact OE2-OH 2.7Å; I560-Y585 HydrophobicContact CB-CD2 4.28Å; I560-Y585 HydrophobicContact CB-CE2 3.79Å; I560-Y585 HydrophobicContact CD1-CD1 3.42Å; I560-Y585 VanDerWaalsContact CD1-CD1 3.42Å; I560-Y585 HydrophobicContact CD1-CD2 3.54Å; I560-Y585 HydrophobicContact CD1-CE1 3.61Å; I560-Y585 HydrophobicContact CD1-CE2 3.72Å; I560-Y585 HydrophobicContact CD1-CG 3.39Å; I560-Y585 HydrophobicContact CG1-CD2 4.47Å; I560-Y585 HydrophobicContact CG1-CE2 4.35Å; I560-Y585 HydrophobicContact CG2-CD2 3.89Å; I560-Y585 HydrophobicContact CG2-CE2 3.65Å; Y581-Y585 HydrophobicContact CD1-CE2 4.36Å; Y581-Y585 HydrophobicContact CE1-CD2 4.3Å; Y581-Y585 AromaticContact CE1-CE2 3.64Å; Y581-Y585 HydrophobicContact CE1-CE2 3.64Å; Y581-Y585 AromaticContact CZ-CE2 3.81Å; Y581-Y585 PolarHBondContact O-N 3.22Å; K582-Y585 VanDerWaalsContact O-CB 3.31Å; K582-Y585 WeakPolarHBondContact O-CB 3.38Å; K582-Y585 PolarHBondContact O-N 2.82Å; F583-Y585 VanDerWaalsContact C-N 3.31Å; F583-Y585 PolarHBondContact O-N 2.71Å; Y585-V588 PolarHBondContact O-N 3.34Å; Y585-H589 VanDerWaalsContact O-CB 3.25Å; Y585-H589 WeakPolarHBondContact O-CB 3.4Å; Y585-H589 PolarHBondContact O-N 3.44Å |
| 586 | M | 97.2 | Very high | 94.7 | Very high | 68 Ų | 68 | 34.7 Ų | 34.7 | 34% | 0.335 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -64.3 | -41.9 | -179.6 | -65.8 | 177.7 | 69.2 | 0 | 0 | 112.5 | P502 K582 F583 V584 Y590 | P502-M586 HydrophobicContact CG-CB 3.91Å; P502-M586 HydrophobicContact CG-CE 4.3Å; K582-M586 HydrophobicContact CG-SD 4.31Å; K582-M586 WeakPolarHBondContact O-CG 3.49Å; K582-M586 PolarHBondContact O-N 3.39Å; F583-M586 PolarHBondContact O-N 3.15Å; V584-M586 PolarHBondContact O-N 3.43Å; M586-Y590 WeakPolarHBondContact O-CB 3.28Å; M586-Y590 PolarHBondContact O-N 3.33Å |
| 587 | A | 98.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.8 | -43.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | P502 V506 I542 F583 V584 Y590 Y591 | P502-A587 HydrophobicContact CB-CB 4.2Å; V506-A587 HydrophobicContact CG2-CB 4.18Å; V506-A587 WeakPolarHBondContact CG2-O 3.41Å; I542-A587 HydrophobicContact CD1-CB 3.59Å; I542-A587 HydrophobicContact CG1-CB 3.97Å; I542-A587 HydrophobicContact CG2-CB 4.13Å; F583-A587 HydrophobicContact CE1-CB 4.48Å; F583-A587 WeakPolarHBondContact O-CB 3.47Å; F583-A587 PolarHBondContact O-N 3.27Å; V584-A587 PolarHBondContact O-N 2.94Å; A587-Y590 PolarHBondContact O-N 3.18Å; A587-Y591 PolarHBondContact O-N 3.47Å |
| 588 | V | 97.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.3 | -41.8 | 176.1 | 174 | 0 | 0 | 0 | 0 | 110.7 | I241 I545 I558 V584 Y585 Y591 I592 | I241-V588 HydrophobicContact CD1-CB 4.07Å; I241-V588 HydrophobicContact CD1-CG1 3.59Å; I545-V588 HydrophobicContact CB-CG2 3.99Å; I545-V588 HydrophobicContact CD1-CG2 4.03Å; I545-V588 HydrophobicContact CG2-CB 4.36Å; I545-V588 HydrophobicContact CG2-CG1 3.64Å; I545-V588 HydrophobicContact CG2-CG2 3.68Å; I558-V588 HydrophobicContact CD1-CG1 3.75Å; V584-V588 HydrophobicContact CG1-CG2 4.25Å; V584-V588 WeakPolarHBondContact O-CB 3.4Å; V584-V588 VanDerWaalsContact O-CG2 3.23Å; V584-V588 WeakPolarHBondContact O-CG2 3.35Å; V584-V588 PolarHBondContact O-N 2.97Å; Y585-V588 PolarHBondContact O-N 3.34Å; V588-Y591 PolarHBondContact O-N 3.41Å; V588-I592 HydrophobicContact CG1-CD1 3.59Å; V588-I592 HydrophobicContact CG1-CG1 4.39Å; V588-I592 WeakPolarHBondContact O-CB 3.33Å; V588-I592 WeakPolarHBondContact O-CD1 3.36Å; V588-I592 VanDerWaalsContact O-CG1 3.28Å; V588-I592 WeakPolarHBondContact O-CG1 3.25Å; V588-I592 PolarHBondContact O-N 3.02Å |
| 589 | H | 96.5 | Very high | 93 | Very high | 48 Ų | 48 | 37.2 Ų | 37.2 | 22% | 0.222 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.7 | -49.4 | 174.5 | 174.1 | -151.8 | 0 | 0 | 0 | 111.7 | I241 D242 V245 Y585 Y591 I592 D593 | I241-H589 HydrophobicContact CD1-CB 4.14Å; I241-H589 HydrophobicContact CG1-CB 4.33Å; I241-H589 HydrophobicContact CG2-CB 3.99Å; D242-H589 IonicContact OD1-CE1 3.76Å; D242-H589 PolarHBondContact OD1-CE1 3Å; D242-H589 IonicContact OD1-NE2 3.68Å; V245-H589 HydrophobicContact CG2-CB 4.46Å; Y585-H589 VanDerWaalsContact O-CB 3.25Å; Y585-H589 WeakPolarHBondContact O-CB 3.4Å; Y585-H589 PolarHBondContact O-N 3.44Å; H589-Y591 VanDerWaalsContact C-N 3.3Å; H589-Y591 PolarHBondContact O-N 3.22Å; H589-I592 PolarHBondContact O-N 3.31Å; H589-D593 PolarHBondContact O-N 3.21Å |
| 590 | Y | 96.7 | Very high | 92.1 | Very high | 81 Ų | 81 | 39.9 Ų | 39.9 | 32% | 0.318 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -56.1 | -45.3 | 177.1 | 177.7 | -84.1 | 0 | 0 | 0 | 112 | V506 M586 A587 T594 | V506-Y590 HydrophobicContact CB-CD1 4.07Å; V506-Y590 HydrophobicContact CB-CE1 4.32Å; V506-Y590 HydrophobicContact CG1-CD1 4.19Å; V506-Y590 HydrophobicContact CG1-CE1 4.36Å; V506-Y590 HydrophobicContact CG2-CD1 3.98Å; M586-Y590 WeakPolarHBondContact O-CB 3.28Å; M586-Y590 PolarHBondContact O-N 3.33Å; A587-Y590 PolarHBondContact O-N 3.18Å; Y590-T594 WeakPolarHBondContact O-CB 3.36Å; Y590-T594 PolarHBondContact O-N 3.3Å; Y590-T594 VanDerWaalsContact O-N 3.08Å; Y590-T594 PolarHBondContact O-OG1 2.87Å |
| 591 | Y | 96.3 | Very high | 91.2 | Very high | 14 Ų | 14 | 42.8 Ų | 42.8 | 6% | 0.055 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.5 | -46.3 | 177.5 | 176.5 | -97.4 | 0 | 0 | 0 | 111.8 | V506 E510 L546 V549 A587 V588 H589 D593 T594 F595 | V506-Y591 HydrophobicContact CG1-CD2 3.77Å; V506-Y591 HydrophobicContact CG1-CG 4.41Å; E510-Y591 WeakPolarHBondContact OE1-CE2 3.48Å; L546-Y591 HydrophobicContact CB-CE1 4.48Å; L546-Y591 HydrophobicContact CD1-CD2 3.97Å; L546-Y591 HydrophobicContact CD1-CE2 4.39Å; L546-Y591 HydrophobicContact CD1-CG 4.2Å; L546-Y591 HydrophobicContact CD2-CD1 3.56Å; L546-Y591 HydrophobicContact CD2-CD2 4.07Å; L546-Y591 HydrophobicContact CD2-CE1 4.23Å; L546-Y591 HydrophobicContact CD2-CG 3.44Å; L546-Y591 VanDerWaalsContact CD2-CG 3.44Å; L546-Y591 HydrophobicContact CG-CD2 4.48Å; L546-Y591 HydrophobicContact CG-CG 4.3Å; V549-Y591 HydrophobicContact CB-CE1 4.12Å; V549-Y591 HydrophobicContact CG1-CD1 4.41Å; V549-Y591 HydrophobicContact CG1-CE1 3.9Å; A587-Y591 PolarHBondContact O-N 3.47Å; V588-Y591 PolarHBondContact O-N 3.41Å; H589-Y591 VanDerWaalsContact C-N 3.3Å; H589-Y591 PolarHBondContact O-N 3.22Å; Y591-D593 VanDerWaalsContact C-N 3.35Å; Y591-D593 PolarHBondContact O-N 3.46Å; Y591-T594 PolarHBondContact O-N 3.3Å; Y591-F595 HydrophobicContact CD1-CB 4.46Å; Y591-F595 HydrophobicContact CE1-CB 4.19Å; Y591-F595 HydrophobicContact CE1-CG 4.35Å; Y591-F595 VanDerWaalsContact O-CB 3.27Å; Y591-F595 WeakPolarHBondContact O-CB 3.13Å; Y591-F595 PolarHBondContact O-N 2.84Å |
| 592 | I | 92.1 | Very high | 90 | Very high | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.4 | -42.9 | -179.6 | -74 | 161.8 | 0 | 0 | 0 | 111.6 | P238 I241 V549 L554 I558 V588 H589 F595 S596 | P238-I592 HydrophobicContact CB-CD1 3.62Å; P238-I592 HydrophobicContact CB-CG1 4.04Å; P238-I592 HydrophobicContact CB-CG2 4.26Å; P238-I592 HydrophobicContact CG-CD1 4.5Å; P238-I592 WeakPolarHBondContact O-CG2 3.37Å; I241-I592 HydrophobicContact CB-CD1 4.33Å; I241-I592 HydrophobicContact CD1-CD1 3.87Å; I241-I592 HydrophobicContact CG2-CB 4.45Å; I241-I592 HydrophobicContact CG2-CD1 3.93Å; I241-I592 HydrophobicContact CG2-CG2 4.33Å; V549-I592 HydrophobicContact CG1-CG1 4.43Å; L554-I592 HydrophobicContact CD2-CB 4.46Å; L554-I592 HydrophobicContact CD2-CG1 4.43Å; L554-I592 HydrophobicContact CD2-CG2 3.75Å; I558-I592 HydrophobicContact CD1-CD1 4.14Å; V588-I592 HydrophobicContact CG1-CD1 3.59Å; V588-I592 HydrophobicContact CG1-CG1 4.39Å; V588-I592 WeakPolarHBondContact O-CB 3.33Å; V588-I592 WeakPolarHBondContact O-CD1 3.36Å; V588-I592 VanDerWaalsContact O-CG1 3.28Å; V588-I592 WeakPolarHBondContact O-CG1 3.25Å; V588-I592 PolarHBondContact O-N 3.02Å; H589-I592 PolarHBondContact O-N 3.31Å; I592-F595 PolarHBondContact O-N 2.84Å; I592-S596 VanDerWaalsContact O-CB 3.25Å; I592-S596 WeakPolarHBondContact O-CB 3.29Å; I592-S596 PolarHBondContact O-N 2.84Å; I592-S596 PolarHBondContact O-OG 2.88Å |
| 593 | D | 92.3 | Very high | 88.7 | Confident | 66 Ų | 66 | 48.2 Ų | 48.2 | 35% | 0.353 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62 | -45.6 | 176.4 | 179.4 | 51 | 0 | 0 | 0 | 111 | H589 Y591 S596 K597 | H589-D593 PolarHBondContact O-N 3.21Å; Y591-D593 VanDerWaalsContact C-N 3.35Å; Y591-D593 PolarHBondContact O-N 3.46Å; D593-S596 PolarHBondContact O-N 2.96Å; D593-K597 WeakPolarHBondContact O-CG 3.3Å; D593-K597 PolarHBondContact O-N 3.44Å; D593-K597 VanDerWaalsContact O-N 3.09Å; D593-K597 WeakPolarHBondContact OD1-CE 3.39Å; D593-K597 IonicContact OD1-NZ 3.77Å; D593-K597 PolarHBondContact OD1-NZ 3.43Å; D593-K597 WeakPolarHBondContact OD2-CE 3.28Å; D593-K597 IonicContact OD2-NZ 3.42Å; D593-K597 PolarHBondContact OD2-NZ 3.36Å |
| 594 | T | 91.4 | Very high | 87.5 | Confident | 52 Ų | 52 | 53.9 Ų | 53.9 | 32% | 0.319 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.1 | -48.2 | 176 | -55.8 | 0 | 0 | 0 | 0 | 111.6 | Y590 Y591 S596 K597 L598 | Y590-T594 WeakPolarHBondContact O-CB 3.36Å; Y590-T594 PolarHBondContact O-N 3.3Å; Y590-T594 VanDerWaalsContact O-N 3.08Å; Y590-T594 PolarHBondContact O-OG1 2.87Å; Y591-T594 PolarHBondContact O-N 3.3Å; T594-S596 VanDerWaalsContact C-N 3.35Å; T594-S596 PolarHBondContact O-N 2.98Å; T594-K597 PolarHBondContact O-N 3.16Å; T594-L598 HydrophobicContact CG2-CD1 4.35Å; T594-L598 WeakPolarHBondContact O-CG 3.47Å; T594-L598 PolarHBondContact O-N 3.16Å |
| 595 | F | 86.5 | Confident | 86.2 | Confident | 43 Ų | 43 | 58 Ų | 58 | 19% | 0.189 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.8 | -39.9 | 179.5 | -171.9 | -106.1 | 0 | 0 | 0 | 111.7 | V549 L554 Y591 I592 K597 L598 V599 | V549-F595 HydrophobicContact CG1-CD1 4.29Å; L554-F595 HydrophobicContact CD1-CD1 4.21Å; L554-F595 HydrophobicContact CD2-CD1 3.81Å; L554-F595 HydrophobicContact CD2-CE1 4.48Å; L554-F595 HydrophobicContact CG-CD1 3.78Å; L554-F595 HydrophobicContact CG-CE1 4.08Å; Y591-F595 HydrophobicContact CD1-CB 4.46Å; Y591-F595 HydrophobicContact CE1-CB 4.19Å; Y591-F595 HydrophobicContact CE1-CG 4.35Å; Y591-F595 VanDerWaalsContact O-CB 3.27Å; Y591-F595 WeakPolarHBondContact O-CB 3.13Å; Y591-F595 PolarHBondContact O-N 2.84Å; I592-F595 PolarHBondContact O-N 2.84Å; F595-K597 PolarHBondContact O-N 2.84Å; F595-L598 PolarHBondContact O-N 3.41Å; F595-V599 HydrophobicContact CD1-CG2 4.12Å; F595-V599 HydrophobicContact CE1-CG2 3.83Å; F595-V599 HydrophobicContact CE2-CG2 4.45Å; F595-V599 HydrophobicContact CZ-CG2 4.01Å; F595-V599 VanDerWaalsContact O-CG2 3.3Å; F595-V599 WeakPolarHBondContact O-CG2 3.47Å; F595-V599 PolarHBondContact O-N 3.04Å |
| 596 | S | 84.4 | Confident | 84.8 | Confident | 22 Ų | 22 | 62 Ų | 62 | 15% | 0.154 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.1 | -44.1 | 175.5 | -61.6 | 0 | 0 | 0 | 0 | 111.9 | L554 I592 D593 T594 V599 Q600 | L554-S596 WeakPolarHBondContact CD1-OG 3.43Å; I592-S596 VanDerWaalsContact O-CB 3.25Å; I592-S596 WeakPolarHBondContact O-CB 3.29Å; I592-S596 PolarHBondContact O-N 2.84Å; I592-S596 PolarHBondContact O-OG 2.88Å; D593-S596 PolarHBondContact O-N 2.96Å; T594-S596 VanDerWaalsContact C-N 3.35Å; T594-S596 PolarHBondContact O-N 2.98Å; S596-V599 PolarHBondContact O-N 3.21Å; S596-Q600 VanDerWaalsContact O-CG 3.26Å; S596-Q600 WeakPolarHBondContact O-CG 3.37Å; S596-Q600 PolarHBondContact O-N 2.89Å |
| 597 | K | 86.4 | Confident | 83.2 | Confident | 117 Ų | 117 | 62 Ų | 62 | 51% | 0.509 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 175.9 | -70.8 | 165.7 | 179.4 | 165.9 | 0 | 111.9 | D593 T594 F595 Q600 E601 | D593-K597 WeakPolarHBondContact O-CG 3.3Å; D593-K597 PolarHBondContact O-N 3.44Å; D593-K597 VanDerWaalsContact O-N 3.09Å; D593-K597 WeakPolarHBondContact OD1-CE 3.39Å; D593-K597 IonicContact OD1-NZ 3.77Å; D593-K597 PolarHBondContact OD1-NZ 3.43Å; D593-K597 WeakPolarHBondContact OD2-CE 3.28Å; D593-K597 IonicContact OD2-NZ 3.42Å; D593-K597 PolarHBondContact OD2-NZ 3.36Å; T594-K597 PolarHBondContact O-N 3.16Å; F595-K597 PolarHBondContact O-N 2.84Å; K597-Q600 PolarHBondContact O-N 3.14Å; K597-E601 PolarHBondContact O-N 3.38Å |
| 598 | L | 83.5 | Confident | 81.7 | Confident | 111 Ų | 111 | 65.2 Ų | 65.2 | 58% | 0.581 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -63.2 | -43.8 | 177.1 | -71.5 | 174.3 | 0 | 0 | 0 | 112.4 | T594 F595 Q600 E601 Y602 | T594-L598 HydrophobicContact CG2-CD1 4.35Å; T594-L598 WeakPolarHBondContact O-CG 3.47Å; T594-L598 PolarHBondContact O-N 3.16Å; F595-L598 PolarHBondContact O-N 3.41Å; L598-Q600 VanDerWaalsContact C-N 3.3Å; L598-Q600 PolarHBondContact O-N 3.15Å; L598-E601 PolarHBondContact O-N 2.94Å; L598-Y602 WeakPolarHBondContact O-CB 3.47Å; L598-Y602 PolarHBondContact O-N 2.99Å |
| 599 | V | 76.1 | Confident | 79.7 | Confident | 40 Ų | 40 | 66.7 Ų | 66.7 | 24% | 0.242 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.4 | -39.6 | 176.2 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | F595 S596 K603 | F595-V599 HydrophobicContact CD1-CG2 4.12Å; F595-V599 HydrophobicContact CE1-CG2 3.83Å; F595-V599 HydrophobicContact CE2-CG2 4.45Å; F595-V599 HydrophobicContact CZ-CG2 4.01Å; F595-V599 VanDerWaalsContact O-CG2 3.3Å; F595-V599 WeakPolarHBondContact O-CG2 3.47Å; F595-V599 PolarHBondContact O-N 3.04Å; S596-V599 PolarHBondContact O-N 3.21Å; V599-K603 HydrophobicContact CG1-CD 4.06Å; V599-K603 WeakPolarHBondContact O-CB 3.4Å; V599-K603 VanDerWaalsContact O-CG 3.24Å; V599-K603 WeakPolarHBondContact O-CG 3.34Å; V599-K603 PolarHBondContact O-N 2.86Å |
| 600 | Q | 77.1 | Confident | 77.6 | Confident | 99 Ų | 99 | 73.7 Ų | 73.7 | 46% | 0.463 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.1 | -45.5 | 176 | -72.5 | 168.5 | 21.6 | 0 | 0 | 111.8 | F29 S596 K597 L598 R604 | F29-Q600 HydrophobicContact CZ-CB 4.39Å; F29-Q600 HydrophobicContact CZ-CG 4.26Å; S596-Q600 VanDerWaalsContact O-CG 3.26Å; S596-Q600 WeakPolarHBondContact O-CG 3.37Å; S596-Q600 PolarHBondContact O-N 2.89Å; K597-Q600 PolarHBondContact O-N 3.14Å; L598-Q600 VanDerWaalsContact C-N 3.3Å; L598-Q600 PolarHBondContact O-N 3.15Å; Q600-R604 WeakPolarHBondContact O-CB 3.42Å; Q600-R604 PolarHBondContact O-N 2.71Å |
| 601 | E | 76.1 | Confident | 75.1 | Confident | 80 Ų | 80 | 77.8 Ų | 77.8 | 37% | 0.374 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -68.7 | -42.4 | 180 | -174.8 | 58.3 | -161.6 | 0 | 0 | 112.4 | K597 L598 K603 R604 I605 | K597-E601 PolarHBondContact O-N 3.38Å; L598-E601 PolarHBondContact O-N 2.94Å; E601-K603 VanDerWaalsContact C-N 3.29Å; E601-K603 PolarHBondContact O-N 2.84Å; E601-R604 WeakPolarHBondContact O-CB 3.21Å; E601-R604 PolarHBondContact O-N 2.7Å; E601-R604 IonicContact OE1-CZ 3.79Å; E601-R604 IonicContact OE1-NE 3.42Å; E601-R604 PolarHBondContact OE1-NE 2.69Å; E601-R604 VanDerWaalsContact OE1-NE 3.13Å; E601-R604 IonicContact OE1-NH2 2.7Å; E601-R604 PolarHBondContact OE1-NH2 3.21Å; E601-R604 IonicContact OE2-CZ 3.47Å; E601-R604 IonicContact OE2-NE 3.85Å; E601-R604 PolarHBondContact OE2-NE 3.1Å; E601-R604 IonicContact OE2-NH2 3.43Å; E601-I605 HydrophobicContact CG-CD1 4.01Å; E601-I605 HydrophobicContact CG-CG1 4.48Å; E601-I605 WeakPolarHBondContact O-CG1 3.49Å; E601-I605 PolarHBondContact O-N 3.3Å |
| 602 | Y | 71.6 | Confident | 72.7 | Confident | 130 Ų | 130 | 87 Ų | 87 | 51% | 0.51 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -56.5 | -47 | 176.9 | 176.3 | -93.3 | 0 | 0 | 0 | 111.2 | L598 I605 E606 | L598-Y602 WeakPolarHBondContact O-CB 3.47Å; L598-Y602 PolarHBondContact O-N 2.99Å; Y602-I605 WeakPolarHBondContact O-CB 3.23Å; Y602-I605 PolarHBondContact O-N 2.93Å; Y602-E606 HydrophobicContact CD1-CG 4.39Å; Y602-E606 HydrophobicContact CE1-CG 3.83Å; Y602-E606 WeakPolarHBondContact CE1-OE1 3.25Å; Y602-E606 PolarHBondContact O-N 3.35Å; Y602-E606 PolarHBondContact OH-OE1 3.07Å |
| 603 | K | 69.7 | Low | 70.6 | Confident | 37 Ų | 37 | 92 Ų | 92 | 16% | 0.161 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -73.2 | -30.6 | -179.7 | -62.9 | 176.5 | -179.6 | 176.6 | 0 | 112.2 | F29 V599 E601 I605 E606 E607 | F29-K603 HydrophobicContact CB-CB 4.25Å; F29-K603 HydrophobicContact CB-CD 4.12Å; F29-K603 HydrophobicContact CD1-CB 3.08Å; F29-K603 HydrophobicContact CD1-CD 3.79Å; F29-K603 HydrophobicContact CD1-CG 4.09Å; F29-K603 HydrophobicContact CD2-CB 4.08Å; F29-K603 HydrophobicContact CD2-CD 3.11Å; F29-K603 HydrophobicContact CD2-CG 4.25Å; F29-K603 HydrophobicContact CE1-CB 3.21Å; F29-K603 HydrophobicContact CE1-CD 3.9Å; F29-K603 HydrophobicContact CE1-CG 4.23Å; F29-K603 HydrophobicContact CE2-CB 4.19Å; F29-K603 HydrophobicContact CE2-CD 3.25Å; F29-K603 HydrophobicContact CE2-CG 4.39Å; F29-K603 HydrophobicContact CG-CB 3.51Å; F29-K603 HydrophobicContact CG-CD 3.35Å; F29-K603 HydrophobicContact CG-CG 4.06Å; F29-K603 HydrophobicContact CZ-CB 3.77Å; F29-K603 HydrophobicContact CZ-CD 3.64Å; F29-K603 HydrophobicContact CZ-CG 4.36Å; V599-K603 HydrophobicContact CG1-CD 4.06Å; V599-K603 WeakPolarHBondContact O-CB 3.4Å; V599-K603 VanDerWaalsContact O-CG 3.24Å; V599-K603 WeakPolarHBondContact O-CG 3.34Å; V599-K603 PolarHBondContact O-N 2.86Å; E601-K603 VanDerWaalsContact C-N 3.29Å; E601-K603 PolarHBondContact O-N 2.84Å; K603-I605 VanDerWaalsContact C-N 3.33Å; K603-E606 PolarHBondContact O-N 2.81Å; K603-E607 WeakPolarHBondContact O-CG 3.48Å; K603-E607 PolarHBondContact O-N 2.82Å; K603-E607 VanDerWaalsContact O-N 3.11Å |
| 604 | R | 72.6 | Confident | 68.1 | Low | 120 Ų | 120 | 95.5 Ų | 95.5 | 45% | 0.453 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.4 | -42.8 | 167.9 | -167.9 | -169.5 | 79.8 | 81.9 | 3.7 | 111.3 | Q600 E601 E607 T608 | Q600-R604 WeakPolarHBondContact O-CB 3.42Å; Q600-R604 PolarHBondContact O-N 2.71Å; E601-R604 WeakPolarHBondContact O-CB 3.21Å; E601-R604 PolarHBondContact O-N 2.7Å; E601-R604 IonicContact OE1-CZ 3.79Å; E601-R604 IonicContact OE1-NE 3.42Å; E601-R604 PolarHBondContact OE1-NE 2.69Å; E601-R604 VanDerWaalsContact OE1-NE 3.13Å; E601-R604 IonicContact OE1-NH2 2.7Å; E601-R604 PolarHBondContact OE1-NH2 3.21Å; E601-R604 IonicContact OE2-CZ 3.47Å; E601-R604 IonicContact OE2-NE 3.85Å; E601-R604 PolarHBondContact OE2-NE 3.1Å; E601-R604 IonicContact OE2-NH2 3.43Å; R604-E607 WeakPolarHBondContact O-CB 3.32Å; R604-E607 PolarHBondContact O-N 2.79Å; R604-T608 PolarHBondContact O-N 2.71Å; R604-T608 PolarHBondContact O-OG1 3.08Å |
| 605 | I | 70.6 | Confident | 65.5 | Low | 87 Ų | 87 | 100 Ų | 100 | 45% | 0.446 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.6 | -39.9 | 176.2 | -68.2 | 166.1 | 0 | 0 | 0 | 111 | E601 Y602 K603 E607 T608 G609 | E601-I605 HydrophobicContact CG-CD1 4.01Å; E601-I605 HydrophobicContact CG-CG1 4.48Å; E601-I605 WeakPolarHBondContact O-CG1 3.49Å; E601-I605 PolarHBondContact O-N 3.3Å; Y602-I605 WeakPolarHBondContact O-CB 3.23Å; Y602-I605 PolarHBondContact O-N 2.93Å; K603-I605 VanDerWaalsContact C-N 3.33Å; I605-E607 PolarHBondContact O-N 3.29Å; I605-T608 PolarHBondContact O-N 2.71Å; I605-G609 VanDerWaalsContact O-CA 3.25Å; I605-G609 WeakPolarHBondContact O-CA 3.47Å; I605-G609 PolarHBondContact O-N 3.09Å |
| 606 | E | 67.2 | Low | 63 | Low | 83 Ų | 83 | 106.7 Ų | 106.7 | 39% | 0.388 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.3 | -32.3 | 173.8 | -76.1 | -170.9 | 154.8 | 0 | 0 | 112.5 | Y602 K603 | Y602-E606 HydrophobicContact CD1-CG 4.39Å; Y602-E606 HydrophobicContact CE1-CG 3.83Å; Y602-E606 WeakPolarHBondContact CE1-OE1 3.25Å; Y602-E606 PolarHBondContact O-N 3.35Å; Y602-E606 PolarHBondContact OH-OE1 3.07Å; K603-E606 PolarHBondContact O-N 2.81Å |
| 607 | E | 63.9 | Low | 60.7 | Low | 68 Ų | 68 | 116.1 Ų | 116.1 | 32% | 0.318 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -72.7 | -49.1 | 174.7 | -70.2 | -178.2 | 169.8 | 0 | 0 | 112.5 | F29 D30 R50 K603 R604 I605 | F29-E607 WeakPolarHBondContact CA-OE1 3.43Å; D30-E607 PolarHBondContact N-OE1 3.47Å; R50-E607 IonicContact CZ-OE1 3.74Å; R50-E607 VanDerWaalsContact CZ-OE1 3.27Å; R50-E607 IonicContact CZ-OE2 3.22Å; R50-E607 IonicContact NE-OE1 3.26Å; R50-E607 IonicContact NH1-OE1 3.25Å; R50-E607 IonicContact NH2-OE1 2.72Å; R50-E607 PolarHBondContact NH2-OE1 3.03Å; R50-E607 IonicContact NH2-OE2 3.45Å; R50-E607 PolarHBondContact NH2-OE2 3.16Å; K603-E607 WeakPolarHBondContact O-CG 3.48Å; K603-E607 PolarHBondContact O-N 2.82Å; K603-E607 VanDerWaalsContact O-N 3.11Å; R604-E607 WeakPolarHBondContact O-CB 3.32Å; R604-E607 PolarHBondContact O-N 2.79Å; I605-E607 PolarHBondContact O-N 3.29Å |
| 608 | T | 67.2 | Low | 58.4 | Low | 68 Ų | 68 | 114 Ų | 114 | 42% | 0.417 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -80.6 | -29.7 | -177.2 | 57.9 | 0 | 0 | 0 | 0 | 113.5 | R604 I605 R610 E611 | R604-T608 PolarHBondContact O-N 2.71Å; R604-T608 PolarHBondContact O-OG1 3.08Å; I605-T608 PolarHBondContact O-N 2.71Å; T608-R610 PolarHBondContact O-N 3.31Å; T608-R610 VanDerWaalsContact O-N 3.12Å; T608-E611 PolarHBondContact O-N 3.27Å; T608-E611 VanDerWaalsContact O-N 3.15Å |
| 609 | G | 56.2 | Low | 56.7 | Low | 30 Ų | 30 | 114 Ų | 114 | 31% | 0.309 | 54% | 0.54 | S | S | . | . | G | 310 helix | trans | -72.3 | -1.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | I605 E611 Y612 | I605-G609 VanDerWaalsContact O-CA 3.25Å; I605-G609 WeakPolarHBondContact O-CA 3.47Å; I605-G609 PolarHBondContact O-N 3.09Å; G609-E611 PolarHBondContact O-N 3.33Å; G609-Y612 VanDerWaalsContact O-CD2 3.31Å; G609-Y612 WeakPolarHBondContact O-CD2 3.4Å |
| 610 | R | 50.6 | Low | 55.3 | Low | 196 Ų | 196 | 119.3 Ų | 119.3 | 74% | 0.74 | 56% | 0.563 | S | S | * | * | G | 310 helix | trans | -75.1 | -5.6 | 166.4 | -68 | -167.7 | -174.1 | -178.3 | 8.6 | 113.3 | T608 Y612 | T608-R610 PolarHBondContact O-N 3.31Å; T608-R610 VanDerWaalsContact O-N 3.12Å; R610-Y612 PolarHBondContact O-N 2.89Å |
| 611 | E | 46.1 | Very low | 53.4 | Low | 166 Ų | 166 | 118.8 Ų | 118.8 | 78% | 0.776 | 58% | 0.576 | S | S | * | * | G | 310 helix | trans | -88.3 | 15.3 | 177.7 | -71.5 | -171.3 | 158.8 | 0 | 0 | 115.5 | T608 G609 T613 | T608-E611 PolarHBondContact O-N 3.27Å; T608-E611 VanDerWaalsContact O-N 3.15Å; G609-E611 PolarHBondContact O-N 3.33Å; E611-T613 VanDerWaalsContact C-N 3.35Å; E611-T613 PolarHBondContact O-N 2.77Å |
| 612 | Y | 44.1 | Very low | 51.6 | Low | 209 Ų | 209 | 119.2 Ų | 119.2 | 82% | 0.82 | 59% | 0.593 | S | S | * | * | trans | -80 | 81.1 | 166.6 | -66.5 | -75.2 | 0 | 0 | 0 | 111.1 | G609 R610 | G609-Y612 VanDerWaalsContact O-CD2 3.31Å; G609-Y612 WeakPolarHBondContact O-CD2 3.4Å; R610-Y612 PolarHBondContact O-N 2.89Å | ||
| 613 | T | 48.1 | Very low | 50.3 | Low | 109 Ų | 109 | 117.6 Ų | 117.6 | 67% | 0.669 | 60% | 0.6 | S | S | * | * | trans | -119.1 | 8.1 | 169.7 | 47.2 | 0 | 0 | 0 | 0 | 115.2 | E611 | E611-T613 VanDerWaalsContact C-N 3.35Å; E611-T613 PolarHBondContact O-N 2.77Å | ||
| 614 | N | 40.2 | Very low | 48.6 | Very low | 138 Ų | 138 | 121.2 Ų | 121.2 | 74% | 0.738 | 63% | 0.63 | S | S | * | * | trans | -122.1 | 27.5 | -175.1 | -67.4 | -23.9 | 0 | 0 | 0 | 116.7 | R616 | N614-R616 PolarHBondContact O-N 2.82Š| ||
| 615 | I | 37.1 | Very low | 46.7 | Very low | 146 Ų | 146 | 124.5 Ų | 124.5 | 75% | 0.749 | 65% | 0.651 | S | S | * | * | trans | -87 | 75.4 | 149.4 | -51.8 | 178.1 | 0 | 0 | 0 | 106.7 | Y617 | I615-Y617 HydrophobicContact CG2-CE2 4.48Å; I615-Y617 PolarHBondContact O-N 2.8Å | ||
| 616 | R | 33.7 | Very low | 44.7 | Very low | 185 Ų | 185 | 129.1 Ų | 129.1 | 70% | 0.698 | 68% | 0.675 | S | S | * | * | trans | -70.9 | 114.6 | 157.5 | -69.2 | -175 | -179.7 | -172 | -0.2 | 105.6 | N614 T618 | N614-R616 PolarHBondContact O-N 2.82Å; R616-T618 HydrophobicContact CB-CG2 3.77Å; R616-T618 PolarHBondContact O-N 2.86Å | ||
| 617 | Y | 36.8 | Very low | 43 | Very low | 219 Ų | 219 | 129.3 Ų | 129.3 | 86% | 0.859 | 69% | 0.691 | S | S | * | * | trans | -63 | 85.3 | 152.7 | -77.5 | -84.1 | 0 | 0 | 0 | 105.7 | I615 S619 | I615-Y617 HydrophobicContact CG2-CE2 4.48Å; I615-Y617 PolarHBondContact O-N 2.8Å; Y617-S619 PolarHBondContact O-N 2.93Å | ||
| 618 | T | 38.3 | Very low | 41.4 | Very low | 72 Ų | 72 | 132.1 Ų | 132.1 | 44% | 0.442 | 72% | 0.715 | S | S | . | * | trans | -76.5 | 95.8 | 175.2 | 34.7 | 0 | 0 | 0 | 0 | 106.9 | R616 E620 A621 | R616-T618 HydrophobicContact CB-CG2 3.77Å; R616-T618 PolarHBondContact O-N 2.86Å; T618-E620 PolarHBondContact O-N 3.39Å; T618-E620 VanDerWaalsContact O-N 3.15Å; T618-A621 PolarHBondContact O-N 3.25Å | ||
| 619 | S | 47.1 | Very low | 39.6 | Very low | 111 Ų | 111 | 137.1 Ų | 137.1 | 78% | 0.776 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | -4.1 | 152.9 | 43.7 | 0 | 0 | 0 | 0 | 112.3 | Y617 | Y617-S619 PolarHBondContact O-N 2.93Š|
| 620 | E | 46 | Very low | 38.2 | Very low | 152 Ų | 152 | 140.8 Ų | 140.8 | 71% | 0.71 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | -5.2 | 179.3 | -70.1 | 176.3 | 160.8 | 0 | 0 | 114.8 | T618 A622 | T618-E620 PolarHBondContact O-N 3.39Å; T618-E620 VanDerWaalsContact O-N 3.15Å; E620-A622 PolarHBondContact O-N 2.96Å |
| 621 | A | 38.7 | Very low | 37.2 | Very low | 89 Ų | 89 | 137.1 Ų | 137.1 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -6.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | T618 | T618-A621 PolarHBondContact O-N 3.25Š|
| 622 | A | 38.7 | Very low | 36.4 | Very low | 89 Ų | 89 | 133.8 Ų | 133.8 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | -9.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | E620 | E620-A622 PolarHBondContact O-N 2.96Š|
| 623 | S | 43.8 | Very low | 35.5 | Very low | 96 Ų | 96 | 127.6 Ų | 127.6 | 67% | 0.671 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -138.5 | 66.1 | -171.8 | -71.7 | 0 | 0 | 0 | 0 | 111.9 | ||
| 624 | S | 33.6 | Very low | 34.3 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -178.1 | 127.4 | 153 | -79.2 | 0 | 0 | 0 | 0 | 109.3 | ||
| 625 | Q | 33.4 | Very low | 33.6 | Very low | 190 Ų | 190 | 132.3 Ų | 132.3 | 89% | 0.888 | 77% | 0.765 | S | S | * | * | trans | 90.5 | 57.1 | 175.1 | -47.4 | -173 | 15 | 0 | 0 | 116.7 | ||||
| 626 | L | 28.7 | Very low | 32.8 | Very low | 183 Ų | 183 | 132.9 Ų | 132.9 | 96% | 0.958 | 76% | 0.764 | S | S | * | * | trans | -106.3 | 91.5 | 138.8 | -75.1 | 170.1 | 0 | 0 | 0 | 107.3 | ||||
| 627 | A | 31.2 | Very low | 32.4 | Very low | 87 Ų | 87 | 130.4 Ų | 130.4 | 72% | 0.719 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -87 | 143.7 | 160.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||
| 628 | P | 29.6 | Very low | 32 | Very low | 127 Ų | 127 | 129 Ų | 129 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 125.9 | -154.8 | 27.4 | -18.6 | 0 | 0 | 0 | 111.9 | ||
| 629 | I | 29.1 | Very low | 31.1 | Very low | 173 Ų | 173 | 130.4 Ų | 130.4 | 89% | 0.887 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -97.6 | 119.1 | 159.6 | -61.3 | 177.6 | 0 | 0 | 0 | 107.2 | ||
| 630 | S | 27.3 | Very low | 30.3 | Very low | 107 Ų | 107 | 136.2 Ų | 136.2 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 155.6 | -179.8 | -170.7 | 0 | 0 | 0 | 0 | 113.5 | ||
| 631 | P | 30.2 | Very low | 29.3 | Very low | 120 Ų | 120 | 132.3 Ų | 132.3 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -95.5 | 132.4 | -162.6 | 33 | -24.7 | 0 | 0 | 0 | 114.1 | ||
| 632 | A | 28.3 | Very low | 28.6 | Very low | 96 Ų | 96 | 139.3 Ų | 139.3 | 79% | 0.793 | 79% | 0.793 | S | S | * | * | trans | -134.6 | 96.7 | 154.4 | 0 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 633 | A | 25.6 | Very low | 28 | Very low | 79 Ų | 79 | 144.4 Ų | 144.4 | 65% | 0.653 | 80% | 0.802 | S | S | * | * | 65.2 | 108.9 | 78.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 634 | F | 22.1 | Very low | 26.9 | Very low | 198 Ų | 198 | 145.9 Ų | 145.9 | 87% | 0.868 | 81% | 0.807 | S | S | * | * | trans | 72.6 | 132.7 | 166.7 | -62.8 | -94.4 | 0 | 0 | 0 | 115.3 | ||||
| 635 | D | 25.8 | Very low | 26.6 | Very low | 147 Ų | 147 | 152.5 Ų | 152.5 | 79% | 0.786 | 82% | 0.815 | S | S | * | * | cis | -153.8 | 148.9 | 44.3 | -155.6 | -2.5 | 0 | 0 | 0 | 112.5 | ||||
| 636 | E | 21.2 | Very low | 26.1 | Very low | 158 Ų | 158 | 149.3 Ų | 149.3 | 74% | 0.738 | 81% | 0.812 | S | S | * | * | trans | -73.3 | 170.8 | 171.6 | -73.7 | 177.7 | 135.4 | 0 | 0 | 110.5 | ||||
| 637 | N | 24.2 | Very low | 26.4 | Very low | 134 Ų | 134 | 146.4 Ų | 146.4 | 72% | 0.717 | 80% | 0.804 | S | S | * | * | trans | 84.1 | 98.5 | 169.1 | -52.9 | -51.7 | 0 | 0 | 0 | 116.8 | ||||
| 638 | Q | 28.2 | Very low | 26 | Very low | 188 Ų | 188 | 147.6 Ų | 147.6 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | -156 | 105.8 | 110.5 | -106.2 | 168.3 | 48.5 | 0 | 0 | 111.1 | |||||
| 639 | S | 21.3 | Very low | 26 | Very low | 102 Ų | 102 | 147.4 Ų | 147.4 | 71% | 0.713 | 81% | 0.809 | S | S | * | * | trans | -88.3 | 123.1 | 166 | 56 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 640 | Y | 29.6 | Very low | 26 | Very low | 234 Ų | 234 | 144 Ų | 144 | 92% | 0.918 | 80% | 0.801 | S | S | * | * | trans | -154.2 | 126.9 | 150.4 | -79.7 | -79.6 | 0 | 0 | 0 | 103.5 | ||||
| 641 | G | 25.5 | Very low | 26.1 | Very low | 69 Ų | 69 | 144.4 Ų | 144.4 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | cis | 145.5 | 93.8 | 21 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 642 | R | 22.3 | Very low | 26.1 | Very low | 236 Ų | 236 | 144.2 Ų | 144.2 | 89% | 0.891 | 80% | 0.802 | S | S | * | * | trans | 41.7 | 110.8 | 142.5 | -155.2 | -177.7 | -141.8 | -152.8 | 5 | 118.4 | ||||
| 643 | Q | 26.7 | Very low | 26.1 | Very low | 197 Ų | 197 | 148.1 Ų | 148.1 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | -157.3 | 121.7 | 126.6 | -110.4 | 173.5 | 31.3 | 0 | 0 | 112.2 | |||||
| 644 | T | 22 | Very low | 26.3 | Very low | 126 Ų | 126 | 153.1 Ų | 153.1 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | trans | -80.2 | 129.7 | 174.7 | 43.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 645 | R | 26.9 | Very low | 26.5 | Very low | 251 Ų | 251 | 153.9 Ų | 153.9 | 95% | 0.947 | 82% | 0.816 | S | S | * | * | trans | -162.4 | 122 | 143 | -111.4 | 174.9 | -177.6 | -168.7 | 0 | 110.9 | ||||
| 646 | C | 23.2 | Very low | 26.6 | Very low | 123 Ų | 123 | 155.5 Ų | 155.5 | 83% | 0.831 | 82% | 0.821 | S | S | * | * | trans | -74.8 | -177.7 | 176.6 | -50.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 647 | P | 33.2 | Very low | 27.1 | Very low | 122 Ų | 122 | 155.8 Ų | 155.8 | 79% | 0.792 | 82% | 0.822 | S | S | * | * | -115.3 | 159.6 | -73.4 | 33.8 | -19.6 | 0 | 0 | 0 | 112.1 | |||||
| 648 | S | 24.4 | Very low | 27.4 | Very low | 113 Ų | 113 | 156.4 Ų | 156.4 | 79% | 0.79 | 82% | 0.824 | S | S | * | * | trans | -56.3 | 131.2 | 173.6 | 49.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 649 | S | 28.8 | Very low | 27.4 | Very low | 123 Ų | 123 | 156.1 Ų | 156.1 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | trans | -142.8 | 58.2 | 146.3 | 72 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 650 | S | 28.4 | Very low | 27.8 | Very low | 101 Ų | 101 | 156.6 Ų | 156.6 | 71% | 0.706 | 83% | 0.826 | S | S | * | * | trans | -105.4 | 90.6 | 162.8 | 57.4 | 0 | 0 | 0 | 0 | 107.2 | P652 | S650-P652 VanDerWaalsContact O-CD 3.27Å; S650-P652 WeakPolarHBondContact O-CD 3.1Å | ||
| 651 | S | 29.8 | Very low | 27.8 | Very low | 115 Ų | 115 | 150.3 Ų | 150.3 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | -62.2 | 117.2 | 165.5 | 37.8 | 0 | 0 | 0 | 0 | 107.8 | L653 | S651-L653 PolarHBondContact O-N 2.88Š| ||
| 652 | P | 30.2 | Very low | 27.8 | Very low | 117 Ų | 117 | 153.1 Ų | 153.1 | 76% | 0.76 | 82% | 0.819 | S | S | * | * | trans | -67.5 | 133.7 | 175.7 | -11.8 | 27.1 | 0 | 0 | 0 | 108.4 | S650 Q654 | S650-P652 VanDerWaalsContact O-CD 3.27Å; S650-P652 WeakPolarHBondContact O-CD 3.1Å; P652-Q654 PolarHBondContact O-N 2.95Å | ||
| 653 | L | 28.8 | Very low | 28.2 | Very low | 178 Ų | 178 | 153.1 Ų | 153.1 | 93% | 0.932 | 82% | 0.819 | S | S | * | * | trans | -37.8 | 100 | 170.6 | -73.7 | 153.6 | 0 | 0 | 0 | 110.7 | S651 R655 | S651-L653 PolarHBondContact O-N 2.88Å; L653-R655 PolarHBondContact O-N 2.97Å | ||
| 654 | Q | 29 | Very low | 28.4 | Very low | 184 Ų | 184 | 149.6 Ų | 149.6 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | -70.7 | 106.1 | 174 | -144.2 | 169.9 | 8.7 | 0 | 0 | 106.1 | P652 M656 | P652-Q654 PolarHBondContact O-N 2.95Å; Q654-M656 PolarHBondContact O-N 3.4Å | ||
| 655 | R | 27.4 | Very low | 28.7 | Very low | 214 Ų | 214 | 153.3 Ų | 153.3 | 81% | 0.808 | 82% | 0.819 | S | S | * | * | trans | -40.1 | 112.6 | 171.8 | -167.3 | 177.4 | -161.6 | 168.6 | 3.7 | 108.4 | L653 H657 | L653-R655 PolarHBondContact O-N 2.97Å; R655-H657 VanDerWaalsContact C-N 3.33Å; R655-H657 PolarHBondContact O-N 2.78Å | ||
| 656 | M | 28.6 | Very low | 28.8 | Very low | 181 Ų | 181 | 152.4 Ų | 152.4 | 89% | 0.892 | 82% | 0.816 | S | S | * | * | trans | -59.3 | 94.1 | -178.5 | -70.6 | 175.3 | 66.1 | 0 | 0 | 109.2 | Q654 L658 | Q654-M656 PolarHBondContact O-N 3.4Å; M656-L658 PolarHBondContact O-N 3.02Å | ||
| 657 | H | 30.8 | Very low | 29.3 | Very low | 164 Ų | 164 | 154.3 Ų | 154.3 | 76% | 0.759 | 82% | 0.816 | S | S | * | * | trans | -73 | 113.3 | 165 | -85.4 | -72.9 | 0 | 0 | 0 | 107.1 | R655 M659 | R655-H657 VanDerWaalsContact C-N 3.33Å; R655-H657 PolarHBondContact O-N 2.78Å; H657-M659 PolarHBondContact O-N 2.98Å; H657-M659 VanDerWaalsContact O-N 3.12Å | ||
| 658 | L | 31.2 | Very low | 29.3 | Very low | 146 Ų | 146 | 155 Ų | 155 | 76% | 0.764 | 82% | 0.818 | S | S | * | * | trans | -45.3 | 118.4 | 166 | -72.2 | 160.4 | 0 | 0 | 0 | 108.1 | M656 P660 | M656-L658 PolarHBondContact O-N 3.02Å; L658-P660 WeakPolarHBondContact O-CD 3.27Å | ||
| 659 | M | 27.7 | Very low | 29.7 | Very low | 183 Ų | 183 | 152.3 Ų | 152.3 | 90% | 0.901 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 124.6 | 179.6 | -70.7 | -172.4 | 81.6 | 0 | 0 | 109 | H657 | H657-M659 PolarHBondContact O-N 2.98Å; H657-M659 VanDerWaalsContact O-N 3.12Å |
| 660 | P | 29.7 | Very low | 29.9 | Very low | 111 Ų | 111 | 153.2 Ų | 153.2 | 72% | 0.721 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 151 | 169.6 | 26.3 | -30.5 | 0 | 0 | 0 | 110.2 | L658 | L658-P660 WeakPolarHBondContact O-CD 3.27Š|
| 661 | P | 29 | Very low | 30.5 | Very low | 102 Ų | 102 | 153.7 Ų | 153.7 | 66% | 0.662 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 154.2 | -175.3 | 23.9 | -32.8 | 0 | 0 | 0 | 112.3 | R663 | P661-R663 PolarHBondContact O-N 2.99Š|
| 662 | P | 26.1 | Very low | 30.7 | Very low | 128 Ų | 128 | 156 Ų | 156 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 130 | -172.5 | 21.4 | -31.3 | 0 | 0 | 0 | 111.6 | ||
| 663 | R | 31.5 | Very low | 30.9 | Very low | 236 Ų | 236 | 158.8 Ų | 158.8 | 89% | 0.891 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 139.4 | 174.5 | -80.5 | -176.1 | -177.5 | -171.4 | 0.4 | 110.1 | P661 K665 | P661-R663 PolarHBondContact O-N 2.99Å; R663-K665 PolarHBondContact O-N 3.06Å |
| 664 | P | 29 | Very low | 31 | Very low | 123 Ų | 123 | 154.5 Ų | 154.5 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 135.8 | 173.3 | -21.1 | 30.4 | 0 | 0 | 0 | 110.8 | R666 | P664-R666 PolarHBondContact O-N 2.55Š|
| 665 | K | 30.2 | Very low | 31 | Very low | 204 Ų | 204 | 153.7 Ų | 153.7 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 116.5 | 174.3 | -71.5 | -177.5 | 179 | 179.1 | 0 | 108.3 | R663 I667 | R663-K665 PolarHBondContact O-N 3.06Å; K665-I667 PolarHBondContact O-N 3.24Å |
| 666 | R | 28.5 | Very low | 31.4 | Very low | 232 Ų | 232 | 153.4 Ų | 153.4 | 88% | 0.875 | 83% | 0.829 | S | S | * | * | trans | -58.2 | 110.2 | 170.8 | -123.1 | 179.8 | -178.9 | -179.1 | -1.1 | 106.7 | P664 T668 | P664-R666 PolarHBondContact O-N 2.55Å; R666-T668 VanDerWaalsContact C-N 3.33Å; R666-T668 PolarHBondContact O-N 3.1Å | ||
| 667 | I | 33.5 | Very low | 31.5 | Very low | 164 Ų | 164 | 152.1 Ų | 152.1 | 84% | 0.841 | 83% | 0.826 | S | S | * | * | trans | -63.6 | 101.9 | 166.9 | -63.2 | 172.6 | 0 | 0 | 0 | 105.2 | K665 G669 | K665-I667 PolarHBondContact O-N 3.24Å; I667-G669 PolarHBondContact O-N 3.34Å | ||
| 668 | T | 32.4 | Very low | 31.6 | Very low | 135 Ų | 135 | 151.4 Ų | 151.4 | 83% | 0.828 | 83% | 0.829 | S | S | * | * | trans | -74.6 | 74.7 | 168.8 | 50.2 | 0 | 0 | 0 | 0 | 107.6 | R666 | R666-T668 VanDerWaalsContact C-N 3.33Å; R666-T668 PolarHBondContact O-N 3.1Å | ||
| 669 | G | 33.7 | Very low | 31.6 | Very low | 58 Ų | 58 | 151.7 Ų | 151.7 | 60% | 0.598 | 83% | 0.833 | S | S | * | * | trans | -81.3 | 111.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | I667 | I667-G669 PolarHBondContact O-N 3.34Š| ||
| 670 | N | 33.3 | Very low | 31.8 | Very low | 141 Ų | 141 | 149.9 Ų | 149.9 | 75% | 0.754 | 83% | 0.829 | S | S | * | * | trans | -59.1 | 123.3 | -180 | -163 | 3.4 | 0 | 0 | 0 | 110.7 | H672 | N670-H672 VanDerWaalsContact C-N 3.3Å; N670-H672 PolarHBondContact O-N 3.32Å | ||
| 671 | P | 41.1 | Very low | 31.9 | Very low | 111 Ų | 111 | 152.3 Ų | 152.3 | 72% | 0.721 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -84.5 | 71.9 | -177 | 34.1 | -33.1 | 0 | 0 | 0 | 110.5 | ||
| 672 | H | 32.7 | Very low | 32.1 | Very low | 164 Ų | 164 | 155.7 Ų | 155.7 | 76% | 0.759 | 85% | 0.847 | S | S | * | * | trans | -153.9 | 83.8 | 164.3 | -87 | -66.5 | 0 | 0 | 0 | 109.8 | N670 | N670-H672 VanDerWaalsContact C-N 3.3Å; N670-H672 PolarHBondContact O-N 3.32Å | ||
| 673 | L | 35.3 | Very low | 32.6 | Very low | 176 Ų | 176 | 157.6 Ų | 157.6 | 92% | 0.921 | 85% | 0.849 | S | S | * | * | trans | -161.3 | 72.8 | 150.3 | -103 | 143.4 | 0 | 0 | 0 | 107.4 | ||||
| 674 | A | 30.4 | Very low | 32.7 | Very low | 87 Ų | 87 | 151.6 Ų | 151.6 | 72% | 0.719 | 85% | 0.845 | S | S | * | * | trans | -88.3 | 144.8 | 151.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 675 | L | 29.9 | Very low | 33 | Very low | 167 Ų | 167 | 154 Ų | 154 | 87% | 0.874 | 85% | 0.849 | S | S | * | * | trans | 88.9 | 86.6 | 169.8 | -56.4 | 158.8 | 0 | 0 | 0 | 116.8 | ||||
| 676 | C | 34.8 | Very low | 33.2 | Very low | 209 Ų | 209 | 149.5 Ų | 149.5 | 100% | 1.412 | 85% | 0.846 | S | S | * | * | -163.7 | 0 | 109.1 | -96.7 | 0 | 0 | 0 | 0 | 109 |
Retrieved 676 of 676 residues in 372.2 ms
(Link to these results)