| 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 | 52.8 | Low | 76.7 | Confident | 74 Ų | 74 | 38.8 Ų | 38.8 | 37% | 0.365 | 21% | 0.21 | S | C | . | . | 0 | 126.7 | 0 | -168.3 | -167.3 | -76.9 | 0 | 0 | 108.3 | W6 F29 V78 M82 P101 L262 | M1-W6 PolarHBondContact SD-NE1 3.26Å; M1-F29 HydrophobicContact CE-CZ 4.38Å; M1-V78 HydrophobicContact CE-CG1 3.79Å; M1-V78 HydrophobicContact SD-CG1 4.35Å; M1-M82 HydrophobicContact CE-CE 3.64Å; M1-M82 HydrophobicContact CE-SD 2.96Å; M1-M82 WeakPolarHBondContact CE-SD 3.44Å; M1-P101 HydrophobicContact CE-CG 4.41Å; M1-L262 WeakPolarHBondContact O-CD1 3.47Å | |||
| 2 | T | 55.6 | Low | 77.9 | Confident | 133 Ų | 133 | 38.2 Ų | 38.2 | 82% | 0.816 | 21% | 0.209 | S | C | * | . | trans | -102.1 | -5.3 | -170.6 | 48.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 3 | S | 69.6 | Low | 79 | Confident | 51 Ų | 51 | 36.7 Ų | 36.7 | 36% | 0.357 | 21% | 0.208 | S | C | . | . | trans | -137.6 | 139.2 | -175.4 | -178.9 | 0 | 0 | 0 | 0 | 111.7 | R5 | S3-R5 VanDerWaalsContact C-N 3.28Å; S3-R5 PolarHBondContact O-N 3.18Å; S3-R5 WeakPolarHBondContact OG-CG 3.29Å | ||
| 4 | R | 80.8 | Confident | 80.1 | Confident | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.008 | 23% | 0.233 | C | C | . | . | trans | -89.7 | 20.5 | -179.1 | -154.2 | -168.9 | -175.9 | -134.7 | 5.9 | 113 | W6 F7 E252 Q255 E258 | R4-W6 HydrophobicContact CG-CH2 3.93Å; R4-W6 HydrophobicContact CG-CZ2 3.53Å; R4-W6 PolarHBondContact O-N 3.16Å; R4-F7 HydrophobicContact CG-CB 4.27Å; R4-F7 WeakPolarHBondContact O-CB 3.36Å; R4-F7 PolarHBondContact O-N 3.17Å; R4-E252 IonicContact NH1-OE2 3.27Å; R4-E252 PolarHBondContact NH1-OE2 2.97Å; R4-Q255 WeakPolarHBondContact CD-O 3.17Å; R4-Q255 VanDerWaalsContact NH1-CB 3.28Å; R4-E258 IonicContact CZ-OE1 3.8Å; R4-E258 IonicContact NE-OE1 2.95Å; R4-E258 PolarHBondContact NE-OE1 2.98Å; R4-E258 IonicContact NH2-OE1 2.62Å; R4-E258 PolarHBondContact NH2-OE1 2.89Å | ||
| 5 | R | 78.6 | Confident | 81 | Confident | 74 Ų | 74 | 44.2 Ų | 44.2 | 28% | 0.279 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -16.1 | -175.7 | -79.4 | -166.1 | -56 | -167.8 | 7 | 114.8 | S3 F7 N103 C104 D192 | S3-R5 VanDerWaalsContact C-N 3.28Å; S3-R5 PolarHBondContact O-N 3.18Å; S3-R5 WeakPolarHBondContact OG-CG 3.29Å; R5-F7 PolarHBondContact O-N 2.87Å; R5-N103 HydrophobicContact CB-CB 3.89Å; R5-N103 VanDerWaalsContact CB-OD1 3.28Å; R5-N103 WeakPolarHBondContact CB-OD1 3.37Å; R5-N103 CarbonylContact O-C 3.59Å; R5-N103 WeakPolarHBondContact O-CA 3.48Å; R5-C104 WeakPolarHBondContact O-CB 3.2Å; R5-C104 PolarHBondContact O-N 2.85Å; R5-D192 IonicContact CZ-OD1 3.44Å; R5-D192 IonicContact NH1-OD1 3.51Å; R5-D192 PolarHBondContact NH1-OD1 2.86Å |
| 6 | W | 86.3 | Confident | 81.8 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 0% | 0.004 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -7.9 | 172.5 | 48 | -94.6 | 0 | 0 | 0 | 114 | M1 R4 H8 F29 L30 A31 L74 A75 V78 P101 | M1-W6 PolarHBondContact SD-NE1 3.26Å; R4-W6 HydrophobicContact CG-CH2 3.93Å; R4-W6 HydrophobicContact CG-CZ2 3.53Å; R4-W6 PolarHBondContact O-N 3.16Å; W6-H8 PolarHBondContact O-CD2 2.81Å; W6-F29 HydrophobicContact CB-CE2 4.05Å; W6-F29 HydrophobicContact CD2-CE2 4.49Å; W6-F29 HydrophobicContact CG-CE2 4.17Å; W6-L30 WeakPolarHBondContact O-CA 3.43Å; W6-A31 HydrophobicContact CE3-CB 3.58Å; W6-A31 HydrophobicContact CZ3-CB 3.51Å; W6-A31 PolarHBondContact O-N 3.23Å; W6-L74 HydrophobicContact CH2-CB 3.75Å; W6-L74 HydrophobicContact CZ3-CB 4.25Å; W6-A75 HydrophobicContact CZ2-CB 4.25Å; W6-V78 HydrophobicContact CD2-CG1 4.37Å; W6-V78 HydrophobicContact CD2-CG2 4.14Å; W6-V78 HydrophobicContact CE3-CG2 3.9Å; W6-V78 HydrophobicContact CH2-CB 4.33Å; W6-V78 HydrophobicContact CH2-CG2 3.71Å; W6-V78 HydrophobicContact CZ2-CB 4.1Å; W6-V78 HydrophobicContact CZ2-CG1 4.46Å; W6-V78 HydrophobicContact CZ2-CG2 3.93Å; W6-V78 HydrophobicContact CZ3-CG2 3.68Å; W6-P101 HydrophobicContact CB-CB 3.7Å; W6-P101 HydrophobicContact CG-CB 4.31Å |
| 7 | F | 86.7 | Confident | 82.7 | Confident | 3 Ų | 3 | 43.3 Ų | 43.3 | 1% | 0.013 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | -90.5 | 126.1 | 175.4 | -172 | -96.9 | 0 | 0 | 0 | 110.9 | R4 R5 P9 A31 P33 F41 L74 C104 E252 | R4-F7 HydrophobicContact CG-CB 4.27Å; R4-F7 WeakPolarHBondContact O-CB 3.36Å; R4-F7 PolarHBondContact O-N 3.17Å; R5-F7 PolarHBondContact O-N 2.87Å; F7-P9 HydrophobicContact CE1-CB 4.23Å; F7-A31 CarbonylContact C-O 3.46Å; F7-A31 WeakPolarHBondContact CA-O 3.32Å; F7-A31 HydrophobicContact CD2-CB 4Å; F7-P33 HydrophobicContact CZ-CG 3.9Å; F7-F41 AromaticContact CE2-CD1 3.83Å; F7-F41 HydrophobicContact CE2-CD1 3.83Å; F7-F41 HydrophobicContact CE2-CE1 4.03Å; F7-F41 HydrophobicContact CZ-CD1 4.14Å; F7-F41 AromaticContact CZ-CE1 3.97Å; F7-F41 HydrophobicContact CZ-CE1 3.97Å; F7-L74 HydrophobicContact CD2-CD1 4.19Å; F7-L74 HydrophobicContact CE2-CD1 3.87Å; F7-C104 WeakPolarHBondContact O-CB 3.41Å; F7-E252 WeakPolarHBondContact CE1-OE2 3.3Å; F7-E252 WeakPolarHBondContact CZ-OE2 3.38Å |
| 8 | H | 87 | Confident | 83.3 | Confident | 7 Ų | 7 | 45.8 Ų | 45.8 | 3% | 0.032 | 25% | 0.251 | C | S | . | . | trans | -114.5 | 106.7 | 179.9 | -66.6 | -115 | 0 | 0 | 0 | 109.3 | W6 N10 I11 A31 R32 P33 L102 C104 | W6-H8 PolarHBondContact O-CD2 2.81Å; H8-N10 PolarHBondContact O-N 2.64Å; H8-I11 HydrophobicContact CB-CD1 3.4Å; H8-I11 VanDerWaalsContact CB-CD1 3.4Å; H8-I11 HydrophobicContact CB-CG1 3.58Å; H8-I11 HydrophobicContact CB-CG2 4.21Å; H8-A31 PolarHBondContact N-O 2.97Å; H8-R32 WeakPolarHBondContact O-CA 3.36Å; H8-R32 WeakPolarHBondContact O-CB 3.36Å; H8-P33 WeakPolarHBondContact O-CD 2.89Å; H8-L102 PolarHBondContact NE2-O 3.11Å; H8-C104 WeakPolarHBondContact CE1-CA 3.39Å; H8-C104 PolarHBondContact ND1-SG 3.33Å | ||
| 9 | P | 79.6 | Confident | 83.7 | Confident | 6 Ų | 6 | 45.4 Ų | 45.4 | 4% | 0.039 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -69.3 | -32.8 | -171.4 | 22.9 | -30.9 | 0 | 0 | 0 | 113.6 | F7 P33 W248 | F7-P9 HydrophobicContact CE1-CB 4.23Å; P9-P33 WeakPolarHBondContact O-CG 3.3Å; P9-W248 HydrophobicContact CB-CH2 3.64Å; P9-W248 HydrophobicContact CB-CZ2 4.49Å; P9-W248 HydrophobicContact CB-CZ3 4.39Å; P9-W248 WeakPolarHBondContact O-CH2 3.21Å |
| 10 | N | 81.3 | Confident | 84.2 | Confident | 51 Ų | 51 | 43.2 Ų | 43.2 | 27% | 0.273 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -115.1 | 5.5 | -162 | -65.9 | -40.2 | 0 | 0 | 0 | 115.7 | H8 D106 T108 | H8-N10 PolarHBondContact O-N 2.64Å; N10-D106 PolarHBondContact ND2-OD2 3.44Å; N10-T108 PolarHBondContact ND2-OG1 2.71Å |
| 11 | I | 85.8 | Confident | 84.7 | Confident | 25 Ų | 25 | 44.7 Ų | 44.7 | 13% | 0.128 | 24% | 0.243 | C | C | . | . | trans | -95.2 | 148.9 | -173.9 | 70.4 | 173.6 | 0 | 0 | 0 | 113.7 | H8 E15 A16 L19 L30 R32 | H8-I11 HydrophobicContact CB-CD1 3.4Å; H8-I11 VanDerWaalsContact CB-CD1 3.4Å; H8-I11 HydrophobicContact CB-CG1 3.58Å; H8-I11 HydrophobicContact CB-CG2 4.21Å; I11-E15 HydrophobicContact CB-CB 4.22Å; I11-A16 HydrophobicContact CD1-CB 3.83Å; I11-L19 HydrophobicContact CD1-CD1 4.23Å; I11-L30 HydrophobicContact CD1-CD1 3.8Å; I11-L30 HydrophobicContact CD1-CD2 4.06Å; I11-R32 HydrophobicContact CD1-CB 4.49Å; I11-R32 HydrophobicContact CG1-CB 3.99Å | ||
| 12 | T | 91.5 | Very high | 86.5 | Confident | 31 Ų | 31 | 46.3 Ų | 46.3 | 19% | 0.19 | 26% | 0.258 | C | S | . | . | trans | -78.4 | 173.1 | 170.5 | 62 | 0 | 0 | 0 | 0 | 112 | E15 A16 K35 | T12-E15 VanDerWaalsContact CB-OE2 3.31Å; T12-E15 WeakPolarHBondContact CB-OE2 3.48Å; T12-E15 VanDerWaalsContact CG2-OE2 3.26Å; T12-E15 WeakPolarHBondContact CG2-OE2 3.39Å; T12-E15 PolarHBondContact N-OE2 3.12Å; T12-E15 WeakPolarHBondContact OG1-CB 3.49Å; T12-E15 VanDerWaalsContact OG1-CD 3.28Å; T12-E15 VanDerWaalsContact OG1-CG 3.23Å; T12-E15 WeakPolarHBondContact OG1-CG 3.44Å; T12-E15 PolarHBondContact OG1-N 2.72Å; T12-E15 PolarHBondContact OG1-OE2 2.85Å; T12-A16 WeakPolarHBondContact O-CB 3.34Å; T12-A16 PolarHBondContact O-N 2.86Å; T12-A16 VanDerWaalsContact O-N 3.11Å; T12-K35 HydrophobicContact CG2-CD 3.78Å; T12-K35 VanDerWaalsContact CG2-CE 3.48Å | ||
| 13 | G | 91.8 | Very high | 88 | Confident | 19 Ų | 19 | 48.7 Ų | 48.7 | 20% | 0.196 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.1 | -45.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113 | E15 A16 E17 R32 | G13-E15 PolarHBondContact O-N 2.84Å; G13-A16 WeakPolarHBondContact O-CB 3.09Å; G13-A16 PolarHBondContact O-N 2.89Å; G13-E17 WeakPolarHBondContact O-CG 3.5Å; G13-E17 PolarHBondContact O-N 2.81Å; G13-R32 VanDerWaalsContact CA-CZ 3.45Å |
| 14 | V | 94.9 | Very high | 89 | Confident | 94 Ų | 94 | 46.8 Ų | 46.8 | 57% | 0.57 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -64.1 | -43.4 | -179.7 | -178.5 | 0 | 0 | 0 | 0 | 111.5 | A16 E17 N18 | V14-A16 VanDerWaalsContact C-N 3.32Å; V14-A16 PolarHBondContact O-N 2.95Å; V14-E17 PolarHBondContact O-N 2.92Å; V14-N18 PolarHBondContact O-N 3.43Å; V14-N18 PolarHBondContact O-ND2 2.91Å |
| 15 | E | 92.9 | Very high | 89.6 | Confident | 92 Ų | 92 | 50.5 Ų | 50.5 | 43% | 0.43 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.9 | -38 | 175 | -71.5 | 160.2 | 147.9 | 0 | 0 | 111.8 | I11 T12 G13 N18 L19 | I11-E15 HydrophobicContact CB-CB 4.22Å; T12-E15 VanDerWaalsContact CB-OE2 3.31Å; T12-E15 WeakPolarHBondContact CB-OE2 3.48Å; T12-E15 VanDerWaalsContact CG2-OE2 3.26Å; T12-E15 WeakPolarHBondContact CG2-OE2 3.39Å; T12-E15 PolarHBondContact N-OE2 3.12Å; T12-E15 WeakPolarHBondContact OG1-CB 3.49Å; T12-E15 VanDerWaalsContact OG1-CD 3.28Å; T12-E15 VanDerWaalsContact OG1-CG 3.23Å; T12-E15 WeakPolarHBondContact OG1-CG 3.44Å; T12-E15 PolarHBondContact OG1-N 2.72Å; T12-E15 PolarHBondContact OG1-OE2 2.85Å; G13-E15 PolarHBondContact O-N 2.84Å; E15-N18 PolarHBondContact O-N 2.96Å; E15-L19 WeakPolarHBondContact O-CB 3.31Å; E15-L19 VanDerWaalsContact O-CG 3.3Å; E15-L19 WeakPolarHBondContact O-CG 3.34Å; E15-L19 PolarHBondContact O-N 3.26Å |
| 16 | A | 94.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I11 T12 G13 V14 L19 L20 L30 | I11-A16 HydrophobicContact CD1-CB 3.83Å; T12-A16 WeakPolarHBondContact O-CB 3.34Å; T12-A16 PolarHBondContact O-N 2.86Å; T12-A16 VanDerWaalsContact O-N 3.11Å; G13-A16 WeakPolarHBondContact O-CB 3.09Å; G13-A16 PolarHBondContact O-N 2.89Å; V14-A16 VanDerWaalsContact C-N 3.32Å; V14-A16 PolarHBondContact O-N 2.95Å; A16-L19 PolarHBondContact O-N 3.11Å; A16-L20 WeakPolarHBondContact O-CB 3.32Å; A16-L20 WeakPolarHBondContact O-CG 3.4Å; A16-L20 PolarHBondContact O-N 2.97Å; A16-L30 HydrophobicContact CB-CD1 3.91Å; A16-L30 HydrophobicContact CB-CD2 4.3Å |
| 17 | E | 96.1 | Very high | 90.6 | Very high | 73 Ų | 73 | 50.5 Ų | 50.5 | 34% | 0.341 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.6 | -50.4 | 174.8 | -70.7 | 178.9 | -178.1 | 0 | 0 | 110.8 | G13 V14 L19 L20 L21 V51 H53 | G13-E17 WeakPolarHBondContact O-CG 3.5Å; G13-E17 PolarHBondContact O-N 2.81Å; V14-E17 PolarHBondContact O-N 2.92Å; E17-L19 VanDerWaalsContact C-N 3.34Å; E17-L19 PolarHBondContact O-N 2.76Å; E17-L20 PolarHBondContact O-N 2.91Å; E17-L21 WeakPolarHBondContact O-CB 3.29Å; E17-L21 VanDerWaalsContact O-CG 3.29Å; E17-L21 WeakPolarHBondContact O-CG 3.29Å; E17-L21 PolarHBondContact O-N 3.08Å; E17-V51 HydrophobicContact CG-CB 4.01Å; E17-V51 HydrophobicContact CG-CG1 3.93Å; E17-H53 WeakPolarHBondContact CG-NE2 3.36Å; E17-H53 IonicContact OE1-CD2 3.75Å; E17-H53 IonicContact OE1-NE2 2.97Å; E17-H53 PolarHBondContact OE1-NE2 3.45Å |
| 18 | N | 94.2 | Very high | 91 | Very high | 89 Ų | 89 | 50.7 Ų | 50.7 | 48% | 0.476 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -58 | -44.9 | 178.2 | -72.9 | -22.1 | 0 | 0 | 0 | 112.1 | V14 E15 L21 T22 | V14-N18 PolarHBondContact O-N 3.43Å; V14-N18 PolarHBondContact O-ND2 2.91Å; E15-N18 PolarHBondContact O-N 2.96Å; N18-L21 PolarHBondContact O-N 2.99Å; N18-T22 WeakPolarHBondContact O-CB 3.33Å; N18-T22 VanDerWaalsContact O-CG2 3.31Å; N18-T22 WeakPolarHBondContact O-CG2 3.14Å; N18-T22 PolarHBondContact O-N 2.87Å; N18-T22 PolarHBondContact O-OG1 2.82Å |
| 19 | L | 90.1 | Very high | 91.5 | Very high | 38 Ų | 38 | 50.3 Ų | 50.3 | 20% | 0.199 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.2 | -45.8 | 177.2 | -77.3 | 170.2 | 0 | 0 | 0 | 112 | I11 E15 A16 E17 R23 G24 L102 | I11-L19 HydrophobicContact CD1-CD1 4.23Å; E15-L19 WeakPolarHBondContact O-CB 3.31Å; E15-L19 VanDerWaalsContact O-CG 3.3Å; E15-L19 WeakPolarHBondContact O-CG 3.34Å; E15-L19 PolarHBondContact O-N 3.26Å; A16-L19 PolarHBondContact O-N 3.11Å; E17-L19 VanDerWaalsContact C-N 3.34Å; E17-L19 PolarHBondContact O-N 2.76Å; L19-R23 WeakPolarHBondContact O-CB 3.38Å; L19-R23 PolarHBondContact O-N 2.84Å; L19-G24 PolarHBondContact O-N 3.3Å; L19-L102 HydrophobicContact CB-CD2 4.38Å |
| 20 | L | 93.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.8 | -38 | 179.9 | -76.7 | 167 | 0 | 0 | 0 | 112.4 | A16 E17 G24 L30 R46 V51 L102 | A16-L20 WeakPolarHBondContact O-CB 3.32Å; A16-L20 WeakPolarHBondContact O-CG 3.4Å; A16-L20 PolarHBondContact O-N 2.97Å; E17-L20 PolarHBondContact O-N 2.91Å; L20-G24 CarbonylContact O-C 3.5Å; L20-G24 WeakPolarHBondContact O-CA 3.5Å; L20-G24 PolarHBondContact O-N 3.44Å; L20-L30 HydrophobicContact CD1-CD2 4.38Å; L20-L30 HydrophobicContact CD1-CG 4.31Å; L20-L30 HydrophobicContact CD2-CD2 4.44Å; L20-L30 HydrophobicContact CG-CD2 4.09Å; L20-L30 HydrophobicContact CG-CG 4.44Å; L20-R46 HydrophobicContact CB-CB 4.31Å; L20-R46 HydrophobicContact CD2-CB 4.38Å; L20-R46 WeakPolarHBondContact O-CD 3.46Å; L20-R46 PolarHBondContact O-NH1 2.84Å; L20-V51 HydrophobicContact CB-CG2 3.83Å; L20-V51 HydrophobicContact CD1-CG1 3.71Å; L20-V51 HydrophobicContact CD1-CG2 4.16Å; L20-L102 HydrophobicContact CD2-CB 4.38Å; L20-L102 HydrophobicContact CD2-CD1 3.93Å; L20-L102 HydrophobicContact CG-CD1 4.45Å |
| 21 | L | 94.5 | Very high | 92.7 | Very high | 75 Ų | 75 | 47.7 Ų | 47.7 | 39% | 0.393 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -74.3 | -38.8 | 179.6 | -69.9 | 173.1 | 0 | 0 | 0 | 112.6 | E17 N18 R46 G49 V51 | E17-L21 WeakPolarHBondContact O-CB 3.29Å; E17-L21 VanDerWaalsContact O-CG 3.29Å; E17-L21 WeakPolarHBondContact O-CG 3.29Å; E17-L21 PolarHBondContact O-N 3.08Å; N18-L21 PolarHBondContact O-N 2.99Å; L21-R46 PolarHBondContact O-NH1 3.1Å; L21-G49 WeakPolarHBondContact CD2-O 3.38Å; L21-V51 HydrophobicContact CD2-CG2 4.14Å; L21-V51 HydrophobicContact CG-CG2 4.02Å |
| 22 | T | 90.9 | Very high | 93.1 | Very high | 109 Ų | 109 | 47.3 Ų | 47.3 | 67% | 0.669 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -86.8 | -35.8 | -176.8 | 57.9 | 0 | 0 | 0 | 0 | 114.1 | N18 | N18-T22 WeakPolarHBondContact O-CB 3.33Å; N18-T22 VanDerWaalsContact O-CG2 3.31Å; N18-T22 WeakPolarHBondContact O-CG2 3.14Å; N18-T22 PolarHBondContact O-N 2.87Å; N18-T22 PolarHBondContact O-OG1 2.82Å |
| 23 | R | 88.3 | Confident | 93 | Very high | 183 Ų | 183 | 46 Ų | 46 | 69% | 0.691 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -114.3 | -20.3 | -175 | -57.6 | -177.1 | -177 | -170.2 | -0.6 | 113.9 | L19 L102 | L19-R23 WeakPolarHBondContact O-CB 3.38Å; L19-R23 PolarHBondContact O-N 2.84Å; R23-L102 HydrophobicContact CB-CD1 4.36Å |
| 24 | G | 90.1 | Very high | 92.9 | Very high | 10 Ų | 10 | 45.3 Ų | 45.3 | 10% | 0.103 | 24% | 0.236 | C | C | . | . | trans | -87.9 | 175.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L19 L20 S28 R46 | L19-G24 PolarHBondContact O-N 3.3Å; L20-G24 CarbonylContact O-C 3.5Å; L20-G24 WeakPolarHBondContact O-CA 3.5Å; L20-G24 PolarHBondContact O-N 3.44Å; G24-S28 WeakPolarHBondContact CA-OG 3.2Å; G24-R46 PolarHBondContact O-NH1 2.86Å | ||
| 25 | V | 92.6 | Very high | 92.5 | Very high | 80 Ų | 80 | 47 Ų | 47 | 49% | 0.485 | 24% | 0.236 | S | C | . | . | trans | -128.5 | 174.3 | 167.9 | -64.2 | 0 | 0 | 0 | 0 | 108.9 | G27 S28 R46 Y100 | V25-G27 PolarHBondContact O-N 2.87Å; V25-S28 PolarHBondContact N-OG 2.81Å; V25-S28 WeakPolarHBondContact O-CA 3.38Å; V25-S28 WeakPolarHBondContact O-CB 3.22Å; V25-S28 PolarHBondContact O-N 2.84Å; V25-S28 PolarHBondContact O-OG 2.82Å; V25-S28 VanDerWaalsContact O-OG 3.12Å; V25-R46 WeakPolarHBondContact O-CD 3.38Å; V25-Y100 HydrophobicContact CG2-CD2 3.53Å; V25-Y100 HydrophobicContact CG2-CE2 3.78Å; V25-Y100 HydrophobicContact CG2-CG 4.37Å | ||
| 26 | D | 94.3 | Very high | 92.3 | Very high | 69 Ų | 69 | 48.1 Ų | 48.1 | 37% | 0.369 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 131.6 | 176 | -73.3 | 5.9 | 0 | 0 | 0 | 110.8 | R46 N48 G49 | D26-R46 WeakPolarHBondContact OD1-CG 3.4Å; D26-R46 IonicContact OD1-NE 3.11Å; D26-R46 PolarHBondContact OD1-NE 2.83Å; D26-R46 VanDerWaalsContact OD1-NE 3.11Å; D26-N48 VanDerWaalsContact OD2-CA 3.29Å; D26-N48 WeakPolarHBondContact OD2-CA 3.23Å; D26-N48 PolarHBondContact OD2-N 3.34Å; D26-G49 PolarHBondContact OD1-N 3.49Å; D26-G49 PolarHBondContact OD2-N 3.24Å |
| 27 | G | 91.9 | Very high | 91.9 | Very high | 6 Ų | 6 | 51.3 Ų | 51.3 | 6% | 0.062 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.9 | -3.3 | -167.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | V25 R46 K99 Y100 | V25-G27 PolarHBondContact O-N 2.87Å; G27-R46 PolarHBondContact N-O 3.48Å; G27-K99 PolarHBondContact O-N 3.42Å; G27-Y100 PolarHBondContact O-N 2.87Å |
| 28 | S | 95.1 | Very high | 91.3 | Very high | 7 Ų | 7 | 52.8 Ų | 52.8 | 5% | 0.049 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 140.7 | 169.6 | -71.9 | 0 | 0 | 0 | 0 | 111.3 | G24 V25 R46 Y100 | G24-S28 WeakPolarHBondContact CA-OG 3.2Å; V25-S28 PolarHBondContact N-OG 2.81Å; V25-S28 WeakPolarHBondContact O-CA 3.38Å; V25-S28 WeakPolarHBondContact O-CB 3.22Å; V25-S28 PolarHBondContact O-N 2.84Å; V25-S28 PolarHBondContact O-OG 2.82Å; V25-S28 VanDerWaalsContact O-OG 3.12Å; S28-R46 PolarHBondContact O-N 2.77Å; S28-Y100 CarbonylContact C-O 3.58Å; S28-Y100 WeakPolarHBondContact CA-O 3.41Å |
| 29 | F | 96.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 158.4 | 179.9 | 73.8 | -84.9 | 0 | 0 | 0 | 112.6 | M1 W6 L43 S44 V45 V78 M82 L98 Y100 P101 L102 | M1-F29 HydrophobicContact CE-CZ 4.38Å; W6-F29 HydrophobicContact CB-CE2 4.05Å; W6-F29 HydrophobicContact CD2-CE2 4.49Å; W6-F29 HydrophobicContact CG-CE2 4.17Å; F29-L43 HydrophobicContact CB-CD1 4.46Å; F29-L43 HydrophobicContact CD2-CD1 3.87Å; F29-S44 CarbonylContact C-O 3.51Å; F29-S44 VanDerWaalsContact CA-O 3.23Å; F29-S44 WeakPolarHBondContact CA-O 3.4Å; F29-V45 HydrophobicContact CB-CB 4.41Å; F29-V45 HydrophobicContact CB-CG1 4.25Å; F29-V45 HydrophobicContact CB-CG2 4.04Å; F29-V78 HydrophobicContact CE2-CG1 3.57Å; F29-V78 HydrophobicContact CE2-CG2 4.19Å; F29-V78 HydrophobicContact CZ-CG1 3.57Å; F29-M82 HydrophobicContact CE1-CE 4.37Å; F29-M82 HydrophobicContact CE1-CG 4.2Å; F29-M82 HydrophobicContact CE1-SD 3.63Å; F29-M82 HydrophobicContact CZ-CG 4.24Å; F29-M82 HydrophobicContact CZ-SD 3.44Å; F29-M82 WeakPolarHBondContact CZ-SD 3.39Å; F29-L98 HydrophobicContact CB-CD2 3.86Å; F29-L98 HydrophobicContact CD1-CB 3.84Å; F29-L98 HydrophobicContact CD1-CD2 4.2Å; F29-L98 HydrophobicContact CD2-CD2 4.42Å; F29-L98 HydrophobicContact CE1-CB 3.95Å; F29-L98 HydrophobicContact CG-CB 4.34Å; F29-L98 HydrophobicContact CG-CD2 3.9Å; F29-Y100 PolarHBondContact N-O 2.81Å; F29-P101 HydrophobicContact CE1-CB 4.08Å; F29-P101 HydrophobicContact CE2-CB 4.46Å; F29-P101 HydrophobicContact CZ-CB 3.82Å; F29-L102 PolarHBondContact O-N 3.05Å |
| 30 | L | 94.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 154.9 | 168.6 | 62.7 | 81.1 | 0 | 0 | 0 | 110.2 | W6 I11 A16 L20 R32 S44 L102 | W6-L30 WeakPolarHBondContact O-CA 3.43Å; I11-L30 HydrophobicContact CD1-CD1 3.8Å; I11-L30 HydrophobicContact CD1-CD2 4.06Å; A16-L30 HydrophobicContact CB-CD1 3.91Å; A16-L30 HydrophobicContact CB-CD2 4.3Å; L20-L30 HydrophobicContact CD1-CD2 4.38Å; L20-L30 HydrophobicContact CD1-CG 4.31Å; L20-L30 HydrophobicContact CD2-CD2 4.44Å; L20-L30 HydrophobicContact CG-CD2 4.09Å; L20-L30 HydrophobicContact CG-CG 4.44Å; L30-R32 HydrophobicContact CD1-CB 4.41Å; L30-R32 HydrophobicContact CD1-CG 4.31Å; L30-S44 PolarHBondContact N-O 2.92Å; L30-S44 PolarHBondContact O-N 3.39Å; L30-L102 HydrophobicContact CD2-CD2 4.16Å |
| 31 | A | 93.2 | Very high | 90.7 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 2% | 0.017 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 147.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | W6 F7 H8 T42 | W6-A31 HydrophobicContact CE3-CB 3.58Å; W6-A31 HydrophobicContact CZ3-CB 3.51Å; W6-A31 PolarHBondContact O-N 3.23Å; F7-A31 CarbonylContact C-O 3.46Å; F7-A31 WeakPolarHBondContact CA-O 3.32Å; F7-A31 HydrophobicContact CD2-CB 4Å; H8-A31 PolarHBondContact N-O 2.97Å; A31-T42 WeakPolarHBondContact CA-O 3.17Å |
| 32 | R | 92.4 | Very high | 90.7 | Very high | 16 Ų | 16 | 47.5 Ų | 47.5 | 6% | 0.06 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 157.2 | 178.7 | 58 | 177.4 | 178 | 73.4 | 0.6 | 110.6 | H8 I11 G13 L30 F41 T42 S44 H53 | H8-R32 WeakPolarHBondContact O-CA 3.36Å; H8-R32 WeakPolarHBondContact O-CB 3.36Å; I11-R32 HydrophobicContact CD1-CB 4.49Å; I11-R32 HydrophobicContact CG1-CB 3.99Å; G13-R32 VanDerWaalsContact CA-CZ 3.45Å; L30-R32 HydrophobicContact CD1-CB 4.41Å; L30-R32 HydrophobicContact CD1-CG 4.31Å; R32-F41 CarbonylContact O-C 3.53Å; R32-F41 WeakPolarHBondContact O-CA 3.1Å; R32-T42 PolarHBondContact N-O 3.21Å; R32-T42 PolarHBondContact O-N 3Å; R32-S44 PolarHBondContact NE-OG 3.23Å; R32-H53 PolarHBondContact NH2-ND1 2.9Å |
| 33 | P | 89.8 | Confident | 91 | Very high | 5 Ų | 5 | 42.3 Ų | 42.3 | 3% | 0.032 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 149.5 | 166.8 | -22.2 | 33.8 | 0 | 0 | 0 | 112 | F7 H8 P9 W248 | F7-P33 HydrophobicContact CZ-CG 3.9Å; H8-P33 WeakPolarHBondContact O-CD 2.89Å; P9-P33 WeakPolarHBondContact O-CG 3.3Å; P33-W248 HydrophobicContact CG-CH2 4.47Å; P33-W248 HydrophobicContact CG-CZ2 3.75Å |
| 34 | S | 90.4 | Very high | 91.4 | Very high | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | trans | -76.5 | 131.4 | 171.6 | -177.8 | 0 | 0 | 0 | 0 | 110.2 | S36 N37 D40 | S34-S36 PolarHBondContact OG-N 2.92Å; S34-S36 PolarHBondContact OG-OG 3.43Å; S34-N37 WeakPolarHBondContact CB-O 3.23Å; S34-N37 PolarHBondContact OG-N 2.65Å; S34-N37 VanDerWaalsContact OG-N 3.14Å; S34-D40 VanDerWaalsContact CB-O 3.23Å; S34-D40 WeakPolarHBondContact CB-O 3.19Å; S34-D40 PolarHBondContact N-O 3.38Å | ||
| 35 | K | 86.3 | Confident | 91.7 | Very high | 131 Ų | 131 | 33.1 Ų | 33.1 | 57% | 0.57 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -86.2 | -27.4 | 168.7 | -74 | -161.4 | 177.6 | -167 | 0 | 112.4 | T12 | T12-K35 HydrophobicContact CG2-CD 3.78Å; T12-K35 VanDerWaalsContact CG2-CE 3.48Å |
| 36 | S | 87.8 | Confident | 91.9 | Very high | 114 Ų | 114 | 31.5 Ų | 31.5 | 80% | 0.797 | 19% | 0.187 | S | C | * | . | S | Bend | trans | -81.4 | -23.9 | -178.2 | 56.2 | 0 | 0 | 0 | 0 | 113.5 | S34 | S34-S36 PolarHBondContact OG-N 2.92Å; S34-S36 PolarHBondContact OG-OG 3.43Å |
| 37 | N | 85.9 | Confident | 91.8 | Very high | 67 Ų | 67 | 30.3 Ų | 30.3 | 36% | 0.358 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -140.7 | 96.1 | 173.9 | -165.1 | 27.3 | 0 | 0 | 0 | 109.8 | S34 G39 D40 | S34-N37 WeakPolarHBondContact CB-O 3.23Å; S34-N37 PolarHBondContact OG-N 2.65Å; S34-N37 VanDerWaalsContact OG-N 3.14Å; N37-G39 PolarHBondContact O-N 3.45Å; N37-D40 HydrophobicContact CB-CB 4.37Å; N37-D40 PolarHBondContact ND2-OD2 3.01Å; N37-D40 WeakPolarHBondContact O-CB 3.17Å; N37-D40 PolarHBondContact O-N 3.08Å; N37-D40 VanDerWaalsContact O-N 3.15Å |
| 38 | P | 84.1 | Confident | 91.8 | Very high | 105 Ų | 105 | 36.4 Ų | 36.4 | 68% | 0.682 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53 | 137.9 | 177.4 | -26.9 | 35.6 | 0 | 0 | 0 | 112.2 | D40 | P38-D40 VanDerWaalsContact C-N 3.35Š|
| 39 | G | 81.6 | Confident | 91.6 | Very high | 53 Ų | 53 | 38 Ų | 38 | 55% | 0.546 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 92.9 | -22.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | N37 | N37-G39 PolarHBondContact O-N 3.45Š|
| 40 | D | 90.6 | Very high | 91.4 | Very high | 11 Ų | 11 | 40.7 Ų | 40.7 | 6% | 0.059 | 25% | 0.249 | C | C | . | . | trans | -88.7 | 167.1 | 171.9 | -72.9 | -17.4 | 0 | 0 | 0 | 111.8 | S34 N37 P38 K55 I56 Q57 N58 | S34-D40 VanDerWaalsContact CB-O 3.23Å; S34-D40 WeakPolarHBondContact CB-O 3.19Å; S34-D40 PolarHBondContact N-O 3.38Å; N37-D40 HydrophobicContact CB-CB 4.37Å; N37-D40 PolarHBondContact ND2-OD2 3.01Å; N37-D40 WeakPolarHBondContact O-CB 3.17Å; N37-D40 PolarHBondContact O-N 3.08Å; N37-D40 VanDerWaalsContact O-N 3.15Å; P38-D40 VanDerWaalsContact C-N 3.35Å; D40-K55 WeakPolarHBondContact OD2-CE 3.38Å; D40-K55 IonicContact OD2-NZ 3.68Å; D40-K55 PolarHBondContact OD2-NZ 3.44Å; D40-I56 WeakPolarHBondContact CB-O 3.38Å; D40-Q57 WeakPolarHBondContact OD1-CA 3.38Å; D40-N58 PolarHBondContact OD1-N 3.5Å | ||
| 41 | F | 93.2 | Very high | 91.5 | Very high | 14 Ų | 14 | 41.9 Ų | 41.9 | 6% | 0.061 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 167.7 | 177.2 | -55.1 | -94.2 | 0 | 0 | 0 | 110.9 | F7 R32 I56 N58 Y63 L74 | F7-F41 AromaticContact CE2-CD1 3.83Å; F7-F41 HydrophobicContact CE2-CD1 3.83Å; F7-F41 HydrophobicContact CE2-CE1 4.03Å; F7-F41 HydrophobicContact CZ-CD1 4.14Å; F7-F41 AromaticContact CZ-CE1 3.97Å; F7-F41 HydrophobicContact CZ-CE1 3.97Å; R32-F41 CarbonylContact O-C 3.53Å; R32-F41 WeakPolarHBondContact O-CA 3.1Å; F41-I56 HydrophobicContact CB-CB 4.03Å; F41-I56 HydrophobicContact CB-CD1 4.49Å; F41-I56 HydrophobicContact CB-CG2 4.44Å; F41-I56 PolarHBondContact N-O 2.91Å; F41-I56 PolarHBondContact O-N 3.18Å; F41-N58 HydrophobicContact CE2-CB 4.44Å; F41-Y63 HydrophobicContact CD2-CD1 4.26Å; F41-Y63 AromaticContact CD2-CE1 3.93Å; F41-Y63 HydrophobicContact CD2-CE1 3.93Å; F41-Y63 HydrophobicContact CE2-CD1 4.35Å; F41-Y63 AromaticContact CE2-CE1 3.61Å; F41-Y63 HydrophobicContact CE2-CE1 3.61Å; F41-Y63 HydrophobicContact CZ-CE1 4.27Å; F41-L74 HydrophobicContact CD1-CD1 3.9Å; F41-L74 HydrophobicContact CD2-CD1 4.47Å; F41-L74 HydrophobicContact CE1-CD1 4.12Å; F41-L74 HydrophobicContact CG-CD1 4.07Å |
| 42 | T | 95.8 | Very high | 91.5 | Very high | 12 Ų | 12 | 43.1 Ų | 43.1 | 7% | 0.074 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 126.6 | 177.1 | -53.6 | 0 | 0 | 0 | 0 | 109.8 | A31 R32 H53 I54 | A31-T42 WeakPolarHBondContact CA-O 3.17Å; R32-T42 PolarHBondContact N-O 3.21Å; R32-T42 PolarHBondContact O-N 3Å; T42-H53 HydrophobicContact CG2-CB 3.77Å; T42-I54 WeakPolarHBondContact CA-O 3.44Å |
| 43 | L | 96.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 116.7 | 168.6 | 179.1 | 63.1 | 0 | 0 | 0 | 108.3 | F29 V45 I54 I56 L65 L77 L88 L98 | F29-L43 HydrophobicContact CB-CD1 4.46Å; F29-L43 HydrophobicContact CD2-CD1 3.87Å; L43-V45 HydrophobicContact CD1-CG2 4.43Å; L43-V45 HydrophobicContact CD2-CG2 4.36Å; L43-V45 HydrophobicContact CG-CG2 3.89Å; L43-I54 HydrophobicContact CB-CB 4.36Å; L43-I54 HydrophobicContact CD2-CD1 4.12Å; L43-I54 HydrophobicContact CG-CD1 4.41Å; L43-I54 PolarHBondContact N-O 3.32Å; L43-I54 PolarHBondContact O-N 2.99Å; L43-I56 HydrophobicContact CB-CD1 3.92Å; L43-L65 HydrophobicContact CD2-CD1 4.42Å; L43-L77 HydrophobicContact CD2-CD2 4.47Å; L43-L88 HydrophobicContact CD2-CD2 4.24Å; L43-L98 HydrophobicContact CD2-CD1 4.08Å; L43-L98 HydrophobicContact CD2-CD2 4.16Å |
| 44 | S | 96.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 124.7 | 179.7 | -49.2 | 0 | 0 | 0 | 0 | 108.6 | F29 L30 R32 T52 H53 | F29-S44 CarbonylContact C-O 3.51Å; F29-S44 VanDerWaalsContact CA-O 3.23Å; F29-S44 WeakPolarHBondContact CA-O 3.4Å; L30-S44 PolarHBondContact N-O 2.92Å; L30-S44 PolarHBondContact O-N 3.39Å; R32-S44 PolarHBondContact NE-OG 3.23Å; S44-T52 WeakPolarHBondContact CA-O 3.34Å; S44-H53 WeakPolarHBondContact CB-ND1 3.23Å; S44-H53 PolarHBondContact OG-CE1 3.37Å; S44-H53 PolarHBondContact OG-ND1 3.05Å |
| 45 | V | 96.3 | Very high | 91.9 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.006 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 130.5 | -172.9 | -169.1 | 0 | 0 | 0 | 0 | 109.8 | F29 L43 V51 T52 I54 I96 L98 | F29-V45 HydrophobicContact CB-CB 4.41Å; F29-V45 HydrophobicContact CB-CG1 4.25Å; F29-V45 HydrophobicContact CB-CG2 4.04Å; L43-V45 HydrophobicContact CD1-CG2 4.43Å; L43-V45 HydrophobicContact CD2-CG2 4.36Å; L43-V45 HydrophobicContact CG-CG2 3.89Å; V45-V51 CarbonylContact O-C 3.6Å; V45-V51 WeakPolarHBondContact O-CA 3.41Å; V45-T52 PolarHBondContact N-O 2.89Å; V45-T52 PolarHBondContact O-N 2.87Å; V45-I54 HydrophobicContact CG2-CD1 4.15Å; V45-I96 HydrophobicContact CB-CG2 3.91Å; V45-I96 HydrophobicContact CG1-CG2 3.69Å; V45-I96 HydrophobicContact CG2-CG2 3.97Å; V45-L98 HydrophobicContact CB-CD2 4.47Å; V45-L98 HydrophobicContact CG1-CD2 4.03Å; V45-L98 HydrophobicContact CG2-CD2 3.55Å |
| 46 | R | 96.4 | Very high | 92.3 | Very high | 45 Ų | 45 | 43.4 Ų | 43.4 | 17% | 0.17 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 128.3 | 172.2 | -179.8 | 172.6 | 166 | 161.2 | 6 | 110.5 | L20 L21 G24 V25 D26 G27 S28 A50 V51 | L20-R46 HydrophobicContact CB-CB 4.31Å; L20-R46 HydrophobicContact CD2-CB 4.38Å; L20-R46 WeakPolarHBondContact O-CD 3.46Å; L20-R46 PolarHBondContact O-NH1 2.84Å; L21-R46 PolarHBondContact O-NH1 3.1Å; G24-R46 PolarHBondContact O-NH1 2.86Å; V25-R46 WeakPolarHBondContact O-CD 3.38Å; D26-R46 WeakPolarHBondContact OD1-CG 3.4Å; D26-R46 IonicContact OD1-NE 3.11Å; D26-R46 PolarHBondContact OD1-NE 2.83Å; D26-R46 VanDerWaalsContact OD1-NE 3.11Å; G27-R46 PolarHBondContact N-O 3.48Å; S28-R46 PolarHBondContact O-N 2.77Å; R46-A50 CarbonylContact C-O 3.51Å; R46-A50 VanDerWaalsContact CA-O 3.29Å; R46-A50 WeakPolarHBondContact CA-O 3.3Å; R46-V51 HydrophobicContact CB-CG2 4.45Å |
| 47 | R | 92.3 | Very high | 92.5 | Very high | 44 Ų | 44 | 41.5 Ų | 41.5 | 17% | 0.166 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 141.9 | 174.6 | 69.1 | 178.6 | -166.1 | 111.4 | -1.1 | 110.4 | G49 A50 T52 E90 D94 | R47-G49 PolarHBondContact O-N 2.99Å; R47-G49 VanDerWaalsContact O-N 3.16Å; R47-A50 PolarHBondContact N-O 3.11Å; R47-A50 CarbonylContact O-C 3.55Å; R47-A50 PolarHBondContact O-N 2.86Å; R47-T52 PolarHBondContact NE-OG1 2.72Å; R47-E90 IonicContact CZ-OE1 3.42Å; R47-E90 VanDerWaalsContact CZ-OE1 3.27Å; R47-E90 IonicContact CZ-OE2 2.86Å; R47-E90 IonicContact NE-OE1 2.78Å; R47-E90 PolarHBondContact NE-OE1 3.32Å; R47-E90 VanDerWaalsContact NE-OE1 3.11Å; R47-E90 IonicContact NH2-OE1 3.11Å; R47-E90 PolarHBondContact NH2-OE1 3.03Å; R47-E90 IonicContact NH2-OE2 2.96Å; R47-E90 PolarHBondContact NH2-OE2 2.99Å; R47-D94 IonicContact CZ-OD2 2.71Å; R47-D94 IonicContact NH1-OD2 3.6Å; R47-D94 PolarHBondContact NH1-OD2 2.87Å; R47-D94 VanDerWaalsContact NH1-OD2 3.08Å; R47-D94 IonicContact NH2-OD2 2.77Å; R47-D94 PolarHBondContact NH2-OD2 2.79Å |
| 48 | N | 91.5 | Very high | 92.6 | Very high | 134 Ų | 134 | 38.7 Ų | 38.7 | 72% | 0.717 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 39.5 | 177.4 | -58.6 | -19.8 | 0 | 0 | 0 | 112.8 | D26 A50 | D26-N48 VanDerWaalsContact OD2-CA 3.29Å; D26-N48 WeakPolarHBondContact OD2-CA 3.23Å; D26-N48 PolarHBondContact OD2-N 3.34Å; N48-A50 PolarHBondContact O-N 3.36Å |
| 49 | G | 90.7 | Very high | 92.2 | Very high | 42 Ų | 42 | 36 Ų | 36 | 43% | 0.433 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | 4.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | L21 D26 R47 | L21-G49 WeakPolarHBondContact CD2-O 3.38Å; D26-G49 PolarHBondContact OD1-N 3.49Å; D26-G49 PolarHBondContact OD2-N 3.24Å; R47-G49 PolarHBondContact O-N 2.99Å; R47-G49 VanDerWaalsContact O-N 3.16Å |
| 50 | A | 93.9 | Very high | 92.2 | Very high | 55 Ų | 55 | 33.6 Ų | 33.6 | 46% | 0.455 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 169.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | R46 R47 N48 | R46-A50 CarbonylContact C-O 3.51Å; R46-A50 VanDerWaalsContact CA-O 3.29Å; R46-A50 WeakPolarHBondContact CA-O 3.3Å; R47-A50 PolarHBondContact N-O 3.11Å; R47-A50 CarbonylContact O-C 3.55Å; R47-A50 PolarHBondContact O-N 2.86Å; N48-A50 PolarHBondContact O-N 3.36Å |
| 51 | V | 95.7 | Very high | 91.8 | Very high | 26 Ų | 26 | 33.2 Ų | 33.2 | 16% | 0.158 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 127 | 178.5 | 177.3 | 0 | 0 | 0 | 0 | 110 | E17 L20 L21 V45 R46 | E17-V51 HydrophobicContact CG-CB 4.01Å; E17-V51 HydrophobicContact CG-CG1 3.93Å; L20-V51 HydrophobicContact CB-CG2 3.83Å; L20-V51 HydrophobicContact CD1-CG1 3.71Å; L20-V51 HydrophobicContact CD1-CG2 4.16Å; L21-V51 HydrophobicContact CD2-CG2 4.14Å; L21-V51 HydrophobicContact CG-CG2 4.02Å; V45-V51 CarbonylContact O-C 3.6Å; V45-V51 WeakPolarHBondContact O-CA 3.41Å; R46-V51 HydrophobicContact CB-CG2 4.45Å |
| 52 | T | 93.7 | Very high | 91.6 | Very high | 28 Ų | 28 | 33.3 Ų | 33.3 | 17% | 0.172 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 139.8 | 171.8 | -64.9 | 0 | 0 | 0 | 0 | 109.6 | S44 V45 R47 I54 E90 I96 | S44-T52 WeakPolarHBondContact CA-O 3.34Å; V45-T52 PolarHBondContact N-O 2.89Å; V45-T52 PolarHBondContact O-N 2.87Å; R47-T52 PolarHBondContact NE-OG1 2.72Å; T52-I54 HydrophobicContact CG2-CG1 4.12Å; T52-E90 WeakPolarHBondContact CG2-OE1 3.45Å; T52-E90 PolarHBondContact OG1-OE1 3.03Å; T52-I96 HydrophobicContact CG2-CD1 4.41Å |
| 53 | H | 94.3 | Very high | 91.4 | Very high | 67 Ų | 67 | 32.8 Ų | 32.8 | 31% | 0.31 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 123.3 | 171.8 | -64 | -62.6 | 0 | 0 | 0 | 111.5 | E17 R32 T42 S44 | E17-H53 WeakPolarHBondContact CG-NE2 3.36Å; E17-H53 IonicContact OE1-CD2 3.75Å; E17-H53 IonicContact OE1-NE2 2.97Å; E17-H53 PolarHBondContact OE1-NE2 3.45Å; R32-H53 PolarHBondContact NH2-ND1 2.9Å; T42-H53 HydrophobicContact CG2-CB 3.77Å; S44-H53 WeakPolarHBondContact CB-ND1 3.23Å; S44-H53 PolarHBondContact OG-CE1 3.37Å; S44-H53 PolarHBondContact OG-ND1 3.05Å |
| 54 | I | 93.3 | Very high | 91.2 | Very high | 14 Ų | 14 | 34.8 Ų | 34.8 | 7% | 0.072 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 125.2 | -179 | -47.8 | 156.7 | 0 | 0 | 0 | 108.5 | T42 L43 V45 T52 L65 L88 I96 | T42-I54 WeakPolarHBondContact CA-O 3.44Å; L43-I54 HydrophobicContact CB-CB 4.36Å; L43-I54 HydrophobicContact CD2-CD1 4.12Å; L43-I54 HydrophobicContact CG-CD1 4.41Å; L43-I54 PolarHBondContact N-O 3.32Å; L43-I54 PolarHBondContact O-N 2.99Å; V45-I54 HydrophobicContact CG2-CD1 4.15Å; T52-I54 HydrophobicContact CG2-CG1 4.12Å; I54-L65 HydrophobicContact CB-CD1 4.33Å; I54-L65 HydrophobicContact CG2-CD1 3.58Å; I54-L65 HydrophobicContact CG2-CG 4.19Å; I54-L88 HydrophobicContact CD1-CD2 3.89Å; I54-L88 HydrophobicContact CD1-CG 4.41Å; I54-I96 HydrophobicContact CD1-CD1 3.47Å; I54-I96 VanDerWaalsContact CD1-CD1 3.47Å; I54-I96 HydrophobicContact CD1-CG2 4.34Å; I54-I96 HydrophobicContact CG1-CD1 4Å |
| 55 | K | 94.2 | Very high | 90.9 | Very high | 79 Ų | 79 | 34.8 Ų | 34.8 | 34% | 0.343 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 135.5 | -179.5 | -168.9 | 176.4 | -175.1 | -170.4 | 0 | 110.6 | D40 Q57 Y66 | D40-K55 WeakPolarHBondContact OD2-CE 3.38Å; D40-K55 IonicContact OD2-NZ 3.68Å; D40-K55 PolarHBondContact OD2-NZ 3.44Å; K55-Q57 HydrophobicContact CD-CG 4.22Å; K55-Q57 HydrophobicContact CG-CG 4.25Å; K55-Y66 WeakPolarHBondContact O-CB 3.39Å; K55-Y66 PolarHBondContact O-N 3.36Å |
| 56 | I | 94 | Very high | 90.4 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 119.3 | 169.6 | -62.4 | 162.4 | 0 | 0 | 0 | 107.3 | D40 F41 L43 Y63 D64 L65 L74 L77 | D40-I56 WeakPolarHBondContact CB-O 3.38Å; F41-I56 HydrophobicContact CB-CB 4.03Å; F41-I56 HydrophobicContact CB-CD1 4.49Å; F41-I56 HydrophobicContact CB-CG2 4.44Å; F41-I56 PolarHBondContact N-O 2.91Å; F41-I56 PolarHBondContact O-N 3.18Å; L43-I56 HydrophobicContact CB-CD1 3.92Å; I56-Y63 HydrophobicContact CG2-CD1 4.02Å; I56-D64 CarbonylContact C-O 3.56Å; I56-D64 WeakPolarHBondContact CA-O 3.41Å; I56-L65 HydrophobicContact CD1-CD1 4.07Å; I56-L65 HydrophobicContact CG1-CD1 3.36Å; I56-L74 HydrophobicContact CD1-CD2 3.92Å; I56-L74 HydrophobicContact CG2-CD2 4.05Å; I56-L77 HydrophobicContact CD1-CD1 4.1Å; I56-L77 HydrophobicContact CG1-CD1 4.3Å; I56-L77 HydrophobicContact CG2-CD1 4.41Å |
| 57 | Q | 92.3 | Very high | 89.4 | Confident | 73 Ų | 73 | 41.2 Ų | 41.2 | 34% | 0.341 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 139.7 | 177.8 | -55.7 | -162.2 | -80.6 | 0 | 0 | 110.5 | D40 K55 D64 | D40-Q57 WeakPolarHBondContact OD1-CA 3.38Å; K55-Q57 HydrophobicContact CD-CG 4.22Å; K55-Q57 HydrophobicContact CG-CG 4.25Å; Q57-D64 HydrophobicContact CB-CB 4.45Å; Q57-D64 PolarHBondContact N-O 3.43Å; Q57-D64 PolarHBondContact O-N 3.21Å |
| 58 | N | 87.4 | Confident | 89 | Confident | 9 Ų | 9 | 40.6 Ų | 40.6 | 5% | 0.048 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 106.7 | 169.2 | -175.2 | -8.8 | 0 | 0 | 0 | 109.8 | D40 F41 G60 Y62 Y63 Q510 T511 | D40-N58 PolarHBondContact OD1-N 3.5Å; F41-N58 HydrophobicContact CE2-CB 4.44Å; N58-G60 PolarHBondContact OD1-N 2.84Å; N58-Y62 PolarHBondContact OD1-O 3.01Å; N58-Y63 HydrophobicContact CB-CD1 3.99Å; N58-Y63 HydrophobicContact CB-CE1 4.11Å; N58-Y63 VanDerWaalsContact ND2-CE1 3.29Å; N58-Y63 WeakPolarHBondContact ND2-CE1 2.96Å; N58-Y63 WeakPolarHBondContact ND2-CE2 3.28Å; N58-Y63 PolarHBondContact ND2-OH 2.93Å; N58-Q510 PolarHBondContact ND2-O 2.94Å; N58-T511 HydrophobicContact CB-CG2 4.46Å; N58-T511 WeakPolarHBondContact OD1-CG2 3.42Å |
| 59 | T | 77.4 | Confident | 89 | Confident | 47 Ų | 47 | 37.2 Ų | 37.2 | 29% | 0.288 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -96.7 | 4.6 | -178.3 | 62.7 | 0 | 0 | 0 | 0 | 113.5 | H430 G431 | T59-H430 WeakPolarHBondContact CB-ND1 3.44Å; T59-H430 WeakPolarHBondContact CG2-ND1 3.49Å; T59-G431 PolarHBondContact O-N 3.1Å |
| 60 | G | 80.3 | Confident | 89.2 | Confident | 3 Ų | 3 | 38.2 Ų | 38.2 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | S | Bend | trans | 113.3 | -8.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | N58 G468 Q510 Q514 | N58-G60 PolarHBondContact OD1-N 2.84Å; G60-G468 VanDerWaalsContact O-CA 3.26Å; G60-G468 WeakPolarHBondContact O-CA 3.49Å; G60-Q510 WeakPolarHBondContact O-CB 3.28Å; G60-Q514 PolarHBondContact O-NE2 3.11Å |
| 61 | D | 81.5 | Confident | 89.2 | Confident | 3 Ų | 3 | 35.7 Ų | 35.7 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -101.1 | -39.3 | -179.8 | -73.7 | -26.2 | 0 | 0 | 0 | 113.2 | K366 I467 | D61-K366 IonicContact OD2-NZ 3.17Å; D61-K366 PolarHBondContact OD2-NZ 2.94Å; D61-I467 WeakPolarHBondContact O-CD1 3.39Å; D61-I467 VanDerWaalsContact O-CG1 3.31Å; D61-I467 WeakPolarHBondContact O-CG1 3.29Å |
| 62 | Y | 90.2 | Very high | 89 | Confident | 16 Ų | 16 | 34.5 Ų | 34.5 | 6% | 0.063 | 19% | 0.186 | C | C | . | . | trans | -171.8 | 168.5 | -174.4 | 45.9 | -103.7 | 0 | 0 | 0 | 110.4 | N58 D64 K70 F71 Y279 I282 A465 Q510 | N58-Y62 PolarHBondContact OD1-O 3.01Å; Y62-D64 HydrophobicContact CD2-CB 4.12Å; Y62-D64 HydrophobicContact CE2-CB 3.98Å; Y62-K70 HydrophobicContact CD2-CB 3.86Å; Y62-K70 HydrophobicContact CD2-CD 3.82Å; Y62-K70 HydrophobicContact CD2-CG 3.64Å; Y62-K70 HydrophobicContact CE1-CD 4.21Å; Y62-K70 HydrophobicContact CE2-CB 4.32Å; Y62-K70 HydrophobicContact CE2-CD 3.41Å; Y62-K70 VanDerWaalsContact CE2-CD 3.41Å; Y62-K70 HydrophobicContact CE2-CG 3.63Å; Y62-K70 HydrophobicContact CG-CB 4.19Å; Y62-K70 HydrophobicContact CG-CD 4.39Å; Y62-K70 HydrophobicContact CG-CG 4.38Å; Y62-F71 WeakPolarHBondContact CB-O 3.43Å; Y62-Y279 HydrophobicContact CD1-CD2 4.46Å; Y62-Y279 HydrophobicContact CD1-CE1 4.12Å; Y62-Y279 HydrophobicContact CD1-CE2 4.06Å; Y62-Y279 AromaticContact CD1-CZ 3.87Å; Y62-Y279 HydrophobicContact CE1-CD1 4.37Å; Y62-Y279 AromaticContact CE1-CE1 3.58Å; Y62-Y279 HydrophobicContact CE1-CE1 3.58Å; Y62-Y279 HydrophobicContact CE1-CE2 4.01Å; Y62-Y279 AromaticContact CE1-CZ 3.37Å; Y62-Y279 WeakPolarHBondContact CE1-OH 3.3Å; Y62-I282 HydrophobicContact CD1-CD1 4.34Å; Y62-I282 HydrophobicContact CG-CD1 4.25Å; Y62-A465 HydrophobicContact CD1-CB 4.36Å; Y62-Q510 VanDerWaalsContact CA-OE1 3.22Å | ||
| 63 | Y | 90.9 | Very high | 88.8 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 0% | 0.004 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 116.6 | 169 | -65.3 | -94.2 | 0 | 0 | 0 | 110.2 | F41 I56 N58 K70 F71 A72 L74 Q255 Q510 | F41-Y63 HydrophobicContact CD2-CD1 4.26Å; F41-Y63 AromaticContact CD2-CE1 3.93Å; F41-Y63 HydrophobicContact CD2-CE1 3.93Å; F41-Y63 HydrophobicContact CE2-CD1 4.35Å; F41-Y63 AromaticContact CE2-CE1 3.61Å; F41-Y63 HydrophobicContact CE2-CE1 3.61Å; F41-Y63 HydrophobicContact CZ-CE1 4.27Å; I56-Y63 HydrophobicContact CG2-CD1 4.02Å; N58-Y63 HydrophobicContact CB-CD1 3.99Å; N58-Y63 HydrophobicContact CB-CE1 4.11Å; N58-Y63 VanDerWaalsContact ND2-CE1 3.29Å; N58-Y63 WeakPolarHBondContact ND2-CE1 2.96Å; N58-Y63 WeakPolarHBondContact ND2-CE2 3.28Å; N58-Y63 PolarHBondContact ND2-OH 2.93Å; Y63-K70 CarbonylContact O-C 3.58Å; Y63-K70 VanDerWaalsContact O-CA 3.3Å; Y63-K70 WeakPolarHBondContact O-CA 3.44Å; Y63-F71 PolarHBondContact N-O 2.83Å; Y63-F71 PolarHBondContact O-N 3.41Å; Y63-A72 WeakPolarHBondContact CE2-O 3.39Å; Y63-L74 HydrophobicContact CD1-CD2 3.5Å; Y63-L74 VanDerWaalsContact CD1-CD2 3.5Å; Y63-L74 HydrophobicContact CD1-CG 3.72Å; Y63-L74 HydrophobicContact CE1-CD1 4.06Å; Y63-L74 HydrophobicContact CE1-CD2 3.87Å; Y63-L74 HydrophobicContact CE1-CG 3.57Å; Y63-L74 HydrophobicContact CG-CD2 4.17Å; Y63-L74 HydrophobicContact CG-CG 4.41Å; Y63-Q255 PolarHBondContact OH-NE2 2.91Å; Y63-Q510 PolarHBondContact OH-O 2.88Å |
| 64 | D | 92.5 | Very high | 88.6 | Confident | 42 Ų | 42 | 30.5 Ų | 30.5 | 23% | 0.225 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 107.3 | -178.6 | -159.9 | -14.5 | 0 | 0 | 0 | 109.8 | I56 Q57 Y62 K70 | I56-D64 CarbonylContact C-O 3.56Å; I56-D64 WeakPolarHBondContact CA-O 3.41Å; Q57-D64 HydrophobicContact CB-CB 4.45Å; Q57-D64 PolarHBondContact N-O 3.43Å; Q57-D64 PolarHBondContact O-N 3.21Å; Y62-D64 HydrophobicContact CD2-CB 4.12Å; Y62-D64 HydrophobicContact CE2-CB 3.98Å; D64-K70 HydrophobicContact CB-CG 4.35Å; D64-K70 WeakPolarHBondContact OD2-CE 3.34Å |
| 65 | L | 90.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 123.7 | 177.1 | -174.8 | 66.2 | 0 | 0 | 0 | 109.5 | L43 I54 I56 G67 G68 E69 L77 Y81 L88 | L43-L65 HydrophobicContact CD2-CD1 4.42Å; I54-L65 HydrophobicContact CB-CD1 4.33Å; I54-L65 HydrophobicContact CG2-CD1 3.58Å; I54-L65 HydrophobicContact CG2-CG 4.19Å; I56-L65 HydrophobicContact CD1-CD1 4.07Å; I56-L65 HydrophobicContact CG1-CD1 3.36Å; L65-G67 PolarHBondContact O-N 3Å; L65-G67 VanDerWaalsContact O-N 3.17Å; L65-G68 WeakPolarHBondContact O-CA 3.38Å; L65-G68 PolarHBondContact O-N 3.18Å; L65-E69 PolarHBondContact N-O 3.49Å; L65-L77 HydrophobicContact CB-CD1 4.07Å; L65-L77 HydrophobicContact CD1-CD1 4.45Å; L65-L77 HydrophobicContact CD2-CD2 4.37Å; L65-Y81 HydrophobicContact CD2-CD2 3.9Å; L65-Y81 HydrophobicContact CD2-CE2 3.24Å; L65-L88 HydrophobicContact CD2-CD1 3.41Å; L65-L88 VanDerWaalsContact CD2-CD1 3.41Å; L65-L88 HydrophobicContact CG-CD1 4.26Å |
| 66 | Y | 85.3 | Confident | 88.1 | Confident | 124 Ų | 124 | 26.5 Ų | 26.5 | 49% | 0.486 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 121.3 | 179.9 | -171.2 | -93.6 | 0 | 0 | 0 | 111.4 | K55 G68 K91 | K55-Y66 WeakPolarHBondContact O-CB 3.39Å; K55-Y66 PolarHBondContact O-N 3.36Å; Y66-G68 VanDerWaalsContact C-N 3.27Å; Y66-K91 VanDerWaalsContact CE1-CE 3.44Å; Y66-K91 HydrophobicContact CE1-CG 4.41Å; Y66-K91 WeakPolarHBondContact OH-CE 3.31Å; Y66-K91 PolarHBondContact OH-NZ 2.77Å; Y66-K91 VanDerWaalsContact OH-NZ 3.13Å |
| 67 | G | 76.1 | Confident | 88 | Confident | 58 Ų | 58 | 26.5 Ų | 26.5 | 60% | 0.598 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.1 | 8.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | L65 | L65-G67 PolarHBondContact O-N 3Å; L65-G67 VanDerWaalsContact O-N 3.17Å |
| 68 | G | 84.6 | Confident | 87.9 | Confident | 30 Ų | 30 | 23.1 Ų | 23.1 | 31% | 0.309 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -126.8 | -148.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L65 Y66 Y81 | L65-G68 WeakPolarHBondContact O-CA 3.38Å; L65-G68 PolarHBondContact O-N 3.18Å; Y66-G68 VanDerWaalsContact C-N 3.27Å; G68-Y81 VanDerWaalsContact CA-OH 3.26Å; G68-Y81 WeakPolarHBondContact CA-OH 3.43Å |
| 69 | E | 90.9 | Very high | 88 | Confident | 63 Ų | 63 | 24.4 Ų | 24.4 | 29% | 0.294 | 14% | 0.139 | S | C | . | . | trans | -107.5 | 175.6 | -177 | -63.3 | -87 | -163.6 | 0 | 0 | 111.1 | L65 F71 Y81 K280 N281 | L65-E69 PolarHBondContact N-O 3.49Å; E69-F71 HydrophobicContact CB-CE2 3.73Å; E69-F71 HydrophobicContact CB-CZ 3.84Å; E69-F71 WeakPolarHBondContact O-CD2 3.36Å; E69-F71 WeakPolarHBondContact O-CE2 3.41Å; E69-Y81 PolarHBondContact N-OH 2.77Å; E69-K280 IonicContact OE1-NZ 3.08Å; E69-K280 PolarHBondContact OE1-NZ 2.87Å; E69-N281 VanDerWaalsContact CB-ND2 3.28Å; E69-N281 WeakPolarHBondContact CB-ND2 3.19Å | ||
| 70 | K | 93.9 | Very high | 88.7 | Confident | 64 Ų | 64 | 23.5 Ų | 23.5 | 28% | 0.278 | 13% | 0.13 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 139.6 | 178.8 | -65.2 | 162 | -176.9 | 133.7 | 0 | 111.4 | Y62 Y63 D64 Y279 N281 | Y62-K70 HydrophobicContact CD2-CB 3.86Å; Y62-K70 HydrophobicContact CD2-CD 3.82Å; Y62-K70 HydrophobicContact CD2-CG 3.64Å; Y62-K70 HydrophobicContact CE1-CD 4.21Å; Y62-K70 HydrophobicContact CE2-CB 4.32Å; Y62-K70 HydrophobicContact CE2-CD 3.41Å; Y62-K70 VanDerWaalsContact CE2-CD 3.41Å; Y62-K70 HydrophobicContact CE2-CG 3.63Å; Y62-K70 HydrophobicContact CG-CB 4.19Å; Y62-K70 HydrophobicContact CG-CD 4.39Å; Y62-K70 HydrophobicContact CG-CG 4.38Å; Y63-K70 CarbonylContact O-C 3.58Å; Y63-K70 VanDerWaalsContact O-CA 3.3Å; Y63-K70 WeakPolarHBondContact O-CA 3.44Å; D64-K70 HydrophobicContact CB-CG 4.35Å; D64-K70 WeakPolarHBondContact OD2-CE 3.34Å; K70-Y279 HydrophobicContact CB-CD1 4.42Å; K70-Y279 HydrophobicContact CD-CD1 3.58Å; K70-Y279 HydrophobicContact CD-CE1 3.72Å; K70-N281 WeakPolarHBondContact O-CB 3.43Å |
| 71 | F | 93.7 | Very high | 89.3 | Confident | 2 Ų | 2 | 23.7 Ų | 23.7 | 1% | 0.009 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 156.3 | -173.6 | -61.5 | -88.7 | 0 | 0 | 0 | 112.6 | Y62 Y63 E69 L77 Y80 Y81 N281 | Y62-F71 WeakPolarHBondContact CB-O 3.43Å; Y63-F71 PolarHBondContact N-O 2.83Å; Y63-F71 PolarHBondContact O-N 3.41Å; E69-F71 HydrophobicContact CB-CE2 3.73Å; E69-F71 HydrophobicContact CB-CZ 3.84Å; E69-F71 WeakPolarHBondContact O-CD2 3.36Å; E69-F71 WeakPolarHBondContact O-CE2 3.41Å; F71-L77 HydrophobicContact CB-CB 3.97Å; F71-L77 HydrophobicContact CD1-CB 4.23Å; F71-L77 HydrophobicContact CD2-CB 3.69Å; F71-L77 HydrophobicContact CD2-CD1 3.87Å; F71-L77 HydrophobicContact CD2-CG 3.68Å; F71-L77 HydrophobicContact CE2-CB 4.24Å; F71-L77 HydrophobicContact CE2-CD1 4.4Å; F71-L77 HydrophobicContact CE2-CG 3.93Å; F71-L77 HydrophobicContact CG-CB 3.68Å; F71-L77 HydrophobicContact CG-CG 4.22Å; F71-Y80 VanDerWaalsContact CE1-CB 3.45Å; F71-Y80 AromaticContact CE1-CD1 3.78Å; F71-Y80 HydrophobicContact CE1-CD1 3.78Å; F71-Y80 HydrophobicContact CE1-CD2 4.13Å; F71-Y80 AromaticContact CE1-CG 3.52Å; F71-Y80 HydrophobicContact CE1-CG 3.52Å; F71-Y80 AromaticContact CZ-CD1 3.51Å; F71-Y80 HydrophobicContact CZ-CD1 3.51Å; F71-Y80 HydrophobicContact CZ-CE1 4.14Å; F71-Y80 AromaticContact CZ-CG 3.78Å; F71-Y80 HydrophobicContact CZ-CG 3.78Å; F71-Y81 HydrophobicContact CE2-CD2 4.42Å; F71-Y81 AromaticContact CE2-CE2 3.54Å; F71-Y81 HydrophobicContact CE2-CE2 3.54Å; F71-Y81 HydrophobicContact CZ-CD2 4.27Å; F71-Y81 AromaticContact CZ-CE2 3.62Å; F71-Y81 HydrophobicContact CZ-CE2 3.62Å; F71-N281 HydrophobicContact CD1-CB 3.59Å; F71-N281 HydrophobicContact CE1-CB 3.59Å; F71-N281 WeakPolarHBondContact CE1-ND2 3.21Å; F71-N281 HydrophobicContact CG-CB 4.44Å; F71-N281 HydrophobicContact CZ-CB 4.44Å; F71-N281 VanDerWaalsContact CZ-ND2 3.26Å; F71-N281 WeakPolarHBondContact CZ-ND2 3.33Å |
| 72 | A | 91.6 | Very high | 89.7 | Confident | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.008 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -78.7 | -30.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y63 E76 I282 I467 Q510 | Y63-A72 WeakPolarHBondContact CE2-O 3.39Å; A72-E76 WeakPolarHBondContact CB-OE2 3.41Å; A72-I282 HydrophobicContact CB-CG1 4.38Å; A72-I282 HydrophobicContact CB-CG2 4.24Å; A72-I467 HydrophobicContact CB-CD1 3.73Å; A72-Q510 PolarHBondContact O-NE2 2.82Å; A72-Q510 PolarHBondContact O-OE1 2.87Å |
| 73 | T | 90.3 | Very high | 89.7 | Confident | 9 Ų | 9 | 30.6 Ų | 30.6 | 6% | 0.055 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -141.7 | 161.3 | 178.9 | 67.6 | 0 | 0 | 0 | 0 | 111.6 | A75 E76 L77 E258 | T73-A75 VanDerWaalsContact C-N 3.32Å; T73-E76 PolarHBondContact O-N 3.33Å; T73-E76 WeakPolarHBondContact OG1-CB 3.48Å; T73-E76 VanDerWaalsContact OG1-CG 3.24Å; T73-E76 WeakPolarHBondContact OG1-CG 3.39Å; T73-E76 PolarHBondContact OG1-N 3.03Å; T73-E76 VanDerWaalsContact OG1-N 3.09Å; T73-L77 PolarHBondContact O-N 2.72Å; T73-L77 VanDerWaalsContact O-N 3.12Å; T73-E258 WeakPolarHBondContact CB-OE2 3.32Å |
| 74 | L | 89.1 | Confident | 89.7 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66 | -36.5 | 173.5 | -71.2 | 177.5 | 0 | 0 | 0 | 111.3 | W6 F7 F41 I56 Y63 E76 L77 V78 | W6-L74 HydrophobicContact CH2-CB 3.75Å; W6-L74 HydrophobicContact CZ3-CB 4.25Å; F7-L74 HydrophobicContact CD2-CD1 4.19Å; F7-L74 HydrophobicContact CE2-CD1 3.87Å; F41-L74 HydrophobicContact CD1-CD1 3.9Å; F41-L74 HydrophobicContact CD2-CD1 4.47Å; F41-L74 HydrophobicContact CE1-CD1 4.12Å; F41-L74 HydrophobicContact CG-CD1 4.07Å; I56-L74 HydrophobicContact CD1-CD2 3.92Å; I56-L74 HydrophobicContact CG2-CD2 4.05Å; Y63-L74 HydrophobicContact CD1-CD2 3.5Å; Y63-L74 VanDerWaalsContact CD1-CD2 3.5Å; Y63-L74 HydrophobicContact CD1-CG 3.72Å; Y63-L74 HydrophobicContact CE1-CD1 4.06Å; Y63-L74 HydrophobicContact CE1-CD2 3.87Å; Y63-L74 HydrophobicContact CE1-CG 3.57Å; Y63-L74 HydrophobicContact CG-CD2 4.17Å; Y63-L74 HydrophobicContact CG-CG 4.41Å; L74-E76 PolarHBondContact O-N 3.41Å; L74-L77 HydrophobicContact CD2-CD1 4.46Å; L74-L77 WeakPolarHBondContact O-CB 3.24Å; L74-L77 PolarHBondContact O-N 3.27Å; L74-V78 WeakPolarHBondContact O-CG2 3.41Å; L74-V78 PolarHBondContact O-N 3.42Å |
| 75 | A | 88.8 | Confident | 89.4 | Confident | 4 Ų | 4 | 37.3 Ų | 37.3 | 3% | 0.033 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.1 | -41.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | W6 T73 V78 Q79 E258 L262 | W6-A75 HydrophobicContact CZ2-CB 4.25Å; T73-A75 VanDerWaalsContact C-N 3.32Å; A75-V78 PolarHBondContact O-N 3.05Å; A75-Q79 VanDerWaalsContact O-CB 3.22Å; A75-Q79 WeakPolarHBondContact O-CB 3.21Å; A75-Q79 PolarHBondContact O-N 3.05Å; A75-E258 HydrophobicContact CB-CG 3.63Å; A75-E258 WeakPolarHBondContact CB-OE1 3.13Å; A75-E258 PolarHBondContact N-OE1 3.47Å; A75-L262 HydrophobicContact CB-CD2 4.29Å |
| 76 | E | 88.3 | Confident | 89 | Confident | 6 Ų | 6 | 38.7 Ų | 38.7 | 3% | 0.028 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.6 | -39.2 | 175.2 | -72.6 | 178.4 | 178.7 | 0 | 0 | 112.3 | A72 T73 L74 Y80 L262 R265 S506 | A72-E76 WeakPolarHBondContact CB-OE2 3.41Å; T73-E76 PolarHBondContact O-N 3.33Å; T73-E76 WeakPolarHBondContact OG1-CB 3.48Å; T73-E76 VanDerWaalsContact OG1-CG 3.24Å; T73-E76 WeakPolarHBondContact OG1-CG 3.39Å; T73-E76 PolarHBondContact OG1-N 3.03Å; T73-E76 VanDerWaalsContact OG1-N 3.09Å; L74-E76 PolarHBondContact O-N 3.41Å; E76-Y80 VanDerWaalsContact O-CB 3.25Å; E76-Y80 WeakPolarHBondContact O-CB 3.46Å; E76-Y80 PolarHBondContact O-N 3.4Å; E76-L262 HydrophobicContact CG-CD2 4.08Å; E76-R265 VanDerWaalsContact CG-NH1 3.27Å; E76-R265 IonicContact OE1-CZ 2.77Å; E76-R265 IonicContact OE1-NE 3.89Å; E76-R265 IonicContact OE1-NH1 3.97Å; E76-R265 PolarHBondContact OE1-NH1 2.81Å; E76-R265 IonicContact OE2-NH1 2.78Å; E76-R265 PolarHBondContact OE2-NH1 3.03Å; E76-S506 VanDerWaalsContact CD-OG 3.3Å; E76-S506 WeakPolarHBondContact OE1-CB 3.38Å; E76-S506 PolarHBondContact OE1-OG 3.38Å |
| 77 | L | 92.7 | Very high | 89.1 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.5 | -51.5 | 174.1 | -179.7 | 162.1 | 0 | 0 | 0 | 110.8 | L43 I56 L65 F71 T73 L74 Y80 Y81 | L43-L77 HydrophobicContact CD2-CD2 4.47Å; I56-L77 HydrophobicContact CD1-CD1 4.1Å; I56-L77 HydrophobicContact CG1-CD1 4.3Å; I56-L77 HydrophobicContact CG2-CD1 4.41Å; L65-L77 HydrophobicContact CB-CD1 4.07Å; L65-L77 HydrophobicContact CD1-CD1 4.45Å; L65-L77 HydrophobicContact CD2-CD2 4.37Å; F71-L77 HydrophobicContact CB-CB 3.97Å; F71-L77 HydrophobicContact CD1-CB 4.23Å; F71-L77 HydrophobicContact CD2-CB 3.69Å; F71-L77 HydrophobicContact CD2-CD1 3.87Å; F71-L77 HydrophobicContact CD2-CG 3.68Å; F71-L77 HydrophobicContact CE2-CB 4.24Å; F71-L77 HydrophobicContact CE2-CD1 4.4Å; F71-L77 HydrophobicContact CE2-CG 3.93Å; F71-L77 HydrophobicContact CG-CB 3.68Å; F71-L77 HydrophobicContact CG-CG 4.22Å; T73-L77 PolarHBondContact O-N 2.72Å; T73-L77 VanDerWaalsContact O-N 3.12Å; L74-L77 HydrophobicContact CD2-CD1 4.46Å; L74-L77 WeakPolarHBondContact O-CB 3.24Å; L74-L77 PolarHBondContact O-N 3.27Å; L77-Y80 PolarHBondContact O-N 2.85Å; L77-Y81 HydrophobicContact CD2-CD2 4.06Å; L77-Y81 HydrophobicContact CD2-CE2 4.45Å; L77-Y81 HydrophobicContact CG-CD2 4.24Å; L77-Y81 HydrophobicContact CG-CE2 4.27Å; L77-Y81 VanDerWaalsContact O-CD2 3.29Å; L77-Y81 WeakPolarHBondContact O-CD2 3.36Å; L77-Y81 PolarHBondContact O-N 3.38Å |
| 78 | V | 90.7 | Very high | 89.7 | Confident | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.012 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.7 | -47 | -179.9 | 168.9 | 0 | 0 | 0 | 0 | 110.7 | M1 W6 F29 L74 A75 Y80 Y81 M82 | M1-V78 HydrophobicContact CE-CG1 3.79Å; M1-V78 HydrophobicContact SD-CG1 4.35Å; W6-V78 HydrophobicContact CD2-CG1 4.37Å; W6-V78 HydrophobicContact CD2-CG2 4.14Å; W6-V78 HydrophobicContact CE3-CG2 3.9Å; W6-V78 HydrophobicContact CH2-CB 4.33Å; W6-V78 HydrophobicContact CH2-CG2 3.71Å; W6-V78 HydrophobicContact CZ2-CB 4.1Å; W6-V78 HydrophobicContact CZ2-CG1 4.46Å; W6-V78 HydrophobicContact CZ2-CG2 3.93Å; W6-V78 HydrophobicContact CZ3-CG2 3.68Å; F29-V78 HydrophobicContact CE2-CG1 3.57Å; F29-V78 HydrophobicContact CE2-CG2 4.19Å; F29-V78 HydrophobicContact CZ-CG1 3.57Å; L74-V78 WeakPolarHBondContact O-CG2 3.41Å; L74-V78 PolarHBondContact O-N 3.42Å; A75-V78 PolarHBondContact O-N 3.05Å; V78-Y80 VanDerWaalsContact C-N 3.31Å; V78-Y80 PolarHBondContact O-N 2.66Å; V78-Y81 PolarHBondContact O-N 3.36Å; V78-M82 HydrophobicContact CG1-CG 4.33Å; V78-M82 HydrophobicContact CG1-SD 3.81Å; V78-M82 WeakPolarHBondContact O-CB 3.42Å; V78-M82 VanDerWaalsContact O-CG 3.29Å; V78-M82 WeakPolarHBondContact O-CG 3.49Å; V78-M82 PolarHBondContact O-N 2.83Å |
| 79 | Q | 88.2 | Confident | 89.8 | Confident | 36 Ų | 36 | 37.6 Ų | 37.6 | 17% | 0.168 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57 | -46.2 | 177.8 | -177.8 | 177.4 | 11.7 | 0 | 0 | 111.2 | A75 Y81 M82 E83 | A75-Q79 VanDerWaalsContact O-CB 3.22Å; A75-Q79 WeakPolarHBondContact O-CB 3.21Å; A75-Q79 PolarHBondContact O-N 3.05Å; Q79-Y81 PolarHBondContact O-N 2.9Å; Q79-M82 PolarHBondContact O-N 2.81Å; Q79-E83 HydrophobicContact CG-CG 4.47Å; Q79-E83 WeakPolarHBondContact CG-OE1 3.49Å; Q79-E83 PolarHBondContact NE2-OE1 3.47Å; Q79-E83 WeakPolarHBondContact O-CB 2.93Å; Q79-E83 WeakPolarHBondContact O-CG 3.39Å; Q79-E83 PolarHBondContact O-N 3.39Å |
| 80 | Y | 92.1 | Very high | 89.2 | Confident | 28 Ų | 28 | 37.1 Ų | 37.1 | 11% | 0.11 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.7 | -52.9 | -179.6 | -177.9 | -97.6 | 0 | 0 | 0 | 112.3 | F71 E76 L77 V78 M82 E83 H84 Q87 K280 | F71-Y80 VanDerWaalsContact CE1-CB 3.45Å; F71-Y80 AromaticContact CE1-CD1 3.78Å; F71-Y80 HydrophobicContact CE1-CD1 3.78Å; F71-Y80 HydrophobicContact CE1-CD2 4.13Å; F71-Y80 AromaticContact CE1-CG 3.52Å; F71-Y80 HydrophobicContact CE1-CG 3.52Å; F71-Y80 AromaticContact CZ-CD1 3.51Å; F71-Y80 HydrophobicContact CZ-CD1 3.51Å; F71-Y80 HydrophobicContact CZ-CE1 4.14Å; F71-Y80 AromaticContact CZ-CG 3.78Å; F71-Y80 HydrophobicContact CZ-CG 3.78Å; E76-Y80 VanDerWaalsContact O-CB 3.25Å; E76-Y80 WeakPolarHBondContact O-CB 3.46Å; E76-Y80 PolarHBondContact O-N 3.4Å; L77-Y80 PolarHBondContact O-N 2.85Å; V78-Y80 VanDerWaalsContact C-N 3.31Å; V78-Y80 PolarHBondContact O-N 2.66Å; Y80-M82 VanDerWaalsContact C-N 3.3Å; Y80-M82 PolarHBondContact O-N 3.13Å; Y80-E83 PolarHBondContact O-N 3.25Å; Y80-H84 AromaticContact CD2-CE1 3.88Å; Y80-H84 AromaticContact CD2-ND1 3.7Å; Y80-H84 HydrophobicContact CE1-CB 4.5Å; Y80-H84 AromaticContact CE2-CE1 3.84Å; Y80-H84 AromaticContact CE2-ND1 3.81Å; Y80-H84 WeakPolarHBondContact O-CB 3.44Å; Y80-H84 PolarHBondContact O-N 3.36Å; Y80-H84 PolarHBondContact O-ND1 2.91Å; Y80-Q87 PolarHBondContact OH-OE1 2.85Å; Y80-K280 PolarHBondContact OH-NZ 2.81Å |
| 81 | Y | 93.6 | Very high | 88.4 | Confident | 6 Ų | 6 | 42.5 Ų | 42.5 | 2% | 0.024 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -75.2 | -18.9 | -176.5 | -73.5 | -64.2 | 0 | 0 | 0 | 114 | L65 G68 E69 F71 L77 V78 Q79 Q87 L88 | L65-Y81 HydrophobicContact CD2-CD2 3.9Å; L65-Y81 HydrophobicContact CD2-CE2 3.24Å; G68-Y81 VanDerWaalsContact CA-OH 3.26Å; G68-Y81 WeakPolarHBondContact CA-OH 3.43Å; E69-Y81 PolarHBondContact N-OH 2.77Å; F71-Y81 HydrophobicContact CE2-CD2 4.42Å; F71-Y81 AromaticContact CE2-CE2 3.54Å; F71-Y81 HydrophobicContact CE2-CE2 3.54Å; F71-Y81 HydrophobicContact CZ-CD2 4.27Å; F71-Y81 AromaticContact CZ-CE2 3.62Å; F71-Y81 HydrophobicContact CZ-CE2 3.62Å; L77-Y81 HydrophobicContact CD2-CD2 4.06Å; L77-Y81 HydrophobicContact CD2-CE2 4.45Å; L77-Y81 HydrophobicContact CG-CD2 4.24Å; L77-Y81 HydrophobicContact CG-CE2 4.27Å; L77-Y81 VanDerWaalsContact O-CD2 3.29Å; L77-Y81 WeakPolarHBondContact O-CD2 3.36Å; L77-Y81 PolarHBondContact O-N 3.38Å; V78-Y81 PolarHBondContact O-N 3.36Å; Q79-Y81 PolarHBondContact O-N 2.9Å; Y81-Q87 HydrophobicContact CD1-CB 4.42Å; Y81-Q87 HydrophobicContact CE1-CB 4.16Å; Y81-L88 HydrophobicContact CD1-CB 3.62Å; Y81-L88 HydrophobicContact CE1-CB 3.79Å; Y81-L88 HydrophobicContact CE1-CD1 4.26Å; Y81-L88 HydrophobicContact CG-CB 4.26Å |
| 82 | M | 90.7 | Very high | 87.9 | Confident | 46 Ų | 46 | 47.2 Ų | 47.2 | 23% | 0.227 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -75.7 | -32.5 | 168.3 | -75.4 | -172.1 | 63.9 | 0 | 0 | 113 | M1 F29 V78 Q79 Y80 H85 L98 | M1-M82 HydrophobicContact CE-CE 3.64Å; M1-M82 HydrophobicContact CE-SD 2.96Å; M1-M82 WeakPolarHBondContact CE-SD 3.44Å; F29-M82 HydrophobicContact CE1-CE 4.37Å; F29-M82 HydrophobicContact CE1-CG 4.2Å; F29-M82 HydrophobicContact CE1-SD 3.63Å; F29-M82 HydrophobicContact CZ-CG 4.24Å; F29-M82 HydrophobicContact CZ-SD 3.44Å; F29-M82 WeakPolarHBondContact CZ-SD 3.39Å; V78-M82 HydrophobicContact CG1-CG 4.33Å; V78-M82 HydrophobicContact CG1-SD 3.81Å; V78-M82 WeakPolarHBondContact O-CB 3.42Å; V78-M82 VanDerWaalsContact O-CG 3.29Å; V78-M82 WeakPolarHBondContact O-CG 3.49Å; V78-M82 PolarHBondContact O-N 2.83Å; Q79-M82 PolarHBondContact O-N 2.81Å; Y80-M82 VanDerWaalsContact C-N 3.3Å; Y80-M82 PolarHBondContact O-N 3.13Å; M82-H85 PolarHBondContact O-CE1 2.94Å; M82-L98 HydrophobicContact CG-CB 3.68Å |
| 83 | E | 90.6 | Very high | 87.4 | Confident | 118 Ų | 118 | 49.2 Ų | 49.2 | 55% | 0.551 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -86.4 | -20.8 | 178.3 | -69 | 171.1 | -173.4 | 0 | 0 | 112.6 | Q79 Y80 | Q79-E83 HydrophobicContact CG-CG 4.47Å; Q79-E83 WeakPolarHBondContact CG-OE1 3.49Å; Q79-E83 PolarHBondContact NE2-OE1 3.47Å; Q79-E83 WeakPolarHBondContact O-CB 2.93Å; Q79-E83 WeakPolarHBondContact O-CG 3.39Å; Q79-E83 PolarHBondContact O-N 3.39Å; Y80-E83 PolarHBondContact O-N 3.25Å |
| 84 | H | 89.2 | Confident | 87.1 | Confident | 73 Ų | 73 | 52 Ų | 52 | 34% | 0.338 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -120.2 | 73.6 | -175.8 | -59.6 | 79.7 | 0 | 0 | 0 | 112.2 | Y80 Q87 | Y80-H84 AromaticContact CD2-CE1 3.88Å; Y80-H84 AromaticContact CD2-ND1 3.7Å; Y80-H84 HydrophobicContact CE1-CB 4.5Å; Y80-H84 AromaticContact CE2-CE1 3.84Å; Y80-H84 AromaticContact CE2-ND1 3.81Å; Y80-H84 WeakPolarHBondContact O-CB 3.44Å; Y80-H84 PolarHBondContact O-N 3.36Å; Y80-H84 PolarHBondContact O-ND1 2.91Å; H84-Q87 HydrophobicContact CB-CG 4.22Å |
| 85 | H | 86.1 | Confident | 87.1 | Confident | 112 Ų | 112 | 54.9 Ų | 54.9 | 52% | 0.519 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 145.1 | 174.3 | -55.2 | -48.3 | 0 | 0 | 0 | 111.7 | M82 | M82-H85 PolarHBondContact O-CE1 2.94Š|
| 86 | G | 83.2 | Confident | 87.2 | Confident | 29 Ų | 29 | 55 Ų | 55 | 30% | 0.299 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.6 | -11.3 | 179 | 0 | 0 | 0 | 0 | 0 | 116.3 | K89 | G86-K89 WeakPolarHBondContact O-CE 3.26Š|
| 87 | Q | 87.2 | Confident | 87.3 | Confident | 82 Ų | 82 | 58.1 Ų | 58.1 | 38% | 0.383 | 30% | 0.295 | S | S | . | . | trans | -91.1 | -28.5 | -176 | -63.6 | -157.6 | 20.2 | 0 | 0 | 114.8 | Y80 Y81 H84 | Y80-Q87 PolarHBondContact OH-OE1 2.85Å; Y81-Q87 HydrophobicContact CD1-CB 4.42Å; Y81-Q87 HydrophobicContact CE1-CB 4.16Å; H84-Q87 HydrophobicContact CB-CG 4.22Å | ||
| 88 | L | 88.6 | Confident | 87.4 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | trans | -82.6 | 119.6 | 174.9 | -175.1 | 56.9 | 0 | 0 | 0 | 109.1 | L43 I54 L65 Y81 V95 I96 L98 | L43-L88 HydrophobicContact CD2-CD2 4.24Å; I54-L88 HydrophobicContact CD1-CD2 3.89Å; I54-L88 HydrophobicContact CD1-CG 4.41Å; L65-L88 HydrophobicContact CD2-CD1 3.41Å; L65-L88 VanDerWaalsContact CD2-CD1 3.41Å; L65-L88 HydrophobicContact CG-CD1 4.26Å; Y81-L88 HydrophobicContact CD1-CB 3.62Å; Y81-L88 HydrophobicContact CE1-CB 3.79Å; Y81-L88 HydrophobicContact CE1-CD1 4.26Å; Y81-L88 HydrophobicContact CG-CB 4.26Å; L88-V95 WeakPolarHBondContact O-CA 3.29Å; L88-I96 HydrophobicContact CB-CB 4.42Å; L88-I96 HydrophobicContact CD2-CB 4.03Å; L88-I96 HydrophobicContact CD2-CG2 4.11Å; L88-I96 HydrophobicContact CG-CB 3.96Å; L88-I96 HydrophobicContact CG-CD1 4.3Å; L88-I96 PolarHBondContact O-N 3.07Å; L88-L98 HydrophobicContact CD2-CD2 4.37Å; L88-L98 HydrophobicContact CD2-CG 4.41Å | ||
| 89 | K | 85.9 | Confident | 87.4 | Confident | 105 Ų | 105 | 62 Ų | 62 | 46% | 0.457 | 31% | 0.312 | S | S | . | . | B | Isolated β-bridge | trans | -132 | 147.9 | -175.2 | -60.9 | -177 | -177.4 | -175.8 | 0 | 112.3 | G86 D94 V95 | G86-K89 WeakPolarHBondContact O-CE 3.26Å; K89-D94 CarbonylContact C-O 3.51Å; K89-D94 WeakPolarHBondContact CA-O 3.26Å; K89-V95 HydrophobicContact CG-CG2 4.42Å |
| 90 | E | 79.1 | Confident | 87.5 | Confident | 53 Ų | 53 | 66.3 Ų | 66.3 | 25% | 0.248 | 33% | 0.328 | C | S | . | . | trans | -77.6 | 172.3 | 167.7 | -74.7 | -167.3 | -173 | 0 | 0 | 111.8 | R47 T52 N92 G93 D94 I96 | R47-E90 IonicContact CZ-OE1 3.42Å; R47-E90 VanDerWaalsContact CZ-OE1 3.27Å; R47-E90 IonicContact CZ-OE2 2.86Å; R47-E90 IonicContact NE-OE1 2.78Å; R47-E90 PolarHBondContact NE-OE1 3.32Å; R47-E90 VanDerWaalsContact NE-OE1 3.11Å; R47-E90 IonicContact NH2-OE1 3.11Å; R47-E90 PolarHBondContact NH2-OE1 3.03Å; R47-E90 IonicContact NH2-OE2 2.96Å; R47-E90 PolarHBondContact NH2-OE2 2.99Å; T52-E90 WeakPolarHBondContact CG2-OE1 3.45Å; T52-E90 PolarHBondContact OG1-OE1 3.03Å; E90-N92 VanDerWaalsContact CB-OD1 3.23Å; E90-N92 WeakPolarHBondContact CB-OD1 3.26Å; E90-N92 PolarHBondContact O-N 3.05Å; E90-G93 PolarHBondContact O-N 2.83Å; E90-D94 PolarHBondContact N-O 2.8Å; E90-I96 HydrophobicContact CG-CD1 3.58Å; E90-I96 HydrophobicContact CG-CG1 3.96Å | ||
| 91 | K | 77.8 | Confident | 87.4 | Confident | 177 Ų | 177 | 67.1 Ų | 67.1 | 77% | 0.77 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -29.9 | 175.8 | -72.9 | -170.7 | 179.9 | -175.1 | 0 | 113.5 | Y66 | Y66-K91 VanDerWaalsContact CE1-CE 3.44Å; Y66-K91 HydrophobicContact CE1-CG 4.41Å; Y66-K91 WeakPolarHBondContact OH-CE 3.31Å; Y66-K91 PolarHBondContact OH-NZ 2.77Å; Y66-K91 VanDerWaalsContact OH-NZ 3.13Å |
| 92 | N | 81.5 | Confident | 87.1 | Confident | 100 Ų | 100 | 67.8 Ų | 67.8 | 54% | 0.535 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -4.8 | 178.1 | 67.8 | -6.8 | 0 | 0 | 0 | 112.9 | E90 D94 | E90-N92 VanDerWaalsContact CB-OD1 3.23Å; E90-N92 WeakPolarHBondContact CB-OD1 3.26Å; E90-N92 PolarHBondContact O-N 3.05Å; N92-D94 VanDerWaalsContact ND2-CG 3.31Å; N92-D94 PolarHBondContact ND2-OD2 3.49Å; N92-D94 VanDerWaalsContact OD1-CB 3.32Å; N92-D94 WeakPolarHBondContact OD1-CB 3.25Å; N92-D94 PolarHBondContact OD1-N 3.32Å |
| 93 | G | 81.4 | Confident | 86.8 | Confident | 43 Ų | 43 | 69.3 Ų | 69.3 | 44% | 0.443 | 35% | 0.349 | S | S | . | . | S | Bend | trans | 93.8 | -5.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | E90 | E90-G93 PolarHBondContact O-N 2.83Š|
| 94 | D | 85.4 | Confident | 86.3 | Confident | 67 Ų | 67 | 64.6 Ų | 64.6 | 36% | 0.358 | 33% | 0.329 | S | S | . | . | trans | -62.9 | 137.9 | 178 | -73.7 | -11.4 | 0 | 0 | 0 | 111.3 | R47 K89 E90 N92 | R47-D94 IonicContact CZ-OD2 2.71Å; R47-D94 IonicContact NH1-OD2 3.6Å; R47-D94 PolarHBondContact NH1-OD2 2.87Å; R47-D94 VanDerWaalsContact NH1-OD2 3.08Å; R47-D94 IonicContact NH2-OD2 2.77Å; R47-D94 PolarHBondContact NH2-OD2 2.79Å; K89-D94 CarbonylContact C-O 3.51Å; K89-D94 WeakPolarHBondContact CA-O 3.26Å; E90-D94 PolarHBondContact N-O 2.8Å; N92-D94 VanDerWaalsContact ND2-CG 3.31Å; N92-D94 PolarHBondContact ND2-OD2 3.49Å; N92-D94 VanDerWaalsContact OD1-CB 3.32Å; N92-D94 WeakPolarHBondContact OD1-CB 3.25Å; N92-D94 PolarHBondContact OD1-N 3.32Å | ||
| 95 | V | 88.3 | Confident | 85.6 | Confident | 62 Ų | 62 | 63.2 Ų | 63.2 | 38% | 0.376 | 33% | 0.33 | S | S | . | . | B | Isolated β-bridge | trans | -78.4 | 135 | 175.7 | 175.9 | 0 | 0 | 0 | 0 | 110.4 | L88 K89 E97 | L88-V95 WeakPolarHBondContact O-CA 3.29Å; K89-V95 HydrophobicContact CG-CG2 4.42Å; V95-E97 HydrophobicContact CG1-CG 4Å |
| 96 | I | 90.1 | Very high | 84.9 | Confident | 6 Ų | 6 | 60.1 Ų | 60.1 | 3% | 0.031 | 32% | 0.317 | C | S | . | . | trans | -108.9 | 123.1 | 171.2 | -49.7 | 176.2 | 0 | 0 | 0 | 108.2 | V45 T52 I54 L88 E90 | V45-I96 HydrophobicContact CB-CG2 3.91Å; V45-I96 HydrophobicContact CG1-CG2 3.69Å; V45-I96 HydrophobicContact CG2-CG2 3.97Å; T52-I96 HydrophobicContact CG2-CD1 4.41Å; I54-I96 HydrophobicContact CD1-CD1 3.47Å; I54-I96 VanDerWaalsContact CD1-CD1 3.47Å; I54-I96 HydrophobicContact CD1-CG2 4.34Å; I54-I96 HydrophobicContact CG1-CD1 4Å; L88-I96 HydrophobicContact CB-CB 4.42Å; L88-I96 HydrophobicContact CD2-CB 4.03Å; L88-I96 HydrophobicContact CD2-CG2 4.11Å; L88-I96 HydrophobicContact CG-CB 3.96Å; L88-I96 HydrophobicContact CG-CD1 4.3Å; L88-I96 PolarHBondContact O-N 3.07Å; E90-I96 HydrophobicContact CG-CD1 3.58Å; E90-I96 HydrophobicContact CG-CG1 3.96Å | ||
| 97 | E | 92 | Very high | 84.4 | Confident | 73 Ų | 73 | 59.3 Ų | 59.3 | 34% | 0.341 | 31% | 0.307 | S | S | . | . | trans | -105.1 | 128.7 | -179.1 | -61.5 | -173.7 | 144.4 | 0 | 0 | 111.3 | V95 K99 | V95-E97 HydrophobicContact CG1-CG 4Å; E97-K99 HydrophobicContact CB-CG 4.36Å; E97-K99 WeakPolarHBondContact OE2-CE 3.45Å; E97-K99 IonicContact OE2-NZ 2.64Å; E97-K99 PolarHBondContact OE2-NZ 2.86Å | ||
| 98 | L | 93.1 | Very high | 83.5 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | trans | -94.7 | 107.6 | 169.8 | -54 | -171.3 | 0 | 0 | 0 | 108.5 | F29 L43 V45 M82 L88 | F29-L98 HydrophobicContact CB-CD2 3.86Å; F29-L98 HydrophobicContact CD1-CB 3.84Å; F29-L98 HydrophobicContact CD1-CD2 4.2Å; F29-L98 HydrophobicContact CD2-CD2 4.42Å; F29-L98 HydrophobicContact CE1-CB 3.95Å; F29-L98 HydrophobicContact CG-CB 4.34Å; F29-L98 HydrophobicContact CG-CD2 3.9Å; L43-L98 HydrophobicContact CD2-CD1 4.08Å; L43-L98 HydrophobicContact CD2-CD2 4.16Å; V45-L98 HydrophobicContact CB-CD2 4.47Å; V45-L98 HydrophobicContact CG1-CD2 4.03Å; V45-L98 HydrophobicContact CG2-CD2 3.55Å; M82-L98 HydrophobicContact CG-CB 3.68Å; L88-L98 HydrophobicContact CD2-CD2 4.37Å; L88-L98 HydrophobicContact CD2-CG 4.41Å | ||
| 99 | K | 92 | Very high | 82.4 | Confident | 83 Ų | 83 | 57.7 Ų | 57.7 | 36% | 0.361 | 30% | 0.303 | S | S | . | . | trans | -113.5 | -53.8 | -178.5 | -67.5 | -178 | 176.1 | 163.7 | 0 | 112.1 | G27 E97 | G27-K99 PolarHBondContact O-N 3.42Å; E97-K99 HydrophobicContact CB-CG 4.36Å; E97-K99 WeakPolarHBondContact OE2-CE 3.45Å; E97-K99 IonicContact OE2-NZ 2.64Å; E97-K99 PolarHBondContact OE2-NZ 2.86Å | ||
| 100 | Y | 90.3 | Very high | 82 | Confident | 127 Ų | 127 | 54.1 Ų | 54.1 | 50% | 0.498 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 104.3 | -166.8 | -49.2 | -66.6 | 0 | 0 | 0 | 111.1 | V25 G27 S28 F29 L102 | V25-Y100 HydrophobicContact CG2-CD2 3.53Å; V25-Y100 HydrophobicContact CG2-CE2 3.78Å; V25-Y100 HydrophobicContact CG2-CG 4.37Å; G27-Y100 PolarHBondContact O-N 2.87Å; S28-Y100 CarbonylContact C-O 3.58Å; S28-Y100 WeakPolarHBondContact CA-O 3.41Å; F29-Y100 PolarHBondContact N-O 2.81Å; Y100-L102 PolarHBondContact O-N 3.39Å |
| 101 | P | 89.2 | Confident | 81.9 | Confident | 44 Ų | 44 | 56.4 Ų | 56.4 | 29% | 0.286 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 121.8 | 174.8 | 24 | -31.5 | 0 | 0 | 0 | 110.2 | M1 W6 F29 N103 | M1-P101 HydrophobicContact CE-CG 4.41Å; W6-P101 HydrophobicContact CB-CB 3.7Å; W6-P101 HydrophobicContact CG-CB 4.31Å; F29-P101 HydrophobicContact CE1-CB 4.08Å; F29-P101 HydrophobicContact CE2-CB 4.46Å; F29-P101 HydrophobicContact CZ-CB 3.82Å; P101-N103 PolarHBondContact O-N 2.89Å |
| 102 | L | 88.6 | Confident | 82.3 | Confident | 20 Ų | 20 | 48.2 Ų | 48.2 | 11% | 0.105 | 26% | 0.259 | C | S | . | . | trans | -84.6 | 105.8 | 173.3 | -166.3 | 149.4 | 0 | 0 | 0 | 108.3 | H8 L19 L20 R23 F29 L30 Y100 | H8-L102 PolarHBondContact NE2-O 3.11Å; L19-L102 HydrophobicContact CB-CD2 4.38Å; L20-L102 HydrophobicContact CD2-CB 4.38Å; L20-L102 HydrophobicContact CD2-CD1 3.93Å; L20-L102 HydrophobicContact CG-CD1 4.45Å; R23-L102 HydrophobicContact CB-CD1 4.36Å; F29-L102 PolarHBondContact O-N 3.05Å; L30-L102 HydrophobicContact CD2-CD2 4.16Å; Y100-L102 PolarHBondContact O-N 3.39Å | ||
| 103 | N | 84.3 | Confident | 82.4 | Confident | 79 Ų | 79 | 44.9 Ų | 44.9 | 42% | 0.422 | 24% | 0.24 | S | C | . | . | trans | -72.3 | 142.3 | -170.9 | -67.5 | -33.9 | 0 | 0 | 0 | 112.8 | R5 P101 | R5-N103 HydrophobicContact CB-CB 3.89Å; R5-N103 VanDerWaalsContact CB-OD1 3.28Å; R5-N103 WeakPolarHBondContact CB-OD1 3.37Å; R5-N103 CarbonylContact O-C 3.59Å; R5-N103 WeakPolarHBondContact O-CA 3.48Å; P101-N103 PolarHBondContact O-N 2.89Å | ||
| 104 | C | 78.6 | Confident | 82.3 | Confident | 18 Ų | 18 | 44.9 Ų | 44.9 | 12% | 0.122 | 23% | 0.228 | C | C | . | . | trans | -83.6 | 136.7 | 172.8 | -161.9 | 0 | 0 | 0 | 0 | 110.1 | R5 F7 H8 D106 | R5-C104 WeakPolarHBondContact O-CB 3.2Å; R5-C104 PolarHBondContact O-N 2.85Å; F7-C104 WeakPolarHBondContact O-CB 3.41Å; H8-C104 WeakPolarHBondContact CE1-CA 3.39Å; H8-C104 PolarHBondContact ND1-SG 3.33Å; C104-D106 WeakPolarHBondContact SG-CB 3.18Å; C104-D106 PolarHBondContact SG-N 3.25Å | ||
| 105 | A | 75.6 | Confident | 81.9 | Confident | 45 Ų | 45 | 42.3 Ų | 42.3 | 37% | 0.372 | 22% | 0.217 | S | C | . | . | trans | -100.2 | -1.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | P107 | A105-P107 WeakPolarHBondContact O-CD 3.48Š| ||
| 106 | D | 71.9 | Confident | 81.2 | Confident | 46 Ų | 46 | 46 Ų | 46 | 25% | 0.246 | 23% | 0.23 | C | C | . | . | trans | -70.9 | 117.6 | -179.1 | -170 | -11 | 0 | 0 | 0 | 110.4 | N10 C104 T108 | N10-D106 PolarHBondContact ND2-OD2 3.44Å; C104-D106 WeakPolarHBondContact SG-CB 3.18Å; C104-D106 PolarHBondContact SG-N 3.25Å; D106-T108 VanDerWaalsContact C-N 3.3Å; D106-T108 PolarHBondContact O-N 2.84Å; D106-T108 WeakPolarHBondContact OD1-CG2 3.22Å; D106-T108 PolarHBondContact OD1-N 2.94Å; D106-T108 PolarHBondContact OD1-OG1 2.95Å; D106-T108 VanDerWaalsContact OD1-OG1 3.14Å; D106-T108 PolarHBondContact OD2-OG1 2.76Å | ||
| 107 | P | 71.8 | Confident | 80.7 | Confident | 13 Ų | 13 | 46.7 Ų | 46.7 | 8% | 0.084 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -79.7 | -6.6 | -178.4 | 36.6 | -41.1 | 0 | 0 | 0 | 113.2 | A105 S109 E110 W112 F113 L190 | A105-P107 WeakPolarHBondContact O-CD 3.48Å; P107-S109 PolarHBondContact O-N 3.48Å; P107-E110 VanDerWaalsContact O-CB 3.22Å; P107-E110 WeakPolarHBondContact O-CB 3.47Å; P107-E110 PolarHBondContact O-N 2.93Å; P107-W112 HydrophobicContact CB-CH2 4.32Å; P107-F113 HydrophobicContact CB-CB 4.3Å; P107-F113 HydrophobicContact CB-CD1 4.38Å; P107-F113 HydrophobicContact CB-CD2 3.78Å; P107-F113 HydrophobicContact CB-CE2 4.16Å; P107-F113 HydrophobicContact CB-CG 3.89Å; P107-F113 HydrophobicContact CG-CD1 4.26Å; P107-F113 HydrophobicContact CG-CD2 3.88Å; P107-F113 HydrophobicContact CG-CE1 4.12Å; P107-F113 HydrophobicContact CG-CE2 3.72Å; P107-F113 HydrophobicContact CG-CG 4.14Å; P107-F113 HydrophobicContact CG-CZ 3.85Å; P107-F113 VanDerWaalsContact O-CB 3.31Å; P107-F113 WeakPolarHBondContact O-CB 3.41Å; P107-L190 HydrophobicContact CB-CB 4.34Å; P107-L190 HydrophobicContact CB-CD1 4.13Å; P107-L190 HydrophobicContact CG-CD1 3.97Å |
| 108 | T | 68.6 | Low | 80.3 | Confident | 42 Ų | 42 | 44.1 Ų | 44.1 | 26% | 0.258 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -61.9 | -23 | -168 | 58.2 | 0 | 0 | 0 | 0 | 114.9 | N10 D106 F113 | N10-T108 PolarHBondContact ND2-OG1 2.71Å; D106-T108 VanDerWaalsContact C-N 3.3Å; D106-T108 PolarHBondContact O-N 2.84Å; D106-T108 WeakPolarHBondContact OD1-CG2 3.22Å; D106-T108 PolarHBondContact OD1-N 2.94Å; D106-T108 PolarHBondContact OD1-OG1 2.95Å; D106-T108 VanDerWaalsContact OD1-OG1 3.14Å; D106-T108 PolarHBondContact OD2-OG1 2.76Å; T108-F113 HydrophobicContact CG2-CE1 4.17Å |
| 109 | S | 65.8 | Low | 80 | Confident | 8 Ų | 8 | 44.8 Ų | 44.8 | 6% | 0.056 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -90.4 | 1.4 | 176 | 54.4 | 0 | 0 | 0 | 0 | 113.9 | P107 | P107-S109 PolarHBondContact O-N 3.48Š|
| 110 | E | 76.3 | Confident | 79.8 | Confident | 29 Ų | 29 | 49.1 Ų | 49.1 | 14% | 0.136 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -82.2 | 129.7 | 179.2 | -67.3 | -70.5 | 172.7 | 0 | 0 | 110.8 | P107 W112 F113 T191 | P107-E110 VanDerWaalsContact O-CB 3.22Å; P107-E110 WeakPolarHBondContact O-CB 3.47Å; P107-E110 PolarHBondContact O-N 2.93Å; E110-W112 HydrophobicContact CB-CD2 4.02Å; E110-W112 HydrophobicContact CB-CG 4.44Å; E110-W112 HydrophobicContact CB-CH2 4.27Å; E110-W112 HydrophobicContact CB-CZ2 3.69Å; E110-W112 HydrophobicContact CG-CH2 4.23Å; E110-W112 HydrophobicContact CG-CZ2 3.56Å; E110-W112 PolarHBondContact O-N 3.45Å; E110-W112 PolarHBondContact OE2-NE1 2.82Å; E110-F113 HydrophobicContact CB-CB 4.16Å; E110-F113 PolarHBondContact O-N 3.38Å; E110-T191 WeakPolarHBondContact OE1-CG2 3.32Å; E110-T191 PolarHBondContact OE1-OG1 2.9Å |
| 111 | R | 77.9 | Confident | 79.5 | Confident | 102 Ų | 102 | 48 Ų | 48 | 39% | 0.385 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -25.1 | -178.2 | -74.3 | -173.8 | 71.3 | 177 | 6.3 | 114.8 | P215 T253 | R111-P215 HydrophobicContact CB-CB 4.03Å; R111-P215 HydrophobicContact CB-CG 4.25Å; R111-T253 HydrophobicContact CB-CG2 4.22Å; R111-T253 HydrophobicContact CG-CG2 3.29Å |
| 112 | W | 85.6 | Confident | 79.4 | Confident | 5 Ų | 5 | 45.9 Ų | 45.9 | 2% | 0.019 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | -7 | -179 | 47.8 | -95 | 0 | 0 | 0 | 112.2 | P107 E110 H114 F135 L136 V137 L190 V194 P215 | P107-W112 HydrophobicContact CB-CH2 4.32Å; E110-W112 HydrophobicContact CB-CD2 4.02Å; E110-W112 HydrophobicContact CB-CG 4.44Å; E110-W112 HydrophobicContact CB-CH2 4.27Å; E110-W112 HydrophobicContact CB-CZ2 3.69Å; E110-W112 HydrophobicContact CG-CH2 4.23Å; E110-W112 HydrophobicContact CG-CZ2 3.56Å; E110-W112 PolarHBondContact O-N 3.45Å; E110-W112 PolarHBondContact OE2-NE1 2.82Å; W112-H114 PolarHBondContact O-CD2 2.89Å; W112-F135 HydrophobicContact CB-CD2 4Å; W112-F135 HydrophobicContact CB-CE2 3.45Å; W112-F135 VanDerWaalsContact CB-CE2 3.45Å; W112-F135 HydrophobicContact CB-CZ 4.05Å; W112-F135 HydrophobicContact CD2-CE2 4.19Å; W112-F135 HydrophobicContact CG-CD2 4.5Å; W112-F135 AromaticContact CG-CE2 3.58Å; W112-F135 HydrophobicContact CG-CE2 3.58Å; W112-F135 HydrophobicContact CG-CZ 4.1Å; W112-L136 CarbonylContact O-C 3.46Å; W112-L136 VanDerWaalsContact O-CA 3.25Å; W112-L136 WeakPolarHBondContact O-CA 3.19Å; W112-V137 HydrophobicContact CD2-CG2 4.43Å; W112-V137 HydrophobicContact CE3-CB 3.52Å; W112-V137 HydrophobicContact CE3-CG2 3.33Å; W112-V137 HydrophobicContact CZ3-CB 3.57Å; W112-V137 HydrophobicContact CZ3-CG1 4.12Å; W112-V137 HydrophobicContact CZ3-CG2 3.47Å; W112-V137 VanDerWaalsContact CZ3-CG2 3.47Å; W112-V137 PolarHBondContact O-N 2.87Å; W112-L190 HydrophobicContact CH2-CB 3.86Å; W112-L190 HydrophobicContact CZ3-CB 4.37Å; W112-V194 HydrophobicContact CD2-CG1 4.3Å; W112-V194 HydrophobicContact CD2-CG2 4.26Å; W112-V194 HydrophobicContact CE3-CG2 4.1Å; W112-V194 HydrophobicContact CH2-CB 4.33Å; W112-V194 HydrophobicContact CH2-CG2 3.74Å; W112-V194 HydrophobicContact CZ2-CB 4.01Å; W112-V194 HydrophobicContact CZ2-CG1 4.26Å; W112-V194 HydrophobicContact CZ2-CG2 3.9Å; W112-V194 HydrophobicContact CZ3-CG2 3.85Å; W112-P215 HydrophobicContact CB-CB 3.85Å; W112-P215 HydrophobicContact CB-CG 4.12Å |
| 113 | F | 82.9 | Confident | 79.6 | Confident | 29 Ų | 29 | 48.9 Ų | 48.9 | 13% | 0.127 | 25% | 0.249 | C | C | . | . | B | Isolated β-bridge | trans | -92.2 | 125.3 | -179.8 | -173.3 | -100 | 0 | 0 | 0 | 110.7 | P107 T108 E110 V137 F147 L190 | P107-F113 HydrophobicContact CB-CB 4.3Å; P107-F113 HydrophobicContact CB-CD1 4.38Å; P107-F113 HydrophobicContact CB-CD2 3.78Å; P107-F113 HydrophobicContact CB-CE2 4.16Å; P107-F113 HydrophobicContact CB-CG 3.89Å; P107-F113 HydrophobicContact CG-CD1 4.26Å; P107-F113 HydrophobicContact CG-CD2 3.88Å; P107-F113 HydrophobicContact CG-CE1 4.12Å; P107-F113 HydrophobicContact CG-CE2 3.72Å; P107-F113 HydrophobicContact CG-CG 4.14Å; P107-F113 HydrophobicContact CG-CZ 3.85Å; P107-F113 VanDerWaalsContact O-CB 3.31Å; P107-F113 WeakPolarHBondContact O-CB 3.41Å; T108-F113 HydrophobicContact CG2-CE1 4.17Å; E110-F113 HydrophobicContact CB-CB 4.16Å; E110-F113 PolarHBondContact O-N 3.38Å; F113-V137 WeakPolarHBondContact CA-O 3.45Å; F113-V137 HydrophobicContact CD2-CB 4.35Å; F113-V137 HydrophobicContact CD2-CG1 4.22Å; F113-F147 AromaticContact CE2-CD1 3.84Å; F113-F147 HydrophobicContact CE2-CD1 3.84Å; F113-F147 AromaticContact CE2-CE1 3.72Å; F113-F147 HydrophobicContact CE2-CE1 3.72Å; F113-F147 HydrophobicContact CZ-CD1 4.45Å; F113-F147 AromaticContact CZ-CE1 3.96Å; F113-F147 HydrophobicContact CZ-CE1 3.96Å; F113-L190 HydrophobicContact CD2-CD1 4.35Å; F113-L190 HydrophobicContact CE2-CD1 4.05Å |
| 114 | H | 79.4 | Confident | 79.8 | Confident | 43 Ų | 43 | 51.1 Ų | 51.1 | 20% | 0.199 | 26% | 0.255 | C | S | . | . | trans | -117 | 7.8 | -175.2 | -74.5 | -129.3 | 0 | 0 | 0 | 112.9 | W112 H116 L117 V137 T218 | W112-H114 PolarHBondContact O-CD2 2.89Å; H114-H116 PolarHBondContact O-N 3.29Å; H114-L117 HydrophobicContact CB-CB 4.32Å; H114-L117 HydrophobicContact CB-CD2 3.96Å; H114-V137 PolarHBondContact N-O 3.11Å; H114-T218 WeakPolarHBondContact CE1-CG2 3.35Å | ||
| 115 | G | 78.2 | Confident | 80.1 | Confident | 13 Ų | 13 | 52.1 Ų | 52.1 | 13% | 0.134 | 26% | 0.259 | C | S | . | . | S | Bend | trans | 52.2 | -126.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L117 R138 E139 | G115-L117 PolarHBondContact O-N 3.12Å; G115-L117 VanDerWaalsContact O-N 3.08Å; G115-R138 CarbonylContact O-C 3.48Å; G115-R138 WeakPolarHBondContact O-CA 3.4Å; G115-E139 PolarHBondContact O-N 3.23Å |
| 116 | H | 73.9 | Confident | 80.7 | Confident | 139 Ų | 139 | 50 Ų | 50 | 64% | 0.644 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -75.7 | 94.9 | -178.5 | -155.2 | 78.6 | 0 | 0 | 0 | 112 | H114 E139 | H114-H116 PolarHBondContact O-N 3.29Å; H116-E139 IonicContact CG-OE2 2.7Å; H116-E139 IonicContact ND1-OE2 2.77Å; H116-E139 PolarHBondContact ND1-OE2 3.18Å; H116-E139 VanDerWaalsContact ND1-OE2 3.17Å |
| 117 | L | 79.6 | Confident | 81.5 | Confident | 21 Ų | 21 | 51.7 Ų | 51.7 | 11% | 0.11 | 25% | 0.253 | C | S | . | . | trans | -137.7 | 131.3 | 177.8 | -171.8 | 72.2 | 0 | 0 | 0 | 109.3 | H114 G115 E121 A122 L125 L136 R138 | H114-L117 HydrophobicContact CB-CB 4.32Å; H114-L117 HydrophobicContact CB-CD2 3.96Å; G115-L117 PolarHBondContact O-N 3.12Å; G115-L117 VanDerWaalsContact O-N 3.08Å; L117-E121 HydrophobicContact CD1-CB 3.62Å; L117-E121 HydrophobicContact CG-CB 4.1Å; L117-A122 HydrophobicContact CD2-CB 3.83Å; L117-A122 HydrophobicContact CG-CB 4.36Å; L117-L125 HydrophobicContact CD1-CD1 4.05Å; L117-L125 HydrophobicContact CD2-CD1 4.02Å; L117-L136 HydrophobicContact CD2-CD1 4.01Å; L117-L136 HydrophobicContact CD2-CD2 4.14Å; L117-R138 HydrophobicContact CB-CB 3.91Å; L117-R138 VanDerWaalsContact O-CD 3.3Å; L117-R138 WeakPolarHBondContact O-CD 3.14Å | ||
| 118 | S | 83 | Confident | 82.1 | Confident | 19 Ų | 19 | 56.7 Ų | 56.7 | 13% | 0.133 | 28% | 0.275 | C | S | . | . | trans | -72.6 | 160.4 | 177.1 | 72.6 | 0 | 0 | 0 | 0 | 112.1 | K120 E121 A122 Q141 | S118-K120 VanDerWaalsContact C-N 3.3Å; S118-K120 PolarHBondContact O-N 3.13Å; S118-E121 WeakPolarHBondContact CB-OE2 3.47Å; S118-E121 PolarHBondContact N-OE2 3.48Å; S118-E121 PolarHBondContact O-N 3.46Å; S118-E121 WeakPolarHBondContact OG-CB 3.27Å; S118-E121 WeakPolarHBondContact OG-CG 3.24Å; S118-E121 PolarHBondContact OG-N 2.76Å; S118-E121 VanDerWaalsContact OG-N 3.15Å; S118-E121 PolarHBondContact OG-OE2 3.05Å; S118-A122 WeakPolarHBondContact O-CB 3.49Å; S118-A122 PolarHBondContact O-N 3.46Å; S118-Q141 VanDerWaalsContact CB-NE2 3.34Å; S118-Q141 VanDerWaalsContact CB-OE1 3.24Å | ||
| 119 | G | 85.5 | Confident | 82.7 | Confident | 15 Ų | 15 | 58 Ų | 58 | 16% | 0.155 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.1 | -42.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A122 E123 R138 | G119-A122 WeakPolarHBondContact O-CB 3.4Å; G119-A122 PolarHBondContact O-N 3.32Å; G119-E123 WeakPolarHBondContact O-CG 3.39Å; G119-E123 PolarHBondContact O-N 3.01Å; G119-R138 VanDerWaalsContact CA-CZ 3.48Å; G119-R138 VanDerWaalsContact CA-NH2 3.31Å |
| 120 | K | 88.9 | Confident | 83.6 | Confident | 175 Ų | 175 | 58 Ų | 58 | 76% | 0.761 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -66 | -41.2 | 179.4 | -67.6 | -176.6 | 178 | -180 | 0 | 112.6 | S118 E123 K124 | S118-K120 VanDerWaalsContact C-N 3.3Å; S118-K120 PolarHBondContact O-N 3.13Å; K120-E123 PolarHBondContact O-N 3.25Å; K120-K124 WeakPolarHBondContact O-CB 3.47Å; K120-K124 PolarHBondContact O-N 2.77Å |
| 121 | E | 83.8 | Confident | 84.1 | Confident | 102 Ų | 102 | 62.3 Ų | 62.3 | 48% | 0.477 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.9 | -39.8 | 175.6 | -69.4 | 160.4 | 142 | 0 | 0 | 111.3 | L117 S118 K124 L125 | L117-E121 HydrophobicContact CD1-CB 3.62Å; L117-E121 HydrophobicContact CG-CB 4.1Å; S118-E121 WeakPolarHBondContact CB-OE2 3.47Å; S118-E121 PolarHBondContact N-OE2 3.48Å; S118-E121 PolarHBondContact O-N 3.46Å; S118-E121 WeakPolarHBondContact OG-CB 3.27Å; S118-E121 WeakPolarHBondContact OG-CG 3.24Å; S118-E121 PolarHBondContact OG-N 2.76Å; S118-E121 VanDerWaalsContact OG-N 3.15Å; S118-E121 PolarHBondContact OG-OE2 3.05Å; E121-K124 PolarHBondContact O-N 3.45Å; E121-L125 WeakPolarHBondContact O-CB 3.45Å; E121-L125 VanDerWaalsContact O-CG 3.29Å; E121-L125 WeakPolarHBondContact O-CG 3.34Å; E121-L125 PolarHBondContact O-N 3.14Å |
| 122 | A | 87.2 | Confident | 84.7 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62 | -45.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L117 S118 G119 L125 L126 L136 | L117-A122 HydrophobicContact CD2-CB 3.83Å; L117-A122 HydrophobicContact CG-CB 4.36Å; S118-A122 WeakPolarHBondContact O-CB 3.49Å; S118-A122 PolarHBondContact O-N 3.46Å; G119-A122 WeakPolarHBondContact O-CB 3.4Å; G119-A122 PolarHBondContact O-N 3.32Å; A122-L125 PolarHBondContact O-N 3.49Å; A122-L126 VanDerWaalsContact O-CB 3.3Å; A122-L126 WeakPolarHBondContact O-CB 3.3Å; A122-L126 WeakPolarHBondContact O-CG 3.28Å; A122-L126 PolarHBondContact O-N 3.16Å; A122-L136 HydrophobicContact CB-CD1 3.98Å; A122-L136 HydrophobicContact CB-CD2 4.27Å |
| 123 | E | 92.6 | Very high | 84.9 | Confident | 84 Ų | 84 | 59.3 Ų | 59.3 | 39% | 0.393 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.2 | -47.7 | 174.1 | -74.8 | 178.3 | 179.1 | 0 | 0 | 111.3 | G119 K120 L126 T127 V167 H169 | G119-E123 WeakPolarHBondContact O-CG 3.39Å; G119-E123 PolarHBondContact O-N 3.01Å; K120-E123 PolarHBondContact O-N 3.25Å; E123-L126 PolarHBondContact O-N 2.71Å; E123-T127 VanDerWaalsContact O-CB 3.24Å; E123-T127 WeakPolarHBondContact O-CB 3.37Å; E123-T127 PolarHBondContact O-N 3.44Å; E123-T127 PolarHBondContact O-OG1 3.16Å; E123-V167 HydrophobicContact CG-CB 4.06Å; E123-V167 HydrophobicContact CG-CG1 3.97Å; E123-H169 WeakPolarHBondContact CG-NE2 3.22Å; E123-H169 IonicContact OE1-CD2 3.03Å; E123-H169 IonicContact OE1-NE2 2.72Å; E123-H169 PolarHBondContact OE1-NE2 3.18Å |
| 124 | K | 88.5 | Confident | 85.3 | Confident | 126 Ų | 126 | 58.1 Ų | 58.1 | 55% | 0.548 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -56.7 | -52.6 | 177 | -177.4 | -178.6 | 176.6 | -174.8 | 0 | 111.2 | K120 E121 L126 T127 E128 | K120-K124 WeakPolarHBondContact O-CB 3.47Å; K120-K124 PolarHBondContact O-N 2.77Å; E121-K124 PolarHBondContact O-N 3.45Å; K124-L126 PolarHBondContact O-N 2.83Å; K124-T127 PolarHBondContact O-N 3.1Å; K124-E128 WeakPolarHBondContact CE-OE1 3.36Å; K124-E128 HydrophobicContact CG-CG 4.4Å; K124-E128 WeakPolarHBondContact CG-OE1 3.49Å; K124-E128 IonicContact NZ-OE1 3.93Å; K124-E128 WeakPolarHBondContact O-CB 3.07Å; K124-E128 WeakPolarHBondContact O-CG 3.07Å; K124-E128 PolarHBondContact O-N 2.75Å |
| 125 | L | 84.9 | Confident | 86 | Confident | 39 Ų | 39 | 56 Ų | 56 | 20% | 0.204 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.7 | -44 | -179.8 | -76.6 | 175.5 | 0 | 0 | 0 | 112.9 | L117 E121 A122 T127 K129 L216 | L117-L125 HydrophobicContact CD1-CD1 4.05Å; L117-L125 HydrophobicContact CD2-CD1 4.02Å; E121-L125 WeakPolarHBondContact O-CB 3.45Å; E121-L125 VanDerWaalsContact O-CG 3.29Å; E121-L125 WeakPolarHBondContact O-CG 3.34Å; E121-L125 PolarHBondContact O-N 3.14Å; A122-L125 PolarHBondContact O-N 3.49Å; L125-T127 VanDerWaalsContact C-N 3.29Å; L125-T127 PolarHBondContact O-N 2.86Å; L125-K129 WeakPolarHBondContact O-CB 3.46Å; L125-K129 PolarHBondContact O-N 3.36Å; L125-L216 HydrophobicContact CB-CD2 3.72Å |
| 126 | L | 89.3 | Confident | 86.7 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.8 | -32.6 | 176.9 | -79.2 | 164.8 | 0 | 0 | 0 | 111.8 | A122 E123 K124 G130 S134 L136 R152 V167 L216 | A122-L126 VanDerWaalsContact O-CB 3.3Å; A122-L126 WeakPolarHBondContact O-CB 3.3Å; A122-L126 WeakPolarHBondContact O-CG 3.28Å; A122-L126 PolarHBondContact O-N 3.16Å; E123-L126 PolarHBondContact O-N 2.71Å; K124-L126 PolarHBondContact O-N 2.83Å; L126-G130 WeakPolarHBondContact O-CA 3.4Å; L126-G130 PolarHBondContact O-N 3.21Å; L126-S134 WeakPolarHBondContact CD2-O 3.44Å; L126-L136 HydrophobicContact CD1-CD2 4.11Å; L126-L136 HydrophobicContact CD1-CG 4.24Å; L126-L136 HydrophobicContact CD2-CD2 4.42Å; L126-L136 HydrophobicContact CG-CD2 3.95Å; L126-R152 HydrophobicContact CB-CB 4.4Å; L126-R152 HydrophobicContact CD2-CB 4.25Å; L126-R152 WeakPolarHBondContact O-CD 3.45Å; L126-R152 PolarHBondContact O-NH1 2.79Å; L126-V167 HydrophobicContact CB-CG2 3.85Å; L126-V167 HydrophobicContact CD1-CG1 3.66Å; L126-V167 HydrophobicContact CD1-CG2 4.29Å; L126-L216 HydrophobicContact CD2-CB 4.4Å; L126-L216 HydrophobicContact CD2-CD1 4.2Å; L126-L216 HydrophobicContact CD2-CD2 4.41Å; L126-L216 HydrophobicContact CG-CD2 4.43Å |
| 127 | T | 88 | Confident | 87.6 | Confident | 81 Ų | 81 | 48.8 Ų | 48.8 | 50% | 0.497 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -74.7 | -43.4 | 177.7 | -56.3 | 0 | 0 | 0 | 0 | 111.7 | E123 K124 L125 R152 | E123-T127 VanDerWaalsContact O-CB 3.24Å; E123-T127 WeakPolarHBondContact O-CB 3.37Å; E123-T127 PolarHBondContact O-N 3.44Å; E123-T127 PolarHBondContact O-OG1 3.16Å; K124-T127 PolarHBondContact O-N 3.1Å; L125-T127 VanDerWaalsContact C-N 3.29Å; L125-T127 PolarHBondContact O-N 2.86Å; T127-R152 VanDerWaalsContact C-NH1 3.34Å; T127-R152 PolarHBondContact O-NH1 3.42Å |
| 128 | E | 84.2 | Confident | 88 | Confident | 118 Ų | 118 | 48.6 Ų | 48.6 | 55% | 0.551 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -75.6 | -42.4 | -178.4 | -71.1 | 172.8 | 175.9 | 0 | 0 | 112.7 | K124 | K124-E128 WeakPolarHBondContact CE-OE1 3.36Å; K124-E128 HydrophobicContact CG-CG 4.4Å; K124-E128 WeakPolarHBondContact CG-OE1 3.49Å; K124-E128 IonicContact NZ-OE1 3.93Å; K124-E128 WeakPolarHBondContact O-CB 3.07Å; K124-E128 WeakPolarHBondContact O-CG 3.07Å; K124-E128 PolarHBondContact O-N 2.75Å |
| 129 | K | 81.6 | Confident | 87.9 | Confident | 70 Ų | 70 | 51.4 Ų | 51.4 | 30% | 0.304 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -116.8 | -17 | -169.4 | -59.1 | -173.4 | 179.6 | -168.2 | 0 | 114.2 | L125 L216 | L125-K129 WeakPolarHBondContact O-CB 3.46Å; L125-K129 PolarHBondContact O-N 3.36Å; K129-L216 HydrophobicContact CB-CD1 4Å |
| 130 | G | 83.8 | Confident | 87.9 | Confident | 9 Ų | 9 | 51.1 Ų | 51.1 | 9% | 0.093 | 24% | 0.241 | C | C | . | . | trans | -78.2 | 168 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L126 R152 | L126-G130 WeakPolarHBondContact O-CA 3.4Å; L126-G130 PolarHBondContact O-N 3.21Å; G130-R152 PolarHBondContact O-NH1 3.38Å | ||
| 131 | K | 87.6 | Confident | 87.5 | Confident | 119 Ų | 119 | 47.9 Ų | 47.9 | 52% | 0.517 | 23% | 0.228 | S | C | . | . | trans | -135.7 | 178.7 | 167.7 | 64.2 | -173.8 | 179.6 | 174.1 | 0 | 108.5 | G133 S134 | K131-G133 PolarHBondContact O-N 2.94Å; K131-G133 VanDerWaalsContact O-N 3.16Å; K131-S134 PolarHBondContact N-OG 3.31Å; K131-S134 WeakPolarHBondContact O-CB 3.18Å; K131-S134 PolarHBondContact O-N 3.41Å; K131-S134 PolarHBondContact O-OG 2.85Å | ||
| 132 | H | 89.6 | Confident | 87.4 | Confident | 43 Ų | 43 | 47.4 Ų | 47.4 | 20% | 0.199 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.4 | 124.7 | 175.5 | 178.8 | 83.6 | 0 | 0 | 0 | 112 | S134 G154 D155 K213 Q214 | H132-S134 VanDerWaalsContact C-N 3.32Å; H132-G154 VanDerWaalsContact CB-O 3.32Å; H132-G154 WeakPolarHBondContact CB-O 3.44Å; H132-G154 PolarHBondContact ND1-N 3.13Å; H132-G154 PolarHBondContact ND1-O 3.17Å; H132-D155 IonicContact CG-OD1 3.05Å; H132-D155 IonicContact ND1-OD1 3.11Å; H132-K213 PolarHBondContact CD2-NZ 3.45Å; H132-K213 VanDerWaalsContact CD2-NZ 3.26Å; H132-K213 PolarHBondContact NE2-NZ 3.48Å; H132-Q214 PolarHBondContact O-NE2 2.66Å |
| 133 | G | 89.7 | Confident | 87.1 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 12.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | K131 R152 Q211 K213 Q214 | K131-G133 PolarHBondContact O-N 2.94Å; K131-G133 VanDerWaalsContact O-N 3.16Å; G133-R152 WeakPolarHBondContact CA-O 3.23Å; G133-R152 PolarHBondContact N-O 3.23Å; G133-Q211 WeakPolarHBondContact CA-O 3.25Å; G133-K213 PolarHBondContact O-N 3.38Å; G133-Q214 VanDerWaalsContact C-NE2 3.31Å; G133-Q214 PolarHBondContact O-N 2.91Å; G133-Q214 VanDerWaalsContact O-N 3.14Å |
| 134 | S | 91.9 | Very high | 86.4 | Confident | 4 Ų | 4 | 54.5 Ų | 54.5 | 3% | 0.028 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 135.4 | 168.8 | -78.9 | 0 | 0 | 0 | 0 | 110.1 | L126 K131 H132 R152 Q214 | L126-S134 WeakPolarHBondContact CD2-O 3.44Å; K131-S134 PolarHBondContact N-OG 3.31Å; K131-S134 WeakPolarHBondContact O-CB 3.18Å; K131-S134 PolarHBondContact O-N 3.41Å; K131-S134 PolarHBondContact O-OG 2.85Å; H132-S134 VanDerWaalsContact C-N 3.32Å; S134-R152 PolarHBondContact O-N 3.14Å; S134-Q214 CarbonylContact C-O 3.59Å; S134-Q214 VanDerWaalsContact CA-O 3.26Å; S134-Q214 WeakPolarHBondContact CA-O 3.39Å; S134-Q214 PolarHBondContact OG-NE2 2.89Å |
| 135 | F | 94.9 | Very high | 85.8 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 158.9 | -179.5 | 73.4 | -84.1 | 0 | 0 | 0 | 113.1 | W112 L149 S150 V151 V194 K198 L212 Q214 P215 L216 | W112-F135 HydrophobicContact CB-CD2 4Å; W112-F135 HydrophobicContact CB-CE2 3.45Å; W112-F135 VanDerWaalsContact CB-CE2 3.45Å; W112-F135 HydrophobicContact CB-CZ 4.05Å; W112-F135 HydrophobicContact CD2-CE2 4.19Å; W112-F135 HydrophobicContact CG-CD2 4.5Å; W112-F135 AromaticContact CG-CE2 3.58Å; W112-F135 HydrophobicContact CG-CE2 3.58Å; W112-F135 HydrophobicContact CG-CZ 4.1Å; F135-L149 HydrophobicContact CB-CD1 4.09Å; F135-L149 HydrophobicContact CD2-CD1 3.78Å; F135-L149 HydrophobicContact CG-CD1 4.34Å; F135-S150 CarbonylContact C-O 3.58Å; F135-S150 VanDerWaalsContact CA-O 3.23Å; F135-S150 WeakPolarHBondContact CA-O 3.46Å; F135-V151 HydrophobicContact CB-CB 4.44Å; F135-V151 HydrophobicContact CB-CG1 4.32Å; F135-V151 HydrophobicContact CB-CG2 4.03Å; F135-V194 HydrophobicContact CE2-CG1 3.7Å; F135-V194 HydrophobicContact CZ-CG1 3.96Å; F135-K198 HydrophobicContact CZ-CD 4.21Å; F135-L212 HydrophobicContact CB-CD2 3.82Å; F135-L212 HydrophobicContact CD1-CB 3.76Å; F135-L212 HydrophobicContact CD1-CD2 4.15Å; F135-L212 HydrophobicContact CD1-CG 4.49Å; F135-L212 HydrophobicContact CD2-CD2 4.32Å; F135-L212 HydrophobicContact CE1-CB 3.81Å; F135-L212 HydrophobicContact CG-CB 4.26Å; F135-L212 HydrophobicContact CG-CD2 3.85Å; F135-L212 HydrophobicContact CZ-CB 4.34Å; F135-Q214 VanDerWaalsContact CD1-C 3.48Å; F135-Q214 WeakPolarHBondContact CD1-O 3.49Å; F135-Q214 PolarHBondContact N-O 2.89Å; F135-P215 HydrophobicContact CE1-CG 4.35Å; F135-P215 HydrophobicContact CZ-CG 4.17Å; F135-P215 CarbonylContact O-C 3.57Å; F135-P215 WeakPolarHBondContact O-CA 3.33Å; F135-L216 PolarHBondContact O-N 2.78Å |
| 136 | L | 92.7 | Very high | 86 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 157.8 | 169.6 | 63.4 | 85.7 | 0 | 0 | 0 | 110.3 | W112 L117 A122 L126 R138 S150 L216 | W112-L136 CarbonylContact O-C 3.46Å; W112-L136 VanDerWaalsContact O-CA 3.25Å; W112-L136 WeakPolarHBondContact O-CA 3.19Å; L117-L136 HydrophobicContact CD2-CD1 4.01Å; L117-L136 HydrophobicContact CD2-CD2 4.14Å; A122-L136 HydrophobicContact CB-CD1 3.98Å; A122-L136 HydrophobicContact CB-CD2 4.27Å; L126-L136 HydrophobicContact CD1-CD2 4.11Å; L126-L136 HydrophobicContact CD1-CG 4.24Å; L126-L136 HydrophobicContact CD2-CD2 4.42Å; L126-L136 HydrophobicContact CG-CD2 3.95Å; L136-R138 HydrophobicContact CD1-CB 4.23Å; L136-R138 HydrophobicContact CD1-CG 4.26Å; L136-S150 PolarHBondContact N-O 2.85Å; L136-S150 PolarHBondContact O-N 2.82Å; L136-L216 HydrophobicContact CB-CB 4.46Å; L136-L216 HydrophobicContact CD2-CB 4.44Å; L136-L216 HydrophobicContact CD2-CD2 3.64Å |
| 137 | V | 92.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 136.6 | 171.3 | -179.4 | 0 | 0 | 0 | 0 | 108.6 | W112 F113 H114 F147 V148 L149 I172 L190 V194 | W112-V137 HydrophobicContact CD2-CG2 4.43Å; W112-V137 HydrophobicContact CE3-CB 3.52Å; W112-V137 HydrophobicContact CE3-CG2 3.33Å; W112-V137 HydrophobicContact CZ3-CB 3.57Å; W112-V137 HydrophobicContact CZ3-CG1 4.12Å; W112-V137 HydrophobicContact CZ3-CG2 3.47Å; W112-V137 VanDerWaalsContact CZ3-CG2 3.47Å; W112-V137 PolarHBondContact O-N 2.87Å; F113-V137 WeakPolarHBondContact CA-O 3.45Å; F113-V137 HydrophobicContact CD2-CB 4.35Å; F113-V137 HydrophobicContact CD2-CG1 4.22Å; H114-V137 PolarHBondContact N-O 3.11Å; V137-F147 HydrophobicContact CG1-CB 4.09Å; V137-V148 WeakPolarHBondContact CA-O 3.34Å; V137-L149 HydrophobicContact CG2-CB 4.32Å; V137-L149 HydrophobicContact CG2-CD1 3.84Å; V137-I172 HydrophobicContact CG1-CD1 4.09Å; V137-I172 HydrophobicContact CG2-CD1 4.47Å; V137-L190 HydrophobicContact CG1-CD1 4.32Å; V137-V194 HydrophobicContact CG2-CG2 4.06Å |
| 138 | R | 88.3 | Confident | 86.5 | Confident | 17 Ų | 17 | 48.1 Ų | 48.1 | 6% | 0.064 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 162.7 | -177.5 | 61.1 | -169.6 | -178.8 | 71.2 | -1 | 110.4 | G115 L117 G119 L136 F147 V148 S150 H169 | G115-R138 CarbonylContact O-C 3.48Å; G115-R138 WeakPolarHBondContact O-CA 3.4Å; L117-R138 HydrophobicContact CB-CB 3.91Å; L117-R138 VanDerWaalsContact O-CD 3.3Å; L117-R138 WeakPolarHBondContact O-CD 3.14Å; G119-R138 VanDerWaalsContact CA-CZ 3.48Å; G119-R138 VanDerWaalsContact CA-NH2 3.31Å; L136-R138 HydrophobicContact CD1-CB 4.23Å; L136-R138 HydrophobicContact CD1-CG 4.26Å; R138-F147 CarbonylContact O-C 3.58Å; R138-F147 VanDerWaalsContact O-CA 3.27Å; R138-F147 WeakPolarHBondContact O-CA 3.44Å; R138-F147 WeakPolarHBondContact O-CB 3.38Å; R138-V148 HydrophobicContact CG-CB 4.06Å; R138-V148 PolarHBondContact N-O 2.9Å; R138-V148 PolarHBondContact O-N 3.48Å; R138-S150 PolarHBondContact NE-OG 3.39Å; R138-S150 VanDerWaalsContact NE-OG 3.14Å; R138-H169 PolarHBondContact NH2-ND1 2.99Å |
| 139 | E | 81.7 | Confident | 87.1 | Confident | 77 Ų | 77 | 42.5 Ų | 42.5 | 36% | 0.36 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 145.1 | 171.3 | -68.4 | 176.7 | 178.7 | 0 | 0 | 111 | G115 H116 Q141 F147 | G115-E139 PolarHBondContact O-N 3.23Å; H116-E139 IonicContact CG-OE2 2.7Å; H116-E139 IonicContact ND1-OE2 2.77Å; H116-E139 PolarHBondContact ND1-OE2 3.18Å; H116-E139 VanDerWaalsContact ND1-OE2 3.17Å; E139-Q141 PolarHBondContact O-N 3.17Å; E139-F147 HydrophobicContact CG-CD1 4.32Å; E139-F147 HydrophobicContact CG-CE1 4.05Å |
| 140 | S | 83.9 | Confident | 87.7 | Confident | 9 Ų | 9 | 39.1 Ų | 39.1 | 6% | 0.063 | 22% | 0.22 | C | C | . | . | trans | -77.7 | 120.7 | 173.6 | -177.8 | 0 | 0 | 0 | 0 | 110.1 | S142 H143 D146 | S140-S142 VanDerWaalsContact C-N 3.28Å; S140-H143 WeakPolarHBondContact CB-O 3.4Å; S140-H143 PolarHBondContact OG-N 2.96Å; S140-H143 VanDerWaalsContact OG-N 3.16Å; S140-D146 VanDerWaalsContact CB-O 3.24Å; S140-D146 WeakPolarHBondContact CB-O 3.24Å; S140-D146 PolarHBondContact N-O 2.93Å | ||
| 141 | Q | 80.6 | Confident | 88.3 | Confident | 107 Ų | 107 | 38.7 Ų | 38.7 | 50% | 0.5 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -75.1 | -22.2 | 173.5 | -67 | -175.3 | -45.1 | 0 | 0 | 112.5 | S118 E139 | S118-Q141 VanDerWaalsContact CB-NE2 3.34Å; S118-Q141 VanDerWaalsContact CB-OE1 3.24Å; E139-Q141 PolarHBondContact O-N 3.17Å |
| 142 | S | 81.8 | Confident | 88.5 | Confident | 92 Ų | 92 | 33.9 Ų | 33.9 | 64% | 0.643 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -88.9 | -30.4 | -176.7 | -49 | 0 | 0 | 0 | 0 | 112.6 | S140 | S140-S142 VanDerWaalsContact C-N 3.28Š|
| 143 | H | 82.1 | Confident | 88.5 | Confident | 106 Ų | 106 | 32 Ų | 32 | 49% | 0.491 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -133.8 | 95.3 | -177.3 | -60.7 | 97.1 | 0 | 0 | 0 | 109.2 | S140 G145 D146 | S140-H143 WeakPolarHBondContact CB-O 3.4Å; S140-H143 PolarHBondContact OG-N 2.96Å; S140-H143 VanDerWaalsContact OG-N 3.16Å; H143-G145 PolarHBondContact O-N 3.09Å; H143-D146 HydrophobicContact CB-CB 4.01Å; H143-D146 WeakPolarHBondContact O-CB 3.39Å; H143-D146 PolarHBondContact O-N 3.4Å |
| 144 | P | 77.6 | Confident | 87.9 | Confident | 128 Ų | 128 | 33.1 Ų | 33.1 | 83% | 0.831 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 129.2 | 179.2 | -26.7 | 35.3 | 0 | 0 | 0 | 111.9 | ||
| 145 | G | 74.9 | Confident | 86.5 | Confident | 52 Ų | 52 | 38.3 Ų | 38.3 | 54% | 0.536 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 97 | -18.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | H143 F147 C174 | H143-G145 PolarHBondContact O-N 3.09Å; G145-F147 WeakPolarHBondContact O-CE2 3.48Å; G145-C174 WeakPolarHBondContact O-CB 3.25Å |
| 146 | D | 89.3 | Confident | 84.6 | Confident | 27 Ų | 27 | 43.4 Ų | 43.4 | 14% | 0.144 | 25% | 0.252 | C | S | . | . | trans | -89 | 167.6 | 171.3 | -72.6 | -11.1 | 0 | 0 | 0 | 111.5 | S140 H143 M171 I172 R173 C174 | S140-D146 VanDerWaalsContact CB-O 3.24Å; S140-D146 WeakPolarHBondContact CB-O 3.24Å; S140-D146 PolarHBondContact N-O 2.93Å; H143-D146 HydrophobicContact CB-CB 4.01Å; H143-D146 WeakPolarHBondContact O-CB 3.39Å; H143-D146 PolarHBondContact O-N 3.4Å; D146-M171 HydrophobicContact CB-SD 4.29Å; D146-I172 WeakPolarHBondContact CB-O 3.37Å; D146-R173 WeakPolarHBondContact OD1-CA 3.36Å; D146-C174 PolarHBondContact OD1-N 3.04Å | ||
| 147 | F | 93 | Very high | 82.6 | Confident | 26 Ų | 26 | 51.9 Ų | 51.9 | 11% | 0.114 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 167.8 | -179.3 | -59.4 | -91.4 | 0 | 0 | 0 | 111 | F113 V137 R138 E139 G145 M171 I172 Y179 L190 | F113-F147 AromaticContact CE2-CD1 3.84Å; F113-F147 HydrophobicContact CE2-CD1 3.84Å; F113-F147 AromaticContact CE2-CE1 3.72Å; F113-F147 HydrophobicContact CE2-CE1 3.72Å; F113-F147 HydrophobicContact CZ-CD1 4.45Å; F113-F147 AromaticContact CZ-CE1 3.96Å; F113-F147 HydrophobicContact CZ-CE1 3.96Å; V137-F147 HydrophobicContact CG1-CB 4.09Å; R138-F147 CarbonylContact O-C 3.58Å; R138-F147 VanDerWaalsContact O-CA 3.27Å; R138-F147 WeakPolarHBondContact O-CA 3.44Å; R138-F147 WeakPolarHBondContact O-CB 3.38Å; E139-F147 HydrophobicContact CG-CD1 4.32Å; E139-F147 HydrophobicContact CG-CE1 4.05Å; G145-F147 WeakPolarHBondContact O-CE2 3.48Å; F147-M171 VanDerWaalsContact O-SD 3.39Å; F147-I172 HydrophobicContact CB-CB 4Å; F147-I172 HydrophobicContact CB-CD1 4.34Å; F147-I172 HydrophobicContact CB-CG2 4.38Å; F147-I172 PolarHBondContact N-O 3.27Å; F147-I172 WeakPolarHBondContact O-CA 3.45Å; F147-I172 PolarHBondContact O-N 2.53Å; F147-I172 VanDerWaalsContact O-O 3.14Å; F147-Y179 HydrophobicContact CD2-CD1 4.32Å; F147-Y179 HydrophobicContact CD2-CE1 4.05Å; F147-Y179 HydrophobicContact CE2-CD1 4.44Å; F147-Y179 AromaticContact CE2-CE1 3.74Å; F147-Y179 HydrophobicContact CE2-CE1 3.74Å; F147-L190 HydrophobicContact CB-CD1 4.49Å; F147-L190 HydrophobicContact CB-CD2 4.39Å; F147-L190 HydrophobicContact CD1-CD1 3.76Å; F147-L190 HydrophobicContact CD2-CD1 3.97Å; F147-L190 HydrophobicContact CD2-CD2 4.08Å; F147-L190 HydrophobicContact CD2-CG 4.47Å; F147-L190 HydrophobicContact CE1-CD1 3.89Å; F147-L190 HydrophobicContact CE2-CD1 4.13Å; F147-L190 HydrophobicContact CG-CD1 3.79Å; F147-L190 HydrophobicContact CG-CD2 4.22Å; F147-L190 HydrophobicContact CZ-CD1 4.08Å |
| 148 | V | 95.4 | Very high | 80.6 | Confident | 6 Ų | 6 | 55.8 Ų | 55.8 | 4% | 0.036 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 123.4 | 176.7 | -173.8 | 0 | 0 | 0 | 0 | 109.6 | V137 R138 H169 V170 M171 | V137-V148 WeakPolarHBondContact CA-O 3.34Å; R138-V148 HydrophobicContact CG-CB 4.06Å; R138-V148 PolarHBondContact N-O 2.9Å; R138-V148 PolarHBondContact O-N 3.48Å; V148-H169 HydrophobicContact CG1-CB 3.84Å; V148-V170 CarbonylContact C-O 3.46Å; V148-V170 WeakPolarHBondContact CA-O 3.31Å; V148-M171 HydrophobicContact CG2-CE 4.08Å; V148-M171 HydrophobicContact CG2-SD 3.96Å |
| 149 | L | 96.1 | Very high | 78.5 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 116.9 | 169 | 169.7 | 61.2 | 0 | 0 | 0 | 109 | F135 V137 V151 H169 V170 I172 M202 L212 | F135-L149 HydrophobicContact CB-CD1 4.09Å; F135-L149 HydrophobicContact CD2-CD1 3.78Å; F135-L149 HydrophobicContact CG-CD1 4.34Å; V137-L149 HydrophobicContact CG2-CB 4.32Å; V137-L149 HydrophobicContact CG2-CD1 3.84Å; L149-V151 HydrophobicContact CD1-CG2 3.9Å; L149-V151 HydrophobicContact CD2-CG2 4.31Å; L149-V151 HydrophobicContact CG-CG2 3.75Å; L149-H169 CarbonylContact O-C 3.48Å; L149-H169 WeakPolarHBondContact O-CA 3.22Å; L149-V170 HydrophobicContact CB-CB 4.3Å; L149-V170 PolarHBondContact N-O 3.4Å; L149-V170 PolarHBondContact O-N 2.94Å; L149-I172 HydrophobicContact CB-CD1 3.78Å; L149-I172 HydrophobicContact CB-CG1 4.37Å; L149-M202 HydrophobicContact CD2-CE 3.57Å; L149-L212 HydrophobicContact CD1-CD2 4.14Å; L149-L212 HydrophobicContact CD2-CD1 4.1Å; L149-L212 HydrophobicContact CD2-CD2 4.15Å |
| 150 | S | 95.4 | Very high | 76.7 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 122.9 | 179.7 | -50.1 | 0 | 0 | 0 | 0 | 109.2 | F135 L136 R138 T168 H169 | F135-S150 CarbonylContact C-O 3.58Å; F135-S150 VanDerWaalsContact CA-O 3.23Å; F135-S150 WeakPolarHBondContact CA-O 3.46Å; L136-S150 PolarHBondContact N-O 2.85Å; L136-S150 PolarHBondContact O-N 2.82Å; R138-S150 PolarHBondContact NE-OG 3.39Å; R138-S150 VanDerWaalsContact NE-OG 3.14Å; S150-T168 CarbonylContact C-O 3.56Å; S150-T168 WeakPolarHBondContact CA-O 3.38Å; S150-H169 WeakPolarHBondContact CB-ND1 3.14Å; S150-H169 PolarHBondContact OG-CE1 3.44Å; S150-H169 PolarHBondContact OG-ND1 2.76Å |
| 151 | V | 95.3 | Very high | 74.9 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 128.5 | -171.2 | -170.3 | 0 | 0 | 0 | 0 | 110.4 | F135 L149 T153 V167 T168 L212 | F135-V151 HydrophobicContact CB-CB 4.44Å; F135-V151 HydrophobicContact CB-CG1 4.32Å; F135-V151 HydrophobicContact CB-CG2 4.03Å; L149-V151 HydrophobicContact CD1-CG2 3.9Å; L149-V151 HydrophobicContact CD2-CG2 4.31Å; L149-V151 HydrophobicContact CG-CG2 3.75Å; V151-T153 HydrophobicContact CG1-CG2 4.32Å; V151-V167 CarbonylContact O-C 3.59Å; V151-V167 WeakPolarHBondContact O-CA 3.34Å; V151-T168 PolarHBondContact N-O 3Å; V151-T168 PolarHBondContact O-N 2.88Å; V151-L212 HydrophobicContact CB-CD2 4.47Å; V151-L212 HydrophobicContact CG1-CD2 4.04Å; V151-L212 HydrophobicContact CG2-CD2 3.53Å |
| 152 | R | 92.9 | Very high | 73.5 | Confident | 17 Ų | 17 | 75.7 Ų | 75.7 | 6% | 0.064 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 127.6 | 170.9 | -179.8 | 168.7 | 173.4 | 173.7 | -1.4 | 110.7 | L126 T127 G130 G133 S134 D156 S165 K166 V167 | L126-R152 HydrophobicContact CB-CB 4.4Å; L126-R152 HydrophobicContact CD2-CB 4.25Å; L126-R152 WeakPolarHBondContact O-CD 3.45Å; L126-R152 PolarHBondContact O-NH1 2.79Å; T127-R152 VanDerWaalsContact C-NH1 3.34Å; T127-R152 PolarHBondContact O-NH1 3.42Å; G130-R152 PolarHBondContact O-NH1 3.38Å; G133-R152 WeakPolarHBondContact CA-O 3.23Å; G133-R152 PolarHBondContact N-O 3.23Å; S134-R152 PolarHBondContact O-N 3.14Å; R152-D156 IonicContact CZ-OD1 2.71Å; R152-D156 IonicContact NH2-OD1 3.59Å; R152-D156 PolarHBondContact NH2-OD1 3.38Å; R152-D156 IonicContact NH2-OD2 2.66Å; R152-S165 PolarHBondContact NE-OG 2.96Å; R152-K166 WeakPolarHBondContact CA-O 3.49Å; R152-V167 HydrophobicContact CB-CG2 4.48Å |
| 153 | T | 89 | Confident | 72.2 | Confident | 5 Ų | 5 | 73.4 Ų | 73.4 | 3% | 0.031 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 156.1 | 175.5 | 58.1 | 0 | 0 | 0 | 0 | 110.8 | V151 S165 K166 T208 L210 | V151-T153 HydrophobicContact CG1-CG2 4.32Å; T153-S165 CarbonylContact O-C 3.56Å; T153-S165 WeakPolarHBondContact O-CA 3.46Å; T153-K166 PolarHBondContact N-O 3.06Å; T153-K166 PolarHBondContact O-N 3.43Å; T153-K166 WeakPolarHBondContact OG1-CE 3.16Å; T153-K166 WeakPolarHBondContact OG1-CG 3.2Å; T153-T208 HydrophobicContact CG2-CG2 4.32Å; T153-L210 HydrophobicContact CG2-CD2 3.74Å |
| 154 | G | 77.3 | Confident | 71.5 | Confident | 23 Ų | 23 | 77.7 Ų | 77.7 | 24% | 0.237 | 45% | 0.451 | C | S | . | . | S | Bend | trans | 97.6 | 152.8 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | H132 | H132-G154 VanDerWaalsContact CB-O 3.32Å; H132-G154 WeakPolarHBondContact CB-O 3.44Å; H132-G154 PolarHBondContact ND1-N 3.13Å; H132-G154 PolarHBondContact ND1-O 3.17Å |
| 155 | D | 61.9 | Low | 71.5 | Confident | 112 Ų | 112 | 73.9 Ų | 73.9 | 60% | 0.599 | 43% | 0.427 | S | S | * | . | trans | -99.4 | 142.5 | -178.2 | -77.1 | -29.6 | 0 | 0 | 0 | 111.5 | H132 K157 | H132-D155 IonicContact CG-OD1 3.05Å; H132-D155 IonicContact ND1-OD1 3.11Å; D155-K157 PolarHBondContact O-N 3.39Å | ||
| 156 | D | 56 | Low | 72.2 | Confident | 107 Ų | 107 | 74.9 Ų | 74.9 | 57% | 0.572 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -75 | -4.3 | 176.8 | -62.4 | -38 | 0 | 0 | 0 | 113.1 | R152 | R152-D156 IonicContact CZ-OD1 2.71Å; R152-D156 IonicContact NH2-OD1 3.59Å; R152-D156 PolarHBondContact NH2-OD1 3.38Å; R152-D156 IonicContact NH2-OD2 2.66Å |
| 157 | K | 50.7 | Low | 72.3 | Confident | 178 Ų | 178 | 75 Ų | 75 | 77% | 0.774 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -95.8 | 100.8 | 177.2 | -66.1 | -172 | 177.9 | -173.7 | 0 | 108.8 | D155 E159 | D155-K157 PolarHBondContact O-N 3.39Å; K157-E159 VanDerWaalsContact C-N 3.26Å; K157-E159 PolarHBondContact O-N 3.36Å |
| 158 | G | 48.6 | Very low | 72.4 | Confident | 82 Ų | 82 | 74.7 Ų | 74.7 | 85% | 0.845 | 42% | 0.419 | S | S | * | . | trans | -67 | 70.6 | -178 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 159 | E | 45.6 | Very low | 72.3 | Confident | 190 Ų | 190 | 77.5 Ų | 77.5 | 89% | 0.888 | 43% | 0.431 | S | S | * | . | trans | -114.8 | 9.7 | 174.4 | -75.1 | -166.5 | 162.2 | 0 | 0 | 114.8 | K157 | K157-E159 VanDerWaalsContact C-N 3.26Å; K157-E159 PolarHBondContact O-N 3.36Å | ||
| 160 | S | 44.2 | Very low | 72.3 | Confident | 91 Ų | 91 | 78.5 Ų | 78.5 | 64% | 0.636 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -137.1 | 122.2 | 169 | 57.6 | 0 | 0 | 0 | 0 | 111.1 | D162 | S160-D162 PolarHBondContact O-N 2.85Š|
| 161 | N | 44.8 | Very low | 72.2 | Confident | 183 Ų | 183 | 81.8 Ų | 81.8 | 98% | 0.979 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | 14 | -175.4 | -91.9 | -16.8 | 0 | 0 | 0 | 116.1 | ||
| 162 | D | 50.4 | Low | 72.2 | Confident | 165 Ų | 165 | 81.8 Ų | 81.8 | 88% | 0.882 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -145.4 | 11.2 | -173.5 | -138.5 | 10.4 | 0 | 0 | 0 | 116.4 | S160 | S160-D162 PolarHBondContact O-N 2.85Š|
| 163 | G | 56.2 | Low | 72.2 | Confident | 44 Ų | 44 | 85 Ų | 85 | 45% | 0.454 | 47% | 0.466 | S | S | . | . | trans | -123.9 | 70 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | S165 | G163-S165 PolarHBondContact O-N 3.01Š| ||
| 164 | K | 66.2 | Low | 72.2 | Confident | 195 Ų | 195 | 86.6 Ų | 86.6 | 85% | 0.848 | 48% | 0.477 | S | S | * | . | trans | -60.3 | 133.6 | 169.4 | -76.2 | -177.1 | -179.5 | 176.9 | 0 | 109.7 | K166 | K164-K166 PolarHBondContact O-N 3.42Å; K164-K166 VanDerWaalsContact O-N 3.16Å | ||
| 165 | S | 78.4 | Confident | 72.7 | Confident | 48 Ų | 48 | 89.6 Ų | 89.6 | 34% | 0.336 | 49% | 0.485 | S | S | . | . | trans | -51.7 | 122 | 169.1 | 171.1 | 0 | 0 | 0 | 0 | 109.1 | R152 T153 G163 | R152-S165 PolarHBondContact NE-OG 2.96Å; T153-S165 CarbonylContact O-C 3.56Å; T153-S165 WeakPolarHBondContact O-CA 3.46Å; G163-S165 PolarHBondContact O-N 3.01Å | ||
| 166 | K | 89.2 | Confident | 73.8 | Confident | 74 Ų | 74 | 92 Ų | 92 | 32% | 0.322 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 151 | -178.8 | 70.7 | 173.3 | 178.8 | 178.5 | 0 | 110.7 | R152 T153 K164 E204 T208 | R152-K166 WeakPolarHBondContact CA-O 3.49Å; T153-K166 PolarHBondContact N-O 3.06Å; T153-K166 PolarHBondContact O-N 3.43Å; T153-K166 WeakPolarHBondContact OG1-CE 3.16Å; T153-K166 WeakPolarHBondContact OG1-CG 3.2Å; K164-K166 PolarHBondContact O-N 3.42Å; K164-K166 VanDerWaalsContact O-N 3.16Å; K166-E204 IonicContact NZ-OE1 3.88Å; K166-E204 IonicContact NZ-OE2 3.65Å; K166-E204 PolarHBondContact NZ-OE2 2.91Å; K166-T208 PolarHBondContact NZ-OG1 3.49Å |
| 167 | V | 92.4 | Very high | 74.9 | Confident | 28 Ų | 28 | 93.1 Ų | 93.1 | 17% | 0.17 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 121.8 | 169.3 | 176.2 | 0 | 0 | 0 | 0 | 107.9 | E123 L126 V151 R152 | E123-V167 HydrophobicContact CG-CB 4.06Å; E123-V167 HydrophobicContact CG-CG1 3.97Å; L126-V167 HydrophobicContact CB-CG2 3.85Å; L126-V167 HydrophobicContact CD1-CG1 3.66Å; L126-V167 HydrophobicContact CD1-CG2 4.29Å; V151-V167 CarbonylContact O-C 3.59Å; V151-V167 WeakPolarHBondContact O-CA 3.34Å; R152-V167 HydrophobicContact CB-CG2 4.48Å |
| 168 | T | 93.6 | Very high | 76.7 | Confident | 20 Ų | 20 | 88.1 Ų | 88.1 | 12% | 0.123 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 135.1 | 174.7 | -61.1 | 0 | 0 | 0 | 0 | 109.1 | S150 V151 V170 E204 L210 | S150-T168 CarbonylContact C-O 3.56Å; S150-T168 WeakPolarHBondContact CA-O 3.38Å; V151-T168 PolarHBondContact N-O 3Å; V151-T168 PolarHBondContact O-N 2.88Å; T168-V170 HydrophobicContact CG2-CG2 4.27Å; T168-E204 WeakPolarHBondContact CB-OE1 3.29Å; T168-E204 WeakPolarHBondContact CG2-OE1 3.32Å; T168-E204 PolarHBondContact OG1-OE1 3.38Å; T168-L210 HydrophobicContact CG2-CD1 4.01Å; T168-L210 HydrophobicContact CG2-CD2 4.1Å |
| 169 | H | 94.3 | Very high | 78.8 | Confident | 65 Ų | 65 | 85.8 Ų | 85.8 | 30% | 0.301 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 120.6 | 173.5 | -63.1 | -68 | 0 | 0 | 0 | 110.6 | E123 R138 V148 L149 S150 | E123-H169 WeakPolarHBondContact CG-NE2 3.22Å; E123-H169 IonicContact OE1-CD2 3.03Å; E123-H169 IonicContact OE1-NE2 2.72Å; E123-H169 PolarHBondContact OE1-NE2 3.18Å; R138-H169 PolarHBondContact NH2-ND1 2.99Å; V148-H169 HydrophobicContact CG1-CB 3.84Å; L149-H169 CarbonylContact O-C 3.48Å; L149-H169 WeakPolarHBondContact O-CA 3.22Å; S150-H169 WeakPolarHBondContact CB-ND1 3.14Å; S150-H169 PolarHBondContact OG-CE1 3.44Å; S150-H169 PolarHBondContact OG-ND1 2.76Å |
| 170 | V | 94.9 | Very high | 81.2 | Confident | 21 Ų | 21 | 77 Ų | 77 | 13% | 0.127 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 122.8 | 176.4 | -178.1 | 0 | 0 | 0 | 0 | 108.6 | V148 L149 T168 V181 M202 L210 | V148-V170 CarbonylContact C-O 3.46Å; V148-V170 WeakPolarHBondContact CA-O 3.31Å; L149-V170 HydrophobicContact CB-CB 4.3Å; L149-V170 PolarHBondContact N-O 3.4Å; L149-V170 PolarHBondContact O-N 2.94Å; T168-V170 HydrophobicContact CG2-CG2 4.27Å; V170-V181 HydrophobicContact CG1-CB 3.99Å; V170-V181 HydrophobicContact CG1-CG1 4.07Å; V170-M202 HydrophobicContact CB-CE 4.44Å; V170-M202 HydrophobicContact CG1-CE 4.22Å; V170-M202 HydrophobicContact CG1-SD 3.95Å; V170-M202 HydrophobicContact CG2-CE 4.06Å; V170-M202 HydrophobicContact CG2-SD 4.43Å; V170-L210 HydrophobicContact CG2-CD1 3.66Å |
| 171 | M | 94.5 | Very high | 83.5 | Confident | 70 Ų | 70 | 74.2 Ų | 74.2 | 35% | 0.345 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 134.1 | 176.7 | -170.1 | 61.8 | 64.7 | 0 | 0 | 110 | D146 F147 V148 R173 V181 | D146-M171 HydrophobicContact CB-SD 4.29Å; F147-M171 VanDerWaalsContact O-SD 3.39Å; V148-M171 HydrophobicContact CG2-CE 4.08Å; V148-M171 HydrophobicContact CG2-SD 3.96Å; M171-R173 HydrophobicContact CG-CG 4.41Å; M171-V181 WeakPolarHBondContact O-CA 3.47Å |
| 172 | I | 95.7 | Very high | 85.5 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 112.5 | 171.9 | -62 | 162.9 | 0 | 0 | 0 | 107.4 | V137 D146 F147 L149 Y179 D180 V181 L190 L193 | V137-I172 HydrophobicContact CG1-CD1 4.09Å; V137-I172 HydrophobicContact CG2-CD1 4.47Å; D146-I172 WeakPolarHBondContact CB-O 3.37Å; F147-I172 HydrophobicContact CB-CB 4Å; F147-I172 HydrophobicContact CB-CD1 4.34Å; F147-I172 HydrophobicContact CB-CG2 4.38Å; F147-I172 PolarHBondContact N-O 3.27Å; F147-I172 WeakPolarHBondContact O-CA 3.45Å; F147-I172 PolarHBondContact O-N 2.53Å; F147-I172 VanDerWaalsContact O-O 3.14Å; L149-I172 HydrophobicContact CB-CD1 3.78Å; L149-I172 HydrophobicContact CB-CG1 4.37Å; I172-Y179 HydrophobicContact CG2-CD1 4.29Å; I172-D180 CarbonylContact C-O 3.6Å; I172-D180 VanDerWaalsContact CA-O 3.3Å; I172-D180 WeakPolarHBondContact CA-O 3.23Å; I172-V181 HydrophobicContact CG1-CG1 4.07Å; I172-L190 HydrophobicContact CD1-CD2 4.28Å; I172-L190 HydrophobicContact CG2-CD2 3.71Å; I172-L193 HydrophobicContact CD1-CD2 4.08Å; I172-L193 HydrophobicContact CG1-CD1 4.4Å; I172-L193 HydrophobicContact CG1-CD2 4.34Å; I172-L193 HydrophobicContact CG2-CD1 3.73Å |
| 173 | R | 92.6 | Very high | 87 | Confident | 85 Ų | 85 | 62 Ų | 62 | 32% | 0.321 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 140.4 | 179.3 | -60.3 | -176.6 | -60.1 | -170.8 | 0.6 | 110.3 | D146 M171 Y179 D180 G182 | D146-R173 WeakPolarHBondContact OD1-CA 3.36Å; M171-R173 HydrophobicContact CG-CG 4.41Å; R173-Y179 VanDerWaalsContact O-CA 3.32Å; R173-Y179 WeakPolarHBondContact O-CA 3.12Å; R173-D180 IonicContact CZ-OD1 3Å; R173-D180 VanDerWaalsContact CZ-OD1 3.3Å; R173-D180 PolarHBondContact N-O 2.99Å; R173-D180 IonicContact NE-OD1 3.97Å; R173-D180 PolarHBondContact NE-OD1 3.17Å; R173-D180 IonicContact NE-OD2 2.79Å; R173-D180 IonicContact NH2-OD1 3.81Å; R173-D180 PolarHBondContact NH2-OD1 3.03Å; R173-D180 IonicContact NH2-OD2 3.4Å; R173-D180 PolarHBondContact O-N 3.05Å; R173-D180 VanDerWaalsContact O-N 3.1Å; R173-G182 PolarHBondContact NH2-O 3.18Å |
| 174 | C | 89.4 | Confident | 88.5 | Confident | 38 Ų | 38 | 63.6 Ų | 63.6 | 26% | 0.257 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 108.6 | 171 | -173.9 | 0 | 0 | 0 | 0 | 109.4 | G145 D146 K178 Y179 | G145-C174 WeakPolarHBondContact O-CB 3.25Å; D146-C174 PolarHBondContact OD1-N 3.04Å; C174-K178 CarbonylContact C-O 3.6Å; C174-K178 WeakPolarHBondContact CA-O 3.47Å; C174-Y179 HydrophobicContact CB-CD1 4.25Å; C174-Y179 HydrophobicContact CB-CE1 4.15Å |
| 175 | Q | 86.2 | Confident | 89.7 | Confident | 86 Ų | 86 | 59.7 Ų | 59.7 | 40% | 0.402 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 125.4 | 179.9 | -61.7 | -179.8 | 7.5 | 0 | 0 | 109.2 | L177 K178 R186 | Q175-L177 PolarHBondContact O-N 2.9Å; Q175-K178 PolarHBondContact N-O 3.1Å; Q175-K178 PolarHBondContact O-N 2.88Å; Q175-R186 PolarHBondContact O-NH2 3.04Å |
| 176 | E | 85.5 | Confident | 90.4 | Very high | 161 Ų | 161 | 62.2 Ų | 62.2 | 75% | 0.752 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 39.5 | -178.3 | -48.5 | 171.4 | 142 | 0 | 0 | 113.2 | K178 R186 | E176-K178 PolarHBondContact O-N 3.05Å; E176-R186 IonicContact OE2-CZ 3.8Å; E176-R186 IonicContact OE2-NH1 3.76Å; E176-R186 PolarHBondContact OE2-NH1 3.3Å; E176-R186 IonicContact OE2-NH2 2.72Å; E176-R186 PolarHBondContact OE2-NH2 3Å |
| 177 | L | 79.7 | Confident | 90.5 | Very high | 131 Ų | 131 | 59.5 Ų | 59.5 | 69% | 0.686 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | 21.7 | -175.9 | -54.8 | 171.2 | 0 | 0 | 0 | 114.6 | Q175 | Q175-L177 PolarHBondContact O-N 2.9Š|
| 178 | K | 89 | Confident | 90.3 | Very high | 74 Ų | 74 | 63.1 Ų | 63.1 | 32% | 0.322 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 155.4 | 169.5 | -63.1 | -165.5 | 179.6 | -126.5 | 0 | 111.1 | C174 Q175 E176 R186 F187 D188 | C174-K178 CarbonylContact C-O 3.6Å; C174-K178 WeakPolarHBondContact CA-O 3.47Å; Q175-K178 PolarHBondContact N-O 3.1Å; Q175-K178 PolarHBondContact O-N 2.88Å; E176-K178 PolarHBondContact O-N 3.05Å; K178-R186 HydrophobicContact CB-CB 4.27Å; K178-R186 HydrophobicContact CD-CB 4.14Å; K178-F187 CarbonylContact C-O 3.58Å; K178-F187 VanDerWaalsContact CA-O 3.22Å; K178-F187 WeakPolarHBondContact CA-O 3.37Å; K178-F187 WeakPolarHBondContact CB-O 3.44Å; K178-D188 WeakPolarHBondContact CE-OD1 3.44Å; K178-D188 IonicContact NZ-OD1 3.62Å; K178-D188 PolarHBondContact NZ-OD1 3.41Å |
| 179 | Y | 92.6 | Very high | 90 | Very high | 32 Ų | 32 | 62.3 Ų | 62.3 | 13% | 0.125 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 136.3 | -172.8 | -53.7 | -85.7 | 0 | 0 | 0 | 111.5 | F147 I172 R173 C174 F187 S189 L190 | F147-Y179 HydrophobicContact CD2-CD1 4.32Å; F147-Y179 HydrophobicContact CD2-CE1 4.05Å; F147-Y179 HydrophobicContact CE2-CD1 4.44Å; F147-Y179 AromaticContact CE2-CE1 3.74Å; F147-Y179 HydrophobicContact CE2-CE1 3.74Å; I172-Y179 HydrophobicContact CG2-CD1 4.29Å; R173-Y179 VanDerWaalsContact O-CA 3.32Å; R173-Y179 WeakPolarHBondContact O-CA 3.12Å; C174-Y179 HydrophobicContact CB-CD1 4.25Å; C174-Y179 HydrophobicContact CB-CE1 4.15Å; Y179-F187 PolarHBondContact N-O 2.84Å; Y179-F187 WeakPolarHBondContact O-CD2 3.26Å; Y179-F187 PolarHBondContact O-N 2.91Å; Y179-S189 VanDerWaalsContact CD2-C 3.46Å; Y179-L190 HydrophobicContact CD1-CD2 3.42Å; Y179-L190 VanDerWaalsContact CD1-CD2 3.42Å; Y179-L190 HydrophobicContact CD1-CG 3.91Å; Y179-L190 HydrophobicContact CE1-CD2 3.86Å; Y179-L190 HydrophobicContact CE1-CG 3.86Å; Y179-L190 HydrophobicContact CG-CD2 3.83Å; Y179-L190 HydrophobicContact CG-CG 4.28Å |
| 180 | D | 94.4 | Very high | 89.7 | Confident | 6 Ų | 6 | 59.2 Ų | 59.2 | 3% | 0.032 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 165 | 174 | 74.2 | 86.3 | 0 | 0 | 0 | 111.5 | I172 R173 G182 R186 | I172-D180 CarbonylContact C-O 3.6Å; I172-D180 VanDerWaalsContact CA-O 3.3Å; I172-D180 WeakPolarHBondContact CA-O 3.23Å; R173-D180 IonicContact CZ-OD1 3Å; R173-D180 VanDerWaalsContact CZ-OD1 3.3Å; R173-D180 PolarHBondContact N-O 2.99Å; R173-D180 IonicContact NE-OD1 3.97Å; R173-D180 PolarHBondContact NE-OD1 3.17Å; R173-D180 IonicContact NE-OD2 2.79Å; R173-D180 IonicContact NH2-OD1 3.81Å; R173-D180 PolarHBondContact NH2-OD1 3.03Å; R173-D180 IonicContact NH2-OD2 3.4Å; R173-D180 PolarHBondContact O-N 3.05Å; R173-D180 VanDerWaalsContact O-N 3.1Å; D180-G182 PolarHBondContact OD1-N 2.65Å; D180-R186 HydrophobicContact CB-CG 4.31Å |
| 181 | V | 93.5 | Very high | 89.3 | Confident | 33 Ų | 33 | 58.9 Ų | 58.9 | 20% | 0.2 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -106.2 | 22.5 | -177.5 | -62.4 | 0 | 0 | 0 | 0 | 114 | V170 M171 I172 L193 Y197 M202 | V170-V181 HydrophobicContact CG1-CB 3.99Å; V170-V181 HydrophobicContact CG1-CG1 4.07Å; M171-V181 WeakPolarHBondContact O-CA 3.47Å; I172-V181 HydrophobicContact CG1-CG1 4.07Å; V181-L193 HydrophobicContact CG1-CD1 4.19Å; V181-L193 HydrophobicContact CG1-CD2 4.31Å; V181-Y197 HydrophobicContact CG1-CE2 3.89Å; V181-Y197 HydrophobicContact CG2-CE2 4Å; V181-Y197 WeakPolarHBondContact CG2-OH 3.47Å; V181-M202 HydrophobicContact CG1-SD 4.45Å; V181-M202 HydrophobicContact CG2-SD 4.22Å |
| 182 | G | 85.7 | Confident | 89.1 | Confident | 47 Ų | 47 | 58 Ų | 58 | 49% | 0.485 | 32% | 0.322 | S | S | . | . | S | Bend | trans | 114 | -22 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | R173 D180 | R173-G182 PolarHBondContact NH2-O 3.18Å; D180-G182 PolarHBondContact OD1-N 2.65Å |
| 183 | G | 82.6 | Confident | 89.1 | Confident | 45 Ų | 45 | 58 Ų | 58 | 46% | 0.464 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -178.4 | 170.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 184 | G | 87.6 | Confident | 89 | Confident | 77 Ų | 77 | 54 Ų | 54 | 79% | 0.794 | 31% | 0.307 | S | S | * | . | S | Bend | trans | 89.7 | -140.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 185 | E | 90.8 | Very high | 89 | Confident | 112 Ų | 112 | 55.7 Ų | 55.7 | 52% | 0.523 | 31% | 0.311 | S | S | . | . | trans | -73.6 | 148.3 | -178.8 | -62.3 | -169.1 | 144.9 | 0 | 0 | 112.1 | F187 H196 | E185-F187 HydrophobicContact CB-CE1 4.22Å; E185-F187 HydrophobicContact CB-CE2 4.1Å; E185-F187 HydrophobicContact CB-CZ 3.73Å; E185-F187 WeakPolarHBondContact O-CE2 3.38Å; E185-H196 IonicContact OE2-CE1 3.73Å; E185-H196 PolarHBondContact OE2-CE1 2.86Å; E185-H196 IonicContact OE2-ND1 2.68Å; E185-H196 PolarHBondContact OE2-ND1 2.96Å; E185-H196 VanDerWaalsContact OE2-ND1 3.11Å | ||
| 186 | R | 93.6 | Very high | 89.4 | Confident | 101 Ų | 101 | 53.9 Ų | 53.9 | 38% | 0.381 | 30% | 0.302 | S | S | . | . | trans | -104.3 | 131.8 | 170.2 | -68 | 177.3 | 71.4 | -165 | 1.6 | 108.9 | Q175 E176 K178 D180 | Q175-R186 PolarHBondContact O-NH2 3.04Å; E176-R186 IonicContact OE2-CZ 3.8Å; E176-R186 IonicContact OE2-NH1 3.76Å; E176-R186 PolarHBondContact OE2-NH1 3.3Å; E176-R186 IonicContact OE2-NH2 2.72Å; E176-R186 PolarHBondContact OE2-NH2 3Å; K178-R186 HydrophobicContact CB-CB 4.27Å; K178-R186 HydrophobicContact CD-CB 4.14Å; D180-R186 HydrophobicContact CB-CG 4.31Å | ||
| 187 | F | 92.4 | Very high | 89.8 | Confident | 18 Ų | 18 | 47.3 Ų | 47.3 | 8% | 0.079 | 27% | 0.271 | C | S | . | . | B | Isolated β-bridge | trans | -108.6 | 148.1 | -174.8 | -58.1 | -81.4 | 0 | 0 | 0 | 111.8 | K178 Y179 E185 S189 D192 L193 H196 Y197 | K178-F187 CarbonylContact C-O 3.58Å; K178-F187 VanDerWaalsContact CA-O 3.22Å; K178-F187 WeakPolarHBondContact CA-O 3.37Å; K178-F187 WeakPolarHBondContact CB-O 3.44Å; Y179-F187 PolarHBondContact N-O 2.84Å; Y179-F187 WeakPolarHBondContact O-CD2 3.26Å; Y179-F187 PolarHBondContact O-N 2.91Å; E185-F187 HydrophobicContact CB-CE1 4.22Å; E185-F187 HydrophobicContact CB-CE2 4.1Å; E185-F187 HydrophobicContact CB-CZ 3.73Å; E185-F187 WeakPolarHBondContact O-CE2 3.38Å; F187-S189 VanDerWaalsContact C-N 3.33Å; F187-D192 HydrophobicContact CB-CB 4.3Å; F187-D192 HydrophobicContact CD1-CB 4.29Å; F187-L193 HydrophobicContact CB-CB 3.98Å; F187-L193 HydrophobicContact CD2-CB 3.65Å; F187-L193 HydrophobicContact CD2-CD1 3.9Å; F187-L193 HydrophobicContact CD2-CG 3.74Å; F187-L193 HydrophobicContact CE2-CB 4.32Å; F187-L193 HydrophobicContact CE2-CD1 4.5Å; F187-L193 HydrophobicContact CE2-CG 4.11Å; F187-L193 HydrophobicContact CG-CB 3.81Å; F187-L193 HydrophobicContact CG-CG 4.42Å; F187-H196 HydrophobicContact CD1-CB 4.44Å; F187-H196 HydrophobicContact CE1-CB 3.51Å; F187-H196 AromaticContact CE1-CG 3.61Å; F187-H196 AromaticContact CE1-ND1 3.68Å; F187-H196 HydrophobicContact CZ-CB 3.68Å; F187-H196 AromaticContact CZ-CD2 3.83Å; F187-H196 AromaticContact CZ-CG 3.46Å; F187-H196 VanDerWaalsContact CZ-CG 3.46Å; F187-H196 AromaticContact CZ-ND1 3.72Å; F187-Y197 AromaticContact CE2-CE2 3.92Å; F187-Y197 HydrophobicContact CE2-CE2 3.92Å; F187-Y197 HydrophobicContact CZ-CE2 4.4Å |
| 188 | D | 88.1 | Confident | 90.3 | Very high | 103 Ų | 103 | 44.7 Ų | 44.7 | 55% | 0.551 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -79.6 | -16.2 | -180 | -63 | -29.9 | 0 | 0 | 0 | 112.9 | K178 | K178-D188 WeakPolarHBondContact CE-OD1 3.44Å; K178-D188 IonicContact NZ-OD1 3.62Å; K178-D188 PolarHBondContact NZ-OD1 3.41Å |
| 189 | S | 87.8 | Confident | 90.5 | Very high | 4 Ų | 4 | 48.9 Ų | 48.9 | 3% | 0.028 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -147.9 | 157.6 | 176.2 | 72.6 | 0 | 0 | 0 | 0 | 112.2 | Y179 F187 T191 D192 L193 | Y179-S189 VanDerWaalsContact CD2-C 3.46Å; F187-S189 VanDerWaalsContact C-N 3.33Å; S189-T191 PolarHBondContact O-N 3.08Å; S189-D192 PolarHBondContact O-N 2.94Å; S189-D192 PolarHBondContact OG-N 2.73Å; S189-D192 PolarHBondContact OG-OD2 2.81Å; S189-L193 PolarHBondContact O-N 3.38Å; S189-L193 VanDerWaalsContact O-N 3.13Å |
| 190 | L | 87.2 | Confident | 90.5 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.3 | -33.2 | 170.8 | -70.6 | -179.7 | 0 | 0 | 0 | 111.8 | P107 W112 F113 V137 F147 I172 Y179 L193 V194 | P107-L190 HydrophobicContact CB-CB 4.34Å; P107-L190 HydrophobicContact CB-CD1 4.13Å; P107-L190 HydrophobicContact CG-CD1 3.97Å; W112-L190 HydrophobicContact CH2-CB 3.86Å; W112-L190 HydrophobicContact CZ3-CB 4.37Å; F113-L190 HydrophobicContact CD2-CD1 4.35Å; F113-L190 HydrophobicContact CE2-CD1 4.05Å; V137-L190 HydrophobicContact CG1-CD1 4.32Å; F147-L190 HydrophobicContact CB-CD1 4.49Å; F147-L190 HydrophobicContact CB-CD2 4.39Å; F147-L190 HydrophobicContact CD1-CD1 3.76Å; F147-L190 HydrophobicContact CD2-CD1 3.97Å; F147-L190 HydrophobicContact CD2-CD2 4.08Å; F147-L190 HydrophobicContact CD2-CG 4.47Å; F147-L190 HydrophobicContact CE1-CD1 3.89Å; F147-L190 HydrophobicContact CE2-CD1 4.13Å; F147-L190 HydrophobicContact CG-CD1 3.79Å; F147-L190 HydrophobicContact CG-CD2 4.22Å; F147-L190 HydrophobicContact CZ-CD1 4.08Å; I172-L190 HydrophobicContact CD1-CD2 4.28Å; I172-L190 HydrophobicContact CG2-CD2 3.71Å; Y179-L190 HydrophobicContact CD1-CD2 3.42Å; Y179-L190 VanDerWaalsContact CD1-CD2 3.42Å; Y179-L190 HydrophobicContact CD1-CG 3.91Å; Y179-L190 HydrophobicContact CE1-CD2 3.86Å; Y179-L190 HydrophobicContact CE1-CG 3.86Å; Y179-L190 HydrophobicContact CG-CD2 3.83Å; Y179-L190 HydrophobicContact CG-CG 4.28Å; L190-L193 PolarHBondContact O-N 2.87Å; L190-V194 WeakPolarHBondContact O-CB 3.36Å; L190-V194 WeakPolarHBondContact O-CG2 3.47Å; L190-V194 PolarHBondContact O-N 3Å |
| 191 | T | 86.9 | Confident | 90.4 | Very high | 13 Ų | 13 | 53.4 Ų | 53.4 | 8% | 0.08 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.2 | -43.4 | 176.2 | -58.4 | 0 | 0 | 0 | 0 | 111.6 | E110 S189 L193 V194 E195 | E110-T191 WeakPolarHBondContact OE1-CG2 3.32Å; E110-T191 PolarHBondContact OE1-OG1 2.9Å; S189-T191 PolarHBondContact O-N 3.08Å; T191-L193 VanDerWaalsContact C-N 3.34Å; T191-V194 PolarHBondContact O-N 3.5Å; T191-E195 HydrophobicContact CG2-CG 4.45Å; T191-E195 WeakPolarHBondContact O-CB 3.45Å; T191-E195 WeakPolarHBondContact O-CG 3.37Å; T191-E195 PolarHBondContact O-N 2.8Å |
| 192 | D | 89.9 | Confident | 90.3 | Very high | 52 Ų | 52 | 53.1 Ų | 53.1 | 28% | 0.278 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.4 | -40.2 | 177.5 | -61.6 | -46 | 0 | 0 | 0 | 111.1 | R5 F187 S189 H196 | R5-D192 IonicContact CZ-OD1 3.44Å; R5-D192 IonicContact NH1-OD1 3.51Å; R5-D192 PolarHBondContact NH1-OD1 2.86Å; F187-D192 HydrophobicContact CB-CB 4.3Å; F187-D192 HydrophobicContact CD1-CB 4.29Å; S189-D192 PolarHBondContact O-N 2.94Å; S189-D192 PolarHBondContact OG-N 2.73Å; S189-D192 PolarHBondContact OG-OD2 2.81Å; D192-H196 WeakPolarHBondContact O-CB 2.77Å; D192-H196 PolarHBondContact O-N 2.91Å |
| 193 | L | 94.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59 | -50.5 | 173.6 | -176.1 | 154.5 | 0 | 0 | 0 | 111.4 | I172 V181 F187 S189 L190 T191 H196 Y197 | I172-L193 HydrophobicContact CD1-CD2 4.08Å; I172-L193 HydrophobicContact CG1-CD1 4.4Å; I172-L193 HydrophobicContact CG1-CD2 4.34Å; I172-L193 HydrophobicContact CG2-CD1 3.73Å; V181-L193 HydrophobicContact CG1-CD1 4.19Å; V181-L193 HydrophobicContact CG1-CD2 4.31Å; F187-L193 HydrophobicContact CB-CB 3.98Å; F187-L193 HydrophobicContact CD2-CB 3.65Å; F187-L193 HydrophobicContact CD2-CD1 3.9Å; F187-L193 HydrophobicContact CD2-CG 3.74Å; F187-L193 HydrophobicContact CE2-CB 4.32Å; F187-L193 HydrophobicContact CE2-CD1 4.5Å; F187-L193 HydrophobicContact CE2-CG 4.11Å; F187-L193 HydrophobicContact CG-CB 3.81Å; F187-L193 HydrophobicContact CG-CG 4.42Å; S189-L193 PolarHBondContact O-N 3.38Å; S189-L193 VanDerWaalsContact O-N 3.13Å; L190-L193 PolarHBondContact O-N 2.87Å; T191-L193 VanDerWaalsContact C-N 3.34Å; L193-H196 PolarHBondContact O-N 3.07Å; L193-Y197 HydrophobicContact CD2-CD2 3.76Å; L193-Y197 HydrophobicContact CD2-CE2 4.11Å; L193-Y197 HydrophobicContact CG-CD2 3.96Å; L193-Y197 HydrophobicContact CG-CE2 3.93Å; L193-Y197 WeakPolarHBondContact O-CD2 3.34Å; L193-Y197 PolarHBondContact O-N 3.14Å |
| 194 | V | 91.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.9 | -43.7 | -179 | 168.5 | 0 | 0 | 0 | 0 | 111.4 | W112 F135 V137 L190 T191 H196 Y197 K198 | W112-V194 HydrophobicContact CD2-CG1 4.3Å; W112-V194 HydrophobicContact CD2-CG2 4.26Å; W112-V194 HydrophobicContact CE3-CG2 4.1Å; W112-V194 HydrophobicContact CH2-CB 4.33Å; W112-V194 HydrophobicContact CH2-CG2 3.74Å; W112-V194 HydrophobicContact CZ2-CB 4.01Å; W112-V194 HydrophobicContact CZ2-CG1 4.26Å; W112-V194 HydrophobicContact CZ2-CG2 3.9Å; W112-V194 HydrophobicContact CZ3-CG2 3.85Å; F135-V194 HydrophobicContact CE2-CG1 3.7Å; F135-V194 HydrophobicContact CZ-CG1 3.96Å; V137-V194 HydrophobicContact CG2-CG2 4.06Å; L190-V194 WeakPolarHBondContact O-CB 3.36Å; L190-V194 WeakPolarHBondContact O-CG2 3.47Å; L190-V194 PolarHBondContact O-N 3Å; T191-V194 PolarHBondContact O-N 3.5Å; V194-H196 VanDerWaalsContact C-N 3.33Å; V194-H196 PolarHBondContact O-N 2.83Å; V194-Y197 PolarHBondContact O-N 3.41Å; V194-K198 HydrophobicContact CG1-CD 3.88Å; V194-K198 HydrophobicContact CG1-CG 4.31Å; V194-K198 WeakPolarHBondContact O-CB 3.19Å; V194-K198 VanDerWaalsContact O-CG 3.24Å; V194-K198 WeakPolarHBondContact O-CG 3.49Å; V194-K198 PolarHBondContact O-N 3Å |
| 195 | E | 89.3 | Confident | 90.2 | Very high | 74 Ų | 74 | 59.3 Ų | 59.3 | 35% | 0.346 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.6 | -34.2 | 178 | -73.7 | -62.1 | 133.1 | 0 | 0 | 112.6 | T191 K198 K199 | T191-E195 HydrophobicContact CG2-CG 4.45Å; T191-E195 WeakPolarHBondContact O-CB 3.45Å; T191-E195 WeakPolarHBondContact O-CG 3.37Å; T191-E195 PolarHBondContact O-N 2.8Å; E195-K198 WeakPolarHBondContact OE1-CD 3.33Å; E195-K198 IonicContact OE1-NZ 3.87Å; E195-K198 PolarHBondContact OE1-NZ 3.19Å; E195-K198 IonicContact OE2-NZ 2.95Å; E195-K199 PolarHBondContact O-N 3.14Å |
| 196 | H | 93.8 | Very high | 89.7 | Confident | 49 Ų | 49 | 61.6 Ų | 61.6 | 23% | 0.227 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.5 | -54.5 | 170.4 | 179.5 | 105.3 | 0 | 0 | 0 | 110.5 | E185 F187 D192 L193 V194 K198 K199 N200 | E185-H196 IonicContact OE2-CE1 3.73Å; E185-H196 PolarHBondContact OE2-CE1 2.86Å; E185-H196 IonicContact OE2-ND1 2.68Å; E185-H196 PolarHBondContact OE2-ND1 2.96Å; E185-H196 VanDerWaalsContact OE2-ND1 3.11Å; F187-H196 HydrophobicContact CD1-CB 4.44Å; F187-H196 HydrophobicContact CE1-CB 3.51Å; F187-H196 AromaticContact CE1-CG 3.61Å; F187-H196 AromaticContact CE1-ND1 3.68Å; F187-H196 HydrophobicContact CZ-CB 3.68Å; F187-H196 AromaticContact CZ-CD2 3.83Å; F187-H196 AromaticContact CZ-CG 3.46Å; F187-H196 VanDerWaalsContact CZ-CG 3.46Å; F187-H196 AromaticContact CZ-ND1 3.72Å; D192-H196 WeakPolarHBondContact O-CB 2.77Å; D192-H196 PolarHBondContact O-N 2.91Å; L193-H196 PolarHBondContact O-N 3.07Å; V194-H196 VanDerWaalsContact C-N 3.33Å; V194-H196 PolarHBondContact O-N 2.83Å; H196-K198 VanDerWaalsContact C-N 3.28Å; H196-K198 PolarHBondContact O-N 2.86Å; H196-K199 PolarHBondContact O-N 2.86Å; H196-N200 PolarHBondContact CE1-ND2 2.85Å; H196-N200 PolarHBondContact NE2-ND2 2.84Å; H196-N200 PolarHBondContact O-N 3.16Å; H196-N200 PolarHBondContact O-ND2 2.92Å |
| 197 | Y | 94.4 | Very high | 89 | Confident | 23 Ų | 23 | 59.1 Ų | 59.1 | 9% | 0.09 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -74.2 | -14.5 | -176.5 | -71.1 | -63.1 | 0 | 0 | 0 | 114.5 | V181 F187 L193 V194 N200 P201 M202 | V181-Y197 HydrophobicContact CG1-CE2 3.89Å; V181-Y197 HydrophobicContact CG2-CE2 4Å; V181-Y197 WeakPolarHBondContact CG2-OH 3.47Å; F187-Y197 AromaticContact CE2-CE2 3.92Å; F187-Y197 HydrophobicContact CE2-CE2 3.92Å; F187-Y197 HydrophobicContact CZ-CE2 4.4Å; L193-Y197 HydrophobicContact CD2-CD2 3.76Å; L193-Y197 HydrophobicContact CD2-CE2 4.11Å; L193-Y197 HydrophobicContact CG-CD2 3.96Å; L193-Y197 HydrophobicContact CG-CE2 3.93Å; L193-Y197 WeakPolarHBondContact O-CD2 3.34Å; L193-Y197 PolarHBondContact O-N 3.14Å; V194-Y197 PolarHBondContact O-N 3.41Å; Y197-N200 WeakPolarHBondContact CA-O 3.48Å; Y197-N200 WeakPolarHBondContact CD1-O 3.43Å; Y197-N200 CarbonylContact O-C 3.58Å; Y197-P201 WeakPolarHBondContact O-CA 3.37Å; Y197-M202 HydrophobicContact CD1-CG 3.4Å; Y197-M202 HydrophobicContact CD1-SD 4.12Å; Y197-M202 HydrophobicContact CE1-CG 3.57Å; Y197-M202 HydrophobicContact CE1-SD 4.17Å; Y197-M202 HydrophobicContact CG-CE 4.35Å; Y197-M202 HydrophobicContact CG-CG 4.13Å; Y197-M202 HydrophobicContact CG-SD 4.39Å |
| 198 | K | 91.3 | Very high | 88.7 | Confident | 76 Ų | 76 | 60.3 Ų | 60.3 | 33% | 0.33 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -68 | -36.9 | 165.3 | -80.2 | 171.7 | 69.9 | -169.3 | 0 | 112.3 | F135 V194 E195 H196 L212 | F135-K198 HydrophobicContact CZ-CD 4.21Å; V194-K198 HydrophobicContact CG1-CD 3.88Å; V194-K198 HydrophobicContact CG1-CG 4.31Å; V194-K198 WeakPolarHBondContact O-CB 3.19Å; V194-K198 VanDerWaalsContact O-CG 3.24Å; V194-K198 WeakPolarHBondContact O-CG 3.49Å; V194-K198 PolarHBondContact O-N 3Å; E195-K198 WeakPolarHBondContact OE1-CD 3.33Å; E195-K198 IonicContact OE1-NZ 3.87Å; E195-K198 PolarHBondContact OE1-NZ 3.19Å; E195-K198 IonicContact OE2-NZ 2.95Å; H196-K198 VanDerWaalsContact C-N 3.28Å; H196-K198 PolarHBondContact O-N 2.86Å; K198-L212 HydrophobicContact CB-CB 4.43Å; K198-L212 HydrophobicContact CG-CB 3.51Å; K198-L212 HydrophobicContact CG-CD1 4.09Å; K198-L212 HydrophobicContact CG-CG 4.41Å |
| 199 | K | 92 | Very high | 88.8 | Confident | 161 Ų | 161 | 58.1 Ų | 58.1 | 70% | 0.7 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -85.5 | -34.2 | 178.1 | -67.4 | 177.5 | -177.1 | 175.3 | 0 | 112.3 | E195 H196 P201 | E195-K199 PolarHBondContact O-N 3.14Å; H196-K199 PolarHBondContact O-N 2.86Å; K199-P201 WeakPolarHBondContact O-CD 3.46Å |
| 200 | N | 92.8 | Very high | 88.9 | Confident | 85 Ų | 85 | 58.1 Ų | 58.1 | 46% | 0.455 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -120.8 | 79.9 | -178.1 | -53.5 | -51.1 | 0 | 0 | 0 | 109.5 | H196 Y197 M202 | H196-N200 PolarHBondContact CE1-ND2 2.85Å; H196-N200 PolarHBondContact NE2-ND2 2.84Å; H196-N200 PolarHBondContact O-N 3.16Å; H196-N200 PolarHBondContact O-ND2 2.92Å; Y197-N200 WeakPolarHBondContact CA-O 3.48Å; Y197-N200 WeakPolarHBondContact CD1-O 3.43Å; Y197-N200 CarbonylContact O-C 3.58Å; N200-M202 PolarHBondContact O-N 2.89Å |
| 201 | P | 92.3 | Very high | 89.1 | Confident | 48 Ų | 48 | 61.5 Ų | 61.5 | 31% | 0.312 | 33% | 0.334 | S | S | . | . | trans | -59 | 138.3 | -175.4 | -25.8 | 35.9 | 0 | 0 | 0 | 112.9 | Y197 K199 V209 Q211 | Y197-P201 WeakPolarHBondContact O-CA 3.37Å; K199-P201 WeakPolarHBondContact O-CD 3.46Å; P201-V209 HydrophobicContact CB-CG1 3.55Å; P201-V209 HydrophobicContact CG-CG1 4.37Å; P201-Q211 HydrophobicContact CB-CG 4.39Å; P201-Q211 HydrophobicContact CG-CG 4.39Å | ||
| 202 | M | 92.3 | Very high | 89.4 | Confident | 28 Ų | 28 | 61.3 Ų | 61.3 | 14% | 0.138 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 147.8 | 172.6 | -64.8 | 174.5 | -77.2 | 0 | 0 | 110.5 | L149 V170 V181 Y197 N200 L210 | L149-M202 HydrophobicContact CD2-CE 3.57Å; V170-M202 HydrophobicContact CB-CE 4.44Å; V170-M202 HydrophobicContact CG1-CE 4.22Å; V170-M202 HydrophobicContact CG1-SD 3.95Å; V170-M202 HydrophobicContact CG2-CE 4.06Å; V170-M202 HydrophobicContact CG2-SD 4.43Å; V181-M202 HydrophobicContact CG1-SD 4.45Å; V181-M202 HydrophobicContact CG2-SD 4.22Å; Y197-M202 HydrophobicContact CD1-CG 3.4Å; Y197-M202 HydrophobicContact CD1-SD 4.12Å; Y197-M202 HydrophobicContact CE1-CG 3.57Å; Y197-M202 HydrophobicContact CE1-SD 4.17Å; Y197-M202 HydrophobicContact CG-CE 4.35Å; Y197-M202 HydrophobicContact CG-CG 4.13Å; Y197-M202 HydrophobicContact CG-SD 4.39Å; N200-M202 PolarHBondContact O-N 2.89Å; M202-L210 HydrophobicContact CB-CB 4.29Å; M202-L210 HydrophobicContact CB-CD1 4.19Å; M202-L210 HydrophobicContact CE-CD1 4.29Å; M202-L210 PolarHBondContact O-N 3.45Å |
| 203 | V | 88.5 | Confident | 89.3 | Confident | 96 Ų | 96 | 64.2 Ų | 64.2 | 58% | 0.582 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 121.9 | 177.9 | -173 | 0 | 0 | 0 | 0 | 108.6 | T208 V209 | V203-T208 WeakPolarHBondContact CA-O 3.14Å; V203-V209 HydrophobicContact CG2-CG2 4.32Å |
| 204 | E | 83.9 | Confident | 88.8 | Confident | 46 Ų | 46 | 66.1 Ų | 66.1 | 22% | 0.215 | 35% | 0.352 | C | S | . | . | trans | -67.7 | 157.1 | 173.4 | -69.9 | -177.6 | 177.6 | 0 | 0 | 110.8 | K166 T168 L206 G207 T208 L210 | K166-E204 IonicContact NZ-OE1 3.88Å; K166-E204 IonicContact NZ-OE2 3.65Å; K166-E204 PolarHBondContact NZ-OE2 2.91Å; T168-E204 WeakPolarHBondContact CB-OE1 3.29Å; T168-E204 WeakPolarHBondContact CG2-OE1 3.32Å; T168-E204 PolarHBondContact OG1-OE1 3.38Å; E204-L206 PolarHBondContact O-N 3.26Å; E204-L206 VanDerWaalsContact O-N 3.07Å; E204-G207 WeakPolarHBondContact O-CA 3.47Å; E204-G207 PolarHBondContact O-N 3.37Å; E204-T208 PolarHBondContact N-O 2.7Å; E204-L210 HydrophobicContact CG-CD1 4.45Å; E204-L210 HydrophobicContact CG-CD2 4.39Å; E204-L210 HydrophobicContact CG-CG 4.41Å | ||
| 205 | T | 81 | Confident | 88.6 | Confident | 156 Ų | 156 | 67.8 Ų | 67.8 | 96% | 0.957 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -30.4 | 178.4 | -42 | 0 | 0 | 0 | 0 | 113.3 | G207 | T205-G207 PolarHBondContact O-N 2.95Š|
| 206 | L | 79.3 | Confident | 88.2 | Confident | 160 Ų | 160 | 64.3 Ų | 64.3 | 84% | 0.838 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | 7.3 | 176.6 | -63.3 | 172.6 | 0 | 0 | 0 | 113.3 | E204 | E204-L206 PolarHBondContact O-N 3.26Å; E204-L206 VanDerWaalsContact O-N 3.07Å |
| 207 | G | 80.8 | Confident | 87 | Confident | 49 Ų | 49 | 63.4 Ų | 63.4 | 51% | 0.505 | 34% | 0.343 | S | S | . | . | S | Bend | trans | 85.7 | 1.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | E204 T205 V209 | E204-G207 WeakPolarHBondContact O-CA 3.47Å; E204-G207 PolarHBondContact O-N 3.37Å; T205-G207 PolarHBondContact O-N 2.95Å; G207-V209 PolarHBondContact O-N 3.15Å |
| 208 | T | 85.7 | Confident | 86 | Confident | 43 Ų | 43 | 64.6 Ų | 64.6 | 26% | 0.264 | 35% | 0.353 | S | S | . | . | trans | -69 | 124.5 | 176.3 | -56.2 | 0 | 0 | 0 | 0 | 110.3 | T153 K166 V203 E204 | T153-T208 HydrophobicContact CG2-CG2 4.32Å; K166-T208 PolarHBondContact NZ-OG1 3.49Å; V203-T208 WeakPolarHBondContact CA-O 3.14Å; E204-T208 PolarHBondContact N-O 2.7Å | ||
| 209 | V | 89.1 | Confident | 85.6 | Confident | 58 Ų | 58 | 61.7 Ų | 61.7 | 35% | 0.352 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 120 | 176.8 | -171.9 | 0 | 0 | 0 | 0 | 110.4 | P201 V203 G207 Q211 | P201-V209 HydrophobicContact CB-CG1 3.55Å; P201-V209 HydrophobicContact CG-CG1 4.37Å; V203-V209 HydrophobicContact CG2-CG2 4.32Å; G207-V209 PolarHBondContact O-N 3.15Å; V209-Q211 HydrophobicContact CB-CG 4.37Å; V209-Q211 HydrophobicContact CG1-CG 3.73Å; V209-Q211 PolarHBondContact O-N 2.79Å; V209-Q211 VanDerWaalsContact O-N 3.1Å |
| 210 | L | 91 | Very high | 85.1 | Confident | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 78.6 | 177.4 | -57.5 | -176.8 | 0 | 0 | 0 | 110.3 | T153 T168 V170 M202 E204 L212 | T153-L210 HydrophobicContact CG2-CD2 3.74Å; T168-L210 HydrophobicContact CG2-CD1 4.01Å; T168-L210 HydrophobicContact CG2-CD2 4.1Å; V170-L210 HydrophobicContact CG2-CD1 3.66Å; M202-L210 HydrophobicContact CB-CB 4.29Å; M202-L210 HydrophobicContact CB-CD1 4.19Å; M202-L210 HydrophobicContact CE-CD1 4.29Å; M202-L210 PolarHBondContact O-N 3.45Å; E204-L210 HydrophobicContact CG-CD1 4.45Å; E204-L210 HydrophobicContact CG-CD2 4.39Å; E204-L210 HydrophobicContact CG-CG 4.41Å; L210-L212 PolarHBondContact O-N 3.45Å |
| 211 | Q | 91.1 | Very high | 84.6 | Confident | 71 Ų | 71 | 55.3 Ų | 55.3 | 33% | 0.332 | 31% | 0.307 | S | S | . | . | trans | -78.1 | 118.2 | 179.8 | -62.8 | -173.9 | -4.2 | 0 | 0 | 111.7 | G133 P201 V209 K213 | G133-Q211 WeakPolarHBondContact CA-O 3.25Å; P201-Q211 HydrophobicContact CB-CG 4.39Å; P201-Q211 HydrophobicContact CG-CG 4.39Å; V209-Q211 HydrophobicContact CB-CG 4.37Å; V209-Q211 HydrophobicContact CG1-CG 3.73Å; V209-Q211 PolarHBondContact O-N 2.79Å; V209-Q211 VanDerWaalsContact O-N 3.1Å; Q211-K213 VanDerWaalsContact C-N 3.33Å; Q211-K213 HydrophobicContact CB-CG 4.13Å; Q211-K213 PolarHBondContact O-N 3.35Å; Q211-K213 VanDerWaalsContact O-N 3.07Å | ||
| 212 | L | 92.4 | Very high | 84.1 | Confident | 8 Ų | 8 | 54.9 Ų | 54.9 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | trans | -84.5 | 72.3 | 175.7 | -54.3 | -173.1 | 0 | 0 | 0 | 110.7 | F135 L149 V151 K198 L210 | F135-L212 HydrophobicContact CB-CD2 3.82Å; F135-L212 HydrophobicContact CD1-CB 3.76Å; F135-L212 HydrophobicContact CD1-CD2 4.15Å; F135-L212 HydrophobicContact CD1-CG 4.49Å; F135-L212 HydrophobicContact CD2-CD2 4.32Å; F135-L212 HydrophobicContact CE1-CB 3.81Å; F135-L212 HydrophobicContact CG-CB 4.26Å; F135-L212 HydrophobicContact CG-CD2 3.85Å; F135-L212 HydrophobicContact CZ-CB 4.34Å; L149-L212 HydrophobicContact CD1-CD2 4.14Å; L149-L212 HydrophobicContact CD2-CD1 4.1Å; L149-L212 HydrophobicContact CD2-CD2 4.15Å; V151-L212 HydrophobicContact CB-CD2 4.47Å; V151-L212 HydrophobicContact CG1-CD2 4.04Å; V151-L212 HydrophobicContact CG2-CD2 3.53Å; K198-L212 HydrophobicContact CB-CB 4.43Å; K198-L212 HydrophobicContact CG-CB 3.51Å; K198-L212 HydrophobicContact CG-CD1 4.09Å; K198-L212 HydrophobicContact CG-CG 4.41Å; L210-L212 PolarHBondContact O-N 3.45Å | ||
| 213 | K | 88.5 | Confident | 83.5 | Confident | 113 Ų | 113 | 53.6 Ų | 53.6 | 49% | 0.491 | 30% | 0.296 | S | S | . | . | trans | -73.8 | -48.2 | -174.3 | -66.7 | -170.2 | -178.4 | -178.1 | 0 | 112.9 | H132 G133 Q211 | H132-K213 PolarHBondContact CD2-NZ 3.45Å; H132-K213 VanDerWaalsContact CD2-NZ 3.26Å; H132-K213 PolarHBondContact NE2-NZ 3.48Å; G133-K213 PolarHBondContact O-N 3.38Å; Q211-K213 VanDerWaalsContact C-N 3.33Å; Q211-K213 HydrophobicContact CB-CG 4.13Å; Q211-K213 PolarHBondContact O-N 3.35Å; Q211-K213 VanDerWaalsContact O-N 3.07Å | ||
| 214 | Q | 84.3 | Confident | 83.2 | Confident | 41 Ų | 41 | 50.9 Ų | 50.9 | 19% | 0.192 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 142.9 | -179.1 | 62.2 | -79.2 | -34.8 | 0 | 0 | 112.6 | H132 G133 S134 F135 | H132-Q214 PolarHBondContact O-NE2 2.66Å; G133-Q214 VanDerWaalsContact C-NE2 3.31Å; G133-Q214 PolarHBondContact O-N 2.91Å; G133-Q214 VanDerWaalsContact O-N 3.14Å; S134-Q214 CarbonylContact C-O 3.59Å; S134-Q214 VanDerWaalsContact CA-O 3.26Å; S134-Q214 WeakPolarHBondContact CA-O 3.39Å; S134-Q214 PolarHBondContact OG-NE2 2.89Å; F135-Q214 VanDerWaalsContact CD1-C 3.48Å; F135-Q214 WeakPolarHBondContact CD1-O 3.49Å; F135-Q214 PolarHBondContact N-O 2.89Å |
| 215 | P | 86.2 | Confident | 83.2 | Confident | 35 Ų | 35 | 54 Ų | 54 | 23% | 0.227 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.4 | 145.9 | 162.4 | -26.5 | 36.9 | 0 | 0 | 0 | 111 | R111 W112 F135 N217 | R111-P215 HydrophobicContact CB-CB 4.03Å; R111-P215 HydrophobicContact CB-CG 4.25Å; W112-P215 HydrophobicContact CB-CB 3.85Å; W112-P215 HydrophobicContact CB-CG 4.12Å; F135-P215 HydrophobicContact CE1-CG 4.35Å; F135-P215 HydrophobicContact CZ-CG 4.17Å; F135-P215 CarbonylContact O-C 3.57Å; F135-P215 WeakPolarHBondContact O-CA 3.33Å; P215-N217 PolarHBondContact O-N 3.1Å |
| 216 | L | 82 | Confident | 83.6 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | trans | -58.8 | 131.9 | 170.6 | -178.2 | 63.9 | 0 | 0 | 0 | 109.9 | L125 L126 K129 F135 L136 T218 | L125-L216 HydrophobicContact CB-CD2 3.72Å; L126-L216 HydrophobicContact CD2-CB 4.4Å; L126-L216 HydrophobicContact CD2-CD1 4.2Å; L126-L216 HydrophobicContact CD2-CD2 4.41Å; L126-L216 HydrophobicContact CG-CD2 4.43Å; K129-L216 HydrophobicContact CB-CD1 4Å; F135-L216 PolarHBondContact O-N 2.78Å; L136-L216 HydrophobicContact CB-CB 4.46Å; L136-L216 HydrophobicContact CD2-CB 4.44Å; L136-L216 HydrophobicContact CD2-CD2 3.64Å; L216-T218 PolarHBondContact O-N 3.2Å | ||
| 217 | N | 68.8 | Low | 84 | Confident | 29 Ų | 29 | 43.3 Ų | 43.3 | 16% | 0.155 | 23% | 0.233 | C | C | . | . | trans | -82.2 | 110.8 | 174.9 | -170 | -10 | 0 | 0 | 0 | 109.8 | P215 T219 R220 D493 | P215-N217 PolarHBondContact O-N 3.1Å; N217-T219 PolarHBondContact OD1-N 3.31Å; N217-T219 PolarHBondContact OD1-OG1 3.41Å; N217-T219 VanDerWaalsContact OD1-OG1 3.06Å; N217-R220 PolarHBondContact OD1-N 2.89Å; N217-D493 PolarHBondContact ND2-OD2 2.98Å | ||
| 218 | T | 72.4 | Confident | 84.1 | Confident | 48 Ų | 48 | 44.9 Ų | 44.9 | 29% | 0.294 | 24% | 0.236 | S | C | . | . | trans | -99.8 | -11.7 | 175.3 | 47.5 | 0 | 0 | 0 | 0 | 114.3 | H114 L216 | H114-T218 WeakPolarHBondContact CE1-CG2 3.35Å; L216-T218 PolarHBondContact O-N 3.2Å | ||
| 219 | T | 82.8 | Confident | 84.1 | Confident | 15 Ų | 15 | 44 Ų | 44 | 9% | 0.092 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -93.1 | -18.9 | -171.7 | 61.9 | 0 | 0 | 0 | 0 | 113 | N217 E250 D493 P495 | N217-T219 PolarHBondContact OD1-N 3.31Å; N217-T219 PolarHBondContact OD1-OG1 3.41Å; N217-T219 VanDerWaalsContact OD1-OG1 3.06Å; T219-E250 HydrophobicContact CG2-CG 4.05Å; T219-E250 VanDerWaalsContact CG2-OE2 3.31Å; T219-E250 WeakPolarHBondContact CG2-OE2 3.25Å; T219-D493 PolarHBondContact OG1-OD1 2.99Å; T219-P495 HydrophobicContact CG2-CG 3.72Å |
| 220 | R | 81.5 | Confident | 84.1 | Confident | 100 Ų | 100 | 41.7 Ų | 41.7 | 38% | 0.377 | 21% | 0.214 | S | C | . | . | trans | -73.3 | 126.1 | 171.5 | -173 | 178.1 | 66.6 | -147.3 | -3.3 | 110.5 | N217 D491 I492 D493 | N217-R220 PolarHBondContact OD1-N 2.89Å; R220-D491 HydrophobicContact CG-CB 4.22Å; R220-D491 IonicContact NE-OD2 2.82Å; R220-I492 WeakPolarHBondContact CA-O 3.34Å; R220-D493 HydrophobicContact CB-CB 4.19Å; R220-D493 HydrophobicContact CG-CB 4.42Å | ||
| 221 | I | 82.1 | Confident | 83.9 | Confident | 13 Ų | 13 | 48.7 Ų | 48.7 | 7% | 0.067 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 159.3 | 178.5 | 56.7 | 163.1 | 0 | 0 | 0 | 110 | I226 R229 D491 I492 | I221-I226 HydrophobicContact CD1-CB 4.33Å; I221-I226 HydrophobicContact CD1-CD1 3.56Å; I221-R229 HydrophobicContact CD1-CB 3.79Å; I221-R229 HydrophobicContact CD1-CG 3.97Å; I221-R229 HydrophobicContact CG2-CB 4.4Å; I221-R229 HydrophobicContact CG2-CG 4.25Å; I221-D491 WeakPolarHBondContact O-CA 3.42Å; I221-I492 HydrophobicContact CD1-CD1 4.2Å; I221-I492 HydrophobicContact CD1-CG1 4.19Å; I221-I492 HydrophobicContact CG1-CD1 4.38Å; I221-I492 HydrophobicContact CG1-CG1 3.81Å; I221-I492 PolarHBondContact N-O 2.96Å; I221-I492 PolarHBondContact O-N 2.83Å |
| 222 | N | 81.4 | Confident | 83.4 | Confident | 39 Ų | 39 | 50.5 Ų | 50.5 | 21% | 0.209 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 141.3 | 163.7 | -172.5 | -81.9 | 0 | 0 | 0 | 109.2 | A224 E225 V488 D489 | N222-A224 VanDerWaalsContact C-N 3.28Å; N222-A224 PolarHBondContact O-N 3.44Å; N222-A224 VanDerWaalsContact OD1-CB 3.29Å; N222-A224 WeakPolarHBondContact OD1-CB 3.34Å; N222-A224 PolarHBondContact OD1-N 3.22Å; N222-E225 HydrophobicContact CB-CB 4.5Å; N222-E225 HydrophobicContact CB-CG 4.11Å; N222-E225 WeakPolarHBondContact O-CB 3.45Å; N222-E225 PolarHBondContact O-N 2.88Å; N222-V488 PolarHBondContact OD1-O 3.13Å; N222-D489 VanDerWaalsContact ND2-C 3.29Å; N222-D489 PolarHBondContact ND2-O 2.93Å |
| 223 | A | 81.7 | Confident | 83 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -63.2 | -34.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112 | E225 I226 I483 V488 C490 I492 I526 | A223-E225 PolarHBondContact O-N 2.71Å; A223-I226 VanDerWaalsContact O-CB 3.32Å; A223-I226 WeakPolarHBondContact O-CB 3.49Å; A223-I226 VanDerWaalsContact O-CG2 3.28Å; A223-I226 WeakPolarHBondContact O-CG2 3.26Å; A223-I226 PolarHBondContact O-N 3.12Å; A223-I226 VanDerWaalsContact O-N 3.13Å; A223-I483 HydrophobicContact CB-CD1 4.48Å; A223-I483 HydrophobicContact CB-CG1 4.14Å; A223-V488 WeakPolarHBondContact CB-O 3.38Å; A223-C490 WeakPolarHBondContact CB-O 3.35Å; A223-C490 PolarHBondContact N-O 3.36Å; A223-I492 HydrophobicContact CB-CD1 3.93Å; A223-I492 HydrophobicContact CB-CG1 4.14Å; A223-I492 HydrophobicContact CB-CG2 4.1Å; A223-I526 HydrophobicContact CB-CD1 3.64Å; A223-I526 WeakPolarHBondContact O-CD1 3.32Å |
| 224 | A | 82.1 | Confident | 82.8 | Confident | 39 Ų | 39 | 47.1 Ų | 47.1 | 32% | 0.322 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -62.8 | -21.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | N222 V488 | N222-A224 VanDerWaalsContact C-N 3.28Å; N222-A224 PolarHBondContact O-N 3.44Å; N222-A224 VanDerWaalsContact OD1-CB 3.29Å; N222-A224 WeakPolarHBondContact OD1-CB 3.34Å; N222-A224 PolarHBondContact OD1-N 3.22Å; A224-V488 PolarHBondContact N-O 2.91Å |
| 225 | E | 83.1 | Confident | 82.4 | Confident | 112 Ų | 112 | 52 Ų | 52 | 52% | 0.523 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -90.5 | 4.2 | 178.7 | -62.7 | 179.6 | 174.9 | 0 | 0 | 113.4 | N222 A223 E227 S228 R229 | N222-E225 HydrophobicContact CB-CB 4.5Å; N222-E225 HydrophobicContact CB-CG 4.11Å; N222-E225 WeakPolarHBondContact O-CB 3.45Å; N222-E225 PolarHBondContact O-N 2.88Å; A223-E225 PolarHBondContact O-N 2.71Å; E225-E227 VanDerWaalsContact C-N 3.25Å; E225-E227 PolarHBondContact O-N 2.61Å; E225-S228 WeakPolarHBondContact O-CB 3.31Å; E225-S228 PolarHBondContact O-N 2.7Å; E225-S228 VanDerWaalsContact O-N 3.1Å; E225-R229 PolarHBondContact O-N 2.97Å |
| 226 | I | 88.9 | Confident | 81 | Confident | 3 Ų | 3 | 57.5 Ų | 57.5 | 2% | 0.015 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.1 | -38.3 | -176.3 | -169.2 | 65.3 | 0 | 0 | 0 | 112.6 | I221 A223 S228 R229 V230 I492 Y519 V522 Q523 I526 | I221-I226 HydrophobicContact CD1-CB 4.33Å; I221-I226 HydrophobicContact CD1-CD1 3.56Å; A223-I226 VanDerWaalsContact O-CB 3.32Å; A223-I226 WeakPolarHBondContact O-CB 3.49Å; A223-I226 VanDerWaalsContact O-CG2 3.28Å; A223-I226 WeakPolarHBondContact O-CG2 3.26Å; A223-I226 PolarHBondContact O-N 3.12Å; A223-I226 VanDerWaalsContact O-N 3.13Å; I226-S228 VanDerWaalsContact C-N 3.35Å; I226-S228 PolarHBondContact O-N 2.87Å; I226-R229 PolarHBondContact O-N 3.37Å; I226-V230 HydrophobicContact CG1-CG2 4.31Å; I226-V230 WeakPolarHBondContact O-CG2 3.18Å; I226-V230 PolarHBondContact O-N 3.25Å; I226-I492 HydrophobicContact CD1-CD1 4Å; I226-Y519 HydrophobicContact CD1-CD1 3.59Å; I226-Y519 HydrophobicContact CD1-CE1 4.01Å; I226-V522 HydrophobicContact CD1-CG1 4.44Å; I226-V522 HydrophobicContact CG1-CG1 4.23Å; I226-Q523 HydrophobicContact CG1-CB 4.15Å; I226-Q523 HydrophobicContact CG2-CB 4.12Å; I226-Q523 HydrophobicContact CG2-CG 4.29Å; I226-I526 HydrophobicContact CB-CD1 4.41Å; I226-I526 HydrophobicContact CG2-CB 4.36Å; I226-I526 HydrophobicContact CG2-CD1 3.87Å; I226-I526 HydrophobicContact CG2-CG2 4.48Å |
| 227 | E | 88.8 | Confident | 79.5 | Confident | 89 Ų | 89 | 59.5 Ų | 59.5 | 42% | 0.416 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63 | -44 | -180 | -166.5 | -154.3 | 147.8 | 0 | 0 | 110.9 | E225 R229 V230 R231 | E225-E227 VanDerWaalsContact C-N 3.25Å; E225-E227 PolarHBondContact O-N 2.61Å; E227-R229 VanDerWaalsContact C-N 3.34Å; E227-R229 PolarHBondContact O-N 2.77Å; E227-V230 PolarHBondContact O-N 2.79Å; E227-R231 WeakPolarHBondContact O-CB 3.37Å; E227-R231 PolarHBondContact O-N 2.95Å; E227-R231 IonicContact OE1-CZ 2.67Å; E227-R231 IonicContact OE1-NH2 3.17Å; E227-R231 PolarHBondContact OE1-NH2 3.05Å |
| 228 | S | 82.3 | Confident | 78.1 | Confident | 81 Ų | 81 | 67.2 Ų | 67.2 | 57% | 0.566 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -61.8 | -43.9 | 175.8 | -173.5 | 0 | 0 | 0 | 0 | 110.8 | E225 I226 R231 E232 | E225-S228 WeakPolarHBondContact O-CB 3.31Å; E225-S228 PolarHBondContact O-N 2.7Å; E225-S228 VanDerWaalsContact O-N 3.1Å; I226-S228 VanDerWaalsContact C-N 3.35Å; I226-S228 PolarHBondContact O-N 2.87Å; S228-R231 WeakPolarHBondContact O-CB 3.45Å; S228-R231 PolarHBondContact O-N 2.88Å; S228-E232 WeakPolarHBondContact O-CB 3.31Å; S228-E232 PolarHBondContact O-N 3.27Å |
| 229 | R | 85.9 | Confident | 76.5 | Confident | 26 Ų | 26 | 70.9 Ų | 70.9 | 10% | 0.098 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.5 | -42.9 | 177.1 | -178.8 | 58.5 | 177.5 | 156.9 | -1.8 | 112.4 | I221 E225 I226 E227 R231 E232 L233 E250 Y519 | I221-R229 HydrophobicContact CD1-CB 3.79Å; I221-R229 HydrophobicContact CD1-CG 3.97Å; I221-R229 HydrophobicContact CG2-CB 4.4Å; I221-R229 HydrophobicContact CG2-CG 4.25Å; E225-R229 PolarHBondContact O-N 2.97Å; I226-R229 PolarHBondContact O-N 3.37Å; E227-R229 VanDerWaalsContact C-N 3.34Å; E227-R229 PolarHBondContact O-N 2.77Å; R229-R231 VanDerWaalsContact C-N 3.3Å; R229-R231 PolarHBondContact O-N 3.26Å; R229-E232 WeakPolarHBondContact CD-OE2 3.49Å; R229-E232 IonicContact CZ-OE2 3.89Å; R229-E232 IonicContact NH1-OE1 3.44Å; R229-E232 PolarHBondContact NH1-OE1 3.43Å; R229-E232 IonicContact NH1-OE2 2.76Å; R229-E232 PolarHBondContact NH1-OE2 3.39Å; R229-E232 WeakPolarHBondContact O-CB 3.39Å; R229-E232 PolarHBondContact O-N 3.07Å; R229-L233 HydrophobicContact CG-CD1 3.96Å; R229-L233 HydrophobicContact CG-CG 4.39Å; R229-L233 VanDerWaalsContact CZ-CD2 3.47Å; R229-L233 WeakPolarHBondContact O-CB 3.46Å; R229-L233 WeakPolarHBondContact O-CG 3.47Å; R229-L233 PolarHBondContact O-N 2.87Å; R229-E250 IonicContact CZ-OE2 3.23Å; R229-E250 IonicContact NE-OE2 3.09Å; R229-E250 IonicContact NH2-OE2 2.81Å; R229-E250 PolarHBondContact NH2-OE2 2.65Å; R229-Y519 HydrophobicContact CG-CE1 4.09Å |
| 230 | V | 88.4 | Confident | 74.4 | Confident | 8 Ų | 8 | 74.6 Ų | 74.6 | 5% | 0.048 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.9 | -40.9 | 176.2 | 170.1 | 0 | 0 | 0 | 0 | 110.7 | I226 E227 L233 S234 F247 Y519 M520 Q523 | I226-V230 HydrophobicContact CG1-CG2 4.31Å; I226-V230 WeakPolarHBondContact O-CG2 3.18Å; I226-V230 PolarHBondContact O-N 3.25Å; E227-V230 PolarHBondContact O-N 2.79Å; V230-L233 PolarHBondContact O-N 3.15Å; V230-S234 VanDerWaalsContact O-CB 3.23Å; V230-S234 WeakPolarHBondContact O-CB 3.13Å; V230-S234 PolarHBondContact O-N 3.29Å; V230-S234 PolarHBondContact O-OG 3.09Å; V230-F247 HydrophobicContact CG1-CE2 4.5Å; V230-F247 HydrophobicContact CG1-CZ 4.19Å; V230-F247 HydrophobicContact CG2-CZ 4.36Å; V230-Y519 HydrophobicContact CG2-CD1 4.13Å; V230-M520 HydrophobicContact CG1-SD 3.8Å; V230-Q523 VanDerWaalsContact CG1-OE1 3.31Å; V230-Q523 HydrophobicContact CG2-CB 4.45Å |
| 231 | R | 86.3 | Confident | 72.5 | Confident | 151 Ų | 151 | 78 Ų | 78 | 57% | 0.57 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -62.3 | -45.1 | 175.3 | -166.5 | -176.6 | -58.8 | 175.6 | 2.5 | 111.2 | E227 S228 R229 S234 K235 | E227-R231 WeakPolarHBondContact O-CB 3.37Å; E227-R231 PolarHBondContact O-N 2.95Å; E227-R231 IonicContact OE1-CZ 2.67Å; E227-R231 IonicContact OE1-NH2 3.17Å; E227-R231 PolarHBondContact OE1-NH2 3.05Å; S228-R231 WeakPolarHBondContact O-CB 3.45Å; S228-R231 PolarHBondContact O-N 2.88Å; R229-R231 VanDerWaalsContact C-N 3.3Å; R229-R231 PolarHBondContact O-N 3.26Å; R231-S234 PolarHBondContact O-N 3.12Å; R231-K235 WeakPolarHBondContact O-CG 3.32Å; R231-K235 PolarHBondContact O-N 3.09Å |
| 232 | E | 81.9 | Confident | 70.7 | Confident | 109 Ų | 109 | 83.7 Ų | 83.7 | 51% | 0.509 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -58.9 | -51.5 | 175.2 | -172.2 | -163.8 | 165.7 | 0 | 0 | 111.7 | S228 R229 S234 K235 | S228-E232 WeakPolarHBondContact O-CB 3.31Å; S228-E232 PolarHBondContact O-N 3.27Å; R229-E232 WeakPolarHBondContact CD-OE2 3.49Å; R229-E232 IonicContact CZ-OE2 3.89Å; R229-E232 IonicContact NH1-OE1 3.44Å; R229-E232 PolarHBondContact NH1-OE1 3.43Å; R229-E232 IonicContact NH1-OE2 2.76Å; R229-E232 PolarHBondContact NH1-OE2 3.39Å; R229-E232 WeakPolarHBondContact O-CB 3.39Å; R229-E232 PolarHBondContact O-N 3.07Å; E232-S234 PolarHBondContact O-N 2.86Å; E232-K235 PolarHBondContact O-N 3.39Å |
| 233 | L | 84.4 | Confident | 69 | Low | 5 Ų | 5 | 88.3 Ų | 88.3 | 3% | 0.026 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -67.1 | -14.4 | 178.4 | -71.5 | 175.1 | 0 | 0 | 0 | 113.7 | R229 V230 G246 F247 E250 Y519 | R229-L233 HydrophobicContact CG-CD1 3.96Å; R229-L233 HydrophobicContact CG-CG 4.39Å; R229-L233 VanDerWaalsContact CZ-CD2 3.47Å; R229-L233 WeakPolarHBondContact O-CB 3.46Å; R229-L233 WeakPolarHBondContact O-CG 3.47Å; R229-L233 PolarHBondContact O-N 2.87Å; V230-L233 PolarHBondContact O-N 3.15Å; L233-G246 VanDerWaalsContact CD2-C 3.47Å; L233-G246 WeakPolarHBondContact O-CA 3.43Å; L233-F247 HydrophobicContact CB-CD1 4.08Å; L233-F247 HydrophobicContact CB-CD2 3.7Å; L233-F247 HydrophobicContact CB-CE1 3.94Å; L233-F247 HydrophobicContact CB-CE2 3.56Å; L233-F247 HydrophobicContact CB-CG 3.96Å; L233-F247 HydrophobicContact CB-CZ 3.69Å; L233-F247 HydrophobicContact CD1-CD1 3.85Å; L233-F247 HydrophobicContact CD1-CE1 3.54Å; L233-F247 HydrophobicContact CD1-CZ 4Å; L233-F247 HydrophobicContact CG-CE1 4.38Å; L233-F247 VanDerWaalsContact O-CD2 3.23Å; L233-F247 WeakPolarHBondContact O-CD2 3.4Å; L233-F247 PolarHBondContact O-N 3Å; L233-E250 HydrophobicContact CD2-CB 4.44Å; L233-Y519 HydrophobicContact CD1-CD1 4.28Å; L233-Y519 HydrophobicContact CD1-CE1 3.88Å; L233-Y519 HydrophobicContact CD1-CE2 4.34Å |
| 234 | S | 83.3 | Confident | 67.7 | Low | 46 Ų | 46 | 91.3 Ų | 91.3 | 32% | 0.322 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -94.3 | -13.3 | 176.5 | -63 | 0 | 0 | 0 | 0 | 113.7 | V230 R231 E232 L236 R516 | V230-S234 VanDerWaalsContact O-CB 3.23Å; V230-S234 WeakPolarHBondContact O-CB 3.13Å; V230-S234 PolarHBondContact O-N 3.29Å; V230-S234 PolarHBondContact O-OG 3.09Å; R231-S234 PolarHBondContact O-N 3.12Å; E232-S234 PolarHBondContact O-N 2.86Å; S234-L236 PolarHBondContact O-N 3.41Å; S234-R516 PolarHBondContact OG-NH2 2.9Å |
| 235 | K | 75.8 | Confident | 67.2 | Low | 142 Ų | 142 | 92.9 Ų | 92.9 | 62% | 0.617 | 48% | 0.477 | S | S | * | . | trans | -65.4 | 132.7 | -178.7 | -75.5 | 176.4 | -174.8 | -179.4 | 0 | 110.5 | R231 E232 | R231-K235 WeakPolarHBondContact O-CG 3.32Å; R231-K235 PolarHBondContact O-N 3.09Å; E232-K235 PolarHBondContact O-N 3.39Å | ||
| 236 | L | 56.4 | Low | 67.1 | Low | 151 Ų | 151 | 88.2 Ų | 88.2 | 79% | 0.791 | 46% | 0.459 | S | S | * | . | trans | -75.9 | 132.5 | 163.8 | -70.2 | 156.8 | 0 | 0 | 0 | 107.5 | S234 E238 | S234-L236 PolarHBondContact O-N 3.41Å; L236-E238 PolarHBondContact O-N 2.9Å; L236-E238 VanDerWaalsContact O-N 3.15Å | ||
| 237 | A | 50.5 | Low | 67 | Low | 44 Ų | 44 | 88.1 Ų | 88.1 | 36% | 0.364 | 46% | 0.459 | S | S | . | . | trans | -65.8 | 115.5 | 168 | 0 | 0 | 0 | 0 | 0 | 108.9 | T239 | A237-T239 PolarHBondContact O-N 3.4Š| ||
| 238 | E | 40.4 | Very low | 66.9 | Low | 190 Ų | 190 | 85.5 Ų | 85.5 | 89% | 0.888 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | 4.9 | -174 | -69.9 | 180 | 158.1 | 0 | 0 | 114 | L236 | L236-E238 PolarHBondContact O-N 2.9Å; L236-E238 VanDerWaalsContact O-N 3.15Å |
| 239 | T | 39.2 | Very low | 66.9 | Low | 125 Ų | 125 | 84.6 Ų | 84.6 | 77% | 0.767 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.3 | 5.4 | -163.4 | 49.9 | 0 | 0 | 0 | 0 | 118.9 | A237 | A237-T239 PolarHBondContact O-N 3.4Š|
| 240 | T | 38.2 | Very low | 67 | Low | 94 Ų | 94 | 84.1 Ų | 84.1 | 58% | 0.577 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -150 | 150.3 | 168.6 | 36.3 | 0 | 0 | 0 | 0 | 113.1 | K242 | T240-K242 PolarHBondContact O-N 2.75Š|
| 241 | D | 41.3 | Very low | 67.1 | Low | 172 Ų | 172 | 83.9 Ų | 83.9 | 92% | 0.92 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -56.7 | 21.5 | 175.2 | -88.5 | -37.1 | 0 | 0 | 0 | 115.8 | ||
| 242 | K | 44.7 | Very low | 67.1 | Low | 132 Ų | 132 | 77 Ų | 77 | 57% | 0.574 | 40% | 0.403 | S | S | * | . | trans | -98.3 | 93.9 | 179.3 | -67 | -173.3 | 179.8 | -178.9 | 0 | 110.3 | T240 K244 | T240-K242 PolarHBondContact O-N 2.75Å; K242-K244 PolarHBondContact O-N 3.24Å | ||
| 243 | V | 44.9 | Very low | 67.2 | Low | 136 Ų | 136 | 73 Ų | 73 | 82% | 0.824 | 39% | 0.387 | S | S | * | . | trans | -65.5 | 21.1 | -169.7 | -179.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 244 | K | 54.2 | Low | 67.3 | Low | 62 Ų | 62 | 73.2 Ų | 73.2 | 27% | 0.27 | 39% | 0.388 | S | S | . | . | trans | -152.6 | 98.7 | -173.3 | -60.9 | -176.1 | -176.5 | -179.2 | 0 | 115.1 | K242 W248 | K242-K244 PolarHBondContact O-N 3.24Å; K244-W248 HydrophobicContact CB-CB 4.48Å; K244-W248 HydrophobicContact CB-CD2 3.92Å; K244-W248 HydrophobicContact CB-CE3 3.85Å; K244-W248 HydrophobicContact CB-CG 4.18Å; K244-W248 HydrophobicContact CB-CZ3 4.43Å; K244-W248 HydrophobicContact CD-CD2 3.77Å; K244-W248 HydrophobicContact CD-CE3 4.16Å; K244-W248 HydrophobicContact CD-CG 4.23Å; K244-W248 HydrophobicContact CD-CH2 4.19Å; K244-W248 HydrophobicContact CD-CZ2 3.86Å; K244-W248 HydrophobicContact CD-CZ3 4.36Å; K244-W248 HydrophobicContact CG-CD2 4.48Å | ||
| 245 | Q | 72.1 | Confident | 67.4 | Low | 72 Ų | 72 | 71.1 Ų | 71.1 | 34% | 0.336 | 37% | 0.373 | S | S | . | . | trans | -146 | 159 | 178.2 | -67.6 | -163 | -30.8 | 0 | 0 | 117.5 | E249 | Q245-E249 HydrophobicContact CG-CG 4.43Å; Q245-E249 WeakPolarHBondContact CG-OE1 3.38Å; Q245-E249 PolarHBondContact NE2-OE1 3.39Å | ||
| 246 | G | 81.4 | Confident | 67.6 | Low | 14 Ų | 14 | 65.3 Ų | 65.3 | 14% | 0.144 | 35% | 0.348 | C | S | . | . | S | Bend | trans | 87.1 | -101.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L233 W248 E249 E250 | L233-G246 VanDerWaalsContact CD2-C 3.47Å; L233-G246 WeakPolarHBondContact O-CA 3.43Å; G246-W248 VanDerWaalsContact C-N 3.25Å; G246-W248 PolarHBondContact O-N 3.05Å; G246-E249 PolarHBondContact O-N 3.39Å; G246-E250 PolarHBondContact O-N 2.79Å; G246-E250 VanDerWaalsContact O-N 3.16Å |
| 247 | F | 87.8 | Confident | 68.8 | Low | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.009 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -54.4 | -40.5 | -179.4 | -77.8 | -70.4 | 0 | 0 | 0 | 113.5 | V230 L233 F251 E512 Y515 R516 Y519 | V230-F247 HydrophobicContact CG1-CE2 4.5Å; V230-F247 HydrophobicContact CG1-CZ 4.19Å; V230-F247 HydrophobicContact CG2-CZ 4.36Å; L233-F247 HydrophobicContact CB-CD1 4.08Å; L233-F247 HydrophobicContact CB-CD2 3.7Å; L233-F247 HydrophobicContact CB-CE1 3.94Å; L233-F247 HydrophobicContact CB-CE2 3.56Å; L233-F247 HydrophobicContact CB-CG 3.96Å; L233-F247 HydrophobicContact CB-CZ 3.69Å; L233-F247 HydrophobicContact CD1-CD1 3.85Å; L233-F247 HydrophobicContact CD1-CE1 3.54Å; L233-F247 HydrophobicContact CD1-CZ 4Å; L233-F247 HydrophobicContact CG-CE1 4.38Å; L233-F247 VanDerWaalsContact O-CD2 3.23Å; L233-F247 WeakPolarHBondContact O-CD2 3.4Å; L233-F247 PolarHBondContact O-N 3Å; F247-F251 VanDerWaalsContact O-CB 3.27Å; F247-F251 WeakPolarHBondContact O-CB 3.28Å; F247-F251 PolarHBondContact O-N 3.23Å; F247-E512 HydrophobicContact CB-CG 4.46Å; F247-E512 WeakPolarHBondContact CB-OE1 3.25Å; F247-Y515 HydrophobicContact CD1-CD1 4.1Å; F247-Y515 HydrophobicContact CD1-CE1 4.23Å; F247-R516 HydrophobicContact CD1-CB 4.16Å; F247-R516 HydrophobicContact CD1-CG 4.29Å; F247-R516 HydrophobicContact CD2-CG 3.96Å; F247-R516 HydrophobicContact CE1-CB 4.45Å; F247-R516 HydrophobicContact CE1-CG 4.27Å; F247-R516 HydrophobicContact CE2-CG 3.94Å; F247-R516 HydrophobicContact CG-CB 4.2Å; F247-R516 HydrophobicContact CG-CG 4.13Å; F247-R516 HydrophobicContact CZ-CG 4.09Å; F247-Y519 HydrophobicContact CD1-CD2 4.16Å; F247-Y519 HydrophobicContact CE1-CD1 4.2Å; F247-Y519 AromaticContact CE1-CD2 3.56Å; F247-Y519 HydrophobicContact CE1-CD2 3.56Å; F247-Y519 HydrophobicContact CE1-CE2 4.16Å; F247-Y519 AromaticContact CE1-CG 3.57Å; F247-Y519 HydrophobicContact CE1-CG 3.57Å; F247-Y519 HydrophobicContact CZ-CG 4.27Å |
| 248 | W | 86.4 | Confident | 70.3 | Confident | 33 Ų | 33 | 57.6 Ų | 57.6 | 13% | 0.125 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65 | -44.5 | -178.5 | -176.4 | 80.4 | 0 | 0 | 0 | 112.4 | P9 P33 K244 G246 F251 E252 E512 | P9-W248 HydrophobicContact CB-CH2 3.64Å; P9-W248 HydrophobicContact CB-CZ2 4.49Å; P9-W248 HydrophobicContact CB-CZ3 4.39Å; P9-W248 WeakPolarHBondContact O-CH2 3.21Å; P33-W248 HydrophobicContact CG-CH2 4.47Å; P33-W248 HydrophobicContact CG-CZ2 3.75Å; K244-W248 HydrophobicContact CB-CB 4.48Å; K244-W248 HydrophobicContact CB-CD2 3.92Å; K244-W248 HydrophobicContact CB-CE3 3.85Å; K244-W248 HydrophobicContact CB-CG 4.18Å; K244-W248 HydrophobicContact CB-CZ3 4.43Å; K244-W248 HydrophobicContact CD-CD2 3.77Å; K244-W248 HydrophobicContact CD-CE3 4.16Å; K244-W248 HydrophobicContact CD-CG 4.23Å; K244-W248 HydrophobicContact CD-CH2 4.19Å; K244-W248 HydrophobicContact CD-CZ2 3.86Å; K244-W248 HydrophobicContact CD-CZ3 4.36Å; K244-W248 HydrophobicContact CG-CD2 4.48Å; G246-W248 VanDerWaalsContact C-N 3.25Å; G246-W248 PolarHBondContact O-N 3.05Å; W248-F251 PolarHBondContact O-N 3.33Å; W248-E252 HydrophobicContact CD2-CG 4.01Å; W248-E252 HydrophobicContact CE3-CG 4.39Å; W248-E252 HydrophobicContact CH2-CG 3.99Å; W248-E252 HydrophobicContact CZ2-CG 3.51Å; W248-E252 HydrophobicContact CZ3-CG 4.38Å; W248-E252 WeakPolarHBondContact O-CG 3.16Å; W248-E252 PolarHBondContact O-N 3.1Å; W248-E512 HydrophobicContact CB-CG 4.35Å |
| 249 | E | 81.7 | Confident | 72.1 | Confident | 63 Ų | 63 | 49 Ų | 49 | 29% | 0.294 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67.1 | -41.8 | -179.8 | -67.2 | 179.5 | 153 | 0 | 0 | 111.4 | Q245 G246 E252 T253 | Q245-E249 HydrophobicContact CG-CG 4.43Å; Q245-E249 WeakPolarHBondContact CG-OE1 3.38Å; Q245-E249 PolarHBondContact NE2-OE1 3.39Å; G246-E249 PolarHBondContact O-N 3.39Å; E249-E252 PolarHBondContact O-N 3.4Å; E249-T253 VanDerWaalsContact O-CB 3.32Å; E249-T253 WeakPolarHBondContact O-CB 3.14Å; E249-T253 PolarHBondContact O-N 3.25Å; E249-T253 PolarHBondContact O-OG1 3.39Å |
| 250 | E | 87.2 | Confident | 74 | Confident | 16 Ų | 16 | 49.8 Ų | 49.8 | 8% | 0.075 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.8 | -42.1 | 176.6 | -164.8 | -179.5 | 72.1 | 0 | 0 | 111.3 | T219 R229 L233 G246 T253 L254 P495 Y515 Y519 | T219-E250 HydrophobicContact CG2-CG 4.05Å; T219-E250 VanDerWaalsContact CG2-OE2 3.31Å; T219-E250 WeakPolarHBondContact CG2-OE2 3.25Å; R229-E250 IonicContact CZ-OE2 3.23Å; R229-E250 IonicContact NE-OE2 3.09Å; R229-E250 IonicContact NH2-OE2 2.81Å; R229-E250 PolarHBondContact NH2-OE2 2.65Å; L233-E250 HydrophobicContact CD2-CB 4.44Å; G246-E250 PolarHBondContact O-N 2.79Å; G246-E250 VanDerWaalsContact O-N 3.16Å; E250-T253 WeakPolarHBondContact O-CB 3.49Å; E250-T253 PolarHBondContact O-N 3.19Å; E250-L254 PolarHBondContact O-N 3.42Å; E250-L254 VanDerWaalsContact O-N 3.09Å; E250-P495 HydrophobicContact CG-CG 4.31Å; E250-Y515 HydrophobicContact CB-CE1 4.34Å; E250-Y515 HydrophobicContact CG-CE1 4.4Å; E250-Y515 WeakPolarHBondContact CG-OH 3.38Å; E250-Y515 VanDerWaalsContact OE1-CE1 3.29Å; E250-Y515 WeakPolarHBondContact OE1-CE1 3.31Å; E250-Y515 VanDerWaalsContact OE1-CZ 3.27Å; E250-Y515 PolarHBondContact OE1-OH 2.94Å; E250-Y519 WeakPolarHBondContact OE1-CE2 3.38Å; E250-Y519 VanDerWaalsContact OE1-CZ 3.31Å; E250-Y519 PolarHBondContact OE1-OH 3.05Å; E250-Y519 PolarHBondContact OE2-OH 3Å |
| 251 | F | 90.4 | Very high | 76.2 | Confident | 3 Ų | 3 | 46.2 Ų | 46.2 | 1% | 0.013 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.6 | -46.8 | 175.4 | -175.6 | -112.6 | 0 | 0 | 0 | 111.6 | F247 W248 T253 L254 Q255 E512 Y515 | F247-F251 VanDerWaalsContact O-CB 3.27Å; F247-F251 WeakPolarHBondContact O-CB 3.28Å; F247-F251 PolarHBondContact O-N 3.23Å; W248-F251 PolarHBondContact O-N 3.33Å; F251-T253 VanDerWaalsContact C-N 3.31Å; F251-T253 PolarHBondContact O-N 3.07Å; F251-L254 CarbonylContact O-C 3.58Å; F251-L254 WeakPolarHBondContact O-CA 3.38Å; F251-L254 VanDerWaalsContact O-CB 3.31Å; F251-L254 WeakPolarHBondContact O-CB 3.39Å; F251-L254 PolarHBondContact O-N 2.85Å; F251-L254 VanDerWaalsContact O-N 3.09Å; F251-Q255 HydrophobicContact CD1-CG 4.05Å; F251-Q255 HydrophobicContact CE1-CG 3.84Å; F251-Q255 HydrophobicContact CZ-CG 4.17Å; F251-Q255 WeakPolarHBondContact O-CG 3.09Å; F251-Q255 PolarHBondContact O-N 3.38Å; F251-E512 HydrophobicContact CB-CG 4.45Å; F251-E512 HydrophobicContact CD1-CB 3.82Å; F251-E512 HydrophobicContact CE1-CB 4.34Å; F251-E512 HydrophobicContact CG-CB 4.25Å; F251-Y515 HydrophobicContact CB-CD1 4.05Å; F251-Y515 HydrophobicContact CB-CE1 4.41Å; F251-Y515 HydrophobicContact CB-CG 4.14Å; F251-Y515 HydrophobicContact CD2-CD1 4.34Å; F251-Y515 AromaticContact CD2-CD2 3.54Å; F251-Y515 HydrophobicContact CD2-CD2 3.54Å; F251-Y515 HydrophobicContact CD2-CE2 4.25Å; F251-Y515 AromaticContact CD2-CG 3.58Å; F251-Y515 HydrophobicContact CD2-CG 3.58Å; F251-Y515 HydrophobicContact CE2-CD2 4.22Å; F251-Y515 HydrophobicContact CE2-CG 4.38Å; F251-Y515 HydrophobicContact CG-CD2 4.5Å; F251-Y515 HydrophobicContact CG-CG 4.21Å |
| 252 | E | 86 | Confident | 78.3 | Confident | 5 Ų | 5 | 40.2 Ų | 40.2 | 2% | 0.023 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.9 | -34.3 | 177.7 | -73.1 | -57.8 | 154.4 | 0 | 0 | 112.8 | R4 F7 W248 E249 L254 Q255 Q256 | R4-E252 IonicContact NH1-OE2 3.27Å; R4-E252 PolarHBondContact NH1-OE2 2.97Å; F7-E252 WeakPolarHBondContact CE1-OE2 3.3Å; F7-E252 WeakPolarHBondContact CZ-OE2 3.38Å; W248-E252 HydrophobicContact CD2-CG 4.01Å; W248-E252 HydrophobicContact CE3-CG 4.39Å; W248-E252 HydrophobicContact CH2-CG 3.99Å; W248-E252 HydrophobicContact CZ2-CG 3.51Å; W248-E252 HydrophobicContact CZ3-CG 4.38Å; W248-E252 WeakPolarHBondContact O-CG 3.16Å; W248-E252 PolarHBondContact O-N 3.1Å; E249-E252 PolarHBondContact O-N 3.4Å; E252-L254 VanDerWaalsContact C-N 3.27Å; E252-L254 PolarHBondContact O-N 3.4Å; E252-Q255 WeakPolarHBondContact O-CB 3.42Å; E252-Q255 PolarHBondContact O-N 3.31Å; E252-Q255 VanDerWaalsContact O-N 3.12Å; E252-Q256 PolarHBondContact O-N 2.96Å |
| 253 | T | 84.3 | Confident | 80.5 | Confident | 27 Ų | 27 | 38.2 Ų | 38.2 | 17% | 0.166 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.5 | -39.2 | 172.2 | -61.9 | 0 | 0 | 0 | 0 | 111.4 | R111 E249 E250 F251 | R111-T253 HydrophobicContact CB-CG2 4.22Å; R111-T253 HydrophobicContact CG-CG2 3.29Å; E249-T253 VanDerWaalsContact O-CB 3.32Å; E249-T253 WeakPolarHBondContact O-CB 3.14Å; E249-T253 PolarHBondContact O-N 3.25Å; E249-T253 PolarHBondContact O-OG1 3.39Å; E250-T253 WeakPolarHBondContact O-CB 3.49Å; E250-T253 PolarHBondContact O-N 3.19Å; F251-T253 VanDerWaalsContact C-N 3.31Å; F251-T253 PolarHBondContact O-N 3.07Å |
| 254 | L | 87.5 | Confident | 82.9 | Confident | 9 Ų | 9 | 34.7 Ų | 34.7 | 5% | 0.047 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.4 | -42.9 | 171.3 | 172.5 | 66.5 | 0 | 0 | 0 | 111.5 | E250 F251 E252 Q256 Q257 P495 I498 Q499 Y515 | E250-L254 PolarHBondContact O-N 3.42Å; E250-L254 VanDerWaalsContact O-N 3.09Å; F251-L254 CarbonylContact O-C 3.58Å; F251-L254 WeakPolarHBondContact O-CA 3.38Å; F251-L254 VanDerWaalsContact O-CB 3.31Å; F251-L254 WeakPolarHBondContact O-CB 3.39Å; F251-L254 PolarHBondContact O-N 2.85Å; F251-L254 VanDerWaalsContact O-N 3.09Å; E252-L254 VanDerWaalsContact C-N 3.27Å; E252-L254 PolarHBondContact O-N 3.4Å; L254-Q256 PolarHBondContact O-N 3.15Å; L254-Q257 WeakPolarHBondContact O-CB 3.19Å; L254-Q257 PolarHBondContact O-N 3.38Å; L254-P495 HydrophobicContact CB-CB 4.34Å; L254-P495 HydrophobicContact CD1-CB 4.32Å; L254-P495 HydrophobicContact CD2-CB 4.21Å; L254-I498 HydrophobicContact CD2-CB 3.97Å; L254-I498 HydrophobicContact CD2-CD1 4.22Å; L254-I498 HydrophobicContact CD2-CG2 3.72Å; L254-Q499 HydrophobicContact CD1-CB 3.89Å; L254-Q499 VanDerWaalsContact CD1-OE1 3.29Å; L254-Y515 HydrophobicContact CD2-CD2 4.39Å; L254-Y515 HydrophobicContact CD2-CE2 3.98Å |
| 255 | Q | 86 | Confident | 85 | Confident | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.009 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.6 | -35.9 | 176.3 | -63.3 | -60.7 | 89.3 | 0 | 0 | 112 | R4 Y63 F251 E252 Q257 E258 | R4-Q255 WeakPolarHBondContact CD-O 3.17Å; R4-Q255 VanDerWaalsContact NH1-CB 3.28Å; Y63-Q255 PolarHBondContact OH-NE2 2.91Å; F251-Q255 HydrophobicContact CD1-CG 4.05Å; F251-Q255 HydrophobicContact CE1-CG 3.84Å; F251-Q255 HydrophobicContact CZ-CG 4.17Å; F251-Q255 WeakPolarHBondContact O-CG 3.09Å; F251-Q255 PolarHBondContact O-N 3.38Å; E252-Q255 WeakPolarHBondContact O-CB 3.42Å; E252-Q255 PolarHBondContact O-N 3.31Å; E252-Q255 VanDerWaalsContact O-N 3.12Å; Q255-Q257 PolarHBondContact O-N 3.41Å; Q255-Q257 VanDerWaalsContact O-N 3.1Å; Q255-E258 WeakPolarHBondContact O-CB 3.38Å; Q255-E258 WeakPolarHBondContact O-CG 3.3Å; Q255-E258 PolarHBondContact O-N 2.9Å |
| 256 | Q | 79.8 | Confident | 86.2 | Confident | 20 Ų | 20 | 36.6 Ų | 36.6 | 9% | 0.093 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -23.6 | 177.1 | -164.7 | 65 | 0.5 | 0 | 0 | 113.3 | E252 L254 | E252-Q256 PolarHBondContact O-N 2.96Å; L254-Q256 PolarHBondContact O-N 3.15Å |
| 257 | Q | 81.8 | Confident | 87 | Confident | 22 Ų | 22 | 38.2 Ų | 38.2 | 10% | 0.103 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -6.7 | 179.3 | -50.9 | -54.1 | -61.1 | 0 | 0 | 113.6 | L254 Q255 C259 K260 | L254-Q257 WeakPolarHBondContact O-CB 3.19Å; L254-Q257 PolarHBondContact O-N 3.38Å; Q255-Q257 PolarHBondContact O-N 3.41Å; Q255-Q257 VanDerWaalsContact O-N 3.1Å; Q257-C259 VanDerWaalsContact C-N 3.27Å; Q257-C259 PolarHBondContact O-N 3.42Å; Q257-K260 WeakPolarHBondContact O-CB 3.37Å; Q257-K260 PolarHBondContact O-N 3.44Å; Q257-K260 VanDerWaalsContact OE1-CE 3.28Å |
| 258 | E | 81.8 | Confident | 87.5 | Confident | 10 Ų | 10 | 38.2 Ų | 38.2 | 5% | 0.047 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -62.6 | -32.5 | -174.6 | 77 | -172.7 | -178.8 | 0 | 0 | 112.9 | R4 T73 A75 Q255 K260 L261 | R4-E258 IonicContact CZ-OE1 3.8Å; R4-E258 IonicContact NE-OE1 2.95Å; R4-E258 PolarHBondContact NE-OE1 2.98Å; R4-E258 IonicContact NH2-OE1 2.62Å; R4-E258 PolarHBondContact NH2-OE1 2.89Å; T73-E258 WeakPolarHBondContact CB-OE2 3.32Å; A75-E258 HydrophobicContact CB-CG 3.63Å; A75-E258 WeakPolarHBondContact CB-OE1 3.13Å; A75-E258 PolarHBondContact N-OE1 3.47Å; Q255-E258 WeakPolarHBondContact O-CB 3.38Å; Q255-E258 WeakPolarHBondContact O-CG 3.3Å; Q255-E258 PolarHBondContact O-N 2.9Å; E258-K260 PolarHBondContact O-N 2.99Å; E258-L261 PolarHBondContact O-N 3.24Å |
| 259 | C | 78.3 | Confident | 88 | Confident | 10 Ų | 10 | 41.9 Ų | 41.9 | 7% | 0.068 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -64.6 | -19.6 | 176.9 | -74.6 | 0 | 0 | 0 | 0 | 113.4 | Q257 L261 | Q257-C259 VanDerWaalsContact C-N 3.27Å; Q257-C259 PolarHBondContact O-N 3.42Å; C259-L261 PolarHBondContact O-N 3.47Å |
| 260 | K | 77.8 | Confident | 88.7 | Confident | 142 Ų | 142 | 43.3 Ų | 43.3 | 62% | 0.617 | 20% | 0.201 | S | C | * | . | G | 310 helix | trans | -76.8 | -13.4 | 174.6 | -61.2 | -179.1 | 176.8 | 173.5 | 0 | 112.7 | Q257 E258 | Q257-K260 WeakPolarHBondContact O-CB 3.37Å; Q257-K260 PolarHBondContact O-N 3.44Å; Q257-K260 VanDerWaalsContact OE1-CE 3.28Å; E258-K260 PolarHBondContact O-N 2.99Å |
| 261 | L | 85.1 | Confident | 89.2 | Confident | 19 Ų | 19 | 48.8 Ų | 48.8 | 10% | 0.099 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -114.5 | 25.4 | -174.9 | -55.1 | -177.9 | 0 | 0 | 0 | 112.3 | E258 C259 Y263 F285 R502 | E258-L261 PolarHBondContact O-N 3.24Å; C259-L261 PolarHBondContact O-N 3.47Å; L261-Y263 HydrophobicContact CB-CD2 4.41Å; L261-Y263 HydrophobicContact CB-CE2 4Å; L261-Y263 HydrophobicContact CD2-CE2 3.76Å; L261-Y263 VanDerWaalsContact CD2-OH 3.25Å; L261-Y263 WeakPolarHBondContact CD2-OH 3.25Å; L261-Y263 HydrophobicContact CG-CE2 4.45Å; L261-Y263 PolarHBondContact O-N 2.96Å; L261-F285 WeakPolarHBondContact O-CZ 3.33Å; L261-R502 HydrophobicContact CD1-CB 3.74Å |
| 262 | L | 85.1 | Confident | 89.5 | Confident | 46 Ų | 46 | 53 Ų | 53 | 24% | 0.241 | 25% | 0.247 | C | C | . | . | trans | -75.9 | 68 | 173.9 | -66.8 | 175 | 0 | 0 | 0 | 110.6 | M1 A75 E76 | M1-L262 WeakPolarHBondContact O-CD1 3.47Å; A75-L262 HydrophobicContact CB-CD2 4.29Å; E76-L262 HydrophobicContact CG-CD2 4.08Å | ||
| 263 | Y | 92.1 | Very high | 90.1 | Very high | 90 Ų | 90 | 52.8 Ų | 52.8 | 35% | 0.353 | 25% | 0.246 | S | C | . | . | trans | -77.7 | 164.9 | 177.1 | -55.6 | -55.7 | 0 | 0 | 0 | 112.2 | L261 R265 F285 H287 S503 | L261-Y263 HydrophobicContact CB-CD2 4.41Å; L261-Y263 HydrophobicContact CB-CE2 4Å; L261-Y263 HydrophobicContact CD2-CE2 3.76Å; L261-Y263 VanDerWaalsContact CD2-OH 3.25Å; L261-Y263 WeakPolarHBondContact CD2-OH 3.25Å; L261-Y263 HydrophobicContact CG-CE2 4.45Å; L261-Y263 PolarHBondContact O-N 2.96Å; Y263-R265 PolarHBondContact O-NE 3.41Å; Y263-F285 HydrophobicContact CD2-CD1 4.49Å; Y263-F285 HydrophobicContact CD2-CD2 4.01Å; Y263-F285 HydrophobicContact CD2-CE1 4.34Å; Y263-F285 AromaticContact CD2-CE2 3.84Å; Y263-F285 HydrophobicContact CD2-CE2 3.84Å; Y263-F285 HydrophobicContact CD2-CG 4.35Å; Y263-F285 HydrophobicContact CD2-CZ 4.01Å; Y263-H287 AromaticContact CD2-CE1 3.65Å; Y263-H287 AromaticContact CG-CE1 3.92Å; Y263-S503 WeakPolarHBondContact CE2-O 3.49Å | ||
| 264 | S | 95.1 | Very high | 90.7 | Very high | 61 Ų | 61 | 56.8 Ų | 56.8 | 43% | 0.427 | 26% | 0.261 | S | S | . | . | trans | -69.5 | 144.7 | -179 | 70.5 | 0 | 0 | 0 | 0 | 111.8 | F285 D286 | S264-F285 WeakPolarHBondContact O-CA 3.31Å; S264-D286 WeakPolarHBondContact CB-OD2 3.45Å; S264-D286 PolarHBondContact O-N 2.76Å; S264-D286 PolarHBondContact OG-OD2 2.8Å | ||
| 265 | R | 97.3 | Very high | 91.2 | Very high | 32 Ų | 32 | 61.4 Ų | 61.4 | 12% | 0.121 | 29% | 0.285 | C | S | . | . | trans | -135.5 | 30.9 | -179.5 | -66.4 | 159.8 | -76.8 | 159 | 3.2 | 110.2 | E76 Y263 E267 G268 Q269 L283 P284 F285 D286 | E76-R265 VanDerWaalsContact CG-NH1 3.27Å; E76-R265 IonicContact OE1-CZ 2.77Å; E76-R265 IonicContact OE1-NE 3.89Å; E76-R265 IonicContact OE1-NH1 3.97Å; E76-R265 PolarHBondContact OE1-NH1 2.81Å; E76-R265 IonicContact OE2-NH1 2.78Å; E76-R265 PolarHBondContact OE2-NH1 3.03Å; Y263-R265 PolarHBondContact O-NE 3.41Å; R265-E267 VanDerWaalsContact C-N 3.33Å; R265-E267 PolarHBondContact O-N 2.94Å; R265-G268 PolarHBondContact O-N 3.16Å; R265-Q269 WeakPolarHBondContact O-CG 3.39Å; R265-Q269 PolarHBondContact O-N 2.89Å; R265-L283 HydrophobicContact CB-CB 3.95Å; R265-L283 HydrophobicContact CB-CD1 4.34Å; R265-L283 HydrophobicContact CG-CB 4.28Å; R265-P284 WeakPolarHBondContact CG-O 3.48Å; R265-F285 HydrophobicContact CG-CD1 3.64Å; R265-F285 HydrophobicContact CG-CE1 4.15Å; R265-D286 VanDerWaalsContact C-OD1 3.26Å; R265-D286 WeakPolarHBondContact CA-OD1 3.37Å; R265-D286 PolarHBondContact N-OD2 3.16Å | ||
| 266 | K | 97.6 | Very high | 91.8 | Very high | 142 Ų | 142 | 62.2 Ų | 62.2 | 62% | 0.617 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -64.7 | -37.4 | -168 | -68.6 | 179.4 | -179.6 | 178.1 | 0 | 111.5 | G268 Q269 R270 D286 | K266-G268 VanDerWaalsContact C-N 3.31Å; K266-G268 PolarHBondContact O-N 2.9Å; K266-Q269 WeakPolarHBondContact O-CB 3.26Å; K266-Q269 PolarHBondContact O-N 2.96Å; K266-R270 PolarHBondContact O-N 3.15Å; K266-D286 VanDerWaalsContact N-CG 3.33Å; K266-D286 PolarHBondContact N-OD1 3.28Å; K266-D286 PolarHBondContact N-OD2 2.8Å |
| 267 | E | 98.1 | Very high | 92.6 | Very high | 49 Ų | 49 | 61.9 Ų | 61.9 | 23% | 0.229 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.9 | -37.6 | -178.4 | -64.9 | -54.9 | 133.2 | 0 | 0 | 111.6 | R265 Q269 R270 N273 D286 Y304 | R265-E267 VanDerWaalsContact C-N 3.33Å; R265-E267 PolarHBondContact O-N 2.94Å; E267-Q269 VanDerWaalsContact C-N 3.26Å; E267-Q269 PolarHBondContact O-N 3.37Å; E267-R270 WeakPolarHBondContact O-CB 3.19Å; E267-R270 WeakPolarHBondContact O-CG 3.45Å; E267-R270 PolarHBondContact O-N 3Å; E267-R270 WeakPolarHBondContact OE2-CD 3.35Å; E267-R270 IonicContact OE2-CZ 2.87Å; E267-R270 IonicContact OE2-NE 2.82Å; E267-R270 IonicContact OE2-NH1 3.3Å; E267-R270 PolarHBondContact OE2-NH1 2.84Å; E267-N273 PolarHBondContact O-ND2 3.22Å; E267-D286 PolarHBondContact N-OD1 2.78Å; E267-Y304 HydrophobicContact CB-CD2 4.39Å |
| 268 | G | 97.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -70.4 | -19.7 | 175 | 0 | 0 | 0 | 0 | 0 | 114.5 | R265 K266 N277 Y304 | R265-G268 PolarHBondContact O-N 3.16Å; K266-G268 VanDerWaalsContact C-N 3.31Å; K266-G268 PolarHBondContact O-N 2.9Å; G268-N277 PolarHBondContact O-ND2 2.86Å; G268-Y304 VanDerWaalsContact CA-CE2 3.46Å; G268-Y304 VanDerWaalsContact CA-OH 3.32Å; G268-Y304 WeakPolarHBondContact CA-OH 3.41Å |
| 269 | Q | 97.2 | Very high | 94.1 | Very high | 111 Ų | 111 | 63.5 Ų | 63.5 | 52% | 0.519 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -86.8 | -13 | 179.3 | -67.4 | 172.1 | -24.8 | 0 | 0 | 113.4 | R265 K266 E267 L283 | R265-Q269 WeakPolarHBondContact O-CG 3.39Å; R265-Q269 PolarHBondContact O-N 2.89Å; K266-Q269 WeakPolarHBondContact O-CB 3.26Å; K266-Q269 PolarHBondContact O-N 2.96Å; E267-Q269 VanDerWaalsContact C-N 3.26Å; E267-Q269 PolarHBondContact O-N 3.37Å; Q269-L283 HydrophobicContact CG-CD1 3.47Å; Q269-L283 VanDerWaalsContact CG-CD1 3.47Å |
| 270 | R | 97.5 | Very high | 94.9 | Very high | 92 Ų | 92 | 67.8 Ų | 67.8 | 35% | 0.347 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -55.4 | 143.9 | 178.7 | -69.1 | 178.8 | 66.2 | 165.2 | 3.2 | 111.4 | K266 E267 E272 N273 K274 | K266-R270 PolarHBondContact O-N 3.15Å; E267-R270 WeakPolarHBondContact O-CB 3.19Å; E267-R270 WeakPolarHBondContact O-CG 3.45Å; E267-R270 PolarHBondContact O-N 3Å; E267-R270 WeakPolarHBondContact OE2-CD 3.35Å; E267-R270 IonicContact OE2-CZ 2.87Å; E267-R270 IonicContact OE2-NE 2.82Å; E267-R270 IonicContact OE2-NH1 3.3Å; E267-R270 PolarHBondContact OE2-NH1 2.84Å; R270-E272 IonicContact NE-OE2 3.3Å; R270-E272 PolarHBondContact O-N 3.09Å; R270-N273 HydrophobicContact CB-CB 4.34Å; R270-N273 PolarHBondContact O-N 2.88Å; R270-K274 PolarHBondContact O-N 2.9Å |
| 271 | Q | 96.9 | Very high | 95.7 | Very high | 131 Ų | 131 | 61.8 Ų | 61.8 | 61% | 0.612 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -37.6 | -172.7 | -177.7 | 56.7 | 42.6 | 0 | 0 | 112 | N273 | Q271-N273 VanDerWaalsContact C-N 3.3Å; Q271-N273 PolarHBondContact O-N 2.96Å |
| 272 | E | 96.9 | Very high | 96.3 | Very high | 93 Ų | 93 | 61 Ų | 61 | 44% | 0.435 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -26.2 | 178.9 | -52.8 | 85.4 | 170.3 | 0 | 0 | 112.5 | R270 N275 V301 | R270-E272 IonicContact NE-OE2 3.3Å; R270-E272 PolarHBondContact O-N 3.09Å; E272-N275 PolarHBondContact O-OD1 3.21Å; E272-V301 HydrophobicContact CB-CB 3.98Å; E272-V301 HydrophobicContact CB-CG2 3.88Å; E272-V301 HydrophobicContact CG-CB 4.36Å; E272-V301 HydrophobicContact CG-CG2 3.77Å |
| 273 | N | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -11.9 | -175.9 | -68.4 | -25.3 | 0 | 0 | 0 | 113.4 | E267 R270 Q271 N275 K276 N277 Y304 | E267-N273 PolarHBondContact O-ND2 3.22Å; R270-N273 HydrophobicContact CB-CB 4.34Å; R270-N273 PolarHBondContact O-N 2.88Å; Q271-N273 VanDerWaalsContact C-N 3.3Å; Q271-N273 PolarHBondContact O-N 2.96Å; N273-N275 VanDerWaalsContact C-N 3.27Å; N273-N275 PolarHBondContact O-N 3.31Å; N273-K276 WeakPolarHBondContact O-CA 3.48Å; N273-K276 WeakPolarHBondContact O-CB 3.27Å; N273-K276 PolarHBondContact O-N 2.98Å; N273-N277 PolarHBondContact O-ND2 3.17Å; N273-N277 VanDerWaalsContact O-ND2 3.12Å; N273-Y304 HydrophobicContact CB-CD1 3.68Å; N273-Y304 HydrophobicContact CB-CD2 4.45Å; N273-Y304 HydrophobicContact CB-CE1 3.89Å; N273-Y304 HydrophobicContact CB-CG 3.98Å; N273-Y304 VanDerWaalsContact CG-CB 3.49Å; N273-Y304 VanDerWaalsContact CG-CD1 3.49Å; N273-Y304 WeakPolarHBondContact ND2-CB 3.26Å; N273-Y304 VanDerWaalsContact ND2-CG 3.33Å; N273-Y304 VanDerWaalsContact OD1-CB 3.26Å; N273-Y304 WeakPolarHBondContact OD1-CB 3.22Å |
| 274 | K | 96.7 | Very high | 97.3 | Very high | 111 Ų | 111 | 55 Ų | 55 | 48% | 0.483 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -53.5 | -42.2 | -177.4 | -78.2 | 179.5 | -179.2 | 171.5 | 0 | 113.1 | R270 K276 N277 | R270-K274 PolarHBondContact O-N 2.9Å; K274-K276 VanDerWaalsContact C-N 3.29Å; K274-K276 PolarHBondContact O-N 2.78Å; K274-N277 PolarHBondContact O-N 2.93Å |
| 275 | N | 97.8 | Very high | 97.4 | Very high | 105 Ų | 105 | 52.1 Ų | 52.1 | 56% | 0.561 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -80.4 | -6.5 | 179.8 | 69.5 | -3.3 | 0 | 0 | 0 | 113.7 | E272 N273 N277 N336 | E272-N275 PolarHBondContact O-OD1 3.21Å; N273-N275 VanDerWaalsContact C-N 3.27Å; N273-N275 PolarHBondContact O-N 3.31Å; N275-N277 VanDerWaalsContact C-N 3.31Å; N275-N336 PolarHBondContact O-ND2 3.24Å |
| 276 | K | 98.5 | Very high | 97.5 | Very high | 19 Ų | 19 | 52.1 Ų | 52.1 | 8% | 0.083 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -87.2 | -5.2 | 173.4 | -59.2 | -174.9 | 177.6 | -173 | 0 | 111.7 | N273 K274 V301 Y304 Q331 T337 D340 | N273-K276 WeakPolarHBondContact O-CA 3.48Å; N273-K276 WeakPolarHBondContact O-CB 3.27Å; N273-K276 PolarHBondContact O-N 2.98Å; K274-K276 VanDerWaalsContact C-N 3.29Å; K274-K276 PolarHBondContact O-N 2.78Å; K276-V301 PolarHBondContact NZ-O 3.01Å; K276-Y304 HydrophobicContact CB-CD1 3.94Å; K276-Y304 HydrophobicContact CB-CE1 3.95Å; K276-Y304 HydrophobicContact CD-CD1 3.95Å; K276-Q331 PolarHBondContact O-NE2 2.87Å; K276-T337 HydrophobicContact CB-CG2 3.97Å; K276-T337 HydrophobicContact CG-CG2 4.27Å; K276-D340 IonicContact NZ-OD2 3.97Å |
| 277 | N | 98.5 | Very high | 97.5 | Very high | 14 Ų | 14 | 50.1 Ų | 50.1 | 8% | 0.075 | 23% | 0.23 | C | C | . | . | trans | -100.9 | 121.9 | 178.3 | -58.8 | -47.7 | 0 | 0 | 0 | 110.9 | G268 N273 K274 N275 Y279 L283 Y304 N306 | G268-N277 PolarHBondContact O-ND2 2.86Å; N273-N277 PolarHBondContact O-ND2 3.17Å; N273-N277 VanDerWaalsContact O-ND2 3.12Å; K274-N277 PolarHBondContact O-N 2.93Å; N275-N277 VanDerWaalsContact C-N 3.31Å; N277-Y279 PolarHBondContact O-N 3.24Å; N277-L283 HydrophobicContact CB-CD2 4.08Å; N277-L283 WeakPolarHBondContact ND2-CD2 3.32Å; N277-Y304 PolarHBondContact OD1-OH 3.47Å; N277-N306 PolarHBondContact OD1-ND2 3.16Å | ||
| 278 | R | 97.9 | Very high | 97.5 | Very high | 41 Ų | 41 | 48.6 Ų | 48.6 | 16% | 0.155 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -63.5 | -33.5 | 176.2 | 177.6 | 170.8 | -77.5 | -83.4 | 3.3 | 111.8 | G332 C333 L334 S365 K366 S464 | R278-G332 PolarHBondContact NE-O 2.87Å; R278-C333 PolarHBondContact NH2-O 2.86Å; R278-L334 HydrophobicContact CB-CD1 4.44Å; R278-L334 HydrophobicContact CB-CD2 4Å; R278-L334 HydrophobicContact CB-CG 4.31Å; R278-L334 HydrophobicContact CG-CD2 4.16Å; R278-S365 PolarHBondContact NH1-O 2.93Å; R278-K366 PolarHBondContact NE-O 2.8Å; R278-K366 VanDerWaalsContact NE-O 3.16Å; R278-K366 PolarHBondContact NH2-O 2.87Å; R278-S464 WeakPolarHBondContact CD-O 3.29Å |
| 279 | Y | 96.7 | Very high | 97.6 | Very high | 24 Ų | 24 | 50.4 Ų | 50.4 | 9% | 0.094 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -127.4 | 123.1 | 173.3 | -55 | -73.8 | 0 | 0 | 0 | 108.9 | Y62 K70 N277 N281 I282 S464 A465 | Y62-Y279 HydrophobicContact CD1-CD2 4.46Å; Y62-Y279 HydrophobicContact CD1-CE1 4.12Å; Y62-Y279 HydrophobicContact CD1-CE2 4.06Å; Y62-Y279 AromaticContact CD1-CZ 3.87Å; Y62-Y279 HydrophobicContact CE1-CD1 4.37Å; Y62-Y279 AromaticContact CE1-CE1 3.58Å; Y62-Y279 HydrophobicContact CE1-CE1 3.58Å; Y62-Y279 HydrophobicContact CE1-CE2 4.01Å; Y62-Y279 AromaticContact CE1-CZ 3.37Å; Y62-Y279 WeakPolarHBondContact CE1-OH 3.3Å; K70-Y279 HydrophobicContact CB-CD1 4.42Å; K70-Y279 HydrophobicContact CD-CD1 3.58Å; K70-Y279 HydrophobicContact CD-CE1 3.72Å; N277-Y279 PolarHBondContact O-N 3.24Å; Y279-N281 PolarHBondContact O-N 2.49Å; Y279-N281 VanDerWaalsContact O-N 3.11Å; Y279-I282 HydrophobicContact CD2-CD1 3.92Å; Y279-I282 HydrophobicContact CG-CD1 3.95Å; Y279-I282 PolarHBondContact O-N 2.94Å; Y279-I282 VanDerWaalsContact O-N 3.1Å; Y279-S464 PolarHBondContact OH-OG 3.06Å; Y279-A465 HydrophobicContact CD2-CB 3.72Å; Y279-A465 HydrophobicContact CE2-CB 3.66Å |
| 280 | K | 95.2 | Very high | 97.6 | Very high | 100 Ų | 100 | 45.2 Ų | 45.2 | 44% | 0.435 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -37.8 | -172.8 | 179.3 | -176.1 | 160.3 | -166.8 | 0 | 114 | E69 Y80 | E69-K280 IonicContact OE1-NZ 3.08Å; E69-K280 PolarHBondContact OE1-NZ 2.87Å; Y80-K280 PolarHBondContact OH-NZ 2.81Å |
| 281 | N | 94.3 | Very high | 97.7 | Very high | 16 Ų | 16 | 43.2 Ų | 43.2 | 9% | 0.086 | 20% | 0.204 | C | C | . | . | B | Isolated β-bridge | trans | -108.8 | 13.1 | -175.5 | -49.5 | -42.1 | 0 | 0 | 0 | 113.6 | E69 K70 F71 Y279 | E69-N281 VanDerWaalsContact CB-ND2 3.28Å; E69-N281 WeakPolarHBondContact CB-ND2 3.19Å; K70-N281 WeakPolarHBondContact O-CB 3.43Å; F71-N281 HydrophobicContact CD1-CB 3.59Å; F71-N281 HydrophobicContact CE1-CB 3.59Å; F71-N281 WeakPolarHBondContact CE1-ND2 3.21Å; F71-N281 HydrophobicContact CG-CB 4.44Å; F71-N281 HydrophobicContact CZ-CB 4.44Å; F71-N281 VanDerWaalsContact CZ-ND2 3.26Å; F71-N281 WeakPolarHBondContact CZ-ND2 3.33Å; Y279-N281 PolarHBondContact O-N 2.49Å; Y279-N281 VanDerWaalsContact O-N 3.11Å |
| 282 | I | 97.7 | Very high | 97.8 | Very high | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | trans | -111 | 95 | 172.9 | -54.3 | 180 | 0 | 0 | 0 | 107.6 | Y62 A72 Y279 N306 A465 I467 | Y62-I282 HydrophobicContact CD1-CD1 4.34Å; Y62-I282 HydrophobicContact CG-CD1 4.25Å; A72-I282 HydrophobicContact CB-CG1 4.38Å; A72-I282 HydrophobicContact CB-CG2 4.24Å; Y279-I282 HydrophobicContact CD2-CD1 3.92Å; Y279-I282 HydrophobicContact CG-CD1 3.95Å; Y279-I282 PolarHBondContact O-N 2.94Å; Y279-I282 VanDerWaalsContact O-N 3.1Å; I282-N306 PolarHBondContact O-ND2 3.2Å; I282-A465 HydrophobicContact CD1-CB 3.88Å; I282-A465 HydrophobicContact CG2-CB 4.38Å; I282-I467 HydrophobicContact CD1-CD1 4.23Å; I282-I467 HydrophobicContact CG2-CD1 4.13Å; I282-I467 HydrophobicContact CG2-CG2 4.2Å | ||
| 283 | L | 98.5 | Very high | 97.7 | Very high | 8 Ų | 8 | 38.1 Ų | 38.1 | 4% | 0.042 | 18% | 0.18 | C | C | . | . | trans | -121.4 | 149.8 | -167.3 | -57.9 | -180 | 0 | 0 | 0 | 110.8 | R265 Q269 N277 | R265-L283 HydrophobicContact CB-CB 3.95Å; R265-L283 HydrophobicContact CB-CD1 4.34Å; R265-L283 HydrophobicContact CG-CB 4.28Å; Q269-L283 HydrophobicContact CG-CD1 3.47Å; Q269-L283 VanDerWaalsContact CG-CD1 3.47Å; N277-L283 HydrophobicContact CB-CD2 4.08Å; N277-L283 WeakPolarHBondContact ND2-CD2 3.32Å | ||
| 284 | P | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -69.5 | 146.1 | 174.5 | 32.6 | -35.7 | 0 | 0 | 0 | 110.5 | R265 R289 Y304 N308 | R265-P284 WeakPolarHBondContact CG-O 3.48Å; P284-R289 HydrophobicContact CB-CB 4.15Å; P284-R289 HydrophobicContact CG-CB 4.42Å; P284-Y304 WeakPolarHBondContact CD-OH 3.48Å; P284-Y304 HydrophobicContact CG-CE2 3.79Å; P284-N308 WeakPolarHBondContact CA-OD1 3.36Å; P284-N308 WeakPolarHBondContact CB-OD1 3.44Å | ||
| 285 | F | 98.4 | Very high | 96.9 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 0% | 0.004 | 20% | 0.201 | C | C | . | . | trans | -68 | 141.3 | 167.7 | -65.9 | -44 | 0 | 0 | 0 | 110.9 | L261 Y263 S264 R265 H287 R289 N308 R502 R505 S506 | L261-F285 WeakPolarHBondContact O-CZ 3.33Å; Y263-F285 HydrophobicContact CD2-CD1 4.49Å; Y263-F285 HydrophobicContact CD2-CD2 4.01Å; Y263-F285 HydrophobicContact CD2-CE1 4.34Å; Y263-F285 AromaticContact CD2-CE2 3.84Å; Y263-F285 HydrophobicContact CD2-CE2 3.84Å; Y263-F285 HydrophobicContact CD2-CG 4.35Å; Y263-F285 HydrophobicContact CD2-CZ 4.01Å; S264-F285 WeakPolarHBondContact O-CA 3.31Å; R265-F285 HydrophobicContact CG-CD1 3.64Å; R265-F285 HydrophobicContact CG-CE1 4.15Å; F285-H287 VanDerWaalsContact C-N 3.33Å; F285-H287 AromaticContact CD2-CE1 3.92Å; F285-H287 AromaticContact CG-CE1 3.93Å; F285-H287 PolarHBondContact O-N 2.99Å; F285-R289 WeakPolarHBondContact O-CB 3.35Å; F285-R289 PolarHBondContact O-N 3.38Å; F285-N308 PolarHBondContact N-ND2 2.6Å; F285-N308 PolarHBondContact O-ND2 3.06Å; F285-R502 WeakPolarHBondContact CE2-O 3.34Å; F285-R505 VanDerWaalsContact CE2-C 3.49Å; F285-S506 VanDerWaalsContact CE2-N 3.26Å | ||
| 286 | D | 98.4 | Very high | 96.4 | Very high | 32 Ų | 32 | 38.9 Ų | 38.9 | 17% | 0.171 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -34.9 | -173.7 | -59 | -40 | 0 | 0 | 0 | 112.3 | S264 R265 K266 E267 T288 | S264-D286 WeakPolarHBondContact CB-OD2 3.45Å; S264-D286 PolarHBondContact O-N 2.76Å; S264-D286 PolarHBondContact OG-OD2 2.8Å; R265-D286 VanDerWaalsContact C-OD1 3.26Å; R265-D286 WeakPolarHBondContact CA-OD1 3.37Å; R265-D286 PolarHBondContact N-OD2 3.16Å; K266-D286 VanDerWaalsContact N-CG 3.33Å; K266-D286 PolarHBondContact N-OD1 3.28Å; K266-D286 PolarHBondContact N-OD2 2.8Å; E267-D286 PolarHBondContact N-OD1 2.78Å; D286-T288 VanDerWaalsContact C-N 3.32Å; D286-T288 PolarHBondContact O-N 2.86Å |
| 287 | H | 98.1 | Very high | 95.9 | Very high | 100 Ų | 100 | 44 Ų | 44 | 46% | 0.463 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -15.3 | -173.9 | 66.7 | -74 | 0 | 0 | 0 | 114.7 | Y263 F285 S503 | Y263-H287 AromaticContact CD2-CE1 3.65Å; Y263-H287 AromaticContact CG-CE1 3.92Å; F285-H287 VanDerWaalsContact C-N 3.33Å; F285-H287 AromaticContact CD2-CE1 3.92Å; F285-H287 AromaticContact CG-CE1 3.93Å; F285-H287 PolarHBondContact O-N 2.99Å; H287-S503 PolarHBondContact CE1-O 3.26Å; H287-S503 PolarHBondContact NE2-O 3.1Å; H287-S503 VanDerWaalsContact NE2-O 3.1Å |
| 288 | T | 98.2 | Very high | 95.5 | Very high | 17 Ų | 17 | 50 Ų | 50 | 10% | 0.104 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127.8 | 5.2 | -179.5 | 48.8 | 0 | 0 | 0 | 0 | 112.4 | D286 N308 I309 Q504 | D286-T288 VanDerWaalsContact C-N 3.32Å; D286-T288 PolarHBondContact O-N 2.86Å; T288-N308 CarbonylContact O-C 3.58Å; T288-N308 WeakPolarHBondContact O-CA 3.5Å; T288-N308 PolarHBondContact O-ND2 3.45Å; T288-N308 PolarHBondContact OG1-ND2 2.88Å; T288-I309 PolarHBondContact O-N 3.06Å; T288-Q504 HydrophobicContact CG2-CB 4.11Å; T288-Q504 HydrophobicContact CG2-CG 4.18Å; T288-Q504 PolarHBondContact OG1-O 3.45Å |
| 289 | R | 98.7 | Very high | 95.1 | Very high | 39 Ų | 39 | 52.4 Ų | 52.4 | 15% | 0.147 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 149.3 | 179.1 | 73.6 | -179.1 | -179.7 | 95.2 | -10.6 | 110.2 | P284 F285 V291 D303 A307 N308 | P284-R289 HydrophobicContact CB-CB 4.15Å; P284-R289 HydrophobicContact CG-CB 4.42Å; F285-R289 WeakPolarHBondContact O-CB 3.35Å; F285-R289 PolarHBondContact O-N 3.38Å; R289-V291 HydrophobicContact CG-CG2 4.22Å; R289-V291 PolarHBondContact O-N 3.48Å; R289-D303 IonicContact CZ-OD2 3.85Å; R289-D303 PolarHBondContact NH1-O 3.02Å; R289-D303 IonicContact NH1-OD2 2.78Å; R289-D303 PolarHBondContact NH1-OD2 3.37Å; R289-D303 IonicContact NH2-OD2 2.83Å; R289-D303 PolarHBondContact NH2-OD2 2.85Å; R289-A307 VanDerWaalsContact CA-O 3.29Å; R289-A307 WeakPolarHBondContact CA-O 3.46Å; R289-N308 PolarHBondContact N-ND2 3.2Å |
| 290 | V | 98.8 | Very high | 94.6 | Very high | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.012 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 123.4 | 168.2 | -171 | 0 | 0 | 0 | 0 | 108.8 | L292 I305 A307 I309 I328 M344 E348 | V290-L292 HydrophobicContact CG1-CD2 4.45Å; V290-I305 HydrophobicContact CB-CG2 4Å; V290-I305 HydrophobicContact CG1-CG2 4.5Å; V290-A307 HydrophobicContact CB-CB 4.32Å; V290-A307 HydrophobicContact CG2-CB 3.89Å; V290-A307 PolarHBondContact N-O 3.28Å; V290-I309 HydrophobicContact CG2-CD1 3.7Å; V290-I309 HydrophobicContact CG2-CG1 4.17Å; V290-I328 HydrophobicContact CG2-CD1 4.35Å; V290-I328 HydrophobicContact CG2-CG2 3.98Å; V290-M344 HydrophobicContact CB-CG 4.42Å; V290-M344 HydrophobicContact CG1-CG 3.85Å; V290-M344 HydrophobicContact CG2-SD 4.37Å; V290-E348 HydrophobicContact CG1-CG 4.15Å |
| 291 | V | 98.7 | Very high | 94.5 | Very high | 50 Ų | 50 | 52.7 Ų | 52.7 | 30% | 0.303 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 118.1 | 177.7 | -173.5 | 0 | 0 | 0 | 0 | 108 | R289 D303 Q347 | R289-V291 HydrophobicContact CG-CG2 4.22Å; R289-V291 PolarHBondContact O-N 3.48Å; V291-D303 HydrophobicContact CG1-CB 4.06Å; V291-Q347 PolarHBondContact O-NE2 2.64Å |
| 292 | L | 98.4 | Very high | 94.5 | Very high | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -81.9 | 125.4 | 178.8 | -56.7 | -178.6 | 0 | 0 | 0 | 111 | V290 D303 I305 D340 M344 | V290-L292 HydrophobicContact CG1-CD2 4.45Å; L292-D303 PolarHBondContact N-O 3.49Å; L292-D303 VanDerWaalsContact O-CA 3.26Å; L292-D303 WeakPolarHBondContact O-CA 3.29Å; L292-D303 WeakPolarHBondContact O-CB 3.47Å; L292-I305 HydrophobicContact CD1-CB 4.03Å; L292-I305 HydrophobicContact CD1-CG2 4.24Å; L292-I305 HydrophobicContact CD2-CG2 3.98Å; L292-I305 HydrophobicContact CG-CB 4.33Å; L292-I305 HydrophobicContact CG-CG2 4Å; L292-D340 HydrophobicContact CD1-CB 3.78Å; L292-M344 HydrophobicContact CD2-CB 3.73Å; L292-M344 HydrophobicContact CD2-CG 4.29Å |
| 293 | H | 95.1 | Very high | 94.5 | Very high | 113 Ų | 113 | 54.5 Ų | 54.5 | 52% | 0.523 | 30% | 0.301 | S | S | . | . | trans | -94.4 | 175.6 | 173.7 | -54.3 | -50 | 0 | 0 | 0 | 110.5 | G295 R343 Q347 | H293-G295 PolarHBondContact O-N 3.48Å; H293-R343 PolarHBondContact O-NH2 3.32Å; H293-Q347 PolarHBondContact CD2-OE1 3.44Å | ||
| 294 | D | 90.8 | Very high | 94.5 | Very high | 135 Ų | 135 | 54.1 Ų | 54.1 | 72% | 0.722 | 30% | 0.299 | S | S | * | . | S | Bend | trans | 48.1 | 39.4 | 177.9 | -59 | -14.7 | 0 | 0 | 0 | 114 | K405 | D294-K405 IonicContact OD2-NZ 2.94Š|
| 295 | G | 88.1 | Confident | 94.5 | Very high | 19 Ų | 19 | 54.5 Ų | 54.5 | 20% | 0.196 | 30% | 0.301 | C | S | . | . | trans | -73.2 | 168.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | H293 P297 S302 R343 | H293-G295 PolarHBondContact O-N 3.48Å; G295-P297 VanDerWaalsContact O-CD 3.29Å; G295-P297 WeakPolarHBondContact O-CD 3.29Å; G295-S302 WeakPolarHBondContact CA-OG 3.49Å; G295-R343 VanDerWaalsContact CA-NH2 3.26Å | ||
| 296 | D | 87.5 | Confident | 94.5 | Very high | 79 Ų | 79 | 54.5 Ų | 54.5 | 42% | 0.422 | 30% | 0.301 | S | S | . | . | trans | -62.8 | 120 | 174.8 | -172.4 | -17.6 | 0 | 0 | 0 | 109.4 | N298 E299 | D296-N298 PolarHBondContact O-N 2.79Å; D296-N298 VanDerWaalsContact OD1-CB 3.31Å; D296-N298 WeakPolarHBondContact OD1-CB 3.28Å; D296-N298 PolarHBondContact OD1-N 3.18Å; D296-N298 PolarHBondContact OD1-ND2 3Å; D296-E299 HydrophobicContact CB-CB 4.33Å; D296-E299 HydrophobicContact CB-CG 4.21Å; D296-E299 PolarHBondContact O-N 3.36Å | ||
| 297 | P | 88.2 | Confident | 94.6 | Very high | 127 Ų | 127 | 53 Ų | 53 | 83% | 0.825 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -18.3 | 177 | -23.1 | 34.4 | 0 | 0 | 0 | 113.8 | G295 | G295-P297 VanDerWaalsContact O-CD 3.29Å; G295-P297 WeakPolarHBondContact O-CD 3.29Å |
| 298 | N | 90.2 | Very high | 94.6 | Very high | 140 Ų | 140 | 48.2 Ų | 48.2 | 75% | 0.749 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -15.1 | 176.4 | -54.8 | -64.1 | 0 | 0 | 0 | 113.2 | D296 P300 | D296-N298 PolarHBondContact O-N 2.79Å; D296-N298 VanDerWaalsContact OD1-CB 3.31Å; D296-N298 WeakPolarHBondContact OD1-CB 3.28Å; D296-N298 PolarHBondContact OD1-N 3.18Å; D296-N298 PolarHBondContact OD1-ND2 3Å; N298-P300 WeakPolarHBondContact O-CD 3.4Å |
| 299 | E | 88.2 | Confident | 94.6 | Very high | 90 Ų | 90 | 49.3 Ų | 49.3 | 42% | 0.421 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -84.3 | 122.8 | 172.3 | -81.1 | -166.2 | 171.8 | 0 | 0 | 110 | D296 V301 | D296-E299 HydrophobicContact CB-CB 4.33Å; D296-E299 HydrophobicContact CB-CG 4.21Å; D296-E299 PolarHBondContact O-N 3.36Å; E299-V301 PolarHBondContact O-N 3.26Å; E299-V301 VanDerWaalsContact O-N 3.15Å |
| 300 | P | 86.8 | Confident | 94.6 | Very high | 121 Ų | 121 | 47.4 Ų | 47.4 | 79% | 0.786 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -59.2 | -30.2 | 179.2 | -25.6 | 34.1 | 0 | 0 | 0 | 113.9 | N298 | N298-P300 WeakPolarHBondContact O-CD 3.4Š|
| 301 | V | 92.1 | Very high | 94.4 | Very high | 9 Ų | 9 | 50.7 Ų | 50.7 | 6% | 0.055 | 28% | 0.284 | C | S | . | . | trans | -140.3 | 92.8 | -179.1 | -173.4 | 0 | 0 | 0 | 0 | 110.2 | E272 K276 E299 D303 | E272-V301 HydrophobicContact CB-CB 3.98Å; E272-V301 HydrophobicContact CB-CG2 3.88Å; E272-V301 HydrophobicContact CG-CB 4.36Å; E272-V301 HydrophobicContact CG-CG2 3.77Å; K276-V301 PolarHBondContact NZ-O 3.01Å; E299-V301 PolarHBondContact O-N 3.26Å; E299-V301 VanDerWaalsContact O-N 3.15Å; V301-D303 WeakPolarHBondContact CG1-OD1 3.29Å | ||
| 302 | S | 95 | Very high | 93.8 | Very high | 24 Ų | 24 | 49.5 Ų | 49.5 | 17% | 0.168 | 28% | 0.278 | C | S | . | . | trans | -109.2 | 5.3 | -178 | 64.6 | 0 | 0 | 0 | 0 | 113.9 | G295 R343 | G295-S302 WeakPolarHBondContact CA-OG 3.49Å; S302-R343 PolarHBondContact O-NH1 3.31Å; S302-R343 PolarHBondContact O-NH2 2.94Å | ||
| 303 | D | 97.9 | Very high | 92.7 | Very high | 35 Ų | 35 | 53.2 Ų | 53.2 | 19% | 0.187 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -100.4 | 0.1 | -170.6 | 81.5 | -47.3 | 0 | 0 | 0 | 114.5 | R289 V291 L292 V301 | R289-D303 IonicContact CZ-OD2 3.85Å; R289-D303 PolarHBondContact NH1-O 3.02Å; R289-D303 IonicContact NH1-OD2 2.78Å; R289-D303 PolarHBondContact NH1-OD2 3.37Å; R289-D303 IonicContact NH2-OD2 2.83Å; R289-D303 PolarHBondContact NH2-OD2 2.85Å; V291-D303 HydrophobicContact CG1-CB 4.06Å; L292-D303 PolarHBondContact N-O 3.49Å; L292-D303 VanDerWaalsContact O-CA 3.26Å; L292-D303 WeakPolarHBondContact O-CA 3.29Å; L292-D303 WeakPolarHBondContact O-CB 3.47Å; V301-D303 WeakPolarHBondContact CG1-OD1 3.29Å |
| 304 | Y | 98.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 133.5 | -171.5 | -178.5 | -96.3 | 0 | 0 | 0 | 113.4 | E267 G268 N273 K276 N277 P284 N306 | E267-Y304 HydrophobicContact CB-CD2 4.39Å; G268-Y304 VanDerWaalsContact CA-CE2 3.46Å; G268-Y304 VanDerWaalsContact CA-OH 3.32Å; G268-Y304 WeakPolarHBondContact CA-OH 3.41Å; N273-Y304 HydrophobicContact CB-CD1 3.68Å; N273-Y304 HydrophobicContact CB-CD2 4.45Å; N273-Y304 HydrophobicContact CB-CE1 3.89Å; N273-Y304 HydrophobicContact CB-CG 3.98Å; N273-Y304 VanDerWaalsContact CG-CB 3.49Å; N273-Y304 VanDerWaalsContact CG-CD1 3.49Å; N273-Y304 WeakPolarHBondContact ND2-CB 3.26Å; N273-Y304 VanDerWaalsContact ND2-CG 3.33Å; N273-Y304 VanDerWaalsContact OD1-CB 3.26Å; N273-Y304 WeakPolarHBondContact OD1-CB 3.22Å; K276-Y304 HydrophobicContact CB-CD1 3.94Å; K276-Y304 HydrophobicContact CB-CE1 3.95Å; K276-Y304 HydrophobicContact CD-CD1 3.95Å; N277-Y304 PolarHBondContact OD1-OH 3.47Å; P284-Y304 WeakPolarHBondContact CD-OH 3.48Å; P284-Y304 HydrophobicContact CG-CE2 3.79Å; Y304-N306 HydrophobicContact CE1-CB 4.47Å |
| 305 | I | 98.8 | Very high | 88.5 | Confident | 8 Ų | 8 | 55.3 Ų | 55.3 | 4% | 0.041 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 146.2 | 161.1 | -173.6 | 162.8 | 0 | 0 | 0 | 109 | V290 L292 A307 D340 F341 M344 | V290-I305 HydrophobicContact CB-CG2 4Å; V290-I305 HydrophobicContact CG1-CG2 4.5Å; L292-I305 HydrophobicContact CD1-CB 4.03Å; L292-I305 HydrophobicContact CD1-CG2 4.24Å; L292-I305 HydrophobicContact CD2-CG2 3.98Å; L292-I305 HydrophobicContact CG-CB 4.33Å; L292-I305 HydrophobicContact CG-CG2 4Å; I305-A307 HydrophobicContact CG1-CB 4.46Å; I305-A307 HydrophobicContact CG2-CB 4.05Å; I305-A307 PolarHBondContact O-N 2.93Å; I305-D340 HydrophobicContact CD1-CB 4.26Å; I305-F341 HydrophobicContact CD1-CB 4.42Å; I305-M344 HydrophobicContact CD1-CB 4.01Å; I305-M344 HydrophobicContact CD1-CE 4.48Å; I305-M344 HydrophobicContact CD1-CG 4.45Å; I305-M344 HydrophobicContact CD1-SD 3.82Å; I305-M344 HydrophobicContact CG2-CG 4.46Å; I305-M344 HydrophobicContact CG2-SD 4.16Å |
| 306 | N | 98.8 | Very high | 86.1 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 74.8 | 176 | -168.4 | -39.5 | 0 | 0 | 0 | 110.7 | N277 I282 Y304 T330 Q331 R505 | N277-N306 PolarHBondContact OD1-ND2 3.16Å; I282-N306 PolarHBondContact O-ND2 3.2Å; Y304-N306 HydrophobicContact CE1-CB 4.47Å; N306-T330 PolarHBondContact O-OG1 3.37Å; N306-Q331 HydrophobicContact CB-CG 4.07Å; N306-Q331 PolarHBondContact ND2-OE1 2.94Å; N306-Q331 PolarHBondContact O-N 2.68Å; N306-R505 PolarHBondContact OD1-NH1 3.35Å; N306-R505 VanDerWaalsContact OD1-NH1 3.09Å; N306-R505 PolarHBondContact OD1-NH2 3.24Å |
| 307 | A | 98.9 | Very high | 83.8 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 151.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | R289 V290 I305 I328 A329 M344 | R289-A307 VanDerWaalsContact CA-O 3.29Å; R289-A307 WeakPolarHBondContact CA-O 3.46Å; V290-A307 HydrophobicContact CB-CB 4.32Å; V290-A307 HydrophobicContact CG2-CB 3.89Å; V290-A307 PolarHBondContact N-O 3.28Å; I305-A307 HydrophobicContact CG1-CB 4.46Å; I305-A307 HydrophobicContact CG2-CB 4.05Å; I305-A307 PolarHBondContact O-N 2.93Å; A307-I328 HydrophobicContact CB-CG2 3.84Å; A307-A329 CarbonylContact C-O 3.54Å; A307-A329 VanDerWaalsContact CA-O 3.3Å; A307-A329 WeakPolarHBondContact CA-O 3.45Å; A307-M344 HydrophobicContact CB-SD 3.65Å |
| 308 | N | 98.9 | Very high | 81.4 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 141.5 | 172.7 | -66 | 96.1 | 0 | 0 | 0 | 111.1 | P284 F285 T288 R289 I310 I328 A329 Q504 R505 | P284-N308 WeakPolarHBondContact CA-OD1 3.36Å; P284-N308 WeakPolarHBondContact CB-OD1 3.44Å; F285-N308 PolarHBondContact N-ND2 2.6Å; F285-N308 PolarHBondContact O-ND2 3.06Å; T288-N308 CarbonylContact O-C 3.58Å; T288-N308 WeakPolarHBondContact O-CA 3.5Å; T288-N308 PolarHBondContact O-ND2 3.45Å; T288-N308 PolarHBondContact OG1-ND2 2.88Å; R289-N308 PolarHBondContact N-ND2 3.2Å; N308-I310 HydrophobicContact CB-CD1 4.26Å; N308-I328 CarbonylContact O-C 3.49Å; N308-I328 WeakPolarHBondContact O-CA 3.46Å; N308-A329 PolarHBondContact N-O 2.74Å; N308-A329 PolarHBondContact O-N 2.67Å; N308-Q504 WeakPolarHBondContact CB-O 3.33Å; N308-Q504 PolarHBondContact ND2-O 3.46Å; N308-R505 HydrophobicContact CB-CB 4.02Å; N308-R505 HydrophobicContact CB-CG 4.43Å; N308-R505 WeakPolarHBondContact OD1-CG 3.38Å; N308-R505 PolarHBondContact OD1-NH1 3.46Å |
| 309 | I | 98.7 | Very high | 79.1 | Confident | 39 Ų | 39 | 62.3 Ų | 62.3 | 20% | 0.2 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 133.6 | 163.3 | -55 | -56.7 | 0 | 0 | 0 | 108.3 | T288 V290 M311 Y327 I328 | T288-I309 PolarHBondContact O-N 3.06Å; V290-I309 HydrophobicContact CG2-CD1 3.7Å; V290-I309 HydrophobicContact CG2-CG1 4.17Å; I309-M311 HydrophobicContact CG2-CG 3.98Å; I309-Y327 CarbonylContact C-O 3.54Å; I309-Y327 WeakPolarHBondContact CA-O 3.35Å; I309-I328 HydrophobicContact CD1-CD1 3.97Å; I309-I328 HydrophobicContact CD1-CG1 3.73Å |
| 310 | I | 98.1 | Very high | 77 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 120 | 173.6 | -47.5 | -63.7 | 0 | 0 | 0 | 108.4 | N308 Y327 A329 I474 V501 Q504 R505 M508 | N308-I310 HydrophobicContact CB-CD1 4.26Å; I310-Y327 PolarHBondContact N-O 3.47Å; I310-Y327 PolarHBondContact O-N 2.86Å; I310-A329 HydrophobicContact CD1-CB 4.16Å; I310-A329 HydrophobicContact CG1-CB 3.76Å; I310-I474 HydrophobicContact CG1-CD1 4.42Å; I310-I474 HydrophobicContact CG2-CG2 4.21Å; I310-V501 HydrophobicContact CG2-CB 4.39Å; I310-V501 HydrophobicContact CG2-CG1 3.88Å; I310-V501 HydrophobicContact CG2-CG2 4.06Å; I310-Q504 HydrophobicContact CD1-CB 3.7Å; I310-R505 HydrophobicContact CD1-CB 3.89Å; I310-M508 HydrophobicContact CD1-CE 4.46Å; I310-M508 HydrophobicContact CG1-CE 4.48Å |
| 311 | M | 95.2 | Very high | 75.4 | Confident | 70 Ų | 70 | 63.7 Ų | 63.7 | 35% | 0.345 | 34% | 0.336 | S | S | . | . | trans | -109.9 | 133.2 | 179 | -60.6 | -175.2 | -74.7 | 0 | 0 | 110 | I309 E313 Q504 | I309-M311 HydrophobicContact CG2-CG 3.98Å; M311-E313 VanDerWaalsContact C-N 3.26Å; M311-E313 PolarHBondContact O-N 2.66Å; M311-Q504 PolarHBondContact O-NE2 3.46Å | ||
| 312 | P | 86.2 | Confident | 73.8 | Confident | 26 Ų | 26 | 71.8 Ų | 71.8 | 17% | 0.169 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -71 | -12.2 | -175.5 | 25.9 | -33.6 | 0 | 0 | 0 | 115.1 | K324 K325 I478 M500 | P312-K324 HydrophobicContact CG-CB 3.99Å; P312-K324 HydrophobicContact CG-CD 4.39Å; P312-K325 WeakPolarHBondContact CD-O 3.31Å; P312-K325 WeakPolarHBondContact CG-O 3.43Å; P312-I478 HydrophobicContact CB-CD1 4.17Å; P312-I478 HydrophobicContact CB-CG1 4.06Å; P312-I478 HydrophobicContact CB-CG2 4.05Å; P312-M500 VanDerWaalsContact O-CE 3.25Å; P312-M500 WeakPolarHBondContact O-CE 3.47Å |
| 313 | E | 74.3 | Confident | 72.2 | Confident | 81 Ų | 81 | 76.9 Ų | 76.9 | 38% | 0.379 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -148.8 | 143.2 | 173.1 | -92.7 | 162.3 | -164.6 | 0 | 0 | 109.2 | M311 E315 K324 | M311-E313 VanDerWaalsContact C-N 3.26Å; M311-E313 PolarHBondContact O-N 2.66Å; E313-E315 PolarHBondContact O-N 3.21Å; E313-K324 IonicContact OE1-NZ 2.98Å; E313-K324 PolarHBondContact OE1-NZ 3.48Å; E313-K324 IonicContact OE2-NZ 3.48Å; E313-K324 PolarHBondContact OE2-NZ 2.62Å |
| 314 | F | 54.6 | Low | 71.1 | Confident | 147 Ų | 147 | 78.8 Ų | 78.8 | 65% | 0.645 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -74.5 | 108.3 | 165.1 | -114.2 | -93.5 | 0 | 0 | 0 | 106.8 | T316 | F314-T316 PolarHBondContact O-N 2.88Š|
| 315 | E | 42.8 | Very low | 70.6 | Confident | 146 Ų | 146 | 80.1 Ų | 80.1 | 68% | 0.682 | 42% | 0.416 | S | S | * | . | trans | -16.2 | 88.9 | -178.5 | -64.8 | -176.9 | 176.4 | 0 | 0 | 116 | E313 K317 | E313-E315 PolarHBondContact O-N 3.21Å; E315-K317 PolarHBondContact O-N 2.99Å | ||
| 316 | T | 39.1 | Very low | 70.4 | Confident | 103 Ų | 103 | 81.4 Ų | 81.4 | 63% | 0.632 | 43% | 0.425 | S | S | * | . | trans | -81.7 | 99.3 | 146.9 | 34.2 | 0 | 0 | 0 | 0 | 106 | F314 C318 | F314-T316 PolarHBondContact O-N 2.88Å; T316-C318 PolarHBondContact O-N 2.99Å | ||
| 317 | K | 38.7 | Very low | 70.4 | Confident | 167 Ų | 167 | 81.4 Ų | 81.4 | 73% | 0.726 | 43% | 0.425 | S | S | * | . | trans | -58.5 | 80.1 | 171.8 | -68.8 | -179.6 | 178 | 178.9 | 0 | 110.1 | E315 | E315-K317 PolarHBondContact O-N 2.99Š| ||
| 318 | C | 38.5 | Very low | 70.4 | Confident | 89 Ų | 89 | 81.4 Ų | 81.4 | 60% | 0.601 | 43% | 0.425 | S | S | * | . | trans | -86.9 | 104.8 | 159 | -68.3 | 0 | 0 | 0 | 0 | 105.7 | T316 N320 S321 | T316-C318 PolarHBondContact O-N 2.99Å; C318-N320 PolarHBondContact O-N 2.88Å; C318-S321 PolarHBondContact O-N 3.26Å | ||
| 319 | N | 41.6 | Very low | 70.4 | Confident | 152 Ų | 152 | 81.4 Ų | 81.4 | 81% | 0.813 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | 8.8 | -169.7 | -79 | -16.7 | 0 | 0 | 0 | 116.6 | ||
| 320 | N | 43.5 | Very low | 70.4 | Confident | 166 Ų | 166 | 79.7 Ų | 79.7 | 89% | 0.888 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.6 | 4.1 | -173.5 | -78.4 | -13.2 | 0 | 0 | 0 | 115.6 | C318 | C318-N320 PolarHBondContact O-N 2.88Š|
| 321 | S | 53.8 | Low | 70.5 | Confident | 75 Ų | 75 | 80 Ų | 80 | 52% | 0.524 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -90.3 | 137.8 | 177 | 60.6 | 0 | 0 | 0 | 0 | 111.8 | C318 | C318-S321 PolarHBondContact O-N 3.26Š|
| 322 | K | 57.5 | Low | 70.6 | Confident | 178 Ų | 178 | 76.7 Ų | 76.7 | 77% | 0.774 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -49.8 | 141.7 | 168.3 | -72.3 | -177.8 | 179 | 179.9 | 0 | 109.8 | K324 | K322-K324 PolarHBondContact O-N 3.36Å; K322-K324 VanDerWaalsContact O-N 3.13Å |
| 323 | P | 61.7 | Low | 71.2 | Confident | 131 Ų | 131 | 75.6 Ų | 75.6 | 85% | 0.851 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -57 | 121.3 | 175.7 | 20.9 | -29.4 | 0 | 0 | 0 | 109.5 | ||
| 324 | K | 74.6 | Confident | 72.4 | Confident | 75 Ų | 75 | 73.1 Ų | 73.1 | 33% | 0.326 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 146.8 | 177.9 | -75.8 | -177.2 | 176.6 | 171.4 | 0 | 110.3 | P312 E313 K322 S326 | P312-K324 HydrophobicContact CG-CB 3.99Å; P312-K324 HydrophobicContact CG-CD 4.39Å; E313-K324 IonicContact OE1-NZ 2.98Å; E313-K324 PolarHBondContact OE1-NZ 3.48Å; E313-K324 IonicContact OE2-NZ 3.48Å; E313-K324 PolarHBondContact OE2-NZ 2.62Å; K322-K324 PolarHBondContact O-N 3.36Å; K322-K324 VanDerWaalsContact O-N 3.13Å; K324-S326 PolarHBondContact O-N 2.91Å |
| 325 | K | 88.1 | Confident | 74.5 | Confident | 29 Ų | 29 | 73.4 Ų | 73.4 | 13% | 0.126 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -54.3 | 124.2 | 174.6 | -172.1 | 175.6 | 72.2 | -157 | 0 | 110.3 | P312 Y327 H447 Q450 V459 D477 D481 | P312-K325 WeakPolarHBondContact CD-O 3.31Å; P312-K325 WeakPolarHBondContact CG-O 3.43Å; K325-Y327 HydrophobicContact CD-CE1 4.46Å; K325-Y327 WeakPolarHBondContact CE-OH 3.35Å; K325-Y327 HydrophobicContact CG-CE1 4.43Å; K325-H447 PolarHBondContact NZ-ND1 3.28Å; K325-Q450 HydrophobicContact CD-CG 4.01Å; K325-Q450 HydrophobicContact CG-CG 4.22Å; K325-V459 HydrophobicContact CD-CG2 4.18Å; K325-V459 HydrophobicContact CG-CG2 4.21Å; K325-D477 WeakPolarHBondContact CE-OD2 3.31Å; K325-D477 IonicContact NZ-OD1 3.78Å; K325-D477 PolarHBondContact NZ-OD1 2.79Å; K325-D477 IonicContact NZ-OD2 2.84Å; K325-D477 PolarHBondContact NZ-OD2 3.42Å; K325-D481 WeakPolarHBondContact CE-OD2 3.4Å; K325-D481 IonicContact NZ-OD1 3.03Å; K325-D481 PolarHBondContact NZ-OD1 2.9Å; K325-D481 IonicContact NZ-OD2 3.91Å; K325-D481 PolarHBondContact NZ-OD2 3Å |
| 326 | S | 95.6 | Very high | 77.1 | Confident | 35 Ų | 35 | 70.2 Ų | 70.2 | 25% | 0.245 | 37% | 0.374 | C | S | . | . | trans | -109.7 | 166.8 | 175 | 57.5 | 0 | 0 | 0 | 0 | 110.7 | K324 P458 V459 | K324-S326 PolarHBondContact O-N 2.91Å; S326-P458 CarbonylContact O-C 3.55Å; S326-P458 VanDerWaalsContact O-CA 3.23Å; S326-P458 WeakPolarHBondContact O-CA 3.47Å; S326-P458 WeakPolarHBondContact O-CB 3.46Å; S326-P458 WeakPolarHBondContact OG-CB 3.49Å; S326-V459 PolarHBondContact O-N 2.82Å | ||
| 327 | Y | 98.7 | Very high | 80 | Confident | 1 Ų | 1 | 65.6 Ų | 65.6 | 0% | 0.004 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 159.5 | -173.5 | -45.1 | -94 | 0 | 0 | 0 | 112 | I309 I310 K325 V459 V461 I474 D477 I478 | I309-Y327 CarbonylContact C-O 3.54Å; I309-Y327 WeakPolarHBondContact CA-O 3.35Å; I310-Y327 PolarHBondContact N-O 3.47Å; I310-Y327 PolarHBondContact O-N 2.86Å; K325-Y327 HydrophobicContact CD-CE1 4.46Å; K325-Y327 WeakPolarHBondContact CE-OH 3.35Å; K325-Y327 HydrophobicContact CG-CE1 4.43Å; Y327-V459 CarbonylContact C-O 3.51Å; Y327-V459 VanDerWaalsContact CA-O 3.26Å; Y327-V459 WeakPolarHBondContact CA-O 3.26Å; Y327-V459 HydrophobicContact CD1-CB 4.16Å; Y327-V461 HydrophobicContact CD1-CG2 4.29Å; Y327-I474 HydrophobicContact CD1-CG1 4.08Å; Y327-I474 HydrophobicContact CD2-CG2 3.9Å; Y327-I474 HydrophobicContact CE2-CG2 4.14Å; Y327-I474 HydrophobicContact CG-CD1 4.33Å; Y327-I474 HydrophobicContact CG-CG1 4.14Å; Y327-I474 HydrophobicContact CG-CG2 4.11Å; Y327-D477 HydrophobicContact CE1-CB 4.46Å; Y327-D477 WeakPolarHBondContact CE1-OD2 3.29Å; Y327-D477 PolarHBondContact OH-OD2 3.18Å; Y327-D477 VanDerWaalsContact OH-OD2 3.09Å; Y327-I478 HydrophobicContact CE2-CD1 4.02Å; Y327-I478 HydrophobicContact CE2-CG1 3.67Å |
| 328 | I | 98.9 | Very high | 82.8 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 112.3 | 163 | -57.6 | -173.8 | 0 | 0 | 0 | 108 | V290 A307 N308 I309 M344 E348 P458 V459 V460 V461 | V290-I328 HydrophobicContact CG2-CD1 4.35Å; V290-I328 HydrophobicContact CG2-CG2 3.98Å; A307-I328 HydrophobicContact CB-CG2 3.84Å; N308-I328 CarbonylContact O-C 3.49Å; N308-I328 WeakPolarHBondContact O-CA 3.46Å; I309-I328 HydrophobicContact CD1-CD1 3.97Å; I309-I328 HydrophobicContact CD1-CG1 3.73Å; I328-M344 HydrophobicContact CD1-CG 4.38Å; I328-M344 HydrophobicContact CD1-SD 4.45Å; I328-M344 HydrophobicContact CG2-CE 4.06Å; I328-M344 HydrophobicContact CG2-SD 3.73Å; I328-E348 HydrophobicContact CD1-CB 3.83Å; I328-E348 HydrophobicContact CD1-CG 3.66Å; I328-P458 HydrophobicContact CD1-CB 4.44Å; I328-P458 HydrophobicContact CD1-CG 3.67Å; I328-P458 HydrophobicContact CG1-CB 3.88Å; I328-P458 HydrophobicContact CG1-CG 3.63Å; I328-V459 PolarHBondContact N-O 2.87Å; I328-V460 HydrophobicContact CB-CG2 4.18Å; I328-V460 HydrophobicContact CD1-CG2 4.23Å; I328-V460 HydrophobicContact CG1-CG2 4.48Å; I328-V461 PolarHBondContact O-N 2.97Å |
| 329 | A | 98.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 117.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | A307 N308 I310 T470 I474 M508 | A307-A329 CarbonylContact C-O 3.54Å; A307-A329 VanDerWaalsContact CA-O 3.3Å; A307-A329 WeakPolarHBondContact CA-O 3.45Å; N308-A329 PolarHBondContact N-O 2.74Å; N308-A329 PolarHBondContact O-N 2.67Å; I310-A329 HydrophobicContact CD1-CB 4.16Å; I310-A329 HydrophobicContact CG1-CB 3.76Å; A329-T470 HydrophobicContact CB-CG2 3.77Å; A329-I474 HydrophobicContact CB-CD1 4Å; A329-M508 HydrophobicContact CB-CE 3.9Å; A329-M508 HydrophobicContact CB-SD 4.37Å |
| 330 | T | 98.9 | Very high | 88.4 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.012 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 161.5 | -177 | -170.2 | 0 | 0 | 0 | 0 | 112.6 | N306 F341 M344 V460 V461 H462 G466 | N306-T330 PolarHBondContact O-OG1 3.37Å; T330-F341 HydrophobicContact CG2-CE2 4.13Å; T330-M344 HydrophobicContact CG2-CE 4.29Å; T330-V460 HydrophobicContact CG2-CG1 3.87Å; T330-V461 PolarHBondContact N-O 3.34Å; T330-V461 VanDerWaalsContact N-O 3.09Å; T330-H462 HydrophobicContact CG2-CB 3.57Å; T330-H462 WeakPolarHBondContact O-CA 3.33Å; T330-H462 WeakPolarHBondContact O-CB 3.07Å; T330-G466 WeakPolarHBondContact O-CA 3.47Å |
| 331 | Q | 98.8 | Very high | 91 | Very high | 8 Ų | 8 | 42.8 Ų | 42.8 | 4% | 0.037 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -74.8 | 163.7 | 175 | 72.4 | 177.4 | 20.9 | 0 | 0 | 111.9 | K276 N306 C333 S464 | K276-Q331 PolarHBondContact O-NE2 2.87Å; N306-Q331 HydrophobicContact CB-CG 4.07Å; N306-Q331 PolarHBondContact ND2-OE1 2.94Å; N306-Q331 PolarHBondContact O-N 2.68Å; Q331-C333 PolarHBondContact O-N 3.16Å; Q331-S464 WeakPolarHBondContact CB-O 3.49Å |
| 332 | G | 98.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -65.3 | 130.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | R278 C463 S464 | R278-G332 PolarHBondContact NE-O 2.87Å; G332-C463 WeakPolarHBondContact CA-O 3.36Å; G332-C463 PolarHBondContact N-O 2.76Å; G332-C463 VanDerWaalsContact N-O 3.1Å; G332-S464 PolarHBondContact N-O 2.82Å |
| 333 | C | 98.8 | Very high | 95.1 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.014 | 17% | 0.169 | C | C | . | . | P | Polyproline II helix | trans | -50.9 | 139.6 | -175.1 | -73.3 | 0 | 0 | 0 | 0 | 112.4 | R278 Q331 V338 F341 C367 V368 Y370 | R278-C333 PolarHBondContact NH2-O 2.86Å; Q331-C333 PolarHBondContact O-N 3.16Å; C333-V338 HydrophobicContact CB-CG2 4.3Å; C333-F341 WeakPolarHBondContact SG-CG 3.44Å; C333-C367 PolarHBondContact N-SG 3.29Å; C333-V368 HydrophobicContact CB-CG2 3.87Å; C333-V368 WeakPolarHBondContact O-CG2 3.39Å; C333-V368 PolarHBondContact O-N 3.09Å; C333-Y370 HydrophobicContact CB-CD1 4.23Å |
| 334 | L | 98.7 | Very high | 96.9 | Very high | 30 Ų | 30 | 25.7 Ų | 25.7 | 16% | 0.157 | 13% | 0.128 | C | C | . | . | P | Polyproline II helix | trans | -95.7 | 162.8 | 164.2 | -61.9 | 171 | 0 | 0 | 0 | 109.2 | R278 N336 T337 V338 | R278-L334 HydrophobicContact CB-CD1 4.44Å; R278-L334 HydrophobicContact CB-CD2 4Å; R278-L334 HydrophobicContact CB-CG 4.31Å; R278-L334 HydrophobicContact CG-CD2 4.16Å; L334-N336 VanDerWaalsContact CB-OD1 3.25Å; L334-N336 WeakPolarHBondContact CB-OD1 3.4Å; L334-N336 PolarHBondContact O-N 3.02Å; L334-T337 HydrophobicContact CB-CG2 4.12Å; L334-T337 HydrophobicContact CD1-CG2 4.27Å; L334-T337 PolarHBondContact N-OG1 2.94Å; L334-T337 PolarHBondContact O-N 3.3Å; L334-T337 PolarHBondContact O-OG1 2.92Å; L334-V338 WeakPolarHBondContact O-CG2 3.48Å; L334-V338 PolarHBondContact O-N 3.02Å |
| 335 | Q | 98.4 | Very high | 98 | Very high | 152 Ų | 152 | 22.1 Ų | 22.1 | 71% | 0.71 | 11% | 0.113 | S | C | * | . | G | 310 helix | trans | -54.8 | -40.6 | 178.9 | -170 | 62.5 | 35.8 | 0 | 0 | 112.4 | ||
| 336 | N | 98.1 | Very high | 98.5 | Very high | 79 Ų | 79 | 22.5 Ų | 22.5 | 42% | 0.422 | 12% | 0.115 | S | C | . | . | G | 310 helix | trans | -84.3 | -2.2 | -179.7 | 63.1 | -45.5 | 0 | 0 | 0 | 114.3 | N275 L334 | N275-N336 PolarHBondContact O-ND2 3.24Å; L334-N336 VanDerWaalsContact CB-OD1 3.25Å; L334-N336 WeakPolarHBondContact CB-OD1 3.4Å; L334-N336 PolarHBondContact O-N 3.02Å |
| 337 | T | 98.6 | Very high | 98.6 | Very high | 7 Ų | 7 | 23.5 Ų | 23.5 | 4% | 0.043 | 12% | 0.115 | C | C | . | . | G | 310 helix | trans | -117 | 3.9 | -179.8 | 71.9 | 0 | 0 | 0 | 0 | 113.1 | K276 L334 N339 D340 F341 | K276-T337 HydrophobicContact CB-CG2 3.97Å; K276-T337 HydrophobicContact CG-CG2 4.27Å; L334-T337 HydrophobicContact CB-CG2 4.12Å; L334-T337 HydrophobicContact CD1-CG2 4.27Å; L334-T337 PolarHBondContact N-OG1 2.94Å; L334-T337 PolarHBondContact O-N 3.3Å; L334-T337 PolarHBondContact O-OG1 2.92Å; T337-N339 VanDerWaalsContact C-N 3.3Å; T337-N339 PolarHBondContact O-N 2.8Å; T337-D340 PolarHBondContact O-N 3.43Å; T337-F341 WeakPolarHBondContact O-CB 3.24Å; T337-F341 PolarHBondContact O-N 3.21Å |
| 338 | V | 98.8 | Very high | 98.6 | Very high | 6 Ų | 6 | 25.9 Ų | 25.9 | 4% | 0.036 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.7 | -41 | 177.9 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | C333 L334 F341 W342 V368 Y380 | C333-V338 HydrophobicContact CB-CG2 4.3Å; L334-V338 WeakPolarHBondContact O-CG2 3.48Å; L334-V338 PolarHBondContact O-N 3.02Å; V338-F341 WeakPolarHBondContact O-CB 3.44Å; V338-F341 PolarHBondContact O-N 3.4Å; V338-W342 PolarHBondContact O-N 3.28Å; V338-V368 HydrophobicContact CG2-CG2 3.57Å; V338-Y380 HydrophobicContact CG1-CD1 3.33Å; V338-Y380 HydrophobicContact CG1-CE1 3.64Å; V338-Y380 HydrophobicContact CG1-CG 4.03Å |
| 339 | N | 98.4 | Very high | 98.5 | Very high | 74 Ų | 74 | 28.1 Ų | 28.1 | 40% | 0.396 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -66.7 | -44.9 | 179.1 | -61.2 | -6.7 | 0 | 0 | 0 | 110.8 | T337 F341 W342 R343 Y380 G381 | T337-N339 VanDerWaalsContact C-N 3.3Å; T337-N339 PolarHBondContact O-N 2.8Å; N339-F341 VanDerWaalsContact C-N 3.29Å; N339-F341 PolarHBondContact O-N 3.48Å; N339-W342 PolarHBondContact O-N 3.42Å; N339-R343 WeakPolarHBondContact O-CG 3.42Å; N339-R343 PolarHBondContact O-N 2.72Å; N339-Y380 VanDerWaalsContact OD1-C 3.27Å; N339-Y380 WeakPolarHBondContact OD1-CA 3.42Å; N339-G381 PolarHBondContact OD1-N 2.71Å |
| 340 | D | 98.7 | Very high | 98.5 | Very high | 13 Ų | 13 | 28.1 Ų | 28.1 | 7% | 0.07 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.7 | -38.1 | 175.8 | -70.2 | -25.8 | 0 | 0 | 0 | 112 | K276 L292 I305 T337 R343 M344 | K276-D340 IonicContact NZ-OD2 3.97Å; L292-D340 HydrophobicContact CD1-CB 3.78Å; I305-D340 HydrophobicContact CD1-CB 4.26Å; T337-D340 PolarHBondContact O-N 3.43Å; D340-R343 WeakPolarHBondContact O-CB 3.44Å; D340-R343 PolarHBondContact O-N 2.77Å; D340-R343 IonicContact OD1-CZ 3.74Å; D340-R343 IonicContact OD1-NH1 2.85Å; D340-R343 PolarHBondContact OD1-NH1 3.02Å; D340-M344 WeakPolarHBondContact O-CB 3.05Å; D340-M344 PolarHBondContact O-N 2.98Å |
| 341 | F | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 0% | 0.004 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.9 | -46 | 174.9 | 178.3 | -92.3 | 0 | 0 | 0 | 111.9 | I305 T330 C333 T337 V338 N339 M344 V345 I353 Y370 V460 | I305-F341 HydrophobicContact CD1-CB 4.42Å; T330-F341 HydrophobicContact CG2-CE2 4.13Å; C333-F341 WeakPolarHBondContact SG-CG 3.44Å; T337-F341 WeakPolarHBondContact O-CB 3.24Å; T337-F341 PolarHBondContact O-N 3.21Å; V338-F341 WeakPolarHBondContact O-CB 3.44Å; V338-F341 PolarHBondContact O-N 3.4Å; N339-F341 VanDerWaalsContact C-N 3.29Å; N339-F341 PolarHBondContact O-N 3.48Å; F341-M344 HydrophobicContact CD2-CE 3.93Å; F341-M344 HydrophobicContact CE2-CE 3.97Å; F341-M344 WeakPolarHBondContact O-CB 3.45Å; F341-M344 PolarHBondContact O-N 3.29Å; F341-V345 HydrophobicContact CD1-CG2 4.13Å; F341-V345 HydrophobicContact CE1-CG2 3.7Å; F341-V345 HydrophobicContact CE2-CG2 4.49Å; F341-V345 HydrophobicContact CZ-CG2 3.9Å; F341-V345 WeakPolarHBondContact O-CG2 3.09Å; F341-V345 PolarHBondContact O-N 3.45Å; F341-I353 HydrophobicContact CE1-CD1 3.98Å; F341-I353 HydrophobicContact CZ-CD1 4.02Å; F341-I353 HydrophobicContact CZ-CG2 4.14Å; F341-Y370 AromaticContact CD1-CD2 3.94Å; F341-Y370 HydrophobicContact CD1-CD2 3.94Å; F341-Y370 HydrophobicContact CD1-CE2 4.27Å; F341-Y370 HydrophobicContact CD1-CG 4.36Å; F341-Y370 AromaticContact CE1-CD2 3.6Å; F341-Y370 HydrophobicContact CE1-CD2 3.6Å; F341-Y370 AromaticContact CE1-CE2 3.47Å; F341-Y370 HydrophobicContact CE1-CE2 3.47Å; F341-Y370 VanDerWaalsContact CE1-CE2 3.47Å; F341-Y370 HydrophobicContact CE1-CG 4.32Å; F341-Y370 HydrophobicContact CZ-CD2 4.41Å; F341-Y370 AromaticContact CZ-CE2 3.94Å; F341-Y370 HydrophobicContact CZ-CE2 3.94Å; F341-V460 HydrophobicContact CE2-CG1 3.89Å; F341-V460 HydrophobicContact CZ-CG1 4.15Å |
| 342 | W | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -70.5 | -31.5 | 177.5 | -74.9 | 117 | 0 | 0 | 0 | 113.1 | V338 N339 V345 F346 I353 Y370 Y380 M383 V385 L401 L403 | V338-W342 PolarHBondContact O-N 3.28Å; N339-W342 PolarHBondContact O-N 3.42Å; W342-V345 HydrophobicContact CE3-CB 4.11Å; W342-V345 HydrophobicContact CE3-CG1 4.18Å; W342-V345 HydrophobicContact CE3-CG2 4.35Å; W342-V345 HydrophobicContact CZ3-CB 4.47Å; W342-V345 HydrophobicContact CZ3-CG1 4.12Å; W342-F346 VanDerWaalsContact O-CB 3.28Å; W342-F346 WeakPolarHBondContact O-CB 3.2Å; W342-F346 PolarHBondContact O-N 3.12Å; W342-I353 HydrophobicContact CH2-CD1 4.15Å; W342-I353 HydrophobicContact CZ3-CD1 4.15Å; W342-Y370 HydrophobicContact CH2-CD2 4.5Å; W342-Y370 AromaticContact CZ2-CD2 3.69Å; W342-Y370 HydrophobicContact CZ2-CD2 3.69Å; W342-Y370 HydrophobicContact CZ2-CE2 4.16Å; W342-Y370 WeakPolarHBondContact CZ2-O 3.36Å; W342-Y370 PolarHBondContact NE1-O 3.48Å; W342-Y380 AromaticContact CD1-CD2 3.56Å; W342-Y380 AromaticContact CD1-CG 3.64Å; W342-Y380 HydrophobicContact CG-CD2 4.42Å; W342-Y380 AromaticContact NE1-CD2 3.51Å; W342-Y380 AromaticContact NE1-CE2 3.7Å; W342-Y380 AromaticContact NE1-CG 3.94Å; W342-M383 HydrophobicContact CB-CB 3.8Å; W342-M383 HydrophobicContact CB-CG 3.92Å; W342-V385 HydrophobicContact CD2-CG2 3.72Å; W342-V385 HydrophobicContact CE3-CG2 3.97Å; W342-V385 HydrophobicContact CG-CG2 4.25Å; W342-V385 HydrophobicContact CH2-CG1 4.06Å; W342-V385 HydrophobicContact CH2-CG2 4.1Å; W342-V385 HydrophobicContact CZ2-CB 4.45Å; W342-V385 HydrophobicContact CZ2-CG1 3.98Å; W342-V385 HydrophobicContact CZ2-CG2 3.85Å; W342-V385 HydrophobicContact CZ3-CG2 4.15Å; W342-L401 HydrophobicContact CH2-CD1 3.74Å; W342-L401 HydrophobicContact CZ2-CD1 4.33Å; W342-L403 HydrophobicContact CE3-CD1 3.87Å; W342-L403 HydrophobicContact CE3-CD2 4.06Å; W342-L403 HydrophobicContact CE3-CG 4.5Å; W342-L403 HydrophobicContact CZ3-CD1 4.41Å; W342-L403 HydrophobicContact CZ3-CD2 4.29Å |
| 343 | R | 98.3 | Very high | 98.5 | Very high | 25 Ų | 25 | 30 Ų | 30 | 9% | 0.094 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.9 | -47.7 | 169.3 | -72.1 | 170.9 | 61.4 | -143.3 | -1.2 | 111.3 | H293 G295 S302 N339 D340 F346 Q347 M383 | H293-R343 PolarHBondContact O-NH2 3.32Å; G295-R343 VanDerWaalsContact CA-NH2 3.26Å; S302-R343 PolarHBondContact O-NH1 3.31Å; S302-R343 PolarHBondContact O-NH2 2.94Å; N339-R343 WeakPolarHBondContact O-CG 3.42Å; N339-R343 PolarHBondContact O-N 2.72Å; D340-R343 WeakPolarHBondContact O-CB 3.44Å; D340-R343 PolarHBondContact O-N 2.77Å; D340-R343 IonicContact OD1-CZ 3.74Å; D340-R343 IonicContact OD1-NH1 2.85Å; D340-R343 PolarHBondContact OD1-NH1 3.02Å; R343-F346 PolarHBondContact O-N 3.34Å; R343-Q347 VanDerWaalsContact O-CB 3.3Å; R343-Q347 WeakPolarHBondContact O-CB 3.38Å; R343-Q347 PolarHBondContact O-N 3.38Å; R343-M383 HydrophobicContact CG-CE 4.25Å |
| 344 | M | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.5 | -54.3 | 175.6 | -173.7 | -169.4 | 68.9 | 0 | 0 | 111.2 | V290 L292 I305 A307 I328 T330 D340 F341 F346 Q347 E348 V460 | V290-M344 HydrophobicContact CB-CG 4.42Å; V290-M344 HydrophobicContact CG1-CG 3.85Å; V290-M344 HydrophobicContact CG2-SD 4.37Å; L292-M344 HydrophobicContact CD2-CB 3.73Å; L292-M344 HydrophobicContact CD2-CG 4.29Å; I305-M344 HydrophobicContact CD1-CB 4.01Å; I305-M344 HydrophobicContact CD1-CE 4.48Å; I305-M344 HydrophobicContact CD1-CG 4.45Å; I305-M344 HydrophobicContact CD1-SD 3.82Å; I305-M344 HydrophobicContact CG2-CG 4.46Å; I305-M344 HydrophobicContact CG2-SD 4.16Å; A307-M344 HydrophobicContact CB-SD 3.65Å; I328-M344 HydrophobicContact CD1-CG 4.38Å; I328-M344 HydrophobicContact CD1-SD 4.45Å; I328-M344 HydrophobicContact CG2-CE 4.06Å; I328-M344 HydrophobicContact CG2-SD 3.73Å; T330-M344 HydrophobicContact CG2-CE 4.29Å; D340-M344 WeakPolarHBondContact O-CB 3.05Å; D340-M344 PolarHBondContact O-N 2.98Å; F341-M344 HydrophobicContact CD2-CE 3.93Å; F341-M344 HydrophobicContact CE2-CE 3.97Å; F341-M344 WeakPolarHBondContact O-CB 3.45Å; F341-M344 PolarHBondContact O-N 3.29Å; M344-F346 VanDerWaalsContact C-N 3.3Å; M344-F346 PolarHBondContact O-N 2.95Å; M344-Q347 PolarHBondContact O-N 3.4Å; M344-E348 HydrophobicContact CG-CG 4.44Å; M344-E348 WeakPolarHBondContact O-CB 3.31Å; M344-E348 WeakPolarHBondContact O-CG 3.47Å; M344-E348 PolarHBondContact O-N 3.38Å; M344-V460 HydrophobicContact CE-CG1 3.83Å; M344-V460 HydrophobicContact CE-CG2 4.14Å |
| 345 | V | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -54.5 | -51.9 | 179.3 | 172.3 | 0 | 0 | 0 | 0 | 109 | F341 W342 N349 S350 I353 L403 R417 V419 V460 | F341-V345 HydrophobicContact CD1-CG2 4.13Å; F341-V345 HydrophobicContact CE1-CG2 3.7Å; F341-V345 HydrophobicContact CE2-CG2 4.49Å; F341-V345 HydrophobicContact CZ-CG2 3.9Å; F341-V345 WeakPolarHBondContact O-CG2 3.09Å; F341-V345 PolarHBondContact O-N 3.45Å; W342-V345 HydrophobicContact CE3-CB 4.11Å; W342-V345 HydrophobicContact CE3-CG1 4.18Å; W342-V345 HydrophobicContact CE3-CG2 4.35Å; W342-V345 HydrophobicContact CZ3-CB 4.47Å; W342-V345 HydrophobicContact CZ3-CG1 4.12Å; V345-N349 PolarHBondContact O-N 3.1Å; V345-S350 PolarHBondContact O-N 3.18Å; V345-I353 HydrophobicContact CG1-CD1 4.45Å; V345-I353 HydrophobicContact CG2-CD1 4.06Å; V345-L403 HydrophobicContact CB-CD2 4.42Å; V345-L403 HydrophobicContact CG1-CD2 3.76Å; V345-R417 VanDerWaalsContact C-NH2 3.26Å; V345-R417 PolarHBondContact O-NH2 3.19Å; V345-V419 HydrophobicContact CG1-CG1 4.37Å; V345-V419 HydrophobicContact CG1-CG2 4.24Å; V345-V460 HydrophobicContact CG2-CG2 4.32Å |
| 346 | F | 98.3 | Very high | 98.5 | Very high | 38 Ų | 38 | 21.3 Ų | 21.3 | 17% | 0.167 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -56.4 | -55.3 | 179.8 | -169.7 | -93 | 0 | 0 | 0 | 112.4 | W342 R343 M344 E348 N349 M383 L403 K405 R417 | W342-F346 VanDerWaalsContact O-CB 3.28Å; W342-F346 WeakPolarHBondContact O-CB 3.2Å; W342-F346 PolarHBondContact O-N 3.12Å; R343-F346 PolarHBondContact O-N 3.34Å; M344-F346 VanDerWaalsContact C-N 3.3Å; M344-F346 PolarHBondContact O-N 2.95Å; F346-E348 PolarHBondContact O-N 3.4Å; F346-N349 PolarHBondContact O-N 3.45Å; F346-M383 HydrophobicContact CB-CE 3.56Å; F346-M383 HydrophobicContact CB-SD 3.79Å; F346-M383 HydrophobicContact CD1-CE 3.69Å; F346-M383 HydrophobicContact CD1-SD 4.34Å; F346-M383 HydrophobicContact CD2-CE 4.36Å; F346-M383 HydrophobicContact CD2-SD 3.94Å; F346-M383 HydrophobicContact CE1-CE 4.49Å; F346-M383 HydrophobicContact CG-CE 3.6Å; F346-M383 HydrophobicContact CG-SD 3.75Å; F346-L403 HydrophobicContact CB-CD2 4.09Å; F346-L403 HydrophobicContact CD2-CD2 4.08Å; F346-L403 HydrophobicContact CD2-CG 4.09Å; F346-K405 HydrophobicContact CE1-CD 4.27Å; F346-K405 HydrophobicContact CE2-CB 4.2Å; F346-K405 HydrophobicContact CZ-CB 3.99Å; F346-K405 HydrophobicContact CZ-CD 4.46Å; F346-R417 PolarHBondContact O-NH1 3.46Å; F346-R417 PolarHBondContact O-NH2 2.92Å |
| 347 | Q | 97.9 | Very high | 98.5 | Very high | 55 Ų | 55 | 17.6 Ų | 17.6 | 26% | 0.257 | 8% | 0.084 | S | C | . | . | H | α-helix | trans | -56.5 | -48.2 | -177.7 | 178 | 180 | -65 | 0 | 0 | 112.3 | V291 H293 R343 M344 N349 | V291-Q347 PolarHBondContact O-NE2 2.64Å; H293-Q347 PolarHBondContact CD2-OE1 3.44Å; R343-Q347 VanDerWaalsContact O-CB 3.3Å; R343-Q347 WeakPolarHBondContact O-CB 3.38Å; R343-Q347 PolarHBondContact O-N 3.38Å; M344-Q347 PolarHBondContact O-N 3.4Å; Q347-N349 PolarHBondContact O-N 3.37Å; Q347-N349 VanDerWaalsContact O-N 3.1Å |
| 348 | E | 98.1 | Very high | 98.4 | Very high | 52 Ų | 52 | 21.3 Ų | 21.3 | 24% | 0.243 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 4.8 | -173.9 | -59.7 | -57.8 | 133.3 | 0 | 0 | 112.7 | V290 I328 M344 F346 S350 G457 P458 | V290-E348 HydrophobicContact CG1-CG 4.15Å; I328-E348 HydrophobicContact CD1-CB 3.83Å; I328-E348 HydrophobicContact CD1-CG 3.66Å; M344-E348 HydrophobicContact CG-CG 4.44Å; M344-E348 WeakPolarHBondContact O-CB 3.31Å; M344-E348 WeakPolarHBondContact O-CG 3.47Å; M344-E348 PolarHBondContact O-N 3.38Å; F346-E348 PolarHBondContact O-N 3.4Å; E348-S350 PolarHBondContact O-N 3.01Å; E348-G457 WeakPolarHBondContact O-CA 3.36Å; E348-P458 HydrophobicContact CB-CG 4.2Å; E348-P458 WeakPolarHBondContact O-CD 3.4Å |
| 349 | N | 97.6 | Very high | 98.3 | Very high | 47 Ų | 47 | 24.3 Ų | 24.3 | 25% | 0.251 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 24.6 | -175.5 | -167.2 | 33.1 | 0 | 0 | 0 | 113.6 | V345 F346 Q347 R351 D455 G457 | V345-N349 PolarHBondContact O-N 3.1Å; F346-N349 PolarHBondContact O-N 3.45Å; Q347-N349 PolarHBondContact O-N 3.37Å; Q347-N349 VanDerWaalsContact O-N 3.1Å; N349-R351 PolarHBondContact ND2-NH2 3.14Å; N349-R351 WeakPolarHBondContact O-CD 3.19Å; N349-R351 WeakPolarHBondContact O-CG 3.49Å; N349-R351 PolarHBondContact O-N 3.26Å; N349-R351 PolarHBondContact O-NE 3.13Å; N349-R351 VanDerWaalsContact OD1-CZ 3.23Å; N349-R351 PolarHBondContact OD1-NE 2.92Å; N349-R351 PolarHBondContact OD1-NH2 3.26Å; N349-D455 PolarHBondContact ND2-O 2.8Å; N349-G457 PolarHBondContact O-N 2.98Å |
| 350 | S | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | trans | -62.4 | 133.6 | 179.3 | -65.4 | 0 | 0 | 0 | 0 | 110.9 | V345 E348 R417 P458 V460 | V345-S350 PolarHBondContact O-N 3.18Å; E348-S350 PolarHBondContact O-N 3.01Å; S350-R417 PolarHBondContact O-NH2 2.72Å; S350-P458 VanDerWaalsContact CB-O 3.26Å; S350-P458 WeakPolarHBondContact CB-O 3.49Å; S350-P458 PolarHBondContact OG-O 2.74Å; S350-V460 WeakPolarHBondContact OG-CG2 3.39Å | ||
| 351 | R | 98.7 | Very high | 98 | Very high | 49 Ų | 49 | 24.3 Ų | 24.3 | 19% | 0.185 | 12% | 0.116 | C | C | . | . | trans | -115.6 | -15.7 | -176.3 | -53 | -57.4 | -175.5 | 81.6 | 1.7 | 113.4 | N349 V419 W420 I453 A456 | N349-R351 PolarHBondContact ND2-NH2 3.14Å; N349-R351 WeakPolarHBondContact O-CD 3.19Å; N349-R351 WeakPolarHBondContact O-CG 3.49Å; N349-R351 PolarHBondContact O-N 3.26Å; N349-R351 PolarHBondContact O-NE 3.13Å; N349-R351 VanDerWaalsContact OD1-CZ 3.23Å; N349-R351 PolarHBondContact OD1-NE 2.92Å; N349-R351 PolarHBondContact OD1-NH2 3.26Å; R351-V419 CarbonylContact O-C 3.51Å; R351-V419 WeakPolarHBondContact O-CA 3.4Å; R351-W420 PolarHBondContact O-N 3.09Å; R351-I453 HydrophobicContact CB-CD1 3.84Å; R351-I453 HydrophobicContact CB-CG2 4.32Å; R351-I453 HydrophobicContact CG-CG2 3.94Å; R351-A456 HydrophobicContact CB-CB 4.04Å; R351-A456 HydrophobicContact CG-CB 3.63Å | ||
| 352 | V | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 132.2 | 178.9 | -176.2 | 0 | 0 | 0 | 0 | 109.4 | V354 W420 Y422 V446 K449 Q450 V459 V460 | V352-V354 HydrophobicContact CG1-CG2 4.41Å; V352-W420 WeakPolarHBondContact CA-O 3.45Å; V352-Y422 HydrophobicContact CG1-CD2 3.83Å; V352-Y422 HydrophobicContact CG1-CE2 4.14Å; V352-V446 HydrophobicContact CG1-CG1 4.1Å; V352-K449 HydrophobicContact CG2-CG 4Å; V352-Q450 HydrophobicContact CG2-CB 4.28Å; V352-V459 HydrophobicContact CB-CG1 4.21Å; V352-V459 HydrophobicContact CB-CG2 4.39Å; V352-V459 HydrophobicContact CG1-CG1 4.1Å; V352-V460 PolarHBondContact O-N 3.49Å |
| 353 | I | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 125.4 | 174.8 | -58.4 | 169 | 0 | 0 | 0 | 108.4 | F341 W342 V345 Y370 V419 W420 Q421 Y422 V460 | F341-I353 HydrophobicContact CE1-CD1 3.98Å; F341-I353 HydrophobicContact CZ-CD1 4.02Å; F341-I353 HydrophobicContact CZ-CG2 4.14Å; W342-I353 HydrophobicContact CH2-CD1 4.15Å; W342-I353 HydrophobicContact CZ3-CD1 4.15Å; V345-I353 HydrophobicContact CG1-CD1 4.45Å; V345-I353 HydrophobicContact CG2-CD1 4.06Å; I353-Y370 HydrophobicContact CD1-CE2 4.49Å; I353-Y370 WeakPolarHBondContact CG2-OH 3.21Å; I353-V419 HydrophobicContact CD1-CG1 3.55Å; I353-V419 HydrophobicContact CG1-CG1 3.8Å; I353-W420 PolarHBondContact N-O 3.39Å; I353-Q421 HydrophobicContact CB-CB 4.47Å; I353-Q421 HydrophobicContact CB-CG 4.25Å; I353-Q421 HydrophobicContact CG2-CG 4.29Å; I353-Q421 CarbonylContact O-C 3.58Å; I353-Q421 WeakPolarHBondContact O-CA 3.11Å; I353-Y422 PolarHBondContact O-N 3.22Å; I353-V460 CarbonylContact C-O 3.54Å; I353-V460 WeakPolarHBondContact CA-O 3.44Å; I353-V460 HydrophobicContact CG1-CB 4.22Å; I353-V460 HydrophobicContact CG2-CB 4.46Å; I353-V460 HydrophobicContact CG2-CG1 4.47Å |
| 354 | V | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 117.8 | 175.8 | 178.7 | 0 | 0 | 0 | 0 | 109.3 | V352 T356 Y422 F442 V446 V459 V460 V461 H462 F473 | V352-V354 HydrophobicContact CG1-CG2 4.41Å; V354-T356 HydrophobicContact CG1-CG2 3.85Å; V354-Y422 CarbonylContact C-O 3.57Å; V354-Y422 WeakPolarHBondContact CA-O 3.23Å; V354-F442 HydrophobicContact CG1-CE1 3.73Å; V354-F442 HydrophobicContact CG1-CZ 3.93Å; V354-V446 HydrophobicContact CG2-CG1 3.85Å; V354-V446 HydrophobicContact CG2-CG2 3.94Å; V354-V459 HydrophobicContact CG2-CG1 3.86Å; V354-V460 PolarHBondContact N-O 3.43Å; V354-V461 HydrophobicContact CB-CB 4.42Å; V354-V461 HydrophobicContact CB-CG1 4.14Å; V354-V461 HydrophobicContact CB-CG2 4.17Å; V354-V461 HydrophobicContact CG1-CG1 4.11Å; V354-V461 WeakPolarHBondContact O-CA 3.34Å; V354-H462 PolarHBondContact O-N 2.95Å; V354-F473 HydrophobicContact CB-CE1 4.39Å; V354-F473 HydrophobicContact CG1-CD1 4.21Å; V354-F473 HydrophobicContact CG1-CD2 4.42Å; V354-F473 HydrophobicContact CG1-CE1 3.96Å; V354-F473 HydrophobicContact CG1-CE2 4.19Å; V354-F473 HydrophobicContact CG1-CG 4.44Å; V354-F473 HydrophobicContact CG1-CZ 3.94Å; V354-F473 HydrophobicContact CG2-CE1 4.08Å; V354-F473 HydrophobicContact CG2-CZ 4.16Å |
| 355 | M | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 117.1 | 176.2 | 175.5 | 167.9 | 176.2 | 0 | 0 | 109.2 | T357 E359 C367 Y370 W371 Y422 H423 F424 H462 | M355-T357 HydrophobicContact CE-CG2 4.29Å; M355-T357 WeakPolarHBondContact CE-O 3.44Å; M355-E359 HydrophobicContact CE-CG 4.31Å; M355-C367 HydrophobicContact CE-CB 3.98Å; M355-Y370 HydrophobicContact SD-CE1 4.15Å; M355-W371 HydrophobicContact CE-CH2 4.04Å; M355-W371 HydrophobicContact CE-CZ3 4.23Å; M355-W371 HydrophobicContact SD-CH2 3.93Å; M355-W371 HydrophobicContact SD-CZ3 3.75Å; M355-Y422 PolarHBondContact N-O 2.98Å; M355-H423 HydrophobicContact CB-CB 4.33Å; M355-H423 CarbonylContact O-C 3.54Å; M355-F424 PolarHBondContact O-N 2.82Å; M355-H462 WeakPolarHBondContact CG-CE1 3.46Å |
| 356 | T | 98.3 | Very high | 96.9 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | trans | -109.6 | 29.9 | -174.3 | 58.5 | 0 | 0 | 0 | 0 | 113.7 | V354 H462 C463 R469 | V354-T356 HydrophobicContact CG1-CG2 3.85Å; T356-H462 PolarHBondContact N-O 3.42Å; T356-H462 PolarHBondContact OG1-O 3.5Å; T356-C463 WeakPolarHBondContact OG1-CB 3.46Å; T356-R469 WeakPolarHBondContact O-CD 3.43Å; T356-R469 PolarHBondContact O-NH1 3.39Å; T356-R469 VanDerWaalsContact O-NH1 3.07Å | ||
| 357 | T | 97.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -150.1 | 151 | 178.5 | -171.1 | 0 | 0 | 0 | 0 | 110.1 | M355 E361 K366 C367 H423 | M355-T357 HydrophobicContact CE-CG2 4.29Å; M355-T357 WeakPolarHBondContact CE-O 3.44Å; T357-E361 PolarHBondContact OG1-OE1 3.06Å; T357-K366 HydrophobicContact CG2-CB 4.18Å; T357-K366 WeakPolarHBondContact OG1-CB 3.23Å; T357-C367 HydrophobicContact CG2-CB 4.26Å; T357-H423 PolarHBondContact O-NE2 3.49Å |
| 358 | K | 97.4 | Very high | 96.9 | Very high | 86 Ų | 86 | 41.9 Ų | 41.9 | 37% | 0.374 | 22% | 0.217 | S | C | . | . | trans | -71 | 161.8 | 165.2 | -66 | 173.8 | 179.8 | 122.1 | 0 | 109.8 | V360 E361 R425 | K358-V360 VanDerWaalsContact C-N 3.26Å; K358-V360 PolarHBondContact O-N 2.8Å; K358-E361 HydrophobicContact CB-CG 3.96Å; K358-E361 PolarHBondContact N-OE1 3.09Å; K358-E361 VanDerWaalsContact N-OE1 3.09Å; K358-R425 WeakPolarHBondContact CE-O 3.45Å; K358-R425 PolarHBondContact NZ-O 3.3Å; K358-R425 VanDerWaalsContact NZ-O 3.15Å | ||
| 359 | E | 96.9 | Very high | 96.9 | Very high | 69 Ų | 69 | 42.5 Ų | 42.5 | 32% | 0.322 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -59.7 | -39.4 | 175.3 | -66 | 176.6 | -135.8 | 0 | 0 | 112.1 | M355 S365 K366 C367 W371 | M355-E359 HydrophobicContact CE-CG 4.31Å; E359-S365 CarbonylContact O-C 3.6Å; E359-S365 WeakPolarHBondContact O-CA 3.46Å; E359-K366 PolarHBondContact O-N 3.31Å; E359-C367 WeakPolarHBondContact CA-O 3.45Å; E359-C367 PolarHBondContact O-N 3.21Å; E359-W371 HydrophobicContact CG-CH2 4.03Å; E359-W371 WeakPolarHBondContact OE1-CZ2 3.3Å |
| 360 | V | 96.8 | Very high | 97 | Very high | 81 Ų | 81 | 40.3 Ų | 40.3 | 49% | 0.491 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 130.6 | 178.5 | -178.7 | 0 | 0 | 0 | 0 | 109.2 | K358 K364 | K358-V360 VanDerWaalsContact C-N 3.26Å; K358-V360 PolarHBondContact O-N 2.8Å; V360-K364 WeakPolarHBondContact CA-O 3.35Å |
| 361 | E | 93.3 | Very high | 97 | Very high | 6 Ų | 6 | 40.4 Ų | 40.4 | 3% | 0.028 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 130.2 | 174.8 | -66.6 | 177.8 | -172.3 | 0 | 0 | 108.4 | T357 K358 G363 K364 K366 R469 | T357-E361 PolarHBondContact OG1-OE1 3.06Å; K358-E361 HydrophobicContact CB-CG 3.96Å; K358-E361 PolarHBondContact N-OE1 3.09Å; K358-E361 VanDerWaalsContact N-OE1 3.09Å; E361-G363 PolarHBondContact O-N 3.24Å; E361-G363 VanDerWaalsContact O-N 3.16Å; E361-K364 PolarHBondContact N-O 2.89Å; E361-K364 PolarHBondContact O-N 2.94Å; E361-K366 HydrophobicContact CB-CG 3.94Å; E361-K366 HydrophobicContact CG-CG 4.03Å; E361-R469 IonicContact OE1-CZ 3.98Å; E361-R469 IonicContact OE1-NH1 3.5Å; E361-R469 PolarHBondContact OE1-NH1 3.03Å; E361-R469 IonicContact OE1-NH2 3.39Å; E361-R469 IonicContact OE2-CZ 2.96Å; E361-R469 IonicContact OE2-NH1 3.67Å; E361-R469 PolarHBondContact OE2-NH1 3.18Å; E361-R469 IonicContact OE2-NH2 3.47Å; E361-R469 PolarHBondContact OE2-NH2 2.78Å |
| 362 | R | 90.1 | Very high | 97 | Very high | 179 Ų | 179 | 38.3 Ų | 38.3 | 68% | 0.675 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.5 | 40.9 | -175.3 | -50.6 | -174.4 | 66.4 | -149.8 | 3.1 | 114.1 | K364 D429 H430 | R362-K364 PolarHBondContact O-N 3.24Å; R362-D429 HydrophobicContact CG-CB 4.11Å; R362-D429 WeakPolarHBondContact CG-OD2 3.46Å; R362-H430 PolarHBondContact NH1-NE2 3.19Å |
| 363 | G | 92.3 | Very high | 97 | Very high | 73 Ų | 73 | 43.3 Ų | 43.3 | 75% | 0.753 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.9 | 7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | E361 | E361-G363 PolarHBondContact O-N 3.24Å; E361-G363 VanDerWaalsContact O-N 3.16Å |
| 364 | K | 93.4 | Very high | 97 | Very high | 132 Ų | 132 | 46.3 Ų | 46.3 | 57% | 0.574 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 128.9 | 176.3 | -64.1 | -179.1 | -178.6 | 178.6 | 0 | 110.1 | V360 E361 R362 K366 | V360-K364 WeakPolarHBondContact CA-O 3.35Å; E361-K364 PolarHBondContact N-O 2.89Å; E361-K364 PolarHBondContact O-N 2.94Å; R362-K364 PolarHBondContact O-N 3.24Å; K364-K366 PolarHBondContact O-N 3.31Å |
| 365 | S | 96.8 | Very high | 96.9 | Very high | 59 Ų | 59 | 52.9 Ų | 52.9 | 41% | 0.413 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 122.4 | 173.5 | 174.6 | 0 | 0 | 0 | 0 | 110.4 | R278 E359 | R278-S365 PolarHBondContact NH1-O 2.93Å; E359-S365 CarbonylContact O-C 3.6Å; E359-S365 WeakPolarHBondContact O-CA 3.46Å |
| 366 | K | 97.4 | Very high | 96.9 | Very high | 17 Ų | 17 | 54.7 Ų | 54.7 | 7% | 0.074 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -99.5 | -34.4 | 176.6 | -62.2 | -63.7 | -167.4 | 160 | 0 | 111.9 | D61 R278 T357 E359 E361 K364 | D61-K366 IonicContact OD2-NZ 3.17Å; D61-K366 PolarHBondContact OD2-NZ 2.94Å; R278-K366 PolarHBondContact NE-O 2.8Å; R278-K366 VanDerWaalsContact NE-O 3.16Å; R278-K366 PolarHBondContact NH2-O 2.87Å; T357-K366 HydrophobicContact CG2-CB 4.18Å; T357-K366 WeakPolarHBondContact OG1-CB 3.23Å; E359-K366 PolarHBondContact O-N 3.31Å; E361-K366 HydrophobicContact CB-CG 3.94Å; E361-K366 HydrophobicContact CG-CG 4.03Å; K364-K366 PolarHBondContact O-N 3.31Å |
| 367 | C | 98.5 | Very high | 96.9 | Very high | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.007 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -154.5 | 136.4 | 178 | -173.5 | 0 | 0 | 0 | 0 | 109.1 | C333 M355 T357 E359 | C333-C367 PolarHBondContact N-SG 3.29Å; M355-C367 HydrophobicContact CE-CB 3.98Å; T357-C367 HydrophobicContact CG2-CB 4.26Å; E359-C367 WeakPolarHBondContact CA-O 3.45Å; E359-C367 PolarHBondContact O-N 3.21Å |
| 368 | V | 98.5 | Very high | 96.9 | Very high | 26 Ų | 26 | 63.7 Ų | 63.7 | 16% | 0.158 | 32% | 0.324 | C | S | . | . | trans | -80.1 | 148.6 | 171.5 | -53.6 | 0 | 0 | 0 | 0 | 110.2 | C333 V338 Y370 | C333-V368 HydrophobicContact CB-CG2 3.87Å; C333-V368 WeakPolarHBondContact O-CG2 3.39Å; C333-V368 PolarHBondContact O-N 3.09Å; V338-V368 HydrophobicContact CG2-CG2 3.57Å; V368-Y370 WeakPolarHBondContact O-CD1 3.34Å; V368-Y370 PolarHBondContact O-N 3.04Å; V368-Y370 VanDerWaalsContact O-N 3.07Å | ||
| 369 | K | 98.7 | Very high | 97 | Very high | 66 Ų | 66 | 64.3 Ų | 64.3 | 29% | 0.287 | 33% | 0.329 | S | S | . | . | trans | -62.4 | 108.8 | 173.4 | -173.9 | 164.1 | -178 | -76.4 | 0 | 111.2 | W371 D373 | K369-W371 HydrophobicContact CD-CZ2 4.26Å; K369-W371 HydrophobicContact CG-CD2 3.9Å; K369-W371 HydrophobicContact CG-CE3 4.25Å; K369-W371 HydrophobicContact CG-CG 4.38Å; K369-W371 HydrophobicContact CG-CH2 4.26Å; K369-W371 HydrophobicContact CG-CZ2 3.91Å; K369-W371 HydrophobicContact CG-CZ3 4.43Å; K369-W371 WeakPolarHBondContact CG-O 3.47Å; K369-W371 PolarHBondContact NZ-O 2.91Å; K369-D373 VanDerWaalsContact CE-OD1 3.26Å; K369-D373 WeakPolarHBondContact CE-OD1 3.45Å; K369-D373 IonicContact NZ-OD1 3.96Å; K369-D373 PolarHBondContact NZ-OD1 2.8Å | ||
| 370 | Y | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.315 | C | S | . | . | trans | -101 | 5.2 | 179.9 | 60.7 | -94.5 | 0 | 0 | 0 | 113.3 | C333 F341 W342 I353 M355 V368 Y380 Q421 H462 | C333-Y370 HydrophobicContact CB-CD1 4.23Å; F341-Y370 AromaticContact CD1-CD2 3.94Å; F341-Y370 HydrophobicContact CD1-CD2 3.94Å; F341-Y370 HydrophobicContact CD1-CE2 4.27Å; F341-Y370 HydrophobicContact CD1-CG 4.36Å; F341-Y370 AromaticContact CE1-CD2 3.6Å; F341-Y370 HydrophobicContact CE1-CD2 3.6Å; F341-Y370 AromaticContact CE1-CE2 3.47Å; F341-Y370 HydrophobicContact CE1-CE2 3.47Å; F341-Y370 VanDerWaalsContact CE1-CE2 3.47Å; F341-Y370 HydrophobicContact CE1-CG 4.32Å; F341-Y370 HydrophobicContact CZ-CD2 4.41Å; F341-Y370 AromaticContact CZ-CE2 3.94Å; F341-Y370 HydrophobicContact CZ-CE2 3.94Å; W342-Y370 HydrophobicContact CH2-CD2 4.5Å; W342-Y370 AromaticContact CZ2-CD2 3.69Å; W342-Y370 HydrophobicContact CZ2-CD2 3.69Å; W342-Y370 HydrophobicContact CZ2-CE2 4.16Å; W342-Y370 WeakPolarHBondContact CZ2-O 3.36Å; W342-Y370 PolarHBondContact NE1-O 3.48Å; I353-Y370 HydrophobicContact CD1-CE2 4.49Å; I353-Y370 WeakPolarHBondContact CG2-OH 3.21Å; M355-Y370 HydrophobicContact SD-CE1 4.15Å; V368-Y370 WeakPolarHBondContact O-CD1 3.34Å; V368-Y370 PolarHBondContact O-N 3.04Å; V368-Y370 VanDerWaalsContact O-N 3.07Å; Y370-Y380 WeakPolarHBondContact O-CE2 3.35Å; Y370-Y380 VanDerWaalsContact O-CZ 3.24Å; Y370-Y380 PolarHBondContact O-OH 2.78Å; Y370-Q421 PolarHBondContact OH-NE2 3.01Å; Y370-H462 AromaticContact CE1-CE1 3.7Å; Y370-H462 AromaticContact CE1-NE2 3.5Å; Y370-H462 WeakPolarHBondContact CE1-NE2 3.5Å; Y370-H462 AromaticContact CZ-NE2 3.54Å; Y370-H462 PolarHBondContact OH-NE2 3.49Å | ||
| 371 | W | 98.8 | Very high | 96.9 | Very high | 2 Ų | 2 | 59.9 Ų | 59.9 | 1% | 0.008 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -118.7 | 149.2 | 178.8 | 63.7 | 95.6 | 0 | 0 | 0 | 111.1 | M355 E359 K369 Y380 R399 L401 Q421 | M355-W371 HydrophobicContact CE-CH2 4.04Å; M355-W371 HydrophobicContact CE-CZ3 4.23Å; M355-W371 HydrophobicContact SD-CH2 3.93Å; M355-W371 HydrophobicContact SD-CZ3 3.75Å; E359-W371 HydrophobicContact CG-CH2 4.03Å; E359-W371 WeakPolarHBondContact OE1-CZ2 3.3Å; K369-W371 HydrophobicContact CD-CZ2 4.26Å; K369-W371 HydrophobicContact CG-CD2 3.9Å; K369-W371 HydrophobicContact CG-CE3 4.25Å; K369-W371 HydrophobicContact CG-CG 4.38Å; K369-W371 HydrophobicContact CG-CH2 4.26Å; K369-W371 HydrophobicContact CG-CZ2 3.91Å; K369-W371 HydrophobicContact CG-CZ3 4.43Å; K369-W371 WeakPolarHBondContact CG-O 3.47Å; K369-W371 PolarHBondContact NZ-O 2.91Å; W371-Y380 WeakPolarHBondContact CA-OH 3.4Å; W371-R399 VanDerWaalsContact CE2-CZ 3.46Å; W371-R399 VanDerWaalsContact CE2-NH1 3.3Å; W371-L401 HydrophobicContact CB-CD1 4.4Å; W371-Q421 VanDerWaalsContact CE3-NE2 3.32Å |
| 372 | P | 98.6 | Very high | 97 | Very high | 6 Ų | 6 | 63.1 Ų | 63.1 | 4% | 0.039 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 160.6 | 173.5 | 29 | -29.4 | 0 | 0 | 0 | 111.2 | A376 K378 V385 N387 | P372-A376 HydrophobicContact CB-CB 4.05Å; P372-A376 WeakPolarHBondContact CG-O 3.48Å; P372-K378 HydrophobicContact CB-CB 3.94Å; P372-K378 HydrophobicContact CG-CB 4.48Å; P372-V385 HydrophobicContact CG-CG1 4.32Å; P372-N387 HydrophobicContact CG-CB 3.83Å; P372-N387 PolarHBondContact O-ND2 2.96Å |
| 373 | D | 98.6 | Very high | 97.3 | Very high | 105 Ų | 105 | 54.9 Ų | 54.9 | 56% | 0.561 | 31% | 0.305 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 159.3 | 171.3 | -59.6 | -41.4 | 0 | 0 | 0 | 111.1 | K369 Y375 A376 N387 | K369-D373 VanDerWaalsContact CE-OD1 3.26Å; K369-D373 WeakPolarHBondContact CE-OD1 3.45Å; K369-D373 IonicContact NZ-OD1 3.96Å; K369-D373 PolarHBondContact NZ-OD1 2.8Å; D373-Y375 PolarHBondContact O-N 3.49Å; D373-A376 HydrophobicContact CB-CB 4.4Å; D373-A376 VanDerWaalsContact O-CB 3.26Å; D373-A376 WeakPolarHBondContact O-CB 3.46Å; D373-A376 PolarHBondContact O-N 3.28Å; D373-N387 WeakPolarHBondContact O-CB 3.49Å |
| 374 | E | 98.4 | Very high | 97.5 | Very high | 62 Ų | 62 | 55.2 Ų | 55.2 | 29% | 0.29 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | 135.2 | 179.2 | -163.2 | 179.5 | -160 | 0 | 0 | 110.9 | A376 N387 K389 E390 | E374-A376 PolarHBondContact O-N 2.87Å; E374-A376 VanDerWaalsContact O-N 3.08Å; E374-N387 PolarHBondContact N-ND2 3.47Å; E374-K389 WeakPolarHBondContact OE1-CD 3.39Å; E374-K389 WeakPolarHBondContact OE1-CE 3.36Å; E374-K389 IonicContact OE1-NZ 2.78Å; E374-K389 PolarHBondContact OE1-NZ 2.79Å; E374-E390 HydrophobicContact CB-CG 3.97Å; E374-E390 HydrophobicContact CG-CB 4.32Å; E374-E390 HydrophobicContact CG-CG 3.94Å; E374-E390 PolarHBondContact OE1-N 3Å |
| 375 | Y | 97.9 | Very high | 97.8 | Very high | 139 Ų | 139 | 48.9 Ų | 48.9 | 55% | 0.545 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | -10.9 | -175 | -46.9 | -62 | 0 | 0 | 0 | 116.2 | D373 N387 V388 K389 | D373-Y375 PolarHBondContact O-N 3.49Å; Y375-N387 WeakPolarHBondContact CA-O 2.82Å; Y375-N387 PolarHBondContact N-O 2.78Å; Y375-V388 VanDerWaalsContact CD1-O 3.32Å; Y375-V388 WeakPolarHBondContact CD1-O 3.36Å; Y375-V388 WeakPolarHBondContact CE1-O 3.4Å; Y375-K389 HydrophobicContact CE1-CD 4.46Å; Y375-K389 PolarHBondContact OH-NZ 3.07Å |
| 376 | A | 98.5 | Very high | 97.9 | Very high | 38 Ų | 38 | 51.1 Ų | 51.1 | 31% | 0.314 | 26% | 0.255 | S | S | . | . | trans | -80.9 | 155.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | P372 D373 E374 R386 N387 | P372-A376 HydrophobicContact CB-CB 4.05Å; P372-A376 WeakPolarHBondContact CG-O 3.48Å; D373-A376 HydrophobicContact CB-CB 4.4Å; D373-A376 VanDerWaalsContact O-CB 3.26Å; D373-A376 WeakPolarHBondContact O-CB 3.46Å; D373-A376 PolarHBondContact O-N 3.28Å; E374-A376 PolarHBondContact O-N 2.87Å; E374-A376 VanDerWaalsContact O-N 3.08Å; A376-R386 WeakPolarHBondContact O-CA 3.3Å; A376-N387 PolarHBondContact O-N 3Å | ||
| 377 | L | 97.9 | Very high | 97.9 | Very high | 85 Ų | 85 | 50.3 Ų | 50.3 | 45% | 0.445 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 134.8 | 175.3 | -177.4 | 74.7 | 0 | 0 | 0 | 108.6 | R384 R386 | L377-R384 HydrophobicContact CD1-CG 3.66Å; L377-R384 HydrophobicContact CG-CG 4.21Å; L377-R386 HydrophobicContact CD1-CB 3.67Å; L377-R386 HydrophobicContact CD1-CG 4.41Å |
| 378 | K | 98.3 | Very high | 98 | Very high | 105 Ų | 105 | 52.2 Ų | 52.2 | 46% | 0.457 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 144.2 | 175.4 | -173.2 | 163.2 | 169.7 | -172 | 0 | 111.6 | P372 Y380 V385 | P372-K378 HydrophobicContact CB-CB 3.94Å; P372-K378 HydrophobicContact CG-CB 4.48Å; K378-Y380 HydrophobicContact CB-CE2 4.05Å; K378-Y380 HydrophobicContact CD-CE1 3.83Å; K378-Y380 HydrophobicContact CD-CE2 4.48Å; K378-Y380 WeakPolarHBondContact CD-OH 3.32Å; K378-Y380 HydrophobicContact CG-CE1 4.03Å; K378-Y380 HydrophobicContact CG-CE2 4.11Å; K378-V385 PolarHBondContact N-O 3.43Å; K378-V385 PolarHBondContact O-N 3.35Å |
| 379 | E | 98 | Very high | 98 | Very high | 100 Ų | 100 | 55 Ų | 55 | 47% | 0.467 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 137.3 | 172.7 | -61.3 | -171.4 | 161.1 | 0 | 0 | 110 | M383 R384 V406 | E379-M383 CarbonylContact C-O 3.56Å; E379-M383 WeakPolarHBondContact CA-O 3.43Å; E379-R384 HydrophobicContact CG-CB 4.3Å; E379-R384 HydrophobicContact CG-CG 4.2Å; E379-R384 IonicContact OE1-CZ 3.63Å; E379-R384 VanDerWaalsContact OE1-CZ 3.3Å; E379-R384 IonicContact OE1-NE 3.32Å; E379-R384 PolarHBondContact OE1-NE 2.86Å; E379-R384 IonicContact OE1-NH2 2.9Å; E379-R384 PolarHBondContact OE1-NH2 2.81Å; E379-V406 HydrophobicContact CG-CG2 4.29Å |
| 380 | Y | 97.4 | Very high | 98 | Very high | 9 Ų | 9 | 54 Ų | 54 | 4% | 0.035 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 82.6 | -178.5 | -62.4 | -73.1 | 0 | 0 | 0 | 107.7 | V338 N339 W342 Y370 W371 K378 V382 M383 V385 | V338-Y380 HydrophobicContact CG1-CD1 3.33Å; V338-Y380 HydrophobicContact CG1-CE1 3.64Å; V338-Y380 HydrophobicContact CG1-CG 4.03Å; N339-Y380 VanDerWaalsContact OD1-C 3.27Å; N339-Y380 WeakPolarHBondContact OD1-CA 3.42Å; W342-Y380 AromaticContact CD1-CD2 3.56Å; W342-Y380 AromaticContact CD1-CG 3.64Å; W342-Y380 HydrophobicContact CG-CD2 4.42Å; W342-Y380 AromaticContact NE1-CD2 3.51Å; W342-Y380 AromaticContact NE1-CE2 3.7Å; W342-Y380 AromaticContact NE1-CG 3.94Å; Y370-Y380 WeakPolarHBondContact O-CE2 3.35Å; Y370-Y380 VanDerWaalsContact O-CZ 3.24Å; Y370-Y380 PolarHBondContact O-OH 2.78Å; W371-Y380 WeakPolarHBondContact CA-OH 3.4Å; K378-Y380 HydrophobicContact CB-CE2 4.05Å; K378-Y380 HydrophobicContact CD-CE1 3.83Å; K378-Y380 HydrophobicContact CD-CE2 4.48Å; K378-Y380 WeakPolarHBondContact CD-OH 3.32Å; K378-Y380 HydrophobicContact CG-CE1 4.03Å; K378-Y380 HydrophobicContact CG-CE2 4.11Å; Y380-V382 PolarHBondContact O-N 3.29Å; Y380-M383 PolarHBondContact N-O 3.16Å; Y380-M383 PolarHBondContact O-N 3Å; Y380-V385 HydrophobicContact CD2-CB 4.18Å; Y380-V385 HydrophobicContact CD2-CG2 3.89Å; Y380-V385 HydrophobicContact CE2-CB 3.99Å; Y380-V385 HydrophobicContact CE2-CG2 4.12Å |
| 381 | G | 94.8 | Very high | 97.9 | Very high | 48 Ų | 48 | 57 Ų | 57 | 50% | 0.495 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | -127.5 | -166.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | N339 M383 | N339-G381 PolarHBondContact OD1-N 2.71Å; G381-M383 PolarHBondContact O-N 2.95Å |
| 382 | V | 94.5 | Very high | 97.9 | Very high | 73 Ų | 73 | 60.9 Ų | 60.9 | 44% | 0.442 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -2.6 | 179.1 | -59.6 | 0 | 0 | 0 | 0 | 114.2 | Y380 V406 | Y380-V382 PolarHBondContact O-N 3.29Å; V382-V406 PolarHBondContact O-N 2.73Å |
| 383 | M | 97.3 | Very high | 97.7 | Very high | 7 Ų | 7 | 62.2 Ų | 62.2 | 3% | 0.034 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 137.7 | -178.4 | -61.6 | -56.4 | 169.3 | 0 | 0 | 110.8 | W342 R343 F346 E379 Y380 G381 L403 K405 | W342-M383 HydrophobicContact CB-CB 3.8Å; W342-M383 HydrophobicContact CB-CG 3.92Å; R343-M383 HydrophobicContact CG-CE 4.25Å; F346-M383 HydrophobicContact CB-CE 3.56Å; F346-M383 HydrophobicContact CB-SD 3.79Å; F346-M383 HydrophobicContact CD1-CE 3.69Å; F346-M383 HydrophobicContact CD1-SD 4.34Å; F346-M383 HydrophobicContact CD2-CE 4.36Å; F346-M383 HydrophobicContact CD2-SD 3.94Å; F346-M383 HydrophobicContact CE1-CE 4.49Å; F346-M383 HydrophobicContact CG-CE 3.6Å; F346-M383 HydrophobicContact CG-SD 3.75Å; E379-M383 CarbonylContact C-O 3.56Å; E379-M383 WeakPolarHBondContact CA-O 3.43Å; Y380-M383 PolarHBondContact N-O 3.16Å; Y380-M383 PolarHBondContact O-N 3Å; G381-M383 PolarHBondContact O-N 2.95Å; M383-L403 HydrophobicContact CB-CD1 4.13Å; M383-K405 HydrophobicContact SD-CB 4.44Å; M383-K405 HydrophobicContact SD-CG 4.43Å |
| 384 | R | 97.6 | Very high | 97.5 | Very high | 79 Ų | 79 | 64.8 Ų | 64.8 | 30% | 0.298 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 128.7 | 177.6 | 179.9 | -175 | -65.5 | 154 | -2.6 | 109.7 | L377 E379 L403 S404 V406 | L377-R384 HydrophobicContact CD1-CG 3.66Å; L377-R384 HydrophobicContact CG-CG 4.21Å; E379-R384 HydrophobicContact CG-CB 4.3Å; E379-R384 HydrophobicContact CG-CG 4.2Å; E379-R384 IonicContact OE1-CZ 3.63Å; E379-R384 VanDerWaalsContact OE1-CZ 3.3Å; E379-R384 IonicContact OE1-NE 3.32Å; E379-R384 PolarHBondContact OE1-NE 2.86Å; E379-R384 IonicContact OE1-NH2 2.9Å; E379-R384 PolarHBondContact OE1-NH2 2.81Å; R384-L403 WeakPolarHBondContact O-CA 3.45Å; R384-S404 PolarHBondContact N-O 3.49Å; R384-S404 PolarHBondContact O-N 2.87Å; R384-V406 HydrophobicContact CB-CG2 3.93Å |
| 385 | V | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 128.3 | -178 | -176.2 | 0 | 0 | 0 | 0 | 110 | W342 P372 K378 Y380 L401 K402 L403 | W342-V385 HydrophobicContact CD2-CG2 3.72Å; W342-V385 HydrophobicContact CE3-CG2 3.97Å; W342-V385 HydrophobicContact CG-CG2 4.25Å; W342-V385 HydrophobicContact CH2-CG1 4.06Å; W342-V385 HydrophobicContact CH2-CG2 4.1Å; W342-V385 HydrophobicContact CZ2-CB 4.45Å; W342-V385 HydrophobicContact CZ2-CG1 3.98Å; W342-V385 HydrophobicContact CZ2-CG2 3.85Å; W342-V385 HydrophobicContact CZ3-CG2 4.15Å; P372-V385 HydrophobicContact CG-CG1 4.32Å; K378-V385 PolarHBondContact N-O 3.43Å; K378-V385 PolarHBondContact O-N 3.35Å; Y380-V385 HydrophobicContact CD2-CB 4.18Å; Y380-V385 HydrophobicContact CD2-CG2 3.89Å; Y380-V385 HydrophobicContact CE2-CB 3.99Å; Y380-V385 HydrophobicContact CE2-CG2 4.12Å; V385-L401 HydrophobicContact CG1-CB 4.21Å; V385-K402 CarbonylContact C-O 3.55Å; V385-K402 VanDerWaalsContact CA-O 3.28Å; V385-K402 WeakPolarHBondContact CA-O 3.45Å; V385-L403 HydrophobicContact CG2-CD1 3.78Å |
| 386 | R | 98.6 | Very high | 97.4 | Very high | 105 Ų | 105 | 58.8 Ų | 58.8 | 40% | 0.396 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 133.6 | 168.1 | -178.4 | 179.9 | -70 | -82.9 | 2.9 | 109.1 | A376 L377 V388 L401 K402 | A376-R386 WeakPolarHBondContact O-CA 3.3Å; L377-R386 HydrophobicContact CD1-CB 3.67Å; L377-R386 HydrophobicContact CD1-CG 4.41Å; R386-V388 HydrophobicContact CG-CG2 4.41Å; R386-L401 CarbonylContact O-C 3.57Å; R386-L401 VanDerWaalsContact O-CA 3.27Å; R386-L401 WeakPolarHBondContact O-CA 3.25Å; R386-K402 HydrophobicContact CB-CB 4.27Å; R386-K402 PolarHBondContact N-O 3.09Å; R386-K402 PolarHBondContact O-N 2.71Å |
| 387 | N | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 110.5 | 166.7 | -176.5 | -6.8 | 0 | 0 | 0 | 107.7 | P372 D373 E374 Y375 A376 E390 L401 | P372-N387 HydrophobicContact CG-CB 3.83Å; P372-N387 PolarHBondContact O-ND2 2.96Å; D373-N387 WeakPolarHBondContact O-CB 3.49Å; E374-N387 PolarHBondContact N-ND2 3.47Å; Y375-N387 WeakPolarHBondContact CA-O 2.82Å; Y375-N387 PolarHBondContact N-O 2.78Å; A376-N387 PolarHBondContact O-N 3Å; N387-E390 PolarHBondContact ND2-OE1 2.96Å; N387-L401 HydrophobicContact CB-CD2 3.79Å |
| 388 | V | 98.7 | Very high | 97.4 | Very high | 41 Ų | 41 | 54.5 Ų | 54.5 | 25% | 0.248 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | -45.3 | -174.2 | 178.9 | 0 | 0 | 0 | 0 | 110.2 | Y375 R386 E400 K402 | Y375-V388 VanDerWaalsContact CD1-O 3.32Å; Y375-V388 WeakPolarHBondContact CD1-O 3.36Å; Y375-V388 WeakPolarHBondContact CE1-O 3.4Å; R386-V388 HydrophobicContact CG-CG2 4.41Å; V388-E400 HydrophobicContact CB-CB 4.27Å; V388-E400 HydrophobicContact CB-CG 4.21Å; V388-E400 WeakPolarHBondContact CB-O 3.34Å; V388-E400 PolarHBondContact N-O 3.07Å; V388-K402 HydrophobicContact CG2-CB 4.34Å; V388-K402 HydrophobicContact CG2-CD 3.75Å; V388-K402 HydrophobicContact CG2-CG 3.73Å |
| 389 | K | 98.5 | Very high | 97.5 | Very high | 84 Ų | 84 | 50.4 Ų | 50.4 | 37% | 0.365 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 142.5 | -174.7 | -171.4 | 70.1 | -162 | 132.9 | 0 | 110.9 | E374 Y375 R399 E400 | E374-K389 WeakPolarHBondContact OE1-CD 3.39Å; E374-K389 WeakPolarHBondContact OE1-CE 3.36Å; E374-K389 IonicContact OE1-NZ 2.78Å; E374-K389 PolarHBondContact OE1-NZ 2.79Å; Y375-K389 HydrophobicContact CE1-CD 4.46Å; Y375-K389 PolarHBondContact OH-NZ 3.07Å; K389-R399 WeakPolarHBondContact O-CA 3.5Å; K389-E400 PolarHBondContact O-N 3.2Å |
| 390 | E | 98.6 | Very high | 97.5 | Very high | 47 Ų | 47 | 48.2 Ų | 48.2 | 22% | 0.22 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 136.1 | 165.4 | -57.6 | -161.7 | -171.9 | 0 | 0 | 110.6 | E374 N387 T397 L398 R399 | E374-E390 HydrophobicContact CB-CG 3.97Å; E374-E390 HydrophobicContact CG-CB 4.32Å; E374-E390 HydrophobicContact CG-CG 3.94Å; E374-E390 PolarHBondContact OE1-N 3Å; N387-E390 PolarHBondContact ND2-OE1 2.96Å; E390-T397 HydrophobicContact CB-CG2 4.46Å; E390-L398 CarbonylContact C-O 3.53Å; E390-L398 WeakPolarHBondContact CA-O 3.5Å; E390-R399 HydrophobicContact CG-CB 4.49Å; E390-R399 HydrophobicContact CG-CG 3.91Å; E390-R399 WeakPolarHBondContact OE1-CD 3.09Å; E390-R399 IonicContact OE1-NE 3.24Å; E390-R399 PolarHBondContact OE1-NE 3.3Å; E390-R399 IonicContact OE2-CZ 3.19Å; E390-R399 IonicContact OE2-NE 3.89Å; E390-R399 PolarHBondContact OE2-NE 3.19Å; E390-R399 IonicContact OE2-NH2 3.8Å; E390-R399 PolarHBondContact OE2-NH2 2.92Å |
| 391 | S | 98.3 | Very high | 97.6 | Very high | 61 Ų | 61 | 47.8 Ų | 47.8 | 43% | 0.427 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 115.5 | 174.1 | -61.6 | 0 | 0 | 0 | 0 | 108.6 | L398 | S391-L398 PolarHBondContact N-O 2.76Å; S391-L398 PolarHBondContact O-N 3.37Å |
| 392 | A | 97.1 | Very high | 97.8 | Very high | 84 Ų | 84 | 48.4 Ų | 48.4 | 69% | 0.694 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 122.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 393 | A | 95.9 | Very high | 97.9 | Very high | 35 Ų | 35 | 45 Ų | 45 | 29% | 0.289 | 23% | 0.23 | S | C | . | . | trans | -100.2 | 176.9 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y396 R425 | A393-Y396 CarbonylContact C-O 3.57Å; A393-Y396 WeakPolarHBondContact CA-O 3.36Å; A393-Y396 HydrophobicContact CB-CD1 3.78Å; A393-Y396 HydrophobicContact CB-CD2 4.29Å; A393-Y396 HydrophobicContact CB-CE1 3.58Å; A393-Y396 HydrophobicContact CB-CE2 4.09Å; A393-Y396 HydrophobicContact CB-CG 4.13Å; A393-Y396 PolarHBondContact N-O 3.35Å; A393-Y396 VanDerWaalsContact O-O 3.1Å; A393-R425 PolarHBondContact O-NH2 2.89Å | ||
| 394 | H | 94.4 | Very high | 97.9 | Very high | 158 Ų | 158 | 45.3 Ų | 45.3 | 73% | 0.731 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -57.7 | -58.5 | 176.6 | 177.9 | -99.2 | 0 | 0 | 0 | 111.2 | ||
| 395 | D | 95.8 | Very high | 97.6 | Very high | 37 Ų | 37 | 43.7 Ų | 43.7 | 20% | 0.198 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -89.5 | -19.5 | -173.4 | -68.5 | -68.4 | 0 | 0 | 0 | 114.8 | F424 R425 T426 | D395-F424 HydrophobicContact CB-CD2 4.37Å; D395-F424 HydrophobicContact CB-CE2 3.73Å; D395-F424 HydrophobicContact CB-CZ 4.11Å; D395-R425 PolarHBondContact O-N 3.37Å; D395-T426 HydrophobicContact CB-CG2 4.38Å; D395-T426 WeakPolarHBondContact CB-OG1 3.39Å; D395-T426 WeakPolarHBondContact OD1-CB 3.34Å; D395-T426 WeakPolarHBondContact OD1-CG2 3.48Å; D395-T426 PolarHBondContact OD1-OG1 3.31Å |
| 396 | Y | 98 | Very high | 97.2 | Very high | 39 Ų | 39 | 46 Ų | 46 | 15% | 0.153 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 167.2 | -172.7 | 70.3 | -88.3 | 0 | 0 | 0 | 113.5 | A393 L398 Y422 H423 F442 | A393-Y396 CarbonylContact C-O 3.57Å; A393-Y396 WeakPolarHBondContact CA-O 3.36Å; A393-Y396 HydrophobicContact CB-CD1 3.78Å; A393-Y396 HydrophobicContact CB-CD2 4.29Å; A393-Y396 HydrophobicContact CB-CE1 3.58Å; A393-Y396 HydrophobicContact CB-CE2 4.09Å; A393-Y396 HydrophobicContact CB-CG 4.13Å; A393-Y396 PolarHBondContact N-O 3.35Å; A393-Y396 VanDerWaalsContact O-O 3.1Å; Y396-L398 HydrophobicContact CE2-CB 4.17Å; Y396-Y422 HydrophobicContact CD2-CD1 4.19Å; Y396-Y422 HydrophobicContact CE2-CD1 4.02Å; Y396-Y422 HydrophobicContact CE2-CE1 4.16Å; Y396-H423 CarbonylContact C-O 3.58Å; Y396-H423 WeakPolarHBondContact CA-O 3.34Å; Y396-H423 WeakPolarHBondContact CB-O 3.44Å; Y396-F442 HydrophobicContact CD1-CB 4.38Å; Y396-F442 AromaticContact CD1-CD2 3.56Å; Y396-F442 HydrophobicContact CD1-CD2 3.56Å; Y396-F442 HydrophobicContact CD1-CE2 4.32Å; Y396-F442 HydrophobicContact CD1-CG 4.43Å; Y396-F442 AromaticContact CD2-CD2 4Å; Y396-F442 HydrophobicContact CD2-CD2 4Å; Y396-F442 HydrophobicContact CD2-CE2 4.03Å; Y396-F442 HydrophobicContact CE1-CD2 4.14Å; Y396-F442 AromaticContact CG-CD2 3.47Å; Y396-F442 HydrophobicContact CG-CD2 3.47Å; Y396-F442 VanDerWaalsContact CG-CD2 3.47Å; Y396-F442 AromaticContact CG-CE2 3.77Å; Y396-F442 HydrophobicContact CG-CE2 3.77Å |
| 397 | T | 98.6 | Very high | 96.3 | Very high | 5 Ų | 5 | 43.4 Ų | 43.4 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 127.6 | 167.2 | -58.6 | 0 | 0 | 0 | 0 | 108.7 | E390 R399 H423 R425 | E390-T397 HydrophobicContact CB-CG2 4.46Å; T397-R399 HydrophobicContact CG2-CG 4.27Å; T397-H423 PolarHBondContact N-O 2.87Å; T397-H423 PolarHBondContact O-N 3.2Å; T397-R425 WeakPolarHBondContact OG1-CD 3.33Å; T397-R425 PolarHBondContact OG1-NE 3.22Å; T397-R425 VanDerWaalsContact OG1-NE 3.13Å; T397-R425 PolarHBondContact OG1-NH1 3.46Å |
| 398 | L | 98.8 | Very high | 94.9 | Very high | 28 Ų | 28 | 45.4 Ų | 45.4 | 15% | 0.147 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 132.9 | 170.2 | 177.5 | 60.7 | 0 | 0 | 0 | 109.2 | E390 S391 Y396 W420 Q421 Y422 | E390-L398 CarbonylContact C-O 3.53Å; E390-L398 WeakPolarHBondContact CA-O 3.5Å; S391-L398 PolarHBondContact N-O 2.76Å; S391-L398 PolarHBondContact O-N 3.37Å; Y396-L398 HydrophobicContact CE2-CB 4.17Å; L398-W420 HydrophobicContact CD1-CB 4.36Å; L398-W420 HydrophobicContact CD1-CE3 4.05Å; L398-W420 HydrophobicContact CD2-CE3 4.23Å; L398-W420 HydrophobicContact CD2-CZ3 4.36Å; L398-W420 HydrophobicContact CG-CE3 4.34Å; L398-Q421 CarbonylContact C-O 3.58Å; L398-Q421 WeakPolarHBondContact CA-O 3.43Å; L398-Y422 HydrophobicContact CD1-CD1 4.07Å; L398-Y422 HydrophobicContact CD1-CD2 3.83Å; L398-Y422 HydrophobicContact CD1-CE1 3.85Å; L398-Y422 HydrophobicContact CD1-CE2 3.59Å; L398-Y422 HydrophobicContact CD1-CG 4.07Å |
| 399 | R | 98.8 | Very high | 93 | Very high | 18 Ų | 18 | 47.3 Ų | 47.3 | 7% | 0.068 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 127.3 | 170.1 | -47.1 | -163.7 | 173.1 | 89.4 | -2.3 | 110.4 | W371 K389 E390 T397 L401 Q421 H423 | W371-R399 VanDerWaalsContact CE2-CZ 3.46Å; W371-R399 VanDerWaalsContact CE2-NH1 3.3Å; K389-R399 WeakPolarHBondContact O-CA 3.5Å; E390-R399 HydrophobicContact CG-CB 4.49Å; E390-R399 HydrophobicContact CG-CG 3.91Å; E390-R399 WeakPolarHBondContact OE1-CD 3.09Å; E390-R399 IonicContact OE1-NE 3.24Å; E390-R399 PolarHBondContact OE1-NE 3.3Å; E390-R399 IonicContact OE2-CZ 3.19Å; E390-R399 IonicContact OE2-NE 3.89Å; E390-R399 PolarHBondContact OE2-NE 3.19Å; E390-R399 IonicContact OE2-NH2 3.8Å; E390-R399 PolarHBondContact OE2-NH2 2.92Å; T397-R399 HydrophobicContact CG2-CG 4.27Å; R399-L401 HydrophobicContact CB-CD2 3.91Å; R399-L401 HydrophobicContact CB-CG 4.25Å; R399-Q421 HydrophobicContact CB-CB 4.24Å; R399-Q421 PolarHBondContact N-O 3.43Å; R399-Q421 PolarHBondContact O-N 3.39Å; R399-H423 PolarHBondContact NH1-ND1 3.35Å |
| 400 | E | 98.8 | Very high | 90.9 | Very high | 54 Ų | 54 | 51 Ų | 51 | 25% | 0.252 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 110.2 | 169.3 | -173.7 | -175.4 | 158.6 | 0 | 0 | 108.6 | V388 K389 T418 W420 | V388-E400 HydrophobicContact CB-CB 4.27Å; V388-E400 HydrophobicContact CB-CG 4.21Å; V388-E400 WeakPolarHBondContact CB-O 3.34Å; V388-E400 PolarHBondContact N-O 3.07Å; K389-E400 PolarHBondContact O-N 3.2Å; E400-T418 HydrophobicContact CG-CG2 3.66Å; E400-W420 HydrophobicContact CB-CE3 4.19Å; E400-W420 HydrophobicContact CB-CH2 4.37Å; E400-W420 HydrophobicContact CB-CZ3 3.85Å; E400-W420 HydrophobicContact CG-CE3 4.29Å; E400-W420 HydrophobicContact CG-CH2 3.89Å; E400-W420 HydrophobicContact CG-CZ2 4.34Å; E400-W420 HydrophobicContact CG-CZ3 3.86Å |
| 401 | L | 98.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 140.4 | -178.6 | -50.4 | 178.3 | 0 | 0 | 0 | 109.9 | W342 W371 V385 R386 N387 R399 T418 V419 Q421 | W342-L401 HydrophobicContact CH2-CD1 3.74Å; W342-L401 HydrophobicContact CZ2-CD1 4.33Å; W371-L401 HydrophobicContact CB-CD1 4.4Å; V385-L401 HydrophobicContact CG1-CB 4.21Å; R386-L401 CarbonylContact O-C 3.57Å; R386-L401 VanDerWaalsContact O-CA 3.27Å; R386-L401 WeakPolarHBondContact O-CA 3.25Å; N387-L401 HydrophobicContact CB-CD2 3.79Å; R399-L401 HydrophobicContact CB-CD2 3.91Å; R399-L401 HydrophobicContact CB-CG 4.25Å; L401-T418 CarbonylContact O-C 3.58Å; L401-T418 VanDerWaalsContact O-CA 3.29Å; L401-T418 WeakPolarHBondContact O-CA 3.39Å; L401-V419 WeakPolarHBondContact CA-O 3.4Å; L401-V419 HydrophobicContact CB-CB 4.44Å; L401-V419 VanDerWaalsContact CB-O 3.28Å; L401-V419 WeakPolarHBondContact CB-O 3.14Å; L401-V419 PolarHBondContact N-O 2.91Å; L401-V419 PolarHBondContact O-N 3.33Å; L401-Q421 HydrophobicContact CD1-CB 3.95Å |
| 402 | K | 98.5 | Very high | 86.8 | Confident | 62 Ų | 62 | 60.1 Ų | 60.1 | 27% | 0.27 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 118.7 | 168.3 | -76.9 | 178.3 | 162.3 | -141.8 | 0 | 109.5 | V385 R386 V388 E416 | V385-K402 CarbonylContact C-O 3.55Å; V385-K402 VanDerWaalsContact CA-O 3.28Å; V385-K402 WeakPolarHBondContact CA-O 3.45Å; R386-K402 HydrophobicContact CB-CB 4.27Å; R386-K402 PolarHBondContact N-O 3.09Å; R386-K402 PolarHBondContact O-N 2.71Å; V388-K402 HydrophobicContact CG2-CB 4.34Å; V388-K402 HydrophobicContact CG2-CD 3.75Å; V388-K402 HydrophobicContact CG2-CG 3.73Å; K402-E416 HydrophobicContact CB-CG 4.16Å; K402-E416 HydrophobicContact CD-CG 4.46Å; K402-E416 HydrophobicContact CG-CG 4.41Å; K402-E416 IonicContact NZ-OE2 2.66Å; K402-E416 PolarHBondContact NZ-OE2 2.9Å |
| 403 | L | 98.3 | Very high | 85 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 132.5 | 179.7 | 172.8 | 64.8 | 0 | 0 | 0 | 109.6 | W342 V345 F346 M383 R384 V385 E416 R417 V419 | W342-L403 HydrophobicContact CE3-CD1 3.87Å; W342-L403 HydrophobicContact CE3-CD2 4.06Å; W342-L403 HydrophobicContact CE3-CG 4.5Å; W342-L403 HydrophobicContact CZ3-CD1 4.41Å; W342-L403 HydrophobicContact CZ3-CD2 4.29Å; V345-L403 HydrophobicContact CB-CD2 4.42Å; V345-L403 HydrophobicContact CG1-CD2 3.76Å; F346-L403 HydrophobicContact CB-CD2 4.09Å; F346-L403 HydrophobicContact CD2-CD2 4.08Å; F346-L403 HydrophobicContact CD2-CG 4.09Å; M383-L403 HydrophobicContact CB-CD1 4.13Å; R384-L403 WeakPolarHBondContact O-CA 3.45Å; V385-L403 HydrophobicContact CG2-CD1 3.78Å; L403-E416 CarbonylContact O-C 3.58Å; L403-E416 VanDerWaalsContact O-CA 3.3Å; L403-E416 WeakPolarHBondContact O-CA 3.43Å; L403-R417 PolarHBondContact N-O 3.33Å; L403-R417 PolarHBondContact O-N 3.44Å; L403-V419 HydrophobicContact CB-CG2 3.95Å; L403-V419 HydrophobicContact CD2-CG2 4.1Å |
| 404 | S | 95.7 | Very high | 83.9 | Confident | 15 Ų | 15 | 62.5 Ų | 62.5 | 11% | 0.105 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 161.3 | 174.8 | 56.7 | 0 | 0 | 0 | 0 | 110.9 | R384 | R384-S404 PolarHBondContact N-O 3.49Å; R384-S404 PolarHBondContact O-N 2.87Å |
| 405 | K | 92.8 | Very high | 83.5 | Confident | 44 Ų | 44 | 56.5 Ų | 56.5 | 19% | 0.191 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 130.5 | 173 | -165.8 | 167.9 | 179.5 | 177.7 | 0 | 110 | D294 F346 M383 G407 Q408 T415 | D294-K405 IonicContact OD2-NZ 2.94Å; F346-K405 HydrophobicContact CE1-CD 4.27Å; F346-K405 HydrophobicContact CE2-CB 4.2Å; F346-K405 HydrophobicContact CZ-CB 3.99Å; F346-K405 HydrophobicContact CZ-CD 4.46Å; M383-K405 HydrophobicContact SD-CB 4.44Å; M383-K405 HydrophobicContact SD-CG 4.43Å; K405-G407 PolarHBondContact O-N 3.34Å; K405-Q408 HydrophobicContact CB-CG 4.27Å; K405-Q408 HydrophobicContact CD-CG 4.22Å; K405-Q408 HydrophobicContact CG-CG 4.21Å; K405-T415 PolarHBondContact N-OG1 2.93Å |
| 406 | V | 90.2 | Very high | 83.4 | Confident | 50 Ų | 50 | 58.3 Ų | 58.3 | 30% | 0.303 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 136.7 | -179.9 | 177.7 | 0 | 0 | 0 | 0 | 109.9 | E379 V382 R384 Q408 | E379-V406 HydrophobicContact CG-CG2 4.29Å; V382-V406 PolarHBondContact O-N 2.73Å; R384-V406 HydrophobicContact CB-CG2 3.93Å; V406-Q408 VanDerWaalsContact C-N 3.29Å; V406-Q408 PolarHBondContact O-N 3.01Å |
| 407 | G | 78.3 | Confident | 83.3 | Confident | 50 Ų | 50 | 58 Ų | 58 | 52% | 0.515 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | -6.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | K405 | K405-G407 PolarHBondContact O-N 3.34Š|
| 408 | Q | 69.9 | Low | 83.3 | Confident | 41 Ų | 41 | 59.7 Ų | 59.7 | 19% | 0.192 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -85.1 | -13.3 | -176.1 | -76.3 | -151.6 | -30.9 | 0 | 0 | 116.1 | K405 V406 L410 L411 Q412 T415 | K405-Q408 HydrophobicContact CB-CG 4.27Å; K405-Q408 HydrophobicContact CD-CG 4.22Å; K405-Q408 HydrophobicContact CG-CG 4.21Å; V406-Q408 VanDerWaalsContact C-N 3.29Å; V406-Q408 PolarHBondContact O-N 3.01Å; Q408-L410 PolarHBondContact O-N 3.15Å; Q408-L411 PolarHBondContact O-N 2.72Å; Q408-L411 VanDerWaalsContact O-N 3.17Å; Q408-Q412 PolarHBondContact O-N 3.45Å; Q408-T415 HydrophobicContact CB-CG2 4.34Å |
| 409 | A | 59.4 | Low | 83.3 | Confident | 82 Ų | 82 | 58.4 Ų | 58.4 | 68% | 0.678 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -57.6 | -21.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 410 | L | 54.8 | Low | 83.3 | Confident | 161 Ų | 161 | 59.7 Ų | 59.7 | 84% | 0.843 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -94.6 | -13.5 | -176.4 | -66.9 | 168.9 | 0 | 0 | 0 | 114.5 | Q408 | Q408-L410 PolarHBondContact O-N 3.15Š|
| 411 | L | 55.9 | Low | 83.3 | Confident | 151 Ų | 151 | 57.1 Ų | 57.1 | 79% | 0.791 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.1 | -31.6 | -167.7 | -67.3 | 169.6 | 0 | 0 | 0 | 115.2 | Q408 | Q408-L411 PolarHBondContact O-N 2.72Å; Q408-L411 VanDerWaalsContact O-N 3.17Å |
| 412 | Q | 53.7 | Low | 83.3 | Confident | 149 Ų | 149 | 57.2 Ų | 57.2 | 70% | 0.696 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -139.2 | 17 | -170.5 | -78.4 | 172.8 | -11.6 | 0 | 0 | 114.4 | Q408 | Q408-Q412 PolarHBondContact O-N 3.45Š|
| 413 | G | 58.8 | Low | 83.3 | Confident | 41 Ų | 41 | 54.8 Ų | 54.8 | 42% | 0.423 | 31% | 0.313 | S | S | . | . | trans | 88.1 | 177.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | T415 | G413-T415 PolarHBondContact O-N 2.89Š| ||
| 414 | N | 73.9 | Confident | 83.3 | Confident | 127 Ų | 127 | 55 Ų | 55 | 68% | 0.679 | 31% | 0.314 | S | S | * | . | trans | -74.7 | 110.2 | -177.6 | -170.7 | 11.1 | 0 | 0 | 0 | 110.5 | E416 | N414-E416 VanDerWaalsContact C-N 3.27Å; N414-E416 WeakPolarHBondContact OD1-CB 3.33Å; N414-E416 PolarHBondContact OD1-N 3.01Å; N414-E416 VanDerWaalsContact OD1-N 3.07Å | ||
| 415 | T | 84.8 | Confident | 83.3 | Confident | 33 Ų | 33 | 58.6 Ų | 58.6 | 20% | 0.202 | 33% | 0.325 | C | S | . | . | trans | -87.7 | 6.3 | 174.7 | 59.3 | 0 | 0 | 0 | 0 | 113.4 | K405 Q408 G413 R417 | K405-T415 PolarHBondContact N-OG1 2.93Å; Q408-T415 HydrophobicContact CB-CG2 4.34Å; G413-T415 PolarHBondContact O-N 2.89Å; T415-R417 PolarHBondContact O-N 2.91Å | ||
| 416 | E | 93.8 | Very high | 83.4 | Confident | 75 Ų | 75 | 59.4 Ų | 59.4 | 35% | 0.35 | 33% | 0.334 | S | S | . | . | trans | -64.4 | 133.7 | 176.4 | -171.3 | 178 | -103.1 | 0 | 0 | 111 | K402 L403 N414 | K402-E416 HydrophobicContact CB-CG 4.16Å; K402-E416 HydrophobicContact CD-CG 4.46Å; K402-E416 HydrophobicContact CG-CG 4.41Å; K402-E416 IonicContact NZ-OE2 2.66Å; K402-E416 PolarHBondContact NZ-OE2 2.9Å; L403-E416 CarbonylContact O-C 3.58Å; L403-E416 VanDerWaalsContact O-CA 3.3Å; L403-E416 WeakPolarHBondContact O-CA 3.43Å; N414-E416 VanDerWaalsContact C-N 3.27Å; N414-E416 WeakPolarHBondContact OD1-CB 3.33Å; N414-E416 PolarHBondContact OD1-N 3.01Å; N414-E416 VanDerWaalsContact OD1-N 3.07Å | ||
| 417 | R | 96.4 | Very high | 83.6 | Confident | 31 Ų | 31 | 57.2 Ų | 57.2 | 12% | 0.117 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 152.7 | 171.2 | 71 | -165.7 | -160.3 | -152.7 | 9.6 | 111.5 | V345 F346 S350 L403 T415 V419 | V345-R417 VanDerWaalsContact C-NH2 3.26Å; V345-R417 PolarHBondContact O-NH2 3.19Å; F346-R417 PolarHBondContact O-NH1 3.46Å; F346-R417 PolarHBondContact O-NH2 2.92Å; S350-R417 PolarHBondContact O-NH2 2.72Å; L403-R417 PolarHBondContact N-O 3.33Å; L403-R417 PolarHBondContact O-N 3.44Å; T415-R417 PolarHBondContact O-N 2.91Å; R417-V419 HydrophobicContact CG-CG2 4.47Å |
| 418 | T | 98.6 | Very high | 84.2 | Confident | 42 Ų | 42 | 56.9 Ų | 56.9 | 26% | 0.258 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 133.5 | 175.3 | -51.9 | 0 | 0 | 0 | 0 | 110.6 | E400 L401 W420 | E400-T418 HydrophobicContact CG-CG2 3.66Å; L401-T418 CarbonylContact O-C 3.58Å; L401-T418 VanDerWaalsContact O-CA 3.29Å; L401-T418 WeakPolarHBondContact O-CA 3.39Å; T418-W420 HydrophobicContact CG2-CD2 4.26Å; T418-W420 HydrophobicContact CG2-CZ2 3.92Å |
| 419 | V | 98.9 | Very high | 84.4 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 122.3 | 172.8 | -179.3 | 0 | 0 | 0 | 0 | 107.8 | V345 R351 I353 L401 L403 R417 | V345-V419 HydrophobicContact CG1-CG1 4.37Å; V345-V419 HydrophobicContact CG1-CG2 4.24Å; R351-V419 CarbonylContact O-C 3.51Å; R351-V419 WeakPolarHBondContact O-CA 3.4Å; I353-V419 HydrophobicContact CD1-CG1 3.55Å; I353-V419 HydrophobicContact CG1-CG1 3.8Å; L401-V419 WeakPolarHBondContact CA-O 3.4Å; L401-V419 HydrophobicContact CB-CB 4.44Å; L401-V419 VanDerWaalsContact CB-O 3.28Å; L401-V419 WeakPolarHBondContact CB-O 3.14Å; L401-V419 PolarHBondContact N-O 2.91Å; L401-V419 PolarHBondContact O-N 3.33Å; L403-V419 HydrophobicContact CB-CG2 3.95Å; L403-V419 HydrophobicContact CD2-CG2 4.1Å; R417-V419 HydrophobicContact CG-CG2 4.47Å |
| 420 | W | 98.9 | Very high | 85.3 | Confident | 45 Ų | 45 | 58 Ų | 58 | 17% | 0.17 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 112.3 | -178.6 | -59.3 | 88.2 | 0 | 0 | 0 | 109.4 | R351 V352 I353 L398 E400 T418 Y422 K449 | R351-W420 PolarHBondContact O-N 3.09Å; V352-W420 WeakPolarHBondContact CA-O 3.45Å; I353-W420 PolarHBondContact N-O 3.39Å; L398-W420 HydrophobicContact CD1-CB 4.36Å; L398-W420 HydrophobicContact CD1-CE3 4.05Å; L398-W420 HydrophobicContact CD2-CE3 4.23Å; L398-W420 HydrophobicContact CD2-CZ3 4.36Å; L398-W420 HydrophobicContact CG-CE3 4.34Å; E400-W420 HydrophobicContact CB-CE3 4.19Å; E400-W420 HydrophobicContact CB-CH2 4.37Å; E400-W420 HydrophobicContact CB-CZ3 3.85Å; E400-W420 HydrophobicContact CG-CE3 4.29Å; E400-W420 HydrophobicContact CG-CH2 3.89Å; E400-W420 HydrophobicContact CG-CZ2 4.34Å; E400-W420 HydrophobicContact CG-CZ3 3.86Å; T418-W420 HydrophobicContact CG2-CD2 4.26Å; T418-W420 HydrophobicContact CG2-CZ2 3.92Å; W420-Y422 HydrophobicContact CB-CD2 4.3Å; W420-Y422 HydrophobicContact CB-CE2 3.85Å; W420-K449 HydrophobicContact CB-CG 4.13Å; W420-K449 HydrophobicContact CD2-CD 3.91Å; W420-K449 HydrophobicContact CD2-CG 4.41Å; W420-K449 HydrophobicContact CG-CD 3.82Å; W420-K449 HydrophobicContact CG-CG 3.88Å |
| 421 | Q | 98.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 116.3 | 176.3 | -171.4 | -146 | 26.8 | 0 | 0 | 110.1 | I353 Y370 W371 L398 R399 L401 | I353-Q421 HydrophobicContact CB-CB 4.47Å; I353-Q421 HydrophobicContact CB-CG 4.25Å; I353-Q421 HydrophobicContact CG2-CG 4.29Å; I353-Q421 CarbonylContact O-C 3.58Å; I353-Q421 WeakPolarHBondContact O-CA 3.11Å; Y370-Q421 PolarHBondContact OH-NE2 3.01Å; W371-Q421 VanDerWaalsContact CE3-NE2 3.32Å; L398-Q421 CarbonylContact C-O 3.58Å; L398-Q421 WeakPolarHBondContact CA-O 3.43Å; R399-Q421 HydrophobicContact CB-CB 4.24Å; R399-Q421 PolarHBondContact N-O 3.43Å; R399-Q421 PolarHBondContact O-N 3.39Å; L401-Q421 HydrophobicContact CD1-CB 3.95Å |
| 422 | Y | 98.9 | Very high | 88.7 | Confident | 3 Ų | 3 | 46 Ų | 46 | 1% | 0.012 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 107.6 | 174.3 | -78.4 | -94.7 | 0 | 0 | 0 | 109.3 | V352 I353 V354 M355 Y396 L398 W420 F442 E445 V446 K449 | V352-Y422 HydrophobicContact CG1-CD2 3.83Å; V352-Y422 HydrophobicContact CG1-CE2 4.14Å; I353-Y422 PolarHBondContact O-N 3.22Å; V354-Y422 CarbonylContact C-O 3.57Å; V354-Y422 WeakPolarHBondContact CA-O 3.23Å; M355-Y422 PolarHBondContact N-O 2.98Å; Y396-Y422 HydrophobicContact CD2-CD1 4.19Å; Y396-Y422 HydrophobicContact CE2-CD1 4.02Å; Y396-Y422 HydrophobicContact CE2-CE1 4.16Å; L398-Y422 HydrophobicContact CD1-CD1 4.07Å; L398-Y422 HydrophobicContact CD1-CD2 3.83Å; L398-Y422 HydrophobicContact CD1-CE1 3.85Å; L398-Y422 HydrophobicContact CD1-CE2 3.59Å; L398-Y422 HydrophobicContact CD1-CG 4.07Å; W420-Y422 HydrophobicContact CB-CD2 4.3Å; W420-Y422 HydrophobicContact CB-CE2 3.85Å; Y422-F442 HydrophobicContact CD1-CD2 4.25Å; Y422-F442 AromaticContact CD1-CE2 3.82Å; Y422-F442 HydrophobicContact CD1-CE2 3.82Å; Y422-F442 HydrophobicContact CG-CE2 4.15Å; Y422-E445 HydrophobicContact CE1-CB 4.02Å; Y422-E445 PolarHBondContact OH-O 3.32Å; Y422-V446 HydrophobicContact CD1-CG2 3.71Å; Y422-V446 HydrophobicContact CD2-CG2 3.97Å; Y422-V446 HydrophobicContact CE1-CG2 4.15Å; Y422-V446 HydrophobicContact CE2-CG2 4.39Å; Y422-V446 HydrophobicContact CG-CG2 3.6Å; Y422-K449 HydrophobicContact CE2-CB 4.17Å; Y422-K449 HydrophobicContact CE2-CG 4.06Å; Y422-K449 WeakPolarHBondContact OH-CB 3.28Å |
| 423 | H | 98.8 | Very high | 90.6 | Very high | 11 Ų | 11 | 39.8 Ų | 39.8 | 5% | 0.051 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 100.4 | -177.5 | 178.7 | -165.4 | 0 | 0 | 0 | 110.6 | M355 T357 Y396 T397 R399 R425 | M355-H423 HydrophobicContact CB-CB 4.33Å; M355-H423 CarbonylContact O-C 3.54Å; T357-H423 PolarHBondContact O-NE2 3.49Å; Y396-H423 CarbonylContact C-O 3.58Å; Y396-H423 WeakPolarHBondContact CA-O 3.34Å; Y396-H423 WeakPolarHBondContact CB-O 3.44Å; T397-H423 PolarHBondContact N-O 2.87Å; T397-H423 PolarHBondContact O-N 3.2Å; R399-H423 PolarHBondContact NH1-ND1 3.35Å; H423-R425 WeakPolarHBondContact O-CG 3.33Å |
| 424 | F | 98.2 | Very high | 92 | Very high | 5 Ų | 5 | 44.3 Ų | 44.3 | 2% | 0.022 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 126.4 | 176.9 | -163.8 | -92.1 | 0 | 0 | 0 | 110.8 | M355 D395 T426 W427 V439 F442 | M355-F424 PolarHBondContact O-N 2.82Å; D395-F424 HydrophobicContact CB-CD2 4.37Å; D395-F424 HydrophobicContact CB-CE2 3.73Å; D395-F424 HydrophobicContact CB-CZ 4.11Å; F424-T426 WeakPolarHBondContact CE1-OG1 3.34Å; F424-T426 VanDerWaalsContact CZ-OG1 3.32Å; F424-T426 WeakPolarHBondContact CZ-OG1 3.27Å; F424-W427 HydrophobicContact CD1-CB 3.95Å; F424-W427 HydrophobicContact CD1-CE3 4.41Å; F424-W427 HydrophobicContact CE1-CB 4.02Å; F424-W427 HydrophobicContact CE1-CE3 4.32Å; F424-V439 HydrophobicContact CE1-CG2 4.26Å; F424-V439 HydrophobicContact CE2-CG2 4.22Å; F424-V439 HydrophobicContact CZ-CG2 3.72Å; F424-F442 HydrophobicContact CB-CE1 4.06Å; F424-F442 HydrophobicContact CB-CE2 4.26Å; F424-F442 HydrophobicContact CB-CZ 3.91Å; F424-F442 HydrophobicContact CD2-CB 3.99Å; F424-F442 AromaticContact CD2-CD1 3.74Å; F424-F442 HydrophobicContact CD2-CD1 3.74Å; F424-F442 AromaticContact CD2-CD2 3.96Å; F424-F442 HydrophobicContact CD2-CD2 3.96Å; F424-F442 HydrophobicContact CD2-CE1 4.14Å; F424-F442 HydrophobicContact CD2-CE2 4.29Å; F424-F442 AromaticContact CD2-CG 3.63Å; F424-F442 HydrophobicContact CD2-CG 3.63Å; F424-F442 HydrophobicContact CD2-CZ 4.38Å; F424-F442 HydrophobicContact CE2-CB 4.04Å; F424-F442 HydrophobicContact CE2-CD1 4.42Å; F424-F442 HydrophobicContact CE2-CG 4.2Å; F424-F442 HydrophobicContact CG-CD1 4.47Å; F424-F442 HydrophobicContact CG-CE1 4.48Å |
| 425 | R | 96 | Very high | 92.8 | Very high | 89 Ų | 89 | 42.4 Ų | 42.4 | 34% | 0.336 | 23% | 0.234 | S | C | . | . | trans | -115.7 | -14 | -167.3 | -60.5 | -177.4 | -61.4 | 178.6 | -0.5 | 114.2 | K358 A393 D395 T397 H423 | K358-R425 WeakPolarHBondContact CE-O 3.45Å; K358-R425 PolarHBondContact NZ-O 3.3Å; K358-R425 VanDerWaalsContact NZ-O 3.15Å; A393-R425 PolarHBondContact O-NH2 2.89Å; D395-R425 PolarHBondContact O-N 3.37Å; T397-R425 WeakPolarHBondContact OG1-CD 3.33Å; T397-R425 PolarHBondContact OG1-NE 3.22Å; T397-R425 VanDerWaalsContact OG1-NE 3.13Å; T397-R425 PolarHBondContact OG1-NH1 3.46Å; H423-R425 WeakPolarHBondContact O-CG 3.33Å | ||
| 426 | T | 95.4 | Very high | 93.3 | Very high | 61 Ų | 61 | 41.3 Ų | 41.3 | 37% | 0.374 | 23% | 0.227 | S | C | . | . | trans | -100.3 | 5.8 | -173.7 | 52.8 | 0 | 0 | 0 | 0 | 113.7 | D395 F424 | D395-T426 HydrophobicContact CB-CG2 4.38Å; D395-T426 WeakPolarHBondContact CB-OG1 3.39Å; D395-T426 WeakPolarHBondContact OD1-CB 3.34Å; D395-T426 WeakPolarHBondContact OD1-CG2 3.48Å; D395-T426 PolarHBondContact OD1-OG1 3.31Å; F424-T426 WeakPolarHBondContact CE1-OG1 3.34Å; F424-T426 VanDerWaalsContact CZ-OG1 3.32Å; F424-T426 WeakPolarHBondContact CZ-OG1 3.27Å | ||
| 427 | W | 94.4 | Very high | 93.4 | Very high | 5 Ų | 5 | 38.1 Ų | 38.1 | 2% | 0.019 | 21% | 0.214 | C | C | . | . | trans | -64.8 | 129 | 171 | -159.4 | -66.7 | 0 | 0 | 0 | 109.7 | F424 G431 V432 P433 V439 R469 T472 F517 | F424-W427 HydrophobicContact CD1-CB 3.95Å; F424-W427 HydrophobicContact CD1-CE3 4.41Å; F424-W427 HydrophobicContact CE1-CB 4.02Å; F424-W427 HydrophobicContact CE1-CE3 4.32Å; W427-G431 PolarHBondContact NE1-O 3.49Å; W427-V432 HydrophobicContact CZ2-CG1 4.38Å; W427-P433 HydrophobicContact CD2-CG 4.17Å; W427-P433 HydrophobicContact CE3-CG 4.21Å; W427-V439 HydrophobicContact CZ3-CG2 4.3Å; W427-R469 VanDerWaalsContact CD1-CD 3.47Å; W427-R469 HydrophobicContact CD2-CG 4.13Å; W427-R469 HydrophobicContact CG-CG 4.42Å; W427-R469 HydrophobicContact CH2-CB 4.48Å; W427-R469 HydrophobicContact CZ2-CB 4.24Å; W427-R469 HydrophobicContact CZ2-CG 3.96Å; W427-T472 HydrophobicContact CH2-CG2 3.87Å; W427-F517 HydrophobicContact CH2-CE1 4.3Å | ||
| 428 | P | 90.2 | Very high | 93.2 | Very high | 43 Ų | 43 | 37.4 Ų | 37.4 | 28% | 0.279 | 22% | 0.217 | S | C | . | . | trans | -70.7 | 148.3 | -177.8 | 27.5 | -34.4 | 0 | 0 | 0 | 112.6 | H430 V432 R469 | P428-H430 PolarHBondContact O-N 2.93Å; P428-H430 VanDerWaalsContact O-N 3.12Å; P428-V432 VanDerWaalsContact CG-C 3.41Å; P428-V432 WeakPolarHBondContact CG-O 3.26Å; P428-R469 PolarHBondContact O-NH2 2.7Å | ||
| 429 | D | 72.9 | Confident | 93.1 | Very high | 54 Ų | 54 | 35.6 Ų | 35.6 | 29% | 0.289 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -56.6 | -33.8 | -179 | -67.4 | -4.5 | 0 | 0 | 0 | 112.7 | R362 R469 | R362-D429 HydrophobicContact CG-CB 4.11Å; R362-D429 WeakPolarHBondContact CG-OD2 3.46Å; D429-R469 PolarHBondContact O-NH2 3.24Å |
| 430 | H | 78.8 | Confident | 93 | Very high | 91 Ų | 91 | 36 Ų | 36 | 42% | 0.421 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -124.3 | 140.8 | 174 | -64.8 | -48.3 | 0 | 0 | 0 | 111 | T59 R362 P428 | T59-H430 WeakPolarHBondContact CB-ND1 3.44Å; T59-H430 WeakPolarHBondContact CG2-ND1 3.49Å; R362-H430 PolarHBondContact NH1-NE2 3.19Å; P428-H430 PolarHBondContact O-N 2.93Å; P428-H430 VanDerWaalsContact O-N 3.12Å |
| 431 | G | 88.8 | Confident | 92.9 | Very high | 24 Ų | 24 | 39.1 Ų | 39.1 | 25% | 0.247 | 23% | 0.228 | C | C | . | . | S | Bend | trans | 77.3 | -138.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | T59 W427 | T59-G431 PolarHBondContact O-N 3.1Å; W427-G431 PolarHBondContact NE1-O 3.49Å |
| 432 | V | 93.4 | Very high | 92.8 | Very high | 37 Ų | 37 | 39.2 Ų | 39.2 | 22% | 0.224 | 23% | 0.228 | C | C | . | . | trans | -135.3 | 156.1 | -170.6 | -64.4 | 0 | 0 | 0 | 0 | 110.5 | W427 P428 A513 Q514 F517 | W427-V432 HydrophobicContact CZ2-CG1 4.38Å; P428-V432 VanDerWaalsContact CG-C 3.41Å; P428-V432 WeakPolarHBondContact CG-O 3.26Å; V432-A513 HydrophobicContact CG1-CB 4.39Å; V432-A513 HydrophobicContact CG2-CB 4.44Å; V432-Q514 HydrophobicContact CG1-CB 4.29Å; V432-Q514 HydrophobicContact CG1-CG 3.71Å; V432-F517 HydrophobicContact CB-CB 3.99Å; V432-F517 HydrophobicContact CB-CD2 3.89Å; V432-F517 HydrophobicContact CB-CG 3.93Å; V432-F517 HydrophobicContact CG1-CB 3.85Å; V432-F517 HydrophobicContact CG1-CG 4.16Å; V432-F517 HydrophobicContact CG2-CB 4.09Å; V432-F517 HydrophobicContact CG2-CD2 4.03Å; V432-F517 HydrophobicContact CG2-CG 4.3Å | ||
| 433 | P | 93.9 | Very high | 92.7 | Very high | 18 Ų | 18 | 39 Ų | 39 | 12% | 0.117 | 23% | 0.228 | C | C | . | . | trans | -51.3 | 142.3 | 168.9 | -25.2 | 35.3 | 0 | 0 | 0 | 111.4 | W427 D435 V439 F517 | W427-P433 HydrophobicContact CD2-CG 4.17Å; W427-P433 HydrophobicContact CE3-CG 4.21Å; P433-D435 PolarHBondContact O-N 2.86Å; P433-V439 HydrophobicContact CG-CG2 4.01Å; P433-F517 HydrophobicContact CB-CE2 3.92Å; P433-F517 HydrophobicContact CB-CZ 4.06Å; P433-F517 HydrophobicContact CG-CE2 4.25Å; P433-F517 HydrophobicContact CG-CZ 4Å; P433-F517 VanDerWaalsContact O-CE2 3.3Å; P433-F517 WeakPolarHBondContact O-CE2 3.36Å | ||
| 434 | S | 89.3 | Confident | 92.6 | Very high | 136 Ų | 136 | 39.6 Ų | 39.6 | 95% | 0.951 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -69.7 | -25.5 | -180 | 52.6 | 0 | 0 | 0 | 0 | 113.1 | ||
| 435 | D | 90.3 | Very high | 92.6 | Very high | 88 Ų | 88 | 43.8 Ų | 43.8 | 47% | 0.471 | 25% | 0.25 | S | C | . | . | trans | -130.4 | 137.1 | 179 | 179.6 | 76.6 | 0 | 0 | 0 | 109.6 | P433 G437 | P433-D435 PolarHBondContact O-N 2.86Å; D435-G437 WeakPolarHBondContact OD2-CA 3.44Å; D435-G437 PolarHBondContact OD2-N 3.34Å | ||
| 436 | P | 95.1 | Very high | 92.6 | Very high | 9 Ų | 9 | 39.6 Ų | 39.6 | 6% | 0.058 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -80.1 | -13.9 | -178.4 | 32.1 | -35.6 | 0 | 0 | 0 | 114.2 | G438 V439 L440 F517 A521 H524 | P436-G438 PolarHBondContact O-N 2.69Å; P436-V439 PolarHBondContact O-N 3.2Å; P436-L440 HydrophobicContact CB-CD1 4.22Å; P436-L440 HydrophobicContact CB-CG 4.46Å; P436-L440 WeakPolarHBondContact O-CG 3.23Å; P436-L440 PolarHBondContact O-N 3.35Å; P436-F517 HydrophobicContact CB-CE2 4.11Å; P436-F517 HydrophobicContact CB-CZ 4.11Å; P436-A521 HydrophobicContact CB-CB 3.87Å; P436-H524 HydrophobicContact CG-CB 3.7Å |
| 437 | G | 94.6 | Very high | 92.7 | Very high | 8 Ų | 8 | 37.5 Ų | 37.5 | 8% | 0.082 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -53.9 | -49.9 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | D435 V439 L440 D441 | D435-G437 WeakPolarHBondContact OD2-CA 3.44Å; D435-G437 PolarHBondContact OD2-N 3.34Å; G437-V439 VanDerWaalsContact C-N 3.28Å; G437-V439 PolarHBondContact O-N 3.19Å; G437-L440 PolarHBondContact O-N 3.01Å; G437-L440 VanDerWaalsContact O-N 3.1Å; G437-D441 PolarHBondContact O-N 2.58Å |
| 438 | G | 94.3 | Very high | 92.8 | Very high | 17 Ų | 17 | 41.6 Ų | 41.6 | 18% | 0.175 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.1 | -31.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114 | P436 F442 | P436-G438 PolarHBondContact O-N 2.69Å; G438-F442 VanDerWaalsContact O-CB 3.25Å; G438-F442 WeakPolarHBondContact O-CB 3.19Å; G438-F442 PolarHBondContact O-N 3.41Å |
| 439 | V | 95.5 | Very high | 93.1 | Very high | 3 Ų | 3 | 41.9 Ų | 41.9 | 2% | 0.018 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -74.4 | -39.4 | 174.9 | 175.5 | 0 | 0 | 0 | 0 | 110.9 | F424 W427 P433 P436 G437 F442 L443 F517 | F424-V439 HydrophobicContact CE1-CG2 4.26Å; F424-V439 HydrophobicContact CE2-CG2 4.22Å; F424-V439 HydrophobicContact CZ-CG2 3.72Å; W427-V439 HydrophobicContact CZ3-CG2 4.3Å; P433-V439 HydrophobicContact CG-CG2 4.01Å; P436-V439 PolarHBondContact O-N 3.2Å; G437-V439 VanDerWaalsContact C-N 3.28Å; G437-V439 PolarHBondContact O-N 3.19Å; V439-F442 PolarHBondContact O-N 3.4Å; V439-L443 VanDerWaalsContact O-CB 3.27Å; V439-L443 WeakPolarHBondContact O-CB 3.26Å; V439-L443 PolarHBondContact O-N 3.36Å; V439-F517 HydrophobicContact CB-CE1 4.44Å; V439-F517 HydrophobicContact CB-CZ 4.23Å; V439-F517 HydrophobicContact CG1-CE1 4.39Å; V439-F517 HydrophobicContact CG2-CE1 4.21Å; V439-F517 HydrophobicContact CG2-CZ 3.87Å |
| 440 | L | 97 | Very high | 94.3 | Very high | 9 Ų | 9 | 40.2 Ų | 40.2 | 5% | 0.047 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66 | -46.5 | 178.6 | -68.9 | 173 | 0 | 0 | 0 | 111.7 | P436 G437 F442 L443 E444 I476 I480 A521 H524 | P436-L440 HydrophobicContact CB-CD1 4.22Å; P436-L440 HydrophobicContact CB-CG 4.46Å; P436-L440 WeakPolarHBondContact O-CG 3.23Å; P436-L440 PolarHBondContact O-N 3.35Å; G437-L440 PolarHBondContact O-N 3.01Å; G437-L440 VanDerWaalsContact O-N 3.1Å; L440-F442 VanDerWaalsContact C-N 3.3Å; L440-F442 PolarHBondContact O-N 2.74Å; L440-L443 PolarHBondContact O-N 2.98Å; L440-L443 VanDerWaalsContact O-N 3.12Å; L440-E444 PolarHBondContact O-N 3.21Å; L440-I476 HydrophobicContact CD2-CG2 4.3Å; L440-I480 HydrophobicContact CD2-CD1 3.4Å; L440-I480 VanDerWaalsContact CD2-CD1 3.4Å; L440-A521 WeakPolarHBondContact CD1-O 3.39Å; L440-A521 HydrophobicContact CD2-CB 4.18Å; L440-H524 HydrophobicContact CD1-CB 3.85Å; L440-H524 VanDerWaalsContact CD1-ND1 3.28Å; L440-H524 WeakPolarHBondContact CD1-ND1 3.39Å |
| 441 | D | 96.2 | Very high | 95 | Very high | 111 Ų | 111 | 42.3 Ų | 42.3 | 59% | 0.594 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -60.3 | -43.2 | 176.7 | -69.4 | -13.6 | 0 | 0 | 0 | 111 | G437 L443 E444 E445 | G437-D441 PolarHBondContact O-N 2.58Å; D441-L443 VanDerWaalsContact C-N 3.34Å; D441-L443 PolarHBondContact O-N 2.94Å; D441-E444 PolarHBondContact O-N 3.25Å; D441-E445 WeakPolarHBondContact O-CG 3Å; D441-E445 PolarHBondContact O-N 3.44Å |
| 442 | F | 97.4 | Very high | 95.4 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 0% | 0.004 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61 | -41.1 | 174.6 | 174 | -107.7 | 0 | 0 | 0 | 112.9 | V354 Y396 Y422 F424 G438 V439 L440 E445 V446 F473 | V354-F442 HydrophobicContact CG1-CE1 3.73Å; V354-F442 HydrophobicContact CG1-CZ 3.93Å; Y396-F442 HydrophobicContact CD1-CB 4.38Å; Y396-F442 AromaticContact CD1-CD2 3.56Å; Y396-F442 HydrophobicContact CD1-CD2 3.56Å; Y396-F442 HydrophobicContact CD1-CE2 4.32Å; Y396-F442 HydrophobicContact CD1-CG 4.43Å; Y396-F442 AromaticContact CD2-CD2 4Å; Y396-F442 HydrophobicContact CD2-CD2 4Å; Y396-F442 HydrophobicContact CD2-CE2 4.03Å; Y396-F442 HydrophobicContact CE1-CD2 4.14Å; Y396-F442 AromaticContact CG-CD2 3.47Å; Y396-F442 HydrophobicContact CG-CD2 3.47Å; Y396-F442 VanDerWaalsContact CG-CD2 3.47Å; Y396-F442 AromaticContact CG-CE2 3.77Å; Y396-F442 HydrophobicContact CG-CE2 3.77Å; Y422-F442 HydrophobicContact CD1-CD2 4.25Å; Y422-F442 AromaticContact CD1-CE2 3.82Å; Y422-F442 HydrophobicContact CD1-CE2 3.82Å; Y422-F442 HydrophobicContact CG-CE2 4.15Å; F424-F442 HydrophobicContact CB-CE1 4.06Å; F424-F442 HydrophobicContact CB-CE2 4.26Å; F424-F442 HydrophobicContact CB-CZ 3.91Å; F424-F442 HydrophobicContact CD2-CB 3.99Å; F424-F442 AromaticContact CD2-CD1 3.74Å; F424-F442 HydrophobicContact CD2-CD1 3.74Å; F424-F442 AromaticContact CD2-CD2 3.96Å; F424-F442 HydrophobicContact CD2-CD2 3.96Å; F424-F442 HydrophobicContact CD2-CE1 4.14Å; F424-F442 HydrophobicContact CD2-CE2 4.29Å; F424-F442 AromaticContact CD2-CG 3.63Å; F424-F442 HydrophobicContact CD2-CG 3.63Å; F424-F442 HydrophobicContact CD2-CZ 4.38Å; F424-F442 HydrophobicContact CE2-CB 4.04Å; F424-F442 HydrophobicContact CE2-CD1 4.42Å; F424-F442 HydrophobicContact CE2-CG 4.2Å; F424-F442 HydrophobicContact CG-CD1 4.47Å; F424-F442 HydrophobicContact CG-CE1 4.48Å; G438-F442 VanDerWaalsContact O-CB 3.25Å; G438-F442 WeakPolarHBondContact O-CB 3.19Å; G438-F442 PolarHBondContact O-N 3.41Å; V439-F442 PolarHBondContact O-N 3.4Å; L440-F442 VanDerWaalsContact C-N 3.3Å; L440-F442 PolarHBondContact O-N 2.74Å; F442-E445 PolarHBondContact O-N 3.45Å; F442-V446 HydrophobicContact CE1-CG2 4.34Å; F442-V446 HydrophobicContact CE2-CG2 4.47Å; F442-V446 HydrophobicContact CZ-CG2 4.26Å; F442-V446 WeakPolarHBondContact O-CG2 3.32Å; F442-V446 PolarHBondContact O-N 3.13Å; F442-V446 VanDerWaalsContact O-N 3.1Å; F442-F473 HydrophobicContact CD1-CD2 4.49Å; F442-F473 AromaticContact CD1-CE2 3.68Å; F442-F473 HydrophobicContact CD1-CE2 3.68Å; F442-F473 HydrophobicContact CD1-CZ 4.44Å; F442-F473 HydrophobicContact CE1-CD2 4.35Å; F442-F473 AromaticContact CE1-CE2 3.63Å; F442-F473 HydrophobicContact CE1-CE2 3.63Å; F442-F473 HydrophobicContact CE1-CZ 4.17Å |
| 443 | L | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.5 | -39.7 | 179.7 | -172.8 | 161.3 | 0 | 0 | 0 | 111.7 | V439 L440 D441 E445 V446 H447 F473 I476 D477 I480 | V439-L443 VanDerWaalsContact O-CB 3.27Å; V439-L443 WeakPolarHBondContact O-CB 3.26Å; V439-L443 PolarHBondContact O-N 3.36Å; L440-L443 PolarHBondContact O-N 2.98Å; L440-L443 VanDerWaalsContact O-N 3.12Å; D441-L443 VanDerWaalsContact C-N 3.34Å; D441-L443 PolarHBondContact O-N 2.94Å; L443-E445 VanDerWaalsContact C-N 3.34Å; L443-E445 PolarHBondContact O-N 2.92Å; L443-V446 PolarHBondContact O-N 3.21Å; L443-H447 WeakPolarHBondContact O-CB 3.22Å; L443-H447 PolarHBondContact O-N 3.09Å; L443-F473 HydrophobicContact CB-CE2 4.14Å; L443-F473 HydrophobicContact CB-CZ 4.39Å; L443-F473 HydrophobicContact CD1-CE2 4.29Å; L443-F473 HydrophobicContact CD1-CZ 4.5Å; L443-F473 HydrophobicContact CG-CE2 4.25Å; L443-F473 HydrophobicContact CG-CZ 4.18Å; L443-I476 HydrophobicContact CD1-CB 4.2Å; L443-I476 HydrophobicContact CD1-CG2 3.65Å; L443-D477 HydrophobicContact CD1-CB 3.82Å; L443-D477 HydrophobicContact CD2-CB 4.36Å; L443-D477 WeakPolarHBondContact CD2-OD1 3.44Å; L443-D477 HydrophobicContact CG-CB 4.16Å; L443-I480 HydrophobicContact CD1-CD1 4.19Å; L443-I480 HydrophobicContact CD2-CD1 4.17Å; L443-I480 HydrophobicContact CD2-CG2 4.31Å |
| 444 | E | 95.8 | Very high | 95.5 | Very high | 22 Ų | 22 | 51.4 Ų | 51.4 | 10% | 0.103 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.1 | -45.4 | 172.6 | -75.7 | -59.1 | 144.3 | 0 | 0 | 111.9 | L440 D441 V446 H447 H448 R484 Y525 | L440-E444 PolarHBondContact O-N 3.21Å; D441-E444 PolarHBondContact O-N 3.25Å; E444-V446 VanDerWaalsContact C-N 3.35Å; E444-V446 PolarHBondContact O-N 3.04Å; E444-H447 PolarHBondContact O-N 3.28Å; E444-H448 PolarHBondContact O-N 3.34Å; E444-H448 PolarHBondContact O-ND1 3.06Å; E444-H448 IonicContact OE2-CE1 3.85Å; E444-H448 PolarHBondContact OE2-CE1 3.49Å; E444-H448 VanDerWaalsContact OE2-CE1 3.24Å; E444-H448 IonicContact OE2-ND1 2.71Å; E444-H448 IonicContact OE2-NE2 3.95Å; E444-R484 IonicContact OE1-CZ 3.7Å; E444-R484 IonicContact OE1-NH1 3.9Å; E444-R484 IonicContact OE1-NH2 2.79Å; E444-R484 PolarHBondContact OE1-NH2 3Å; E444-R484 IonicContact OE2-CZ 2.95Å; E444-R484 IonicContact OE2-NH1 3Å; E444-R484 PolarHBondContact OE2-NH1 3.38Å; E444-R484 IonicContact OE2-NH2 3.37Å; E444-R484 PolarHBondContact OE2-NH2 2.96Å; E444-Y525 WeakPolarHBondContact OE1-CE2 3.37Å |
| 445 | E | 97.7 | Very high | 95.6 | Very high | 94 Ų | 94 | 51.1 Ų | 51.1 | 44% | 0.439 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 177.4 | -71.1 | -62.3 | 137.9 | 0 | 0 | 112.1 | Y422 D441 F442 L443 K449 | Y422-E445 HydrophobicContact CE1-CB 4.02Å; Y422-E445 PolarHBondContact OH-O 3.32Å; D441-E445 WeakPolarHBondContact O-CG 3Å; D441-E445 PolarHBondContact O-N 3.44Å; F442-E445 PolarHBondContact O-N 3.45Å; L443-E445 VanDerWaalsContact C-N 3.34Å; L443-E445 PolarHBondContact O-N 2.92Å; E445-K449 VanDerWaalsContact O-CB 3.31Å; E445-K449 WeakPolarHBondContact O-CB 3.29Å; E445-K449 PolarHBondContact O-N 2.89Å |
| 446 | V | 98.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 174.4 | 165.8 | 0 | 0 | 0 | 0 | 111.1 | V352 V354 Y422 F442 L443 E444 K449 Q450 V459 F473 | V352-V446 HydrophobicContact CG1-CG1 4.1Å; V354-V446 HydrophobicContact CG2-CG1 3.85Å; V354-V446 HydrophobicContact CG2-CG2 3.94Å; Y422-V446 HydrophobicContact CD1-CG2 3.71Å; Y422-V446 HydrophobicContact CD2-CG2 3.97Å; Y422-V446 HydrophobicContact CE1-CG2 4.15Å; Y422-V446 HydrophobicContact CE2-CG2 4.39Å; Y422-V446 HydrophobicContact CG-CG2 3.6Å; F442-V446 HydrophobicContact CE1-CG2 4.34Å; F442-V446 HydrophobicContact CE2-CG2 4.47Å; F442-V446 HydrophobicContact CZ-CG2 4.26Å; F442-V446 WeakPolarHBondContact O-CG2 3.32Å; F442-V446 PolarHBondContact O-N 3.13Å; F442-V446 VanDerWaalsContact O-N 3.1Å; L443-V446 PolarHBondContact O-N 3.21Å; E444-V446 VanDerWaalsContact C-N 3.35Å; E444-V446 PolarHBondContact O-N 3.04Å; V446-K449 PolarHBondContact O-N 3.1Å; V446-Q450 PolarHBondContact O-N 2.62Å; V446-V459 HydrophobicContact CG1-CG1 4.46Å; V446-F473 HydrophobicContact CG1-CZ 4.34Å |
| 447 | H | 95.8 | Very high | 96 | Very high | 17 Ų | 17 | 48.3 Ų | 48.3 | 8% | 0.079 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.3 | -54.7 | -180 | 176.5 | 96.8 | 0 | 0 | 0 | 111.1 | K325 L443 E444 K449 Q450 E451 D481 R484 | K325-H447 PolarHBondContact NZ-ND1 3.28Å; L443-H447 WeakPolarHBondContact O-CB 3.22Å; L443-H447 PolarHBondContact O-N 3.09Å; E444-H447 PolarHBondContact O-N 3.28Å; H447-K449 VanDerWaalsContact C-N 3.27Å; H447-K449 PolarHBondContact O-N 3.13Å; H447-Q450 PolarHBondContact O-N 2.86Å; H447-Q450 VanDerWaalsContact O-N 3.14Å; H447-E451 IonicContact NE2-OE2 2.8Å; H447-E451 PolarHBondContact O-N 3.46Å; H447-D481 IonicContact CE1-OD1 3.95Å; H447-D481 PolarHBondContact CE1-OD1 3.14Å; H447-D481 IonicContact ND1-OD1 3.65Å; H447-D481 PolarHBondContact ND1-OD1 2.9Å; H447-R484 PolarHBondContact CE1-NE 2.82Å; H447-R484 WeakPolarHBondContact NE2-CD 3.41Å; H447-R484 PolarHBondContact NE2-NE 2.99Å |
| 448 | H | 96.5 | Very high | 96.1 | Very high | 90 Ų | 90 | 48.5 Ų | 48.5 | 42% | 0.417 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.3 | -37.1 | 179.8 | -67.1 | 117.4 | 0 | 0 | 0 | 112 | E444 E451 S452 | E444-H448 PolarHBondContact O-N 3.34Å; E444-H448 PolarHBondContact O-ND1 3.06Å; E444-H448 IonicContact OE2-CE1 3.85Å; E444-H448 PolarHBondContact OE2-CE1 3.49Å; E444-H448 VanDerWaalsContact OE2-CE1 3.24Å; E444-H448 IonicContact OE2-ND1 2.71Å; E444-H448 IonicContact OE2-NE2 3.95Å; H448-E451 PolarHBondContact O-N 3.13Å; H448-S452 WeakPolarHBondContact O-CB 3.4Å; H448-S452 PolarHBondContact O-N 2.75Å; H448-S452 PolarHBondContact O-OG 2.8Å |
| 449 | K | 98 | Very high | 96.3 | Very high | 50 Ų | 50 | 47.7 Ų | 47.7 | 22% | 0.217 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.4 | -47.2 | 175.1 | -176.8 | 56.5 | 58.7 | 176 | 0 | 111.6 | V352 W420 Y422 E445 V446 H447 S452 I453 | V352-K449 HydrophobicContact CG2-CG 4Å; W420-K449 HydrophobicContact CB-CG 4.13Å; W420-K449 HydrophobicContact CD2-CD 3.91Å; W420-K449 HydrophobicContact CD2-CG 4.41Å; W420-K449 HydrophobicContact CG-CD 3.82Å; W420-K449 HydrophobicContact CG-CG 3.88Å; Y422-K449 HydrophobicContact CE2-CB 4.17Å; Y422-K449 HydrophobicContact CE2-CG 4.06Å; Y422-K449 WeakPolarHBondContact OH-CB 3.28Å; E445-K449 VanDerWaalsContact O-CB 3.31Å; E445-K449 WeakPolarHBondContact O-CB 3.29Å; E445-K449 PolarHBondContact O-N 2.89Å; V446-K449 PolarHBondContact O-N 3.1Å; H447-K449 VanDerWaalsContact C-N 3.27Å; H447-K449 PolarHBondContact O-N 3.13Å; K449-S452 PolarHBondContact O-N 3.42Å; K449-S452 PolarHBondContact O-OG 3.15Å; K449-I453 HydrophobicContact CD-CD1 4.07Å; K449-I453 HydrophobicContact CG-CD1 4.27Å; K449-I453 WeakPolarHBondContact O-CD1 3.4Å; K449-I453 WeakPolarHBondContact O-CG1 3.38Å |
| 450 | Q | 96.9 | Very high | 96.5 | Very high | 19 Ų | 19 | 47.6 Ų | 47.6 | 9% | 0.089 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.6 | -45.7 | 178.6 | 178.1 | 67.6 | 11.9 | 0 | 0 | 111.3 | K325 V352 V446 H447 S452 I453 A456 G457 V459 | K325-Q450 HydrophobicContact CD-CG 4.01Å; K325-Q450 HydrophobicContact CG-CG 4.22Å; V352-Q450 HydrophobicContact CG2-CB 4.28Å; V446-Q450 PolarHBondContact O-N 2.62Å; H447-Q450 PolarHBondContact O-N 2.86Å; H447-Q450 VanDerWaalsContact O-N 3.14Å; Q450-S452 VanDerWaalsContact C-N 3.32Å; Q450-S452 PolarHBondContact O-N 3.22Å; Q450-I453 PolarHBondContact O-N 3.44Å; Q450-A456 VanDerWaalsContact NE2-CB 3.33Å; Q450-G457 PolarHBondContact NE2-O 2.9Å; Q450-V459 HydrophobicContact CB-CG2 4.29Å; Q450-V459 HydrophobicContact CG-CG2 3.88Å |
| 451 | E | 94.3 | Very high | 96.6 | Very high | 134 Ų | 134 | 47.1 Ų | 47.1 | 63% | 0.626 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -65.4 | -34.3 | -179.4 | -168.2 | -178.8 | -157.5 | 0 | 0 | 112.6 | H447 H448 I453 | H447-E451 IonicContact NE2-OE2 2.8Å; H447-E451 PolarHBondContact O-N 3.46Å; H448-E451 PolarHBondContact O-N 3.13Å; E451-I453 PolarHBondContact O-N 2.97Å |
| 452 | S | 96.6 | Very high | 96.7 | Very high | 83 Ų | 83 | 41.9 Ų | 41.9 | 58% | 0.58 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -14.5 | 178.7 | 72.9 | 0 | 0 | 0 | 0 | 114.4 | H448 K449 Q450 | H448-S452 WeakPolarHBondContact O-CB 3.4Å; H448-S452 PolarHBondContact O-N 2.75Å; H448-S452 PolarHBondContact O-OG 2.8Å; K449-S452 PolarHBondContact O-N 3.42Å; K449-S452 PolarHBondContact O-OG 3.15Å; Q450-S452 VanDerWaalsContact C-N 3.32Å; Q450-S452 PolarHBondContact O-N 3.22Å |
| 453 | I | 95.8 | Very high | 96.7 | Very high | 31 Ų | 31 | 41.9 Ų | 41.9 | 16% | 0.159 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -104.9 | 111.4 | -174.9 | -56.6 | 165.4 | 0 | 0 | 0 | 109.6 | R351 K449 Q450 E451 D455 A456 | R351-I453 HydrophobicContact CB-CD1 3.84Å; R351-I453 HydrophobicContact CB-CG2 4.32Å; R351-I453 HydrophobicContact CG-CG2 3.94Å; K449-I453 HydrophobicContact CD-CD1 4.07Å; K449-I453 HydrophobicContact CG-CD1 4.27Å; K449-I453 WeakPolarHBondContact O-CD1 3.4Å; K449-I453 WeakPolarHBondContact O-CG1 3.38Å; Q450-I453 PolarHBondContact O-N 3.44Å; E451-I453 PolarHBondContact O-N 2.97Å; I453-D455 PolarHBondContact O-N 2.82Å; I453-A456 HydrophobicContact CB-CB 4Å; I453-A456 HydrophobicContact CG2-CB 3.96Å; I453-A456 WeakPolarHBondContact O-CB 3.31Å; I453-A456 PolarHBondContact O-N 2.95Å |
| 454 | M | 93 | Very high | 96.7 | Very high | 156 Ų | 156 | 41.9 Ų | 41.9 | 77% | 0.768 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 134.3 | 176.4 | -170 | 174 | 67.8 | 0 | 0 | 111.5 | A456 | M454-A456 PolarHBondContact O-N 2.77Å; M454-A456 VanDerWaalsContact O-N 3.11Å |
| 455 | D | 91.9 | Very high | 96.7 | Very high | 130 Ų | 130 | 40.9 Ų | 40.9 | 70% | 0.695 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 30.2 | 178.9 | -53 | -43.8 | 0 | 0 | 0 | 114.1 | N349 I453 G457 | N349-D455 PolarHBondContact ND2-O 2.8Å; I453-D455 PolarHBondContact O-N 2.82Å; D455-G457 PolarHBondContact O-N 3.43Å |
| 456 | A | 96 | Very high | 96.8 | Very high | 24 Ų | 24 | 36.4 Ų | 36.4 | 20% | 0.198 | 19% | 0.194 | C | C | . | . | trans | -62 | 132.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111 | R351 Q450 I453 M454 | R351-A456 HydrophobicContact CB-CB 4.04Å; R351-A456 HydrophobicContact CG-CB 3.63Å; Q450-A456 VanDerWaalsContact NE2-CB 3.33Å; I453-A456 HydrophobicContact CB-CB 4Å; I453-A456 HydrophobicContact CG2-CB 3.96Å; I453-A456 WeakPolarHBondContact O-CB 3.31Å; I453-A456 PolarHBondContact O-N 2.95Å; M454-A456 PolarHBondContact O-N 2.77Å; M454-A456 VanDerWaalsContact O-N 3.11Å | ||
| 457 | G | 97 | Very high | 96.7 | Very high | 14 Ų | 14 | 36.4 Ų | 36.4 | 14% | 0.144 | 19% | 0.194 | C | C | . | . | trans | -68.3 | -175.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | E348 N349 Q450 D455 | E348-G457 WeakPolarHBondContact O-CA 3.36Å; N349-G457 PolarHBondContact O-N 2.98Å; Q450-G457 PolarHBondContact NE2-O 2.9Å; D455-G457 PolarHBondContact O-N 3.43Å | ||
| 458 | P | 98.3 | Very high | 96.8 | Very high | 13 Ų | 13 | 35.6 Ų | 35.6 | 8% | 0.084 | 19% | 0.19 | C | C | . | . | P | Polyproline II helix | trans | -59.2 | 146.8 | -177.2 | 25.3 | -36 | 0 | 0 | 0 | 112.7 | S326 I328 E348 S350 V460 | S326-P458 CarbonylContact O-C 3.55Å; S326-P458 VanDerWaalsContact O-CA 3.23Å; S326-P458 WeakPolarHBondContact O-CA 3.47Å; S326-P458 WeakPolarHBondContact O-CB 3.46Å; S326-P458 WeakPolarHBondContact OG-CB 3.49Å; I328-P458 HydrophobicContact CD1-CB 4.44Å; I328-P458 HydrophobicContact CD1-CG 3.67Å; I328-P458 HydrophobicContact CG1-CB 3.88Å; I328-P458 HydrophobicContact CG1-CG 3.63Å; E348-P458 HydrophobicContact CB-CG 4.2Å; E348-P458 WeakPolarHBondContact O-CD 3.4Å; S350-P458 VanDerWaalsContact CB-O 3.26Å; S350-P458 WeakPolarHBondContact CB-O 3.49Å; S350-P458 PolarHBondContact OG-O 2.74Å; P458-V460 PolarHBondContact O-N 2.94Å |
| 459 | V | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 122.8 | 174.1 | -178.7 | 0 | 0 | 0 | 0 | 109 | K325 S326 Y327 I328 V352 V354 V446 Q450 V461 | K325-V459 HydrophobicContact CD-CG2 4.18Å; K325-V459 HydrophobicContact CG-CG2 4.21Å; S326-V459 PolarHBondContact O-N 2.82Å; Y327-V459 CarbonylContact C-O 3.51Å; Y327-V459 VanDerWaalsContact CA-O 3.26Å; Y327-V459 WeakPolarHBondContact CA-O 3.26Å; Y327-V459 HydrophobicContact CD1-CB 4.16Å; I328-V459 PolarHBondContact N-O 2.87Å; V352-V459 HydrophobicContact CB-CG1 4.21Å; V352-V459 HydrophobicContact CB-CG2 4.39Å; V352-V459 HydrophobicContact CG1-CG1 4.1Å; V354-V459 HydrophobicContact CG2-CG1 3.86Å; V446-V459 HydrophobicContact CG1-CG1 4.46Å; Q450-V459 HydrophobicContact CB-CG2 4.29Å; Q450-V459 HydrophobicContact CG-CG2 3.88Å; V459-V461 HydrophobicContact CG1-CG2 4.08Å |
| 460 | V | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 120.8 | 177.6 | 179.5 | 0 | 0 | 0 | 0 | 108.9 | I328 T330 F341 M344 V345 S350 V352 I353 V354 P458 | I328-V460 HydrophobicContact CB-CG2 4.18Å; I328-V460 HydrophobicContact CD1-CG2 4.23Å; I328-V460 HydrophobicContact CG1-CG2 4.48Å; T330-V460 HydrophobicContact CG2-CG1 3.87Å; F341-V460 HydrophobicContact CE2-CG1 3.89Å; F341-V460 HydrophobicContact CZ-CG1 4.15Å; M344-V460 HydrophobicContact CE-CG1 3.83Å; M344-V460 HydrophobicContact CE-CG2 4.14Å; V345-V460 HydrophobicContact CG2-CG2 4.32Å; S350-V460 WeakPolarHBondContact OG-CG2 3.39Å; V352-V460 PolarHBondContact O-N 3.49Å; I353-V460 CarbonylContact C-O 3.54Å; I353-V460 WeakPolarHBondContact CA-O 3.44Å; I353-V460 HydrophobicContact CG1-CB 4.22Å; I353-V460 HydrophobicContact CG2-CB 4.46Å; I353-V460 HydrophobicContact CG2-CG1 4.47Å; V354-V460 PolarHBondContact N-O 3.43Å; P458-V460 PolarHBondContact O-N 2.94Å |
| 461 | V | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 125.9 | 179.8 | -169.6 | 0 | 0 | 0 | 0 | 109.5 | Y327 I328 T330 V354 V459 T470 F473 I474 | Y327-V461 HydrophobicContact CD1-CG2 4.29Å; I328-V461 PolarHBondContact O-N 2.97Å; T330-V461 PolarHBondContact N-O 3.34Å; T330-V461 VanDerWaalsContact N-O 3.09Å; V354-V461 HydrophobicContact CB-CB 4.42Å; V354-V461 HydrophobicContact CB-CG1 4.14Å; V354-V461 HydrophobicContact CB-CG2 4.17Å; V354-V461 HydrophobicContact CG1-CG1 4.11Å; V354-V461 WeakPolarHBondContact O-CA 3.34Å; V459-V461 HydrophobicContact CG1-CG2 4.08Å; V461-T470 HydrophobicContact CB-CG2 4.04Å; V461-T470 HydrophobicContact CG1-CG2 3.88Å; V461-T470 WeakPolarHBondContact O-CG2 3.4Å; V461-F473 HydrophobicContact CG1-CB 4.42Å; V461-F473 HydrophobicContact CG1-CD1 3.84Å; V461-F473 HydrophobicContact CG1-CG 4.37Å; V461-F473 HydrophobicContact CG2-CD1 4.17Å; V461-F473 HydrophobicContact CG2-CE1 4.35Å; V461-I474 HydrophobicContact CB-CD1 4.08Å; V461-I474 HydrophobicContact CB-CG1 4.16Å; V461-I474 HydrophobicContact CG1-CG1 4.33Å; V461-I474 HydrophobicContact CG2-CD1 4.2Å; V461-I474 HydrophobicContact CG2-CG1 3.93Å |
| 462 | H | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 157.6 | 179.7 | 77.8 | 87.7 | 0 | 0 | 0 | 113.5 | T330 V354 M355 T356 Y370 T470 | T330-H462 HydrophobicContact CG2-CB 3.57Å; T330-H462 WeakPolarHBondContact O-CA 3.33Å; T330-H462 WeakPolarHBondContact O-CB 3.07Å; V354-H462 PolarHBondContact O-N 2.95Å; M355-H462 WeakPolarHBondContact CG-CE1 3.46Å; T356-H462 PolarHBondContact N-O 3.42Å; T356-H462 PolarHBondContact OG1-O 3.5Å; Y370-H462 AromaticContact CE1-CE1 3.7Å; Y370-H462 AromaticContact CE1-NE2 3.5Å; Y370-H462 WeakPolarHBondContact CE1-NE2 3.5Å; Y370-H462 AromaticContact CZ-NE2 3.54Å; Y370-H462 PolarHBondContact OH-NE2 3.49Å; H462-T470 WeakPolarHBondContact CA-OG1 3.39Å |
| 463 | C | 97.1 | Very high | 97.3 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.007 | 10% | 0.1 | C | C | . | . | trans | -137.8 | -122.3 | 173.5 | 58.9 | 0 | 0 | 0 | 0 | 109.3 | G332 T356 G466 R469 T470 | G332-C463 WeakPolarHBondContact CA-O 3.36Å; G332-C463 PolarHBondContact N-O 2.76Å; G332-C463 VanDerWaalsContact N-O 3.1Å; T356-C463 WeakPolarHBondContact OG1-CB 3.46Å; C463-G466 PolarHBondContact SG-N 2.94Å; C463-R469 HydrophobicContact CB-CB 4.08Å; C463-T470 PolarHBondContact N-OG1 3.44Å; C463-T470 PolarHBondContact SG-OG1 2.83Å | ||
| 464 | S | 96.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -90.7 | -69.8 | 170.2 | -167.7 | 0 | 0 | 0 | 0 | 112 | R278 Y279 Q331 G332 | R278-S464 WeakPolarHBondContact CD-O 3.29Å; Y279-S464 PolarHBondContact OH-OG 3.06Å; Q331-S464 WeakPolarHBondContact CB-O 3.49Å; G332-S464 PolarHBondContact N-O 2.82Å |
| 465 | A | 96.9 | Very high | 97.7 | Very high | 1 Ų | 1 | 9 Ų | 9 | 1% | 0.008 | 6% | 0.056 | C | C | . | . | S | Bend | trans | -85.3 | -15.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y62 Y279 I282 I467 R505 | Y62-A465 HydrophobicContact CD1-CB 4.36Å; Y279-A465 HydrophobicContact CD2-CB 3.72Å; Y279-A465 HydrophobicContact CE2-CB 3.66Å; I282-A465 HydrophobicContact CD1-CB 3.88Å; I282-A465 HydrophobicContact CG2-CB 4.38Å; A465-I467 HydrophobicContact CB-CD1 4.32Å; A465-I467 HydrophobicContact CB-CG1 3.99Å; A465-R505 PolarHBondContact O-NH2 3.12Å |
| 466 | G | 97.8 | Very high | 98 | Very high | 0 Ų | 0 | 2.9 Ų | 2.9 | 0% | 0 | 2% | 0.022 | C | C | . | . | S | Bend | trans | 75.3 | 28.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | T330 C463 R505 | T330-G466 WeakPolarHBondContact O-CA 3.47Å; C463-G466 PolarHBondContact SG-N 2.94Å; G466-R505 PolarHBondContact O-NE 2.88Å |
| 467 | I | 97.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 1.7 Ų | 1.7 | 1% | 0.005 | 1% | 0.013 | C | C | . | . | S | Bend | trans | -132.1 | -43.3 | -176.1 | 64.5 | 177.4 | 0 | 0 | 0 | 113.5 | D61 A72 I282 A465 G471 R505 S506 M508 V509 Q510 | D61-I467 WeakPolarHBondContact O-CD1 3.39Å; D61-I467 VanDerWaalsContact O-CG1 3.31Å; D61-I467 WeakPolarHBondContact O-CG1 3.29Å; A72-I467 HydrophobicContact CB-CD1 3.73Å; I282-I467 HydrophobicContact CD1-CD1 4.23Å; I282-I467 HydrophobicContact CG2-CD1 4.13Å; I282-I467 HydrophobicContact CG2-CG2 4.2Å; A465-I467 HydrophobicContact CB-CD1 4.32Å; A465-I467 HydrophobicContact CB-CG1 3.99Å; I467-G471 WeakPolarHBondContact O-CA 3.47Å; I467-G471 PolarHBondContact O-N 2.96Å; I467-R505 HydrophobicContact CG2-CG 4.33Å; I467-S506 WeakPolarHBondContact CG2-O 3.32Å; I467-M508 HydrophobicContact CB-SD 4.48Å; I467-M508 WeakPolarHBondContact O-CA 3.38Å; I467-V509 PolarHBondContact O-N 3.42Å; I467-Q510 HydrophobicContact CD1-CG 4.18Å; I467-Q510 HydrophobicContact CG1-CG 3.98Å |
| 468 | G | 96.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 1.3 Ų | 1.3 | 0% | 0 | 1% | 0.007 | C | C | . | . | H | α-helix | trans | -73.3 | -90.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | G60 T470 G471 T472 | G60-G468 VanDerWaalsContact O-CA 3.26Å; G60-G468 WeakPolarHBondContact O-CA 3.49Å; G468-T470 PolarHBondContact O-N 3.32Å; G468-G471 PolarHBondContact O-N 2.78Å; G468-T472 PolarHBondContact O-N 3.32Å; G468-T472 PolarHBondContact O-OG1 2.94Å; G468-T472 VanDerWaalsContact O-OG1 3.13Å |
| 469 | R | 98.1 | Very high | 98 | Very high | 4 Ų | 4 | 0.7 Ų | 0.7 | 2% | 0.015 | 0% | 0.003 | C | C | . | . | H | α-helix | trans | -55.1 | -39.6 | 178.7 | -54.6 | -177.5 | -172 | 165.8 | 5 | 112.5 | T356 E361 W427 P428 D429 C463 T472 F473 | T356-R469 WeakPolarHBondContact O-CD 3.43Å; T356-R469 PolarHBondContact O-NH1 3.39Å; T356-R469 VanDerWaalsContact O-NH1 3.07Å; E361-R469 IonicContact OE1-CZ 3.98Å; E361-R469 IonicContact OE1-NH1 3.5Å; E361-R469 PolarHBondContact OE1-NH1 3.03Å; E361-R469 IonicContact OE1-NH2 3.39Å; E361-R469 IonicContact OE2-CZ 2.96Å; E361-R469 IonicContact OE2-NH1 3.67Å; E361-R469 PolarHBondContact OE2-NH1 3.18Å; E361-R469 IonicContact OE2-NH2 3.47Å; E361-R469 PolarHBondContact OE2-NH2 2.78Å; W427-R469 VanDerWaalsContact CD1-CD 3.47Å; W427-R469 HydrophobicContact CD2-CG 4.13Å; W427-R469 HydrophobicContact CG-CG 4.42Å; W427-R469 HydrophobicContact CH2-CB 4.48Å; W427-R469 HydrophobicContact CZ2-CB 4.24Å; W427-R469 HydrophobicContact CZ2-CG 3.96Å; P428-R469 PolarHBondContact O-NH2 2.7Å; D429-R469 PolarHBondContact O-NH2 3.24Å; C463-R469 HydrophobicContact CB-CB 4.08Å; R469-T472 PolarHBondContact O-N 3.23Å; R469-F473 WeakPolarHBondContact O-CB 3.3Å; R469-F473 PolarHBondContact O-N 3.13Å |
| 470 | T | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 0.7 Ų | 0.7 | 0% | 0 | 0% | 0.003 | C | C | . | . | H | α-helix | trans | -58.4 | -48.4 | 173.7 | -63.9 | 0 | 0 | 0 | 0 | 111.9 | A329 V461 H462 C463 G468 F473 I474 M508 | A329-T470 HydrophobicContact CB-CG2 3.77Å; V461-T470 HydrophobicContact CB-CG2 4.04Å; V461-T470 HydrophobicContact CG1-CG2 3.88Å; V461-T470 WeakPolarHBondContact O-CG2 3.4Å; H462-T470 WeakPolarHBondContact CA-OG1 3.39Å; C463-T470 PolarHBondContact N-OG1 3.44Å; C463-T470 PolarHBondContact SG-OG1 2.83Å; G468-T470 PolarHBondContact O-N 3.32Å; T470-F473 PolarHBondContact O-N 3.24Å; T470-I474 HydrophobicContact CG2-CD1 3.89Å; T470-I474 WeakPolarHBondContact O-CB 3.28Å; T470-I474 WeakPolarHBondContact O-CG1 3.4Å; T470-I474 PolarHBondContact O-N 3.01Å; T470-M508 HydrophobicContact CG2-CE 4.43Å |
| 471 | G | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 2.2 Ų | 2.2 | 0% | 0 | 1% | 0.011 | C | C | . | . | H | α-helix | trans | -66.9 | -39.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I467 G468 I474 V475 M508 | I467-G471 WeakPolarHBondContact O-CA 3.47Å; I467-G471 PolarHBondContact O-N 2.96Å; G468-G471 PolarHBondContact O-N 2.78Å; G471-I474 PolarHBondContact O-N 3.34Å; G471-V475 WeakPolarHBondContact O-CB 3.44Å; G471-V475 WeakPolarHBondContact O-CG2 3.18Å; G471-V475 PolarHBondContact O-N 2.81Å; G471-M508 VanDerWaalsContact CA-CE 3.44Å |
| 472 | T | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 3.5 Ų | 3.5 | 0% | 0 | 2% | 0.018 | C | C | . | . | H | α-helix | trans | -59.7 | -49.7 | 174.8 | -55.8 | 0 | 0 | 0 | 0 | 111.5 | W427 G468 R469 V475 I476 Q514 F517 I518 | W427-T472 HydrophobicContact CH2-CG2 3.87Å; G468-T472 PolarHBondContact O-N 3.32Å; G468-T472 PolarHBondContact O-OG1 2.94Å; G468-T472 VanDerWaalsContact O-OG1 3.13Å; R469-T472 PolarHBondContact O-N 3.23Å; T472-V475 PolarHBondContact O-N 3.46Å; T472-I476 HydrophobicContact CG2-CD1 3.95Å; T472-I476 VanDerWaalsContact O-CG1 3.27Å; T472-I476 WeakPolarHBondContact O-CG1 3.43Å; T472-I476 PolarHBondContact O-N 3.17Å; T472-I476 VanDerWaalsContact O-N 3.09Å; T472-Q514 WeakPolarHBondContact OG1-CB 3.27Å; T472-F517 HydrophobicContact CG2-CD1 3.99Å; T472-I518 HydrophobicContact CG2-CD1 4.45Å; T472-I518 HydrophobicContact CG2-CG1 3.92Å |
| 473 | F | 98.7 | Very high | 96.8 | Very high | 2 Ų | 2 | 3.6 Ų | 3.6 | 1% | 0.009 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -59.2 | -51.3 | 178 | -177.9 | -89.2 | 0 | 0 | 0 | 111.8 | V354 F442 L443 V446 V461 R469 T470 V475 I476 D477 | V354-F473 HydrophobicContact CB-CE1 4.39Å; V354-F473 HydrophobicContact CG1-CD1 4.21Å; V354-F473 HydrophobicContact CG1-CD2 4.42Å; V354-F473 HydrophobicContact CG1-CE1 3.96Å; V354-F473 HydrophobicContact CG1-CE2 4.19Å; V354-F473 HydrophobicContact CG1-CG 4.44Å; V354-F473 HydrophobicContact CG1-CZ 3.94Å; V354-F473 HydrophobicContact CG2-CE1 4.08Å; V354-F473 HydrophobicContact CG2-CZ 4.16Å; F442-F473 HydrophobicContact CD1-CD2 4.49Å; F442-F473 AromaticContact CD1-CE2 3.68Å; F442-F473 HydrophobicContact CD1-CE2 3.68Å; F442-F473 HydrophobicContact CD1-CZ 4.44Å; F442-F473 HydrophobicContact CE1-CD2 4.35Å; F442-F473 AromaticContact CE1-CE2 3.63Å; F442-F473 HydrophobicContact CE1-CE2 3.63Å; F442-F473 HydrophobicContact CE1-CZ 4.17Å; L443-F473 HydrophobicContact CB-CE2 4.14Å; L443-F473 HydrophobicContact CB-CZ 4.39Å; L443-F473 HydrophobicContact CD1-CE2 4.29Å; L443-F473 HydrophobicContact CD1-CZ 4.5Å; L443-F473 HydrophobicContact CG-CE2 4.25Å; L443-F473 HydrophobicContact CG-CZ 4.18Å; V446-F473 HydrophobicContact CG1-CZ 4.34Å; V461-F473 HydrophobicContact CG1-CB 4.42Å; V461-F473 HydrophobicContact CG1-CD1 3.84Å; V461-F473 HydrophobicContact CG1-CG 4.37Å; V461-F473 HydrophobicContact CG2-CD1 4.17Å; V461-F473 HydrophobicContact CG2-CE1 4.35Å; R469-F473 WeakPolarHBondContact O-CB 3.3Å; R469-F473 PolarHBondContact O-N 3.13Å; T470-F473 PolarHBondContact O-N 3.24Å; F473-V475 VanDerWaalsContact C-N 3.34Å; F473-V475 PolarHBondContact O-N 3.19Å; F473-I476 PolarHBondContact O-N 3.37Å; F473-D477 WeakPolarHBondContact O-CB 3.38Å; F473-D477 PolarHBondContact O-N 2.89Å |
| 474 | I | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -60.1 | -43.5 | -179 | -71.3 | 171.1 | 0 | 0 | 0 | 111.2 | I310 Y327 A329 V461 T470 G471 D477 I478 M508 | I310-I474 HydrophobicContact CG1-CD1 4.42Å; I310-I474 HydrophobicContact CG2-CG2 4.21Å; Y327-I474 HydrophobicContact CD1-CG1 4.08Å; Y327-I474 HydrophobicContact CD2-CG2 3.9Å; Y327-I474 HydrophobicContact CE2-CG2 4.14Å; Y327-I474 HydrophobicContact CG-CD1 4.33Å; Y327-I474 HydrophobicContact CG-CG1 4.14Å; Y327-I474 HydrophobicContact CG-CG2 4.11Å; A329-I474 HydrophobicContact CB-CD1 4Å; V461-I474 HydrophobicContact CB-CD1 4.08Å; V461-I474 HydrophobicContact CB-CG1 4.16Å; V461-I474 HydrophobicContact CG1-CG1 4.33Å; V461-I474 HydrophobicContact CG2-CD1 4.2Å; V461-I474 HydrophobicContact CG2-CG1 3.93Å; T470-I474 HydrophobicContact CG2-CD1 3.89Å; T470-I474 WeakPolarHBondContact O-CB 3.28Å; T470-I474 WeakPolarHBondContact O-CG1 3.4Å; T470-I474 PolarHBondContact O-N 3.01Å; G471-I474 PolarHBondContact O-N 3.34Å; I474-D477 PolarHBondContact O-N 3.41Å; I474-I478 HydrophobicContact CG2-CD1 3.65Å; I474-I478 HydrophobicContact CG2-CG1 4.27Å; I474-I478 WeakPolarHBondContact O-CG1 2.95Å; I474-I478 PolarHBondContact O-N 2.99Å; I474-M508 HydrophobicContact CD1-CE 3.96Å |
| 475 | V | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -67.1 | -40.7 | -178.4 | 170.6 | 0 | 0 | 0 | 0 | 111.7 | G471 T472 F473 D477 I478 L479 T497 I498 V501 V509 I518 | G471-V475 WeakPolarHBondContact O-CB 3.44Å; G471-V475 WeakPolarHBondContact O-CG2 3.18Å; G471-V475 PolarHBondContact O-N 2.81Å; T472-V475 PolarHBondContact O-N 3.46Å; F473-V475 VanDerWaalsContact C-N 3.34Å; F473-V475 PolarHBondContact O-N 3.19Å; V475-D477 VanDerWaalsContact C-N 3.32Å; V475-I478 PolarHBondContact O-N 2.88Å; V475-L479 HydrophobicContact CG1-CD1 3.87Å; V475-L479 HydrophobicContact CG1-CG 4.46Å; V475-L479 VanDerWaalsContact O-CG 3.29Å; V475-L479 WeakPolarHBondContact O-CG 3.37Å; V475-L479 PolarHBondContact O-N 3.35Å; V475-T497 HydrophobicContact CG1-CG2 4.17Å; V475-I498 HydrophobicContact CB-CG1 4.42Å; V475-I498 HydrophobicContact CG1-CG1 3.76Å; V475-I498 HydrophobicContact CG2-CG1 3.94Å; V475-V501 HydrophobicContact CG2-CB 4.38Å; V475-V501 HydrophobicContact CG2-CG2 4.07Å; V475-V509 HydrophobicContact CG2-CG2 4.2Å; V475-I518 HydrophobicContact CB-CD1 4.22Å; V475-I518 HydrophobicContact CG1-CD1 3.96Å; V475-I518 HydrophobicContact CG1-CG2 3.95Å |
| 476 | I | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -59.8 | -47.4 | 174.6 | -66.3 | 167 | 0 | 0 | 0 | 109.5 | L440 L443 T472 F473 I478 L479 I480 F517 I518 A521 | L440-I476 HydrophobicContact CD2-CG2 4.3Å; L443-I476 HydrophobicContact CD1-CB 4.2Å; L443-I476 HydrophobicContact CD1-CG2 3.65Å; T472-I476 HydrophobicContact CG2-CD1 3.95Å; T472-I476 VanDerWaalsContact O-CG1 3.27Å; T472-I476 WeakPolarHBondContact O-CG1 3.43Å; T472-I476 PolarHBondContact O-N 3.17Å; T472-I476 VanDerWaalsContact O-N 3.09Å; F473-I476 PolarHBondContact O-N 3.37Å; I476-I478 PolarHBondContact O-N 3.33Å; I476-L479 PolarHBondContact O-N 3.09Å; I476-I480 HydrophobicContact CG2-CD1 3.59Å; I476-I480 HydrophobicContact CG2-CG1 4.26Å; I476-I480 WeakPolarHBondContact O-CB 3.4Å; I476-I480 WeakPolarHBondContact O-CG1 3.49Å; I476-I480 PolarHBondContact O-N 2.81Å; I476-F517 HydrophobicContact CD1-CD1 3.99Å; I476-F517 HydrophobicContact CD1-CE1 3.95Å; I476-I518 HydrophobicContact CD1-CG1 4.34Å; I476-I518 HydrophobicContact CG1-CB 4.22Å; I476-I518 HydrophobicContact CG1-CG1 3.93Å; I476-I518 HydrophobicContact CG1-CG2 4.13Å; I476-A521 HydrophobicContact CD1-CB 3.83Å; I476-A521 HydrophobicContact CG1-CB 4.18Å; I476-A521 HydrophobicContact CG2-CB 4.1Å |
| 477 | D | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.5 | -41.5 | -178.6 | -164.6 | 26 | 0 | 0 | 0 | 112.3 | K325 Y327 L443 F473 I474 V475 L479 I480 D481 | K325-D477 WeakPolarHBondContact CE-OD2 3.31Å; K325-D477 IonicContact NZ-OD1 3.78Å; K325-D477 PolarHBondContact NZ-OD1 2.79Å; K325-D477 IonicContact NZ-OD2 2.84Å; K325-D477 PolarHBondContact NZ-OD2 3.42Å; Y327-D477 HydrophobicContact CE1-CB 4.46Å; Y327-D477 WeakPolarHBondContact CE1-OD2 3.29Å; Y327-D477 PolarHBondContact OH-OD2 3.18Å; Y327-D477 VanDerWaalsContact OH-OD2 3.09Å; L443-D477 HydrophobicContact CD1-CB 3.82Å; L443-D477 HydrophobicContact CD2-CB 4.36Å; L443-D477 WeakPolarHBondContact CD2-OD1 3.44Å; L443-D477 HydrophobicContact CG-CB 4.16Å; F473-D477 WeakPolarHBondContact O-CB 3.38Å; F473-D477 PolarHBondContact O-N 2.89Å; I474-D477 PolarHBondContact O-N 3.41Å; V475-D477 VanDerWaalsContact C-N 3.32Å; D477-L479 PolarHBondContact O-N 2.94Å; D477-I480 PolarHBondContact O-N 2.83Å; D477-D481 WeakPolarHBondContact O-CB 3.34Å; D477-D481 PolarHBondContact O-N 3.3Å |
| 478 | I | 97.1 | Very high | 94.1 | Very high | 5 Ų | 5 | 21.2 Ų | 21.2 | 3% | 0.026 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.9 | -46.1 | 174 | -68.4 | 170.8 | 0 | 0 | 0 | 111.5 | P312 Y327 I474 V475 I476 D481 I482 T497 M500 V501 | P312-I478 HydrophobicContact CB-CD1 4.17Å; P312-I478 HydrophobicContact CB-CG1 4.06Å; P312-I478 HydrophobicContact CB-CG2 4.05Å; Y327-I478 HydrophobicContact CE2-CD1 4.02Å; Y327-I478 HydrophobicContact CE2-CG1 3.67Å; I474-I478 HydrophobicContact CG2-CD1 3.65Å; I474-I478 HydrophobicContact CG2-CG1 4.27Å; I474-I478 WeakPolarHBondContact O-CG1 2.95Å; I474-I478 PolarHBondContact O-N 2.99Å; V475-I478 PolarHBondContact O-N 2.88Å; I476-I478 PolarHBondContact O-N 3.33Å; I478-D481 PolarHBondContact O-N 3.11Å; I478-I482 HydrophobicContact CG2-CD1 4.22Å; I478-I482 VanDerWaalsContact O-CG1 3.31Å; I478-I482 WeakPolarHBondContact O-CG1 3.37Å; I478-I482 PolarHBondContact O-N 3.41Å; I478-I482 VanDerWaalsContact O-N 3.13Å; I478-T497 HydrophobicContact CB-CG2 4.35Å; I478-T497 HydrophobicContact CG2-CG2 3.8Å; I478-M500 HydrophobicContact CD1-CE 4.21Å; I478-V501 HydrophobicContact CD1-CG2 3.82Å |
| 479 | L | 96.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -67.7 | -40.7 | -178.5 | -69.1 | 168 | 0 | 0 | 0 | 111.6 | V475 I476 D477 I482 I483 I492 V494 T497 I518 V522 | V475-L479 HydrophobicContact CG1-CD1 3.87Å; V475-L479 HydrophobicContact CG1-CG 4.46Å; V475-L479 VanDerWaalsContact O-CG 3.29Å; V475-L479 WeakPolarHBondContact O-CG 3.37Å; V475-L479 PolarHBondContact O-N 3.35Å; I476-L479 PolarHBondContact O-N 3.09Å; D477-L479 PolarHBondContact O-N 2.94Å; L479-I482 PolarHBondContact O-N 3.16Å; L479-I483 WeakPolarHBondContact O-CD1 3.42Å; L479-I483 WeakPolarHBondContact O-CG1 3.28Å; L479-I483 PolarHBondContact O-N 3.34Å; L479-I483 VanDerWaalsContact O-N 3.16Å; L479-I492 HydrophobicContact CD2-CB 4.32Å; L479-I492 HydrophobicContact CD2-CG2 4.43Å; L479-V494 HydrophobicContact CD1-CG1 4.45Å; L479-V494 HydrophobicContact CD1-CG2 3.94Å; L479-T497 HydrophobicContact CD2-CG2 4.31Å; L479-T497 HydrophobicContact CG-CG2 4.38Å; L479-I518 HydrophobicContact CD1-CG2 3.7Å; L479-V522 HydrophobicContact CB-CG2 3.95Å; L479-V522 HydrophobicContact CD1-CG2 3.91Å |
| 480 | I | 95.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.8 | -42.2 | 175.7 | -73.2 | 177.4 | 0 | 0 | 0 | 111.1 | L440 L443 I476 D477 I482 I483 R484 Y525 | L440-I480 HydrophobicContact CD2-CD1 3.4Å; L440-I480 VanDerWaalsContact CD2-CD1 3.4Å; L443-I480 HydrophobicContact CD1-CD1 4.19Å; L443-I480 HydrophobicContact CD2-CD1 4.17Å; L443-I480 HydrophobicContact CD2-CG2 4.31Å; I476-I480 HydrophobicContact CG2-CD1 3.59Å; I476-I480 HydrophobicContact CG2-CG1 4.26Å; I476-I480 WeakPolarHBondContact O-CB 3.4Å; I476-I480 WeakPolarHBondContact O-CG1 3.49Å; I476-I480 PolarHBondContact O-N 2.81Å; D477-I480 PolarHBondContact O-N 2.83Å; I480-I482 VanDerWaalsContact C-N 3.31Å; I480-I482 PolarHBondContact O-N 2.94Å; I480-I483 CarbonylContact O-C 3.49Å; I480-I483 PolarHBondContact O-N 3.01Å; I480-I483 VanDerWaalsContact O-N 3.14Å; I480-R484 WeakPolarHBondContact O-CB 3.14Å; I480-R484 PolarHBondContact O-N 3.48Å; I480-Y525 HydrophobicContact CB-CE1 4.48Å; I480-Y525 HydrophobicContact CD1-CD2 4.1Å; I480-Y525 HydrophobicContact CD1-CG 4.01Å; I480-Y525 HydrophobicContact CG1-CD1 3.97Å; I480-Y525 HydrophobicContact CG1-CD2 4.35Å; I480-Y525 HydrophobicContact CG1-CE1 4.38Å; I480-Y525 HydrophobicContact CG1-CG 3.94Å; I480-Y525 HydrophobicContact CG2-CD1 4.3Å; I480-Y525 HydrophobicContact CG2-CD2 4.25Å; I480-Y525 HydrophobicContact CG2-CE1 3.88Å; I480-Y525 HydrophobicContact CG2-CE2 3.86Å; I480-Y525 HydrophobicContact CG2-CG 4.46Å |
| 481 | D | 93.5 | Very high | 91.7 | Very high | 32 Ų | 32 | 32.2 Ų | 32.2 | 17% | 0.171 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.1 | -39.6 | 176.2 | -85.8 | 2.9 | 0 | 0 | 0 | 111.4 | K325 H447 D477 I478 I483 R484 E485 | K325-D481 WeakPolarHBondContact CE-OD2 3.4Å; K325-D481 IonicContact NZ-OD1 3.03Å; K325-D481 PolarHBondContact NZ-OD1 2.9Å; K325-D481 IonicContact NZ-OD2 3.91Å; K325-D481 PolarHBondContact NZ-OD2 3Å; H447-D481 IonicContact CE1-OD1 3.95Å; H447-D481 PolarHBondContact CE1-OD1 3.14Å; H447-D481 IonicContact ND1-OD1 3.65Å; H447-D481 PolarHBondContact ND1-OD1 2.9Å; D477-D481 WeakPolarHBondContact O-CB 3.34Å; D477-D481 PolarHBondContact O-N 3.3Å; I478-D481 PolarHBondContact O-N 3.11Å; D481-I483 VanDerWaalsContact C-N 3.33Å; D481-I483 PolarHBondContact O-N 3.32Å; D481-R484 PolarHBondContact O-N 3.45Å; D481-E485 WeakPolarHBondContact O-CB 3.38Å; D481-E485 PolarHBondContact O-N 2.79Å |
| 482 | I | 90.1 | Very high | 91.1 | Very high | 28 Ų | 28 | 32.4 Ų | 32.4 | 14% | 0.144 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.2 | -45.5 | 173.9 | -67.1 | 164.2 | 0 | 0 | 0 | 110.7 | I478 L479 I480 E485 K486 C490 | I478-I482 HydrophobicContact CG2-CD1 4.22Å; I478-I482 VanDerWaalsContact O-CG1 3.31Å; I478-I482 WeakPolarHBondContact O-CG1 3.37Å; I478-I482 PolarHBondContact O-N 3.41Å; I478-I482 VanDerWaalsContact O-N 3.13Å; L479-I482 PolarHBondContact O-N 3.16Å; I480-I482 VanDerWaalsContact C-N 3.31Å; I480-I482 PolarHBondContact O-N 2.94Å; I482-E485 PolarHBondContact O-N 3.48Å; I482-K486 HydrophobicContact CG2-CD 4.22Å; I482-K486 WeakPolarHBondContact O-CB 3.41Å; I482-K486 PolarHBondContact O-N 3.13Å; I482-C490 HydrophobicContact CG2-CB 4.5Å |
| 483 | I | 91.6 | Very high | 90.7 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -69.2 | -37.7 | 179.9 | -62.5 | 157.1 | 0 | 0 | 0 | 111 | A223 L479 I480 D481 G487 I492 V522 Y525 I526 L529 | A223-I483 HydrophobicContact CB-CD1 4.48Å; A223-I483 HydrophobicContact CB-CG1 4.14Å; L479-I483 WeakPolarHBondContact O-CD1 3.42Å; L479-I483 WeakPolarHBondContact O-CG1 3.28Å; L479-I483 PolarHBondContact O-N 3.34Å; L479-I483 VanDerWaalsContact O-N 3.16Å; I480-I483 CarbonylContact O-C 3.49Å; I480-I483 PolarHBondContact O-N 3.01Å; I480-I483 VanDerWaalsContact O-N 3.14Å; D481-I483 VanDerWaalsContact C-N 3.33Å; D481-I483 PolarHBondContact O-N 3.32Å; I483-G487 CarbonylContact O-C 3.56Å; I483-G487 WeakPolarHBondContact O-CA 3.1Å; I483-G487 PolarHBondContact O-N 3.26Å; I483-I492 HydrophobicContact CG1-CG2 4.3Å; I483-V522 HydrophobicContact CD1-CG1 3.83Å; I483-Y525 HydrophobicContact CB-CE1 4.14Å; I483-Y525 HydrophobicContact CD1-CD1 4.37Å; I483-Y525 HydrophobicContact CG2-CD1 4.32Å; I483-Y525 HydrophobicContact CG2-CE1 3.82Å; I483-I526 HydrophobicContact CD1-CD1 3.74Å; I483-I526 HydrophobicContact CD1-CG1 3.95Å; I483-I526 HydrophobicContact CG1-CD1 4.47Å; I483-I526 HydrophobicContact CG2-CG1 4.36Å; I483-L529 HydrophobicContact CG2-CD2 3.98Å |
| 484 | R | 90.1 | Very high | 90.5 | Very high | 77 Ų | 77 | 32.9 Ų | 32.9 | 29% | 0.291 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -63.7 | -43.1 | 176.5 | -169.2 | -172.4 | -53.4 | -95.7 | -9.2 | 111.3 | E444 H447 I480 D481 | E444-R484 IonicContact OE1-CZ 3.7Å; E444-R484 IonicContact OE1-NH1 3.9Å; E444-R484 IonicContact OE1-NH2 2.79Å; E444-R484 PolarHBondContact OE1-NH2 3Å; E444-R484 IonicContact OE2-CZ 2.95Å; E444-R484 IonicContact OE2-NH1 3Å; E444-R484 PolarHBondContact OE2-NH1 3.38Å; E444-R484 IonicContact OE2-NH2 3.37Å; E444-R484 PolarHBondContact OE2-NH2 2.96Å; H447-R484 PolarHBondContact CE1-NE 2.82Å; H447-R484 WeakPolarHBondContact NE2-CD 3.41Å; H447-R484 PolarHBondContact NE2-NE 2.99Å; I480-R484 WeakPolarHBondContact O-CB 3.14Å; I480-R484 PolarHBondContact O-N 3.48Å; D481-R484 PolarHBondContact O-N 3.45Å |
| 485 | E | 88.1 | Confident | 90.2 | Very high | 122 Ų | 122 | 33.4 Ų | 33.4 | 57% | 0.57 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -74.5 | -41.8 | -178.4 | -172.1 | -176.6 | 174.8 | 0 | 0 | 112.3 | D481 I482 | D481-E485 WeakPolarHBondContact O-CB 3.38Å; D481-E485 PolarHBondContact O-N 2.79Å; I482-E485 PolarHBondContact O-N 3.48Å |
| 486 | K | 84.7 | Confident | 89.8 | Confident | 119 Ų | 119 | 40 Ų | 40 | 52% | 0.517 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -106.6 | -7.3 | -169.7 | -59.5 | -177.3 | -175.3 | 175.3 | 0 | 114.6 | I482 C490 | I482-K486 HydrophobicContact CG2-CD 4.22Å; I482-K486 WeakPolarHBondContact O-CB 3.41Å; I482-K486 PolarHBondContact O-N 3.13Å; K486-C490 HydrophobicContact CB-CB 3.57Å; K486-C490 HydrophobicContact CD-CB 4.21Å |
| 487 | G | 83.9 | Confident | 89.6 | Confident | 30 Ų | 30 | 40.8 Ų | 40.8 | 31% | 0.309 | 21% | 0.206 | S | C | . | . | trans | 78.9 | -177.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | I483 D489 C490 | I483-G487 CarbonylContact O-C 3.56Å; I483-G487 WeakPolarHBondContact O-CA 3.1Å; I483-G487 PolarHBondContact O-N 3.26Å; G487-D489 VanDerWaalsContact C-N 3.28Å; G487-D489 PolarHBondContact O-N 3.04Å; G487-C490 PolarHBondContact O-N 3.02Å; G487-C490 PolarHBondContact O-SG 2.94Å | ||
| 488 | V | 83.1 | Confident | 89.6 | Confident | 25 Ų | 25 | 40.8 Ų | 40.8 | 15% | 0.152 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -17.5 | -175.6 | -63.9 | 0 | 0 | 0 | 0 | 114 | N222 A223 A224 C490 I526 L529 Q530 | N222-V488 PolarHBondContact OD1-O 3.13Å; A223-V488 WeakPolarHBondContact CB-O 3.38Å; A224-V488 PolarHBondContact N-O 2.91Å; V488-C490 PolarHBondContact O-N 3.04Å; V488-I526 HydrophobicContact CG1-CG2 4.33Å; V488-L529 HydrophobicContact CG1-CD2 3.89Å; V488-L529 HydrophobicContact CG1-CG 4.46Å; V488-Q530 HydrophobicContact CG1-CG 4.34Å |
| 489 | D | 78.3 | Confident | 89.4 | Confident | 128 Ų | 128 | 42.5 Ų | 42.5 | 68% | 0.684 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | 11.2 | -179.9 | -58.6 | -46.3 | 0 | 0 | 0 | 112.8 | N222 G487 | N222-D489 VanDerWaalsContact ND2-C 3.29Å; N222-D489 PolarHBondContact ND2-O 2.93Å; G487-D489 VanDerWaalsContact C-N 3.28Å; G487-D489 PolarHBondContact O-N 3.04Å |
| 490 | C | 82.7 | Confident | 89.3 | Confident | 10 Ų | 10 | 44.2 Ų | 44.2 | 7% | 0.068 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -81.7 | 158 | 179.1 | 72.6 | 0 | 0 | 0 | 0 | 113 | A223 I482 K486 G487 V488 | A223-C490 WeakPolarHBondContact CB-O 3.35Å; A223-C490 PolarHBondContact N-O 3.36Å; I482-C490 HydrophobicContact CG2-CB 4.5Å; K486-C490 HydrophobicContact CB-CB 3.57Å; K486-C490 HydrophobicContact CD-CB 4.21Å; G487-C490 PolarHBondContact O-N 3.02Å; G487-C490 PolarHBondContact O-SG 2.94Å; V488-C490 PolarHBondContact O-N 3.04Å |
| 491 | D | 80.4 | Confident | 89.4 | Confident | 98 Ų | 98 | 44.2 Ų | 44.2 | 52% | 0.524 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 133.6 | 171.3 | -77.9 | -16.2 | 0 | 0 | 0 | 111.2 | R220 I221 | R220-D491 HydrophobicContact CG-CB 4.22Å; R220-D491 IonicContact NE-OD2 2.82Å; I221-D491 WeakPolarHBondContact O-CA 3.42Å |
| 492 | I | 86.3 | Confident | 89.5 | Confident | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 146.1 | 169.7 | 59.9 | 174.5 | 0 | 0 | 0 | 110.6 | R220 I221 A223 I226 L479 I483 V522 | R220-I492 WeakPolarHBondContact CA-O 3.34Å; I221-I492 HydrophobicContact CD1-CD1 4.2Å; I221-I492 HydrophobicContact CD1-CG1 4.19Å; I221-I492 HydrophobicContact CG1-CD1 4.38Å; I221-I492 HydrophobicContact CG1-CG1 3.81Å; I221-I492 PolarHBondContact N-O 2.96Å; I221-I492 PolarHBondContact O-N 2.83Å; A223-I492 HydrophobicContact CB-CD1 3.93Å; A223-I492 HydrophobicContact CB-CG1 4.14Å; A223-I492 HydrophobicContact CB-CG2 4.1Å; I226-I492 HydrophobicContact CD1-CD1 4Å; L479-I492 HydrophobicContact CD2-CB 4.32Å; L479-I492 HydrophobicContact CD2-CG2 4.43Å; I483-I492 HydrophobicContact CG1-CG2 4.3Å; I492-V522 HydrophobicContact CD1-CG1 3.88Å |
| 493 | D | 89.8 | Confident | 89.8 | Confident | 10 Ų | 10 | 42.5 Ų | 42.5 | 5% | 0.053 | 21% | 0.214 | C | C | . | . | trans | -144.5 | 89.1 | 179.4 | -172.5 | -19.1 | 0 | 0 | 0 | 108.4 | N217 T219 R220 P495 K496 T497 | N217-D493 PolarHBondContact ND2-OD2 2.98Å; T219-D493 PolarHBondContact OG1-OD1 2.99Å; R220-D493 HydrophobicContact CB-CB 4.19Å; R220-D493 HydrophobicContact CG-CB 4.42Å; D493-P495 WeakPolarHBondContact OD1-CD 3.44Å; D493-K496 HydrophobicContact CB-CB 3.84Å; D493-K496 HydrophobicContact CB-CD 4.36Å; D493-K496 PolarHBondContact O-N 2.84Å; D493-K496 WeakPolarHBondContact OD1-CB 3.4Å; D493-K496 PolarHBondContact OD1-N 2.86Å; D493-K496 WeakPolarHBondContact OD2-CB 3.29Å; D493-T497 PolarHBondContact O-N 2.88Å; D493-T497 PolarHBondContact O-OG1 3.48Å | ||
| 494 | V | 95.1 | Very high | 90.1 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.012 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -55.5 | -53.9 | -172.8 | 178.9 | 0 | 0 | 0 | 0 | 112.4 | L479 K496 T497 I498 Y515 I518 Y519 | L479-V494 HydrophobicContact CD1-CG1 4.45Å; L479-V494 HydrophobicContact CD1-CG2 3.94Å; V494-K496 VanDerWaalsContact C-N 3.3Å; V494-K496 PolarHBondContact O-N 2.86Å; V494-T497 PolarHBondContact O-N 2.66Å; V494-I498 HydrophobicContact CG1-CD1 3.82Å; V494-I498 HydrophobicContact CG1-CG1 4.45Å; V494-I498 WeakPolarHBondContact O-CG1 3.39Å; V494-I498 PolarHBondContact O-N 2.82Å; V494-Y515 HydrophobicContact CG1-CE2 4.22Å; V494-I518 HydrophobicContact CG1-CB 4.48Å; V494-I518 HydrophobicContact CG1-CG2 3.81Å; V494-Y519 HydrophobicContact CB-CD2 4.35Å; V494-Y519 HydrophobicContact CB-CE1 4.38Å; V494-Y519 HydrophobicContact CB-CE2 3.65Å; V494-Y519 HydrophobicContact CG1-CD2 4.06Å; V494-Y519 HydrophobicContact CG1-CE2 3.65Å; V494-Y519 HydrophobicContact CG2-CD1 4.28Å; V494-Y519 HydrophobicContact CG2-CD2 4.23Å; V494-Y519 HydrophobicContact CG2-CE1 3.85Å; V494-Y519 HydrophobicContact CG2-CE2 3.86Å; V494-Y519 HydrophobicContact CG2-CG 4.44Å |
| 495 | P | 92.4 | Very high | 90.5 | Very high | 11 Ų | 11 | 38.9 Ų | 38.9 | 7% | 0.071 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.7 | -30.5 | -179.1 | 19.6 | -25 | 0 | 0 | 0 | 112.7 | T219 E250 L254 D493 I498 Q499 Y515 | T219-P495 HydrophobicContact CG2-CG 3.72Å; E250-P495 HydrophobicContact CG-CG 4.31Å; L254-P495 HydrophobicContact CB-CB 4.34Å; L254-P495 HydrophobicContact CD1-CB 4.32Å; L254-P495 HydrophobicContact CD2-CB 4.21Å; D493-P495 WeakPolarHBondContact OD1-CD 3.44Å; P495-I498 PolarHBondContact O-N 2.83Å; P495-Q499 VanDerWaalsContact O-CB 3.28Å; P495-Q499 WeakPolarHBondContact O-CB 3.35Å; P495-Q499 PolarHBondContact O-N 2.89Å; P495-Y515 HydrophobicContact CB-CE2 4.3Å; P495-Y515 WeakPolarHBondContact CB-OH 3.45Å; P495-Y515 VanDerWaalsContact CD-OH 3.29Å; P495-Y515 WeakPolarHBondContact CD-OH 3.1Å; P495-Y515 VanDerWaalsContact CG-OH 3.28Å; P495-Y515 WeakPolarHBondContact CG-OH 3.36Å |
| 496 | K | 89.8 | Confident | 90.8 | Very high | 138 Ų | 138 | 33.5 Ų | 33.5 | 60% | 0.6 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -66.3 | -42.4 | 172.9 | -175.3 | -176.4 | 175.8 | -167.5 | 0 | 111.9 | D493 V494 Q499 M500 | D493-K496 HydrophobicContact CB-CB 3.84Å; D493-K496 HydrophobicContact CB-CD 4.36Å; D493-K496 PolarHBondContact O-N 2.84Å; D493-K496 WeakPolarHBondContact OD1-CB 3.4Å; D493-K496 PolarHBondContact OD1-N 2.86Å; D493-K496 WeakPolarHBondContact OD2-CB 3.29Å; V494-K496 VanDerWaalsContact C-N 3.3Å; V494-K496 PolarHBondContact O-N 2.86Å; K496-Q499 PolarHBondContact O-N 2.89Å; K496-M500 WeakPolarHBondContact O-CB 3.26Å; K496-M500 PolarHBondContact O-N 3.26Å |
| 497 | T | 95.1 | Very high | 91.2 | Very high | 16 Ų | 16 | 28 Ų | 28 | 10% | 0.098 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.5 | -44.3 | 174.8 | -60.7 | 0 | 0 | 0 | 0 | 110.9 | V475 I478 L479 D493 V494 Q499 M500 V501 | V475-T497 HydrophobicContact CG1-CG2 4.17Å; I478-T497 HydrophobicContact CB-CG2 4.35Å; I478-T497 HydrophobicContact CG2-CG2 3.8Å; L479-T497 HydrophobicContact CD2-CG2 4.31Å; L479-T497 HydrophobicContact CG-CG2 4.38Å; D493-T497 PolarHBondContact O-N 2.88Å; D493-T497 PolarHBondContact O-OG1 3.48Å; V494-T497 PolarHBondContact O-N 2.66Å; T497-Q499 PolarHBondContact O-N 2.82Å; T497-M500 HydrophobicContact CG2-CE 4.24Å; T497-M500 WeakPolarHBondContact O-CB 3.4Å; T497-M500 PolarHBondContact O-N 3.4Å; T497-V501 WeakPolarHBondContact O-CG2 3.48Å; T497-V501 PolarHBondContact O-N 3.03Å |
| 498 | I | 97 | Very high | 91.8 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.9 | -44.5 | 176 | -63.4 | 167.6 | 0 | 0 | 0 | 110.9 | L254 V475 V494 P495 M500 V501 R502 V509 Y515 I518 | L254-I498 HydrophobicContact CD2-CB 3.97Å; L254-I498 HydrophobicContact CD2-CD1 4.22Å; L254-I498 HydrophobicContact CD2-CG2 3.72Å; V475-I498 HydrophobicContact CB-CG1 4.42Å; V475-I498 HydrophobicContact CG1-CG1 3.76Å; V475-I498 HydrophobicContact CG2-CG1 3.94Å; V494-I498 HydrophobicContact CG1-CD1 3.82Å; V494-I498 HydrophobicContact CG1-CG1 4.45Å; V494-I498 WeakPolarHBondContact O-CG1 3.39Å; V494-I498 PolarHBondContact O-N 2.82Å; P495-I498 PolarHBondContact O-N 2.83Å; I498-M500 VanDerWaalsContact C-N 3.27Å; I498-M500 PolarHBondContact O-N 2.89Å; I498-V501 PolarHBondContact O-N 3.33Å; I498-R502 HydrophobicContact CG2-CG 4.13Å; I498-R502 WeakPolarHBondContact O-CB 3.49Å; I498-R502 WeakPolarHBondContact O-CG 3.17Å; I498-R502 PolarHBondContact O-N 2.88Å; I498-V509 HydrophobicContact CD1-CG1 4.47Å; I498-V509 HydrophobicContact CD1-CG2 4.29Å; I498-V509 HydrophobicContact CG1-CG2 4.19Å; I498-V509 HydrophobicContact CG2-CB 4.15Å; I498-V509 HydrophobicContact CG2-CG2 4.14Å; I498-Y515 HydrophobicContact CD1-CD2 3.43Å; I498-Y515 VanDerWaalsContact CD1-CD2 3.43Å; I498-Y515 HydrophobicContact CD1-CE2 3.5Å; I498-I518 HydrophobicContact CD1-CD1 3.87Å; I498-I518 HydrophobicContact CG1-CD1 4.41Å |
| 499 | Q | 93.5 | Very high | 92.5 | Very high | 41 Ų | 41 | 25.4 Ų | 25.4 | 19% | 0.192 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.3 | -38.6 | 177.6 | -173.1 | 67.7 | 5.8 | 0 | 0 | 111.7 | L254 P495 K496 T497 R502 S503 | L254-Q499 HydrophobicContact CD1-CB 3.89Å; L254-Q499 VanDerWaalsContact CD1-OE1 3.29Å; P495-Q499 VanDerWaalsContact O-CB 3.28Å; P495-Q499 WeakPolarHBondContact O-CB 3.35Å; P495-Q499 PolarHBondContact O-N 2.89Å; K496-Q499 PolarHBondContact O-N 2.89Å; T497-Q499 PolarHBondContact O-N 2.82Å; Q499-R502 PolarHBondContact O-N 2.88Å; Q499-S503 PolarHBondContact O-N 2.8Å |
| 500 | M | 94.4 | Very high | 93.3 | Very high | 36 Ų | 36 | 19.4 Ų | 19.4 | 18% | 0.177 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.1 | -46.4 | 174.7 | 175.1 | -77.3 | -67.4 | 0 | 0 | 111.2 | P312 I478 K496 T497 I498 R502 S503 Q504 | P312-M500 VanDerWaalsContact O-CE 3.25Å; P312-M500 WeakPolarHBondContact O-CE 3.47Å; I478-M500 HydrophobicContact CD1-CE 4.21Å; K496-M500 WeakPolarHBondContact O-CB 3.26Å; K496-M500 PolarHBondContact O-N 3.26Å; T497-M500 HydrophobicContact CG2-CE 4.24Å; T497-M500 WeakPolarHBondContact O-CB 3.4Å; T497-M500 PolarHBondContact O-N 3.4Å; I498-M500 VanDerWaalsContact C-N 3.27Å; I498-M500 PolarHBondContact O-N 2.89Å; M500-R502 PolarHBondContact O-N 3.1Å; M500-S503 WeakPolarHBondContact O-CB 3.39Å; M500-S503 PolarHBondContact O-N 3.44Å; M500-S503 PolarHBondContact O-OG 2.95Å; M500-Q504 PolarHBondContact O-NE2 3.26Å; M500-Q504 PolarHBondContact SD-NE2 3.17Å |
| 501 | V | 97.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65.5 | -39.4 | 176.5 | 174.8 | 0 | 0 | 0 | 0 | 111.3 | I310 V475 I478 T497 I498 S503 Q504 R505 M508 | I310-V501 HydrophobicContact CG2-CB 4.39Å; I310-V501 HydrophobicContact CG2-CG1 3.88Å; I310-V501 HydrophobicContact CG2-CG2 4.06Å; V475-V501 HydrophobicContact CG2-CB 4.38Å; V475-V501 HydrophobicContact CG2-CG2 4.07Å; I478-V501 HydrophobicContact CD1-CG2 3.82Å; T497-V501 WeakPolarHBondContact O-CG2 3.48Å; T497-V501 PolarHBondContact O-N 3.03Å; I498-V501 PolarHBondContact O-N 3.33Å; V501-S503 PolarHBondContact O-N 3.06Å; V501-Q504 PolarHBondContact O-N 3.48Å; V501-R505 PolarHBondContact O-N 2.83Å; V501-M508 HydrophobicContact CG1-CB 3.72Å; V501-M508 HydrophobicContact CG1-CE 3.46Å; V501-M508 VanDerWaalsContact CG1-CE 3.46Å; V501-M508 HydrophobicContact CG1-CG 3.75Å; V501-M508 HydrophobicContact CG1-SD 4.49Å |
| 502 | R | 96.9 | Very high | 94.5 | Very high | 10 Ų | 10 | 17.8 Ų | 17.8 | 4% | 0.038 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63 | -23.3 | 174.9 | -77.4 | 179.9 | 176.3 | -172.2 | -2.5 | 113.7 | L261 F285 I498 Q499 M500 Q504 R505 M508 V509 | L261-R502 HydrophobicContact CD1-CB 3.74Å; F285-R502 WeakPolarHBondContact CE2-O 3.34Å; I498-R502 HydrophobicContact CG2-CG 4.13Å; I498-R502 WeakPolarHBondContact O-CB 3.49Å; I498-R502 WeakPolarHBondContact O-CG 3.17Å; I498-R502 PolarHBondContact O-N 2.88Å; Q499-R502 PolarHBondContact O-N 2.88Å; M500-R502 PolarHBondContact O-N 3.1Å; R502-Q504 PolarHBondContact O-N 2.75Å; R502-R505 CarbonylContact C-O 3.43Å; R502-R505 WeakPolarHBondContact CA-O 3.45Å; R502-M508 HydrophobicContact CG-CB 3.96Å; R502-M508 WeakPolarHBondContact CG-O 3.37Å; R502-M508 PolarHBondContact NE-O 3.05Å; R502-V509 PolarHBondContact NH2-O 3.38Å |
| 503 | S | 95.8 | Very high | 94.8 | Very high | 15 Ų | 15 | 19.3 Ų | 19.3 | 11% | 0.105 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -13.2 | 174.9 | 76.6 | 0 | 0 | 0 | 0 | 113.3 | Y263 H287 Q499 M500 V501 | Y263-S503 WeakPolarHBondContact CE2-O 3.49Å; H287-S503 PolarHBondContact CE1-O 3.26Å; H287-S503 PolarHBondContact NE2-O 3.1Å; H287-S503 VanDerWaalsContact NE2-O 3.1Å; Q499-S503 PolarHBondContact O-N 2.8Å; M500-S503 WeakPolarHBondContact O-CB 3.39Å; M500-S503 PolarHBondContact O-N 3.44Å; M500-S503 PolarHBondContact O-OG 2.95Å; V501-S503 PolarHBondContact O-N 3.06Å |
| 504 | Q | 97.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | -23.3 | -176.3 | -60.2 | 177.1 | 78.3 | 0 | 0 | 112.6 | T288 N308 I310 M311 M500 V501 R502 | T288-Q504 HydrophobicContact CG2-CB 4.11Å; T288-Q504 HydrophobicContact CG2-CG 4.18Å; T288-Q504 PolarHBondContact OG1-O 3.45Å; N308-Q504 WeakPolarHBondContact CB-O 3.33Å; N308-Q504 PolarHBondContact ND2-O 3.46Å; I310-Q504 HydrophobicContact CD1-CB 3.7Å; M311-Q504 PolarHBondContact O-NE2 3.46Å; M500-Q504 PolarHBondContact O-NE2 3.26Å; M500-Q504 PolarHBondContact SD-NE2 3.17Å; V501-Q504 PolarHBondContact O-N 3.48Å; R502-Q504 PolarHBondContact O-N 2.75Å |
| 505 | R | 98.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 18.8 Ų | 18.8 | 0% | 0.004 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -149.6 | 136.8 | 167.3 | -176.9 | 170.3 | 176.9 | 82.5 | -1.7 | 110.1 | F285 N306 N308 I310 A465 G466 I467 V501 R502 M508 | F285-R505 VanDerWaalsContact CE2-C 3.49Å; N306-R505 PolarHBondContact OD1-NH1 3.35Å; N306-R505 VanDerWaalsContact OD1-NH1 3.09Å; N306-R505 PolarHBondContact OD1-NH2 3.24Å; N308-R505 HydrophobicContact CB-CB 4.02Å; N308-R505 HydrophobicContact CB-CG 4.43Å; N308-R505 WeakPolarHBondContact OD1-CG 3.38Å; N308-R505 PolarHBondContact OD1-NH1 3.46Å; I310-R505 HydrophobicContact CD1-CB 3.89Å; A465-R505 PolarHBondContact O-NH2 3.12Å; G466-R505 PolarHBondContact O-NE 2.88Å; I467-R505 HydrophobicContact CG2-CG 4.33Å; V501-R505 PolarHBondContact O-N 2.83Å; R502-R505 CarbonylContact C-O 3.43Å; R502-R505 WeakPolarHBondContact CA-O 3.45Å; R505-M508 HydrophobicContact CB-CG 3.93Å; R505-M508 HydrophobicContact CB-SD 4.11Å; R505-M508 HydrophobicContact CG-CG 4.38Å; R505-M508 HydrophobicContact CG-SD 4.16Å; R505-M508 WeakPolarHBondContact O-CG 3.27Å |
| 506 | S | 94.3 | Very high | 95.4 | Very high | 9 Ų | 9 | 22.9 Ų | 22.9 | 6% | 0.063 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | 143.5 | -176.8 | -168.8 | 0 | 0 | 0 | 0 | 112.4 | E76 F285 I467 M508 | E76-S506 VanDerWaalsContact CD-OG 3.3Å; E76-S506 WeakPolarHBondContact OE1-CB 3.38Å; E76-S506 PolarHBondContact OE1-OG 3.38Å; F285-S506 VanDerWaalsContact CE2-N 3.26Å; I467-S506 WeakPolarHBondContact CG2-O 3.32Å; S506-M508 VanDerWaalsContact C-N 3.31Å; S506-M508 PolarHBondContact O-N 3.44Å |
| 507 | G | 92.7 | Very high | 95.8 | Very high | 3 Ų | 3 | 16.7 Ų | 16.7 | 3% | 0.031 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.6 | 18.3 | 170 | 0 | 0 | 0 | 0 | 0 | 115.7 | V509 Q510 | G507-V509 PolarHBondContact O-N 2.9Å; G507-Q510 PolarHBondContact O-NE2 3.32Å |
| 508 | M | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.081 | C | C | . | . | S | Bend | trans | -60.8 | 125.6 | 177.2 | -64.6 | -71.3 | -80.3 | 0 | 0 | 110.6 | I310 A329 I467 T470 G471 I474 V501 R502 R505 S506 | I310-M508 HydrophobicContact CD1-CE 4.46Å; I310-M508 HydrophobicContact CG1-CE 4.48Å; A329-M508 HydrophobicContact CB-CE 3.9Å; A329-M508 HydrophobicContact CB-SD 4.37Å; I467-M508 HydrophobicContact CB-SD 4.48Å; I467-M508 WeakPolarHBondContact O-CA 3.38Å; T470-M508 HydrophobicContact CG2-CE 4.43Å; G471-M508 VanDerWaalsContact CA-CE 3.44Å; I474-M508 HydrophobicContact CD1-CE 3.96Å; V501-M508 HydrophobicContact CG1-CB 3.72Å; V501-M508 HydrophobicContact CG1-CE 3.46Å; V501-M508 VanDerWaalsContact CG1-CE 3.46Å; V501-M508 HydrophobicContact CG1-CG 3.75Å; V501-M508 HydrophobicContact CG1-SD 4.49Å; R502-M508 HydrophobicContact CG-CB 3.96Å; R502-M508 WeakPolarHBondContact CG-O 3.37Å; R502-M508 PolarHBondContact NE-O 3.05Å; R505-M508 HydrophobicContact CB-CG 3.93Å; R505-M508 HydrophobicContact CB-SD 4.11Å; R505-M508 HydrophobicContact CG-CG 4.38Å; R505-M508 HydrophobicContact CG-SD 4.16Å; R505-M508 WeakPolarHBondContact O-CG 3.27Å; S506-M508 VanDerWaalsContact C-N 3.31Å; S506-M508 PolarHBondContact O-N 3.44Å |
| 509 | V | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.081 | C | C | . | . | S | Bend | trans | 64.6 | 108.3 | -166.3 | -172.1 | 0 | 0 | 0 | 0 | 111.5 | I467 V475 I498 R502 G507 Q514 I518 | I467-V509 PolarHBondContact O-N 3.42Å; V475-V509 HydrophobicContact CG2-CG2 4.2Å; I498-V509 HydrophobicContact CD1-CG1 4.47Å; I498-V509 HydrophobicContact CD1-CG2 4.29Å; I498-V509 HydrophobicContact CG1-CG2 4.19Å; I498-V509 HydrophobicContact CG2-CB 4.15Å; I498-V509 HydrophobicContact CG2-CG2 4.14Å; R502-V509 PolarHBondContact NH2-O 3.38Å; G507-V509 PolarHBondContact O-N 2.9Å; V509-Q514 HydrophobicContact CG1-CB 3.93Å; V509-I518 HydrophobicContact CG1-CD1 4.02Å; V509-I518 HydrophobicContact CG2-CD1 3.78Å |
| 510 | Q | 94.2 | Very high | 96.1 | Very high | 2 Ų | 2 | 17 Ų | 17 | 1% | 0.009 | 9% | 0.087 | C | C | . | . | trans | -96.2 | -31.2 | -166.1 | -79.1 | -70.4 | -73.2 | 0 | 0 | 115.1 | N58 G60 Y62 Y63 A72 I467 G507 | N58-Q510 PolarHBondContact ND2-O 2.94Å; G60-Q510 WeakPolarHBondContact O-CB 3.28Å; Y62-Q510 VanDerWaalsContact CA-OE1 3.22Å; Y63-Q510 PolarHBondContact OH-O 2.88Å; A72-Q510 PolarHBondContact O-NE2 2.82Å; A72-Q510 PolarHBondContact O-OE1 2.87Å; I467-Q510 HydrophobicContact CD1-CG 4.18Å; I467-Q510 HydrophobicContact CG1-CG 3.98Å; G507-Q510 PolarHBondContact O-NE2 3.32Å | ||
| 511 | T | 93.8 | Very high | 96.3 | Very high | 17 Ų | 17 | 15.3 Ų | 15.3 | 10% | 0.104 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -130.9 | 157.6 | -169.9 | 55.8 | 0 | 0 | 0 | 0 | 112.2 | N58 A513 Q514 Y515 | N58-T511 HydrophobicContact CB-CG2 4.46Å; N58-T511 WeakPolarHBondContact OD1-CG2 3.42Å; T511-A513 VanDerWaalsContact C-N 3.26Å; T511-A513 PolarHBondContact O-N 3.5Å; T511-Q514 WeakPolarHBondContact O-CB 3.45Å; T511-Q514 PolarHBondContact O-N 2.99Å; T511-Q514 WeakPolarHBondContact OG1-CG 3.4Å; T511-Q514 PolarHBondContact OG1-N 3.07Å; T511-Y515 PolarHBondContact O-N 3Å |
| 512 | E | 93.4 | Very high | 96.3 | Very high | 57 Ų | 57 | 15.3 Ų | 15.3 | 27% | 0.266 | 8% | 0.078 | S | C | . | . | H | α-helix | trans | -60 | -36.9 | 172.5 | 179.5 | -81 | 145.2 | 0 | 0 | 111.5 | F247 W248 F251 Q514 Y515 R516 | F247-E512 HydrophobicContact CB-CG 4.46Å; F247-E512 WeakPolarHBondContact CB-OE1 3.25Å; W248-E512 HydrophobicContact CB-CG 4.35Å; F251-E512 HydrophobicContact CB-CG 4.45Å; F251-E512 HydrophobicContact CD1-CB 3.82Å; F251-E512 HydrophobicContact CE1-CB 4.34Å; F251-E512 HydrophobicContact CG-CB 4.25Å; E512-Q514 VanDerWaalsContact C-N 3.32Å; E512-Q514 PolarHBondContact O-N 3.14Å; E512-Y515 CarbonylContact O-C 3.46Å; E512-Y515 WeakPolarHBondContact O-CA 3.34Å; E512-Y515 VanDerWaalsContact O-CB 3.3Å; E512-Y515 WeakPolarHBondContact O-CB 3.29Å; E512-Y515 PolarHBondContact O-N 3.44Å; E512-R516 WeakPolarHBondContact O-CB 3.3Å; E512-R516 PolarHBondContact O-N 3.29Å |
| 513 | A | 94.1 | Very high | 96.3 | Very high | 36 Ų | 36 | 16 Ų | 16 | 30% | 0.298 | 8% | 0.082 | S | C | . | . | H | α-helix | trans | -58.3 | -42.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V432 T511 F517 | V432-A513 HydrophobicContact CG1-CB 4.39Å; V432-A513 HydrophobicContact CG2-CB 4.44Å; T511-A513 VanDerWaalsContact C-N 3.26Å; T511-A513 PolarHBondContact O-N 3.5Å; A513-F517 VanDerWaalsContact O-CB 3.31Å; A513-F517 WeakPolarHBondContact O-CB 3.4Å; A513-F517 PolarHBondContact O-N 2.88Å |
| 514 | Q | 96.9 | Very high | 96.3 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -66.8 | -39.9 | 173.4 | -75 | 167.5 | -7.8 | 0 | 0 | 112.1 | G60 V432 T472 V509 T511 E512 F517 I518 | G60-Q514 PolarHBondContact O-NE2 3.11Å; V432-Q514 HydrophobicContact CG1-CB 4.29Å; V432-Q514 HydrophobicContact CG1-CG 3.71Å; T472-Q514 WeakPolarHBondContact OG1-CB 3.27Å; V509-Q514 HydrophobicContact CG1-CB 3.93Å; T511-Q514 WeakPolarHBondContact O-CB 3.45Å; T511-Q514 PolarHBondContact O-N 2.99Å; T511-Q514 WeakPolarHBondContact OG1-CG 3.4Å; T511-Q514 PolarHBondContact OG1-N 3.07Å; E512-Q514 VanDerWaalsContact C-N 3.32Å; E512-Q514 PolarHBondContact O-N 3.14Å; Q514-F517 PolarHBondContact O-N 2.75Å; Q514-I518 WeakPolarHBondContact O-CG1 3.28Å; Q514-I518 PolarHBondContact O-N 3.41Å; Q514-I518 VanDerWaalsContact O-N 3.09Å |
| 515 | Y | 97 | Very high | 96.3 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60.4 | -50 | 176.2 | -173.8 | -97.2 | 0 | 0 | 0 | 111.9 | F247 E250 F251 L254 V494 P495 I498 T511 E512 F517 I518 Y519 | F247-Y515 HydrophobicContact CD1-CD1 4.1Å; F247-Y515 HydrophobicContact CD1-CE1 4.23Å; E250-Y515 HydrophobicContact CB-CE1 4.34Å; E250-Y515 HydrophobicContact CG-CE1 4.4Å; E250-Y515 WeakPolarHBondContact CG-OH 3.38Å; E250-Y515 VanDerWaalsContact OE1-CE1 3.29Å; E250-Y515 WeakPolarHBondContact OE1-CE1 3.31Å; E250-Y515 VanDerWaalsContact OE1-CZ 3.27Å; E250-Y515 PolarHBondContact OE1-OH 2.94Å; F251-Y515 HydrophobicContact CB-CD1 4.05Å; F251-Y515 HydrophobicContact CB-CE1 4.41Å; F251-Y515 HydrophobicContact CB-CG 4.14Å; F251-Y515 HydrophobicContact CD2-CD1 4.34Å; F251-Y515 AromaticContact CD2-CD2 3.54Å; F251-Y515 HydrophobicContact CD2-CD2 3.54Å; F251-Y515 HydrophobicContact CD2-CE2 4.25Å; F251-Y515 AromaticContact CD2-CG 3.58Å; F251-Y515 HydrophobicContact CD2-CG 3.58Å; F251-Y515 HydrophobicContact CE2-CD2 4.22Å; F251-Y515 HydrophobicContact CE2-CG 4.38Å; F251-Y515 HydrophobicContact CG-CD2 4.5Å; F251-Y515 HydrophobicContact CG-CG 4.21Å; L254-Y515 HydrophobicContact CD2-CD2 4.39Å; L254-Y515 HydrophobicContact CD2-CE2 3.98Å; V494-Y515 HydrophobicContact CG1-CE2 4.22Å; P495-Y515 HydrophobicContact CB-CE2 4.3Å; P495-Y515 WeakPolarHBondContact CB-OH 3.45Å; P495-Y515 VanDerWaalsContact CD-OH 3.29Å; P495-Y515 WeakPolarHBondContact CD-OH 3.1Å; P495-Y515 VanDerWaalsContact CG-OH 3.28Å; P495-Y515 WeakPolarHBondContact CG-OH 3.36Å; I498-Y515 HydrophobicContact CD1-CD2 3.43Å; I498-Y515 VanDerWaalsContact CD1-CD2 3.43Å; I498-Y515 HydrophobicContact CD1-CE2 3.5Å; T511-Y515 PolarHBondContact O-N 3Å; E512-Y515 CarbonylContact O-C 3.46Å; E512-Y515 WeakPolarHBondContact O-CA 3.34Å; E512-Y515 VanDerWaalsContact O-CB 3.3Å; E512-Y515 WeakPolarHBondContact O-CB 3.29Å; E512-Y515 PolarHBondContact O-N 3.44Å; Y515-F517 VanDerWaalsContact C-N 3.31Å; Y515-F517 PolarHBondContact O-N 2.96Å; Y515-I518 WeakPolarHBondContact O-CB 3.34Å; Y515-I518 PolarHBondContact O-N 2.82Å; Y515-Y519 HydrophobicContact CD1-CD2 4.37Å; Y515-Y519 HydrophobicContact CD1-CE2 4.19Å; Y515-Y519 HydrophobicContact CE1-CD2 4.1Å; Y515-Y519 AromaticContact CE1-CE2 3.49Å; Y515-Y519 HydrophobicContact CE1-CE2 3.49Å; Y515-Y519 VanDerWaalsContact CE1-CE2 3.49Å; Y515-Y519 HydrophobicContact CE2-CE2 4.48Å; Y515-Y519 AromaticContact CZ-CE2 3.67Å; Y515-Y519 PolarHBondContact O-N 3.31Å |
| 516 | R | 95.5 | Very high | 96 | Very high | 98 Ų | 98 | 18.7 Ų | 18.7 | 37% | 0.37 | 9% | 0.092 | S | C | . | . | H | α-helix | trans | -58.3 | -42.9 | 173.4 | -176.6 | -178.8 | -177.3 | 115.8 | 9.3 | 111.5 | S234 F247 E512 I518 Y519 M520 | S234-R516 PolarHBondContact OG-NH2 2.9Å; F247-R516 HydrophobicContact CD1-CB 4.16Å; F247-R516 HydrophobicContact CD1-CG 4.29Å; F247-R516 HydrophobicContact CD2-CG 3.96Å; F247-R516 HydrophobicContact CE1-CB 4.45Å; F247-R516 HydrophobicContact CE1-CG 4.27Å; F247-R516 HydrophobicContact CE2-CG 3.94Å; F247-R516 HydrophobicContact CG-CB 4.2Å; F247-R516 HydrophobicContact CG-CG 4.13Å; F247-R516 HydrophobicContact CZ-CG 4.09Å; E512-R516 WeakPolarHBondContact O-CB 3.3Å; E512-R516 PolarHBondContact O-N 3.29Å; R516-I518 VanDerWaalsContact C-N 3.28Å; R516-I518 PolarHBondContact O-N 2.84Å; R516-Y519 WeakPolarHBondContact O-CB 3.43Å; R516-Y519 PolarHBondContact O-N 2.87Å; R516-Y519 VanDerWaalsContact O-N 3.15Å; R516-M520 HydrophobicContact CG-CG 4.41Å; R516-M520 WeakPolarHBondContact O-CG 3.35Å; R516-M520 PolarHBondContact O-N 3.45Å |
| 517 | F | 97.5 | Very high | 96 | Very high | 8 Ų | 8 | 21.6 Ų | 21.6 | 4% | 0.035 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.4 | -35.6 | 178.8 | -174.1 | -100.4 | 0 | 0 | 0 | 113 | W427 V432 P433 P436 V439 T472 I476 A513 Q514 Y515 Y519 M520 A521 | W427-F517 HydrophobicContact CH2-CE1 4.3Å; V432-F517 HydrophobicContact CB-CB 3.99Å; V432-F517 HydrophobicContact CB-CD2 3.89Å; V432-F517 HydrophobicContact CB-CG 3.93Å; V432-F517 HydrophobicContact CG1-CB 3.85Å; V432-F517 HydrophobicContact CG1-CG 4.16Å; V432-F517 HydrophobicContact CG2-CB 4.09Å; V432-F517 HydrophobicContact CG2-CD2 4.03Å; V432-F517 HydrophobicContact CG2-CG 4.3Å; P433-F517 HydrophobicContact CB-CE2 3.92Å; P433-F517 HydrophobicContact CB-CZ 4.06Å; P433-F517 HydrophobicContact CG-CE2 4.25Å; P433-F517 HydrophobicContact CG-CZ 4Å; P433-F517 VanDerWaalsContact O-CE2 3.3Å; P433-F517 WeakPolarHBondContact O-CE2 3.36Å; P436-F517 HydrophobicContact CB-CE2 4.11Å; P436-F517 HydrophobicContact CB-CZ 4.11Å; V439-F517 HydrophobicContact CB-CE1 4.44Å; V439-F517 HydrophobicContact CB-CZ 4.23Å; V439-F517 HydrophobicContact CG1-CE1 4.39Å; V439-F517 HydrophobicContact CG2-CE1 4.21Å; V439-F517 HydrophobicContact CG2-CZ 3.87Å; T472-F517 HydrophobicContact CG2-CD1 3.99Å; I476-F517 HydrophobicContact CD1-CD1 3.99Å; I476-F517 HydrophobicContact CD1-CE1 3.95Å; A513-F517 VanDerWaalsContact O-CB 3.31Å; A513-F517 WeakPolarHBondContact O-CB 3.4Å; A513-F517 PolarHBondContact O-N 2.88Å; Q514-F517 PolarHBondContact O-N 2.75Å; Y515-F517 VanDerWaalsContact C-N 3.31Å; Y515-F517 PolarHBondContact O-N 2.96Å; F517-Y519 PolarHBondContact O-N 2.67Å; F517-M520 PolarHBondContact O-N 2.84Å; F517-A521 WeakPolarHBondContact O-CB 3.45Å; F517-A521 PolarHBondContact O-N 3.24Å |
| 518 | I | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.9 | -47.3 | 174.7 | -65.6 | 161.9 | 0 | 0 | 0 | 110.4 | T472 V475 I476 L479 V494 I498 V509 Q514 Y515 R516 A521 V522 | T472-I518 HydrophobicContact CG2-CD1 4.45Å; T472-I518 HydrophobicContact CG2-CG1 3.92Å; V475-I518 HydrophobicContact CB-CD1 4.22Å; V475-I518 HydrophobicContact CG1-CD1 3.96Å; V475-I518 HydrophobicContact CG1-CG2 3.95Å; I476-I518 HydrophobicContact CD1-CG1 4.34Å; I476-I518 HydrophobicContact CG1-CB 4.22Å; I476-I518 HydrophobicContact CG1-CG1 3.93Å; I476-I518 HydrophobicContact CG1-CG2 4.13Å; L479-I518 HydrophobicContact CD1-CG2 3.7Å; V494-I518 HydrophobicContact CG1-CB 4.48Å; V494-I518 HydrophobicContact CG1-CG2 3.81Å; I498-I518 HydrophobicContact CD1-CD1 3.87Å; I498-I518 HydrophobicContact CG1-CD1 4.41Å; V509-I518 HydrophobicContact CG1-CD1 4.02Å; V509-I518 HydrophobicContact CG2-CD1 3.78Å; Q514-I518 WeakPolarHBondContact O-CG1 3.28Å; Q514-I518 PolarHBondContact O-N 3.41Å; Q514-I518 VanDerWaalsContact O-N 3.09Å; Y515-I518 WeakPolarHBondContact O-CB 3.34Å; Y515-I518 PolarHBondContact O-N 2.82Å; R516-I518 VanDerWaalsContact C-N 3.28Å; R516-I518 PolarHBondContact O-N 2.84Å; I518-A521 PolarHBondContact O-N 3.43Å; I518-V522 WeakPolarHBondContact O-CG2 3.17Å; I518-V522 PolarHBondContact O-N 3.19Å |
| 519 | Y | 97.4 | Very high | 95.5 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 0% | 0.004 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.2 | -46 | 176.8 | -86.2 | -91.7 | 0 | 0 | 0 | 112.3 | I226 R229 V230 L233 F247 E250 V494 Y515 R516 F517 A521 V522 Q523 | I226-Y519 HydrophobicContact CD1-CD1 3.59Å; I226-Y519 HydrophobicContact CD1-CE1 4.01Å; R229-Y519 HydrophobicContact CG-CE1 4.09Å; V230-Y519 HydrophobicContact CG2-CD1 4.13Å; L233-Y519 HydrophobicContact CD1-CD1 4.28Å; L233-Y519 HydrophobicContact CD1-CE1 3.88Å; L233-Y519 HydrophobicContact CD1-CE2 4.34Å; F247-Y519 HydrophobicContact CD1-CD2 4.16Å; F247-Y519 HydrophobicContact CE1-CD1 4.2Å; F247-Y519 AromaticContact CE1-CD2 3.56Å; F247-Y519 HydrophobicContact CE1-CD2 3.56Å; F247-Y519 HydrophobicContact CE1-CE2 4.16Å; F247-Y519 AromaticContact CE1-CG 3.57Å; F247-Y519 HydrophobicContact CE1-CG 3.57Å; F247-Y519 HydrophobicContact CZ-CG 4.27Å; E250-Y519 WeakPolarHBondContact OE1-CE2 3.38Å; E250-Y519 VanDerWaalsContact OE1-CZ 3.31Å; E250-Y519 PolarHBondContact OE1-OH 3.05Å; E250-Y519 PolarHBondContact OE2-OH 3Å; V494-Y519 HydrophobicContact CB-CD2 4.35Å; V494-Y519 HydrophobicContact CB-CE1 4.38Å; V494-Y519 HydrophobicContact CB-CE2 3.65Å; V494-Y519 HydrophobicContact CG1-CD2 4.06Å; V494-Y519 HydrophobicContact CG1-CE2 3.65Å; V494-Y519 HydrophobicContact CG2-CD1 4.28Å; V494-Y519 HydrophobicContact CG2-CD2 4.23Å; V494-Y519 HydrophobicContact CG2-CE1 3.85Å; V494-Y519 HydrophobicContact CG2-CE2 3.86Å; V494-Y519 HydrophobicContact CG2-CG 4.44Å; Y515-Y519 HydrophobicContact CD1-CD2 4.37Å; Y515-Y519 HydrophobicContact CD1-CE2 4.19Å; Y515-Y519 HydrophobicContact CE1-CD2 4.1Å; Y515-Y519 AromaticContact CE1-CE2 3.49Å; Y515-Y519 HydrophobicContact CE1-CE2 3.49Å; Y515-Y519 VanDerWaalsContact CE1-CE2 3.49Å; Y515-Y519 HydrophobicContact CE2-CE2 4.48Å; Y515-Y519 AromaticContact CZ-CE2 3.67Å; Y515-Y519 PolarHBondContact O-N 3.31Å; R516-Y519 WeakPolarHBondContact O-CB 3.43Å; R516-Y519 PolarHBondContact O-N 2.87Å; R516-Y519 VanDerWaalsContact O-N 3.15Å; F517-Y519 PolarHBondContact O-N 2.67Å; Y519-A521 VanDerWaalsContact C-N 3.31Å; Y519-A521 PolarHBondContact O-N 3.24Å; Y519-V522 PolarHBondContact O-N 2.89Å; Y519-Q523 WeakPolarHBondContact O-CB 3.38Å; Y519-Q523 PolarHBondContact O-N 3.26Å |
| 520 | M | 97 | Very high | 95 | Very high | 63 Ų | 63 | 27.6 Ų | 27.6 | 31% | 0.31 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -61.4 | -40.3 | 177.8 | -64.1 | -58.2 | -54.9 | 0 | 0 | 111.8 | V230 R516 F517 Q523 H524 | V230-M520 HydrophobicContact CG1-SD 3.8Å; R516-M520 HydrophobicContact CG-CG 4.41Å; R516-M520 WeakPolarHBondContact O-CG 3.35Å; R516-M520 PolarHBondContact O-N 3.45Å; F517-M520 PolarHBondContact O-N 2.84Å; M520-Q523 PolarHBondContact O-N 3.2Å; M520-H524 WeakPolarHBondContact O-CB 3.45Å; M520-H524 PolarHBondContact O-N 3.27Å |
| 521 | A | 98 | Very high | 94.7 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.5 | -44.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | P436 L440 I476 F517 I518 Y519 H524 Y525 | P436-A521 HydrophobicContact CB-CB 3.87Å; L440-A521 WeakPolarHBondContact CD1-O 3.39Å; L440-A521 HydrophobicContact CD2-CB 4.18Å; I476-A521 HydrophobicContact CD1-CB 3.83Å; I476-A521 HydrophobicContact CG1-CB 4.18Å; I476-A521 HydrophobicContact CG2-CB 4.1Å; F517-A521 WeakPolarHBondContact O-CB 3.45Å; F517-A521 PolarHBondContact O-N 3.24Å; I518-A521 PolarHBondContact O-N 3.43Å; Y519-A521 VanDerWaalsContact C-N 3.31Å; Y519-A521 PolarHBondContact O-N 3.24Å; A521-H524 PolarHBondContact O-N 3.4Å; A521-Y525 WeakPolarHBondContact O-CB 3.15Å; A521-Y525 PolarHBondContact O-N 2.81Å |
| 522 | V | 97.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.2 | -42.4 | 176.3 | 174.4 | 0 | 0 | 0 | 0 | 111 | I226 L479 I483 I492 I518 Y519 Y525 I526 | I226-V522 HydrophobicContact CD1-CG1 4.44Å; I226-V522 HydrophobicContact CG1-CG1 4.23Å; L479-V522 HydrophobicContact CB-CG2 3.95Å; L479-V522 HydrophobicContact CD1-CG2 3.91Å; I483-V522 HydrophobicContact CD1-CG1 3.83Å; I492-V522 HydrophobicContact CD1-CG1 3.88Å; I518-V522 WeakPolarHBondContact O-CG2 3.17Å; I518-V522 PolarHBondContact O-N 3.19Å; Y519-V522 PolarHBondContact O-N 2.89Å; V522-Y525 PolarHBondContact O-N 3.08Å; V522-I526 HydrophobicContact CG1-CD1 4Å; V522-I526 WeakPolarHBondContact O-CG1 3.14Å; V522-I526 PolarHBondContact O-N 3.36Å |
| 523 | Q | 96.5 | Very high | 94 | Very high | 25 Ų | 25 | 38.8 Ų | 38.8 | 12% | 0.117 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -56.4 | -54.8 | 174.1 | 179.3 | -171 | -12.2 | 0 | 0 | 111.4 | I226 V230 Y519 M520 Y525 I526 E527 | I226-Q523 HydrophobicContact CG1-CB 4.15Å; I226-Q523 HydrophobicContact CG2-CB 4.12Å; I226-Q523 HydrophobicContact CG2-CG 4.29Å; V230-Q523 VanDerWaalsContact CG1-OE1 3.31Å; V230-Q523 HydrophobicContact CG2-CB 4.45Å; Y519-Q523 WeakPolarHBondContact O-CB 3.38Å; Y519-Q523 PolarHBondContact O-N 3.26Å; M520-Q523 PolarHBondContact O-N 3.2Å; Q523-Y525 VanDerWaalsContact C-N 3.28Å; Q523-Y525 PolarHBondContact O-N 2.87Å; Q523-I526 PolarHBondContact O-N 2.78Å; Q523-I526 VanDerWaalsContact O-N 3.13Å; Q523-E527 HydrophobicContact CG-CG 4.47Å; Q523-E527 VanDerWaalsContact CG-OE1 3.31Å; Q523-E527 WeakPolarHBondContact CG-OE1 3.33Å; Q523-E527 PolarHBondContact NE2-OE1 2.84Å; Q523-E527 WeakPolarHBondContact O-CG 3.43Å; Q523-E527 PolarHBondContact O-N 2.71Å |
| 524 | H | 96.8 | Very high | 93.6 | Very high | 58 Ų | 58 | 42.1 Ų | 42.1 | 27% | 0.269 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.1 | -36.5 | -178 | -175.4 | -78.3 | 0 | 0 | 0 | 112.4 | P436 L440 M520 A521 T528 | P436-H524 HydrophobicContact CG-CB 3.7Å; L440-H524 HydrophobicContact CD1-CB 3.85Å; L440-H524 VanDerWaalsContact CD1-ND1 3.28Å; L440-H524 WeakPolarHBondContact CD1-ND1 3.39Å; M520-H524 WeakPolarHBondContact O-CB 3.45Å; M520-H524 PolarHBondContact O-N 3.27Å; A521-H524 PolarHBondContact O-N 3.4Å; H524-T528 WeakPolarHBondContact O-CB 3.36Å; H524-T528 PolarHBondContact O-N 2.96Å; H524-T528 PolarHBondContact O-OG1 2.81Å |
| 525 | Y | 97 | Very high | 93.1 | Very high | 11 Ų | 11 | 47.3 Ų | 47.3 | 4% | 0.043 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.4 | -47.5 | 173.8 | 178.2 | -102.4 | 0 | 0 | 0 | 111.8 | E444 I480 I483 A521 V522 Q523 T528 L529 | E444-Y525 WeakPolarHBondContact OE1-CE2 3.37Å; I480-Y525 HydrophobicContact CB-CE1 4.48Å; I480-Y525 HydrophobicContact CD1-CD2 4.1Å; I480-Y525 HydrophobicContact CD1-CG 4.01Å; I480-Y525 HydrophobicContact CG1-CD1 3.97Å; I480-Y525 HydrophobicContact CG1-CD2 4.35Å; I480-Y525 HydrophobicContact CG1-CE1 4.38Å; I480-Y525 HydrophobicContact CG1-CG 3.94Å; I480-Y525 HydrophobicContact CG2-CD1 4.3Å; I480-Y525 HydrophobicContact CG2-CD2 4.25Å; I480-Y525 HydrophobicContact CG2-CE1 3.88Å; I480-Y525 HydrophobicContact CG2-CE2 3.86Å; I480-Y525 HydrophobicContact CG2-CG 4.46Å; I483-Y525 HydrophobicContact CB-CE1 4.14Å; I483-Y525 HydrophobicContact CD1-CD1 4.37Å; I483-Y525 HydrophobicContact CG2-CD1 4.32Å; I483-Y525 HydrophobicContact CG2-CE1 3.82Å; A521-Y525 WeakPolarHBondContact O-CB 3.15Å; A521-Y525 PolarHBondContact O-N 2.81Å; V522-Y525 PolarHBondContact O-N 3.08Å; Q523-Y525 VanDerWaalsContact C-N 3.28Å; Q523-Y525 PolarHBondContact O-N 2.87Å; Y525-T528 PolarHBondContact O-N 3.48Å; Y525-L529 HydrophobicContact CE1-CD2 4.22Å; Y525-L529 WeakPolarHBondContact O-CB 3.46Å; Y525-L529 PolarHBondContact O-N 2.91Å |
| 526 | I | 92.8 | Very high | 92.5 | Very high | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.015 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.2 | -44.4 | -179.8 | -69.3 | 179.4 | 0 | 0 | 0 | 111.3 | A223 I226 I483 V488 V522 Q523 T528 L529 Q530 | A223-I526 HydrophobicContact CB-CD1 3.64Å; A223-I526 WeakPolarHBondContact O-CD1 3.32Å; I226-I526 HydrophobicContact CB-CD1 4.41Å; I226-I526 HydrophobicContact CG2-CB 4.36Å; I226-I526 HydrophobicContact CG2-CD1 3.87Å; I226-I526 HydrophobicContact CG2-CG2 4.48Å; I483-I526 HydrophobicContact CD1-CD1 3.74Å; I483-I526 HydrophobicContact CD1-CG1 3.95Å; I483-I526 HydrophobicContact CG1-CD1 4.47Å; I483-I526 HydrophobicContact CG2-CG1 4.36Å; V488-I526 HydrophobicContact CG1-CG2 4.33Å; V522-I526 HydrophobicContact CG1-CD1 4Å; V522-I526 WeakPolarHBondContact O-CG1 3.14Å; V522-I526 PolarHBondContact O-N 3.36Å; Q523-I526 PolarHBondContact O-N 2.78Å; Q523-I526 VanDerWaalsContact O-N 3.13Å; I526-T528 VanDerWaalsContact C-N 3.3Å; I526-T528 PolarHBondContact O-N 3.42Å; I526-L529 PolarHBondContact O-N 2.78Å; I526-Q530 HydrophobicContact CG2-CG 4.28Å; I526-Q530 WeakPolarHBondContact O-CB 3.37Å; I526-Q530 WeakPolarHBondContact O-CG 3.44Å; I526-Q530 PolarHBondContact O-N 3.5Å |
| 527 | E | 93.2 | Very high | 91.9 | Very high | 71 Ų | 71 | 52.8 Ų | 52.8 | 33% | 0.332 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -57.5 | -44.2 | 175.4 | -72.5 | 172.9 | -174.2 | 0 | 0 | 111.4 | Q523 Q530 R531 | Q523-E527 HydrophobicContact CG-CG 4.47Å; Q523-E527 VanDerWaalsContact CG-OE1 3.31Å; Q523-E527 WeakPolarHBondContact CG-OE1 3.33Å; Q523-E527 PolarHBondContact NE2-OE1 2.84Å; Q523-E527 WeakPolarHBondContact O-CG 3.43Å; Q523-E527 PolarHBondContact O-N 2.71Å; E527-Q530 PolarHBondContact O-N 3.01Å; E527-R531 WeakPolarHBondContact O-CB 3.34Å; E527-R531 PolarHBondContact O-N 3.38Å |
| 528 | T | 92.4 | Very high | 91.2 | Very high | 24 Ų | 24 | 58.2 Ų | 58.2 | 15% | 0.147 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.6 | -35.7 | 178.6 | -59 | 0 | 0 | 0 | 0 | 112.1 | H524 Y525 I526 R532 | H524-T528 WeakPolarHBondContact O-CB 3.36Å; H524-T528 PolarHBondContact O-N 2.96Å; H524-T528 PolarHBondContact O-OG1 2.81Å; Y525-T528 PolarHBondContact O-N 3.48Å; I526-T528 VanDerWaalsContact C-N 3.3Å; I526-T528 PolarHBondContact O-N 3.42Å; T528-R532 WeakPolarHBondContact O-CG 3.41Å; T528-R532 PolarHBondContact O-N 3.18Å; T528-R532 PolarHBondContact O-NE 3Å |
| 529 | L | 88.9 | Confident | 90.4 | Very high | 36 Ų | 36 | 62.2 Ų | 62.2 | 19% | 0.188 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.7 | -46.3 | 175.6 | -179.6 | 60.1 | 0 | 0 | 0 | 111.5 | I483 V488 Y525 I526 R531 R532 I533 | I483-L529 HydrophobicContact CG2-CD2 3.98Å; V488-L529 HydrophobicContact CG1-CD2 3.89Å; V488-L529 HydrophobicContact CG1-CG 4.46Å; Y525-L529 HydrophobicContact CE1-CD2 4.22Å; Y525-L529 WeakPolarHBondContact O-CB 3.46Å; Y525-L529 PolarHBondContact O-N 2.91Å; I526-L529 PolarHBondContact O-N 2.78Å; L529-R531 PolarHBondContact O-N 3.23Å; L529-R532 PolarHBondContact O-N 3Å; L529-I533 HydrophobicContact CD1-CD1 4.26Å; L529-I533 HydrophobicContact CG-CD1 4.04Å; L529-I533 WeakPolarHBondContact O-CG1 3.2Å; L529-I533 PolarHBondContact O-N 3.19Å |
| 530 | Q | 86.4 | Confident | 89.3 | Confident | 69 Ų | 69 | 68.6 Ų | 68.6 | 32% | 0.322 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.4 | -46.2 | 176.8 | -74.8 | 174.3 | -21.3 | 0 | 0 | 111.3 | V488 I526 E527 R532 I533 E534 | V488-Q530 HydrophobicContact CG1-CG 4.34Å; I526-Q530 HydrophobicContact CG2-CG 4.28Å; I526-Q530 WeakPolarHBondContact O-CB 3.37Å; I526-Q530 WeakPolarHBondContact O-CG 3.44Å; I526-Q530 PolarHBondContact O-N 3.5Å; E527-Q530 PolarHBondContact O-N 3.01Å; Q530-R532 VanDerWaalsContact C-N 3.34Å; Q530-R532 PolarHBondContact O-N 3.01Å; Q530-I533 PolarHBondContact O-N 3.39Å; Q530-E534 WeakPolarHBondContact O-CG 3.32Å; Q530-E534 PolarHBondContact O-N 2.99Å |
| 531 | R | 89.1 | Confident | 88.2 | Confident | 133 Ų | 133 | 73.8 Ų | 73.8 | 50% | 0.502 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -57.5 | -44.4 | 175.6 | -175.6 | 174.7 | 62.2 | -134.4 | -3.9 | 112.2 | E527 L529 E534 E535 | E527-R531 WeakPolarHBondContact O-CB 3.34Å; E527-R531 PolarHBondContact O-N 3.38Å; L529-R531 PolarHBondContact O-N 3.23Å; R531-E534 PolarHBondContact O-N 3.47Å; R531-E535 WeakPolarHBondContact O-CG 3.45Å; R531-E535 PolarHBondContact O-N 2.92Å |
| 532 | R | 87.6 | Confident | 86.6 | Confident | 109 Ų | 109 | 80.8 Ų | 80.8 | 41% | 0.411 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.4 | -45.3 | 175.8 | -79.1 | -174.6 | -84.1 | -169.4 | -2.6 | 111.9 | T528 L529 Q530 E534 E535 E536 | T528-R532 WeakPolarHBondContact O-CG 3.41Å; T528-R532 PolarHBondContact O-N 3.18Å; T528-R532 PolarHBondContact O-NE 3Å; L529-R532 PolarHBondContact O-N 3Å; Q530-R532 VanDerWaalsContact C-N 3.34Å; Q530-R532 PolarHBondContact O-N 3.01Å; R532-E534 PolarHBondContact O-N 3.48Å; R532-E535 PolarHBondContact O-N 3.35Å; R532-E536 WeakPolarHBondContact O-CG 3.35Å; R532-E536 PolarHBondContact O-N 3.35Å |
| 533 | I | 83.6 | Confident | 84.6 | Confident | 69 Ų | 69 | 83.5 Ų | 83.5 | 35% | 0.354 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.5 | -44.4 | 177.7 | -67.3 | 165.9 | 0 | 0 | 0 | 111.1 | L529 Q530 E536 Q537 | L529-I533 HydrophobicContact CD1-CD1 4.26Å; L529-I533 HydrophobicContact CG-CD1 4.04Å; L529-I533 WeakPolarHBondContact O-CG1 3.2Å; L529-I533 PolarHBondContact O-N 3.19Å; Q530-I533 PolarHBondContact O-N 3.39Å; I533-E536 PolarHBondContact O-N 2.99Å; I533-Q537 WeakPolarHBondContact O-CG 3.45Å; I533-Q537 PolarHBondContact O-N 3.44Å |
| 534 | E | 85.7 | Confident | 82.6 | Confident | 105 Ų | 105 | 89.1 Ų | 89.1 | 49% | 0.491 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.1 | -42 | 177.8 | -73.5 | -177.2 | -168 | 0 | 0 | 112.8 | Q530 R531 R532 Q537 K538 | Q530-E534 WeakPolarHBondContact O-CG 3.32Å; Q530-E534 PolarHBondContact O-N 2.99Å; R531-E534 PolarHBondContact O-N 3.47Å; R532-E534 PolarHBondContact O-N 3.48Å; E534-Q537 PolarHBondContact O-N 2.89Å; E534-K538 WeakPolarHBondContact O-CB 3.37Å; E534-K538 VanDerWaalsContact O-CG 3.29Å; E534-K538 WeakPolarHBondContact O-CG 3.35Å; E534-K538 PolarHBondContact O-N 3.37Å; E534-K538 IonicContact OE2-NZ 3.77Å |
| 535 | E | 86.4 | Confident | 80.2 | Confident | 110 Ų | 110 | 93.4 Ų | 93.4 | 51% | 0.514 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.4 | -43.2 | 177.6 | -75 | 172.9 | -177.2 | 0 | 0 | 111.6 | R531 R532 Q537 K538 S539 | R531-E535 WeakPolarHBondContact O-CG 3.45Å; R531-E535 PolarHBondContact O-N 2.92Å; R532-E535 PolarHBondContact O-N 3.35Å; E535-Q537 PolarHBondContact O-N 3.42Å; E535-K538 PolarHBondContact O-N 3.29Å; E535-S539 WeakPolarHBondContact O-CB 3.35Å; E535-S539 PolarHBondContact O-N 3.48Å |
| 536 | E | 84.6 | Confident | 77.9 | Confident | 114 Ų | 114 | 102.2 Ų | 102.2 | 53% | 0.533 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.7 | -41.8 | 173.8 | -75.2 | -176.7 | -170.2 | 0 | 0 | 112.2 | R532 I533 S539 K540 | R532-E536 WeakPolarHBondContact O-CG 3.35Å; R532-E536 PolarHBondContact O-N 3.35Å; I533-E536 PolarHBondContact O-N 2.99Å; E536-S539 PolarHBondContact O-N 2.93Å; E536-K540 WeakPolarHBondContact O-CG 3.29Å; E536-K540 PolarHBondContact O-N 3.37Å |
| 537 | Q | 82.6 | Confident | 75.7 | Confident | 99 Ų | 99 | 107.5 Ų | 107.5 | 46% | 0.463 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.9 | -42 | 175.6 | -73.6 | -169.3 | 10.4 | 0 | 0 | 112 | I533 E534 E535 S539 K540 R541 | I533-Q537 WeakPolarHBondContact O-CG 3.45Å; I533-Q537 PolarHBondContact O-N 3.44Å; E534-Q537 PolarHBondContact O-N 2.89Å; E535-Q537 PolarHBondContact O-N 3.42Å; Q537-S539 VanDerWaalsContact C-N 3.34Å; Q537-K540 PolarHBondContact O-N 3Å; Q537-R541 WeakPolarHBondContact O-CG 3.44Å; Q537-R541 PolarHBondContact O-N 2.87Å |
| 538 | K | 83.6 | Confident | 73.3 | Confident | 122 Ų | 122 | 110.8 Ų | 110.8 | 53% | 0.53 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.8 | -41.8 | 174.6 | -75.5 | 167.9 | -175.4 | 161.2 | 0 | 111.2 | E534 E535 R541 K542 | E534-K538 WeakPolarHBondContact O-CB 3.37Å; E534-K538 VanDerWaalsContact O-CG 3.29Å; E534-K538 WeakPolarHBondContact O-CG 3.35Å; E534-K538 PolarHBondContact O-N 3.37Å; E534-K538 IonicContact OE2-NZ 3.77Å; E535-K538 PolarHBondContact O-N 3.29Å; K538-R541 PolarHBondContact O-N 3Å; K538-K542 PolarHBondContact O-N 3.19Å; K538-K542 VanDerWaalsContact O-N 3.09Å |
| 539 | S | 80.8 | Confident | 71 | Confident | 85 Ų | 85 | 115.5 Ų | 115.5 | 59% | 0.594 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.2 | -43.6 | 177.4 | -169.5 | 0 | 0 | 0 | 0 | 112.1 | E535 E536 Q537 K542 G543 | E535-S539 WeakPolarHBondContact O-CB 3.35Å; E535-S539 PolarHBondContact O-N 3.48Å; E536-S539 PolarHBondContact O-N 2.93Å; Q537-S539 VanDerWaalsContact C-N 3.34Å; S539-K542 PolarHBondContact O-N 3.37Å; S539-G543 PolarHBondContact O-N 3.04Å |
| 540 | K | 75.3 | Confident | 68.6 | Low | 135 Ų | 135 | 123 Ų | 123 | 59% | 0.587 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -61.4 | -44 | 175.3 | -73.9 | 171.5 | -177.9 | 167.8 | 0 | 111.6 | E536 Q537 K542 G543 H544 | E536-K540 WeakPolarHBondContact O-CG 3.29Å; E536-K540 PolarHBondContact O-N 3.37Å; Q537-K540 PolarHBondContact O-N 3Å; K540-K542 PolarHBondContact O-N 3.09Å; K540-G543 PolarHBondContact O-N 3.23Å; K540-H544 PolarHBondContact O-CD2 3.44Å; K540-H544 PolarHBondContact O-N 3.48Å |
| 541 | R | 73.6 | Confident | 66.2 | Low | 172 Ų | 172 | 129.8 Ų | 129.8 | 65% | 0.649 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -60.8 | -43.6 | 176.8 | -72.5 | 177.4 | -170.6 | -175.9 | 6.2 | 112.5 | Q537 K538 G543 H544 E545 | Q537-R541 WeakPolarHBondContact O-CG 3.44Å; Q537-R541 PolarHBondContact O-N 2.87Å; K538-R541 PolarHBondContact O-N 3Å; R541-G543 VanDerWaalsContact C-N 3.33Å; R541-G543 PolarHBondContact O-N 3.21Å; R541-H544 PolarHBondContact O-N 3.34Å; R541-E545 PolarHBondContact O-N 3.46Å |
| 542 | K | 64.4 | Low | 63.6 | Low | 146 Ų | 146 | 128.9 Ų | 128.9 | 64% | 0.635 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -65.4 | -33.2 | 174.8 | -72.6 | -176.5 | 177.5 | -175.3 | 0 | 113.1 | K538 S539 K540 H544 E545 | K538-K542 PolarHBondContact O-N 3.19Å; K538-K542 VanDerWaalsContact O-N 3.09Å; S539-K542 PolarHBondContact O-N 3.37Å; K540-K542 PolarHBondContact O-N 3.09Å; K542-H544 VanDerWaalsContact C-N 3.29Å; K542-H544 PolarHBondContact O-N 3.48Å; K542-E545 PolarHBondContact O-N 3.43Å |
| 543 | G | 56 | Low | 61.5 | Low | 57 Ų | 57 | 132.1 Ų | 132.1 | 59% | 0.588 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -67.3 | -25.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | S539 K540 R541 | S539-G543 PolarHBondContact O-N 3.04Å; K540-G543 PolarHBondContact O-N 3.23Å; R541-G543 VanDerWaalsContact C-N 3.33Å; R541-G543 PolarHBondContact O-N 3.21Å |
| 544 | H | 54.1 | Low | 59.2 | Low | 143 Ų | 143 | 132.8 Ų | 132.8 | 66% | 0.662 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -9 | 175.8 | -72.3 | -70.1 | 0 | 0 | 0 | 114.1 | K540 R541 K542 Y546 | K540-H544 PolarHBondContact O-CD2 3.44Å; K540-H544 PolarHBondContact O-N 3.48Å; R541-H544 PolarHBondContact O-N 3.34Å; K542-H544 VanDerWaalsContact C-N 3.29Å; K542-H544 PolarHBondContact O-N 3.48Å; H544-Y546 VanDerWaalsContact C-N 3.3Å; H544-Y546 PolarHBondContact O-N 3.39Å |
| 545 | E | 46.5 | Very low | 56.7 | Low | 149 Ų | 149 | 135.9 Ų | 135.9 | 70% | 0.696 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -80.2 | -2.2 | -178.5 | -79.8 | 179.4 | 159.2 | 0 | 0 | 114.4 | R541 K542 | R541-E545 PolarHBondContact O-N 3.46Å; K542-E545 PolarHBondContact O-N 3.43Å |
| 546 | Y | 48.1 | Very low | 54.2 | Low | 195 Ų | 195 | 139.3 Ų | 139.3 | 77% | 0.765 | 70% | 0.696 | S | S | * | * | trans | -101.9 | 40.6 | 176.6 | -68.8 | -79.6 | 0 | 0 | 0 | 114.6 | H544 | H544-Y546 VanDerWaalsContact C-N 3.3Å; H544-Y546 PolarHBondContact O-N 3.39Å | ||
| 547 | T | 47.2 | Very low | 51.7 | Low | 115 Ų | 115 | 140.1 Ų | 140.1 | 71% | 0.706 | 71% | 0.709 | S | S | * | * | trans | -96.2 | 8.6 | 172.3 | 57.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 548 | N | 42.6 | Very low | 49.3 | Very low | 139 Ų | 139 | 141.4 Ų | 141.4 | 74% | 0.743 | 73% | 0.729 | S | S | * | * | trans | -118.8 | 25.1 | -168.6 | -62.2 | -12.9 | 0 | 0 | 0 | 115.5 | K550 | N548-K550 VanDerWaalsContact C-N 3.34Å; N548-K550 PolarHBondContact O-N 3.19Å | ||
| 549 | I | 42.9 | Very low | 46.8 | Very low | 123 Ų | 123 | 139.2 Ų | 139.2 | 63% | 0.631 | 74% | 0.741 | S | S | * | * | trans | -86 | 84.3 | 163.3 | -53.5 | -179.8 | 0 | 0 | 0 | 108 | Y551 | I549-Y551 HydrophobicContact CG2-CD2 4Å; I549-Y551 HydrophobicContact CG2-CE2 3.83Å; I549-Y551 PolarHBondContact O-N 3.27Å | ||
| 550 | K | 39 | Very low | 44.4 | Very low | 195 Ų | 195 | 142.1 Ų | 142.1 | 85% | 0.848 | 75% | 0.75 | S | S | * | * | trans | -69.2 | 107.7 | 157.2 | -79.7 | -177.1 | 177 | 179.2 | 0 | 106.8 | N548 S552 | N548-K550 VanDerWaalsContact C-N 3.34Å; N548-K550 PolarHBondContact O-N 3.19Å; K550-S552 PolarHBondContact O-N 3.29Å | ||
| 551 | Y | 36.3 | Very low | 42.2 | Very low | 211 Ų | 211 | 143.8 Ų | 143.8 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | trans | -65.3 | 107.4 | 158.3 | -79.4 | -84.3 | 0 | 0 | 0 | 107.4 | I549 L553 | I549-Y551 HydrophobicContact CG2-CD2 4Å; I549-Y551 HydrophobicContact CG2-CE2 3.83Å; I549-Y551 PolarHBondContact O-N 3.27Å; Y551-L553 PolarHBondContact O-N 3.07Å | ||
| 552 | S | 34.6 | Very low | 40.3 | Very low | 113 Ų | 113 | 140.9 Ų | 140.9 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | trans | -66 | 114.8 | 172.4 | 38 | 0 | 0 | 0 | 0 | 109.5 | K550 A554 | K550-S552 PolarHBondContact O-N 3.29Å; S552-A554 PolarHBondContact O-N 3.12Å; S552-A554 VanDerWaalsContact O-N 3.12Å | ||
| 553 | L | 42.8 | Very low | 39 | Very low | 177 Ų | 177 | 139.5 Ų | 139.5 | 93% | 0.927 | 77% | 0.772 | S | S | * | * | trans | -65.7 | 96.6 | 162.4 | -82.1 | 153.8 | 0 | 0 | 0 | 109.1 | Y551 | Y551-L553 PolarHBondContact O-N 3.07Š| ||
| 554 | A | 35.8 | Very low | 38 | Very low | 83 Ų | 83 | 144.5 Ų | 144.5 | 69% | 0.686 | 78% | 0.784 | S | S | * | * | trans | -172.4 | 87.3 | 154.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | S552 | S552-A554 PolarHBondContact O-N 3.12Å; S552-A554 VanDerWaalsContact O-N 3.12Å | ||
| 555 | D | 33.5 | Very low | 37.3 | Very low | 170 Ų | 170 | 143.3 Ų | 143.3 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | trans | -168.5 | 88.3 | 136.6 | -96.5 | -16 | 0 | 0 | 0 | 107.1 | ||||
| 556 | Q | 34.3 | Very low | 37 | Very low | 183 Ų | 183 | 141.4 Ų | 141.4 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | trans | -105.3 | 110 | 158.8 | -80.2 | -173.5 | 8.2 | 0 | 0 | 107.3 | ||||
| 557 | T | 32.3 | Very low | 36 | Very low | 131 Ų | 131 | 137.2 Ų | 137.2 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -151.7 | 119.9 | 134.8 | 33.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 558 | S | 32.2 | Very low | 35.1 | Very low | 126 Ų | 126 | 138 Ų | 138 | 88% | 0.881 | 79% | 0.792 | S | S | * | * | trans | 66.2 | 119.2 | 150.5 | 58.6 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 559 | G | 29.7 | Very low | 34.7 | Very low | 75 Ų | 75 | 136.8 Ų | 136.8 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | trans | 144.7 | 81.6 | 142.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 560 | D | 30.8 | Very low | 34.2 | Very low | 146 Ų | 146 | 137.1 Ų | 137.1 | 78% | 0.781 | 80% | 0.8 | S | S | * | * | trans | 62.6 | 109.8 | 151.9 | -74.9 | -23.9 | 0 | 0 | 0 | 123.9 | ||||
| 561 | Q | 30.5 | Very low | 34 | Very low | 171 Ų | 171 | 133.5 Ų | 133.5 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | 36.9 | 115.3 | 121.3 | -62.8 | -170.7 | 10.2 | 0 | 0 | 117.3 | |||||
| 562 | S | 32.1 | Very low | 34.2 | Very low | 110 Ų | 110 | 129 Ų | 129 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | 174.7 | 169.5 | 66.7 | -98.9 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 563 | P | 38.8 | Very low | 33.9 | Very low | 118 Ų | 118 | 129.9 Ų | 129.9 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | trans | -104.5 | 159.2 | -141.1 | 38.9 | -34.7 | 0 | 0 | 0 | 117 | ||||
| 564 | L | 34.9 | Very low | 33.2 | Very low | 161 Ų | 161 | 125.8 Ų | 125.8 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | trans | -46.5 | 160.4 | 155.6 | -70.5 | 164.2 | 0 | 0 | 0 | 111.5 | ||||
| 565 | P | 37.6 | Very low | 32.8 | Very low | 118 Ų | 118 | 130.5 Ų | 130.5 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | -159.2 | -156.8 | 70.4 | 51 | -27.7 | 0 | 0 | 0 | 114 | |||||
| 566 | P | 41.6 | Very low | 32.6 | Very low | 109 Ų | 109 | 129.7 Ų | 129.7 | 71% | 0.708 | 79% | 0.79 | S | S | * | * | -133.4 | -174.6 | -117.8 | 31.2 | -3.9 | 0 | 0 | 0 | 115.2 | |||||
| 567 | C | 26.7 | Very low | 32.3 | Very low | 108 Ų | 108 | 130.8 Ų | 130.8 | 73% | 0.73 | 79% | 0.786 | S | S | * | * | trans | 66 | 116.6 | 150.5 | -70.8 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 568 | T | 27.5 | Very low | 32.2 | Very low | 130 Ų | 130 | 132.2 Ų | 132.2 | 80% | 0.798 | 78% | 0.784 | S | S | * | * | trans | 56.8 | 165.8 | 137.1 | 56.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 569 | P | 35.2 | Very low | 32 | Very low | 114 Ų | 114 | 133 Ų | 133 | 74% | 0.74 | 78% | 0.778 | S | S | * | * | cis | -127.7 | -179.3 | -19 | 24.6 | 0.1 | 0 | 0 | 0 | 113.5 | ||||
| 570 | T | 32.7 | Very low | 32 | Very low | 131 Ų | 131 | 134.2 Ų | 134.2 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -35.7 | 150.1 | 165.5 | 37.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 571 | P | 34.1 | Very low | 31.9 | Very low | 118 Ų | 118 | 131.4 Ų | 131.4 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | -158.4 | -148.7 | 72.8 | 39.7 | -15.2 | 0 | 0 | 0 | 113.6 | |||||
| 572 | P | 40.5 | Very low | 31.9 | Very low | 116 Ų | 116 | 134.6 Ų | 134.6 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | -123 | 177.5 | -57.1 | 28.2 | -7.5 | 0 | 0 | 0 | 114.2 | |||||
| 573 | C | 28.5 | Very low | 31.9 | Very low | 132 Ų | 132 | 135.3 Ų | 135.3 | 89% | 0.892 | 78% | 0.776 | S | S | * | * | trans | 7 | 133.1 | 153.1 | -94.1 | 0 | 0 | 0 | 0 | 122 | ||||
| 574 | A | 28 | Very low | 31.5 | Very low | 92 Ų | 92 | 140 Ų | 140 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | 168.1 | 111.9 | 127.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 575 | E | 28.3 | Very low | 31.3 | Very low | 181 Ų | 181 | 140.3 Ų | 140.3 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | 70 | 113.3 | 99.9 | -80.3 | -165.3 | 166.3 | 0 | 0 | 117 | |||||
| 576 | M | 28 | Very low | 30.9 | Very low | 153 Ų | 153 | 142.6 Ų | 142.6 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | trans | 53.7 | 118 | 134.3 | -60.6 | -157.5 | 75.9 | 0 | 0 | 121.7 | ||||
| 577 | R | 28.5 | Very low | 30.5 | Very low | 207 Ų | 207 | 143 Ų | 143 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | 153.7 | 122.4 | 114.1 | -87.3 | -174.7 | 177.6 | -179.6 | -1.8 | 109.8 | |||||
| 578 | E | 29.1 | Very low | 30.7 | Very low | 161 Ų | 161 | 141 Ų | 141 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | 48.1 | 119.4 | 104.2 | -73.7 | 177.2 | 160.9 | 0 | 0 | 111.4 | |||||
| 579 | D | 29.2 | Very low | 30.9 | Very low | 143 Ų | 143 | 142.1 Ų | 142.1 | 77% | 0.765 | 78% | 0.781 | S | S | * | * | -172.4 | 165.5 | 60.2 | -137.1 | -23.2 | 0 | 0 | 0 | 113.1 | |||||
| 580 | S | 29.3 | Very low | 30.7 | Very low | 100 Ų | 100 | 144.2 Ų | 144.2 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | trans | 85.2 | 104.6 | 145.2 | 66.8 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 581 | A | 29 | Very low | 30.6 | Very low | 87 Ų | 87 | 147.3 Ų | 147.3 | 72% | 0.719 | 79% | 0.788 | S | S | * | * | 85.5 | 117 | 115.6 | 0 | 0 | 0 | 0 | 0 | 121 | |||||
| 582 | R | 31.4 | Very low | 30.7 | Very low | 237 Ų | 237 | 150 Ų | 150 | 89% | 0.894 | 79% | 0.79 | S | S | * | * | 163 | 109.8 | 113.3 | -85.4 | 167.9 | -173.4 | -163.9 | 2.5 | 108.9 | |||||
| 583 | V | 31.6 | Very low | 30.3 | Very low | 125 Ų | 125 | 152.9 Ų | 152.9 | 76% | 0.758 | 79% | 0.794 | S | S | * | * | 78.3 | 108.7 | 85.1 | 168 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 584 | Y | 29.8 | Very low | 30.6 | Very low | 217 Ų | 217 | 155.7 Ų | 155.7 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | trans | 76.2 | 116.4 | 151.7 | -80.7 | -101.1 | 0 | 0 | 0 | 122.3 | ||||
| 585 | E | 31.8 | Very low | 30.9 | Very low | 168 Ų | 168 | 155.7 Ų | 155.7 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | -60.9 | 149.3 | 152.2 | -65.7 | 173.1 | 134.4 | 0 | 0 | 111.7 | ||||
| 586 | N | 29.2 | Very low | 31.2 | Very low | 165 Ų | 165 | 156.5 Ų | 156.5 | 88% | 0.882 | 79% | 0.786 | S | S | * | * | -155.8 | 151.4 | 123.6 | -114.5 | -30.8 | 0 | 0 | 0 | 113.8 | |||||
| 587 | V | 32.8 | Very low | 31.8 | Very low | 119 Ų | 119 | 164.5 Ų | 164.5 | 72% | 0.721 | 81% | 0.808 | S | S | * | * | trans | -98.7 | 153.9 | -161.8 | 173.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 588 | G | 29.7 | Very low | 32 | Very low | 65 Ų | 65 | 162.4 Ų | 162.4 | 67% | 0.67 | 81% | 0.81 | S | S | * | * | trans | 99.4 | 149.4 | 137.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 589 | L | 32.1 | Very low | 32.2 | Very low | 153 Ų | 153 | 162.5 Ų | 162.5 | 80% | 0.801 | 81% | 0.813 | S | S | * | * | cis | -174.1 | 149.1 | -0.2 | -121.1 | 160.1 | 0 | 0 | 0 | 106.3 | ||||
| 590 | M | 31.7 | Very low | 32.3 | Very low | 158 Ų | 158 | 163.6 Ų | 163.6 | 78% | 0.778 | 82% | 0.815 | S | S | * | * | trans | 1.2 | 138 | 159.7 | -68.4 | 173.2 | 91.1 | 0 | 0 | 121 | ||||
| 591 | Q | 31 | Very low | 32.5 | Very low | 196 Ų | 196 | 167.3 Ų | 167.3 | 92% | 0.916 | 82% | 0.822 | S | S | * | * | -164.1 | 138.3 | 113.4 | -113.7 | 174.4 | 15.9 | 0 | 0 | 114.1 | |||||
| 592 | Q | 35.7 | Very low | 32.7 | Very low | 174 Ų | 174 | 172.3 Ų | 172.3 | 81% | 0.813 | 83% | 0.828 | S | S | * | * | trans | -76.6 | 148.9 | 167 | -68.7 | 174.5 | -20.6 | 0 | 0 | 111.2 | ||||
| 593 | Q | 31.8 | Very low | 32.8 | Very low | 178 Ų | 178 | 168 Ų | 168 | 83% | 0.832 | 82% | 0.824 | S | S | * | * | -170.8 | 122 | 124.5 | -106.5 | -178.8 | 17.2 | 0 | 0 | 114.3 | |||||
| 594 | K | 35.3 | Very low | 32.9 | Very low | 190 Ų | 190 | 171.1 Ų | 171.1 | 83% | 0.826 | 83% | 0.829 | S | S | * | * | trans | 52 | 122.6 | 133.9 | -72.8 | -177.6 | 176.1 | -179.9 | 0 | 123.4 | ||||
| 595 | S | 33.3 | Very low | 33.2 | Very low | 92 Ų | 92 | 167.5 Ų | 167.5 | 64% | 0.643 | 83% | 0.827 | S | S | * | * | 75.3 | 119.7 | 125.2 | -162.7 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 596 | F | 34.5 | Very low | 33.3 | Very low | 199 Ų | 199 | 167.5 Ų | 167.5 | 87% | 0.873 | 83% | 0.831 | S | S | * | * | -177.9 | 137 | 104.8 | -103.6 | -77.9 | 0 | 0 | 0 | 111.5 | |||||
| 597 | R | 42.3 | Very low | 33.6 | Very low | 321 Ų | 321 | 167.7 Ų | 167.7 | 100% | 1.211 | 83% | 0.826 | S | S | * | * | trans | 82.3 | 0 | 173.6 | -68.3 | -170.5 | 178.1 | -174.8 | 0.4 | 118.5 |
Retrieved 597 of 597 residues in 2987.1 ms
(Link to these results)