| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 44.1 | Very low | 71.1 | Confident | 218 Ų | 218 | 86.1 Ų | 86.1 | 100% | 1.074 | 44% | 0.438 | S | S | * | . | 0 | -26.6 | 0 | -146.5 | 171.9 | 177.1 | 0 | 0 | 113.9 | |||||
| 2 | I | 47.1 | Very low | 73 | Confident | 139 Ų | 139 | 83.8 Ų | 83.8 | 71% | 0.713 | 43% | 0.431 | S | S | * | . | trans | -67.7 | -33.4 | 174.9 | -67 | 165 | 0 | 0 | 0 | 112.5 | N4 K5 M6 | I2-N4 PolarHBondContact O-N 3.37Å; I2-K5 PolarHBondContact O-N 3.46Å; I2-M6 HydrophobicContact CG2-SD 4.34Å | ||
| 3 | S | 52.8 | Low | 74.5 | Confident | 66 Ų | 66 | 84.6 Ų | 84.6 | 46% | 0.462 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -50.7 | -47.3 | -179.7 | -157.5 | 0 | 0 | 0 | 0 | 113.5 | K5 M6 I74 | S3-K5 VanDerWaalsContact C-N 3.32Å; S3-K5 PolarHBondContact O-N 3.37Å; S3-M6 PolarHBondContact O-N 2.96Å; S3-I74 WeakPolarHBondContact O-CG2 3.44Å; S3-I74 WeakPolarHBondContact OG-CG2 3.29Å |
| 4 | N | 57.1 | Low | 75.9 | Confident | 69 Ų | 69 | 78.6 Ų | 78.6 | 37% | 0.369 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -71.5 | -22.3 | -173.2 | -70.6 | -7 | 0 | 0 | 0 | 114.4 | I2 Q76 | I2-N4 PolarHBondContact O-N 3.37Å; N4-Q76 PolarHBondContact ND2-OE1 3.48Å |
| 5 | K | 63.7 | Low | 77.2 | Confident | 175 Ų | 175 | 73.3 Ų | 73.3 | 76% | 0.761 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -79.6 | -22.3 | -179.9 | -70.4 | -162.4 | 177.2 | -165.3 | 0 | 112.9 | I2 S3 P9 | I2-K5 PolarHBondContact O-N 3.46Å; S3-K5 VanDerWaalsContact C-N 3.32Å; S3-K5 PolarHBondContact O-N 3.37Å; K5-P9 WeakPolarHBondContact O-CD 3.35Å; K5-P9 WeakPolarHBondContact O-CG 3.3Å |
| 6 | M | 77.2 | Confident | 78.3 | Confident | 108 Ų | 108 | 74.3 Ų | 74.3 | 53% | 0.532 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -88 | -18.9 | -176.1 | -68.4 | -175.6 | 67.7 | 0 | 0 | 113.8 | I2 S3 P9 L10 | I2-M6 HydrophobicContact CG2-SD 4.34Å; S3-M6 PolarHBondContact O-N 2.96Å; M6-P9 WeakPolarHBondContact O-CD 3.49Å; M6-L10 WeakPolarHBondContact O-CB 3.31Å; M6-L10 PolarHBondContact O-N 2.86Å; M6-L10 VanDerWaalsContact O-N 3.11Å |
| 7 | G | 82 | Confident | 79.3 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.8 | -48.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | L10 A11 S75 | G7-L10 PolarHBondContact O-N 3.42Å; G7-A11 PolarHBondContact O-N 3.35Å; G7-S75 VanDerWaalsContact CA-OG 3.26Å; G7-S75 WeakPolarHBondContact CA-OG 3.35Å |
| 8 | Y | 85.6 | Confident | 80.2 | Confident | 62 Ų | 62 | 67.8 Ų | 67.8 | 24% | 0.243 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68.1 | -45.2 | -179.9 | -56.6 | -68.9 | 0 | 0 | 0 | 113.7 | L10 A11 V12 A80 V124 | Y8-L10 VanDerWaalsContact C-N 3.25Å; Y8-L10 PolarHBondContact O-N 3.36Å; Y8-A11 WeakPolarHBondContact O-CB 3.31Å; Y8-A11 PolarHBondContact O-N 3.02Å; Y8-A11 VanDerWaalsContact O-N 3.13Å; Y8-V12 WeakPolarHBondContact O-CG2 3.43Å; Y8-V12 PolarHBondContact O-N 3.34Å; Y8-A80 HydrophobicContact CE1-CB 3.86Å; Y8-V124 HydrophobicContact CE1-CG2 3.86Å; Y8-V124 HydrophobicContact CE2-CG1 4.36Å |
| 9 | P | 89.7 | Confident | 81 | Confident | 69 Ų | 69 | 64.2 Ų | 64.2 | 45% | 0.448 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -54 | -42.1 | 171.1 | -27.5 | 33.7 | 0 | 0 | 0 | 112.9 | K5 M6 A11 V12 I13 | K5-P9 WeakPolarHBondContact O-CD 3.35Å; K5-P9 WeakPolarHBondContact O-CG 3.3Å; M6-P9 WeakPolarHBondContact O-CD 3.49Å; P9-A11 VanDerWaalsContact C-N 3.35Å; P9-A11 PolarHBondContact O-N 3.09Å; P9-V12 PolarHBondContact O-N 3.19Å; P9-I13 WeakPolarHBondContact O-CG1 3.48Å; P9-I13 PolarHBondContact O-N 3.31Å |
| 10 | L | 90.6 | Very high | 81.6 | Confident | 41 Ų | 41 | 62.7 Ų | 62.7 | 22% | 0.215 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.4 | -37.9 | 178.2 | -137.9 | 83.5 | 0 | 0 | 0 | 112 | M6 G7 Y8 V12 I13 S14 T70 A71 | M6-L10 WeakPolarHBondContact O-CB 3.31Å; M6-L10 PolarHBondContact O-N 2.86Å; M6-L10 VanDerWaalsContact O-N 3.11Å; G7-L10 PolarHBondContact O-N 3.42Å; Y8-L10 VanDerWaalsContact C-N 3.25Å; Y8-L10 PolarHBondContact O-N 3.36Å; L10-V12 VanDerWaalsContact C-N 3.34Å; L10-I13 PolarHBondContact O-N 3.49Å; L10-S14 WeakPolarHBondContact O-CB 3.11Å; L10-S14 PolarHBondContact O-N 2.94Å; L10-T70 HydrophobicContact CD2-CG2 3.43Å; L10-T70 VanDerWaalsContact CD2-CG2 3.43Å; L10-A71 HydrophobicContact CB-CB 3.96Å; L10-A71 HydrophobicContact CD2-CB 4.31Å |
| 11 | A | 92 | Very high | 82.2 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.8 | -41.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | G7 Y8 P9 S14 G15 A71 A81 T84 N85 | G7-A11 PolarHBondContact O-N 3.35Å; Y8-A11 WeakPolarHBondContact O-CB 3.31Å; Y8-A11 PolarHBondContact O-N 3.02Å; Y8-A11 VanDerWaalsContact O-N 3.13Å; P9-A11 VanDerWaalsContact C-N 3.35Å; P9-A11 PolarHBondContact O-N 3.09Å; A11-S14 PolarHBondContact O-N 3.27Å; A11-G15 PolarHBondContact O-N 2.97Å; A11-A71 HydrophobicContact CB-CB 4.1Å; A11-A81 HydrophobicContact CB-CB 4.42Å; A11-A81 WeakPolarHBondContact CB-O 3.34Å; A11-T84 HydrophobicContact CB-CG2 4.25Å; A11-N85 HydrophobicContact CB-CB 4.23Å; A11-N85 WeakPolarHBondContact O-CA 3.38Å; A11-N85 PolarHBondContact O-ND2 3.41Å |
| 12 | V | 93.7 | Very high | 84.5 | Confident | 59 Ų | 59 | 53.4 Ų | 53.4 | 36% | 0.358 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.6 | -47.7 | 175.1 | 174.8 | 0 | 0 | 0 | 0 | 110.8 | Y8 P9 L10 S14 G15 F16 T84 S88 F92 | Y8-V12 WeakPolarHBondContact O-CG2 3.43Å; Y8-V12 PolarHBondContact O-N 3.34Å; P9-V12 PolarHBondContact O-N 3.19Å; L10-V12 VanDerWaalsContact C-N 3.34Å; V12-S14 VanDerWaalsContact C-N 3.33Å; V12-S14 PolarHBondContact O-N 2.61Å; V12-G15 PolarHBondContact O-N 2.89Å; V12-G15 VanDerWaalsContact O-N 3.08Å; V12-F16 PolarHBondContact O-N 3.27Å; V12-T84 HydrophobicContact CG2-CG2 3.7Å; V12-S88 PolarHBondContact O-OG 3.36Å; V12-F92 HydrophobicContact CG1-CE2 4.41Å |
| 13 | I | 93.7 | Very high | 86.7 | Confident | 94 Ų | 94 | 48.2 Ų | 48.2 | 48% | 0.482 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.5 | -45.2 | 177.2 | -67.4 | 166.1 | 0 | 0 | 0 | 110.7 | P9 L10 G15 F16 C17 | P9-I13 WeakPolarHBondContact O-CG1 3.48Å; P9-I13 PolarHBondContact O-N 3.31Å; L10-I13 PolarHBondContact O-N 3.49Å; I13-G15 VanDerWaalsContact C-N 3.26Å; I13-G15 PolarHBondContact O-N 3.24Å; I13-F16 WeakPolarHBondContact O-CB 3.41Å; I13-F16 PolarHBondContact O-N 3.43Å; I13-C17 PolarHBondContact O-N 2.92Å |
| 14 | S | 93.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.2 | -38.7 | 175.8 | 174.2 | 0 | 0 | 0 | 0 | 111.4 | L10 A11 V12 C17 A18 M64 L68 N85 | L10-S14 WeakPolarHBondContact O-CB 3.11Å; L10-S14 PolarHBondContact O-N 2.94Å; A11-S14 PolarHBondContact O-N 3.27Å; V12-S14 VanDerWaalsContact C-N 3.33Å; V12-S14 PolarHBondContact O-N 2.61Å; S14-C17 PolarHBondContact O-N 3.46Å; S14-A18 WeakPolarHBondContact O-CB 3.31Å; S14-A18 PolarHBondContact O-N 2.92Å; S14-M64 WeakPolarHBondContact O-CG 3.43Å; S14-M64 PolarHBondContact OG-O 2.82Å; S14-L68 WeakPolarHBondContact OG-CB 3.39Å; S14-L68 PolarHBondContact OG-N 3.2Å; S14-N85 WeakPolarHBondContact CB-ND2 3.38Å; S14-N85 PolarHBondContact OG-ND2 3.45Å |
| 15 | G | 95.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.6 | -37.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | A11 V12 I13 A18 A19 N85 N89 | A11-G15 PolarHBondContact O-N 2.97Å; V12-G15 PolarHBondContact O-N 2.89Å; V12-G15 VanDerWaalsContact O-N 3.08Å; I13-G15 VanDerWaalsContact C-N 3.26Å; I13-G15 PolarHBondContact O-N 3.24Å; G15-A18 WeakPolarHBondContact O-CB 3.2Å; G15-A18 PolarHBondContact O-N 3.28Å; G15-A19 PolarHBondContact O-N 2.86Å; G15-N85 WeakPolarHBondContact CA-ND2 3.48Å; G15-N85 WeakPolarHBondContact CA-O 3.15Å; G15-N85 PolarHBondContact N-ND2 3.27Å; G15-N89 WeakPolarHBondContact O-CA 3.28Å |
| 16 | F | 95.4 | Very high | 91.4 | Very high | 88 Ų | 88 | 41 Ų | 41 | 39% | 0.386 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62 | -47.1 | 171.1 | 175.8 | -100.2 | 0 | 0 | 0 | 111.8 | V12 I13 A18 A19 C20 F92 F96 | V12-F16 PolarHBondContact O-N 3.27Å; I13-F16 WeakPolarHBondContact O-CB 3.41Å; I13-F16 PolarHBondContact O-N 3.43Å; F16-A18 PolarHBondContact O-N 3.26Å; F16-A19 PolarHBondContact O-N 2.96Å; F16-C20 PolarHBondContact O-N 3.01Å; F16-C20 PolarHBondContact O-SG 3.12Å; F16-C20 VanDerWaalsContact O-SG 3.41Å; F16-F92 HydrophobicContact CB-CD2 3.76Å; F16-F92 HydrophobicContact CB-CE2 3.78Å; F16-F92 HydrophobicContact CB-CG 4.45Å; F16-F92 HydrophobicContact CB-CZ 4.46Å; F16-F92 HydrophobicContact CD2-CB 4.42Å; F16-F92 AromaticContact CD2-CD1 3.76Å; F16-F92 HydrophobicContact CD2-CD1 3.76Å; F16-F92 AromaticContact CD2-CD2 3.88Å; F16-F92 HydrophobicContact CD2-CD2 3.88Å; F16-F92 AromaticContact CD2-CE1 3.89Å; F16-F92 HydrophobicContact CD2-CE1 3.89Å; F16-F92 HydrophobicContact CD2-CE2 4.02Å; F16-F92 AromaticContact CD2-CG 3.77Å; F16-F92 HydrophobicContact CD2-CG 3.77Å; F16-F92 HydrophobicContact CD2-CZ 4.02Å; F16-F92 HydrophobicContact CE2-CD1 4.31Å; F16-F92 HydrophobicContact CE2-CE1 4.45Å; F16-F92 HydrophobicContact CG-CD2 4.34Å; F16-F92 HydrophobicContact CG-CE2 4.38Å; F16-F96 HydrophobicContact CD2-CZ 4.45Å; F16-F96 AromaticContact CE2-CZ 3.77Å; F16-F96 HydrophobicContact CE2-CZ 3.77Å; F16-F96 HydrophobicContact CZ-CZ 4.36Å |
| 17 | C | 94.4 | Very high | 92 | Very high | 29 Ų | 29 | 37.2 Ų | 37.2 | 20% | 0.196 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.9 | -34.7 | 175.1 | -72.9 | 0 | 0 | 0 | 0 | 112.3 | I13 S14 C20 T21 M64 | I13-C17 PolarHBondContact O-N 2.92Å; S14-C17 PolarHBondContact O-N 3.46Å; C17-C20 PolarHBondContact O-N 3.44Å; C17-T21 WeakPolarHBondContact O-CB 3.36Å; C17-T21 PolarHBondContact O-N 3Å; C17-T21 PolarHBondContact O-OG1 3.41Å; C17-M64 HydrophobicContact CB-CB 3.96Å; C17-M64 HydrophobicContact CB-CG 4.26Å |
| 18 | A | 94.8 | Very high | 92.4 | Very high | 3 Ų | 3 | 38.2 Ų | 38.2 | 3% | 0.025 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.9 | -48.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | S14 G15 F16 C20 T21 S22 M64 N89 | S14-A18 WeakPolarHBondContact O-CB 3.31Å; S14-A18 PolarHBondContact O-N 2.92Å; G15-A18 WeakPolarHBondContact O-CB 3.2Å; G15-A18 PolarHBondContact O-N 3.28Å; F16-A18 PolarHBondContact O-N 3.26Å; A18-C20 VanDerWaalsContact C-N 3.32Å; A18-C20 PolarHBondContact O-N 2.73Å; A18-T21 WeakPolarHBondContact O-CB 3.35Å; A18-T21 PolarHBondContact O-N 3.45Å; A18-T21 VanDerWaalsContact O-N 3.07Å; A18-S22 PolarHBondContact O-N 3.01Å; A18-S22 PolarHBondContact O-OG 3Å; A18-M64 HydrophobicContact CB-CG 3.68Å; A18-M64 HydrophobicContact CB-SD 3.38Å; A18-M64 WeakPolarHBondContact CB-SD 3.3Å; A18-N89 HydrophobicContact CB-CB 4.08Å |
| 19 | A | 95.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.6 | -41 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | G15 F16 T21 S22 L23 N89 F92 S93 F96 | G15-A19 PolarHBondContact O-N 2.86Å; F16-A19 PolarHBondContact O-N 2.96Å; A19-T21 VanDerWaalsContact C-N 3.33Å; A19-T21 PolarHBondContact O-N 3.27Å; A19-S22 PolarHBondContact O-N 3.5Å; A19-L23 WeakPolarHBondContact O-CB 3.44Å; A19-L23 PolarHBondContact O-N 3.25Å; A19-N89 WeakPolarHBondContact CA-OD1 3.26Å; A19-N89 PolarHBondContact N-OD1 3.25Å; A19-F92 HydrophobicContact CB-CB 3.49Å; A19-F92 VanDerWaalsContact CB-CB 3.49Å; A19-S93 WeakPolarHBondContact CA-OG 3.33Å; A19-S93 WeakPolarHBondContact CB-OG 3.4Å; A19-F96 HydrophobicContact CB-CD2 3.98Å; A19-F96 HydrophobicContact CB-CE2 3.79Å |
| 20 | C | 94.1 | Very high | 92.3 | Very high | 34 Ų | 34 | 42.8 Ų | 42.8 | 23% | 0.23 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.9 | -39.9 | 173.5 | -71.6 | 0 | 0 | 0 | 0 | 112.3 | F16 C17 A18 L23 Y24 | F16-C20 PolarHBondContact O-N 3.01Å; F16-C20 PolarHBondContact O-SG 3.12Å; F16-C20 VanDerWaalsContact O-SG 3.41Å; C17-C20 PolarHBondContact O-N 3.44Å; A18-C20 VanDerWaalsContact C-N 3.32Å; A18-C20 PolarHBondContact O-N 2.73Å; C20-L23 PolarHBondContact O-N 3.34Å; C20-Y24 VanDerWaalsContact O-CB 3.26Å; C20-Y24 WeakPolarHBondContact O-CB 3.37Å; C20-Y24 PolarHBondContact O-N 3.15Å |
| 21 | T | 93.4 | Very high | 92 | Very high | 16 Ų | 16 | 41.8 Ų | 41.8 | 10% | 0.098 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.4 | -43.8 | 177.8 | -55.1 | 0 | 0 | 0 | 0 | 110.8 | C17 A18 A19 Y24 G25 L60 N61 | C17-T21 WeakPolarHBondContact O-CB 3.36Å; C17-T21 PolarHBondContact O-N 3Å; C17-T21 PolarHBondContact O-OG1 3.41Å; A18-T21 WeakPolarHBondContact O-CB 3.35Å; A18-T21 PolarHBondContact O-N 3.45Å; A18-T21 VanDerWaalsContact O-N 3.07Å; A19-T21 VanDerWaalsContact C-N 3.33Å; A19-T21 PolarHBondContact O-N 3.27Å; T21-Y24 PolarHBondContact O-N 2.87Å; T21-G25 PolarHBondContact O-N 3.2Å; T21-L60 HydrophobicContact CG2-CB 4.44Å; T21-N61 HydrophobicContact CG2-CB 3.91Å |
| 22 | S | 92.7 | Very high | 91.7 | Very high | 69 Ų | 69 | 47.7 Ų | 47.7 | 48% | 0.483 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 174.8 | -65.1 | 0 | 0 | 0 | 0 | 112.1 | A18 A19 G25 K26 | A18-S22 PolarHBondContact O-N 3.01Å; A18-S22 PolarHBondContact O-OG 3Å; A19-S22 PolarHBondContact O-N 3.5Å; S22-G25 PolarHBondContact O-N 3.32Å; S22-K26 PolarHBondContact O-N 3.45Å |
| 23 | L | 92.9 | Very high | 91.3 | Very high | 30 Ų | 30 | 46 Ų | 46 | 16% | 0.157 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.8 | -50.4 | 174.7 | 173.2 | 62.3 | 0 | 0 | 0 | 111.2 | A19 C20 G25 K26 L27 F96 I100 F101 | A19-L23 WeakPolarHBondContact O-CB 3.44Å; A19-L23 PolarHBondContact O-N 3.25Å; C20-L23 PolarHBondContact O-N 3.34Å; L23-G25 VanDerWaalsContact C-N 3.3Å; L23-G25 PolarHBondContact O-N 3.09Å; L23-K26 PolarHBondContact O-N 2.98Å; L23-L27 HydrophobicContact CD1-CD1 3.9Å; L23-L27 HydrophobicContact CD1-CG 4.03Å; L23-L27 HydrophobicContact CG-CD1 3.98Å; L23-L27 HydrophobicContact CG-CG 4.48Å; L23-L27 WeakPolarHBondContact O-CG 3.4Å; L23-L27 PolarHBondContact O-N 3.11Å; L23-F96 HydrophobicContact CB-CD2 4.25Å; L23-F96 HydrophobicContact CD1-CB 4.41Å; L23-F96 HydrophobicContact CD2-CB 4.23Å; L23-F96 HydrophobicContact CD2-CD1 4.26Å; L23-F96 HydrophobicContact CD2-CD2 4.04Å; L23-F96 HydrophobicContact CD2-CE2 4.46Å; L23-F96 HydrophobicContact CD2-CG 3.94Å; L23-I100 HydrophobicContact CD1-CD1 3.55Å; L23-I100 HydrophobicContact CD1-CG2 4.49Å; L23-I100 HydrophobicContact CD2-CD1 3.44Å; L23-I100 VanDerWaalsContact CD2-CD1 3.44Å; L23-I100 HydrophobicContact CG-CD1 4.11Å; L23-F101 HydrophobicContact CD1-CE2 3.56Å; L23-F101 HydrophobicContact CD1-CZ 3.95Å |
| 24 | Y | 92.2 | Very high | 90.9 | Very high | 52 Ų | 52 | 44.1 Ų | 44.1 | 20% | 0.204 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.2 | -43.6 | 178.9 | -170.3 | -88.1 | 0 | 0 | 0 | 111.1 | C20 T21 K26 L27 L28 I33 S53 A57 L60 | C20-Y24 VanDerWaalsContact O-CB 3.26Å; C20-Y24 WeakPolarHBondContact O-CB 3.37Å; C20-Y24 PolarHBondContact O-N 3.15Å; T21-Y24 PolarHBondContact O-N 2.87Å; Y24-K26 PolarHBondContact O-N 3.25Å; Y24-L27 PolarHBondContact O-N 2.96Å; Y24-L28 HydrophobicContact CD1-CD1 4.37Å; Y24-L28 HydrophobicContact CE1-CD1 3.7Å; Y24-L28 WeakPolarHBondContact O-CB 3.13Å; Y24-L28 PolarHBondContact O-N 2.96Å; Y24-I33 HydrophobicContact CD1-CD1 4.36Å; Y24-I33 HydrophobicContact CD2-CD1 3.42Å; Y24-I33 VanDerWaalsContact CD2-CD1 3.42Å; Y24-I33 HydrophobicContact CE1-CD1 4.23Å; Y24-I33 HydrophobicContact CE2-CD1 3.28Å; Y24-I33 HydrophobicContact CG-CD1 3.98Å; Y24-S53 WeakPolarHBondContact CE1-O 3.41Å; Y24-S53 PolarHBondContact OH-O 2.71Å; Y24-A57 HydrophobicContact CD1-CB 3.77Å; Y24-A57 HydrophobicContact CE1-CB 3.87Å; Y24-L60 HydrophobicContact CD1-CD1 4.44Å; Y24-L60 HydrophobicContact CD2-CD1 4.14Å; Y24-L60 HydrophobicContact CG-CD1 3.96Å |
| 25 | G | 90 | Very high | 90.6 | Very high | 32 Ų | 32 | 48.7 Ų | 48.7 | 33% | 0.33 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.4 | -43.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | T21 S22 L23 L28 S29 | T21-G25 PolarHBondContact O-N 3.2Å; S22-G25 PolarHBondContact O-N 3.32Å; L23-G25 VanDerWaalsContact C-N 3.3Å; L23-G25 PolarHBondContact O-N 3.09Å; G25-L28 PolarHBondContact O-N 3.38Å; G25-S29 WeakPolarHBondContact O-CB 3.26Å; G25-S29 PolarHBondContact O-N 2.92Å |
| 26 | K | 90.1 | Very high | 90.3 | Very high | 75 Ų | 75 | 54.7 Ų | 54.7 | 33% | 0.326 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.5 | -47.4 | 177.4 | -168.1 | 169.8 | 176.6 | -175.4 | 0 | 111.6 | S22 L23 Y24 L28 S29 E30 F101 E103 | S22-K26 PolarHBondContact O-N 3.45Å; L23-K26 PolarHBondContact O-N 2.98Å; Y24-K26 PolarHBondContact O-N 3.25Å; K26-L28 VanDerWaalsContact C-N 3.27Å; K26-L28 PolarHBondContact O-N 3.49Å; K26-S29 PolarHBondContact O-N 3.32Å; K26-E30 PolarHBondContact O-N 3.34Å; K26-F101 HydrophobicContact CB-CZ 4.16Å; K26-F101 HydrophobicContact CD-CD2 4.42Å; K26-F101 HydrophobicContact CD-CE1 4.02Å; K26-F101 HydrophobicContact CD-CE2 3.8Å; K26-F101 HydrophobicContact CD-CZ 3.58Å; K26-F101 HydrophobicContact CG-CE1 4.13Å; K26-F101 HydrophobicContact CG-CE2 4.43Å; K26-F101 HydrophobicContact CG-CZ 3.75Å; K26-E103 IonicContact NZ-OE1 2.66Å; K26-E103 PolarHBondContact NZ-OE1 3.18Å |
| 27 | L | 90.4 | Very high | 89.8 | Confident | 28 Ų | 28 | 52.5 Ų | 52.5 | 15% | 0.147 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.3 | -31.5 | 177.2 | -67 | 174.2 | 0 | 0 | 0 | 113.1 | L23 Y24 G31 Y32 I33 I100 F101 | L23-L27 HydrophobicContact CD1-CD1 3.9Å; L23-L27 HydrophobicContact CD1-CG 4.03Å; L23-L27 HydrophobicContact CG-CD1 3.98Å; L23-L27 HydrophobicContact CG-CG 4.48Å; L23-L27 WeakPolarHBondContact O-CG 3.4Å; L23-L27 PolarHBondContact O-N 3.11Å; Y24-L27 PolarHBondContact O-N 2.96Å; L27-G31 PolarHBondContact O-N 3.16Å; L27-Y32 HydrophobicContact CD2-CD1 4.21Å; L27-Y32 PolarHBondContact O-N 3.13Å; L27-I33 HydrophobicContact CB-CD1 3.94Å; L27-I33 HydrophobicContact CB-CG1 3.81Å; L27-I33 PolarHBondContact O-N 2.92Å; L27-I100 HydrophobicContact CD2-CG2 4.4Å; L27-F101 HydrophobicContact CD2-CE1 4.12Å; L27-F101 HydrophobicContact CD2-CZ 3.85Å; L27-F101 HydrophobicContact CG-CZ 4.26Å |
| 28 | L | 89.6 | Confident | 89.5 | Confident | 21 Ų | 21 | 53.5 Ų | 53.5 | 11% | 0.11 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -72.9 | -40.6 | 175.1 | -170.9 | 146.8 | 0 | 0 | 0 | 111.2 | Y24 G25 K26 E30 G31 S53 Y54 | Y24-L28 HydrophobicContact CD1-CD1 4.37Å; Y24-L28 HydrophobicContact CE1-CD1 3.7Å; Y24-L28 WeakPolarHBondContact O-CB 3.13Å; Y24-L28 PolarHBondContact O-N 2.96Å; G25-L28 PolarHBondContact O-N 3.38Å; K26-L28 VanDerWaalsContact C-N 3.27Å; K26-L28 PolarHBondContact O-N 3.49Å; L28-E30 VanDerWaalsContact C-N 3.35Å; L28-G31 WeakPolarHBondContact O-CA 3.44Å; L28-G31 PolarHBondContact O-N 3.39Å; L28-S53 VanDerWaalsContact CD1-C 3.5Å; L28-S53 VanDerWaalsContact CD1-CB 3.44Å; L28-Y54 HydrophobicContact CD2-CD1 3.87Å; L28-Y54 HydrophobicContact CD2-CD2 4.45Å; L28-Y54 HydrophobicContact CD2-CE1 3.35Å; L28-Y54 HydrophobicContact CD2-CE2 4.01Å; L28-Y54 HydrophobicContact CD2-CG 4.39Å; L28-Y54 VanDerWaalsContact CD2-CZ 3.42Å |
| 29 | S | 87 | Confident | 89.2 | Confident | 103 Ų | 103 | 57.2 Ų | 57.2 | 72% | 0.72 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -65.3 | -36 | 176.4 | -170.6 | 0 | 0 | 0 | 0 | 112.9 | G25 K26 G31 | G25-S29 WeakPolarHBondContact O-CB 3.26Å; G25-S29 PolarHBondContact O-N 2.92Å; K26-S29 PolarHBondContact O-N 3.32Å; S29-G31 PolarHBondContact O-N 2.95Å |
| 30 | E | 86.9 | Confident | 88.9 | Confident | 124 Ų | 124 | 61.3 Ų | 61.3 | 58% | 0.579 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -2 | 173.1 | -69.5 | -176.1 | -171.3 | 0 | 0 | 112.7 | K26 L28 Y32 | K26-E30 PolarHBondContact O-N 3.34Å; L28-E30 VanDerWaalsContact C-N 3.35Å; E30-Y32 PolarHBondContact O-N 3.34Å |
| 31 | G | 83.5 | Confident | 88.5 | Confident | 21 Ų | 21 | 64.9 Ų | 64.9 | 22% | 0.216 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | -6.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | L27 L28 S29 I33 L34 T35 | L27-G31 PolarHBondContact O-N 3.16Å; L28-G31 WeakPolarHBondContact O-CA 3.44Å; L28-G31 PolarHBondContact O-N 3.39Å; S29-G31 PolarHBondContact O-N 2.95Å; G31-I33 VanDerWaalsContact C-N 3.31Å; G31-I33 PolarHBondContact O-N 3.3Å; G31-L34 WeakPolarHBondContact O-CA 3.03Å; G31-L34 WeakPolarHBondContact O-CB 3.48Å; G31-L34 PolarHBondContact O-N 3.38Å; G31-T35 PolarHBondContact O-N 3.47Å; G31-T35 PolarHBondContact O-OG1 3.31Å |
| 32 | Y | 86.7 | Confident | 88 | Confident | 124 Ų | 124 | 68.9 Ų | 68.9 | 49% | 0.486 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -51.1 | -46.3 | -176 | 179.1 | -97.7 | 0 | 0 | 0 | 113.2 | L27 E30 L34 T35 K36 | L27-Y32 HydrophobicContact CD2-CD1 4.21Å; L27-Y32 PolarHBondContact O-N 3.13Å; E30-Y32 PolarHBondContact O-N 3.34Å; Y32-L34 VanDerWaalsContact C-N 3.34Å; Y32-T35 PolarHBondContact O-N 2.95Å; Y32-K36 HydrophobicContact CE1-CG 4.12Å; Y32-K36 HydrophobicContact CE2-CG 4.42Å; Y32-K36 WeakPolarHBondContact O-CG 3.29Å; Y32-K36 PolarHBondContact O-N 3.38Å; Y32-K36 VanDerWaalsContact OH-CE 3.28Å; Y32-K36 WeakPolarHBondContact OH-CE 3.38Å |
| 33 | I | 84.7 | Confident | 87.7 | Confident | 24 Ų | 24 | 73.4 Ų | 73.4 | 12% | 0.123 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64.5 | -42 | 178.5 | -61.7 | -165.8 | 0 | 0 | 0 | 110.9 | Y24 L27 G31 K36 L37 | Y24-I33 HydrophobicContact CD1-CD1 4.36Å; Y24-I33 HydrophobicContact CD2-CD1 3.42Å; Y24-I33 VanDerWaalsContact CD2-CD1 3.42Å; Y24-I33 HydrophobicContact CE1-CD1 4.23Å; Y24-I33 HydrophobicContact CE2-CD1 3.28Å; Y24-I33 HydrophobicContact CG-CD1 3.98Å; L27-I33 HydrophobicContact CB-CD1 3.94Å; L27-I33 HydrophobicContact CB-CG1 3.81Å; L27-I33 PolarHBondContact O-N 2.92Å; G31-I33 VanDerWaalsContact C-N 3.31Å; G31-I33 PolarHBondContact O-N 3.3Å; I33-K36 PolarHBondContact O-N 3.37Å; I33-L37 HydrophobicContact CG2-CD1 4.06Å; I33-L37 WeakPolarHBondContact O-CB 3.38Å; I33-L37 PolarHBondContact O-N 3.21Å |
| 34 | L | 85.3 | Confident | 87.4 | Confident | 53 Ų | 53 | 73.6 Ų | 73.6 | 28% | 0.277 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.2 | -44 | 179.9 | -174.8 | 64.6 | 0 | 0 | 0 | 110.9 | G31 Y32 K36 L37 L38 L49 V50 | G31-L34 WeakPolarHBondContact O-CA 3.03Å; G31-L34 WeakPolarHBondContact O-CB 3.48Å; G31-L34 PolarHBondContact O-N 3.38Å; Y32-L34 VanDerWaalsContact C-N 3.34Å; L34-K36 VanDerWaalsContact C-N 3.33Å; L34-K36 PolarHBondContact O-N 2.94Å; L34-L37 PolarHBondContact O-N 2.99Å; L34-L38 HydrophobicContact CD1-CD1 3.67Å; L34-L38 HydrophobicContact CG-CD1 3.76Å; L34-L38 WeakPolarHBondContact O-CD1 3.31Å; L34-L38 PolarHBondContact O-N 3.42Å; L34-L49 HydrophobicContact CD1-CB 3.96Å; L34-V50 HydrophobicContact CD1-CB 4.49Å; L34-V50 HydrophobicContact CD1-CG2 3.58Å; L34-V50 HydrophobicContact CD2-CG2 3.68Å; L34-V50 HydrophobicContact CG-CG2 4.29Å |
| 35 | T | 87.4 | Confident | 87.2 | Confident | 96 Ų | 96 | 76.1 Ų | 76.1 | 59% | 0.589 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -62.6 | -41 | 177.2 | -16.8 | 0 | 0 | 0 | 0 | 111.5 | G31 Y32 A39 | G31-T35 PolarHBondContact O-N 3.47Å; G31-T35 PolarHBondContact O-OG1 3.31Å; Y32-T35 PolarHBondContact O-N 2.95Å; T35-A39 WeakPolarHBondContact O-CB 3.3Å; T35-A39 PolarHBondContact O-N 2.94Å |
| 36 | K | 88.3 | Confident | 87.1 | Confident | 126 Ų | 126 | 81.2 Ų | 81.2 | 55% | 0.548 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.5 | -40.6 | 175.6 | -75.4 | -70 | -173.8 | -178.6 | 0 | 112.3 | Y32 I33 L34 A39 C40 | Y32-K36 HydrophobicContact CE1-CG 4.12Å; Y32-K36 HydrophobicContact CE2-CG 4.42Å; Y32-K36 WeakPolarHBondContact O-CG 3.29Å; Y32-K36 PolarHBondContact O-N 3.38Å; Y32-K36 VanDerWaalsContact OH-CE 3.28Å; Y32-K36 WeakPolarHBondContact OH-CE 3.38Å; I33-K36 PolarHBondContact O-N 3.37Å; L34-K36 VanDerWaalsContact C-N 3.33Å; L34-K36 PolarHBondContact O-N 2.94Å; K36-A39 PolarHBondContact O-N 2.87Å; K36-C40 PolarHBondContact O-N 3.37Å; K36-C40 VanDerWaalsContact O-N 3.07Å |
| 37 | L | 85.8 | Confident | 87 | Confident | 42 Ų | 42 | 83.6 Ų | 83.6 | 22% | 0.22 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -65 | -45.2 | 175.7 | -93.8 | 163 | 0 | 0 | 0 | 112 | I33 L34 A39 C40 F41 L49 S53 | I33-L37 HydrophobicContact CG2-CD1 4.06Å; I33-L37 WeakPolarHBondContact O-CB 3.38Å; I33-L37 PolarHBondContact O-N 3.21Å; L34-L37 PolarHBondContact O-N 2.99Å; L37-A39 VanDerWaalsContact C-N 3.27Å; L37-A39 PolarHBondContact O-N 3.5Å; L37-C40 PolarHBondContact O-N 3.31Å; L37-F41 HydrophobicContact CD2-CD2 3.91Å; L37-F41 HydrophobicContact CD2-CE2 3.97Å; L37-F41 PolarHBondContact O-N 2.92Å; L37-L49 HydrophobicContact CB-CD1 4.33Å; L37-L49 HydrophobicContact CB-CD2 4.25Å; L37-L49 HydrophobicContact CD2-CD2 4.06Å; L37-S53 WeakPolarHBondContact CD1-OG 3.23Å |
| 38 | L | 87.8 | Confident | 87 | Confident | 51 Ų | 51 | 88.8 Ų | 88.8 | 27% | 0.267 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61 | -37.3 | 174.5 | -94.5 | 88.5 | 0 | 0 | 0 | 111.9 | L34 C40 F41 P42 K46 L49 | L34-L38 HydrophobicContact CD1-CD1 3.67Å; L34-L38 HydrophobicContact CG-CD1 3.76Å; L34-L38 WeakPolarHBondContact O-CD1 3.31Å; L34-L38 PolarHBondContact O-N 3.42Å; L38-C40 VanDerWaalsContact C-N 3.32Å; L38-C40 PolarHBondContact O-N 2.93Å; L38-F41 CarbonylContact O-C 3.42Å; L38-F41 PolarHBondContact O-N 3.43Å; L38-P42 VanDerWaalsContact O-CA 3.3Å; L38-P42 WeakPolarHBondContact O-CA 3.21Å; L38-P42 VanDerWaalsContact O-N 3.16Å; L38-K46 HydrophobicContact CD2-CD 4.26Å; L38-K46 HydrophobicContact CD2-CG 4.12Å; L38-L49 HydrophobicContact CD1-CD1 3.65Å; L38-L49 HydrophobicContact CG-CD1 3.91Å |
| 39 | A | 89.2 | Confident | 86.9 | Confident | 81 Ų | 81 | 88.2 Ų | 88.2 | 67% | 0.669 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -66.6 | -34 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T35 K36 L37 | T35-A39 WeakPolarHBondContact O-CB 3.3Å; T35-A39 PolarHBondContact O-N 2.94Å; K36-A39 PolarHBondContact O-N 2.87Å; L37-A39 VanDerWaalsContact C-N 3.27Å; L37-A39 PolarHBondContact O-N 3.5Å |
| 40 | C | 88.5 | Confident | 87 | Confident | 86 Ų | 86 | 85.7 Ų | 85.7 | 58% | 0.581 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -78.7 | -30.8 | 176.5 | -166.9 | 0 | 0 | 0 | 0 | 112.6 | K36 L37 L38 | K36-C40 PolarHBondContact O-N 3.37Å; K36-C40 VanDerWaalsContact O-N 3.07Å; L37-C40 PolarHBondContact O-N 3.31Å; L38-C40 VanDerWaalsContact C-N 3.32Å; L38-C40 PolarHBondContact O-N 2.93Å |
| 41 | F | 87.3 | Confident | 87.1 | Confident | 108 Ų | 108 | 87.2 Ų | 87.2 | 47% | 0.474 | 46% | 0.463 | S | S | . | . | trans | -131.9 | 74.2 | -176.7 | -55.8 | -74.8 | 0 | 0 | 0 | 110.3 | L37 L38 D43 A44 | L37-F41 HydrophobicContact CD2-CD2 3.91Å; L37-F41 HydrophobicContact CD2-CE2 3.97Å; L37-F41 PolarHBondContact O-N 2.92Å; L38-F41 CarbonylContact O-C 3.42Å; L38-F41 PolarHBondContact O-N 3.43Å; F41-D43 VanDerWaalsContact C-N 3.27Å; F41-D43 PolarHBondContact O-N 2.92Å; F41-A44 HydrophobicContact CB-CB 3.71Å; F41-A44 WeakPolarHBondContact O-CB 3.49Å; F41-A44 PolarHBondContact O-N 3.34Å | ||
| 42 | P | 82 | Confident | 87.4 | Confident | 100 Ų | 100 | 88.9 Ų | 88.9 | 65% | 0.649 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -31.8 | -175.2 | 23.1 | -32.4 | 0 | 0 | 0 | 113.1 | L38 A44 | L38-P42 VanDerWaalsContact O-CA 3.3Å; L38-P42 WeakPolarHBondContact O-CA 3.21Å; L38-P42 VanDerWaalsContact O-N 3.16Å; P42-A44 VanDerWaalsContact C-N 3.34Å |
| 43 | D | 87.2 | Confident | 87.5 | Confident | 164 Ų | 164 | 83.1 Ų | 83.1 | 88% | 0.877 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -3.7 | -179.5 | -58.3 | -54.6 | 0 | 0 | 0 | 113.6 | F41 | F41-D43 VanDerWaalsContact C-N 3.27Å; F41-D43 PolarHBondContact O-N 2.92Å |
| 44 | A | 84.9 | Confident | 87.8 | Confident | 35 Ų | 35 | 88.3 Ų | 88.3 | 29% | 0.289 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -75.4 | 146.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F41 P42 K46 L49 | F41-A44 HydrophobicContact CB-CB 3.71Å; F41-A44 WeakPolarHBondContact O-CB 3.49Å; F41-A44 PolarHBondContact O-N 3.34Å; P42-A44 VanDerWaalsContact C-N 3.34Å; A44-K46 PolarHBondContact O-N 3.49Å; A44-L49 HydrophobicContact CB-CD1 3.98Å; A44-L49 HydrophobicContact CB-CD2 4.18Å; A44-L49 HydrophobicContact CB-CG 4.03Å |
| 45 | N | 89.7 | Confident | 88 | Confident | 105 Ų | 105 | 87 Ų | 87 | 56% | 0.561 | 47% | 0.469 | S | S | * | . | trans | -64.6 | 121.1 | 175.9 | -174.8 | -15.6 | 0 | 0 | 0 | 110.3 | N47 F48 L49 | N45-N47 VanDerWaalsContact C-N 3.26Å; N45-N47 PolarHBondContact O-N 2.86Å; N45-N47 PolarHBondContact OD1-N 3.48Å; N45-N47 VanDerWaalsContact OD1-N 3.07Å; N45-F48 HydrophobicContact CB-CB 4.07Å; N45-F48 WeakPolarHBondContact O-CA 3.27Å; N45-F48 WeakPolarHBondContact O-CB 3.31Å; N45-F48 PolarHBondContact O-N 3.36Å; N45-L49 PolarHBondContact O-N 2.97Å | ||
| 46 | K | 86.7 | Confident | 88.1 | Confident | 138 Ų | 138 | 83.7 Ų | 83.7 | 60% | 0.6 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -53.3 | -42.4 | 179.7 | -62.5 | -174.6 | -178.4 | 177.7 | 0 | 112.4 | L38 A44 F48 L49 V50 | L38-K46 HydrophobicContact CD2-CD 4.26Å; L38-K46 HydrophobicContact CD2-CG 4.12Å; A44-K46 PolarHBondContact O-N 3.49Å; K46-F48 VanDerWaalsContact C-N 3.27Å; K46-F48 PolarHBondContact O-N 2.95Å; K46-L49 PolarHBondContact O-N 3.28Å; K46-V50 VanDerWaalsContact O-CG2 3.3Å; K46-V50 WeakPolarHBondContact O-CG2 3.12Å; K46-V50 PolarHBondContact O-N 3.48Å |
| 47 | N | 88.8 | Confident | 88.2 | Confident | 126 Ų | 126 | 78.6 Ų | 78.6 | 67% | 0.674 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -63.5 | -37.1 | 179.5 | -69 | -19.7 | 0 | 0 | 0 | 111.5 | N45 F51 | N45-N47 VanDerWaalsContact C-N 3.26Å; N45-N47 PolarHBondContact O-N 2.86Å; N45-N47 PolarHBondContact OD1-N 3.48Å; N45-N47 VanDerWaalsContact OD1-N 3.07Å; N47-F51 VanDerWaalsContact O-CB 3.3Å; N47-F51 WeakPolarHBondContact O-CB 3.49Å; N47-F51 PolarHBondContact O-N 2.86Å |
| 48 | F | 89.7 | Confident | 88.6 | Confident | 136 Ų | 136 | 81.9 Ų | 81.9 | 60% | 0.596 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -68.3 | -42.9 | 176.7 | -177.5 | -99.3 | 0 | 0 | 0 | 111.6 | N45 K46 F51 S52 | N45-F48 HydrophobicContact CB-CB 4.07Å; N45-F48 WeakPolarHBondContact O-CA 3.27Å; N45-F48 WeakPolarHBondContact O-CB 3.31Å; N45-F48 PolarHBondContact O-N 3.36Å; K46-F48 VanDerWaalsContact C-N 3.27Å; K46-F48 PolarHBondContact O-N 2.95Å; F48-F51 PolarHBondContact O-N 2.8Å; F48-S52 VanDerWaalsContact O-CB 3.25Å; F48-S52 WeakPolarHBondContact O-CB 3.4Å; F48-S52 PolarHBondContact O-N 3.19Å |
| 49 | L | 88.7 | Confident | 88.8 | Confident | 9 Ų | 9 | 83.9 Ų | 83.9 | 5% | 0.047 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -63 | -42.5 | 176.3 | -69.6 | 179.7 | 0 | 0 | 0 | 112.2 | L34 L37 L38 A44 N45 K46 S52 S53 | L34-L49 HydrophobicContact CD1-CB 3.96Å; L37-L49 HydrophobicContact CB-CD1 4.33Å; L37-L49 HydrophobicContact CB-CD2 4.25Å; L37-L49 HydrophobicContact CD2-CD2 4.06Å; L38-L49 HydrophobicContact CD1-CD1 3.65Å; L38-L49 HydrophobicContact CG-CD1 3.91Å; A44-L49 HydrophobicContact CB-CD1 3.98Å; A44-L49 HydrophobicContact CB-CD2 4.18Å; A44-L49 HydrophobicContact CB-CG 4.03Å; N45-L49 PolarHBondContact O-N 2.97Å; K46-L49 PolarHBondContact O-N 3.28Å; L49-S52 PolarHBondContact O-N 3.4Å; L49-S53 WeakPolarHBondContact O-CB 3.39Å; L49-S53 PolarHBondContact O-N 2.91Å; L49-S53 PolarHBondContact O-OG 3.29Å |
| 50 | V | 87.9 | Confident | 89 | Confident | 50 Ų | 50 | 83.1 Ų | 83.1 | 30% | 0.303 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60 | -51.3 | 174.4 | 172.7 | 0 | 0 | 0 | 0 | 110.1 | L34 K46 S52 S53 Y54 | L34-V50 HydrophobicContact CD1-CB 4.49Å; L34-V50 HydrophobicContact CD1-CG2 3.58Å; L34-V50 HydrophobicContact CD2-CG2 3.68Å; L34-V50 HydrophobicContact CG-CG2 4.29Å; K46-V50 VanDerWaalsContact O-CG2 3.3Å; K46-V50 WeakPolarHBondContact O-CG2 3.12Å; K46-V50 PolarHBondContact O-N 3.48Å; V50-S52 VanDerWaalsContact C-N 3.34Å; V50-S52 PolarHBondContact O-N 3.38Å; V50-S53 PolarHBondContact O-N 3.49Å; V50-S53 VanDerWaalsContact O-N 3.15Å; V50-Y54 HydrophobicContact CG1-CD2 3.71Å; V50-Y54 HydrophobicContact CG1-CE2 3.57Å; V50-Y54 VanDerWaalsContact O-CD2 3.26Å; V50-Y54 WeakPolarHBondContact O-CD2 3.32Å; V50-Y54 PolarHBondContact O-N 2.88Å |
| 51 | F | 89.9 | Confident | 89.2 | Confident | 156 Ų | 156 | 83 Ų | 83 | 68% | 0.684 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -59.9 | -43.9 | 179.9 | -172.2 | -95.2 | 0 | 0 | 0 | 112.2 | N47 F48 S53 Y54 G55 | N47-F51 VanDerWaalsContact O-CB 3.3Å; N47-F51 WeakPolarHBondContact O-CB 3.49Å; N47-F51 PolarHBondContact O-N 2.86Å; F48-F51 PolarHBondContact O-N 2.8Å; F51-S53 VanDerWaalsContact C-N 3.33Å; F51-S53 PolarHBondContact O-N 2.94Å; F51-Y54 PolarHBondContact O-N 3.34Å; F51-G55 PolarHBondContact O-N 3.15Å |
| 52 | S | 89.1 | Confident | 89.5 | Confident | 57 Ų | 57 | 81.4 Ų | 81.4 | 40% | 0.399 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -59.2 | -42.8 | 175.1 | 165.2 | 0 | 0 | 0 | 0 | 112.1 | F48 L49 V50 G55 G56 | F48-S52 VanDerWaalsContact O-CB 3.25Å; F48-S52 WeakPolarHBondContact O-CB 3.4Å; F48-S52 PolarHBondContact O-N 3.19Å; L49-S52 PolarHBondContact O-N 3.4Å; V50-S52 VanDerWaalsContact C-N 3.34Å; V50-S52 PolarHBondContact O-N 3.38Å; S52-G55 WeakPolarHBondContact O-CA 3.33Å; S52-G55 PolarHBondContact O-N 3.22Å; S52-G56 PolarHBondContact O-N 3.28Å |
| 53 | S | 89.6 | Confident | 90.1 | Very high | 3 Ų | 3 | 80.1 Ų | 80.1 | 2% | 0.021 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -65.7 | -45.7 | -179.5 | -54.1 | 0 | 0 | 0 | 0 | 111 | Y24 L28 L37 L49 V50 F51 G55 G56 A57 | Y24-S53 WeakPolarHBondContact CE1-O 3.41Å; Y24-S53 PolarHBondContact OH-O 2.71Å; L28-S53 VanDerWaalsContact CD1-C 3.5Å; L28-S53 VanDerWaalsContact CD1-CB 3.44Å; L37-S53 WeakPolarHBondContact CD1-OG 3.23Å; L49-S53 WeakPolarHBondContact O-CB 3.39Å; L49-S53 PolarHBondContact O-N 2.91Å; L49-S53 PolarHBondContact O-OG 3.29Å; V50-S53 PolarHBondContact O-N 3.49Å; V50-S53 VanDerWaalsContact O-N 3.15Å; F51-S53 VanDerWaalsContact C-N 3.33Å; F51-S53 PolarHBondContact O-N 2.94Å; S53-G55 VanDerWaalsContact C-N 3.3Å; S53-G55 PolarHBondContact O-N 3.32Å; S53-G56 PolarHBondContact O-N 2.9Å; S53-A57 PolarHBondContact O-N 3.45Å; S53-A57 VanDerWaalsContact O-N 3.1Å |
| 54 | Y | 89.9 | Confident | 90.3 | Very high | 132 Ų | 132 | 73.8 Ų | 73.8 | 52% | 0.518 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.9 | -37.3 | 172.6 | -77.3 | -71 | 0 | 0 | 0 | 112.2 | L28 V50 F51 G56 A57 I58 | L28-Y54 HydrophobicContact CD2-CD1 3.87Å; L28-Y54 HydrophobicContact CD2-CD2 4.45Å; L28-Y54 HydrophobicContact CD2-CE1 3.35Å; L28-Y54 HydrophobicContact CD2-CE2 4.01Å; L28-Y54 HydrophobicContact CD2-CG 4.39Å; L28-Y54 VanDerWaalsContact CD2-CZ 3.42Å; V50-Y54 HydrophobicContact CG1-CD2 3.71Å; V50-Y54 HydrophobicContact CG1-CE2 3.57Å; V50-Y54 VanDerWaalsContact O-CD2 3.26Å; V50-Y54 WeakPolarHBondContact O-CD2 3.32Å; V50-Y54 PolarHBondContact O-N 2.88Å; F51-Y54 PolarHBondContact O-N 3.34Å; Y54-G56 VanDerWaalsContact C-N 3.33Å; Y54-G56 PolarHBondContact O-N 3.12Å; Y54-A57 WeakPolarHBondContact O-CB 3.5Å; Y54-A57 PolarHBondContact O-N 3.41Å; Y54-I58 WeakPolarHBondContact O-CG1 3.45Å; Y54-I58 PolarHBondContact O-N 2.62Å |
| 55 | G | 90.6 | Very high | 90.7 | Very high | 27 Ų | 27 | 79 Ų | 79 | 28% | 0.278 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -57.7 | -44.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | F51 S52 S53 A57 I58 V59 | F51-G55 PolarHBondContact O-N 3.15Å; S52-G55 WeakPolarHBondContact O-CA 3.33Å; S52-G55 PolarHBondContact O-N 3.22Å; S53-G55 VanDerWaalsContact C-N 3.3Å; S53-G55 PolarHBondContact O-N 3.32Å; G55-A57 PolarHBondContact O-N 2.87Å; G55-I58 PolarHBondContact O-N 2.87Å; G55-V59 WeakPolarHBondContact O-CG2 3.41Å; G55-V59 PolarHBondContact O-N 3Å |
| 56 | G | 89.5 | Confident | 91 | Very high | 25 Ų | 25 | 78.2 Ų | 78.2 | 26% | 0.258 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.8 | -43.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S52 S53 Y54 I58 V59 L60 | S52-G56 PolarHBondContact O-N 3.28Å; S53-G56 PolarHBondContact O-N 2.9Å; Y54-G56 VanDerWaalsContact C-N 3.33Å; Y54-G56 PolarHBondContact O-N 3.12Å; G56-I58 VanDerWaalsContact C-N 3.34Å; G56-I58 PolarHBondContact O-N 3.29Å; G56-V59 PolarHBondContact O-N 2.91Å; G56-L60 WeakPolarHBondContact O-CG 3.46Å; G56-L60 PolarHBondContact O-N 3.07Å |
| 57 | A | 90.1 | Very high | 91.2 | Very high | 20 Ų | 20 | 72.5 Ų | 72.5 | 17% | 0.165 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61.2 | -42 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y24 S53 Y54 G55 L60 N61 | Y24-A57 HydrophobicContact CD1-CB 3.77Å; Y24-A57 HydrophobicContact CE1-CB 3.87Å; S53-A57 PolarHBondContact O-N 3.45Å; S53-A57 VanDerWaalsContact O-N 3.1Å; Y54-A57 WeakPolarHBondContact O-CB 3.5Å; Y54-A57 PolarHBondContact O-N 3.41Å; G55-A57 PolarHBondContact O-N 2.87Å; A57-L60 PolarHBondContact O-N 2.92Å; A57-N61 WeakPolarHBondContact O-CB 3.3Å; A57-N61 PolarHBondContact O-N 3.36Å |
| 58 | I | 92.6 | Very high | 91.4 | Very high | 111 Ų | 111 | 67.7 Ų | 67.7 | 57% | 0.569 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -63 | -46.3 | 176.9 | -67.3 | 166 | 0 | 0 | 0 | 110.5 | Y54 G55 G56 L60 N61 V62 | Y54-I58 WeakPolarHBondContact O-CG1 3.45Å; Y54-I58 PolarHBondContact O-N 2.62Å; G55-I58 PolarHBondContact O-N 2.87Å; G56-I58 VanDerWaalsContact C-N 3.34Å; G56-I58 PolarHBondContact O-N 3.29Å; I58-L60 PolarHBondContact O-N 3.22Å; I58-N61 WeakPolarHBondContact O-CB 3.4Å; I58-N61 PolarHBondContact O-N 3.31Å; I58-V62 HydrophobicContact CG2-CG2 4.34Å; I58-V62 WeakPolarHBondContact O-CG2 3.41Å; I58-V62 PolarHBondContact O-N 2.99Å |
| 59 | V | 93.5 | Very high | 91.6 | Very high | 93 Ų | 93 | 64 Ų | 64 | 56% | 0.564 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -59.9 | -46.2 | 179.1 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | G55 G56 N61 V62 V63 | G55-V59 WeakPolarHBondContact O-CG2 3.41Å; G55-V59 PolarHBondContact O-N 3Å; G56-V59 PolarHBondContact O-N 2.91Å; V59-N61 VanDerWaalsContact C-N 3.29Å; V59-N61 PolarHBondContact O-N 3.2Å; V59-V62 PolarHBondContact O-N 3.48Å; V59-V63 WeakPolarHBondContact O-CG2 3.39Å; V59-V63 PolarHBondContact O-N 3.42Å |
| 60 | L | 92.4 | Very high | 91.8 | Very high | 64 Ų | 64 | 66.4 Ų | 66.4 | 34% | 0.335 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.5 | -41.4 | 176.6 | -74.4 | 173.6 | 0 | 0 | 0 | 112 | T21 Y24 G56 A57 I58 V63 M64 | T21-L60 HydrophobicContact CG2-CB 4.44Å; Y24-L60 HydrophobicContact CD1-CD1 4.44Å; Y24-L60 HydrophobicContact CD2-CD1 4.14Å; Y24-L60 HydrophobicContact CG-CD1 3.96Å; G56-L60 WeakPolarHBondContact O-CG 3.46Å; G56-L60 PolarHBondContact O-N 3.07Å; A57-L60 PolarHBondContact O-N 2.92Å; I58-L60 PolarHBondContact O-N 3.22Å; L60-V63 PolarHBondContact O-N 2.96Å; L60-M64 PolarHBondContact O-N 2.81Å |
| 61 | N | 93.2 | Very high | 91.9 | Very high | 84 Ų | 84 | 64 Ų | 64 | 45% | 0.449 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.5 | -42.4 | 178.1 | -155.9 | -49.2 | 0 | 0 | 0 | 111.9 | T21 A57 I58 V59 V63 M64 W65 | T21-N61 HydrophobicContact CG2-CB 3.91Å; A57-N61 WeakPolarHBondContact O-CB 3.3Å; A57-N61 PolarHBondContact O-N 3.36Å; I58-N61 WeakPolarHBondContact O-CB 3.4Å; I58-N61 PolarHBondContact O-N 3.31Å; V59-N61 VanDerWaalsContact C-N 3.29Å; V59-N61 PolarHBondContact O-N 3.2Å; N61-V63 PolarHBondContact O-N 3.23Å; N61-M64 WeakPolarHBondContact O-CB 3.31Å; N61-M64 PolarHBondContact O-N 2.84Å; N61-W65 WeakPolarHBondContact O-CB 3.34Å; N61-W65 PolarHBondContact O-N 3.16Å |
| 62 | V | 94.4 | Very high | 92 | Very high | 74 Ų | 74 | 58.8 Ų | 58.8 | 45% | 0.448 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 175.1 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | I58 V59 M64 W65 L66 | I58-V62 HydrophobicContact CG2-CG2 4.34Å; I58-V62 WeakPolarHBondContact O-CG2 3.41Å; I58-V62 PolarHBondContact O-N 2.99Å; V59-V62 PolarHBondContact O-N 3.48Å; V62-M64 PolarHBondContact O-N 3.02Å; V62-W65 PolarHBondContact O-N 3.05Å; V62-L66 HydrophobicContact CG1-CD1 3.93Å; V62-L66 HydrophobicContact CG1-CG 4.3Å; V62-L66 WeakPolarHBondContact O-CG 3.14Å; V62-L66 PolarHBondContact O-N 3.39Å |
| 63 | V | 92.9 | Very high | 92 | Very high | 73 Ų | 73 | 60.3 Ų | 60.3 | 44% | 0.442 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.5 | -45.3 | 177.4 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | V59 L60 N61 W65 L66 A67 | V59-V63 WeakPolarHBondContact O-CG2 3.39Å; V59-V63 PolarHBondContact O-N 3.42Å; L60-V63 PolarHBondContact O-N 2.96Å; N61-V63 PolarHBondContact O-N 3.23Å; V63-W65 VanDerWaalsContact C-N 3.32Å; V63-W65 PolarHBondContact O-N 2.93Å; V63-L66 PolarHBondContact O-N 2.86Å; V63-A67 WeakPolarHBondContact O-CB 3.36Å; V63-A67 PolarHBondContact O-N 2.87Å |
| 64 | M | 92.6 | Very high | 91.9 | Very high | 32 Ų | 32 | 62.7 Ų | 62.7 | 16% | 0.158 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -56.5 | -47.5 | 174.9 | -179.6 | -140.1 | 88.6 | 0 | 0 | 111.4 | S14 C17 A18 L60 N61 V62 A67 L68 | S14-M64 WeakPolarHBondContact O-CG 3.43Å; S14-M64 PolarHBondContact OG-O 2.82Å; C17-M64 HydrophobicContact CB-CB 3.96Å; C17-M64 HydrophobicContact CB-CG 4.26Å; A18-M64 HydrophobicContact CB-CG 3.68Å; A18-M64 HydrophobicContact CB-SD 3.38Å; A18-M64 WeakPolarHBondContact CB-SD 3.3Å; L60-M64 PolarHBondContact O-N 2.81Å; N61-M64 WeakPolarHBondContact O-CB 3.31Å; N61-M64 PolarHBondContact O-N 2.84Å; V62-M64 PolarHBondContact O-N 3.02Å; M64-A67 PolarHBondContact O-N 3.21Å; M64-L68 PolarHBondContact O-N 3.01Å |
| 65 | W | 93.6 | Very high | 91.7 | Very high | 144 Ų | 144 | 56.9 Ų | 56.9 | 55% | 0.545 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.1 | -45.1 | -177.9 | -175.2 | 84.5 | 0 | 0 | 0 | 112 | N61 V62 V63 A67 L68 V69 | N61-W65 WeakPolarHBondContact O-CB 3.34Å; N61-W65 PolarHBondContact O-N 3.16Å; V62-W65 PolarHBondContact O-N 3.05Å; V63-W65 VanDerWaalsContact C-N 3.32Å; V63-W65 PolarHBondContact O-N 2.93Å; W65-A67 VanDerWaalsContact C-N 3.32Å; W65-A67 PolarHBondContact O-N 3.4Å; W65-L68 PolarHBondContact O-N 3.41Å; W65-L68 VanDerWaalsContact O-N 3.14Å; W65-V69 HydrophobicContact CD2-CG2 3.81Å; W65-V69 HydrophobicContact CE3-CG2 4.07Å; W65-V69 HydrophobicContact CG-CG2 4.47Å; W65-V69 HydrophobicContact CH2-CG2 3.88Å; W65-V69 HydrophobicContact CZ2-CG2 3.6Å; W65-V69 HydrophobicContact CZ3-CG2 4.1Å; W65-V69 WeakPolarHBondContact O-CG2 3.43Å; W65-V69 PolarHBondContact O-N 3.36Å |
| 66 | L | 94.4 | Very high | 91.2 | Very high | 88 Ų | 88 | 62.9 Ų | 62.9 | 46% | 0.461 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.9 | -42 | 176.5 | -71.2 | 173.7 | 0 | 0 | 0 | 111.7 | V62 V63 L68 V69 T70 | V62-L66 HydrophobicContact CG1-CD1 3.93Å; V62-L66 HydrophobicContact CG1-CG 4.3Å; V62-L66 WeakPolarHBondContact O-CG 3.14Å; V62-L66 PolarHBondContact O-N 3.39Å; V63-L66 PolarHBondContact O-N 2.86Å; L66-L68 VanDerWaalsContact C-N 3.33Å; L66-L68 PolarHBondContact O-N 3.33Å; L66-V69 PolarHBondContact O-N 3.08Å; L66-T70 VanDerWaalsContact O-CB 3.31Å; L66-T70 WeakPolarHBondContact O-CB 3.42Å; L66-T70 PolarHBondContact O-N 3.39Å; L66-T70 PolarHBondContact O-OG1 3.48Å |
| 67 | A | 91.7 | Very high | 91.1 | Very high | 19 Ų | 19 | 64 Ų | 64 | 16% | 0.157 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.1 | -40 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V63 M64 W65 A71 | V63-A67 WeakPolarHBondContact O-CB 3.36Å; V63-A67 PolarHBondContact O-N 2.87Å; M64-A67 PolarHBondContact O-N 3.21Å; W65-A67 VanDerWaalsContact C-N 3.32Å; W65-A67 PolarHBondContact O-N 3.4Å; A67-A71 WeakPolarHBondContact O-CB 3.49Å; A67-A71 PolarHBondContact O-N 2.9Å |
| 68 | L | 93.5 | Very high | 91.1 | Very high | 24 Ų | 24 | 66 Ų | 66 | 13% | 0.126 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.1 | -48.9 | 176.9 | -176.1 | 55.9 | 0 | 0 | 0 | 111.8 | S14 M64 W65 L66 T70 A71 L72 N85 | S14-L68 WeakPolarHBondContact OG-CB 3.39Å; S14-L68 PolarHBondContact OG-N 3.2Å; M64-L68 PolarHBondContact O-N 3.01Å; W65-L68 PolarHBondContact O-N 3.41Å; W65-L68 VanDerWaalsContact O-N 3.14Å; L66-L68 VanDerWaalsContact C-N 3.33Å; L66-L68 PolarHBondContact O-N 3.33Å; L68-T70 VanDerWaalsContact C-N 3.25Å; L68-T70 PolarHBondContact O-N 3.27Å; L68-A71 WeakPolarHBondContact O-CA 3.48Å; L68-A71 WeakPolarHBondContact O-CB 3.23Å; L68-A71 PolarHBondContact O-N 2.86Å; L68-L72 HydrophobicContact CD1-CD1 4.38Å; L68-L72 HydrophobicContact CD1-CG 4.26Å; L68-L72 HydrophobicContact CG-CD1 4.09Å; L68-L72 HydrophobicContact CG-CG 4.41Å; L68-L72 VanDerWaalsContact O-CG 3.31Å; L68-L72 WeakPolarHBondContact O-CG 3.41Å; L68-L72 PolarHBondContact O-N 2.8Å; L68-N85 HydrophobicContact CD1-CB 3.84Å |
| 69 | V | 94 | Very high | 91 | Very high | 59 Ų | 59 | 65.3 Ų | 65.3 | 36% | 0.358 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.3 | -41.8 | 179 | 171.4 | 0 | 0 | 0 | 0 | 110.6 | W65 L66 A71 L72 S73 | W65-V69 HydrophobicContact CD2-CG2 3.81Å; W65-V69 HydrophobicContact CE3-CG2 4.07Å; W65-V69 HydrophobicContact CG-CG2 4.47Å; W65-V69 HydrophobicContact CH2-CG2 3.88Å; W65-V69 HydrophobicContact CZ2-CG2 3.6Å; W65-V69 HydrophobicContact CZ3-CG2 4.1Å; W65-V69 WeakPolarHBondContact O-CG2 3.43Å; W65-V69 PolarHBondContact O-N 3.36Å; L66-V69 PolarHBondContact O-N 3.08Å; V69-A71 VanDerWaalsContact C-N 3.34Å; V69-L72 PolarHBondContact O-N 3.27Å; V69-S73 PolarHBondContact O-N 2.97Å; V69-S73 PolarHBondContact O-OG 3.39Å |
| 70 | T | 91.6 | Very high | 90.8 | Very high | 59 Ų | 59 | 61 Ų | 61 | 36% | 0.362 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.1 | -37.5 | 176 | -53.1 | 0 | 0 | 0 | 0 | 111.4 | L10 L66 L68 S73 I74 | L10-T70 HydrophobicContact CD2-CG2 3.43Å; L10-T70 VanDerWaalsContact CD2-CG2 3.43Å; L66-T70 VanDerWaalsContact O-CB 3.31Å; L66-T70 WeakPolarHBondContact O-CB 3.42Å; L66-T70 PolarHBondContact O-N 3.39Å; L66-T70 PolarHBondContact O-OG1 3.48Å; L68-T70 VanDerWaalsContact C-N 3.25Å; L68-T70 PolarHBondContact O-N 3.27Å; T70-S73 PolarHBondContact O-OG 2.95Å; T70-S73 VanDerWaalsContact O-OG 3.07Å; T70-I74 HydrophobicContact CG2-CD1 3.62Å; T70-I74 HydrophobicContact CG2-CG1 4.45Å; T70-I74 WeakPolarHBondContact O-CB 3.35Å; T70-I74 WeakPolarHBondContact O-CD1 3.39Å; T70-I74 VanDerWaalsContact O-CG1 3.23Å; T70-I74 WeakPolarHBondContact O-CG1 3.34Å; T70-I74 PolarHBondContact O-N 2.92Å |
| 71 | A | 90.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.9 | -42.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L10 A11 A67 L68 V69 S75 | L10-A71 HydrophobicContact CB-CB 3.96Å; L10-A71 HydrophobicContact CD2-CB 4.31Å; A11-A71 HydrophobicContact CB-CB 4.1Å; A67-A71 WeakPolarHBondContact O-CB 3.49Å; A67-A71 PolarHBondContact O-N 2.9Å; L68-A71 WeakPolarHBondContact O-CA 3.48Å; L68-A71 WeakPolarHBondContact O-CB 3.23Å; L68-A71 PolarHBondContact O-N 2.86Å; V69-A71 VanDerWaalsContact C-N 3.34Å; A71-S75 WeakPolarHBondContact O-CB 3.49Å; A71-S75 PolarHBondContact O-N 3.06Å; A71-S75 PolarHBondContact O-OG 3.14Å |
| 72 | L | 91.9 | Very high | 90.8 | Very high | 46 Ų | 46 | 57.9 Ų | 57.9 | 24% | 0.241 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68.2 | -36.4 | -179.5 | -67.1 | 171.9 | 0 | 0 | 0 | 112.8 | L68 V69 S78 A81 L82 | L68-L72 HydrophobicContact CD1-CD1 4.38Å; L68-L72 HydrophobicContact CD1-CG 4.26Å; L68-L72 HydrophobicContact CG-CD1 4.09Å; L68-L72 HydrophobicContact CG-CG 4.41Å; L68-L72 VanDerWaalsContact O-CG 3.31Å; L68-L72 WeakPolarHBondContact O-CG 3.41Å; L68-L72 PolarHBondContact O-N 2.8Å; V69-L72 PolarHBondContact O-N 3.27Å; L72-S78 VanDerWaalsContact CD2-O 3.31Å; L72-S78 WeakPolarHBondContact CD2-O 3.1Å; L72-A81 HydrophobicContact CD2-CB 4.31Å; L72-L82 HydrophobicContact CD1-CD1 4.37Å; L72-L82 HydrophobicContact CD2-CB 4.17Å; L72-L82 HydrophobicContact CD2-CD1 4.25Å |
| 73 | S | 89.5 | Confident | 90.8 | Very high | 90 Ų | 90 | 55.4 Ų | 55.4 | 63% | 0.629 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -74.2 | -31.1 | -179.8 | 67.1 | 0 | 0 | 0 | 0 | 113.1 | V69 T70 | V69-S73 PolarHBondContact O-N 2.97Å; V69-S73 PolarHBondContact O-OG 3.39Å; T70-S73 PolarHBondContact O-OG 2.95Å; T70-S73 VanDerWaalsContact O-OG 3.07Å |
| 74 | I | 87.9 | Confident | 90.8 | Very high | 52 Ų | 52 | 52.8 Ų | 52.8 | 27% | 0.267 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -89.5 | -26.2 | -178.1 | -63.4 | 175.3 | 0 | 0 | 0 | 111.5 | S3 T70 | S3-I74 WeakPolarHBondContact O-CG2 3.44Å; S3-I74 WeakPolarHBondContact OG-CG2 3.29Å; T70-I74 HydrophobicContact CG2-CD1 3.62Å; T70-I74 HydrophobicContact CG2-CG1 4.45Å; T70-I74 WeakPolarHBondContact O-CB 3.35Å; T70-I74 WeakPolarHBondContact O-CD1 3.39Å; T70-I74 VanDerWaalsContact O-CG1 3.23Å; T70-I74 WeakPolarHBondContact O-CG1 3.34Å; T70-I74 PolarHBondContact O-N 2.92Å |
| 75 | S | 85.2 | Confident | 90.9 | Very high | 11 Ų | 11 | 51.8 Ų | 51.8 | 8% | 0.077 | 28% | 0.284 | C | S | . | . | trans | -78.8 | 133.7 | -177 | -63.3 | 0 | 0 | 0 | 0 | 112.3 | G7 A71 K77 A81 | G7-S75 VanDerWaalsContact CA-OG 3.26Å; G7-S75 WeakPolarHBondContact CA-OG 3.35Å; A71-S75 WeakPolarHBondContact O-CB 3.49Å; A71-S75 PolarHBondContact O-N 3.06Å; A71-S75 PolarHBondContact O-OG 3.14Å; S75-K77 VanDerWaalsContact C-N 3.28Å; S75-K77 PolarHBondContact O-N 2.93Å; S75-A81 WeakPolarHBondContact OG-CB 3.42Å | ||
| 76 | Q | 80.9 | Confident | 91 | Very high | 153 Ų | 153 | 47.4 Ų | 47.4 | 72% | 0.715 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -65.6 | -31.7 | 176.8 | -158.3 | 178.4 | -11.1 | 0 | 0 | 112.7 | N4 | N4-Q76 PolarHBondContact ND2-OE1 3.48Š|
| 77 | K | 85.9 | Confident | 91 | Very high | 49 Ų | 49 | 45.1 Ų | 45.1 | 21% | 0.213 | 26% | 0.261 | C | S | . | . | trans | -118.5 | 98.1 | 173 | -57.7 | -148.6 | -155.4 | 93.5 | 0 | 110.5 | S75 V79 A80 A81 L123 V124 E126 | S75-K77 VanDerWaalsContact C-N 3.28Å; S75-K77 PolarHBondContact O-N 2.93Å; K77-V79 PolarHBondContact O-N 3.38Å; K77-A80 HydrophobicContact CB-CB 3.87Å; K77-A80 PolarHBondContact O-N 3.35Å; K77-A80 VanDerWaalsContact O-N 3.15Å; K77-A81 PolarHBondContact O-N 3.03Å; K77-A81 VanDerWaalsContact O-N 3.12Å; K77-L123 PolarHBondContact NZ-O 3.15Å; K77-V124 PolarHBondContact NZ-O 3.04Å; K77-E126 WeakPolarHBondContact CE-O 3.3Å; K77-E126 PolarHBondContact NZ-O 3.23Å | ||
| 78 | S | 89.8 | Confident | 91.2 | Very high | 61 Ų | 61 | 44.7 Ų | 44.7 | 43% | 0.427 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59 | -36.6 | -180 | -46 | 0 | 0 | 0 | 0 | 112.1 | L72 A81 L82 | L72-S78 VanDerWaalsContact CD2-O 3.31Å; L72-S78 WeakPolarHBondContact CD2-O 3.1Å; S78-A81 PolarHBondContact O-N 2.71Å; S78-L82 WeakPolarHBondContact O-CB 3.43Å; S78-L82 PolarHBondContact O-N 2.97Å |
| 79 | V | 90.7 | Very high | 91.3 | Very high | 97 Ų | 97 | 45 Ų | 45 | 59% | 0.588 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -62 | -44.8 | 176.8 | 179.6 | 0 | 0 | 0 | 0 | 111.5 | K77 A81 L82 A83 L123 | K77-V79 PolarHBondContact O-N 3.38Å; V79-A81 PolarHBondContact O-N 2.87Å; V79-L82 PolarHBondContact O-N 3.49Å; V79-A83 WeakPolarHBondContact O-CB 3.33Å; V79-A83 PolarHBondContact O-N 3.38Å; V79-L123 HydrophobicContact CG1-CD1 4.19Å; V79-L123 HydrophobicContact CG1-CD2 4.22Å |
| 80 | A | 90.9 | Very high | 91.4 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.008 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.4 | -38.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y8 K77 T84 L123 V124 | Y8-A80 HydrophobicContact CE1-CB 3.86Å; K77-A80 HydrophobicContact CB-CB 3.87Å; K77-A80 PolarHBondContact O-N 3.35Å; K77-A80 VanDerWaalsContact O-N 3.15Å; A80-T84 WeakPolarHBondContact O-CB 3.35Å; A80-T84 PolarHBondContact O-N 3.05Å; A80-T84 PolarHBondContact O-OG1 3.34Å; A80-L123 HydrophobicContact CB-CB 4.21Å; A80-V124 HydrophobicContact CB-CG2 3.96Å |
| 81 | A | 92 | Very high | 91.6 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.9 | -44.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A11 L72 S75 K77 S78 V79 A83 T84 N85 | A11-A81 HydrophobicContact CB-CB 4.42Å; A11-A81 WeakPolarHBondContact CB-O 3.34Å; L72-A81 HydrophobicContact CD2-CB 4.31Å; S75-A81 WeakPolarHBondContact OG-CB 3.42Å; K77-A81 PolarHBondContact O-N 3.03Å; K77-A81 VanDerWaalsContact O-N 3.12Å; S78-A81 PolarHBondContact O-N 2.71Å; V79-A81 PolarHBondContact O-N 2.87Å; A81-A83 PolarHBondContact O-N 2.66Å; A81-T84 PolarHBondContact O-N 3.38Å; A81-N85 WeakPolarHBondContact O-CB 3.48Å; A81-N85 PolarHBondContact O-N 2.85Å |
| 82 | L | 93.6 | Very high | 91.8 | Very high | 83 Ų | 83 | 49.6 Ų | 49.6 | 44% | 0.435 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 177.1 | -165.7 | 111.2 | 0 | 0 | 0 | 111.8 | L72 S78 V79 N85 T86 | L72-L82 HydrophobicContact CD1-CD1 4.37Å; L72-L82 HydrophobicContact CD2-CB 4.17Å; L72-L82 HydrophobicContact CD2-CD1 4.25Å; S78-L82 WeakPolarHBondContact O-CB 3.43Å; S78-L82 PolarHBondContact O-N 2.97Å; V79-L82 PolarHBondContact O-N 3.49Å; L82-N85 WeakPolarHBondContact O-CB 3.38Å; L82-N85 PolarHBondContact O-N 3.41Å; L82-T86 PolarHBondContact O-N 2.91Å; L82-T86 PolarHBondContact O-OG1 2.91Å; L82-T86 VanDerWaalsContact O-OG1 3.05Å |
| 83 | A | 93.7 | Very high | 91.9 | Very high | 23 Ų | 23 | 49.2 Ų | 49.2 | 19% | 0.19 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.2 | -42.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | V79 A81 N85 T86 L87 I120 L123 | V79-A83 WeakPolarHBondContact O-CB 3.33Å; V79-A83 PolarHBondContact O-N 3.38Å; A81-A83 PolarHBondContact O-N 2.66Å; A83-N85 VanDerWaalsContact C-N 3.31Å; A83-N85 PolarHBondContact O-N 2.94Å; A83-T86 PolarHBondContact O-N 2.87Å; A83-L87 WeakPolarHBondContact O-CB 3.38Å; A83-L87 PolarHBondContact O-N 3.32Å; A83-I120 VanDerWaalsContact C-CD1 3.42Å; A83-I120 HydrophobicContact CB-CD1 3.79Å; A83-I120 HydrophobicContact CB-CG1 3.62Å; A83-I120 WeakPolarHBondContact O-CD1 3.44Å; A83-L123 HydrophobicContact CB-CD1 4.27Å |
| 84 | T | 93.5 | Very high | 92.2 | Very high | 18 Ų | 18 | 45.7 Ų | 45.7 | 11% | 0.11 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.2 | -42.1 | 174.7 | -57.3 | 0 | 0 | 0 | 0 | 111.7 | A11 V12 A80 A81 L87 S88 | A11-T84 HydrophobicContact CB-CG2 4.25Å; V12-T84 HydrophobicContact CG2-CG2 3.7Å; A80-T84 WeakPolarHBondContact O-CB 3.35Å; A80-T84 PolarHBondContact O-N 3.05Å; A80-T84 PolarHBondContact O-OG1 3.34Å; A81-T84 PolarHBondContact O-N 3.38Å; T84-L87 PolarHBondContact O-N 2.97Å; T84-S88 VanDerWaalsContact O-CB 3.3Å; T84-S88 WeakPolarHBondContact O-CB 3.31Å; T84-S88 PolarHBondContact O-N 3.49Å |
| 85 | N | 94.9 | Very high | 92.5 | Very high | 11 Ų | 11 | 45.4 Ų | 45.4 | 6% | 0.059 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.8 | -46.5 | 175.2 | 174.7 | -99.6 | 0 | 0 | 0 | 112 | A11 S14 G15 L68 A81 L82 A83 S88 N89 | A11-N85 HydrophobicContact CB-CB 4.23Å; A11-N85 WeakPolarHBondContact O-CA 3.38Å; A11-N85 PolarHBondContact O-ND2 3.41Å; S14-N85 WeakPolarHBondContact CB-ND2 3.38Å; S14-N85 PolarHBondContact OG-ND2 3.45Å; G15-N85 WeakPolarHBondContact CA-ND2 3.48Å; G15-N85 WeakPolarHBondContact CA-O 3.15Å; G15-N85 PolarHBondContact N-ND2 3.27Å; L68-N85 HydrophobicContact CD1-CB 3.84Å; A81-N85 WeakPolarHBondContact O-CB 3.48Å; A81-N85 PolarHBondContact O-N 2.85Å; L82-N85 WeakPolarHBondContact O-CB 3.38Å; L82-N85 PolarHBondContact O-N 3.41Å; A83-N85 VanDerWaalsContact C-N 3.31Å; A83-N85 PolarHBondContact O-N 2.94Å; N85-S88 WeakPolarHBondContact O-CB 3.44Å; N85-S88 PolarHBondContact O-N 3.47Å; N85-N89 WeakPolarHBondContact O-CB 3.36Å; N85-N89 PolarHBondContact O-N 3.41Å |
| 86 | T | 94.5 | Very high | 92.9 | Very high | 52 Ų | 52 | 46.9 Ų | 46.9 | 32% | 0.319 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.8 | -42.5 | 179.9 | -60.2 | 0 | 0 | 0 | 0 | 111.2 | L82 A83 S88 N89 F90 | L82-T86 PolarHBondContact O-N 2.91Å; L82-T86 PolarHBondContact O-OG1 2.91Å; L82-T86 VanDerWaalsContact O-OG1 3.05Å; A83-T86 PolarHBondContact O-N 2.87Å; T86-S88 PolarHBondContact O-N 2.93Å; T86-N89 PolarHBondContact O-N 3.07Å; T86-F90 HydrophobicContact CG2-CD2 4.18Å; T86-F90 HydrophobicContact CG2-CE1 4.24Å; T86-F90 HydrophobicContact CG2-CE2 3.72Å; T86-F90 HydrophobicContact CG2-CZ 3.76Å; T86-F90 WeakPolarHBondContact O-CG 3.42Å; T86-F90 PolarHBondContact O-N 3.43Å |
| 87 | L | 95.2 | Very high | 93.4 | Very high | 39 Ų | 39 | 39.8 Ų | 39.8 | 20% | 0.204 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.4 | -48.8 | 174.7 | -166.2 | 85.6 | 0 | 0 | 0 | 111.3 | A83 T84 F90 A91 M113 L116 I120 | A83-L87 WeakPolarHBondContact O-CB 3.38Å; A83-L87 PolarHBondContact O-N 3.32Å; T84-L87 PolarHBondContact O-N 2.97Å; L87-F90 PolarHBondContact O-N 3.44Å; L87-A91 WeakPolarHBondContact O-CB 3.5Å; L87-A91 PolarHBondContact O-N 3.42Å; L87-M113 HydrophobicContact CD1-CE 2.95Å; L87-M113 HydrophobicContact CG-CE 3.49Å; L87-M113 VanDerWaalsContact CG-CE 3.49Å; L87-L116 HydrophobicContact CD1-CB 3.54Å; L87-I120 HydrophobicContact CB-CD1 3.51Å; L87-I120 HydrophobicContact CD1-CD1 3.7Å; L87-I120 HydrophobicContact CD2-CD1 3.97Å; L87-I120 HydrophobicContact CG-CD1 3.93Å |
| 88 | S | 95.5 | Very high | 93.7 | Very high | 10 Ų | 10 | 44.5 Ų | 44.5 | 7% | 0.07 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.7 | -47.6 | 176.7 | 178.2 | 0 | 0 | 0 | 0 | 110.8 | V12 T84 N85 T86 F90 A91 F92 | V12-S88 PolarHBondContact O-OG 3.36Å; T84-S88 VanDerWaalsContact O-CB 3.3Å; T84-S88 WeakPolarHBondContact O-CB 3.31Å; T84-S88 PolarHBondContact O-N 3.49Å; N85-S88 WeakPolarHBondContact O-CB 3.44Å; N85-S88 PolarHBondContact O-N 3.47Å; T86-S88 PolarHBondContact O-N 2.93Å; S88-F90 PolarHBondContact O-N 2.96Å; S88-A91 PolarHBondContact O-N 2.94Å; S88-F92 WeakPolarHBondContact O-CD2 3.31Å; S88-F92 PolarHBondContact O-N 3.35Å; S88-F92 VanDerWaalsContact OG-CD2 3.32Å; S88-F92 WeakPolarHBondContact OG-CD2 3.44Å; S88-F92 VanDerWaalsContact OG-CE2 3.23Å; S88-F92 WeakPolarHBondContact OG-CE2 3.36Å |
| 89 | N | 96 | Very high | 93.9 | Very high | 32 Ų | 32 | 46 Ų | 46 | 17% | 0.171 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.9 | -47.6 | 177.2 | -176 | 13.6 | 0 | 0 | 0 | 112.1 | G15 A18 A19 N85 T86 S93 | G15-N89 WeakPolarHBondContact O-CA 3.28Å; A18-N89 HydrophobicContact CB-CB 4.08Å; A19-N89 WeakPolarHBondContact CA-OD1 3.26Å; A19-N89 PolarHBondContact N-OD1 3.25Å; N85-N89 WeakPolarHBondContact O-CB 3.36Å; N85-N89 PolarHBondContact O-N 3.41Å; T86-N89 PolarHBondContact O-N 3.07Å; N89-S93 WeakPolarHBondContact O-CB 3.36Å; N89-S93 PolarHBondContact O-N 3.49Å; N89-S93 PolarHBondContact O-OG 3.2Å; N89-S93 PolarHBondContact OD1-OG 3.45Å |
| 90 | F | 94.9 | Very high | 93.9 | Very high | 100 Ų | 100 | 45.3 Ų | 45.3 | 44% | 0.439 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64 | -44.2 | 178.1 | -69.8 | -13.3 | 0 | 0 | 0 | 112.6 | T86 L87 S88 A94 L116 | T86-F90 HydrophobicContact CG2-CD2 4.18Å; T86-F90 HydrophobicContact CG2-CE1 4.24Å; T86-F90 HydrophobicContact CG2-CE2 3.72Å; T86-F90 HydrophobicContact CG2-CZ 3.76Å; T86-F90 WeakPolarHBondContact O-CG 3.42Å; T86-F90 PolarHBondContact O-N 3.43Å; L87-F90 PolarHBondContact O-N 3.44Å; S88-F90 PolarHBondContact O-N 2.96Å; F90-A94 WeakPolarHBondContact O-CB 3.2Å; F90-A94 PolarHBondContact O-N 2.9Å; F90-L116 HydrophobicContact CD2-CD1 3.92Å; F90-L116 HydrophobicContact CE2-CD1 4.23Å |
| 91 | A | 95.5 | Very high | 93.8 | Very high | 41 Ų | 41 | 47.6 Ų | 47.6 | 34% | 0.339 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.6 | -48.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L87 S88 A94 A95 M113 | L87-A91 WeakPolarHBondContact O-CB 3.5Å; L87-A91 PolarHBondContact O-N 3.42Å; S88-A91 PolarHBondContact O-N 2.94Å; A91-A94 PolarHBondContact O-N 3.2Å; A91-A95 WeakPolarHBondContact O-CB 3.35Å; A91-A95 PolarHBondContact O-N 3.06Å; A91-M113 HydrophobicContact CB-SD 4.47Å |
| 92 | F | 95.9 | Very high | 93.6 | Very high | 72 Ų | 72 | 54.3 Ų | 54.3 | 32% | 0.316 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -71.1 | -39.7 | 179.2 | -72.6 | -60.2 | 0 | 0 | 0 | 112.7 | V12 F16 A19 S88 A94 A95 F96 | V12-F92 HydrophobicContact CG1-CE2 4.41Å; F16-F92 HydrophobicContact CB-CD2 3.76Å; F16-F92 HydrophobicContact CB-CE2 3.78Å; F16-F92 HydrophobicContact CB-CG 4.45Å; F16-F92 HydrophobicContact CB-CZ 4.46Å; F16-F92 HydrophobicContact CD2-CB 4.42Å; F16-F92 AromaticContact CD2-CD1 3.76Å; F16-F92 HydrophobicContact CD2-CD1 3.76Å; F16-F92 AromaticContact CD2-CD2 3.88Å; F16-F92 HydrophobicContact CD2-CD2 3.88Å; F16-F92 AromaticContact CD2-CE1 3.89Å; F16-F92 HydrophobicContact CD2-CE1 3.89Å; F16-F92 HydrophobicContact CD2-CE2 4.02Å; F16-F92 AromaticContact CD2-CG 3.77Å; F16-F92 HydrophobicContact CD2-CG 3.77Å; F16-F92 HydrophobicContact CD2-CZ 4.02Å; F16-F92 HydrophobicContact CE2-CD1 4.31Å; F16-F92 HydrophobicContact CE2-CE1 4.45Å; F16-F92 HydrophobicContact CG-CD2 4.34Å; F16-F92 HydrophobicContact CG-CE2 4.38Å; A19-F92 HydrophobicContact CB-CB 3.49Å; A19-F92 VanDerWaalsContact CB-CB 3.49Å; S88-F92 WeakPolarHBondContact O-CD2 3.31Å; S88-F92 PolarHBondContact O-N 3.35Å; S88-F92 VanDerWaalsContact OG-CD2 3.32Å; S88-F92 WeakPolarHBondContact OG-CD2 3.44Å; S88-F92 VanDerWaalsContact OG-CE2 3.23Å; S88-F92 WeakPolarHBondContact OG-CE2 3.36Å; F92-A94 VanDerWaalsContact C-N 3.29Å; F92-A94 PolarHBondContact O-N 3.01Å; F92-A95 WeakPolarHBondContact O-CB 3.43Å; F92-A95 PolarHBondContact O-N 3.38Å; F92-F96 HydrophobicContact CB-CE2 4.35Å; F92-F96 VanDerWaalsContact O-CD2 3.27Å; F92-F96 WeakPolarHBondContact O-CD2 3.45Å; F92-F96 VanDerWaalsContact O-CG 3.31Å; F92-F96 WeakPolarHBondContact O-CG 3.49Å; F92-F96 PolarHBondContact O-N 2.88Å |
| 93 | S | 94.3 | Very high | 93.4 | Very high | 38 Ų | 38 | 54.8 Ų | 54.8 | 27% | 0.266 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.1 | -41.4 | 175.6 | -68.6 | 0 | 0 | 0 | 0 | 111.1 | A19 N89 F96 G97 | A19-S93 WeakPolarHBondContact CA-OG 3.33Å; A19-S93 WeakPolarHBondContact CB-OG 3.4Å; N89-S93 WeakPolarHBondContact O-CB 3.36Å; N89-S93 PolarHBondContact O-N 3.49Å; N89-S93 PolarHBondContact O-OG 3.2Å; N89-S93 PolarHBondContact OD1-OG 3.45Å; S93-F96 PolarHBondContact O-N 2.92Å; S93-G97 PolarHBondContact O-N 3.34Å |
| 94 | A | 94.6 | Very high | 93.2 | Very high | 17 Ų | 17 | 62.6 Ų | 62.6 | 14% | 0.14 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.3 | -40.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F90 A91 F92 F96 G97 R98 L105 W109 | F90-A94 WeakPolarHBondContact O-CB 3.2Å; F90-A94 PolarHBondContact O-N 2.9Å; A91-A94 PolarHBondContact O-N 3.2Å; F92-A94 VanDerWaalsContact C-N 3.29Å; F92-A94 PolarHBondContact O-N 3.01Å; A94-F96 VanDerWaalsContact C-N 3.34Å; A94-F96 PolarHBondContact O-N 3.05Å; A94-G97 PolarHBondContact O-N 3.49Å; A94-R98 WeakPolarHBondContact O-CB 3.49Å; A94-R98 PolarHBondContact O-N 3.2Å; A94-L105 HydrophobicContact CB-CD2 3.87Å; A94-W109 HydrophobicContact CB-CH2 4.04Å; A94-W109 HydrophobicContact CB-CZ2 3.24Å |
| 95 | A | 94.6 | Very high | 93 | Very high | 45 Ų | 45 | 64.1 Ų | 64.1 | 37% | 0.372 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60 | -43.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A91 F92 R98 C99 | A91-A95 WeakPolarHBondContact O-CB 3.35Å; A91-A95 PolarHBondContact O-N 3.06Å; F92-A95 WeakPolarHBondContact O-CB 3.43Å; F92-A95 PolarHBondContact O-N 3.38Å; A95-R98 PolarHBondContact O-N 3.38Å; A95-C99 VanDerWaalsContact O-CB 3.3Å; A95-C99 WeakPolarHBondContact O-CB 3.35Å; A95-C99 PolarHBondContact O-N 3.46Å; A95-C99 PolarHBondContact O-SG 3.05Å |
| 96 | F | 93.5 | Very high | 92.8 | Very high | 43 Ų | 43 | 67.7 Ų | 67.7 | 19% | 0.189 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.8 | -42.2 | 174.9 | -63.4 | -35.6 | 0 | 0 | 0 | 112.5 | F16 A19 L23 F92 S93 A94 R98 C99 I100 | F16-F96 HydrophobicContact CD2-CZ 4.45Å; F16-F96 AromaticContact CE2-CZ 3.77Å; F16-F96 HydrophobicContact CE2-CZ 3.77Å; F16-F96 HydrophobicContact CZ-CZ 4.36Å; A19-F96 HydrophobicContact CB-CD2 3.98Å; A19-F96 HydrophobicContact CB-CE2 3.79Å; L23-F96 HydrophobicContact CB-CD2 4.25Å; L23-F96 HydrophobicContact CD1-CB 4.41Å; L23-F96 HydrophobicContact CD2-CB 4.23Å; L23-F96 HydrophobicContact CD2-CD1 4.26Å; L23-F96 HydrophobicContact CD2-CD2 4.04Å; L23-F96 HydrophobicContact CD2-CE2 4.46Å; L23-F96 HydrophobicContact CD2-CG 3.94Å; F92-F96 HydrophobicContact CB-CE2 4.35Å; F92-F96 VanDerWaalsContact O-CD2 3.27Å; F92-F96 WeakPolarHBondContact O-CD2 3.45Å; F92-F96 VanDerWaalsContact O-CG 3.31Å; F92-F96 WeakPolarHBondContact O-CG 3.49Å; F92-F96 PolarHBondContact O-N 2.88Å; S93-F96 PolarHBondContact O-N 2.92Å; A94-F96 VanDerWaalsContact C-N 3.34Å; A94-F96 PolarHBondContact O-N 3.05Å; F96-R98 VanDerWaalsContact C-N 3.33Å; F96-R98 PolarHBondContact O-N 2.99Å; F96-C99 PolarHBondContact O-N 3.47Å; F96-I100 HydrophobicContact CB-CD1 4.37Å; F96-I100 VanDerWaalsContact O-CB 3.29Å; F96-I100 WeakPolarHBondContact O-CB 3.46Å; F96-I100 PolarHBondContact O-N 3.2Å |
| 97 | G | 92.7 | Very high | 92.6 | Very high | 4 Ų | 4 | 68 Ų | 68 | 4% | 0.041 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -50.5 | -52.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | S93 A94 F101 Q102 E103 | S93-G97 PolarHBondContact O-N 3.34Å; A94-G97 PolarHBondContact O-N 3.49Å; G97-F101 CarbonylContact O-C 3.21Å; G97-F101 WeakPolarHBondContact O-CA 3.44Å; G97-F101 WeakPolarHBondContact O-CB 3.44Å; G97-F101 PolarHBondContact O-N 3.07Å; G97-Q102 PolarHBondContact O-N 3.47Å; G97-Q102 VanDerWaalsContact O-N 3.16Å; G97-E103 PolarHBondContact O-N 2.89Å |
| 98 | R | 92.2 | Very high | 92.5 | Very high | 147 Ų | 147 | 72.5 Ų | 72.5 | 56% | 0.555 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -66.5 | -45 | -179.7 | -149.3 | -73.3 | -155.9 | 167.9 | 6.9 | 113.2 | A94 A95 F96 Q102 L105 | A94-R98 WeakPolarHBondContact O-CB 3.49Å; A94-R98 PolarHBondContact O-N 3.2Å; A95-R98 PolarHBondContact O-N 3.38Å; F96-R98 VanDerWaalsContact C-N 3.33Å; F96-R98 PolarHBondContact O-N 2.99Å; R98-Q102 VanDerWaalsContact O-CA 3.31Å; R98-Q102 WeakPolarHBondContact O-CA 3.38Å; R98-Q102 PolarHBondContact O-N 3.24Å; R98-L105 HydrophobicContact CB-CD1 3.72Å; R98-L105 HydrophobicContact CG-CD1 3.17Å |
| 99 | C | 92.7 | Very high | 92.4 | Very high | 92 Ų | 92 | 76 Ų | 76 | 62% | 0.622 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -76.9 | -40.5 | -174.2 | -72.2 | 0 | 0 | 0 | 0 | 112.7 | A95 F96 Q102 | A95-C99 VanDerWaalsContact O-CB 3.3Å; A95-C99 WeakPolarHBondContact O-CB 3.35Å; A95-C99 PolarHBondContact O-N 3.46Å; A95-C99 PolarHBondContact O-SG 3.05Å; F96-C99 PolarHBondContact O-N 3.47Å; C99-Q102 PolarHBondContact O-NE2 3.1Å |
| 100 | I | 90.5 | Very high | 92.3 | Very high | 83 Ų | 83 | 79.7 Ų | 79.7 | 43% | 0.426 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -95.8 | -44.6 | -171.4 | -61 | 173.6 | 0 | 0 | 0 | 111 | L23 L27 F96 | L23-I100 HydrophobicContact CD1-CD1 3.55Å; L23-I100 HydrophobicContact CD1-CG2 4.49Å; L23-I100 HydrophobicContact CD2-CD1 3.44Å; L23-I100 VanDerWaalsContact CD2-CD1 3.44Å; L23-I100 HydrophobicContact CG-CD1 4.11Å; L27-I100 HydrophobicContact CD2-CG2 4.4Å; F96-I100 HydrophobicContact CB-CD1 4.37Å; F96-I100 VanDerWaalsContact O-CB 3.29Å; F96-I100 WeakPolarHBondContact O-CB 3.46Å; F96-I100 PolarHBondContact O-N 3.2Å |
| 101 | F | 89.6 | Confident | 92.3 | Very high | 50 Ų | 50 | 80.6 Ų | 80.6 | 22% | 0.219 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -99.7 | -1.6 | -175.9 | -56 | -81.2 | 0 | 0 | 0 | 113.2 | L23 K26 L27 G97 E103 | L23-F101 HydrophobicContact CD1-CE2 3.56Å; L23-F101 HydrophobicContact CD1-CZ 3.95Å; K26-F101 HydrophobicContact CB-CZ 4.16Å; K26-F101 HydrophobicContact CD-CD2 4.42Å; K26-F101 HydrophobicContact CD-CE1 4.02Å; K26-F101 HydrophobicContact CD-CE2 3.8Å; K26-F101 HydrophobicContact CD-CZ 3.58Å; K26-F101 HydrophobicContact CG-CE1 4.13Å; K26-F101 HydrophobicContact CG-CE2 4.43Å; K26-F101 HydrophobicContact CG-CZ 3.75Å; L27-F101 HydrophobicContact CD2-CE1 4.12Å; L27-F101 HydrophobicContact CD2-CZ 3.85Å; L27-F101 HydrophobicContact CG-CZ 4.26Å; G97-F101 CarbonylContact O-C 3.21Å; G97-F101 WeakPolarHBondContact O-CA 3.44Å; G97-F101 WeakPolarHBondContact O-CB 3.44Å; G97-F101 PolarHBondContact O-N 3.07Å; F101-E103 HydrophobicContact CB-CG 3.97Å; F101-E103 PolarHBondContact O-N 3.26Å |
| 102 | Q | 88.8 | Confident | 92.3 | Very high | 141 Ų | 141 | 80.3 Ų | 80.3 | 66% | 0.659 | 43% | 0.428 | S | S | * | . | trans | 54.8 | 31.8 | -176.8 | -59.7 | -68.4 | -45.8 | 0 | 0 | 112.6 | G97 R98 C99 | G97-Q102 PolarHBondContact O-N 3.47Å; G97-Q102 VanDerWaalsContact O-N 3.16Å; R98-Q102 VanDerWaalsContact O-CA 3.31Å; R98-Q102 WeakPolarHBondContact O-CA 3.38Å; R98-Q102 PolarHBondContact O-N 3.24Å; C99-Q102 PolarHBondContact O-NE2 3.1Å | ||
| 103 | E | 89.1 | Confident | 92.2 | Very high | 92 Ų | 92 | 78 Ų | 78 | 43% | 0.43 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 133 | 176.6 | -71.5 | 173.5 | 178.8 | 0 | 0 | 110.6 | K26 G97 F101 | K26-E103 IonicContact NZ-OE1 2.66Å; K26-E103 PolarHBondContact NZ-OE1 3.18Å; G97-E103 PolarHBondContact O-N 2.89Å; F101-E103 HydrophobicContact CB-CG 3.97Å; F101-E103 PolarHBondContact O-N 3.26Å |
| 104 | E | 89.1 | Confident | 92.3 | Very high | 188 Ų | 188 | 81.4 Ų | 81.4 | 88% | 0.879 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -78 | 127.2 | 176.9 | -66.4 | -167.3 | 162.9 | 0 | 0 | 111.2 | ||
| 105 | L | 88.9 | Confident | 92.3 | Very high | 50 Ų | 50 | 84.8 Ų | 84.8 | 26% | 0.262 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -86.5 | 116.3 | 170 | -61.9 | 103.9 | 0 | 0 | 0 | 109.8 | A94 R98 W109 F110 | A94-L105 HydrophobicContact CB-CD2 3.87Å; R98-L105 HydrophobicContact CB-CD1 3.72Å; R98-L105 HydrophobicContact CG-CD1 3.17Å; L105-W109 HydrophobicContact CB-CE3 4.35Å; L105-W109 HydrophobicContact CD2-CD2 3.37Å; L105-W109 HydrophobicContact CD2-CE3 3.31Å; L105-W109 HydrophobicContact CD2-CG 4.03Å; L105-W109 HydrophobicContact CD2-CH2 3.77Å; L105-W109 HydrophobicContact CD2-CZ2 3.81Å; L105-W109 HydrophobicContact CD2-CZ3 3.52Å; L105-W109 HydrophobicContact CG-CD2 4.46Å; L105-W109 HydrophobicContact CG-CE3 4.44Å; L105-F110 HydrophobicContact CB-CE2 3.85Å; L105-F110 HydrophobicContact CB-CZ 4.21Å |
| 106 | T | 91.7 | Very high | 92.3 | Very high | 86 Ų | 86 | 86.6 Ų | 86.6 | 53% | 0.528 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 155.7 | 176 | 62 | 0 | 0 | 0 | 0 | 111.5 | N108 W109 F110 | T106-N108 PolarHBondContact O-N 2.98Å; T106-N108 VanDerWaalsContact O-N 3.16Å; T106-W109 VanDerWaalsContact O-CB 3.29Å; T106-W109 WeakPolarHBondContact O-CB 3.37Å; T106-W109 PolarHBondContact O-N 3.41Å; T106-W109 PolarHBondContact OG1-N 3.39Å; T106-F110 WeakPolarHBondContact O-CD2 3.41Å |
| 107 | G | 90.4 | Very high | 92.3 | Very high | 59 Ų | 59 | 86.2 Ų | 86.2 | 61% | 0.608 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -54.9 | -32.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113 | W109 F110 L111 | G107-W109 VanDerWaalsContact C-N 3.31Å; G107-W109 PolarHBondContact O-N 3.02Å; G107-F110 PolarHBondContact O-N 3.45Å; G107-L111 PolarHBondContact O-N 3.31Å; G107-L111 VanDerWaalsContact O-N 3.12Å |
| 108 | N | 93.1 | Very high | 92.4 | Very high | 133 Ų | 133 | 90.4 Ų | 90.4 | 71% | 0.711 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.8 | -33.7 | 175.7 | -68.3 | -8.1 | 0 | 0 | 0 | 112.6 | T106 L111 G112 | T106-N108 PolarHBondContact O-N 2.98Å; T106-N108 VanDerWaalsContact O-N 3.16Å; N108-L111 PolarHBondContact O-N 3.36Å; N108-G112 PolarHBondContact O-N 3.02Å |
| 109 | W | 93.2 | Very high | 92.5 | Very high | 82 Ų | 82 | 85 Ų | 85 | 31% | 0.311 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.8 | -45.8 | 174.7 | -179.3 | 92.1 | 0 | 0 | 0 | 110.9 | A94 L105 T106 G107 L111 G112 M113 | A94-W109 HydrophobicContact CB-CH2 4.04Å; A94-W109 HydrophobicContact CB-CZ2 3.24Å; L105-W109 HydrophobicContact CB-CE3 4.35Å; L105-W109 HydrophobicContact CD2-CD2 3.37Å; L105-W109 HydrophobicContact CD2-CE3 3.31Å; L105-W109 HydrophobicContact CD2-CG 4.03Å; L105-W109 HydrophobicContact CD2-CH2 3.77Å; L105-W109 HydrophobicContact CD2-CZ2 3.81Å; L105-W109 HydrophobicContact CD2-CZ3 3.52Å; L105-W109 HydrophobicContact CG-CD2 4.46Å; L105-W109 HydrophobicContact CG-CE3 4.44Å; T106-W109 VanDerWaalsContact O-CB 3.29Å; T106-W109 WeakPolarHBondContact O-CB 3.37Å; T106-W109 PolarHBondContact O-N 3.41Å; T106-W109 PolarHBondContact OG1-N 3.39Å; G107-W109 VanDerWaalsContact C-N 3.31Å; G107-W109 PolarHBondContact O-N 3.02Å; W109-L111 VanDerWaalsContact C-N 3.34Å; W109-L111 PolarHBondContact O-N 3.2Å; W109-G112 PolarHBondContact O-N 2.89Å; W109-M113 HydrophobicContact CE3-CB 4.42Å; W109-M113 HydrophobicContact CH2-CB 4.33Å; W109-M113 HydrophobicContact CH2-CG 3.92Å; W109-M113 HydrophobicContact CH2-SD 3.98Å; W109-M113 HydrophobicContact CZ2-CG 4.26Å; W109-M113 HydrophobicContact CZ2-SD 3.8Å; W109-M113 HydrophobicContact CZ3-CB 4.26Å; W109-M113 HydrophobicContact CZ3-CG 4.24Å; W109-M113 WeakPolarHBondContact O-CB 3.47Å; W109-M113 PolarHBondContact O-N 2.89Å |
| 110 | F | 93.3 | Very high | 92.5 | Very high | 110 Ų | 110 | 81.5 Ų | 81.5 | 48% | 0.482 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 177.8 | -70.3 | -80.2 | 0 | 0 | 0 | 111.9 | L105 T106 G107 G112 M113 L114 | L105-F110 HydrophobicContact CB-CE2 3.85Å; L105-F110 HydrophobicContact CB-CZ 4.21Å; T106-F110 WeakPolarHBondContact O-CD2 3.41Å; G107-F110 PolarHBondContact O-N 3.45Å; F110-G112 PolarHBondContact O-N 2.94Å; F110-M113 PolarHBondContact O-N 3.26Å; F110-L114 WeakPolarHBondContact O-CG 3.41Å; F110-L114 PolarHBondContact O-N 3.45Å |
| 111 | L | 95.3 | Very high | 92.5 | Very high | 120 Ų | 120 | 82.4 Ų | 82.4 | 63% | 0.628 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -61.9 | -44 | 176.1 | -173.9 | 65 | 0 | 0 | 0 | 111.7 | G107 N108 W109 L114 C115 | G107-L111 PolarHBondContact O-N 3.31Å; G107-L111 VanDerWaalsContact O-N 3.12Å; N108-L111 PolarHBondContact O-N 3.36Å; W109-L111 VanDerWaalsContact C-N 3.34Å; W109-L111 PolarHBondContact O-N 3.2Å; L111-L114 PolarHBondContact O-N 3.36Å; L111-C115 WeakPolarHBondContact O-CB 3.45Å; L111-C115 PolarHBondContact O-N 2.8Å |
| 112 | G | 95.6 | Very high | 92.6 | Very high | 34 Ų | 34 | 87 Ų | 87 | 35% | 0.351 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | N108 W109 F110 L114 C115 L116 | N108-G112 PolarHBondContact O-N 3.02Å; W109-G112 PolarHBondContact O-N 2.89Å; F110-G112 PolarHBondContact O-N 2.94Å; G112-L114 VanDerWaalsContact C-N 3.35Å; G112-L114 PolarHBondContact O-N 2.7Å; G112-C115 PolarHBondContact O-N 2.98Å; G112-L116 WeakPolarHBondContact O-CG 3.18Å; G112-L116 PolarHBondContact O-N 3.39Å |
| 113 | M | 94.1 | Very high | 92.7 | Very high | 25 Ų | 25 | 82.8 Ų | 82.8 | 12% | 0.123 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -62.6 | -40.9 | 178.8 | -165.5 | 72.5 | -100 | 0 | 0 | 112.1 | L87 A91 W109 F110 L116 S117 | L87-M113 HydrophobicContact CD1-CE 2.95Å; L87-M113 HydrophobicContact CG-CE 3.49Å; L87-M113 VanDerWaalsContact CG-CE 3.49Å; A91-M113 HydrophobicContact CB-SD 4.47Å; W109-M113 HydrophobicContact CE3-CB 4.42Å; W109-M113 HydrophobicContact CH2-CB 4.33Å; W109-M113 HydrophobicContact CH2-CG 3.92Å; W109-M113 HydrophobicContact CH2-SD 3.98Å; W109-M113 HydrophobicContact CZ2-CG 4.26Å; W109-M113 HydrophobicContact CZ2-SD 3.8Å; W109-M113 HydrophobicContact CZ3-CB 4.26Å; W109-M113 HydrophobicContact CZ3-CG 4.24Å; W109-M113 WeakPolarHBondContact O-CB 3.47Å; W109-M113 PolarHBondContact O-N 2.89Å; F110-M113 PolarHBondContact O-N 3.26Å; M113-L116 HydrophobicContact CE-CB 4.33Å; M113-L116 HydrophobicContact CE-CD1 4.33Å; M113-S117 WeakPolarHBondContact O-CB 3.35Å; M113-S117 PolarHBondContact O-N 2.91Å; M113-S117 PolarHBondContact O-OG 2.87Å |
| 114 | L | 94.9 | Very high | 92.5 | Very high | 108 Ų | 108 | 80.9 Ų | 80.9 | 57% | 0.565 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -64 | -46.5 | 174.4 | -75.1 | 171.6 | 0 | 0 | 0 | 111.5 | F110 L111 G112 L116 S117 I118 | F110-L114 WeakPolarHBondContact O-CG 3.41Å; F110-L114 PolarHBondContact O-N 3.45Å; L111-L114 PolarHBondContact O-N 3.36Å; G112-L114 VanDerWaalsContact C-N 3.35Å; G112-L114 PolarHBondContact O-N 2.7Å; L114-L116 PolarHBondContact O-N 2.94Å; L114-S117 PolarHBondContact O-N 3.19Å; L114-I118 VanDerWaalsContact O-CG1 3.31Å; L114-I118 WeakPolarHBondContact O-CG1 3.3Å; L114-I118 PolarHBondContact O-N 3.5Å |
| 115 | C | 95.4 | Very high | 92.3 | Very high | 89 Ų | 89 | 76.3 Ų | 76.3 | 60% | 0.601 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -59.2 | -46.5 | 178.3 | -171.2 | 0 | 0 | 0 | 0 | 111.8 | L111 G112 S117 I118 G119 | L111-C115 WeakPolarHBondContact O-CB 3.45Å; L111-C115 PolarHBondContact O-N 2.8Å; G112-C115 PolarHBondContact O-N 2.98Å; C115-S117 VanDerWaalsContact C-N 3.35Å; C115-S117 PolarHBondContact O-N 3.43Å; C115-I118 PolarHBondContact O-N 3.17Å; C115-G119 PolarHBondContact O-N 3.46Å |
| 116 | L | 94.2 | Very high | 91.9 | Very high | 82 Ų | 82 | 79.6 Ų | 79.6 | 43% | 0.429 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -59.8 | -44.7 | 175.1 | -73.1 | 173 | 0 | 0 | 0 | 111.9 | L87 F90 G112 M113 L114 I118 G119 I120 | L87-L116 HydrophobicContact CD1-CB 3.54Å; F90-L116 HydrophobicContact CD2-CD1 3.92Å; F90-L116 HydrophobicContact CE2-CD1 4.23Å; G112-L116 WeakPolarHBondContact O-CG 3.18Å; G112-L116 PolarHBondContact O-N 3.39Å; M113-L116 HydrophobicContact CE-CB 4.33Å; M113-L116 HydrophobicContact CE-CD1 4.33Å; L114-L116 PolarHBondContact O-N 2.94Å; L116-I118 PolarHBondContact O-N 2.89Å; L116-G119 PolarHBondContact O-N 3.03Å; L116-I120 VanDerWaalsContact O-CG1 3.31Å; L116-I120 WeakPolarHBondContact O-CG1 3.36Å; L116-I120 PolarHBondContact O-N 3.41Å |
| 117 | S | 94 | Very high | 90.6 | Very high | 36 Ų | 36 | 87.9 Ų | 87.9 | 25% | 0.252 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.7 | -44.3 | -179.7 | -57.9 | 0 | 0 | 0 | 0 | 111.5 | M113 L114 C115 I120 I121 | M113-S117 WeakPolarHBondContact O-CB 3.35Å; M113-S117 PolarHBondContact O-N 2.91Å; M113-S117 PolarHBondContact O-OG 2.87Å; L114-S117 PolarHBondContact O-N 3.19Å; C115-S117 VanDerWaalsContact C-N 3.35Å; C115-S117 PolarHBondContact O-N 3.43Å; S117-I120 PolarHBondContact O-N 3.45Å; S117-I121 WeakPolarHBondContact O-CD1 3.49Å; S117-I121 VanDerWaalsContact O-CG1 3.3Å; S117-I121 WeakPolarHBondContact O-CG1 3.3Å; S117-I121 PolarHBondContact O-N 3.42Å |
| 118 | I | 94.9 | Very high | 90.6 | Very high | 91 Ų | 91 | 89.4 Ų | 89.4 | 47% | 0.467 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.4 | -46.5 | 176.8 | -67.2 | 164.9 | 0 | 0 | 0 | 110.9 | L114 C115 L116 I120 I121 F122 | L114-I118 VanDerWaalsContact O-CG1 3.31Å; L114-I118 WeakPolarHBondContact O-CG1 3.3Å; L114-I118 PolarHBondContact O-N 3.5Å; C115-I118 PolarHBondContact O-N 3.17Å; L116-I118 PolarHBondContact O-N 2.89Å; I118-I120 VanDerWaalsContact C-N 3.28Å; I118-I120 PolarHBondContact O-N 3.45Å; I118-I121 WeakPolarHBondContact O-CB 3.25Å; I118-I121 PolarHBondContact O-N 3.21Å; I118-F122 HydrophobicContact CG2-CD2 3.92Å; I118-F122 HydrophobicContact CG2-CE2 3.53Å; I118-F122 HydrophobicContact CG2-CZ 4.45Å; I118-F122 WeakPolarHBondContact O-CD2 3.35Å; I118-F122 PolarHBondContact O-N 2.85Å; I118-F122 VanDerWaalsContact O-N 3.09Å |
| 119 | G | 94.1 | Very high | 90.4 | Very high | 34 Ų | 34 | 87.1 Ų | 87.1 | 35% | 0.351 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -58.7 | -39.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | C115 L116 F122 L123 | C115-G119 PolarHBondContact O-N 3.46Å; L116-G119 PolarHBondContact O-N 3.03Å; G119-F122 PolarHBondContact O-N 2.94Å; G119-L123 PolarHBondContact O-N 3.37Å; G119-L123 VanDerWaalsContact O-N 3.09Å |
| 120 | I | 92 | Very high | 90.3 | Very high | 19 Ų | 19 | 87.3 Ų | 87.3 | 10% | 0.097 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -69.4 | -39.5 | 177.4 | -67.3 | 174.9 | 0 | 0 | 0 | 111.8 | A83 L87 L116 S117 I118 F122 L123 V124 | A83-I120 VanDerWaalsContact C-CD1 3.42Å; A83-I120 HydrophobicContact CB-CD1 3.79Å; A83-I120 HydrophobicContact CB-CG1 3.62Å; A83-I120 WeakPolarHBondContact O-CD1 3.44Å; L87-I120 HydrophobicContact CB-CD1 3.51Å; L87-I120 HydrophobicContact CD1-CD1 3.7Å; L87-I120 HydrophobicContact CD2-CD1 3.97Å; L87-I120 HydrophobicContact CG-CD1 3.93Å; L116-I120 VanDerWaalsContact O-CG1 3.31Å; L116-I120 WeakPolarHBondContact O-CG1 3.36Å; L116-I120 PolarHBondContact O-N 3.41Å; S117-I120 PolarHBondContact O-N 3.45Å; I118-I120 VanDerWaalsContact C-N 3.28Å; I118-I120 PolarHBondContact O-N 3.45Å; I120-F122 PolarHBondContact O-N 3.41Å; I120-L123 PolarHBondContact O-N 3.24Å; I120-L123 VanDerWaalsContact O-N 3.15Å; I120-V124 HydrophobicContact CG2-CG2 4.09Å; I120-V124 VanDerWaalsContact O-CG2 3.3Å; I120-V124 WeakPolarHBondContact O-CG2 3.26Å; I120-V124 PolarHBondContact O-N 3.32Å |
| 121 | I | 91.1 | Very high | 90.1 | Very high | 101 Ų | 101 | 86 Ų | 86 | 52% | 0.518 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -56.8 | -44.5 | 174.4 | -70.1 | 160.5 | 0 | 0 | 0 | 109.9 | S117 I118 L123 V124 C125 | S117-I121 WeakPolarHBondContact O-CD1 3.49Å; S117-I121 VanDerWaalsContact O-CG1 3.3Å; S117-I121 WeakPolarHBondContact O-CG1 3.3Å; S117-I121 PolarHBondContact O-N 3.42Å; I118-I121 WeakPolarHBondContact O-CB 3.25Å; I118-I121 PolarHBondContact O-N 3.21Å; I121-L123 PolarHBondContact O-N 3.33Å; I121-V124 PolarHBondContact O-N 3.19Å; I121-C125 VanDerWaalsContact O-CB 3.31Å; I121-C125 WeakPolarHBondContact O-CB 3.48Å; I121-C125 PolarHBondContact O-N 2.96Å; I121-C125 PolarHBondContact O-SG 2.98Å; I121-C125 VanDerWaalsContact O-SG 3.37Å |
| 122 | F | 92.3 | Very high | 89.8 | Confident | 146 Ų | 146 | 83.9 Ų | 83.9 | 64% | 0.64 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -60.6 | -45.6 | 175.5 | -74.3 | -54 | 0 | 0 | 0 | 112.7 | I118 G119 I120 V124 C125 E126 | I118-F122 HydrophobicContact CG2-CD2 3.92Å; I118-F122 HydrophobicContact CG2-CE2 3.53Å; I118-F122 HydrophobicContact CG2-CZ 4.45Å; I118-F122 WeakPolarHBondContact O-CD2 3.35Å; I118-F122 PolarHBondContact O-N 2.85Å; I118-F122 VanDerWaalsContact O-N 3.09Å; G119-F122 PolarHBondContact O-N 2.94Å; I120-F122 PolarHBondContact O-N 3.41Å; F122-V124 VanDerWaalsContact C-N 3.33Å; F122-V124 PolarHBondContact O-N 3.21Å; F122-C125 PolarHBondContact O-N 2.81Å; F122-E126 PolarHBondContact O-N 3.07Å |
| 123 | L | 89.2 | Confident | 89.4 | Confident | 54 Ų | 54 | 87.2 Ų | 87.2 | 28% | 0.283 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.6 | -39.6 | 176.7 | -73.4 | 168.4 | 0 | 0 | 0 | 112.8 | K77 V79 A80 A83 G119 I120 I121 | K77-L123 PolarHBondContact NZ-O 3.15Å; V79-L123 HydrophobicContact CG1-CD1 4.19Å; V79-L123 HydrophobicContact CG1-CD2 4.22Å; A80-L123 HydrophobicContact CB-CB 4.21Å; A83-L123 HydrophobicContact CB-CD1 4.27Å; G119-L123 PolarHBondContact O-N 3.37Å; G119-L123 VanDerWaalsContact O-N 3.09Å; I120-L123 PolarHBondContact O-N 3.24Å; I120-L123 VanDerWaalsContact O-N 3.15Å; I121-L123 PolarHBondContact O-N 3.33Å |
| 124 | V | 84.8 | Confident | 89 | Confident | 51 Ų | 51 | 91.6 Ų | 91.6 | 31% | 0.309 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.1 | -40.9 | 178.1 | 172.8 | 0 | 0 | 0 | 0 | 110.5 | Y8 K77 A80 I120 I121 F122 | Y8-V124 HydrophobicContact CE1-CG2 3.86Å; Y8-V124 HydrophobicContact CE2-CG1 4.36Å; K77-V124 PolarHBondContact NZ-O 3.04Å; A80-V124 HydrophobicContact CB-CG2 3.96Å; I120-V124 HydrophobicContact CG2-CG2 4.09Å; I120-V124 VanDerWaalsContact O-CG2 3.3Å; I120-V124 WeakPolarHBondContact O-CG2 3.26Å; I120-V124 PolarHBondContact O-N 3.32Å; I121-V124 PolarHBondContact O-N 3.19Å; F122-V124 VanDerWaalsContact C-N 3.33Å; F122-V124 PolarHBondContact O-N 3.21Å |
| 125 | C | 85.2 | Confident | 88.6 | Confident | 92 Ų | 92 | 90.4 Ų | 90.4 | 62% | 0.622 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -81 | -15.1 | -177.4 | -71.6 | 0 | 0 | 0 | 0 | 115.2 | I121 F122 | I121-C125 VanDerWaalsContact O-CB 3.31Å; I121-C125 WeakPolarHBondContact O-CB 3.48Å; I121-C125 PolarHBondContact O-N 2.96Å; I121-C125 PolarHBondContact O-SG 2.98Å; I121-C125 VanDerWaalsContact O-SG 3.37Å; F122-C125 PolarHBondContact O-N 2.81Å |
| 126 | E | 81.6 | Confident | 88 | Confident | 120 Ų | 120 | 90.5 Ų | 90.5 | 56% | 0.561 | 47% | 0.472 | S | S | * | . | trans | -52.7 | 140.2 | 173.5 | -171 | 173.7 | -158.9 | 0 | 0 | 110.5 | K77 F122 | K77-E126 WeakPolarHBondContact CE-O 3.3Å; K77-E126 PolarHBondContact NZ-O 3.23Å; F122-E126 PolarHBondContact O-N 3.07Å | ||
| 127 | K | 63 | Low | 87.5 | Confident | 260 Ų | 260 | 91.3 Ų | 91.3 | 100% | 1.13 | 48% | 0.475 | S | S | * | . | trans | -88.4 | 0 | -175.7 | -75.8 | -174.7 | 178.8 | 179.1 | 0 | 111.9 |
Retrieved 127 of 127 residues in 230.4 ms
(Link to these results)