| 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 | 82.9 | Confident | 92.6 | Very high | 196 Ų | 196 | 78.2 Ų | 78.2 | 97% | 0.966 | 43% | 0.431 | S | S | * | . | 0 | 148.4 | 0 | -75.7 | -175.5 | -172.7 | 0 | 0 | 109.2 | |||||
| 2 | N | 90.7 | Very high | 92.9 | Very high | 120 Ų | 120 | 74.7 Ų | 74.7 | 64% | 0.642 | 41% | 0.408 | S | S | * | . | trans | -89 | 152.8 | 175.8 | -62.8 | -17.9 | 0 | 0 | 0 | 110 | T9 | N2-T9 HydrophobicContact CB-CG2 4.41Š| ||
| 3 | S | 92.3 | Very high | 93.1 | Very high | 15 Ų | 15 | 77.8 Ų | 77.8 | 11% | 0.105 | 41% | 0.41 | C | S | . | . | trans | -84.1 | 164 | 173.7 | -174.5 | 0 | 0 | 0 | 0 | 110.9 | G5 T9 V48 | S3-G5 VanDerWaalsContact C-N 3.25Å; S3-G5 WeakPolarHBondContact CB-O 3.3Å; S3-G5 PolarHBondContact O-N 2.89Å; S3-T9 PolarHBondContact N-OG1 3.36Å; S3-V48 WeakPolarHBondContact OG-CG2 3.39Å | ||
| 4 | V | 92.8 | Very high | 93.3 | Very high | 50 Ų | 50 | 80.4 Ų | 80.4 | 30% | 0.303 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -61.2 | -35.7 | 174.8 | 65.9 | 0 | 0 | 0 | 0 | 112 | V48 A51 I52 K55 I57 | V4-V48 HydrophobicContact CG1-CG1 3.98Å; V4-A51 HydrophobicContact CG1-CB 4.28Å; V4-I52 HydrophobicContact CG1-CG1 4.1Å; V4-K55 HydrophobicContact CG2-CD 4Å; V4-K55 WeakPolarHBondContact O-CE 3.34Å; V4-K55 PolarHBondContact O-NZ 3.46Å; V4-I57 HydrophobicContact CG2-CD1 3.61Å |
| 5 | G | 92.1 | Very high | 93.5 | Very high | 9 Ų | 9 | 77 Ų | 77 | 9% | 0.093 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -97.1 | 121.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | S3 A7 C8 | S3-G5 VanDerWaalsContact C-N 3.25Å; S3-G5 WeakPolarHBondContact CB-O 3.3Å; S3-G5 PolarHBondContact O-N 2.89Å; G5-A7 PolarHBondContact O-N 2.86Å; G5-C8 WeakPolarHBondContact O-CA 3.4Å; G5-C8 WeakPolarHBondContact O-CB 2.88Å; G5-C8 PolarHBondContact O-N 3Å |
| 6 | E | 93.3 | Very high | 93.7 | Very high | 169 Ų | 169 | 75.1 Ų | 75.1 | 79% | 0.79 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -57 | -41.9 | -178.3 | -70.5 | -175.3 | 172.3 | 0 | 0 | 111.6 | C8 T9 | E6-C8 PolarHBondContact O-N 3.12Å; E6-C8 VanDerWaalsContact O-N 3.11Å; E6-T9 VanDerWaalsContact O-CB 3.25Å; E6-T9 WeakPolarHBondContact O-CB 3.4Å; E6-T9 PolarHBondContact O-N 3.12Å; E6-T9 PolarHBondContact O-OG1 3.34Å |
| 7 | A | 93.2 | Very high | 93.8 | Very high | 86 Ų | 86 | 79.3 Ų | 79.3 | 71% | 0.711 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -59.9 | -20.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | G5 | G5-A7 PolarHBondContact O-N 2.86Š|
| 8 | C | 95.5 | Very high | 94 | Very high | 3 Ų | 3 | 76.8 Ų | 76.8 | 2% | 0.02 | 40% | 0.397 | C | S | . | . | G | 310 helix | trans | -92.3 | -1.8 | 179.7 | -43.9 | 0 | 0 | 0 | 0 | 112.6 | G5 E6 D10 M11 K12 Y44 C47 V48 | G5-C8 WeakPolarHBondContact O-CA 3.4Å; G5-C8 WeakPolarHBondContact O-CB 2.88Å; G5-C8 PolarHBondContact O-N 3Å; E6-C8 PolarHBondContact O-N 3.12Å; E6-C8 VanDerWaalsContact O-N 3.11Å; C8-D10 PolarHBondContact O-N 3.19Å; C8-M11 PolarHBondContact O-N 2.96Å; C8-K12 WeakPolarHBondContact O-CB 3.37Å; C8-K12 PolarHBondContact O-N 3.17Å; C8-Y44 HydrophobicContact CB-CD2 4.45Å; C8-Y44 HydrophobicContact CB-CE2 4.44Å; C8-C47 WeakPolarHBondContact CA-SG 3.34Å; C8-C47 HydrophobicContact CB-CB 3.87Å; C8-C47 WeakPolarHBondContact CB-SG 3.24Å; C8-C47 WeakPolarHBondContact SG-CB 3.36Å; C8-C47 PolarHBondContact SG-O 3.21Å; C8-C47 VanDerWaalsContact SG-O 3.37Å; C8-C47 CovalentContact SG-SG 2.04Å; C8-C47 PolarHBondContact SG-SG 2.59Å; C8-V48 HydrophobicContact CB-CG2 3.97Å |
| 9 | T | 95.8 | Very high | 94.1 | Very high | 14 Ų | 14 | 75.9 Ų | 75.9 | 9% | 0.086 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65.4 | -40.6 | -173 | -63.6 | 0 | 0 | 0 | 0 | 112.5 | N2 S3 E6 K12 R13 | N2-T9 HydrophobicContact CB-CG2 4.41Å; S3-T9 PolarHBondContact N-OG1 3.36Å; E6-T9 VanDerWaalsContact O-CB 3.25Å; E6-T9 WeakPolarHBondContact O-CB 3.4Å; E6-T9 PolarHBondContact O-N 3.12Å; E6-T9 PolarHBondContact O-OG1 3.34Å; T9-K12 WeakPolarHBondContact O-CB 3.41Å; T9-K12 PolarHBondContact O-N 2.85Å; T9-R13 WeakPolarHBondContact O-CG 3.45Å; T9-R13 PolarHBondContact O-N 3.04Å; T9-R13 VanDerWaalsContact O-N 3.13Å |
| 10 | D | 95.2 | Very high | 94.1 | Very high | 117 Ų | 117 | 77.1 Ų | 77.1 | 63% | 0.626 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -71.5 | -42.9 | 179.4 | -65.4 | -32.7 | 0 | 0 | 0 | 111.3 | C8 K12 R13 E14 | C8-D10 PolarHBondContact O-N 3.19Å; D10-K12 VanDerWaalsContact C-N 3.27Å; D10-K12 PolarHBondContact O-N 3.02Å; D10-R13 PolarHBondContact O-N 3.21Å; D10-R13 VanDerWaalsContact O-N 3.11Å; D10-E14 PolarHBondContact O-N 2.85Å; D10-E14 VanDerWaalsContact O-N 3.12Å |
| 11 | M | 94.7 | Very high | 94.2 | Very high | 81 Ų | 81 | 81.3 Ų | 81.3 | 40% | 0.399 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.7 | -38.6 | 174 | -60.6 | -179.1 | -167.1 | 0 | 0 | 111.9 | C8 Y15 Y44 C47 | C8-M11 PolarHBondContact O-N 2.96Å; M11-Y15 WeakPolarHBondContact O-CB 3.36Å; M11-Y15 PolarHBondContact O-N 3.1Å; M11-Y44 HydrophobicContact CB-CD2 4.32Å; M11-C47 HydrophobicContact SD-CB 4.12Å |
| 12 | K | 96 | Very high | 94.7 | Very high | 36 Ų | 36 | 73.9 Ų | 73.9 | 16% | 0.157 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.2 | -48.5 | 174.3 | 179.3 | 169.7 | 173 | 45.6 | 0 | 111.3 | C8 T9 D10 E14 Y15 D16 Y44 | C8-K12 WeakPolarHBondContact O-CB 3.37Å; C8-K12 PolarHBondContact O-N 3.17Å; T9-K12 WeakPolarHBondContact O-CB 3.41Å; T9-K12 PolarHBondContact O-N 2.85Å; D10-K12 VanDerWaalsContact C-N 3.27Å; D10-K12 PolarHBondContact O-N 3.02Å; K12-E14 VanDerWaalsContact C-N 3.34Å; K12-E14 PolarHBondContact O-N 3.11Å; K12-Y15 PolarHBondContact O-N 3.22Å; K12-D16 VanDerWaalsContact CE-OD2 3.25Å; K12-D16 WeakPolarHBondContact CE-OD2 3.26Å; K12-D16 WeakPolarHBondContact CG-OD2 3.41Å; K12-D16 VanDerWaalsContact NZ-CG 3.29Å; K12-D16 IonicContact NZ-OD1 2.72Å; K12-D16 PolarHBondContact NZ-OD1 3.36Å; K12-D16 IonicContact NZ-OD2 3.85Å; K12-D16 PolarHBondContact NZ-OD2 3.07Å; K12-D16 VanDerWaalsContact O-CB 3.29Å; K12-D16 WeakPolarHBondContact O-CB 3.45Å; K12-D16 PolarHBondContact O-N 3.18Å; K12-Y44 HydrophobicContact CB-CD2 3.91Å; K12-Y44 HydrophobicContact CB-CE2 3.45Å; K12-Y44 VanDerWaalsContact CB-CE2 3.45Å; K12-Y44 HydrophobicContact CD-CE2 4.28Å; K12-Y44 HydrophobicContact CG-CE2 3.93Å |
| 13 | R | 95.9 | Very high | 94.9 | Very high | 116 Ų | 116 | 71.5 Ų | 71.5 | 44% | 0.438 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.1 | -43.4 | -176.5 | -72.6 | 170.3 | -177.6 | -175.7 | 1.1 | 111.4 | T9 D10 Q17 | T9-R13 WeakPolarHBondContact O-CG 3.45Å; T9-R13 PolarHBondContact O-N 3.04Å; T9-R13 VanDerWaalsContact O-N 3.13Å; D10-R13 PolarHBondContact O-N 3.21Å; D10-R13 VanDerWaalsContact O-N 3.11Å; R13-Q17 WeakPolarHBondContact O-CB 3.43Å; R13-Q17 WeakPolarHBondContact O-CG 3.44Å; R13-Q17 PolarHBondContact O-N 2.83Å; R13-Q17 VanDerWaalsContact O-N 3.08Å |
| 14 | E | 95.3 | Very high | 95 | Very high | 113 Ų | 113 | 73.3 Ų | 73.3 | 53% | 0.528 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.3 | -47.2 | 178.3 | -167.6 | 177.3 | -162.3 | 0 | 0 | 111.6 | D10 K12 Q17 C18 L40 | D10-E14 PolarHBondContact O-N 2.85Å; D10-E14 VanDerWaalsContact O-N 3.12Å; K12-E14 VanDerWaalsContact C-N 3.34Å; K12-E14 PolarHBondContact O-N 3.11Å; E14-Q17 PolarHBondContact O-N 3.4Å; E14-C18 PolarHBondContact O-N 3.08Å; E14-C18 VanDerWaalsContact O-N 3.1Å; E14-L40 HydrophobicContact CG-CD1 4.12Å; E14-L40 HydrophobicContact CG-CD2 3.99Å |
| 15 | Y | 96.8 | Very high | 95 | Very high | 30 Ų | 30 | 75.3 Ų | 75.3 | 12% | 0.118 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.5 | -48.8 | 175.3 | 167.9 | -103.3 | 0 | 0 | 0 | 112.3 | M11 K12 Q17 C18 F19 C37 L40 F41 Y44 | M11-Y15 WeakPolarHBondContact O-CB 3.36Å; M11-Y15 PolarHBondContact O-N 3.1Å; K12-Y15 PolarHBondContact O-N 3.22Å; Y15-Q17 VanDerWaalsContact C-N 3.29Å; Y15-Q17 PolarHBondContact O-N 3.36Å; Y15-C18 PolarHBondContact O-N 3.33Å; Y15-C18 VanDerWaalsContact O-N 3.17Å; Y15-F19 HydrophobicContact CE1-CB 4.42Å; Y15-F19 HydrophobicContact CE2-CB 4.21Å; Y15-F19 WeakPolarHBondContact O-CB 3.27Å; Y15-F19 PolarHBondContact O-N 3.36Å; Y15-C37 HydrophobicContact CD2-CB 4.29Å; Y15-C37 HydrophobicContact CE2-CB 4.27Å; Y15-L40 HydrophobicContact CD2-CB 4.43Å; Y15-F41 HydrophobicContact CD1-CD2 4.4Å; Y15-F41 HydrophobicContact CD2-CB 3.75Å; Y15-F41 HydrophobicContact CD2-CD2 4.06Å; Y15-F41 HydrophobicContact CD2-CG 4.38Å; Y15-F41 AromaticContact CE1-CD2 3.88Å; Y15-F41 HydrophobicContact CE1-CD2 3.88Å; Y15-F41 HydrophobicContact CE1-CE2 4.36Å; Y15-F41 HydrophobicContact CE2-CB 3.53Å; Y15-F41 AromaticContact CE2-CD2 3.51Å; Y15-F41 HydrophobicContact CE2-CD2 3.51Å; Y15-F41 AromaticContact CE2-CG 3.84Å; Y15-F41 HydrophobicContact CE2-CG 3.84Å; Y15-F41 HydrophobicContact CG-CD2 4.47Å; Y15-F41 AromaticContact CZ-CD2 3.39Å; Y15-Y44 AromaticContact CD1-CD1 3.95Å; Y15-Y44 HydrophobicContact CD1-CD1 3.95Å; Y15-Y44 HydrophobicContact CD1-CE1 4.25Å; Y15-Y44 HydrophobicContact CG-CD1 4.34Å |
| 16 | D | 96.2 | Very high | 95 | Very high | 47 Ų | 47 | 78.7 Ų | 78.7 | 25% | 0.251 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.7 | -40.9 | -177.9 | -73.6 | -10.5 | 0 | 0 | 0 | 111 | K12 N20 | K12-D16 VanDerWaalsContact CE-OD2 3.25Å; K12-D16 WeakPolarHBondContact CE-OD2 3.26Å; K12-D16 WeakPolarHBondContact CG-OD2 3.41Å; K12-D16 VanDerWaalsContact NZ-CG 3.29Å; K12-D16 IonicContact NZ-OD1 2.72Å; K12-D16 PolarHBondContact NZ-OD1 3.36Å; K12-D16 IonicContact NZ-OD2 3.85Å; K12-D16 PolarHBondContact NZ-OD2 3.07Å; K12-D16 VanDerWaalsContact O-CB 3.29Å; K12-D16 WeakPolarHBondContact O-CB 3.45Å; K12-D16 PolarHBondContact O-N 3.18Å; D16-N20 VanDerWaalsContact O-CB 3.31Å; D16-N20 WeakPolarHBondContact O-CB 3.49Å; D16-N20 PolarHBondContact O-N 3.45Å; D16-N20 PolarHBondContact O-ND2 3.17Å; D16-N20 VanDerWaalsContact O-ND2 3.12Å |
| 17 | Q | 96.3 | Very high | 95 | Very high | 146 Ų | 146 | 76.1 Ų | 76.1 | 68% | 0.682 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -65.1 | -45.2 | 176.3 | -75.7 | 178.9 | 0.8 | 0 | 0 | 112.1 | R13 E14 Y15 R21 | R13-Q17 WeakPolarHBondContact O-CB 3.43Å; R13-Q17 WeakPolarHBondContact O-CG 3.44Å; R13-Q17 PolarHBondContact O-N 2.83Å; R13-Q17 VanDerWaalsContact O-N 3.08Å; E14-Q17 PolarHBondContact O-N 3.4Å; Y15-Q17 VanDerWaalsContact C-N 3.29Å; Y15-Q17 PolarHBondContact O-N 3.36Å; Q17-R21 PolarHBondContact O-N 3.43Å |
| 18 | C | 96.3 | Very high | 95 | Very high | 35 Ų | 35 | 77.3 Ų | 77.3 | 24% | 0.236 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59.7 | -50.3 | 175.8 | -174.5 | 0 | 0 | 0 | 0 | 111 | E14 Y15 N20 R21 W22 C37 L40 | E14-C18 PolarHBondContact O-N 3.08Å; E14-C18 VanDerWaalsContact O-N 3.1Å; Y15-C18 PolarHBondContact O-N 3.33Å; Y15-C18 VanDerWaalsContact O-N 3.17Å; C18-N20 PolarHBondContact O-N 3.12Å; C18-R21 PolarHBondContact O-N 3.21Å; C18-W22 PolarHBondContact O-N 3.3Å; C18-C37 HydrophobicContact CB-CB 3.88Å; C18-C37 WeakPolarHBondContact CB-SG 3.49Å; C18-C37 PolarHBondContact O-SG 2.91Å; C18-C37 VanDerWaalsContact O-SG 3.39Å; C18-C37 VanDerWaalsContact SG-CA 3.55Å; C18-C37 WeakPolarHBondContact SG-CB 3.27Å; C18-C37 CovalentContact SG-SG 2.04Å; C18-C37 PolarHBondContact SG-SG 3.08Å; C18-L40 HydrophobicContact CB-CD1 3.86Å |
| 19 | F | 95.7 | Very high | 94.9 | Very high | 60 Ų | 60 | 84.6 Ų | 84.6 | 26% | 0.263 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.3 | -46.9 | -178.9 | 176.1 | -93.5 | 0 | 0 | 0 | 111.4 | Y15 R21 W22 F23 C37 | Y15-F19 HydrophobicContact CE1-CB 4.42Å; Y15-F19 HydrophobicContact CE2-CB 4.21Å; Y15-F19 WeakPolarHBondContact O-CB 3.27Å; Y15-F19 PolarHBondContact O-N 3.36Å; F19-R21 VanDerWaalsContact C-N 3.27Å; F19-R21 PolarHBondContact O-N 3.5Å; F19-W22 AromaticContact CD2-CE3 3.97Å; F19-W22 HydrophobicContact CD2-CE3 3.97Å; F19-W22 HydrophobicContact CD2-CZ3 4.07Å; F19-W22 AromaticContact CE2-CE3 3.97Å; F19-W22 HydrophobicContact CE2-CE3 3.97Å; F19-W22 AromaticContact CE2-CZ3 3.64Å; F19-W22 HydrophobicContact CE2-CZ3 3.64Å; F19-W22 HydrophobicContact CZ-CZ3 4.4Å; F19-W22 PolarHBondContact O-N 2.94Å; F19-F23 HydrophobicContact CD1-CB 4.43Å; F19-F23 HydrophobicContact CE1-CB 4.09Å; F19-F23 HydrophobicContact CE1-CD2 4.36Å; F19-F23 HydrophobicContact CE1-CG 4.2Å; F19-F23 HydrophobicContact CZ-CB 4.27Å; F19-F23 AromaticContact CZ-CD2 3.97Å; F19-F23 HydrophobicContact CZ-CD2 3.97Å; F19-F23 HydrophobicContact CZ-CG 4.26Å; F19-F23 WeakPolarHBondContact O-CB 3.44Å; F19-F23 PolarHBondContact O-N 3.42Å; F19-C37 PolarHBondContact N-SG 3.28Å |
| 20 | N | 95.4 | Very high | 94.7 | Very high | 99 Ų | 99 | 87.3 Ų | 87.3 | 53% | 0.529 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.3 | -39.4 | -179.4 | -74.2 | -23.7 | 0 | 0 | 0 | 112.1 | D16 C18 A24 | D16-N20 VanDerWaalsContact O-CB 3.31Å; D16-N20 WeakPolarHBondContact O-CB 3.49Å; D16-N20 PolarHBondContact O-N 3.45Å; D16-N20 PolarHBondContact O-ND2 3.17Å; D16-N20 VanDerWaalsContact O-ND2 3.12Å; C18-N20 PolarHBondContact O-N 3.12Å; N20-A24 WeakPolarHBondContact O-CB 3.06Å; N20-A24 PolarHBondContact O-N 2.78Å; N20-A24 VanDerWaalsContact O-N 3.07Å |
| 21 | R | 95 | Very high | 94.2 | Very high | 165 Ų | 165 | 84.7 Ų | 84.7 | 62% | 0.623 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -66.1 | -51.2 | 176 | -174.7 | 179.2 | 179.2 | 177.9 | 1.5 | 111.3 | Q17 C18 F19 F23 A24 E25 | Q17-R21 PolarHBondContact O-N 3.43Å; C18-R21 PolarHBondContact O-N 3.21Å; F19-R21 VanDerWaalsContact C-N 3.27Å; F19-R21 PolarHBondContact O-N 3.5Å; R21-F23 VanDerWaalsContact C-N 3.32Å; R21-F23 PolarHBondContact O-N 3.07Å; R21-A24 PolarHBondContact O-N 3.47Å; R21-E25 HydrophobicContact CG-CG 4.33Å; R21-E25 IonicContact CZ-OE2 2.81Å; R21-E25 IonicContact NE-OE1 3.62Å; R21-E25 IonicContact NE-OE2 3.15Å; R21-E25 PolarHBondContact NE-OE2 2.98Å; R21-E25 VanDerWaalsContact NE-OE2 3.15Å; R21-E25 IonicContact NH2-OE2 3.99Å; R21-E25 VanDerWaalsContact O-CB 3.27Å; R21-E25 WeakPolarHBondContact O-CB 3.42Å; R21-E25 WeakPolarHBondContact O-CG 3.07Å; R21-E25 PolarHBondContact O-N 2.04Å |
| 22 | W | 94.8 | Very high | 93.5 | Very high | 40 Ų | 40 | 84.3 Ų | 84.3 | 15% | 0.152 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -59.2 | -44.3 | 177.7 | 168.4 | 80.9 | 0 | 0 | 0 | 111.5 | C18 F19 A24 K26 F27 D35 P36 | C18-W22 PolarHBondContact O-N 3.3Å; F19-W22 AromaticContact CD2-CE3 3.97Å; F19-W22 HydrophobicContact CD2-CE3 3.97Å; F19-W22 HydrophobicContact CD2-CZ3 4.07Å; F19-W22 AromaticContact CE2-CE3 3.97Å; F19-W22 HydrophobicContact CE2-CE3 3.97Å; F19-W22 AromaticContact CE2-CZ3 3.64Å; F19-W22 HydrophobicContact CE2-CZ3 3.64Å; F19-W22 HydrophobicContact CZ-CZ3 4.4Å; F19-W22 PolarHBondContact O-N 2.94Å; W22-A24 PolarHBondContact O-N 3.37Å; W22-K26 HydrophobicContact CG-CB 4.48Å; W22-K26 WeakPolarHBondContact O-CA 3.34Å; W22-K26 VanDerWaalsContact O-CB 3.23Å; W22-K26 WeakPolarHBondContact O-CB 3.38Å; W22-K26 PolarHBondContact O-N 3.47Å; W22-F27 HydrophobicContact CE3-CB 4.48Å; W22-F27 HydrophobicContact CH2-CB 3.95Å; W22-F27 AromaticContact CH2-CD2 3.68Å; W22-F27 HydrophobicContact CH2-CD2 3.68Å; W22-F27 HydrophobicContact CH2-CG 4.01Å; W22-F27 HydrophobicContact CZ2-CB 4.06Å; W22-F27 HydrophobicContact CZ2-CD2 4Å; W22-F27 HydrophobicContact CZ2-CG 4.42Å; W22-F27 HydrophobicContact CZ3-CB 4.15Å; W22-F27 HydrophobicContact CZ3-CD2 4.48Å; W22-F27 HydrophobicContact CZ3-CG 4.41Å; W22-F27 PolarHBondContact O-N 2.75Å; W22-D35 HydrophobicContact CZ2-CB 4.17Å; W22-P36 HydrophobicContact CB-CG 4.47Å |
| 23 | F | 94.7 | Very high | 92.5 | Very high | 70 Ų | 70 | 85.1 Ų | 85.1 | 31% | 0.307 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.1 | -48 | -179.2 | -174.2 | -106.1 | 0 | 0 | 0 | 111.7 | F19 R21 F27 L28 | F19-F23 HydrophobicContact CD1-CB 4.43Å; F19-F23 HydrophobicContact CE1-CB 4.09Å; F19-F23 HydrophobicContact CE1-CD2 4.36Å; F19-F23 HydrophobicContact CE1-CG 4.2Å; F19-F23 HydrophobicContact CZ-CB 4.27Å; F19-F23 AromaticContact CZ-CD2 3.97Å; F19-F23 HydrophobicContact CZ-CD2 3.97Å; F19-F23 HydrophobicContact CZ-CG 4.26Å; F19-F23 WeakPolarHBondContact O-CB 3.44Å; F19-F23 PolarHBondContact O-N 3.42Å; R21-F23 VanDerWaalsContact C-N 3.32Å; R21-F23 PolarHBondContact O-N 3.07Å; F23-F27 HydrophobicContact CD2-CB 4.13Å; F23-F27 AromaticContact CD2-CD1 3.64Å; F23-F27 HydrophobicContact CD2-CD1 3.64Å; F23-F27 HydrophobicContact CD2-CE1 4.42Å; F23-F27 HydrophobicContact CD2-CG 4.12Å; F23-F27 AromaticContact CE2-CD1 3.4Å; F23-F27 HydrophobicContact CE2-CD1 3.4Å; F23-F27 VanDerWaalsContact CE2-CD1 3.4Å; F23-F27 AromaticContact CE2-CE1 3.81Å; F23-F27 HydrophobicContact CE2-CE1 3.81Å; F23-F27 HydrophobicContact CE2-CG 4.31Å; F23-F27 HydrophobicContact CZ-CD1 4.37Å; F23-L28 HydrophobicContact CD1-CD1 3.91Å; F23-L28 HydrophobicContact CD1-CG 4.1Å; F23-L28 HydrophobicContact CE1-CD1 3.61Å; F23-L28 HydrophobicContact CE1-CD2 4Å; F23-L28 HydrophobicContact CE1-CG 3.81Å; F23-L28 HydrophobicContact CE2-CD2 4.3Å; F23-L28 HydrophobicContact CE2-CG 4.42Å; F23-L28 HydrophobicContact CZ-CD1 4.24Å; F23-L28 HydrophobicContact CZ-CD2 3.75Å; F23-L28 HydrophobicContact CZ-CG 3.98Å; F23-L28 WeakPolarHBondContact O-CB 3.49Å; F23-L28 WeakPolarHBondContact O-CG 3.18Å; F23-L28 PolarHBondContact O-N 3.35Å |
| 24 | A | 94.3 | Very high | 91.7 | Very high | 54 Ų | 54 | 82.7 Ų | 82.7 | 45% | 0.446 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -73.4 | -37.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | N20 R21 W22 | N20-A24 WeakPolarHBondContact O-CB 3.06Å; N20-A24 PolarHBondContact O-N 2.78Å; N20-A24 VanDerWaalsContact O-N 3.07Å; R21-A24 PolarHBondContact O-N 3.47Å; W22-A24 PolarHBondContact O-N 3.37Å |
| 25 | E | 93 | Very high | 91.2 | Very high | 91 Ų | 91 | 79.4 Ų | 79.4 | 43% | 0.425 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -91 | -26.5 | -172.9 | -66.3 | -179.1 | 177.5 | 0 | 0 | 113.6 | R21 K29 | R21-E25 HydrophobicContact CG-CG 4.33Å; R21-E25 IonicContact CZ-OE2 2.81Å; R21-E25 IonicContact NE-OE1 3.62Å; R21-E25 IonicContact NE-OE2 3.15Å; R21-E25 PolarHBondContact NE-OE2 2.98Å; R21-E25 VanDerWaalsContact NE-OE2 3.15Å; R21-E25 IonicContact NH2-OE2 3.99Å; R21-E25 VanDerWaalsContact O-CB 3.27Å; R21-E25 WeakPolarHBondContact O-CB 3.42Å; R21-E25 WeakPolarHBondContact O-CG 3.07Å; R21-E25 PolarHBondContact O-N 2.04Å; E25-K29 VanDerWaalsContact O-CD 3.3Å; E25-K29 WeakPolarHBondContact O-CD 3.46Å |
| 26 | K | 92.4 | Very high | 90.9 | Very high | 81 Ų | 81 | 82.6 Ų | 82.6 | 35% | 0.352 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.2 | -67.7 | -172.5 | -59.3 | -60.8 | -159.8 | 162.7 | 0 | 111.7 | W22 L28 K29 G30 D31 | W22-K26 HydrophobicContact CG-CB 4.48Å; W22-K26 WeakPolarHBondContact O-CA 3.34Å; W22-K26 VanDerWaalsContact O-CB 3.23Å; W22-K26 WeakPolarHBondContact O-CB 3.38Å; W22-K26 PolarHBondContact O-N 3.47Å; K26-L28 PolarHBondContact O-N 2.77Å; K26-K29 PolarHBondContact O-N 3.4Å; K26-G30 PolarHBondContact O-N 3.17Å; K26-D31 CarbonylContact C-O 3.51Å; K26-D31 HydrophobicContact CB-CB 4.33Å; K26-D31 HydrophobicContact CD-CB 4.18Å; K26-D31 WeakPolarHBondContact CD-OD2 3.5Å; K26-D31 IonicContact NZ-OD2 3.03Å; K26-D31 PolarHBondContact NZ-OD2 3.29Å; K26-D31 PolarHBondContact O-N 3.25Å |
| 27 | F | 93.1 | Very high | 90.8 | Very high | 114 Ų | 114 | 80.3 Ų | 80.3 | 50% | 0.5 | 45% | 0.452 | S | S | . | . | G | 310 helix | trans | -58.4 | -51.3 | -171.4 | -175.4 | -96.5 | 0 | 0 | 0 | 112.2 | W22 F23 K29 G30 | W22-F27 HydrophobicContact CE3-CB 4.48Å; W22-F27 HydrophobicContact CH2-CB 3.95Å; W22-F27 AromaticContact CH2-CD2 3.68Å; W22-F27 HydrophobicContact CH2-CD2 3.68Å; W22-F27 HydrophobicContact CH2-CG 4.01Å; W22-F27 HydrophobicContact CZ2-CB 4.06Å; W22-F27 HydrophobicContact CZ2-CD2 4Å; W22-F27 HydrophobicContact CZ2-CG 4.42Å; W22-F27 HydrophobicContact CZ3-CB 4.15Å; W22-F27 HydrophobicContact CZ3-CD2 4.48Å; W22-F27 HydrophobicContact CZ3-CG 4.41Å; W22-F27 PolarHBondContact O-N 2.75Å; F23-F27 HydrophobicContact CD2-CB 4.13Å; F23-F27 AromaticContact CD2-CD1 3.64Å; F23-F27 HydrophobicContact CD2-CD1 3.64Å; F23-F27 HydrophobicContact CD2-CE1 4.42Å; F23-F27 HydrophobicContact CD2-CG 4.12Å; F23-F27 AromaticContact CE2-CD1 3.4Å; F23-F27 HydrophobicContact CE2-CD1 3.4Å; F23-F27 VanDerWaalsContact CE2-CD1 3.4Å; F23-F27 AromaticContact CE2-CE1 3.81Å; F23-F27 HydrophobicContact CE2-CE1 3.81Å; F23-F27 HydrophobicContact CE2-CG 4.31Å; F23-F27 HydrophobicContact CZ-CD1 4.37Å; F27-K29 PolarHBondContact O-N 2.87Å; F27-G30 PolarHBondContact O-N 3.39Å; F27-G30 VanDerWaalsContact O-N 3.08Å |
| 28 | L | 93.7 | Very high | 90.7 | Very high | 112 Ų | 112 | 76.1 Ų | 76.1 | 59% | 0.586 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -67.6 | -18.6 | 179.5 | -71.8 | -177.8 | 0 | 0 | 0 | 114.1 | F23 K26 G30 | F23-L28 HydrophobicContact CD1-CD1 3.91Å; F23-L28 HydrophobicContact CD1-CG 4.1Å; F23-L28 HydrophobicContact CE1-CD1 3.61Å; F23-L28 HydrophobicContact CE1-CD2 4Å; F23-L28 HydrophobicContact CE1-CG 3.81Å; F23-L28 HydrophobicContact CE2-CD2 4.3Å; F23-L28 HydrophobicContact CE2-CG 4.42Å; F23-L28 HydrophobicContact CZ-CD1 4.24Å; F23-L28 HydrophobicContact CZ-CD2 3.75Å; F23-L28 HydrophobicContact CZ-CG 3.98Å; F23-L28 WeakPolarHBondContact O-CB 3.49Å; F23-L28 WeakPolarHBondContact O-CG 3.18Å; F23-L28 PolarHBondContact O-N 3.35Å; K26-L28 PolarHBondContact O-N 2.77Å; L28-G30 VanDerWaalsContact C-N 3.3Å |
| 29 | K | 93.5 | Very high | 90.7 | Very high | 155 Ų | 155 | 79.7 Ų | 79.7 | 67% | 0.674 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -90 | 3.6 | 175.9 | -59.6 | -167.9 | -169.8 | 165.9 | 0 | 112.8 | E25 K26 F27 D31 | E25-K29 VanDerWaalsContact O-CD 3.3Å; E25-K29 WeakPolarHBondContact O-CD 3.46Å; K26-K29 PolarHBondContact O-N 3.4Å; F27-K29 PolarHBondContact O-N 2.87Å; K29-D31 VanDerWaalsContact C-N 3.3Å |
| 30 | G | 91.3 | Very high | 90.6 | Very high | 71 Ų | 71 | 78.9 Ų | 78.9 | 73% | 0.732 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.8 | 9.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | K26 F27 L28 G32 | K26-G30 PolarHBondContact O-N 3.17Å; F27-G30 PolarHBondContact O-N 3.39Å; F27-G30 VanDerWaalsContact O-N 3.08Å; L28-G30 VanDerWaalsContact C-N 3.3Å; G30-G32 PolarHBondContact O-N 3.02Å |
| 31 | D | 85 | Confident | 90.6 | Very high | 62 Ų | 62 | 77.6 Ų | 77.6 | 33% | 0.332 | 44% | 0.442 | S | S | . | . | trans | -82.7 | 100.8 | 173.1 | -172.1 | -8.3 | 0 | 0 | 0 | 108.6 | K26 K29 S33 | K26-D31 CarbonylContact C-O 3.51Å; K26-D31 HydrophobicContact CB-CB 4.33Å; K26-D31 HydrophobicContact CD-CB 4.18Å; K26-D31 WeakPolarHBondContact CD-OD2 3.5Å; K26-D31 IonicContact NZ-OD2 3.03Å; K26-D31 PolarHBondContact NZ-OD2 3.29Å; K26-D31 PolarHBondContact O-N 3.25Å; K29-D31 VanDerWaalsContact C-N 3.3Å; D31-S33 PolarHBondContact O-N 3.34Å; D31-S33 VanDerWaalsContact OD1-CB 3.24Å; D31-S33 WeakPolarHBondContact OD1-CB 3.25Å; D31-S33 PolarHBondContact OD1-N 2.9Å; D31-S33 PolarHBondContact OD1-OG 3.5Å; D31-S33 PolarHBondContact OD2-OG 2.97Å | ||
| 32 | G | 78.2 | Confident | 90.7 | Very high | 73 Ų | 73 | 75.2 Ų | 75.2 | 75% | 0.753 | 44% | 0.436 | S | S | * | . | trans | -80.6 | 15.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | G30 G34 | G30-G32 PolarHBondContact O-N 3.02Å; G32-G34 PolarHBondContact O-N 3.19Å | ||
| 33 | S | 74.9 | Confident | 90.7 | Very high | 53 Ų | 53 | 81.5 Ų | 81.5 | 37% | 0.371 | 46% | 0.459 | S | S | . | . | trans | -56.4 | 137.2 | 170.4 | 44.3 | 0 | 0 | 0 | 0 | 110 | D31 | D31-S33 PolarHBondContact O-N 3.34Å; D31-S33 VanDerWaalsContact OD1-CB 3.24Å; D31-S33 WeakPolarHBondContact OD1-CB 3.25Å; D31-S33 PolarHBondContact OD1-N 2.9Å; D31-S33 PolarHBondContact OD1-OG 3.5Å; D31-S33 PolarHBondContact OD2-OG 2.97Å | ||
| 34 | G | 80 | Confident | 90.8 | Very high | 66 Ų | 66 | 79.7 Ų | 79.7 | 68% | 0.68 | 45% | 0.451 | S | S | * | . | trans | -53.5 | 155.3 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | G32 P36 | G32-G34 PolarHBondContact O-N 3.19Å; G34-P36 VanDerWaalsContact O-CD 3.27Å; G34-P36 WeakPolarHBondContact O-CD 3.42Å | ||
| 35 | D | 84.5 | Confident | 90.8 | Very high | 44 Ų | 44 | 80.8 Ų | 80.8 | 24% | 0.235 | 45% | 0.447 | C | S | . | . | trans | -72 | 112.3 | -175.9 | -177.6 | 3.9 | 0 | 0 | 0 | 111.5 | W22 C37 T38 | W22-D35 HydrophobicContact CZ2-CB 4.17Å; D35-C37 PolarHBondContact O-N 3.01Å; D35-C37 WeakPolarHBondContact OD1-CA 3.25Å; D35-C37 WeakPolarHBondContact OD1-CB 3.45Å; D35-C37 PolarHBondContact OD1-N 3.11Å; D35-C37 PolarHBondContact OD1-SG 2.72Å; D35-C37 VanDerWaalsContact OD1-SG 3.4Å; D35-T38 PolarHBondContact O-N 3.03Å; D35-T38 PolarHBondContact O-OG1 3.5Å | ||
| 36 | P | 91.1 | Very high | 91 | Very high | 96 Ų | 96 | 82.9 Ų | 82.9 | 62% | 0.623 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -14.6 | 177.6 | 31.3 | -35.5 | 0 | 0 | 0 | 112.6 | W22 G34 T38 | W22-P36 HydrophobicContact CB-CG 4.47Å; G34-P36 VanDerWaalsContact O-CD 3.27Å; G34-P36 WeakPolarHBondContact O-CD 3.42Å; P36-T38 VanDerWaalsContact C-N 3.31Å; P36-T38 PolarHBondContact O-N 3.43Å |
| 37 | C | 94.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 80.4 Ų | 80.4 | 0% | 0 | 45% | 0.449 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 2.4 | -176.7 | -47.7 | 0 | 0 | 0 | 0 | 113 | Y15 C18 F19 D35 D39 L40 F41 | Y15-C37 HydrophobicContact CD2-CB 4.29Å; Y15-C37 HydrophobicContact CE2-CB 4.27Å; C18-C37 HydrophobicContact CB-CB 3.88Å; C18-C37 WeakPolarHBondContact CB-SG 3.49Å; C18-C37 PolarHBondContact O-SG 2.91Å; C18-C37 VanDerWaalsContact O-SG 3.39Å; C18-C37 VanDerWaalsContact SG-CA 3.55Å; C18-C37 WeakPolarHBondContact SG-CB 3.27Å; C18-C37 CovalentContact SG-SG 2.04Å; C18-C37 PolarHBondContact SG-SG 3.08Å; F19-C37 PolarHBondContact N-SG 3.28Å; D35-C37 PolarHBondContact O-N 3.01Å; D35-C37 WeakPolarHBondContact OD1-CA 3.25Å; D35-C37 WeakPolarHBondContact OD1-CB 3.45Å; D35-C37 PolarHBondContact OD1-N 3.11Å; D35-C37 PolarHBondContact OD1-SG 2.72Å; D35-C37 VanDerWaalsContact OD1-SG 3.4Å; C37-D39 VanDerWaalsContact C-N 3.31Å; C37-D39 PolarHBondContact O-N 3.39Å; C37-L40 WeakPolarHBondContact O-CB 3.07Å; C37-L40 PolarHBondContact O-N 2.82Å; C37-L40 VanDerWaalsContact O-N 3.17Å; C37-F41 WeakPolarHBondContact O-CB 3.49Å; C37-F41 PolarHBondContact O-N 3.49Å |
| 38 | T | 94.2 | Very high | 91.3 | Very high | 58 Ų | 58 | 75.9 Ų | 75.9 | 36% | 0.356 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -56.2 | -40.4 | -174.9 | -59.3 | 0 | 0 | 0 | 0 | 113.1 | D35 P36 F41 K42 | D35-T38 PolarHBondContact O-N 3.03Å; D35-T38 PolarHBondContact O-OG1 3.5Å; P36-T38 VanDerWaalsContact C-N 3.31Å; P36-T38 PolarHBondContact O-N 3.43Å; T38-F41 PolarHBondContact O-N 3.05Å; T38-K42 WeakPolarHBondContact O-CG 3.38Å; T38-K42 PolarHBondContact O-N 3.39Å |
| 39 | D | 94.8 | Very high | 91.4 | Very high | 109 Ų | 109 | 75.2 Ų | 75.2 | 58% | 0.583 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -72.8 | -36.6 | -179.1 | -71.7 | -27.5 | 0 | 0 | 0 | 112.6 | C37 F41 R43 | C37-D39 VanDerWaalsContact C-N 3.31Å; C37-D39 PolarHBondContact O-N 3.39Å; D39-F41 VanDerWaalsContact C-N 3.34Å; D39-R43 PolarHBondContact O-N 3.2Å |
| 40 | L | 94.8 | Very high | 91.5 | Very high | 44 Ų | 44 | 74.1 Ų | 74.1 | 23% | 0.23 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -63.8 | -44.1 | 171.5 | -67.5 | 173.4 | 0 | 0 | 0 | 110.3 | E14 Y15 C18 C37 K42 R43 Y44 | E14-L40 HydrophobicContact CG-CD1 4.12Å; E14-L40 HydrophobicContact CG-CD2 3.99Å; Y15-L40 HydrophobicContact CD2-CB 4.43Å; C18-L40 HydrophobicContact CB-CD1 3.86Å; C37-L40 WeakPolarHBondContact O-CB 3.07Å; C37-L40 PolarHBondContact O-N 2.82Å; C37-L40 VanDerWaalsContact O-N 3.17Å; L40-K42 PolarHBondContact O-N 2.81Å; L40-R43 PolarHBondContact O-N 3.17Å; L40-Y44 WeakPolarHBondContact O-CB 3.16Å; L40-Y44 PolarHBondContact O-N 3.33Å |
| 41 | F | 96 | Very high | 91.7 | Very high | 72 Ų | 72 | 71 Ų | 71 | 32% | 0.316 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.8 | -46.6 | 178.7 | -175.6 | -117.7 | 0 | 0 | 0 | 111.9 | Y15 C37 T38 D39 R43 Y44 Q45 | Y15-F41 HydrophobicContact CD1-CD2 4.4Å; Y15-F41 HydrophobicContact CD2-CB 3.75Å; Y15-F41 HydrophobicContact CD2-CD2 4.06Å; Y15-F41 HydrophobicContact CD2-CG 4.38Å; Y15-F41 AromaticContact CE1-CD2 3.88Å; Y15-F41 HydrophobicContact CE1-CD2 3.88Å; Y15-F41 HydrophobicContact CE1-CE2 4.36Å; Y15-F41 HydrophobicContact CE2-CB 3.53Å; Y15-F41 AromaticContact CE2-CD2 3.51Å; Y15-F41 HydrophobicContact CE2-CD2 3.51Å; Y15-F41 AromaticContact CE2-CG 3.84Å; Y15-F41 HydrophobicContact CE2-CG 3.84Å; Y15-F41 HydrophobicContact CG-CD2 4.47Å; Y15-F41 AromaticContact CZ-CD2 3.39Å; C37-F41 WeakPolarHBondContact O-CB 3.49Å; C37-F41 PolarHBondContact O-N 3.49Å; T38-F41 PolarHBondContact O-N 3.05Å; D39-F41 VanDerWaalsContact C-N 3.34Å; F41-R43 VanDerWaalsContact C-N 3.33Å; F41-R43 PolarHBondContact O-N 3.31Å; F41-Y44 HydrophobicContact CD2-CD1 4.37Å; F41-Y44 PolarHBondContact O-N 3.4Å; F41-Q45 HydrophobicContact CZ-CB 4.38Å; F41-Q45 HydrophobicContact CZ-CG 4.48Å; F41-Q45 WeakPolarHBondContact O-CB 3.06Å; F41-Q45 PolarHBondContact O-N 3.48Å |
| 42 | K | 96.2 | Very high | 92.2 | Very high | 114 Ų | 114 | 69.4 Ų | 69.4 | 50% | 0.496 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -56.5 | -45.6 | 178.8 | -79.2 | 175.5 | -178.2 | 170.3 | 0 | 112.4 | T38 L40 Q46 | T38-K42 WeakPolarHBondContact O-CG 3.38Å; T38-K42 PolarHBondContact O-N 3.39Å; L40-K42 PolarHBondContact O-N 2.81Å; K42-Q46 WeakPolarHBondContact O-CB 3.44Å; K42-Q46 VanDerWaalsContact O-CG 3.27Å; K42-Q46 WeakPolarHBondContact O-CG 3.29Å; K42-Q46 PolarHBondContact O-N 3.06Å; K42-Q46 VanDerWaalsContact O-N 3.07Å |
| 43 | R | 95 | Very high | 92.9 | Very high | 172 Ų | 172 | 72.7 Ų | 72.7 | 65% | 0.649 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -65.7 | -47.1 | 179.3 | -66.1 | 179 | -172.8 | -168.4 | 2.5 | 111.5 | D39 L40 F41 Q46 C47 | D39-R43 PolarHBondContact O-N 3.2Å; L40-R43 PolarHBondContact O-N 3.17Å; F41-R43 VanDerWaalsContact C-N 3.33Å; F41-R43 PolarHBondContact O-N 3.31Å; R43-Q46 PolarHBondContact O-N 3.46Å; R43-C47 PolarHBondContact O-N 3.13Å |
| 44 | Y | 96.2 | Very high | 93.9 | Very high | 33 Ų | 33 | 76.5 Ų | 76.5 | 13% | 0.129 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61.4 | -46.5 | 177.5 | 167.4 | -117.3 | 0 | 0 | 0 | 112 | C8 M11 K12 Y15 L40 F41 Q46 C47 V48 | C8-Y44 HydrophobicContact CB-CD2 4.45Å; C8-Y44 HydrophobicContact CB-CE2 4.44Å; M11-Y44 HydrophobicContact CB-CD2 4.32Å; K12-Y44 HydrophobicContact CB-CD2 3.91Å; K12-Y44 HydrophobicContact CB-CE2 3.45Å; K12-Y44 VanDerWaalsContact CB-CE2 3.45Å; K12-Y44 HydrophobicContact CD-CE2 4.28Å; K12-Y44 HydrophobicContact CG-CE2 3.93Å; Y15-Y44 AromaticContact CD1-CD1 3.95Å; Y15-Y44 HydrophobicContact CD1-CD1 3.95Å; Y15-Y44 HydrophobicContact CD1-CE1 4.25Å; Y15-Y44 HydrophobicContact CG-CD1 4.34Å; L40-Y44 WeakPolarHBondContact O-CB 3.16Å; L40-Y44 PolarHBondContact O-N 3.33Å; F41-Y44 HydrophobicContact CD2-CD1 4.37Å; F41-Y44 PolarHBondContact O-N 3.4Å; Y44-Q46 PolarHBondContact O-N 3.12Å; Y44-C47 WeakPolarHBondContact O-CB 3.44Å; Y44-C47 PolarHBondContact O-N 3.33Å; Y44-V48 HydrophobicContact CD2-CG2 3.85Å; Y44-V48 HydrophobicContact CE1-CG2 4.46Å; Y44-V48 HydrophobicContact CE2-CB 4.47Å; Y44-V48 HydrophobicContact CE2-CG2 3.22Å; Y44-V48 PolarHBondContact O-N 2.82Å |
| 45 | Q | 95.7 | Very high | 94.5 | Very high | 76 Ų | 76 | 79.2 Ų | 79.2 | 36% | 0.355 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.6 | -45.6 | -180 | -177.2 | -177.5 | 0 | 0 | 0 | 111.5 | F41 C47 V48 Q49 | F41-Q45 HydrophobicContact CZ-CB 4.38Å; F41-Q45 HydrophobicContact CZ-CG 4.48Å; F41-Q45 WeakPolarHBondContact O-CB 3.06Å; F41-Q45 PolarHBondContact O-N 3.48Å; Q45-C47 VanDerWaalsContact C-N 3.31Å; Q45-C47 PolarHBondContact O-N 3.44Å; Q45-V48 PolarHBondContact O-N 3.4Å; Q45-Q49 HydrophobicContact CG-CG 4.36Å; Q45-Q49 WeakPolarHBondContact O-CB 3.43Å; Q45-Q49 WeakPolarHBondContact O-CG 3.27Å; Q45-Q49 PolarHBondContact O-N 3.26Å |
| 46 | Q | 96.3 | Very high | 94.9 | Very high | 136 Ų | 136 | 85.5 Ų | 85.5 | 64% | 0.636 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -59.4 | -43.6 | 176.5 | -75.5 | 174.3 | -10.2 | 0 | 0 | 111.7 | K42 R43 Y44 K50 | K42-Q46 WeakPolarHBondContact O-CB 3.44Å; K42-Q46 VanDerWaalsContact O-CG 3.27Å; K42-Q46 WeakPolarHBondContact O-CG 3.29Å; K42-Q46 PolarHBondContact O-N 3.06Å; K42-Q46 VanDerWaalsContact O-N 3.07Å; R43-Q46 PolarHBondContact O-N 3.46Å; Y44-Q46 PolarHBondContact O-N 3.12Å; Q46-K50 PolarHBondContact O-N 3.11Å |
| 47 | C | 96.5 | Very high | 95 | Very high | 29 Ų | 29 | 84.2 Ų | 84.2 | 20% | 0.196 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61.4 | -47.6 | 176.9 | -171.9 | 0 | 0 | 0 | 0 | 111.6 | C8 M11 R43 Y44 Q45 K50 A51 | C8-C47 WeakPolarHBondContact CA-SG 3.34Å; C8-C47 HydrophobicContact CB-CB 3.87Å; C8-C47 WeakPolarHBondContact CB-SG 3.24Å; C8-C47 WeakPolarHBondContact SG-CB 3.36Å; C8-C47 PolarHBondContact SG-O 3.21Å; C8-C47 VanDerWaalsContact SG-O 3.37Å; C8-C47 CovalentContact SG-SG 2.04Å; C8-C47 PolarHBondContact SG-SG 2.59Å; M11-C47 HydrophobicContact SD-CB 4.12Å; R43-C47 PolarHBondContact O-N 3.13Å; Y44-C47 WeakPolarHBondContact O-CB 3.44Å; Y44-C47 PolarHBondContact O-N 3.33Å; Q45-C47 VanDerWaalsContact C-N 3.31Å; Q45-C47 PolarHBondContact O-N 3.44Å; C47-K50 PolarHBondContact O-N 3.19Å; C47-A51 PolarHBondContact O-N 3.43Å; C47-A51 VanDerWaalsContact O-N 3.1Å |
| 48 | V | 96.2 | Very high | 94.8 | Very high | 19 Ų | 19 | 89.6 Ų | 89.6 | 12% | 0.115 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -68.7 | -40.5 | -178.4 | 167 | 0 | 0 | 0 | 0 | 112.1 | S3 V4 C8 Y44 Q45 K50 A51 I52 | S3-V48 WeakPolarHBondContact OG-CG2 3.39Å; V4-V48 HydrophobicContact CG1-CG1 3.98Å; C8-V48 HydrophobicContact CB-CG2 3.97Å; Y44-V48 HydrophobicContact CD2-CG2 3.85Å; Y44-V48 HydrophobicContact CE1-CG2 4.46Å; Y44-V48 HydrophobicContact CE2-CB 4.47Å; Y44-V48 HydrophobicContact CE2-CG2 3.22Å; Y44-V48 PolarHBondContact O-N 2.82Å; Q45-V48 PolarHBondContact O-N 3.4Å; V48-K50 VanDerWaalsContact C-N 3.25Å; V48-K50 PolarHBondContact O-N 3.47Å; V48-A51 PolarHBondContact O-N 3.43Å; V48-A51 VanDerWaalsContact O-N 3.11Å; V48-I52 HydrophobicContact CG1-CD1 3.54Å; V48-I52 HydrophobicContact CG1-CG1 4Å; V48-I52 WeakPolarHBondContact O-CB 3.33Å; V48-I52 VanDerWaalsContact O-CG1 3.26Å; V48-I52 WeakPolarHBondContact O-CG1 3.23Å; V48-I52 PolarHBondContact O-N 2.04Å |
| 49 | Q | 95.2 | Very high | 94.6 | Very high | 98 Ų | 98 | 91 Ų | 91 | 46% | 0.458 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -59.3 | -38.8 | 176.3 | -78.8 | -172.7 | -10.1 | 0 | 0 | 112 | Q45 K53 | Q45-Q49 HydrophobicContact CG-CG 4.36Å; Q45-Q49 WeakPolarHBondContact O-CB 3.43Å; Q45-Q49 WeakPolarHBondContact O-CG 3.27Å; Q45-Q49 PolarHBondContact O-N 3.26Å; Q49-K53 WeakPolarHBondContact O-CG 3.48Å; Q49-K53 PolarHBondContact O-N 2.85Å |
| 50 | K | 95.2 | Very high | 94.2 | Very high | 131 Ų | 131 | 93.2 Ų | 93.2 | 57% | 0.57 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -62.2 | -49.7 | 172.7 | -178 | 178.8 | 170.6 | -178.8 | 0 | 111.2 | Q46 C47 V48 I52 K53 E54 | Q46-K50 PolarHBondContact O-N 3.11Å; C47-K50 PolarHBondContact O-N 3.19Å; V48-K50 VanDerWaalsContact C-N 3.25Å; V48-K50 PolarHBondContact O-N 3.47Å; K50-I52 VanDerWaalsContact C-N 3.31Å; K50-I52 PolarHBondContact O-N 3.26Å; K50-K53 PolarHBondContact O-N 2.99Å; K50-E54 WeakPolarHBondContact CE-OE1 3.33Å; K50-E54 IonicContact NZ-OE1 3.92Å; K50-E54 WeakPolarHBondContact O-CG 3.32Å; K50-E54 PolarHBondContact O-N 3.24Å |
| 51 | A | 95.1 | Very high | 93.7 | Very high | 7 Ų | 7 | 95 Ų | 95 | 6% | 0.058 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -62.8 | -35.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | V4 C47 V48 K55 | V4-A51 HydrophobicContact CG1-CB 4.28Å; C47-A51 PolarHBondContact O-N 3.43Å; C47-A51 VanDerWaalsContact O-N 3.1Å; V48-A51 PolarHBondContact O-N 3.43Å; V48-A51 VanDerWaalsContact O-N 3.11Å; A51-K55 WeakPolarHBondContact O-CB 3.41Å; A51-K55 WeakPolarHBondContact O-CG 3.17Å; A51-K55 PolarHBondContact O-N 3.31Å; A51-K55 VanDerWaalsContact O-N 3.08Å |
| 52 | I | 95.4 | Very high | 93.2 | Very high | 28 Ų | 28 | 96.8 Ų | 96.8 | 14% | 0.144 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -65.9 | -43.3 | 176.5 | -73.3 | 176.3 | 0 | 0 | 0 | 110.8 | V4 V48 K50 K55 E56 I57 I59 | V4-I52 HydrophobicContact CG1-CG1 4.1Å; V48-I52 HydrophobicContact CG1-CD1 3.54Å; V48-I52 HydrophobicContact CG1-CG1 4Å; V48-I52 WeakPolarHBondContact O-CB 3.33Å; V48-I52 VanDerWaalsContact O-CG1 3.26Å; V48-I52 WeakPolarHBondContact O-CG1 3.23Å; V48-I52 PolarHBondContact O-N 2.04Å; K50-I52 VanDerWaalsContact C-N 3.31Å; K50-I52 PolarHBondContact O-N 3.26Å; I52-K55 PolarHBondContact O-N 2.91Å; I52-E56 PolarHBondContact O-N 3.1Å; I52-E56 VanDerWaalsContact O-N 3.12Å; I52-I57 HydrophobicContact CG2-CB 4.08Å; I52-I57 PolarHBondContact O-N 3.08Å; I52-I57 VanDerWaalsContact O-N 3.12Å; I52-I59 HydrophobicContact CD1-CD1 3.78Å; I52-I59 HydrophobicContact CG2-CD1 3.74Å; I52-I59 HydrophobicContact CG2-CG1 3.75Å |
| 53 | K | 93.9 | Very high | 92.8 | Very high | 142 Ų | 142 | 97 Ų | 97 | 62% | 0.617 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.6 | -44 | 176.2 | -72.4 | 179.2 | 179.2 | -172.9 | 0 | 111.9 | Q49 K50 K55 E56 | Q49-K53 WeakPolarHBondContact O-CG 3.48Å; Q49-K53 PolarHBondContact O-N 2.85Å; K50-K53 PolarHBondContact O-N 2.99Å; K53-K55 VanDerWaalsContact C-N 3.26Å; K53-K55 PolarHBondContact O-N 3.27Å; K53-E56 PolarHBondContact O-N 3.5Å |
| 54 | E | 94.5 | Very high | 92.5 | Very high | 132 Ų | 132 | 97 Ų | 97 | 62% | 0.617 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.4 | -29.6 | 178.1 | -73.3 | 174.4 | 172.2 | 0 | 0 | 113.1 | K50 | K50-E54 WeakPolarHBondContact CE-OE1 3.33Å; K50-E54 IonicContact NZ-OE1 3.92Å; K50-E54 WeakPolarHBondContact O-CG 3.32Å; K50-E54 PolarHBondContact O-N 3.24Å |
| 55 | K | 93.6 | Very high | 92.1 | Very high | 124 Ų | 124 | 102.7 Ų | 102.7 | 54% | 0.539 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 5.8 | 177.1 | -67.6 | -171.2 | 175.8 | -169.3 | 0 | 113.9 | V4 A51 I52 K53 I57 | V4-K55 HydrophobicContact CG2-CD 4Å; V4-K55 WeakPolarHBondContact O-CE 3.34Å; V4-K55 PolarHBondContact O-NZ 3.46Å; A51-K55 WeakPolarHBondContact O-CB 3.41Å; A51-K55 WeakPolarHBondContact O-CG 3.17Å; A51-K55 PolarHBondContact O-N 3.31Å; A51-K55 VanDerWaalsContact O-N 3.08Å; I52-K55 PolarHBondContact O-N 2.91Å; K53-K55 VanDerWaalsContact C-N 3.26Å; K53-K55 PolarHBondContact O-N 3.27Å; K55-I57 HydrophobicContact CB-CD1 4.03Å; K55-I57 HydrophobicContact CB-CG1 3.9Å; K55-I57 PolarHBondContact O-N 3.02Å |
| 56 | E | 92.5 | Very high | 91.1 | Very high | 175 Ų | 175 | 100.9 Ų | 100.9 | 82% | 0.818 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 37.7 | 178.1 | -57.3 | -177.1 | 97.7 | 0 | 0 | 113.6 | I52 K53 P58 | I52-E56 PolarHBondContact O-N 3.1Å; I52-E56 VanDerWaalsContact O-N 3.12Å; K53-E56 PolarHBondContact O-N 3.5Å; E56-P58 WeakPolarHBondContact O-CD 3.31Å |
| 57 | I | 93.4 | Very high | 90 | Very high | 70 Ų | 70 | 101.7 Ų | 101.7 | 36% | 0.359 | 52% | 0.523 | S | S | . | . | trans | -81.3 | 119.6 | -178.6 | -56 | 174.8 | 0 | 0 | 0 | 109.1 | V4 I52 K55 I59 | V4-I57 HydrophobicContact CG2-CD1 3.61Å; I52-I57 HydrophobicContact CG2-CB 4.08Å; I52-I57 PolarHBondContact O-N 3.08Å; I52-I57 VanDerWaalsContact O-N 3.12Å; K55-I57 HydrophobicContact CB-CD1 4.03Å; K55-I57 HydrophobicContact CB-CG1 3.9Å; K55-I57 PolarHBondContact O-N 3.02Å; I57-I59 HydrophobicContact CG2-CG2 4.02Å; I57-I59 PolarHBondContact O-N 3.08Å | ||
| 58 | P | 89.5 | Confident | 88.3 | Confident | 112 Ų | 112 | 102.9 Ų | 102.9 | 73% | 0.727 | 54% | 0.54 | S | S | * | . | trans | -80.8 | 84 | -172.3 | 32.7 | -35.7 | 0 | 0 | 0 | 111.7 | E56 | E56-P58 WeakPolarHBondContact O-CD 3.31Š| ||
| 59 | I | 90 | Very high | 86.4 | Confident | 87 Ų | 87 | 110.1 Ų | 110.1 | 45% | 0.446 | 57% | 0.57 | S | S | . | * | trans | -103.2 | -16.5 | 174.6 | 62.1 | 159 | 0 | 0 | 0 | 113.7 | I52 I57 | I52-I59 HydrophobicContact CD1-CD1 3.78Å; I52-I59 HydrophobicContact CG2-CD1 3.74Å; I52-I59 HydrophobicContact CG2-CG1 3.75Å; I57-I59 HydrophobicContact CG2-CG2 4.02Å; I57-I59 PolarHBondContact O-N 3.08Å | ||
| 60 | E | 87.3 | Confident | 84.4 | Confident | 156 Ų | 156 | 114.1 Ų | 114.1 | 73% | 0.729 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | 141.3 | 179.3 | -67.1 | -176.9 | -177.8 | 0 | 0 | 110.3 | L62 | E60-L62 PolarHBondContact O-N 3.32Š|
| 61 | G | 83.7 | Confident | 82.4 | Confident | 83 Ų | 83 | 116.7 Ų | 116.7 | 86% | 0.856 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 77.2 | 1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 62 | L | 86.7 | Confident | 80.2 | Confident | 109 Ų | 109 | 122 Ų | 122 | 57% | 0.571 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -79 | 120.9 | 169.5 | -63.3 | -179.7 | 0 | 0 | 0 | 109.9 | E60 | E60-L62 PolarHBondContact O-N 3.32Š|
| 63 | E | 86.9 | Confident | 78 | Confident | 117 Ų | 117 | 130.2 Ų | 130.2 | 55% | 0.547 | 67% | 0.671 | S | S | . | * | P | Polyproline II helix | trans | -78.8 | 142.1 | 177.4 | -63.9 | -161 | 145.2 | 0 | 0 | 112.2 | M65 G66 G68 | E63-M65 PolarHBondContact O-N 3.23Å; E63-G66 PolarHBondContact O-N 3.02Å; E63-G66 VanDerWaalsContact O-N 3.08Å; E63-G68 VanDerWaalsContact OE2-CA 3.3Å; E63-G68 WeakPolarHBondContact OE2-CA 3.3Å; E63-G68 PolarHBondContact OE2-N 3.07Å |
| 64 | F | 88.6 | Confident | 75.7 | Confident | 174 Ų | 174 | 130.4 Ų | 130.4 | 76% | 0.763 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -59.5 | 134.8 | 173.8 | -177.4 | -107.4 | 0 | 0 | 0 | 110.3 | G66 | F64-G66 PolarHBondContact O-N 3.39Å; F64-G66 VanDerWaalsContact O-N 3.12Å |
| 65 | M | 88.2 | Confident | 73.7 | Confident | 151 Ų | 151 | 129.9 Ų | 129.9 | 74% | 0.744 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | 59.2 | 14.1 | -174.4 | -66.6 | -175.1 | 167.5 | 0 | 0 | 115.6 | E63 H67 | E63-M65 PolarHBondContact O-N 3.23Å; M65-H67 VanDerWaalsContact C-N 3.31Å; M65-H67 PolarHBondContact O-N 2.97Å |
| 66 | G | 75.5 | Confident | 71.4 | Confident | 39 Ų | 39 | 133 Ų | 133 | 40% | 0.402 | 73% | 0.727 | S | S | . | * | G | 310 helix | trans | 72.5 | 18.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | E63 F64 G68 K69 | E63-G66 PolarHBondContact O-N 3.02Å; E63-G66 VanDerWaalsContact O-N 3.08Å; F64-G66 PolarHBondContact O-N 3.39Å; F64-G66 VanDerWaalsContact O-N 3.12Å; G66-G68 PolarHBondContact O-N 2.75Å; G66-K69 PolarHBondContact O-N 3.12Å |
| 67 | H | 71.3 | Confident | 70.3 | Confident | 153 Ų | 153 | 130.9 Ų | 130.9 | 71% | 0.708 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | -15.8 | 177 | -72.2 | -35.3 | 0 | 0 | 0 | 114.2 | M65 | M65-H67 VanDerWaalsContact C-N 3.31Å; M65-H67 PolarHBondContact O-N 2.97Å |
| 68 | G | 61.3 | Low | 69.1 | Low | 53 Ų | 53 | 134.1 Ų | 134.1 | 55% | 0.546 | 74% | 0.742 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.3 | 1.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116 | E63 G66 | E63-G68 VanDerWaalsContact OE2-CA 3.3Å; E63-G68 WeakPolarHBondContact OE2-CA 3.3Å; E63-G68 PolarHBondContact OE2-N 3.07Å; G66-G68 PolarHBondContact O-N 2.75Å |
| 69 | K | 57 | Low | 68 | Low | 171 Ų | 171 | 135.3 Ų | 135.3 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | trans | -102.8 | 68.9 | 173.1 | -72.3 | -118.5 | 178.7 | 179.6 | 0 | 109.4 | G66 K71 | G66-K69 PolarHBondContact O-N 3.12Å; K69-K71 PolarHBondContact O-N 2.93Å; K69-K71 VanDerWaalsContact O-N 3.07Å | ||
| 70 | E | 52.3 | Low | 66.7 | Low | 183 Ų | 183 | 138.1 Ų | 138.1 | 86% | 0.855 | 76% | 0.76 | S | S | * | * | trans | -57.7 | 115.5 | 160.7 | -74.4 | -177.9 | 96.8 | 0 | 0 | 107.9 | ||||
| 71 | K | 54 | Low | 65.4 | Low | 185 Ų | 185 | 137 Ų | 137 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -60.9 | 129.1 | 172.3 | -158.1 | 179 | -174.7 | -176.9 | 0 | 106.2 | K69 E73 | K69-K71 PolarHBondContact O-N 2.93Å; K69-K71 VanDerWaalsContact O-N 3.07Å; K71-E73 PolarHBondContact O-N 2.81Å | ||
| 72 | P | 48.3 | Very low | 64.2 | Low | 119 Ų | 119 | 140.6 Ų | 140.6 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | trans | -63.1 | 105.3 | 172.2 | 24.5 | -30.3 | 0 | 0 | 0 | 107.9 | N74 | P72-N74 PolarHBondContact O-N 3.15Š| ||
| 73 | E | 48.6 | Very low | 62.6 | Low | 199 Ų | 199 | 142.9 Ų | 142.9 | 93% | 0.93 | 77% | 0.769 | S | S | * | * | trans | -68.8 | 76.7 | 162.8 | -73 | -167.1 | 107.8 | 0 | 0 | 107.9 | K71 | K71-E73 PolarHBondContact O-N 2.81Š| ||
| 74 | N | 46.9 | Very low | 60.7 | Low | 146 Ų | 146 | 144.8 Ų | 144.8 | 78% | 0.781 | 79% | 0.786 | S | S | * | * | trans | -156.6 | 92.2 | 154.3 | -154.5 | 6.9 | 0 | 0 | 0 | 109.6 | P72 | P72-N74 PolarHBondContact O-N 3.15Š| ||
| 75 | S | 51.4 | Low | 58.4 | Low | 121 Ų | 121 | 142.4 Ų | 142.4 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | -150.1 | 83.3 | 156.4 | -150.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 76 | S | 45.9 | Very low | 55.7 | Low | 189 Ų | 189 | 141.6 Ų | 141.6 | 100% | 1.322 | 79% | 0.792 | S | S | * | * | trans | 63.8 | 0 | 162.6 | -67.5 | 0 | 0 | 0 | 0 | 119.7 |
Retrieved 76 of 76 residues in 52.1 ms
(Link to these results)