| 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 | 61.3 | Low | 83.9 | Confident | 217 Ų | 217 | 81 Ų | 81 | 100% | 1.069 | 40% | 0.404 | S | S | * | . | 0 | 147.3 | 0 | -66.5 | -174.9 | 174.5 | 0 | 0 | 109.3 | |||||
| 2 | P | 69.5 | Low | 84.8 | Confident | 29 Ų | 29 | 79.8 Ų | 79.8 | 19% | 0.188 | 40% | 0.403 | C | S | . | . | trans | -62.7 | 149.9 | 175.5 | 26 | -32.1 | 0 | 0 | 0 | 111 | K6 | P2-K6 HydrophobicContact CB-CB 4.38Š| ||
| 3 | S | 82.6 | Confident | 85.6 | Confident | 62 Ų | 62 | 73.6 Ų | 73.6 | 43% | 0.434 | 37% | 0.372 | S | S | . | . | trans | -64.7 | 153.7 | 174.5 | 61.2 | 0 | 0 | 0 | 0 | 110.9 | W5 K6 R7 | S3-W5 PolarHBondContact O-N 3.46Å; S3-K6 PolarHBondContact O-N 2.86Å; S3-K6 WeakPolarHBondContact OG-CG 3.48Å; S3-R7 PolarHBondContact O-N 2.99Å | ||
| 4 | L | 85.2 | Confident | 86.3 | Confident | 134 Ų | 134 | 69.3 Ų | 69.3 | 70% | 0.702 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -51.9 | -43.3 | 178.7 | -177.2 | 64.5 | 0 | 0 | 0 | 111.8 | K6 R7 I8 | L4-K6 PolarHBondContact O-N 2.93Å; L4-R7 WeakPolarHBondContact O-CB 3.06Å; L4-R7 PolarHBondContact O-N 3.09Å; L4-I8 HydrophobicContact CD1-CD1 4.31Å; L4-I8 HydrophobicContact CG-CD1 3.97Å; L4-I8 WeakPolarHBondContact O-CG1 3.39Å; L4-I8 PolarHBondContact O-N 2.96Å |
| 5 | W | 86.1 | Confident | 87 | Confident | 71 Ų | 71 | 69.1 Ų | 69.1 | 27% | 0.269 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.2 | -44.6 | 176.4 | -177 | -119.8 | 0 | 0 | 0 | 113.8 | S3 R7 I8 T9 M208 M211 L213 | S3-W5 PolarHBondContact O-N 3.46Å; W5-R7 VanDerWaalsContact C-N 3.33Å; W5-R7 PolarHBondContact O-N 3.02Å; W5-I8 PolarHBondContact O-N 3.21Å; W5-T9 HydrophobicContact CD2-CG2 4.17Å; W5-T9 HydrophobicContact CH2-CG2 4.49Å; W5-T9 HydrophobicContact CZ2-CG2 3.99Å; W5-T9 WeakPolarHBondContact O-CG2 3.43Å; W5-T9 PolarHBondContact O-N 3.37Å; W5-T9 PolarHBondContact O-OG1 2.97Å; W5-M208 PolarHBondContact NE1-O 2.85Å; W5-M208 VanDerWaalsContact NE1-O 3.13Å; W5-M211 HydrophobicContact CZ2-CE 4.4Å; W5-L213 HydrophobicContact CB-CD1 4.02Å; W5-L213 HydrophobicContact CD2-CD1 3.27Å; W5-L213 HydrophobicContact CD2-CG 3.97Å; W5-L213 HydrophobicContact CE3-CD1 3.31Å; W5-L213 HydrophobicContact CE3-CG 4.41Å; W5-L213 HydrophobicContact CG-CD1 3.6Å; W5-L213 HydrophobicContact CG-CG 4.07Å; W5-L213 HydrophobicContact CH2-CD1 4.32Å; W5-L213 HydrophobicContact CZ2-CD1 4.32Å; W5-L213 HydrophobicContact CZ3-CD1 3.86Å |
| 6 | K | 84.6 | Confident | 87.7 | Confident | 77 Ų | 77 | 67.7 Ų | 67.7 | 34% | 0.335 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.1 | -40.5 | 177.2 | -74.8 | -178.6 | 179.5 | -176.4 | 0 | 111 | P2 S3 L4 T9 F10 | P2-K6 HydrophobicContact CB-CB 4.38Å; S3-K6 PolarHBondContact O-N 2.86Å; S3-K6 WeakPolarHBondContact OG-CG 3.48Å; L4-K6 PolarHBondContact O-N 2.93Å; K6-T9 WeakPolarHBondContact CA-OG1 3.35Å; K6-T9 PolarHBondContact O-OG1 2.75Å; K6-F10 HydrophobicContact CB-CD2 4.41Å; K6-F10 HydrophobicContact CB-CE2 4.36Å; K6-F10 WeakPolarHBondContact O-CD2 3.35Å; K6-F10 PolarHBondContact O-N 2.89Å |
| 7 | R | 87.7 | Confident | 88.2 | Confident | 152 Ų | 152 | 63.7 Ų | 63.7 | 57% | 0.574 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -61.2 | -47.5 | 176.1 | -174.7 | 173.4 | 175.4 | -172.8 | -1.6 | 111.3 | S3 L4 W5 S11 | S3-R7 PolarHBondContact O-N 2.99Å; L4-R7 WeakPolarHBondContact O-CB 3.06Å; L4-R7 PolarHBondContact O-N 3.09Å; W5-R7 VanDerWaalsContact C-N 3.33Å; W5-R7 PolarHBondContact O-N 3.02Å; R7-S11 WeakPolarHBondContact O-CB 3.34Å; R7-S11 PolarHBondContact O-N 2.94Å; R7-S11 PolarHBondContact O-OG 2.86Å; R7-S11 VanDerWaalsContact O-OG 3.06Å |
| 8 | I | 90.4 | Very high | 88.8 | Confident | 80 Ų | 80 | 64.6 Ų | 64.6 | 41% | 0.41 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.5 | -51.3 | 178.1 | -67.4 | 167.4 | 0 | 0 | 0 | 110.8 | L4 W5 F10 S11 V12 | L4-I8 HydrophobicContact CD1-CD1 4.31Å; L4-I8 HydrophobicContact CG-CD1 3.97Å; L4-I8 WeakPolarHBondContact O-CG1 3.39Å; L4-I8 PolarHBondContact O-N 2.96Å; W5-I8 PolarHBondContact O-N 3.21Å; I8-F10 PolarHBondContact O-N 3.45Å; I8-S11 PolarHBondContact O-N 3.26Å; I8-S11 VanDerWaalsContact O-N 3.16Å; I8-V12 HydrophobicContact CG2-CG2 4.42Å; I8-V12 WeakPolarHBondContact O-CG2 3.16Å; I8-V12 PolarHBondContact O-N 3.06Å |
| 9 | T | 91.1 | Very high | 89.3 | Confident | 6 Ų | 6 | 62.4 Ų | 62.4 | 4% | 0.037 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60 | -45 | -178.9 | 46.3 | 0 | 0 | 0 | 0 | 112.4 | W5 K6 S11 V12 A13 V205 S209 | W5-T9 HydrophobicContact CD2-CG2 4.17Å; W5-T9 HydrophobicContact CH2-CG2 4.49Å; W5-T9 HydrophobicContact CZ2-CG2 3.99Å; W5-T9 WeakPolarHBondContact O-CG2 3.43Å; W5-T9 PolarHBondContact O-N 3.37Å; W5-T9 PolarHBondContact O-OG1 2.97Å; K6-T9 WeakPolarHBondContact CA-OG1 3.35Å; K6-T9 PolarHBondContact O-OG1 2.75Å; T9-S11 PolarHBondContact O-N 3.26Å; T9-V12 PolarHBondContact O-N 3.39Å; T9-A13 WeakPolarHBondContact O-CB 3.38Å; T9-A13 PolarHBondContact O-N 2.94Å; T9-V205 WeakPolarHBondContact O-CG1 3.41Å; T9-S209 VanDerWaalsContact OG1-CB 3.23Å; T9-S209 WeakPolarHBondContact OG1-CB 3.42Å |
| 10 | F | 91.6 | Very high | 89.7 | Confident | 6 Ų | 6 | 59.3 Ų | 59.3 | 3% | 0.026 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -69.9 | -29.8 | 176 | -71.5 | -58.5 | 0 | 0 | 0 | 113.6 | K6 I8 S14 N122 A123 L137 V206 | K6-F10 HydrophobicContact CB-CD2 4.41Å; K6-F10 HydrophobicContact CB-CE2 4.36Å; K6-F10 WeakPolarHBondContact O-CD2 3.35Å; K6-F10 PolarHBondContact O-N 2.89Å; I8-F10 PolarHBondContact O-N 3.45Å; F10-S14 WeakPolarHBondContact O-CB 3.48Å; F10-S14 PolarHBondContact O-N 3.5Å; F10-S14 PolarHBondContact O-OG 3.01Å; F10-N122 HydrophobicContact CB-CB 4.46Å; F10-N122 HydrophobicContact CD1-CB 3.9Å; F10-N122 HydrophobicContact CD2-CB 3.82Å; F10-N122 HydrophobicContact CE1-CB 4.07Å; F10-N122 HydrophobicContact CE2-CB 4Å; F10-N122 HydrophobicContact CG-CB 3.8Å; F10-N122 HydrophobicContact CZ-CB 4.13Å; F10-A123 HydrophobicContact CB-CB 3.92Å; F10-L137 HydrophobicContact CD1-CD1 4.03Å; F10-L137 HydrophobicContact CE1-CD1 3.55Å; F10-V206 HydrophobicContact CE1-CG1 4.49Å; F10-V206 HydrophobicContact CE1-CG2 4.36Å |
| 11 | S | 92.6 | Very high | 90.1 | Very high | 57 Ų | 57 | 57.7 Ų | 57.7 | 40% | 0.399 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.2 | -42.6 | 171.6 | -70.7 | 0 | 0 | 0 | 0 | 112 | R7 I8 T9 S14 A15 | R7-S11 WeakPolarHBondContact O-CB 3.34Å; R7-S11 PolarHBondContact O-N 2.94Å; R7-S11 PolarHBondContact O-OG 2.86Å; R7-S11 VanDerWaalsContact O-OG 3.06Å; I8-S11 PolarHBondContact O-N 3.26Å; I8-S11 VanDerWaalsContact O-N 3.16Å; T9-S11 PolarHBondContact O-N 3.26Å; S11-S14 WeakPolarHBondContact O-CB 3.46Å; S11-S14 PolarHBondContact O-N 3.22Å; S11-A15 PolarHBondContact O-N 3.02Å |
| 12 | V | 95 | Very high | 91.9 | Very high | 66 Ų | 66 | 49.6 Ų | 49.6 | 40% | 0.4 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.9 | -45.3 | 173.8 | 173.4 | 0 | 0 | 0 | 0 | 110.7 | I8 T9 S14 A15 L16 V205 | I8-V12 HydrophobicContact CG2-CG2 4.42Å; I8-V12 WeakPolarHBondContact O-CG2 3.16Å; I8-V12 PolarHBondContact O-N 3.06Å; T9-V12 PolarHBondContact O-N 3.39Å; V12-S14 VanDerWaalsContact C-N 3.26Å; V12-S14 PolarHBondContact O-N 2.99Å; V12-A15 PolarHBondContact O-N 3.21Å; V12-A15 VanDerWaalsContact O-N 3.14Å; V12-L16 HydrophobicContact CG1-CD1 4.38Å; V12-L16 WeakPolarHBondContact O-CG 3.4Å; V12-L16 PolarHBondContact O-N 2.93Å; V12-V205 HydrophobicContact CB-CG1 4.15Å; V12-V205 HydrophobicContact CG1-CG1 4.11Å; V12-V205 HydrophobicContact CG1-CG2 4.09Å |
| 13 | A | 94.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.5 | -38.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | T9 L16 C17 C119 V202 V205 V206 | T9-A13 WeakPolarHBondContact O-CB 3.38Å; T9-A13 PolarHBondContact O-N 2.94Å; A13-L16 PolarHBondContact O-N 2.97Å; A13-C17 PolarHBondContact O-N 3.31Å; A13-C17 PolarHBondContact O-SG 3.28Å; A13-C119 HydrophobicContact CB-CB 4.49Å; A13-V202 HydrophobicContact CB-CG1 4.24Å; A13-V205 HydrophobicContact CB-CG1 4.19Å; A13-V206 HydrophobicContact CB-CG2 4.26Å |
| 14 | S | 94.9 | Very high | 94 | Very high | 13 Ų | 13 | 49 Ų | 49 | 9% | 0.091 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.1 | -45.4 | 174.8 | -55.1 | 0 | 0 | 0 | 0 | 111.6 | F10 S11 V12 L16 C17 V18 L116 C119 I120 | F10-S14 WeakPolarHBondContact O-CB 3.48Å; F10-S14 PolarHBondContact O-N 3.5Å; F10-S14 PolarHBondContact O-OG 3.01Å; S11-S14 WeakPolarHBondContact O-CB 3.46Å; S11-S14 PolarHBondContact O-N 3.22Å; V12-S14 VanDerWaalsContact C-N 3.26Å; V12-S14 PolarHBondContact O-N 2.99Å; S14-L16 VanDerWaalsContact C-N 3.32Å; S14-L16 PolarHBondContact O-N 2.85Å; S14-C17 PolarHBondContact O-N 3.38Å; S14-V18 WeakPolarHBondContact O-CG2 3.12Å; S14-V18 PolarHBondContact O-N 3.48Å; S14-L116 VanDerWaalsContact O-CD1 3.29Å; S14-L116 WeakPolarHBondContact O-CD1 3.34Å; S14-C119 WeakPolarHBondContact OG-CB 3.11Å; S14-I120 PolarHBondContact OG-N 2.99Å |
| 15 | A | 97.6 | Very high | 94.6 | Very high | 66 Ų | 66 | 46.2 Ų | 46.2 | 55% | 0.545 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.8 | -39.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | S11 V12 V18 G19 | S11-A15 PolarHBondContact O-N 3.02Å; V12-A15 PolarHBondContact O-N 3.21Å; V12-A15 VanDerWaalsContact O-N 3.14Å; A15-V18 WeakPolarHBondContact O-CB 3.4Å; A15-V18 PolarHBondContact O-N 3.43Å; A15-G19 PolarHBondContact O-N 3.3Å |
| 16 | L | 97.6 | Very high | 95.1 | Very high | 47 Ų | 47 | 45.5 Ų | 45.5 | 25% | 0.246 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.2 | -41.2 | 174.2 | -70.4 | 172.6 | 0 | 0 | 0 | 112.2 | V12 A13 S14 V18 G19 S20 A201 V202 V205 | V12-L16 HydrophobicContact CG1-CD1 4.38Å; V12-L16 WeakPolarHBondContact O-CG 3.4Å; V12-L16 PolarHBondContact O-N 2.93Å; A13-L16 PolarHBondContact O-N 2.97Å; S14-L16 VanDerWaalsContact C-N 3.32Å; S14-L16 PolarHBondContact O-N 2.85Å; L16-V18 VanDerWaalsContact C-N 3.33Å; L16-V18 PolarHBondContact O-N 3.35Å; L16-G19 PolarHBondContact O-N 2.93Å; L16-S20 PolarHBondContact O-N 3.13Å; L16-A201 HydrophobicContact CD1-CB 4.05Å; L16-V202 HydrophobicContact CB-CG2 3.49Å; L16-V202 VanDerWaalsContact CB-CG2 3.49Å; L16-V202 HydrophobicContact CD1-CG2 4.12Å; L16-V202 HydrophobicContact CG-CG2 4.47Å; L16-V205 HydrophobicContact CD1-CG2 3.89Å |
| 17 | C | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64 | -37.1 | 174.1 | -65.4 | 0 | 0 | 0 | 0 | 112.3 | A13 S14 G19 S20 V21 S115 L116 | A13-C17 PolarHBondContact O-N 3.31Å; A13-C17 PolarHBondContact O-SG 3.28Å; S14-C17 PolarHBondContact O-N 3.38Å; C17-G19 VanDerWaalsContact C-N 3.35Å; C17-S20 WeakPolarHBondContact O-CB 3.48Å; C17-S20 PolarHBondContact O-N 2.73Å; C17-V21 WeakPolarHBondContact O-CG2 3.5Å; C17-V21 PolarHBondContact O-N 3.34Å; C17-V21 VanDerWaalsContact O-N 3.1Å; C17-S115 PolarHBondContact SG-OG 2.94Å; C17-L116 HydrophobicContact CB-CB 3.78Å; C17-L116 HydrophobicContact CB-CD1 4.06Å; C17-L116 HydrophobicContact CB-CG 4.47Å |
| 18 | V | 98.1 | Very high | 96.1 | Very high | 80 Ų | 80 | 35.6 Ų | 35.6 | 49% | 0.485 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.9 | -43.5 | 172.2 | 173.5 | 0 | 0 | 0 | 0 | 110.6 | S14 A15 L16 S20 V21 A22 L116 | S14-V18 WeakPolarHBondContact O-CG2 3.12Å; S14-V18 PolarHBondContact O-N 3.48Å; A15-V18 WeakPolarHBondContact O-CB 3.4Å; A15-V18 PolarHBondContact O-N 3.43Å; L16-V18 VanDerWaalsContact C-N 3.33Å; L16-V18 PolarHBondContact O-N 3.35Å; V18-S20 PolarHBondContact O-N 3Å; V18-V21 PolarHBondContact O-N 3.49Å; V18-A22 WeakPolarHBondContact O-CB 3.49Å; V18-A22 PolarHBondContact O-N 2.94Å; V18-L116 HydrophobicContact CG2-CD1 3.75Å; V18-L116 HydrophobicContact CG2-CD2 3.85Å; V18-L116 HydrophobicContact CG2-CG 4.47Å |
| 19 | G | 98.1 | Very high | 96.4 | Very high | 23 Ų | 23 | 35.6 Ų | 35.6 | 24% | 0.237 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.9 | -44.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A15 L16 C17 A22 F23 | A15-G19 PolarHBondContact O-N 3.3Å; L16-G19 PolarHBondContact O-N 2.93Å; C17-G19 VanDerWaalsContact C-N 3.35Å; G19-A22 PolarHBondContact O-N 3.22Å; G19-F23 WeakPolarHBondContact O-CB 3.5Å; G19-F23 VanDerWaalsContact O-CG 3.3Å; G19-F23 WeakPolarHBondContact O-CG 3.48Å; G19-F23 PolarHBondContact O-N 3.36Å |
| 20 | S | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -55.5 | -51.7 | 173.7 | 174.3 | 0 | 0 | 0 | 0 | 112.2 | L16 C17 V18 A22 F23 L24 S195 T198 H199 | L16-S20 PolarHBondContact O-N 3.13Å; C17-S20 WeakPolarHBondContact O-CB 3.48Å; C17-S20 PolarHBondContact O-N 2.73Å; V18-S20 PolarHBondContact O-N 3Å; S20-A22 VanDerWaalsContact C-N 3.32Å; S20-A22 PolarHBondContact O-N 2.92Å; S20-F23 PolarHBondContact O-N 2.89Å; S20-L24 WeakPolarHBondContact O-CG 3.23Å; S20-L24 PolarHBondContact O-N 3.49Å; S20-S195 PolarHBondContact O-OG 3.08Å; S20-S195 PolarHBondContact OG-OG 3.14Å; S20-T198 VanDerWaalsContact CB-OG1 3.23Å; S20-T198 WeakPolarHBondContact CB-OG1 3.47Å; S20-H199 PolarHBondContact OG-CE1 3.26Å; S20-H199 PolarHBondContact OG-NE2 3Å; S20-H199 VanDerWaalsContact OG-NE2 3.14Å |
| 21 | V | 98.3 | Very high | 96.8 | Very high | 25 Ų | 25 | 38.9 Ų | 38.9 | 15% | 0.152 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.7 | -44.5 | 179.2 | 172.3 | 0 | 0 | 0 | 0 | 110.5 | C17 V18 L24 V25 V109 A112 L113 | C17-V21 WeakPolarHBondContact O-CG2 3.5Å; C17-V21 PolarHBondContact O-N 3.34Å; C17-V21 VanDerWaalsContact O-N 3.1Å; V18-V21 PolarHBondContact O-N 3.49Å; V21-L24 PolarHBondContact O-N 3.16Å; V21-V25 HydrophobicContact CG1-CG2 4.2Å; V21-V25 WeakPolarHBondContact O-CB 3.46Å; V21-V25 VanDerWaalsContact O-CG2 3.25Å; V21-V25 WeakPolarHBondContact O-CG2 3.11Å; V21-V25 PolarHBondContact O-N 3.33Å; V21-V109 HydrophobicContact CG1-CG1 4.36Å; V21-A112 HydrophobicContact CG2-CB 3.73Å; V21-L113 HydrophobicContact CG1-CD2 4.32Å; V21-L113 HydrophobicContact CG2-CD2 3.93Å; V21-L113 HydrophobicContact CG2-CG 4.1Å |
| 22 | A | 98.4 | Very high | 97 | Very high | 47 Ų | 47 | 42 Ų | 42 | 39% | 0.388 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -60.9 | -46.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V18 G19 S20 L24 V25 V26 | V18-A22 WeakPolarHBondContact O-CB 3.49Å; V18-A22 PolarHBondContact O-N 2.94Å; G19-A22 PolarHBondContact O-N 3.22Å; S20-A22 VanDerWaalsContact C-N 3.32Å; S20-A22 PolarHBondContact O-N 2.92Å; A22-L24 PolarHBondContact O-N 2.92Å; A22-V25 PolarHBondContact O-N 2.99Å; A22-V26 WeakPolarHBondContact O-CB 3.29Å; A22-V26 VanDerWaalsContact O-CG2 3.23Å; A22-V26 WeakPolarHBondContact O-CG2 3.43Å; A22-V26 PolarHBondContact O-N 3.42Å |
| 23 | F | 98.3 | Very high | 97.1 | Very high | 79 Ų | 79 | 38.8 Ų | 38.8 | 35% | 0.346 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.6 | -46 | 176.7 | -71.6 | -13.9 | 0 | 0 | 0 | 112.4 | G19 S20 A27 L191 T198 | G19-F23 WeakPolarHBondContact O-CB 3.5Å; G19-F23 VanDerWaalsContact O-CG 3.3Å; G19-F23 WeakPolarHBondContact O-CG 3.48Å; G19-F23 PolarHBondContact O-N 3.36Å; S20-F23 PolarHBondContact O-N 2.89Å; F23-A27 WeakPolarHBondContact O-CB 3.36Å; F23-A27 PolarHBondContact O-N 3.21Å; F23-L191 HydrophobicContact CB-CB 4.31Å; F23-L191 HydrophobicContact CD1-CD2 3.74Å; F23-L191 HydrophobicContact CE1-CD2 4.05Å; F23-L191 HydrophobicContact CG-CD2 4.17Å; F23-T198 HydrophobicContact CD2-CG2 4.19Å; F23-T198 HydrophobicContact CE2-CG2 3.99Å |
| 24 | L | 97.9 | Very high | 97.3 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.9 | -42.7 | 178.8 | -70.1 | 173.8 | 0 | 0 | 0 | 112.4 | S20 V21 A22 A27 L28 L105 A108 V109 S195 | S20-L24 WeakPolarHBondContact O-CG 3.23Å; S20-L24 PolarHBondContact O-N 3.49Å; V21-L24 PolarHBondContact O-N 3.16Å; A22-L24 PolarHBondContact O-N 2.92Å; L24-A27 PolarHBondContact O-N 2.97Å; L24-L28 WeakPolarHBondContact O-CB 3.48Å; L24-L28 VanDerWaalsContact O-CG 3.23Å; L24-L28 WeakPolarHBondContact O-CG 3.5Å; L24-L28 PolarHBondContact O-N 3.07Å; L24-L105 HydrophobicContact CD2-CD2 4Å; L24-A108 HydrophobicContact CD1-CB 3.82Å; L24-V109 HydrophobicContact CB-CG2 3.53Å; L24-V109 HydrophobicContact CD1-CG2 3.68Å; L24-V109 HydrophobicContact CG-CG2 4.24Å; L24-S195 WeakPolarHBondContact CD1-OG 3.46Å; L24-S195 VanDerWaalsContact CG-OG 3.31Å; L24-S195 WeakPolarHBondContact CG-OG 3.4Å |
| 25 | V | 97.8 | Very high | 97.4 | Very high | 75 Ų | 75 | 39.9 Ų | 39.9 | 46% | 0.455 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.7 | -42.8 | 178.9 | 170.2 | 0 | 0 | 0 | 0 | 111.1 | V21 A22 L28 S29 | V21-V25 HydrophobicContact CG1-CG2 4.2Å; V21-V25 WeakPolarHBondContact O-CB 3.46Å; V21-V25 VanDerWaalsContact O-CG2 3.25Å; V21-V25 WeakPolarHBondContact O-CG2 3.11Å; V21-V25 PolarHBondContact O-N 3.33Å; A22-V25 PolarHBondContact O-N 2.99Å; V25-L28 PolarHBondContact O-N 3.06Å; V25-S29 WeakPolarHBondContact O-CB 3.4Å; V25-S29 PolarHBondContact O-N 3.06Å; V25-S29 PolarHBondContact O-OG 2.84Å |
| 26 | V | 97.9 | Very high | 97.4 | Very high | 56 Ų | 56 | 37.3 Ų | 37.3 | 34% | 0.339 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.7 | -50.4 | 174.4 | 174.7 | 0 | 0 | 0 | 0 | 109.4 | A22 L28 S29 T30 W187 L191 | A22-V26 WeakPolarHBondContact O-CB 3.29Å; A22-V26 VanDerWaalsContact O-CG2 3.23Å; A22-V26 WeakPolarHBondContact O-CG2 3.43Å; A22-V26 PolarHBondContact O-N 3.42Å; V26-L28 VanDerWaalsContact C-N 3.29Å; V26-L28 PolarHBondContact O-N 3.42Å; V26-S29 WeakPolarHBondContact CA-OG 3.44Å; V26-S29 PolarHBondContact O-N 3.26Å; V26-S29 PolarHBondContact O-OG 2.91Å; V26-T30 HydrophobicContact CG1-CG2 4.04Å; V26-T30 WeakPolarHBondContact O-CG2 3.29Å; V26-T30 PolarHBondContact O-N 3.31Å; V26-T30 PolarHBondContact O-OG1 3.48Å; V26-W187 HydrophobicContact CG1-CH2 3.9Å; V26-W187 HydrophobicContact CG1-CZ3 3.62Å; V26-L191 HydrophobicContact CB-CD1 3.94Å; V26-L191 HydrophobicContact CG1-CD1 3.5Å; V26-L191 VanDerWaalsContact CG1-CD1 3.5Å |
| 27 | A | 97.2 | Very high | 97.3 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.008 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -54.8 | -43.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F23 L24 S29 W33 S188 L191 | F23-A27 WeakPolarHBondContact O-CB 3.36Å; F23-A27 PolarHBondContact O-N 3.21Å; L24-A27 PolarHBondContact O-N 2.97Å; A27-S29 VanDerWaalsContact C-N 3.31Å; A27-S29 PolarHBondContact O-N 3.06Å; A27-W33 HydrophobicContact CB-CZ2 3.83Å; A27-W33 PolarHBondContact O-NE1 3.23Å; A27-S188 VanDerWaalsContact CB-O 3.3Å; A27-S188 WeakPolarHBondContact CB-O 3.49Å; A27-L191 HydrophobicContact CB-CB 4.09Å |
| 28 | L | 96.5 | Very high | 97.3 | Very high | 20 Ų | 20 | 40.5 Ų | 40.5 | 11% | 0.105 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.1 | -32.9 | 178.2 | -75.5 | 169.2 | 0 | 0 | 0 | 113.3 | L24 V25 V26 L65 F66 L105 L106 | L24-L28 WeakPolarHBondContact O-CB 3.48Å; L24-L28 VanDerWaalsContact O-CG 3.23Å; L24-L28 WeakPolarHBondContact O-CG 3.5Å; L24-L28 PolarHBondContact O-N 3.07Å; V25-L28 PolarHBondContact O-N 3.06Å; V26-L28 VanDerWaalsContact C-N 3.29Å; V26-L28 PolarHBondContact O-N 3.42Å; L28-L65 HydrophobicContact CD2-CD1 3.65Å; L28-F66 WeakPolarHBondContact O-CD2 3.43Å; L28-F66 WeakPolarHBondContact O-CE2 3.41Å; L28-L105 HydrophobicContact CD2-CB 3.95Å; L28-L105 HydrophobicContact CD2-CD1 3.85Å; L28-L105 HydrophobicContact CG-CB 4.49Å; L28-L106 HydrophobicContact CD1-CD2 3.83Å |
| 29 | S | 94.9 | Very high | 97.2 | Very high | 79 Ų | 79 | 37.5 Ų | 37.5 | 55% | 0.552 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -90.2 | -16.4 | -173.8 | 56.3 | 0 | 0 | 0 | 0 | 114.1 | V25 V26 A27 | V25-S29 WeakPolarHBondContact O-CB 3.4Å; V25-S29 PolarHBondContact O-N 3.06Å; V25-S29 PolarHBondContact O-OG 2.84Å; V26-S29 WeakPolarHBondContact CA-OG 3.44Å; V26-S29 PolarHBondContact O-N 3.26Å; V26-S29 PolarHBondContact O-OG 2.91Å; A27-S29 VanDerWaalsContact C-N 3.31Å; A27-S29 PolarHBondContact O-N 3.06Å |
| 30 | T | 96.4 | Very high | 97 | Very high | 31 Ų | 31 | 36.5 Ų | 36.5 | 19% | 0.19 | 20% | 0.195 | C | C | . | . | trans | -98.9 | 156.4 | -174.9 | 56.3 | 0 | 0 | 0 | 0 | 114.6 | V26 W187 S188 | V26-T30 HydrophobicContact CG1-CG2 4.04Å; V26-T30 WeakPolarHBondContact O-CG2 3.29Å; V26-T30 PolarHBondContact O-N 3.31Å; V26-T30 PolarHBondContact O-OG1 3.48Å; T30-W187 HydrophobicContact CG2-CH2 3.55Å; T30-W187 HydrophobicContact CG2-CZ2 3.96Å; T30-W187 HydrophobicContact CG2-CZ3 4.49Å; T30-S188 VanDerWaalsContact OG1-CB 3.26Å; T30-S188 WeakPolarHBondContact OG1-CB 3.38Å; T30-S188 PolarHBondContact OG1-OG 3.48Å | ||
| 31 | E | 96.1 | Very high | 96.9 | Very high | 51 Ų | 51 | 40.3 Ų | 40.3 | 24% | 0.238 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -98 | 12.3 | -168.9 | -51 | -177.2 | -175.3 | 0 | 0 | 113.3 | Y62 Y63 G64 Q67 | E31-Y62 HydrophobicContact CB-CD2 4.25Å; E31-Y62 HydrophobicContact CB-CE2 4.2Å; E31-Y62 WeakPolarHBondContact OE2-CE2 3.28Å; E31-Y63 VanDerWaalsContact C-C 3.44Å; E31-Y63 CarbonylContact O-C 3.55Å; E31-Y63 WeakPolarHBondContact O-CA 3.42Å; E31-Y63 PolarHBondContact O-N 3.25Å; E31-G64 VanDerWaalsContact C-N 3.3Å; E31-G64 PolarHBondContact O-N 2.92Å; E31-G64 VanDerWaalsContact O-N 3.09Å; E31-Q67 HydrophobicContact CG-CG 3.66Å; E31-Q67 VanDerWaalsContact OE1-CD 3.28Å; E31-Q67 WeakPolarHBondContact OE1-CG 3.49Å; E31-Q67 PolarHBondContact OE1-NE2 2.99Å |
| 32 | R | 96.4 | Very high | 96.6 | Very high | 121 Ų | 121 | 40.9 Ų | 40.9 | 46% | 0.457 | 22% | 0.215 | S | C | . | . | trans | -126.4 | 61.2 | -169.5 | -68.8 | -163 | -177.7 | -146.8 | 4.1 | 111.7 | Y62 D186 S188 | R32-Y62 HydrophobicContact CG-CD2 4.31Å; R32-D186 HydrophobicContact CB-CB 4.44Å; R32-D186 WeakPolarHBondContact CD-OD2 3.46Å; R32-D186 CarbonylContact O-C 3.59Å; R32-D186 WeakPolarHBondContact O-CB 3.44Å; R32-S188 VanDerWaalsContact C-OG 3.3Å; R32-S188 WeakPolarHBondContact O-CB 2.97Å; R32-S188 PolarHBondContact O-N 3.06Å; R32-S188 VanDerWaalsContact O-N 3.08Å; R32-S188 PolarHBondContact O-OG 3.39Å | ||
| 33 | W | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -84.6 | -38.8 | 167.8 | -80 | 61.4 | 0 | 0 | 0 | 111.1 | A27 Y63 L65 L105 F155 L185 D186 S188 F189 | A27-W33 HydrophobicContact CB-CZ2 3.83Å; A27-W33 PolarHBondContact O-NE1 3.23Å; W33-Y63 WeakPolarHBondContact CB-O 3.35Å; W33-Y63 PolarHBondContact N-O 3.13Å; W33-L65 HydrophobicContact CD2-CD2 4.44Å; W33-L65 HydrophobicContact CD2-CG 4.24Å; W33-L65 HydrophobicContact CE3-CD2 4.48Å; W33-L65 HydrophobicContact CH2-CD1 4.16Å; W33-L65 HydrophobicContact CZ2-CD1 3.61Å; W33-L65 HydrophobicContact CZ2-CG 4.09Å; W33-L105 HydrophobicContact CH2-CD1 3.63Å; W33-L105 HydrophobicContact CZ2-CD1 3.96Å; W33-F155 HydrophobicContact CB-CE1 4.01Å; W33-F155 HydrophobicContact CB-CZ 3.74Å; W33-F155 HydrophobicContact CD2-CE1 4.42Å; W33-F155 HydrophobicContact CD2-CZ 4.38Å; W33-F155 AromaticContact CE3-CD1 3.55Å; W33-F155 HydrophobicContact CE3-CD1 3.55Å; W33-F155 HydrophobicContact CE3-CD2 4.05Å; W33-F155 AromaticContact CE3-CE1 3.63Å; W33-F155 HydrophobicContact CE3-CE1 3.63Å; W33-F155 HydrophobicContact CE3-CE2 4.12Å; W33-F155 AromaticContact CE3-CG 3.75Å; W33-F155 HydrophobicContact CE3-CG 3.75Å; W33-F155 AromaticContact CE3-CZ 3.92Å; W33-F155 HydrophobicContact CE3-CZ 3.92Å; W33-F155 HydrophobicContact CG-CZ 4.35Å; W33-F155 HydrophobicContact CZ3-CB 4.16Å; W33-F155 AromaticContact CZ3-CD1 3.98Å; W33-F155 HydrophobicContact CZ3-CD1 3.98Å; W33-F155 HydrophobicContact CZ3-CD2 4.37Å; W33-F155 AromaticContact CZ3-CG 3.9Å; W33-F155 HydrophobicContact CZ3-CG 3.9Å; W33-L185 WeakPolarHBondContact O-CA 3.32Å; W33-D186 PolarHBondContact O-N 2.7Å; W33-S188 VanDerWaalsContact CD1-CB 3.44Å; W33-F189 HydrophobicContact CD2-CB 4.38Å; W33-F189 HydrophobicContact CE3-CB 4.02Å; W33-F189 AromaticContact CE3-CD2 3.77Å; W33-F189 HydrophobicContact CE3-CD2 3.77Å; W33-F189 HydrophobicContact CE3-CG 4.39Å; W33-F189 AromaticContact CZ3-CD2 3.86Å; W33-F189 HydrophobicContact CZ3-CD2 3.86Å |
| 34 | V | 97.9 | Very high | 95.9 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 139.6 | 177.3 | 178 | 0 | 0 | 0 | 0 | 108.7 | Y62 Y63 F155 V159 D183 S184 L185 | V34-Y62 VanDerWaalsContact O-CA 3.24Å; V34-Y62 WeakPolarHBondContact O-CA 3.31Å; V34-Y63 HydrophobicContact CB-CD1 4.28Å; V34-Y63 HydrophobicContact CB-CE1 3.71Å; V34-Y63 HydrophobicContact CB-CE2 4.17Å; V34-Y63 HydrophobicContact CG1-CE1 3.78Å; V34-Y63 HydrophobicContact CG2-CE1 4.4Å; V34-Y63 HydrophobicContact CG2-CE2 4.13Å; V34-Y63 PolarHBondContact N-O 2.99Å; V34-Y63 VanDerWaalsContact N-O 3.13Å; V34-Y63 PolarHBondContact O-N 2.93Å; V34-F155 HydrophobicContact CG2-CE1 3.73Å; V34-F155 HydrophobicContact CG2-CZ 3.8Å; V34-V159 HydrophobicContact CG2-CG2 3.9Å; V34-D183 HydrophobicContact CG1-CB 4.18Å; V34-S184 WeakPolarHBondContact CA-O 3.42Å; V34-L185 HydrophobicContact CG2-CD2 4.21Å |
| 35 | V | 97.8 | Very high | 95.6 | Very high | 35 Ų | 35 | 40.9 Ų | 40.9 | 21% | 0.212 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 150.3 | 165.8 | -64 | 0 | 0 | 0 | 0 | 108.7 | I61 D183 S184 D186 | V35-I61 CarbonylContact C-O 3.5Å; V35-I61 WeakPolarHBondContact CA-O 3.43Å; V35-D183 WeakPolarHBondContact O-CA 3.33Å; V35-S184 WeakPolarHBondContact CG2-OG 3.3Å; V35-S184 PolarHBondContact N-O 3.41Å; V35-S184 PolarHBondContact O-N 2.83Å; V35-D186 HydrophobicContact CG1-CB 3.92Å; V35-D186 VanDerWaalsContact CG1-OD2 3.28Å; V35-D186 WeakPolarHBondContact CG1-OD2 3.01Å; V35-D186 HydrophobicContact CG2-CB 4.12Å |
| 36 | G | 96.6 | Very high | 95.3 | Very high | 11 Ų | 11 | 43.5 Ų | 43.5 | 11% | 0.113 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.4 | 170.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | D60 I61 D182 | G36-D60 WeakPolarHBondContact O-CA 3.3Å; G36-I61 PolarHBondContact N-O 3.07Å; G36-I61 WeakPolarHBondContact O-CG2 3.42Å; G36-I61 PolarHBondContact O-N 3.39Å; G36-D182 CarbonylContact C-O 3.58Å; G36-D182 WeakPolarHBondContact CA-O 3.37Å |
| 37 | R | 96.9 | Very high | 95 | Very high | 114 Ų | 114 | 44.8 Ų | 44.8 | 43% | 0.43 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 140.8 | 172.6 | -55.2 | 177.1 | -73 | 166 | -5.8 | 110.6 | I58 G59 L181 D182 | R37-I58 HydrophobicContact CB-CG2 3.99Å; R37-I58 HydrophobicContact CG-CG2 4.49Å; R37-G59 CarbonylContact C-O 3.53Å; R37-G59 VanDerWaalsContact CA-O 3.28Å; R37-G59 WeakPolarHBondContact CA-O 3.23Å; R37-L181 PolarHBondContact O-N 3.42Å; R37-D182 WeakPolarHBondContact CB-OD1 3.37Å; R37-D182 VanDerWaalsContact CG-OD1 3.32Å; R37-D182 WeakPolarHBondContact CG-OD1 3.5Å; R37-D182 IonicContact CZ-OD1 3.63Å; R37-D182 IonicContact CZ-OD2 3.32Å; R37-D182 PolarHBondContact N-O 2.78Å; R37-D182 PolarHBondContact N-OD1 3.1Å; R37-D182 VanDerWaalsContact NE-CG 3.31Å; R37-D182 IonicContact NE-OD1 2.85Å; R37-D182 PolarHBondContact NE-OD1 2.96Å; R37-D182 IonicContact NE-OD2 3.01Å; R37-D182 PolarHBondContact NE-OD2 3.29Å; R37-D182 IonicContact NH2-OD1 3.6Å; R37-D182 IonicContact NH2-OD2 2.78Å; R37-D182 PolarHBondContact NH2-OD2 3.39Å |
| 38 | I | 96.2 | Very high | 94.7 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 125.5 | -177.9 | 49.3 | 166.8 | 0 | 0 | 0 | 109.7 | I58 G59 I61 K70 K72 A169 L178 E179 V180 | I38-I58 WeakPolarHBondContact O-CA 3.5Å; I38-G59 PolarHBondContact N-O 3.48Å; I38-G59 PolarHBondContact O-N 3.47Å; I38-I61 HydrophobicContact CD1-CB 4.49Å; I38-I61 HydrophobicContact CG2-CB 4.09Å; I38-I61 HydrophobicContact CG2-CG2 3.69Å; I38-K70 HydrophobicContact CD1-CB 4.2Å; I38-K72 HydrophobicContact CD1-CG 4.39Å; I38-A169 HydrophobicContact CG2-CB 4.12Å; I38-L178 HydrophobicContact CD1-CD1 4.15Å; I38-E179 CarbonylContact C-O 3.5Å; I38-E179 WeakPolarHBondContact CA-O 3.36Å; I38-V180 HydrophobicContact CG2-CG2 4.31Å |
| 39 | L | 95.6 | Very high | 94.4 | Very high | 16 Ų | 16 | 51.1 Ų | 51.1 | 8% | 0.084 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 129.7 | 173.1 | -176.5 | 67 | 0 | 0 | 0 | 109.9 | K41 V44 L54 F57 I58 L178 E179 L181 | L39-K41 VanDerWaalsContact C-N 3.33Å; L39-K41 PolarHBondContact O-N 3.17Å; L39-V44 HydrophobicContact CD1-CG2 3.86Å; L39-V44 HydrophobicContact CD2-CG2 4.39Å; L39-V44 HydrophobicContact CG-CG2 4.17Å; L39-L54 HydrophobicContact CD1-CD1 3.7Å; L39-L54 HydrophobicContact CD1-CD2 4.44Å; L39-L54 HydrophobicContact CD1-CG 3.81Å; L39-L54 HydrophobicContact CD2-CD1 4.2Å; L39-F57 HydrophobicContact CD1-CB 3.9Å; L39-I58 HydrophobicContact CD1-CG1 3.77Å; L39-L178 CarbonylContact O-C 3.58Å; L39-L178 WeakPolarHBondContact O-CA 3.45Å; L39-E179 HydrophobicContact CB-CB 4.48Å; L39-E179 PolarHBondContact N-O 2.85Å; L39-E179 PolarHBondContact O-N 3.37Å; L39-L181 HydrophobicContact CB-CD1 3.99Å; L39-L181 HydrophobicContact CB-CD2 4.01Å; L39-L181 HydrophobicContact CB-CG 3.84Å; L39-L181 HydrophobicContact CD2-CD2 4.25Å |
| 40 | C | 95.3 | Very high | 94.2 | Very high | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.014 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 81.7 | 171.4 | -164.7 | 0 | 0 | 0 | 0 | 111.1 | T42 G43 V44 F57 C74 F176 L178 | C40-T42 PolarHBondContact O-N 2.87Å; C40-G43 PolarHBondContact O-N 3.18Å; C40-V44 WeakPolarHBondContact O-CG2 3.27Å; C40-V44 PolarHBondContact O-N 3.2Å; C40-V44 VanDerWaalsContact O-N 3.1Å; C40-F57 HydrophobicContact CB-CB 4.46Å; C40-F57 WeakPolarHBondContact CB-O 3.15Å; C40-F57 PolarHBondContact N-O 2.86Å; C40-F57 VanDerWaalsContact N-O 3.07Å; C40-C74 HydrophobicContact CB-CB 3.73Å; C40-C74 WeakPolarHBondContact CB-SG 3.44Å; C40-C74 WeakPolarHBondContact SG-CB 3.37Å; C40-C74 CovalentContact SG-SG 2.04Å; C40-C74 PolarHBondContact SG-SG 3.38Å; C40-F176 VanDerWaalsContact SG-CD1 3.55Å; C40-L178 HydrophobicContact CB-CD2 4.2Å |
| 41 | K | 94 | Very high | 93.6 | Very high | 81 Ų | 81 | 54.6 Ų | 54.6 | 35% | 0.352 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -56.1 | -47.6 | -173.8 | -173.1 | 178.6 | -160.1 | 138.2 | 0 | 112.7 | L39 G43 V44 D45 V177 E179 | L39-K41 VanDerWaalsContact C-N 3.33Å; L39-K41 PolarHBondContact O-N 3.17Å; K41-G43 PolarHBondContact O-N 3.11Å; K41-V44 WeakPolarHBondContact O-CB 3.39Å; K41-V44 PolarHBondContact O-N 2.92Å; K41-V44 VanDerWaalsContact O-N 3.08Å; K41-D45 WeakPolarHBondContact CG-OD2 3.25Å; K41-D45 VanDerWaalsContact O-CG 3.27Å; K41-D45 PolarHBondContact O-N 2.91Å; K41-V177 PolarHBondContact N-O 3.3Å; K41-E179 HydrophobicContact CB-CB 4.46Å; K41-E179 WeakPolarHBondContact CD-OE2 3.14Å; K41-E179 IonicContact NZ-OE2 2.79Å; K41-E179 PolarHBondContact NZ-OE2 3.17Å |
| 42 | T | 91.8 | Very high | 93.1 | Very high | 36 Ų | 36 | 57.4 Ų | 57.4 | 22% | 0.221 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -56.4 | -39 | 176.6 | -52.4 | 0 | 0 | 0 | 0 | 112.4 | C40 I46 V177 | C40-T42 PolarHBondContact O-N 2.87Å; T42-I46 HydrophobicContact CG2-CD1 3.93Å; T42-I46 VanDerWaalsContact O-CD1 3.3Å; T42-I46 WeakPolarHBondContact O-CD1 3.23Å; T42-I46 WeakPolarHBondContact O-CG1 3.37Å; T42-I46 PolarHBondContact O-N 2.76Å; T42-V177 PolarHBondContact OG1-N 2.92Å |
| 43 | G | 89.7 | Confident | 92.7 | Very high | 6 Ų | 6 | 56.5 Ų | 56.5 | 6% | 0.062 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.5 | -44.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | C40 K41 I46 V47 F57 | C40-G43 PolarHBondContact O-N 3.18Å; K41-G43 PolarHBondContact O-N 3.11Å; G43-I46 PolarHBondContact O-N 3.37Å; G43-V47 WeakPolarHBondContact O-CG2 3.45Å; G43-V47 PolarHBondContact O-N 3.43Å; G43-F57 VanDerWaalsContact C-CE1 3.46Å |
| 44 | V | 92.8 | Very high | 92.4 | Very high | 17 Ų | 17 | 58.6 Ų | 58.6 | 10% | 0.103 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.8 | -47.6 | 177.1 | 174.4 | 0 | 0 | 0 | 0 | 111.1 | L39 C40 K41 I46 V47 N48 A49 L54 F57 | L39-V44 HydrophobicContact CD1-CG2 3.86Å; L39-V44 HydrophobicContact CD2-CG2 4.39Å; L39-V44 HydrophobicContact CG-CG2 4.17Å; C40-V44 WeakPolarHBondContact O-CG2 3.27Å; C40-V44 PolarHBondContact O-N 3.2Å; C40-V44 VanDerWaalsContact O-N 3.1Å; K41-V44 WeakPolarHBondContact O-CB 3.39Å; K41-V44 PolarHBondContact O-N 2.92Å; K41-V44 VanDerWaalsContact O-N 3.08Å; V44-I46 VanDerWaalsContact C-N 3.33Å; V44-I46 PolarHBondContact O-N 3.21Å; V44-V47 PolarHBondContact O-N 3.43Å; V44-N48 WeakPolarHBondContact O-CA 3.41Å; V44-N48 PolarHBondContact O-N 3.27Å; V44-A49 HydrophobicContact CG1-CB 4.24Å; V44-A49 PolarHBondContact O-N 3.06Å; V44-A49 VanDerWaalsContact O-N 3.07Å; V44-L54 HydrophobicContact CB-CD1 4.41Å; V44-L54 HydrophobicContact CG1-CD1 3.89Å; V44-L54 HydrophobicContact CG2-CD1 3.56Å; V44-F57 HydrophobicContact CG2-CB 3.59Å; V44-F57 HydrophobicContact CG2-CD1 4Å; V44-F57 HydrophobicContact CG2-CD2 4.1Å; V44-F57 HydrophobicContact CG2-CG 3.61Å |
| 45 | D | 92.4 | Very high | 92.1 | Very high | 105 Ų | 105 | 63.6 Ų | 63.6 | 56% | 0.561 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -66 | -35.2 | -176.5 | -64.8 | -19.1 | 0 | 0 | 0 | 112 | K41 | K41-D45 WeakPolarHBondContact CG-OD2 3.25Å; K41-D45 VanDerWaalsContact O-CG 3.27Å; K41-D45 PolarHBondContact O-N 2.91Å |
| 46 | I | 91.4 | Very high | 91.8 | Very high | 129 Ų | 129 | 67.4 Ų | 67.4 | 66% | 0.662 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -65 | -41.4 | 179.1 | -73.2 | 165.2 | 0 | 0 | 0 | 111.8 | T42 G43 V44 | T42-I46 HydrophobicContact CG2-CD1 3.93Å; T42-I46 VanDerWaalsContact O-CD1 3.3Å; T42-I46 WeakPolarHBondContact O-CD1 3.23Å; T42-I46 WeakPolarHBondContact O-CG1 3.37Å; T42-I46 PolarHBondContact O-N 2.76Å; G43-I46 PolarHBondContact O-N 3.37Å; V44-I46 VanDerWaalsContact C-N 3.33Å; V44-I46 PolarHBondContact O-N 3.21Å |
| 47 | V | 91 | Very high | 91.7 | Very high | 83 Ų | 83 | 67.5 Ų | 67.5 | 50% | 0.503 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -97.5 | -1.2 | -177.7 | -59.7 | 0 | 0 | 0 | 0 | 113.1 | G43 V44 A49 F57 | G43-V47 WeakPolarHBondContact O-CG2 3.45Å; G43-V47 PolarHBondContact O-N 3.43Å; V44-V47 PolarHBondContact O-N 3.43Å; V47-A49 HydrophobicContact CG2-CB 3.65Å; V47-A49 PolarHBondContact O-N 3.31Å; V47-F57 HydrophobicContact CG2-CE1 4.14Å; V47-F57 HydrophobicContact CG2-CE2 4.1Å; V47-F57 HydrophobicContact CG2-CZ 3.46Å; V47-F57 VanDerWaalsContact CG2-CZ 3.46Å |
| 48 | N | 91.8 | Very high | 91.6 | Very high | 143 Ų | 143 | 63 Ų | 63 | 77% | 0.765 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 46.5 | -171.5 | -168.1 | 30.6 | 0 | 0 | 0 | 112.1 | V44 | V44-N48 WeakPolarHBondContact O-CA 3.41Å; V44-N48 PolarHBondContact O-N 3.27Å |
| 49 | A | 89.6 | Confident | 91.6 | Very high | 11 Ų | 11 | 63 Ų | 63 | 9% | 0.091 | 35% | 0.352 | C | S | . | . | trans | -68.4 | 137.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | V44 V47 E53 F57 | V44-A49 HydrophobicContact CG1-CB 4.24Å; V44-A49 PolarHBondContact O-N 3.06Å; V44-A49 VanDerWaalsContact O-N 3.07Å; V47-A49 HydrophobicContact CG2-CB 3.65Å; V47-A49 PolarHBondContact O-N 3.31Å; A49-E53 HydrophobicContact CB-CB 4.28Å; A49-F57 HydrophobicContact CB-CD2 4.17Å; A49-F57 HydrophobicContact CB-CE2 3.71Å; A49-F57 HydrophobicContact CB-CZ 4.34Å | ||
| 50 | S | 90.6 | Very high | 91.6 | Very high | 80 Ų | 80 | 66.1 Ų | 66.1 | 56% | 0.559 | 37% | 0.369 | S | S | * | . | trans | -124.8 | 166.7 | 175.4 | 60.4 | 0 | 0 | 0 | 0 | 110.4 | E53 | S50-E53 WeakPolarHBondContact O-CB 3.38Å; S50-E53 PolarHBondContact O-N 3.38Å | ||
| 51 | S | 85.1 | Confident | 91.7 | Very high | 104 Ų | 104 | 66.1 Ų | 66.1 | 73% | 0.727 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 127.2 | 176.3 | -59.2 | 0 | 0 | 0 | 0 | 110 | ||
| 52 | P | 85.1 | Confident | 91.9 | Very high | 110 Ų | 110 | 66 Ų | 66 | 71% | 0.714 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -99.2 | 2.5 | 18.8 | 37.4 | -35.9 | 0 | 0 | 0 | 116.8 | L54 | P52-L54 PolarHBondContact O-N 3.11Š|
| 53 | E | 88.1 | Confident | 92.1 | Very high | 102 Ų | 102 | 64.4 Ų | 64.4 | 48% | 0.477 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -67.6 | -17.6 | -174.7 | -59.5 | 179.8 | 160.7 | 0 | 0 | 113.6 | A49 S50 D55 Q56 F57 | A49-E53 HydrophobicContact CB-CB 4.28Å; S50-E53 WeakPolarHBondContact O-CB 3.38Å; S50-E53 PolarHBondContact O-N 3.38Å; E53-D55 PolarHBondContact O-N 3.48Å; E53-D55 VanDerWaalsContact O-N 3.12Å; E53-Q56 WeakPolarHBondContact O-CB 3.49Å; E53-Q56 PolarHBondContact O-N 3.23Å; E53-F57 WeakPolarHBondContact O-CD2 3.32Å |
| 54 | L | 90.4 | Very high | 92.4 | Very high | 44 Ų | 44 | 64.2 Ų | 64.2 | 23% | 0.23 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -55.7 | -30.5 | -178.8 | -158.2 | 68.2 | 0 | 0 | 0 | 113.3 | L39 V44 P52 Q56 F57 I58 | L39-L54 HydrophobicContact CD1-CD1 3.7Å; L39-L54 HydrophobicContact CD1-CD2 4.44Å; L39-L54 HydrophobicContact CD1-CG 3.81Å; L39-L54 HydrophobicContact CD2-CD1 4.2Å; V44-L54 HydrophobicContact CB-CD1 4.41Å; V44-L54 HydrophobicContact CG1-CD1 3.89Å; V44-L54 HydrophobicContact CG2-CD1 3.56Å; P52-L54 PolarHBondContact O-N 3.11Å; L54-Q56 PolarHBondContact O-N 3.4Å; L54-Q56 VanDerWaalsContact O-N 3.13Å; L54-F57 WeakPolarHBondContact O-CA 3.47Å; L54-F57 WeakPolarHBondContact O-CB 3.21Å; L54-F57 PolarHBondContact O-N 3.39Å; L54-I58 WeakPolarHBondContact O-CG1 3.3Å; L54-I58 PolarHBondContact O-N 2.76Å |
| 55 | D | 91.1 | Very high | 92.5 | Very high | 105 Ų | 105 | 63.4 Ų | 63.4 | 56% | 0.561 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -61.9 | -21.9 | 178.8 | -74.8 | -16.9 | 0 | 0 | 0 | 113.5 | E53 F57 R73 | E53-D55 PolarHBondContact O-N 3.48Å; E53-D55 VanDerWaalsContact O-N 3.12Å; D55-F57 PolarHBondContact O-N 3.49Å; D55-R73 PolarHBondContact O-NH1 2.84Å |
| 56 | Q | 91.9 | Very high | 92.7 | Very high | 116 Ų | 116 | 62.4 Ų | 62.4 | 54% | 0.542 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -76.8 | -12.9 | 174.3 | -55.8 | -175.5 | 25.2 | 0 | 0 | 112.5 | E53 L54 R73 G75 | E53-Q56 WeakPolarHBondContact O-CB 3.49Å; E53-Q56 PolarHBondContact O-N 3.23Å; L54-Q56 PolarHBondContact O-N 3.4Å; L54-Q56 VanDerWaalsContact O-N 3.13Å; Q56-R73 WeakPolarHBondContact O-CB 3.26Å; Q56-G75 PolarHBondContact O-N 2.91Å |
| 57 | F | 94.6 | Very high | 92.9 | Very high | 13 Ų | 13 | 59.7 Ų | 59.7 | 6% | 0.057 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | -12.7 | -179.9 | -61.6 | -90.1 | 0 | 0 | 0 | 113 | L39 C40 G43 V44 V47 A49 E53 L54 D55 C74 | L39-F57 HydrophobicContact CD1-CB 3.9Å; C40-F57 HydrophobicContact CB-CB 4.46Å; C40-F57 WeakPolarHBondContact CB-O 3.15Å; C40-F57 PolarHBondContact N-O 2.86Å; C40-F57 VanDerWaalsContact N-O 3.07Å; G43-F57 VanDerWaalsContact C-CE1 3.46Å; V44-F57 HydrophobicContact CG2-CB 3.59Å; V44-F57 HydrophobicContact CG2-CD1 4Å; V44-F57 HydrophobicContact CG2-CD2 4.1Å; V44-F57 HydrophobicContact CG2-CG 3.61Å; V47-F57 HydrophobicContact CG2-CE1 4.14Å; V47-F57 HydrophobicContact CG2-CE2 4.1Å; V47-F57 HydrophobicContact CG2-CZ 3.46Å; V47-F57 VanDerWaalsContact CG2-CZ 3.46Å; A49-F57 HydrophobicContact CB-CD2 4.17Å; A49-F57 HydrophobicContact CB-CE2 3.71Å; A49-F57 HydrophobicContact CB-CZ 4.34Å; E53-F57 WeakPolarHBondContact O-CD2 3.32Å; L54-F57 WeakPolarHBondContact O-CA 3.47Å; L54-F57 WeakPolarHBondContact O-CB 3.21Å; L54-F57 PolarHBondContact O-N 3.39Å; D55-F57 PolarHBondContact O-N 3.49Å; F57-C74 VanDerWaalsContact CD1-C 3.43Å |
| 58 | I | 95.3 | Very high | 93.1 | Very high | 20 Ų | 20 | 55.9 Ų | 55.9 | 10% | 0.103 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 129 | 177.6 | -62.9 | 172.2 | 0 | 0 | 0 | 110.2 | R37 I38 L39 L54 R73 L181 | R37-I58 HydrophobicContact CB-CG2 3.99Å; R37-I58 HydrophobicContact CG-CG2 4.49Å; I38-I58 WeakPolarHBondContact O-CA 3.5Å; L39-I58 HydrophobicContact CD1-CG1 3.77Å; L54-I58 WeakPolarHBondContact O-CG1 3.3Å; L54-I58 PolarHBondContact O-N 2.76Å; I58-R73 WeakPolarHBondContact O-CD 3.23Å; I58-R73 VanDerWaalsContact O-CG 3.32Å; I58-R73 WeakPolarHBondContact O-CG 3.38Å; I58-L181 HydrophobicContact CD1-CD1 3.8Å; I58-L181 HydrophobicContact CG1-CD1 3.82Å; I58-L181 HydrophobicContact CG2-CD1 4.39Å |
| 59 | G | 95.4 | Very high | 93.3 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | -173.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | R37 I38 T71 | R37-G59 CarbonylContact C-O 3.53Å; R37-G59 VanDerWaalsContact CA-O 3.28Å; R37-G59 WeakPolarHBondContact CA-O 3.23Å; I38-G59 PolarHBondContact N-O 3.48Å; I38-G59 PolarHBondContact O-N 3.47Å; G59-T71 CarbonylContact C-O 3.6Å; G59-T71 WeakPolarHBondContact CA-O 3.4Å |
| 60 | D | 96.5 | Very high | 93.5 | Very high | 80 Ų | 80 | 49 Ų | 49 | 43% | 0.428 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 147.7 | -174.7 | -54.8 | -61.6 | 0 | 0 | 0 | 110.9 | G36 K70 T71 | G36-D60 WeakPolarHBondContact O-CA 3.3Å; D60-K70 CarbonylContact O-C 3.46Å; D60-K70 VanDerWaalsContact O-CA 3.28Å; D60-K70 WeakPolarHBondContact O-CA 3.46Å; D60-T71 PolarHBondContact N-O 3.3Å; D60-T71 PolarHBondContact O-N 3.43Å |
| 61 | I | 97.2 | Very high | 93.8 | Very high | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.015 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 140.7 | 172.8 | -172.8 | 166 | 0 | 0 | 0 | 110 | V35 G36 I38 Y63 K70 I83 T165 V168 A169 | V35-I61 CarbonylContact C-O 3.5Å; V35-I61 WeakPolarHBondContact CA-O 3.43Å; G36-I61 PolarHBondContact N-O 3.07Å; G36-I61 WeakPolarHBondContact O-CG2 3.42Å; G36-I61 PolarHBondContact O-N 3.39Å; I38-I61 HydrophobicContact CD1-CB 4.49Å; I38-I61 HydrophobicContact CG2-CB 4.09Å; I38-I61 HydrophobicContact CG2-CG2 3.69Å; I61-Y63 HydrophobicContact CD1-CD1 4.45Å; I61-Y63 HydrophobicContact CG1-CD1 4.27Å; I61-K70 HydrophobicContact CB-CB 4.28Å; I61-K70 HydrophobicContact CD1-CB 4.44Å; I61-K70 HydrophobicContact CG1-CB 4.1Å; I61-I83 HydrophobicContact CD1-CD1 4Å; I61-I83 HydrophobicContact CG1-CD1 4.06Å; I61-T165 HydrophobicContact CG2-CG2 4.37Å; I61-V168 HydrophobicContact CD1-CG1 4.18Å; I61-A169 HydrophobicContact CD1-CB 3.83Å |
| 62 | Y | 97.6 | Very high | 94.2 | Very high | 77 Ų | 77 | 42.4 Ų | 42.4 | 30% | 0.302 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 141.6 | 169.3 | 65.9 | -88.4 | 0 | 0 | 0 | 109.9 | E31 R32 V34 G68 G69 | E31-Y62 HydrophobicContact CB-CD2 4.25Å; E31-Y62 HydrophobicContact CB-CE2 4.2Å; E31-Y62 WeakPolarHBondContact OE2-CE2 3.28Å; R32-Y62 HydrophobicContact CG-CD2 4.31Å; V34-Y62 VanDerWaalsContact O-CA 3.24Å; V34-Y62 WeakPolarHBondContact O-CA 3.31Å; Y62-G68 CarbonylContact O-C 3.48Å; Y62-G68 VanDerWaalsContact O-CA 3.26Å; Y62-G68 WeakPolarHBondContact O-CA 3.49Å; Y62-G69 PolarHBondContact N-O 3Å; Y62-G69 PolarHBondContact O-N 3.37Å |
| 63 | Y | 97 | Very high | 94.5 | Very high | 4 Ų | 4 | 41.5 Ų | 41.5 | 2% | 0.016 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 152.9 | 175.5 | 63.1 | -86.7 | 0 | 0 | 0 | 112.9 | E31 W33 V34 I61 F155 L164 T165 V168 | E31-Y63 VanDerWaalsContact C-C 3.44Å; E31-Y63 CarbonylContact O-C 3.55Å; E31-Y63 WeakPolarHBondContact O-CA 3.42Å; E31-Y63 PolarHBondContact O-N 3.25Å; W33-Y63 WeakPolarHBondContact CB-O 3.35Å; W33-Y63 PolarHBondContact N-O 3.13Å; V34-Y63 HydrophobicContact CB-CD1 4.28Å; V34-Y63 HydrophobicContact CB-CE1 3.71Å; V34-Y63 HydrophobicContact CB-CE2 4.17Å; V34-Y63 HydrophobicContact CG1-CE1 3.78Å; V34-Y63 HydrophobicContact CG2-CE1 4.4Å; V34-Y63 HydrophobicContact CG2-CE2 4.13Å; V34-Y63 PolarHBondContact N-O 2.99Å; V34-Y63 VanDerWaalsContact N-O 3.13Å; V34-Y63 PolarHBondContact O-N 2.93Å; I61-Y63 HydrophobicContact CD1-CD1 4.45Å; I61-Y63 HydrophobicContact CG1-CD1 4.27Å; Y63-F155 HydrophobicContact CE2-CZ 4.16Å; Y63-L164 HydrophobicContact CE2-CD2 3.99Å; Y63-L164 HydrophobicContact CE2-CG 4.25Å; Y63-T165 HydrophobicContact CE1-CG2 4.18Å; Y63-T165 PolarHBondContact OH-OG1 3.16Å; Y63-T165 VanDerWaalsContact OH-OG1 3.14Å; Y63-V168 HydrophobicContact CD1-CG1 4.03Å; Y63-V168 HydrophobicContact CE1-CG1 4.39Å; Y63-V168 HydrophobicContact CG-CG1 4.21Å |
| 64 | G | 96.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | trans | -108.1 | -158.3 | 169 | 0 | 0 | 0 | 0 | 0 | 111.2 | E31 F66 Q67 | E31-G64 VanDerWaalsContact C-N 3.3Å; E31-G64 PolarHBondContact O-N 2.92Å; E31-G64 VanDerWaalsContact O-N 3.09Å; G64-F66 VanDerWaalsContact C-N 3.35Å; G64-F66 PolarHBondContact O-N 2.89Å; G64-Q67 PolarHBondContact N-O 3.38Å | ||
| 65 | L | 95.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -73.8 | -25.1 | -176.8 | -65.3 | 170.3 | 0 | 0 | 0 | 113.7 | L28 W33 H98 V101 L105 F155 | L28-L65 HydrophobicContact CD2-CD1 3.65Å; W33-L65 HydrophobicContact CD2-CD2 4.44Å; W33-L65 HydrophobicContact CD2-CG 4.24Å; W33-L65 HydrophobicContact CE3-CD2 4.48Å; W33-L65 HydrophobicContact CH2-CD1 4.16Å; W33-L65 HydrophobicContact CZ2-CD1 3.61Å; W33-L65 HydrophobicContact CZ2-CG 4.09Å; L65-H98 PolarHBondContact O-CE1 3.38Å; L65-H98 PolarHBondContact O-NE2 3.18Å; L65-V101 HydrophobicContact CD2-CG1 3.77Å; L65-L105 HydrophobicContact CD1-CD1 3.63Å; L65-F155 HydrophobicContact CD2-CD2 3.69Å; L65-F155 HydrophobicContact CD2-CE2 3.83Å |
| 66 | F | 95.1 | Very high | 94.6 | Very high | 84 Ų | 84 | 37.2 Ų | 37.2 | 37% | 0.368 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -117.8 | -35.3 | -174.1 | -61.5 | -78.6 | 0 | 0 | 0 | 113.5 | L28 G64 I85 F86 I102 | L28-F66 WeakPolarHBondContact O-CD2 3.43Å; L28-F66 WeakPolarHBondContact O-CE2 3.41Å; G64-F66 VanDerWaalsContact C-N 3.35Å; G64-F66 PolarHBondContact O-N 2.89Å; F66-I85 WeakPolarHBondContact O-CB 3.44Å; F66-I85 WeakPolarHBondContact O-CG1 3.09Å; F66-I85 PolarHBondContact O-N 3.46Å; F66-F86 AromaticContact CD1-CD2 3.89Å; F66-F86 HydrophobicContact CD1-CD2 3.89Å; F66-F86 AromaticContact CD1-CE2 3.68Å; F66-F86 HydrophobicContact CD1-CE2 3.68Å; F66-F86 AromaticContact CE1-CE2 3.98Å; F66-F86 HydrophobicContact CE1-CE2 3.98Å; F66-I102 HydrophobicContact CE1-CD1 3.72Å; F66-I102 HydrophobicContact CE1-CG1 4.49Å; F66-I102 HydrophobicContact CZ-CD1 3.9Å; F66-I102 HydrophobicContact CZ-CG1 4.17Å; F66-I102 HydrophobicContact CZ-CG2 4.07Å |
| 67 | Q | 95.2 | Very high | 94.5 | Very high | 72 Ų | 72 | 33.7 Ų | 33.7 | 34% | 0.336 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 168 | -175.1 | 69.4 | -168.2 | 8.1 | 0 | 0 | 111.3 | E31 G64 I83 Y84 | E31-Q67 HydrophobicContact CG-CG 3.66Å; E31-Q67 VanDerWaalsContact OE1-CD 3.28Å; E31-Q67 WeakPolarHBondContact OE1-CG 3.49Å; E31-Q67 PolarHBondContact OE1-NE2 2.99Å; G64-Q67 PolarHBondContact N-O 3.38Å; Q67-I83 CarbonylContact C-O 2.85Å; Q67-I83 VanDerWaalsContact CA-O 3.23Å; Q67-I83 WeakPolarHBondContact CA-O 3.47Å; Q67-I83 WeakPolarHBondContact CB-O 3.41Å; Q67-Y84 HydrophobicContact CB-CD1 4.32Å |
| 68 | G | 96 | Very high | 94.5 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.4 | -165.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y62 I83 | Y62-G68 CarbonylContact O-C 3.48Å; Y62-G68 VanDerWaalsContact O-CA 3.26Å; Y62-G68 WeakPolarHBondContact O-CA 3.49Å; G68-I83 PolarHBondContact N-O 2.87Å; G68-I83 PolarHBondContact O-N 3.44Å |
| 69 | G | 95.6 | Very high | 94.4 | Very high | 3 Ų | 3 | 41 Ų | 41 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 153.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | Y62 S81 | Y62-G69 PolarHBondContact N-O 3Å; Y62-G69 PolarHBondContact O-N 3.37Å; G69-S81 WeakPolarHBondContact CA-O 3.04Å |
| 70 | K | 95.3 | Very high | 94.4 | Very high | 8 Ų | 8 | 51.1 Ų | 51.1 | 4% | 0.035 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 143.8 | 168.6 | 65 | -174.3 | -178.6 | -176.3 | 0 | 110.3 | I38 D60 I61 R80 S81 I83 A169 H171 E173 L178 | I38-K70 HydrophobicContact CD1-CB 4.2Å; D60-K70 CarbonylContact O-C 3.46Å; D60-K70 VanDerWaalsContact O-CA 3.28Å; D60-K70 WeakPolarHBondContact O-CA 3.46Å; I61-K70 HydrophobicContact CB-CB 4.28Å; I61-K70 HydrophobicContact CD1-CB 4.44Å; I61-K70 HydrophobicContact CG1-CB 4.1Å; K70-R80 CarbonylContact O-C 3.51Å; K70-R80 WeakPolarHBondContact O-CA 3.28Å; K70-S81 VanDerWaalsContact CE-OG 3.29Å; K70-S81 WeakPolarHBondContact CE-OG 3.44Å; K70-S81 WeakPolarHBondContact CG-OG 3.45Å; K70-S81 PolarHBondContact N-O 3.34Å; K70-S81 PolarHBondContact O-N 2.98Å; K70-S81 PolarHBondContact O-OG 3.28Å; K70-I83 HydrophobicContact CB-CD1 3.98Å; K70-I83 HydrophobicContact CD-CD1 4.12Å; K70-I83 HydrophobicContact CD-CG1 4.29Å; K70-I83 HydrophobicContact CG-CD1 4.07Å; K70-I83 HydrophobicContact CG-CG1 4.28Å; K70-A169 PolarHBondContact NZ-O 3.43Å; K70-H171 PolarHBondContact NZ-O 3.12Å; K70-E173 WeakPolarHBondContact CE-OE1 3.34Å; K70-E173 IonicContact NZ-OE1 2.7Å; K70-E173 PolarHBondContact NZ-OE1 3Å; K70-L178 HydrophobicContact CD-CD1 4.47Å |
| 71 | T | 95.6 | Very high | 94.2 | Very high | 19 Ų | 19 | 49.2 Ų | 49.2 | 12% | 0.117 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 118.1 | 174.5 | -53.9 | 0 | 0 | 0 | 0 | 107.8 | G59 D60 N78 R79 R80 | G59-T71 CarbonylContact C-O 3.6Å; G59-T71 WeakPolarHBondContact CA-O 3.4Å; D60-T71 PolarHBondContact N-O 3.3Å; D60-T71 PolarHBondContact O-N 3.43Å; T71-N78 HydrophobicContact CG2-CB 4.14Å; T71-R79 CarbonylContact C-O 3.53Å; T71-R79 WeakPolarHBondContact CA-O 3.47Å; T71-R80 HydrophobicContact CG2-CG 4.01Å |
| 72 | K | 93.9 | Very high | 94.1 | Very high | 26 Ų | 26 | 55.8 Ų | 55.8 | 11% | 0.113 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 136.9 | 178 | -59.1 | 179.3 | -62.4 | -169.9 | 0 | 109.1 | I38 G77 R79 E173 L178 | I38-K72 HydrophobicContact CD1-CG 4.39Å; K72-G77 VanDerWaalsContact O-O 3.11Å; K72-R79 PolarHBondContact N-O 3.26Å; K72-R79 PolarHBondContact O-N 3.5Å; K72-E173 IonicContact NZ-OE1 2.7Å; K72-E173 PolarHBondContact NZ-OE1 3.23Å; K72-E173 IonicContact NZ-OE2 2.7Å; K72-E173 PolarHBondContact NZ-OE2 2.69Å; K72-L178 HydrophobicContact CD-CD1 3.93Å; K72-L178 HydrophobicContact CD-CD2 4.25Å; K72-L178 HydrophobicContact CG-CD1 4.3Å; K72-L178 HydrophobicContact CG-CD2 4.35Å |
| 73 | R | 91.8 | Very high | 93.9 | Very high | 90 Ų | 90 | 52.6 Ų | 52.6 | 34% | 0.34 | 26% | 0.261 | S | S | . | . | trans | -99.6 | -56.7 | 169.2 | -62.9 | -167.9 | -176.6 | 159.1 | 3.8 | 112.5 | D55 Q56 I58 G75 L76 G77 N78 | D55-R73 PolarHBondContact O-NH1 2.84Å; Q56-R73 WeakPolarHBondContact O-CB 3.26Å; I58-R73 WeakPolarHBondContact O-CD 3.23Å; I58-R73 VanDerWaalsContact O-CG 3.32Å; I58-R73 WeakPolarHBondContact O-CG 3.38Å; R73-G75 PolarHBondContact O-N 2.91Å; R73-L76 PolarHBondContact O-N 3.44Å; R73-G77 WeakPolarHBondContact CA-O 3.48Å; R73-N78 WeakPolarHBondContact CG-OD1 3.45Å; R73-N78 PolarHBondContact NE-OD1 3.09Å | ||
| 74 | C | 91.5 | Very high | 93.7 | Very high | 7 Ų | 7 | 58.6 Ų | 58.6 | 5% | 0.047 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 26.5 | 178.5 | -57 | 0 | 0 | 0 | 0 | 114.7 | C40 F57 L76 F176 | C40-C74 HydrophobicContact CB-CB 3.73Å; C40-C74 WeakPolarHBondContact CB-SG 3.44Å; C40-C74 WeakPolarHBondContact SG-CB 3.37Å; C40-C74 CovalentContact SG-SG 2.04Å; C40-C74 PolarHBondContact SG-SG 3.38Å; F57-C74 VanDerWaalsContact CD1-C 3.43Å; C74-L76 PolarHBondContact O-N 2.93Å; C74-F176 HydrophobicContact CB-CD1 4.47Å; C74-F176 HydrophobicContact CB-CE1 4.26Å |
| 75 | G | 89.8 | Confident | 93.4 | Very high | 38 Ų | 38 | 58.6 Ų | 58.6 | 39% | 0.392 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | 4.4 | -173 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q56 R73 | Q56-G75 PolarHBondContact O-N 2.91Å; R73-G75 PolarHBondContact O-N 2.91Å |
| 76 | L | 89.7 | Confident | 93.1 | Very high | 117 Ų | 117 | 61.9 Ų | 61.9 | 61% | 0.613 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -111.9 | 12.6 | -176.5 | -59.2 | 175.7 | 0 | 0 | 0 | 112.9 | R73 C74 F176 | R73-L76 PolarHBondContact O-N 3.44Å; C74-L76 PolarHBondContact O-N 2.93Å; L76-F176 HydrophobicContact CD1-CZ 4.41Å |
| 77 | G | 90.3 | Very high | 92.5 | Very high | 42 Ų | 42 | 62.6 Ų | 62.6 | 43% | 0.433 | 31% | 0.312 | S | S | . | . | trans | 78.4 | 179.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | K72 R73 R79 | K72-G77 VanDerWaalsContact O-O 3.11Å; R73-G77 WeakPolarHBondContact CA-O 3.48Å; G77-R79 PolarHBondContact O-N 3.32Å | ||
| 78 | N | 94.2 | Very high | 92 | Very high | 105 Ų | 105 | 66.5 Ų | 66.5 | 56% | 0.561 | 33% | 0.328 | S | S | * | . | trans | -72.1 | 115.5 | -171.8 | -73.9 | -23.3 | 0 | 0 | 0 | 112.7 | T71 R73 | T71-N78 HydrophobicContact CG2-CB 4.14Å; R73-N78 WeakPolarHBondContact CG-OD1 3.45Å; R73-N78 PolarHBondContact NE-OD1 3.09Å | ||
| 79 | R | 93.4 | Very high | 91.3 | Very high | 81 Ų | 81 | 66.4 Ų | 66.4 | 31% | 0.306 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 107.9 | 175.9 | -55.6 | -179.3 | -51 | 172.1 | 4.9 | 110.5 | T71 K72 G77 | T71-R79 CarbonylContact C-O 3.53Å; T71-R79 WeakPolarHBondContact CA-O 3.47Å; K72-R79 PolarHBondContact N-O 3.26Å; K72-R79 PolarHBondContact O-N 3.5Å; G77-R79 PolarHBondContact O-N 3.32Å |
| 80 | R | 94.8 | Very high | 90.7 | Very high | 213 Ų | 213 | 67.1 Ų | 67.1 | 80% | 0.804 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 139.7 | 180 | -62.8 | -175.5 | 178.7 | 171 | 1.6 | 110.8 | K70 T71 | K70-R80 CarbonylContact O-C 3.51Å; K70-R80 WeakPolarHBondContact O-CA 3.28Å; T71-R80 HydrophobicContact CG2-CG 4.01Å |
| 81 | S | 92.8 | Very high | 90 | Very high | 40 Ų | 40 | 74.5 Ų | 74.5 | 28% | 0.28 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 141.7 | 172 | 54.6 | 0 | 0 | 0 | 0 | 110 | G69 K70 | G69-S81 WeakPolarHBondContact CA-O 3.04Å; K70-S81 VanDerWaalsContact CE-OG 3.29Å; K70-S81 WeakPolarHBondContact CE-OG 3.44Å; K70-S81 WeakPolarHBondContact CG-OG 3.45Å; K70-S81 PolarHBondContact N-O 3.34Å; K70-S81 PolarHBondContact O-N 2.98Å; K70-S81 PolarHBondContact O-OG 3.28Å |
| 82 | K | 94.1 | Very high | 89.1 | Confident | 141 Ų | 141 | 77 Ų | 77 | 61% | 0.613 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81 | 146.9 | 172.7 | -74.3 | -160.9 | 175 | -169.3 | 0 | 111 | Y84 | K82-Y84 HydrophobicContact CB-CE2 3.89Å; K82-Y84 HydrophobicContact CD-CE2 4.49Å; K82-Y84 WeakPolarHBondContact CD-OH 3.3Å |
| 83 | I | 93.6 | Very high | 88.3 | Confident | 10 Ų | 10 | 76.3 Ų | 76.3 | 5% | 0.051 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 129.8 | 173.6 | -64.4 | 161 | 0 | 0 | 0 | 107.3 | I61 Q67 G68 K70 I85 L89 V168 | I61-I83 HydrophobicContact CD1-CD1 4Å; I61-I83 HydrophobicContact CG1-CD1 4.06Å; Q67-I83 CarbonylContact C-O 2.85Å; Q67-I83 VanDerWaalsContact CA-O 3.23Å; Q67-I83 WeakPolarHBondContact CA-O 3.47Å; Q67-I83 WeakPolarHBondContact CB-O 3.41Å; G68-I83 PolarHBondContact N-O 2.87Å; G68-I83 PolarHBondContact O-N 3.44Å; K70-I83 HydrophobicContact CB-CD1 3.98Å; K70-I83 HydrophobicContact CD-CD1 4.12Å; K70-I83 HydrophobicContact CD-CG1 4.29Å; K70-I83 HydrophobicContact CG-CD1 4.07Å; K70-I83 HydrophobicContact CG-CG1 4.28Å; I83-I85 HydrophobicContact CG2-CD1 4.09Å; I83-L89 HydrophobicContact CG2-CD2 3.77Å; I83-V168 HydrophobicContact CD1-CG1 3.92Å; I83-V168 HydrophobicContact CG2-CG1 3.82Å |
| 84 | Y | 93.3 | Very high | 87.8 | Confident | 130 Ų | 130 | 75.5 Ų | 75.5 | 51% | 0.51 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 119.6 | 169.9 | -64.1 | -80.4 | 0 | 0 | 0 | 108.2 | Q67 K82 F86 | Q67-Y84 HydrophobicContact CB-CD1 4.32Å; K82-Y84 HydrophobicContact CB-CE2 3.89Å; K82-Y84 HydrophobicContact CD-CE2 4.49Å; K82-Y84 WeakPolarHBondContact CD-OH 3.3Å; Y84-F86 VanDerWaalsContact C-N 3.32Å |
| 85 | I | 91.1 | Very high | 87.5 | Confident | 2 Ų | 2 | 76 Ų | 76 | 1% | 0.01 | 39% | 0.387 | C | S | . | . | I | π-helix | trans | -70.4 | -33.9 | -179.2 | -57.5 | -59.9 | 0 | 0 | 0 | 110.6 | F66 I83 L89 V90 L93 V168 | F66-I85 WeakPolarHBondContact O-CB 3.44Å; F66-I85 WeakPolarHBondContact O-CG1 3.09Å; F66-I85 PolarHBondContact O-N 3.46Å; I83-I85 HydrophobicContact CG2-CD1 4.09Å; I85-L89 HydrophobicContact CD1-CD2 3.65Å; I85-L89 HydrophobicContact CD1-CG 4.25Å; I85-L89 CarbonylContact O-C 3.49Å; I85-L89 WeakPolarHBondContact O-CB 3.47Å; I85-L89 PolarHBondContact O-N 3.33Å; I85-V90 PolarHBondContact O-N 2.99Å; I85-L93 HydrophobicContact CG2-CD1 3.93Å; I85-V168 HydrophobicContact CD1-CG1 4.48Å; I85-V168 HydrophobicContact CD1-CG2 4.24Å |
| 86 | F | 88.7 | Confident | 87.3 | Confident | 69 Ų | 69 | 76.3 Ų | 76.3 | 30% | 0.303 | 39% | 0.39 | S | S | . | . | I | π-helix | trans | -107.1 | 150.4 | 176 | -65.9 | -87.4 | 0 | 0 | 0 | 111.2 | F66 Y84 V90 H98 M99 I102 | F66-F86 AromaticContact CD1-CD2 3.89Å; F66-F86 HydrophobicContact CD1-CD2 3.89Å; F66-F86 AromaticContact CD1-CE2 3.68Å; F66-F86 HydrophobicContact CD1-CE2 3.68Å; F66-F86 AromaticContact CE1-CE2 3.98Å; F66-F86 HydrophobicContact CE1-CE2 3.98Å; Y84-F86 VanDerWaalsContact C-N 3.32Å; F86-V90 HydrophobicContact CD1-CB 4.16Å; F86-V90 HydrophobicContact CD1-CG1 3.93Å; F86-V90 HydrophobicContact CD1-CG2 4.46Å; F86-V90 HydrophobicContact CE1-CB 4.08Å; F86-V90 HydrophobicContact CE1-CG1 4.09Å; F86-V90 HydrophobicContact CE1-CG2 3.87Å; F86-V90 HydrophobicContact CZ-CG2 4.28Å; F86-H98 AromaticContact CZ-CD2 3.91Å; F86-M99 HydrophobicContact CE1-SD 3.64Å; F86-M99 HydrophobicContact CZ-SD 3.67Å; F86-I102 HydrophobicContact CE2-CD1 3.94Å; F86-I102 HydrophobicContact CZ-CD1 3.8Å |
| 87 | P | 82.8 | Confident | 87.3 | Confident | 99 Ų | 99 | 72.2 Ų | 72.2 | 64% | 0.643 | 37% | 0.369 | S | S | * | . | I | π-helix | cis | -93.9 | -14.6 | -2.6 | 33.9 | -32.6 | 0 | 0 | 0 | 114.1 | V90 | P87-V90 WeakPolarHBondContact O-CG1 3.31Å |
| 88 | K | 83.9 | Confident | 87.5 | Confident | 155 Ų | 155 | 70.7 Ų | 70.7 | 67% | 0.674 | 35% | 0.35 | S | S | * | . | I | π-helix | trans | -90.3 | -41.1 | -169.2 | -64.2 | -176.7 | 180 | -179.6 | 0 | 113.7 | V90 Q91 | K88-V90 VanDerWaalsContact C-N 3.35Å; K88-V90 PolarHBondContact O-N 3.12Å; K88-Q91 WeakPolarHBondContact O-CB 3.42Å; K88-Q91 PolarHBondContact O-N 3.14Å |
| 89 | L | 81.5 | Confident | 87.4 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 34% | 0.343 | C | S | . | . | I | π-helix | trans | -62.9 | -40.6 | -176.9 | 171.6 | 46.5 | 0 | 0 | 0 | 111.5 | I83 I85 Q91 T92 L93 V168 H171 | I83-L89 HydrophobicContact CG2-CD2 3.77Å; I85-L89 HydrophobicContact CD1-CD2 3.65Å; I85-L89 HydrophobicContact CD1-CG 4.25Å; I85-L89 CarbonylContact O-C 3.49Å; I85-L89 WeakPolarHBondContact O-CB 3.47Å; I85-L89 PolarHBondContact O-N 3.33Å; L89-Q91 PolarHBondContact O-N 2.87Å; L89-T92 VanDerWaalsContact CD1-OG1 3.32Å; L89-T92 WeakPolarHBondContact CD1-OG1 3.29Å; L89-T92 WeakPolarHBondContact O-CA 3.4Å; L89-T92 PolarHBondContact O-N 3.04Å; L89-T92 PolarHBondContact O-OG1 3.14Å; L89-L93 HydrophobicContact CD1-CD1 4.28Å; L89-L93 HydrophobicContact CD1-CD2 3.76Å; L89-L93 HydrophobicContact CD1-CG 3.84Å; L89-L93 HydrophobicContact CG-CD1 4.14Å; L89-L93 HydrophobicContact CG-CG 4.19Å; L89-L93 WeakPolarHBondContact O-CG 3.33Å; L89-L93 PolarHBondContact O-N 2.79Å; L89-V168 HydrophobicContact CD2-CG1 4.33Å; L89-V168 HydrophobicContact CD2-CG2 4.37Å; L89-H171 HydrophobicContact CD1-CB 3.63Å; L89-H171 HydrophobicContact CD2-CB 4.07Å; L89-H171 HydrophobicContact CG-CB 4.36Å |
| 90 | V | 83.4 | Confident | 87.4 | Confident | 18 Ų | 18 | 70.1 Ų | 70.1 | 11% | 0.109 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -54.1 | -27.5 | 177.3 | 76.1 | 0 | 0 | 0 | 0 | 114.1 | I85 F86 P87 K88 L93 G95 H98 | I85-V90 PolarHBondContact O-N 2.99Å; F86-V90 HydrophobicContact CD1-CB 4.16Å; F86-V90 HydrophobicContact CD1-CG1 3.93Å; F86-V90 HydrophobicContact CD1-CG2 4.46Å; F86-V90 HydrophobicContact CE1-CB 4.08Å; F86-V90 HydrophobicContact CE1-CG1 4.09Å; F86-V90 HydrophobicContact CE1-CG2 3.87Å; F86-V90 HydrophobicContact CZ-CG2 4.28Å; P87-V90 WeakPolarHBondContact O-CG1 3.31Å; K88-V90 VanDerWaalsContact C-N 3.35Å; K88-V90 PolarHBondContact O-N 3.12Å; V90-L93 PolarHBondContact O-N 2.83Å; V90-L93 VanDerWaalsContact O-O 3.13Å; V90-G95 WeakPolarHBondContact O-CA 3.37Å; V90-G95 PolarHBondContact O-N 2.77Å; V90-H98 HydrophobicContact CG2-CB 4.42Å |
| 91 | Q | 79.6 | Confident | 87.5 | Confident | 162 Ų | 162 | 60 Ų | 60 | 76% | 0.757 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -73.5 | -30.8 | 176.3 | -61.1 | -179.2 | -9.5 | 0 | 0 | 112.8 | K88 L89 | K88-Q91 WeakPolarHBondContact O-CB 3.42Å; K88-Q91 PolarHBondContact O-N 3.14Å; L89-Q91 PolarHBondContact O-N 2.87Å |
| 92 | T | 77.5 | Confident | 87.7 | Confident | 73 Ų | 73 | 58.7 Ų | 58.7 | 45% | 0.448 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -84.1 | -21.8 | 174.2 | 62.8 | 0 | 0 | 0 | 0 | 112.2 | L89 R167 | L89-T92 VanDerWaalsContact CD1-OG1 3.32Å; L89-T92 WeakPolarHBondContact CD1-OG1 3.29Å; L89-T92 WeakPolarHBondContact O-CA 3.4Å; L89-T92 PolarHBondContact O-N 3.04Å; L89-T92 PolarHBondContact O-OG1 3.14Å; T92-R167 PolarHBondContact O-NH1 3.32Å |
| 93 | L | 75.9 | Confident | 87.8 | Confident | 10 Ų | 10 | 56.5 Ų | 56.5 | 5% | 0.052 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -75.3 | 166.5 | 166.2 | -56 | -175.5 | 0 | 0 | 0 | 109.8 | I85 L89 V90 G95 L164 R167 V168 | I85-L93 HydrophobicContact CG2-CD1 3.93Å; L89-L93 HydrophobicContact CD1-CD1 4.28Å; L89-L93 HydrophobicContact CD1-CD2 3.76Å; L89-L93 HydrophobicContact CD1-CG 3.84Å; L89-L93 HydrophobicContact CG-CD1 4.14Å; L89-L93 HydrophobicContact CG-CG 4.19Å; L89-L93 WeakPolarHBondContact O-CG 3.33Å; L89-L93 PolarHBondContact O-N 2.79Å; V90-L93 PolarHBondContact O-N 2.83Å; V90-L93 VanDerWaalsContact O-O 3.13Å; L93-G95 PolarHBondContact O-N 3.09Å; L93-L164 HydrophobicContact CD1-CD1 3.73Å; L93-L164 HydrophobicContact CD2-CD1 3.46Å; L93-L164 VanDerWaalsContact CD2-CD1 3.46Å; L93-L164 HydrophobicContact CG-CD1 4.1Å; L93-R167 HydrophobicContact CD2-CB 3.74Å; L93-V168 HydrophobicContact CD2-CG2 4.21Å |
| 94 | N | 83.1 | Confident | 88 | Confident | 73 Ų | 73 | 58.2 Ų | 58.2 | 39% | 0.39 | 30% | 0.303 | S | S | . | . | trans | -68 | 80.9 | 159.2 | -172.7 | -11 | 0 | 0 | 0 | 107.6 | G96 L97 H98 | N94-G96 PolarHBondContact O-N 3.2Å; N94-L97 HydrophobicContact CB-CB 4.03Å; N94-L97 WeakPolarHBondContact O-CB 3.24Å; N94-L97 PolarHBondContact O-N 3.39Å; N94-L97 PolarHBondContact OD1-N 3.13Å; N94-H98 PolarHBondContact O-N 3.37Å; N94-H98 VanDerWaalsContact O-N 3.09Å | ||
| 95 | G | 83.4 | Confident | 88.2 | Confident | 18 Ų | 18 | 52.1 Ų | 52.1 | 19% | 0.186 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59 | -34.9 | -169.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | V90 L93 H98 M99 | V90-G95 WeakPolarHBondContact O-CA 3.37Å; V90-G95 PolarHBondContact O-N 2.77Å; L93-G95 PolarHBondContact O-N 3.09Å; G95-H98 PolarHBondContact O-N 3.32Å; G95-M99 WeakPolarHBondContact O-CB 3.49Å; G95-M99 VanDerWaalsContact O-CG 3.25Å; G95-M99 WeakPolarHBondContact O-CG 3.23Å; G95-M99 PolarHBondContact O-N 3.31Å |
| 96 | G | 86.4 | Confident | 88.6 | Confident | 44 Ų | 44 | 56.4 Ų | 56.4 | 45% | 0.454 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.1 | -49.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112 | N94 H98 M99 M100 | N94-G96 PolarHBondContact O-N 3.2Å; G96-H98 PolarHBondContact O-N 3.47Å; G96-M99 PolarHBondContact O-N 2.62Å; G96-M100 VanDerWaalsContact O-CG 3.27Å; G96-M100 WeakPolarHBondContact O-CG 3.32Å; G96-M100 PolarHBondContact O-N 3.19Å |
| 97 | L | 89.9 | Confident | 89 | Confident | 32 Ų | 32 | 54.1 Ų | 54.1 | 17% | 0.168 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.3 | -43.5 | 178.3 | -175.7 | 64.5 | 0 | 0 | 0 | 112 | N94 M100 V101 C154 A158 | N94-L97 HydrophobicContact CB-CB 4.03Å; N94-L97 WeakPolarHBondContact O-CB 3.24Å; N94-L97 PolarHBondContact O-N 3.39Å; N94-L97 PolarHBondContact OD1-N 3.13Å; L97-M100 PolarHBondContact O-N 3.49Å; L97-V101 WeakPolarHBondContact O-CG2 3.23Å; L97-V101 PolarHBondContact O-N 3.41Å; L97-V101 VanDerWaalsContact O-N 3.08Å; L97-C154 HydrophobicContact CD1-CB 3.95Å; L97-A158 HydrophobicContact CD2-CB 3.73Å; L97-A158 HydrophobicContact CG-CB 4.46Å |
| 98 | H | 93.4 | Very high | 89.8 | Confident | 9 Ų | 9 | 49.4 Ų | 49.4 | 4% | 0.042 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.7 | -41.2 | 179.1 | -164.8 | 76.2 | 0 | 0 | 0 | 112.3 | L65 F86 V90 N94 G95 G96 M100 V101 I102 | L65-H98 PolarHBondContact O-CE1 3.38Å; L65-H98 PolarHBondContact O-NE2 3.18Å; F86-H98 AromaticContact CZ-CD2 3.91Å; V90-H98 HydrophobicContact CG2-CB 4.42Å; N94-H98 PolarHBondContact O-N 3.37Å; N94-H98 VanDerWaalsContact O-N 3.09Å; G95-H98 PolarHBondContact O-N 3.32Å; G96-H98 PolarHBondContact O-N 3.47Å; H98-M100 VanDerWaalsContact C-N 3.34Å; H98-M100 PolarHBondContact O-N 3.17Å; H98-V101 WeakPolarHBondContact O-CB 3.19Å; H98-V101 PolarHBondContact O-N 2.94Å; H98-I102 PolarHBondContact O-N 3.31Å |
| 99 | M | 92.3 | Very high | 90.4 | Very high | 82 Ų | 82 | 42.9 Ų | 42.9 | 40% | 0.404 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.8 | -39.6 | 174.3 | -70.3 | -58.2 | -66.2 | 0 | 0 | 111.9 | F86 G95 G96 V101 I102 L103 | F86-M99 HydrophobicContact CE1-SD 3.64Å; F86-M99 HydrophobicContact CZ-SD 3.67Å; G95-M99 WeakPolarHBondContact O-CB 3.49Å; G95-M99 VanDerWaalsContact O-CG 3.25Å; G95-M99 WeakPolarHBondContact O-CG 3.23Å; G95-M99 PolarHBondContact O-N 3.31Å; G96-M99 PolarHBondContact O-N 2.62Å; M99-V101 VanDerWaalsContact C-N 3.33Å; M99-V101 PolarHBondContact O-N 3.12Å; M99-I102 PolarHBondContact O-N 3.36Å; M99-L103 WeakPolarHBondContact O-CB 3.47Å; M99-L103 VanDerWaalsContact O-CG 3.29Å; M99-L103 WeakPolarHBondContact O-CG 3.47Å; M99-L103 PolarHBondContact O-N 3.25Å |
| 100 | M | 94.4 | Very high | 91.2 | Very high | 92 Ų | 92 | 44.5 Ų | 44.5 | 45% | 0.453 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.1 | -39.9 | 176.1 | -69.5 | -59.1 | 170.4 | 0 | 0 | 112.1 | G96 L97 H98 I102 L103 F104 | G96-M100 VanDerWaalsContact O-CG 3.27Å; G96-M100 WeakPolarHBondContact O-CG 3.32Å; G96-M100 PolarHBondContact O-N 3.19Å; L97-M100 PolarHBondContact O-N 3.49Å; H98-M100 VanDerWaalsContact C-N 3.34Å; H98-M100 PolarHBondContact O-N 3.17Å; M100-I102 PolarHBondContact O-N 3.31Å; M100-L103 PolarHBondContact O-N 3.43Å; M100-L103 HydrophobicContact SD-CD1 4.31Å; M100-F104 HydrophobicContact CB-CD2 4.4Å; M100-F104 HydrophobicContact CB-CE2 4.09Å; M100-F104 WeakPolarHBondContact O-CB 3.46Å; M100-F104 WeakPolarHBondContact O-CD2 3.35Å; M100-F104 VanDerWaalsContact O-CG 3.23Å; M100-F104 WeakPolarHBondContact O-CG 3.4Å; M100-F104 PolarHBondContact O-N 3.12Å |
| 101 | V | 96.2 | Very high | 91.9 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.006 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -55.1 | -52.1 | 173.6 | 173.3 | 0 | 0 | 0 | 0 | 110.5 | L65 L97 H98 M99 L103 F104 L105 C154 F155 | L65-V101 HydrophobicContact CD2-CG1 3.77Å; L97-V101 WeakPolarHBondContact O-CG2 3.23Å; L97-V101 PolarHBondContact O-N 3.41Å; L97-V101 VanDerWaalsContact O-N 3.08Å; H98-V101 WeakPolarHBondContact O-CB 3.19Å; H98-V101 PolarHBondContact O-N 2.94Å; M99-V101 VanDerWaalsContact C-N 3.33Å; M99-V101 PolarHBondContact O-N 3.12Å; V101-L103 PolarHBondContact O-N 3.39Å; V101-F104 PolarHBondContact O-N 3.15Å; V101-L105 HydrophobicContact CG1-CD1 3.95Å; V101-L105 VanDerWaalsContact O-CG 3.29Å; V101-L105 WeakPolarHBondContact O-CG 3.48Å; V101-L105 PolarHBondContact O-N 3.16Å; V101-C154 HydrophobicContact CG2-CB 3.56Å; V101-F155 HydrophobicContact CG1-CB 4.06Å; V101-F155 HydrophobicContact CG1-CD2 4.43Å; V101-F155 HydrophobicContact CG2-CB 4.04Å |
| 102 | I | 96.4 | Very high | 92.7 | Very high | 12 Ų | 12 | 38.5 Ų | 38.5 | 6% | 0.062 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.5 | -46.4 | -178.1 | -63.5 | 165.7 | 0 | 0 | 0 | 110.7 | F66 F86 H98 M99 M100 F104 L105 L106 | F66-I102 HydrophobicContact CE1-CD1 3.72Å; F66-I102 HydrophobicContact CE1-CG1 4.49Å; F66-I102 HydrophobicContact CZ-CD1 3.9Å; F66-I102 HydrophobicContact CZ-CG1 4.17Å; F66-I102 HydrophobicContact CZ-CG2 4.07Å; F86-I102 HydrophobicContact CE2-CD1 3.94Å; F86-I102 HydrophobicContact CZ-CD1 3.8Å; H98-I102 PolarHBondContact O-N 3.31Å; M99-I102 PolarHBondContact O-N 3.36Å; M100-I102 PolarHBondContact O-N 3.31Å; I102-F104 VanDerWaalsContact C-N 3.34Å; I102-F104 PolarHBondContact O-N 3.1Å; I102-L105 PolarHBondContact O-N 3.17Å; I102-L106 HydrophobicContact CG2-CD1 3.88Å; I102-L106 HydrophobicContact CG2-CG 4.31Å; I102-L106 WeakPolarHBondContact O-CB 3.44Å; I102-L106 WeakPolarHBondContact O-CG 3.48Å; I102-L106 PolarHBondContact O-N 2.68Å |
| 103 | L | 97 | Very high | 93.7 | Very high | 95 Ų | 95 | 38.8 Ų | 38.8 | 50% | 0.497 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.4 | -41.9 | 179.3 | -71.4 | 172.8 | 0 | 0 | 0 | 112.1 | M99 M100 V101 L106 G107 | M99-L103 WeakPolarHBondContact O-CB 3.47Å; M99-L103 VanDerWaalsContact O-CG 3.29Å; M99-L103 WeakPolarHBondContact O-CG 3.47Å; M99-L103 PolarHBondContact O-N 3.25Å; M100-L103 PolarHBondContact O-N 3.43Å; M100-L103 HydrophobicContact SD-CD1 4.31Å; V101-L103 PolarHBondContact O-N 3.39Å; L103-L106 PolarHBondContact O-N 3.01Å; L103-G107 PolarHBondContact O-N 2.85Å |
| 104 | F | 98.3 | Very high | 94.6 | Very high | 46 Ų | 46 | 40.8 Ų | 40.8 | 20% | 0.202 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.6 | -42.8 | 177.4 | -71.1 | -33.3 | 0 | 0 | 0 | 112.2 | M100 V101 I102 G107 A108 F147 L150 | M100-F104 HydrophobicContact CB-CD2 4.4Å; M100-F104 HydrophobicContact CB-CE2 4.09Å; M100-F104 WeakPolarHBondContact O-CB 3.46Å; M100-F104 WeakPolarHBondContact O-CD2 3.35Å; M100-F104 VanDerWaalsContact O-CG 3.23Å; M100-F104 WeakPolarHBondContact O-CG 3.4Å; M100-F104 PolarHBondContact O-N 3.12Å; V101-F104 PolarHBondContact O-N 3.15Å; I102-F104 VanDerWaalsContact C-N 3.34Å; I102-F104 PolarHBondContact O-N 3.1Å; F104-G107 PolarHBondContact O-N 2.98Å; F104-A108 WeakPolarHBondContact O-CB 3.26Å; F104-A108 PolarHBondContact O-N 2.71Å; F104-F147 WeakPolarHBondContact CB-O 3.14Å; F104-F147 AromaticContact CD1-CD1 3.89Å; F104-F147 HydrophobicContact CD1-CD1 3.89Å; F104-F147 HydrophobicContact CD1-CE1 4.03Å; F104-L150 HydrophobicContact CD2-CB 3.77Å; F104-L150 HydrophobicContact CE1-CD1 4.46Å; F104-L150 HydrophobicContact CE2-CB 3.98Å; F104-L150 HydrophobicContact CG-CB 4.15Å; F104-L150 HydrophobicContact CZ-CD1 4.38Å |
| 105 | L | 97.9 | Very high | 95.2 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.6 | -41.2 | 176.7 | -65 | 174.2 | 0 | 0 | 0 | 112 | L24 L28 W33 L65 V101 I102 A108 V109 | L24-L105 HydrophobicContact CD2-CD2 4Å; L28-L105 HydrophobicContact CD2-CB 3.95Å; L28-L105 HydrophobicContact CD2-CD1 3.85Å; L28-L105 HydrophobicContact CG-CB 4.49Å; W33-L105 HydrophobicContact CH2-CD1 3.63Å; W33-L105 HydrophobicContact CZ2-CD1 3.96Å; L65-L105 HydrophobicContact CD1-CD1 3.63Å; V101-L105 HydrophobicContact CG1-CD1 3.95Å; V101-L105 VanDerWaalsContact O-CG 3.29Å; V101-L105 WeakPolarHBondContact O-CG 3.48Å; V101-L105 PolarHBondContact O-N 3.16Å; I102-L105 PolarHBondContact O-N 3.17Å; L105-A108 WeakPolarHBondContact O-CB 3.12Å; L105-A108 PolarHBondContact O-N 3.04Å; L105-V109 WeakPolarHBondContact O-CG2 3.36Å; L105-V109 PolarHBondContact O-N 3.41Å |
| 106 | L | 98.2 | Very high | 95.7 | Very high | 93 Ų | 93 | 37.6 Ų | 37.6 | 49% | 0.487 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.3 | -39.8 | 174.4 | -70.1 | 176.2 | 0 | 0 | 0 | 112 | L28 I102 L103 A108 V109 G110 | L28-L106 HydrophobicContact CD1-CD2 3.83Å; I102-L106 HydrophobicContact CG2-CD1 3.88Å; I102-L106 HydrophobicContact CG2-CG 4.31Å; I102-L106 WeakPolarHBondContact O-CB 3.44Å; I102-L106 WeakPolarHBondContact O-CG 3.48Å; I102-L106 PolarHBondContact O-N 2.68Å; L103-L106 PolarHBondContact O-N 3.01Å; L106-A108 VanDerWaalsContact C-N 3.33Å; L106-V109 WeakPolarHBondContact O-CB 3.07Å; L106-V109 PolarHBondContact O-N 3.05Å; L106-G110 PolarHBondContact O-N 3.39Å |
| 107 | G | 97.9 | Very high | 96.1 | Very high | 20 Ų | 20 | 39 Ų | 39 | 21% | 0.206 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.6 | -44.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L103 F104 V109 G110 F111 | L103-G107 PolarHBondContact O-N 2.85Å; F104-G107 PolarHBondContact O-N 2.98Å; G107-V109 PolarHBondContact O-N 3.4Å; G107-G110 PolarHBondContact O-N 2.87Å; G107-G110 VanDerWaalsContact O-N 3.14Å; G107-F111 WeakPolarHBondContact O-CD2 3.24Å; G107-F111 PolarHBondContact O-N 2.97Å |
| 108 | A | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.4 | -44.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L24 F104 L105 L106 G110 F111 A112 F147 | L24-A108 HydrophobicContact CD1-CB 3.82Å; F104-A108 WeakPolarHBondContact O-CB 3.26Å; F104-A108 PolarHBondContact O-N 2.71Å; L105-A108 WeakPolarHBondContact O-CB 3.12Å; L105-A108 PolarHBondContact O-N 3.04Å; L106-A108 VanDerWaalsContact C-N 3.33Å; A108-G110 VanDerWaalsContact C-N 3.34Å; A108-G110 PolarHBondContact O-N 3.45Å; A108-F111 PolarHBondContact O-N 3.03Å; A108-A112 VanDerWaalsContact O-CB 3.27Å; A108-A112 WeakPolarHBondContact O-CB 3.33Å; A108-A112 PolarHBondContact O-N 3.25Å; A108-F147 HydrophobicContact CB-CB 3.99Å |
| 109 | V | 98.3 | Very high | 96 | Very high | 18 Ų | 18 | 38.9 Ų | 38.9 | 11% | 0.109 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.5 | -47 | 172.9 | 173.2 | 0 | 0 | 0 | 0 | 111 | V21 L24 L105 L106 G107 F111 A112 L113 | V21-V109 HydrophobicContact CG1-CG1 4.36Å; L24-V109 HydrophobicContact CB-CG2 3.53Å; L24-V109 HydrophobicContact CD1-CG2 3.68Å; L24-V109 HydrophobicContact CG-CG2 4.24Å; L105-V109 WeakPolarHBondContact O-CG2 3.36Å; L105-V109 PolarHBondContact O-N 3.41Å; L106-V109 WeakPolarHBondContact O-CB 3.07Å; L106-V109 PolarHBondContact O-N 3.05Å; G107-V109 PolarHBondContact O-N 3.4Å; V109-F111 PolarHBondContact O-N 2.85Å; V109-A112 PolarHBondContact O-N 2.7Å; V109-L113 HydrophobicContact CG1-CD1 4.12Å; V109-L113 WeakPolarHBondContact O-CG 3.38Å; V109-L113 PolarHBondContact O-N 3.28Å |
| 110 | G | 97.9 | Very high | 96 | Very high | 34 Ų | 34 | 38 Ų | 38 | 35% | 0.351 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -57.9 | -49.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L106 G107 A108 A112 L113 V114 | L106-G110 PolarHBondContact O-N 3.39Å; G107-G110 PolarHBondContact O-N 2.87Å; G107-G110 VanDerWaalsContact O-N 3.14Å; A108-G110 VanDerWaalsContact C-N 3.34Å; A108-G110 PolarHBondContact O-N 3.45Å; G110-A112 PolarHBondContact O-N 3.14Å; G110-L113 PolarHBondContact O-N 3.48Å; G110-V114 WeakPolarHBondContact O-CG2 3.33Å; G110-V114 PolarHBondContact O-N 3.01Å; G110-V114 VanDerWaalsContact O-N 3.09Å |
| 111 | F | 97.3 | Very high | 95.8 | Very high | 55 Ų | 55 | 36.6 Ų | 36.6 | 24% | 0.241 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.7 | -33 | 178.5 | -67.5 | -61.6 | 0 | 0 | 0 | 112.9 | G107 A108 V109 L113 V114 S115 W140 I143 A144 F147 | G107-F111 WeakPolarHBondContact O-CD2 3.24Å; G107-F111 PolarHBondContact O-N 2.97Å; A108-F111 PolarHBondContact O-N 3.03Å; V109-F111 PolarHBondContact O-N 2.85Å; F111-L113 VanDerWaalsContact C-N 3.34Å; F111-L113 PolarHBondContact O-N 3.29Å; F111-V114 PolarHBondContact O-N 3.45Å; F111-S115 WeakPolarHBondContact O-CB 3.49Å; F111-S115 PolarHBondContact O-N 2.88Å; F111-W140 AromaticContact CD1-CE3 3.83Å; F111-W140 HydrophobicContact CD1-CE3 3.83Å; F111-W140 HydrophobicContact CD1-CZ3 4.02Å; F111-W140 HydrophobicContact CE1-CE3 4.2Å; F111-W140 AromaticContact CE1-CZ3 3.94Å; F111-W140 HydrophobicContact CE1-CZ3 3.94Å; F111-I143 HydrophobicContact CD1-CG2 4.04Å; F111-I143 HydrophobicContact CD2-CG2 3.52Å; F111-I143 HydrophobicContact CE1-CG2 3.99Å; F111-I143 HydrophobicContact CE2-CG2 3.47Å; F111-I143 VanDerWaalsContact CE2-CG2 3.47Å; F111-I143 HydrophobicContact CG-CB 4.49Å; F111-I143 HydrophobicContact CG-CG2 3.83Å; F111-I143 HydrophobicContact CZ-CG2 3.71Å; F111-A144 HydrophobicContact CB-CB 3.69Å; F111-F147 HydrophobicContact CD2-CD2 4.42Å; F111-F147 HydrophobicContact CD2-CG 4.47Å; F111-F147 HydrophobicContact CE2-CD1 4.44Å; F111-F147 HydrophobicContact CE2-CD2 4.14Å; F111-F147 HydrophobicContact CE2-CE1 4.31Å; F111-F147 AromaticContact CE2-CE2 3.98Å; F111-F147 HydrophobicContact CE2-CE2 3.98Å; F111-F147 HydrophobicContact CE2-CG 4.37Å; F111-F147 HydrophobicContact CE2-CZ 4.08Å |
| 112 | A | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.4 | -39.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V21 A108 V109 G110 S115 L116 | V21-A112 HydrophobicContact CG2-CB 3.73Å; A108-A112 VanDerWaalsContact O-CB 3.27Å; A108-A112 WeakPolarHBondContact O-CB 3.33Å; A108-A112 PolarHBondContact O-N 3.25Å; V109-A112 PolarHBondContact O-N 2.7Å; G110-A112 PolarHBondContact O-N 3.14Å; A112-S115 WeakPolarHBondContact O-CB 3.49Å; A112-S115 PolarHBondContact O-N 3.39Å; A112-L116 WeakPolarHBondContact O-CB 3.47Å; A112-L116 PolarHBondContact O-N 2.96Å |
| 113 | L | 97.6 | Very high | 94.9 | Very high | 79 Ų | 79 | 36.3 Ų | 36.3 | 41% | 0.414 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -68 | -37.2 | 175 | -70.5 | 171.2 | 0 | 0 | 0 | 112.8 | V21 V109 G110 F111 L116 S117 | V21-L113 HydrophobicContact CG1-CD2 4.32Å; V21-L113 HydrophobicContact CG2-CD2 3.93Å; V21-L113 HydrophobicContact CG2-CG 4.1Å; V109-L113 HydrophobicContact CG1-CD1 4.12Å; V109-L113 WeakPolarHBondContact O-CG 3.38Å; V109-L113 PolarHBondContact O-N 3.28Å; G110-L113 PolarHBondContact O-N 3.48Å; F111-L113 VanDerWaalsContact C-N 3.34Å; F111-L113 PolarHBondContact O-N 3.29Å; L113-L116 HydrophobicContact CD2-CD2 4.3Å; L113-L116 PolarHBondContact O-N 3.42Å; L113-S117 WeakPolarHBondContact O-CB 3.32Å; L113-S117 PolarHBondContact O-N 3.08Å; L113-S117 PolarHBondContact O-OG 3.01Å |
| 114 | V | 95.6 | Very high | 94.3 | Very high | 52 Ų | 52 | 41.4 Ų | 41.4 | 32% | 0.315 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.2 | -47.3 | 172.4 | 173.2 | 0 | 0 | 0 | 0 | 110.3 | G110 F111 S117 F118 W140 | G110-V114 WeakPolarHBondContact O-CG2 3.33Å; G110-V114 PolarHBondContact O-N 3.01Å; G110-V114 VanDerWaalsContact O-N 3.09Å; F111-V114 PolarHBondContact O-N 3.45Å; V114-S117 WeakPolarHBondContact O-CB 3.37Å; V114-S117 PolarHBondContact O-N 3.01Å; V114-F118 HydrophobicContact CG1-CD2 3.93Å; V114-F118 HydrophobicContact CG1-CE2 3.39Å; V114-F118 HydrophobicContact CG1-CZ 4.1Å; V114-F118 WeakPolarHBondContact O-CD2 3.19Å; V114-F118 PolarHBondContact O-N 3.28Å; V114-F118 VanDerWaalsContact O-N 3.11Å; V114-W140 HydrophobicContact CG1-CD2 3.89Å; V114-W140 HydrophobicContact CG1-CE3 4.21Å; V114-W140 HydrophobicContact CG1-CG 4.09Å |
| 115 | S | 94.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.2 | -47.9 | 175 | 175.5 | 0 | 0 | 0 | 0 | 111.9 | C17 F111 A112 S117 F118 C119 N141 | C17-S115 PolarHBondContact SG-OG 2.94Å; F111-S115 WeakPolarHBondContact O-CB 3.49Å; F111-S115 PolarHBondContact O-N 2.88Å; A112-S115 WeakPolarHBondContact O-CB 3.49Å; A112-S115 PolarHBondContact O-N 3.39Å; S115-S117 VanDerWaalsContact C-N 3.33Å; S115-S117 PolarHBondContact O-N 3.44Å; S115-F118 PolarHBondContact O-N 2.88Å; S115-C119 PolarHBondContact O-N 3.32Å; S115-C119 PolarHBondContact O-SG 3.48Å; S115-C119 VanDerWaalsContact O-SG 3.37Å; S115-N141 VanDerWaalsContact OG-CG 3.3Å; S115-N141 PolarHBondContact OG-ND2 3.44Å; S115-N141 PolarHBondContact OG-OD1 2.88Å; S115-N141 VanDerWaalsContact OG-OD1 3.12Å |
| 116 | L | 95.4 | Very high | 91.8 | Very high | 24 Ų | 24 | 48.4 Ų | 48.4 | 13% | 0.126 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -54.8 | -48 | 175.5 | 174.8 | 59.3 | 0 | 0 | 0 | 111.8 | S14 C17 V18 A112 L113 F118 C119 I120 | S14-L116 VanDerWaalsContact O-CD1 3.29Å; S14-L116 WeakPolarHBondContact O-CD1 3.34Å; C17-L116 HydrophobicContact CB-CB 3.78Å; C17-L116 HydrophobicContact CB-CD1 4.06Å; C17-L116 HydrophobicContact CB-CG 4.47Å; V18-L116 HydrophobicContact CG2-CD1 3.75Å; V18-L116 HydrophobicContact CG2-CD2 3.85Å; V18-L116 HydrophobicContact CG2-CG 4.47Å; A112-L116 WeakPolarHBondContact O-CB 3.47Å; A112-L116 PolarHBondContact O-N 2.96Å; L113-L116 HydrophobicContact CD2-CD2 4.3Å; L113-L116 PolarHBondContact O-N 3.42Å; L116-F118 VanDerWaalsContact C-N 3.29Å; L116-F118 PolarHBondContact O-N 2.99Å; L116-C119 PolarHBondContact O-N 2.88Å; L116-C119 VanDerWaalsContact O-N 3.17Å; L116-I120 HydrophobicContact CD1-CD1 3.78Å; L116-I120 HydrophobicContact CD1-CG1 4.08Å; L116-I120 HydrophobicContact CG-CD1 3.94Å; L116-I120 WeakPolarHBondContact O-CG1 3.27Å; L116-I120 PolarHBondContact O-N 3.44Å |
| 117 | S | 93.4 | Very high | 90 | Very high | 72 Ų | 72 | 46.2 Ų | 46.2 | 50% | 0.503 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.9 | -42.6 | 179.8 | -60.7 | 0 | 0 | 0 | 0 | 111.4 | L113 V114 S115 Y121 | L113-S117 WeakPolarHBondContact O-CB 3.32Å; L113-S117 PolarHBondContact O-N 3.08Å; L113-S117 PolarHBondContact O-OG 3.01Å; V114-S117 WeakPolarHBondContact O-CB 3.37Å; V114-S117 PolarHBondContact O-N 3.01Å; S115-S117 VanDerWaalsContact C-N 3.33Å; S115-S117 PolarHBondContact O-N 3.44Å; S117-Y121 VanDerWaalsContact O-CB 3.28Å; S117-Y121 WeakPolarHBondContact O-CB 3.48Å; S117-Y121 PolarHBondContact O-N 3.48Å |
| 118 | F | 92 | Very high | 88.1 | Confident | 39 Ų | 39 | 51.4 Ų | 51.4 | 17% | 0.171 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -71 | -37 | 175.9 | -65.2 | -35.7 | 0 | 0 | 0 | 113 | V114 S115 L116 Y121 N122 K132 L137 W140 | V114-F118 HydrophobicContact CG1-CD2 3.93Å; V114-F118 HydrophobicContact CG1-CE2 3.39Å; V114-F118 HydrophobicContact CG1-CZ 4.1Å; V114-F118 WeakPolarHBondContact O-CD2 3.19Å; V114-F118 PolarHBondContact O-N 3.28Å; V114-F118 VanDerWaalsContact O-N 3.11Å; S115-F118 PolarHBondContact O-N 2.88Å; L116-F118 VanDerWaalsContact C-N 3.29Å; L116-F118 PolarHBondContact O-N 2.99Å; F118-Y121 PolarHBondContact O-N 3.34Å; F118-N122 WeakPolarHBondContact O-CB 3.44Å; F118-N122 PolarHBondContact O-N 2.95Å; F118-N122 PolarHBondContact O-ND2 3.43Å; F118-K132 HydrophobicContact CD1-CB 4.48Å; F118-K132 HydrophobicContact CD1-CG 4.15Å; F118-K132 HydrophobicContact CE1-CD 4.5Å; F118-K132 HydrophobicContact CE1-CG 3.86Å; F118-K132 HydrophobicContact CZ-CG 4.46Å; F118-L137 HydrophobicContact CB-CD2 3.62Å; F118-W140 AromaticContact CD2-CD1 3.57Å; F118-W140 HydrophobicContact CD2-CG 4.47Å; F118-W140 AromaticContact CD2-NE1 3.72Å; F118-W140 AromaticContact CE2-CD1 3.58Å; F118-W140 AromaticContact CE2-CE2 3.9Å; F118-W140 HydrophobicContact CE2-CG 4.41Å; F118-W140 HydrophobicContact CE2-CZ2 4.49Å; F118-W140 AromaticContact CE2-NE1 3.26Å; F118-W140 VanDerWaalsContact CE2-NE1 3.26Å |
| 119 | C | 91.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.5 | -46.9 | 174.2 | -71.2 | 0 | 0 | 0 | 0 | 111.6 | A13 S14 S115 L116 Y121 N122 A123 L137 | A13-C119 HydrophobicContact CB-CB 4.49Å; S14-C119 WeakPolarHBondContact OG-CB 3.11Å; S115-C119 PolarHBondContact O-N 3.32Å; S115-C119 PolarHBondContact O-SG 3.48Å; S115-C119 VanDerWaalsContact O-SG 3.37Å; L116-C119 PolarHBondContact O-N 2.88Å; L116-C119 VanDerWaalsContact O-N 3.17Å; C119-Y121 VanDerWaalsContact C-N 3.32Å; C119-Y121 PolarHBondContact O-N 2.86Å; C119-N122 PolarHBondContact O-N 2.88Å; C119-A123 PolarHBondContact O-N 3.48Å; C119-L137 VanDerWaalsContact SG-CD2 3.58Å |
| 120 | I | 91.4 | Very high | 84.9 | Confident | 65 Ų | 65 | 63.8 Ų | 63.8 | 33% | 0.333 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.6 | -43.3 | 176.5 | -66.6 | 169.9 | 0 | 0 | 0 | 110.5 | S14 L116 N122 A123 R124 | S14-I120 PolarHBondContact OG-N 2.99Å; L116-I120 HydrophobicContact CD1-CD1 3.78Å; L116-I120 HydrophobicContact CD1-CG1 4.08Å; L116-I120 HydrophobicContact CG-CD1 3.94Å; L116-I120 WeakPolarHBondContact O-CG1 3.27Å; L116-I120 PolarHBondContact O-N 3.44Å; I120-N122 PolarHBondContact O-N 3.5Å; I120-A123 PolarHBondContact O-N 2.93Å; I120-R124 PolarHBondContact O-N 2.95Å |
| 121 | Y | 89.2 | Confident | 83.8 | Confident | 61 Ų | 61 | 67.1 Ų | 67.1 | 24% | 0.239 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.9 | -46.1 | 177.9 | -177.2 | -93 | 0 | 0 | 0 | 112 | S117 F118 C119 A123 R124 K125 Y128 | S117-Y121 VanDerWaalsContact O-CB 3.28Å; S117-Y121 WeakPolarHBondContact O-CB 3.48Å; S117-Y121 PolarHBondContact O-N 3.48Å; F118-Y121 PolarHBondContact O-N 3.34Å; C119-Y121 VanDerWaalsContact C-N 3.32Å; C119-Y121 PolarHBondContact O-N 2.86Å; Y121-A123 VanDerWaalsContact C-N 3.33Å; Y121-A123 PolarHBondContact O-N 3.26Å; Y121-R124 PolarHBondContact O-N 3.16Å; Y121-K125 HydrophobicContact CD2-CD 4.29Å; Y121-K125 HydrophobicContact CE1-CB 4.39Å; Y121-K125 HydrophobicContact CE2-CD 3.62Å; Y121-K125 HydrophobicContact CE2-CG 4.43Å; Y121-K125 PolarHBondContact O-N 3.45Å; Y121-Y128 AromaticContact CE1-CD2 3.65Å; Y121-Y128 HydrophobicContact CE1-CD2 3.65Å; Y121-Y128 HydrophobicContact CE1-CE2 4.12Å; Y121-Y128 AromaticContact CZ-CD2 3.92Å; Y121-Y128 AromaticContact CZ-CE2 3.97Å; Y121-Y128 VanDerWaalsContact OH-CD2 3.29Å; Y121-Y128 WeakPolarHBondContact OH-CD2 3.21Å; Y121-Y128 WeakPolarHBondContact OH-CE2 3.27Å |
| 122 | N | 87.8 | Confident | 82.7 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -71 | -25.2 | 178 | -76.8 | -75.2 | 0 | 0 | 0 | 113.6 | F10 F118 C119 I120 R124 P127 K132 | F10-N122 HydrophobicContact CB-CB 4.46Å; F10-N122 HydrophobicContact CD1-CB 3.9Å; F10-N122 HydrophobicContact CD2-CB 3.82Å; F10-N122 HydrophobicContact CE1-CB 4.07Å; F10-N122 HydrophobicContact CE2-CB 4Å; F10-N122 HydrophobicContact CG-CB 3.8Å; F10-N122 HydrophobicContact CZ-CB 4.13Å; F118-N122 WeakPolarHBondContact O-CB 3.44Å; F118-N122 PolarHBondContact O-N 2.95Å; F118-N122 PolarHBondContact O-ND2 3.43Å; C119-N122 PolarHBondContact O-N 2.88Å; I120-N122 PolarHBondContact O-N 3.5Å; N122-R124 VanDerWaalsContact C-N 3.31Å; N122-P127 WeakPolarHBondContact OD1-CA 3.36Å; N122-K132 PolarHBondContact ND2-O 3.38Å; N122-K132 PolarHBondContact OD1-O 3.16Å |
| 123 | A | 86.8 | Confident | 81.9 | Confident | 8 Ų | 8 | 69.5 Ų | 69.5 | 7% | 0.066 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -69.5 | -30.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F10 C119 I120 Y121 | F10-A123 HydrophobicContact CB-CB 3.92Å; C119-A123 PolarHBondContact O-N 3.48Å; I120-A123 PolarHBondContact O-N 2.93Å; Y121-A123 VanDerWaalsContact C-N 3.33Å; Y121-A123 PolarHBondContact O-N 3.26Å |
| 124 | R | 85.3 | Confident | 81.2 | Confident | 202 Ų | 202 | 68.9 Ų | 68.9 | 76% | 0.762 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -99.1 | -39 | -177.4 | -61.2 | -154.4 | -173.2 | 135.9 | 0.5 | 114.5 | I120 Y121 N122 | I120-R124 PolarHBondContact O-N 2.95Å; Y121-R124 PolarHBondContact O-N 3.16Å; N122-R124 VanDerWaalsContact C-N 3.31Å |
| 125 | K | 78.9 | Confident | 80.8 | Confident | 112 Ų | 112 | 73.5 Ų | 73.5 | 49% | 0.487 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -108.5 | 159.9 | -175.9 | -61.2 | -165.8 | -176.7 | -176 | 0 | 111.3 | Y121 Y128 | Y121-K125 HydrophobicContact CD2-CD 4.29Å; Y121-K125 HydrophobicContact CE1-CB 4.39Å; Y121-K125 HydrophobicContact CE2-CD 3.62Å; Y121-K125 HydrophobicContact CE2-CG 4.43Å; Y121-K125 PolarHBondContact O-N 3.45Å; K125-Y128 HydrophobicContact CB-CE2 4.38Å |
| 126 | V | 64.5 | Low | 80.5 | Confident | 83 Ų | 83 | 73.7 Ų | 73.7 | 50% | 0.503 | 36% | 0.358 | S | S | . | . | trans | -60.6 | 136.5 | 174.6 | -177.5 | 0 | 0 | 0 | 0 | 108.4 | Y128 | V126-Y128 WeakPolarHBondContact O-CD2 3.29Å; V126-Y128 WeakPolarHBondContact O-CE2 3.08Å; V126-Y128 PolarHBondContact O-N 3.35Å; V126-Y128 VanDerWaalsContact O-N 3.08Å | ||
| 127 | P | 60.6 | Low | 80.4 | Confident | 47 Ų | 47 | 72.6 Ų | 72.6 | 31% | 0.305 | 35% | 0.352 | S | S | . | . | trans | -61.7 | 114.8 | -175.5 | 23.1 | -33.8 | 0 | 0 | 0 | 110.7 | N122 | N122-P127 WeakPolarHBondContact OD1-CA 3.36Š| ||
| 128 | Y | 56.8 | Low | 80.4 | Confident | 129 Ų | 129 | 72.2 Ų | 72.2 | 51% | 0.506 | 34% | 0.34 | S | S | . | . | trans | -79.8 | 144.1 | 176 | -73.3 | -93.7 | 0 | 0 | 0 | 110.3 | Y121 K125 V126 G133 | Y121-Y128 AromaticContact CE1-CD2 3.65Å; Y121-Y128 HydrophobicContact CE1-CD2 3.65Å; Y121-Y128 HydrophobicContact CE1-CE2 4.12Å; Y121-Y128 AromaticContact CZ-CD2 3.92Å; Y121-Y128 AromaticContact CZ-CE2 3.97Å; Y121-Y128 VanDerWaalsContact OH-CD2 3.29Å; Y121-Y128 WeakPolarHBondContact OH-CD2 3.21Å; Y121-Y128 WeakPolarHBondContact OH-CE2 3.27Å; K125-Y128 HydrophobicContact CB-CE2 4.38Å; V126-Y128 WeakPolarHBondContact O-CD2 3.29Å; V126-Y128 WeakPolarHBondContact O-CE2 3.08Å; V126-Y128 PolarHBondContact O-N 3.35Å; V126-Y128 VanDerWaalsContact O-N 3.08Å; Y128-G133 WeakPolarHBondContact O-CA 3.39Å; Y128-G133 PolarHBondContact O-N 3.12Å | ||
| 129 | Q | 60.1 | Low | 80.5 | Confident | 189 Ų | 189 | 74.6 Ų | 74.6 | 88% | 0.883 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -69.2 | 149.9 | -176.6 | -70.7 | -174.6 | -18.5 | 0 | 0 | 112.2 | ||
| 130 | S | 69.9 | Low | 80.7 | Confident | 88 Ų | 88 | 77.3 Ų | 77.3 | 62% | 0.615 | 36% | 0.364 | S | S | * | . | S | Bend | trans | 82.1 | -124.7 | 177.8 | -159.1 | 0 | 0 | 0 | 0 | 116.1 | K132 G133 | S130-K132 VanDerWaalsContact C-N 3.34Å; S130-K132 PolarHBondContact O-N 2.78Å; S130-G133 PolarHBondContact O-N 3.29Å; S130-G133 VanDerWaalsContact O-N 3.11Å |
| 131 | I | 73.9 | Confident | 80.9 | Confident | 104 Ų | 104 | 74.3 Ų | 74.3 | 53% | 0.533 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -28.9 | -166.7 | -64.1 | 170.5 | 0 | 0 | 0 | 113.6 | G136 W140 | I131-G136 WeakPolarHBondContact O-CA 3.46Å; I131-W140 HydrophobicContact CG2-CZ2 4.15Å |
| 132 | K | 74 | Confident | 81.3 | Confident | 102 Ų | 102 | 77.6 Ų | 77.6 | 44% | 0.443 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -7.5 | 178.2 | -62.2 | 178.1 | -176.1 | 172.9 | 0 | 112.5 | F118 N122 S130 | F118-K132 HydrophobicContact CD1-CB 4.48Å; F118-K132 HydrophobicContact CD1-CG 4.15Å; F118-K132 HydrophobicContact CE1-CD 4.5Å; F118-K132 HydrophobicContact CE1-CG 3.86Å; F118-K132 HydrophobicContact CZ-CG 4.46Å; N122-K132 PolarHBondContact ND2-O 3.38Å; N122-K132 PolarHBondContact OD1-O 3.16Å; S130-K132 VanDerWaalsContact C-N 3.34Å; S130-K132 PolarHBondContact O-N 2.78Å |
| 133 | G | 81.1 | Confident | 81.7 | Confident | 3 Ų | 3 | 79.5 Ų | 79.5 | 3% | 0.031 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -89.6 | -168.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y128 S130 K135 G136 L137 | Y128-G133 WeakPolarHBondContact O-CA 3.39Å; Y128-G133 PolarHBondContact O-N 3.12Å; S130-G133 PolarHBondContact O-N 3.29Å; S130-G133 VanDerWaalsContact O-N 3.11Å; G133-K135 VanDerWaalsContact C-N 3.26Å; G133-K135 PolarHBondContact O-N 3.07Å; G133-G136 PolarHBondContact O-N 3.48Å; G133-G136 VanDerWaalsContact O-N 3.13Å; G133-L137 PolarHBondContact O-N 3.09Å; G133-L137 VanDerWaalsContact O-N 3.09Å |
| 134 | H | 82.7 | Confident | 82.2 | Confident | 67 Ų | 67 | 79.1 Ų | 79.1 | 31% | 0.31 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -56.5 | -34.2 | -179.6 | 47.4 | 67.6 | 0 | 0 | 0 | 114.1 | L137 Y138 V206 R210 | H134-L137 PolarHBondContact O-N 3.24Å; H134-Y138 WeakPolarHBondContact O-CD2 3.34Å; H134-Y138 PolarHBondContact O-N 3.48Å; H134-Y138 VanDerWaalsContact O-N 3.16Å; H134-V206 HydrophobicContact CB-CG1 3.93Å; H134-R210 PolarHBondContact ND1-NH2 2.89Å |
| 135 | K | 86.6 | Confident | 82.8 | Confident | 149 Ų | 149 | 69.8 Ų | 69.8 | 65% | 0.648 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -65.1 | -43 | 178.4 | -70.8 | -173.4 | -179.6 | -176.9 | 0 | 111.3 | G133 Y138 L139 | G133-K135 VanDerWaalsContact C-N 3.26Å; G133-K135 PolarHBondContact O-N 3.07Å; K135-Y138 PolarHBondContact O-N 3.32Å; K135-L139 PolarHBondContact O-N 2.84Å |
| 136 | G | 89.4 | Confident | 83.8 | Confident | 4 Ų | 4 | 68.2 Ų | 68.2 | 4% | 0.041 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.8 | -38.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I131 G133 Y138 L139 W140 | I131-G136 WeakPolarHBondContact O-CA 3.46Å; G133-G136 PolarHBondContact O-N 3.48Å; G133-G136 VanDerWaalsContact O-N 3.13Å; G136-Y138 VanDerWaalsContact C-N 3.28Å; G136-Y138 PolarHBondContact O-N 2.87Å; G136-L139 WeakPolarHBondContact O-CB 3.47Å; G136-L139 PolarHBondContact O-N 2.81Å; G136-W140 PolarHBondContact O-N 2.89Å |
| 137 | L | 92.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.1 | -39.8 | 174.5 | -71.8 | 175.4 | 0 | 0 | 0 | 112.3 | F10 F118 C119 G133 H134 N141 V206 | F10-L137 HydrophobicContact CD1-CD1 4.03Å; F10-L137 HydrophobicContact CE1-CD1 3.55Å; F118-L137 HydrophobicContact CB-CD2 3.62Å; C119-L137 VanDerWaalsContact SG-CD2 3.58Å; G133-L137 PolarHBondContact O-N 3.09Å; G133-L137 VanDerWaalsContact O-N 3.09Å; H134-L137 PolarHBondContact O-N 3.24Å; L137-N141 WeakPolarHBondContact O-CB 3.29Å; L137-N141 PolarHBondContact O-N 2.92Å; L137-N141 VanDerWaalsContact O-N 3.14Å; L137-N141 PolarHBondContact O-ND2 3.29Å; L137-V206 HydrophobicContact CB-CG1 4.34Å; L137-V206 HydrophobicContact CB-CG2 4.38Å; L137-V206 HydrophobicContact CD1-CG1 4.25Å; L137-V206 HydrophobicContact CD1-CG2 3.95Å |
| 138 | Y | 93.4 | Very high | 87.2 | Confident | 65 Ų | 65 | 64.9 Ų | 64.9 | 26% | 0.255 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.3 | -44.5 | 172.2 | -65.8 | -52.1 | 0 | 0 | 0 | 112.4 | H134 K135 G136 F142 C203 V206 A207 | H134-Y138 WeakPolarHBondContact O-CD2 3.34Å; H134-Y138 PolarHBondContact O-N 3.48Å; H134-Y138 VanDerWaalsContact O-N 3.16Å; K135-Y138 PolarHBondContact O-N 3.32Å; G136-Y138 VanDerWaalsContact C-N 3.28Å; G136-Y138 PolarHBondContact O-N 2.87Å; Y138-F142 WeakPolarHBondContact O-CB 3.29Å; Y138-F142 PolarHBondContact O-N 3.33Å; Y138-C203 HydrophobicContact CD1-CB 3.86Å; Y138-C203 HydrophobicContact CE1-CB 3.91Å; Y138-C203 WeakPolarHBondContact CE1-O 3.39Å; Y138-V206 HydrophobicContact CE1-CB 4.26Å; Y138-V206 HydrophobicContact CE1-CG1 4.17Å; Y138-V206 HydrophobicContact CE2-CG1 4.48Å; Y138-A207 WeakPolarHBondContact OH-CA 3.15Å; Y138-A207 WeakPolarHBondContact OH-CB 3.39Å; Y138-A207 PolarHBondContact OH-N 3.18Å |
| 139 | L | 94.3 | Very high | 89.1 | Confident | 89 Ų | 89 | 60.2 Ų | 60.2 | 47% | 0.466 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.1 | -51.4 | 179.6 | -179.9 | 64.6 | 0 | 0 | 0 | 111.8 | K135 G136 F142 I143 | K135-L139 PolarHBondContact O-N 2.84Å; G136-L139 WeakPolarHBondContact O-CB 3.47Å; G136-L139 PolarHBondContact O-N 2.81Å; L139-F142 PolarHBondContact O-N 3.03Å; L139-I143 HydrophobicContact CD1-CD1 3.95Å; L139-I143 HydrophobicContact CD1-CG1 4.36Å; L139-I143 HydrophobicContact CG-CD1 3.94Å; L139-I143 VanDerWaalsContact O-CG1 3.29Å; L139-I143 WeakPolarHBondContact O-CG1 3.28Å; L139-I143 PolarHBondContact O-N 2.85Å |
| 140 | W | 95 | Very high | 90.9 | Very high | 57 Ų | 57 | 54.2 Ų | 54.2 | 22% | 0.216 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.6 | -38.6 | -176.5 | -60 | 117.5 | 0 | 0 | 0 | 112.5 | F111 V114 F118 I131 G136 I143 A144 | F111-W140 AromaticContact CD1-CE3 3.83Å; F111-W140 HydrophobicContact CD1-CE3 3.83Å; F111-W140 HydrophobicContact CD1-CZ3 4.02Å; F111-W140 HydrophobicContact CE1-CE3 4.2Å; F111-W140 AromaticContact CE1-CZ3 3.94Å; F111-W140 HydrophobicContact CE1-CZ3 3.94Å; V114-W140 HydrophobicContact CG1-CD2 3.89Å; V114-W140 HydrophobicContact CG1-CE3 4.21Å; V114-W140 HydrophobicContact CG1-CG 4.09Å; F118-W140 AromaticContact CD2-CD1 3.57Å; F118-W140 HydrophobicContact CD2-CG 4.47Å; F118-W140 AromaticContact CD2-NE1 3.72Å; F118-W140 AromaticContact CE2-CD1 3.58Å; F118-W140 AromaticContact CE2-CE2 3.9Å; F118-W140 HydrophobicContact CE2-CG 4.41Å; F118-W140 HydrophobicContact CE2-CZ2 4.49Å; F118-W140 AromaticContact CE2-NE1 3.26Å; F118-W140 VanDerWaalsContact CE2-NE1 3.26Å; I131-W140 HydrophobicContact CG2-CZ2 4.15Å; G136-W140 PolarHBondContact O-N 2.89Å; W140-I143 HydrophobicContact CE3-CD1 4.24Å; W140-I143 HydrophobicContact CZ3-CD1 4.42Å; W140-A144 WeakPolarHBondContact O-CB 3.19Å; W140-A144 PolarHBondContact O-N 2.89Å |
| 141 | N | 96.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -70 | -34.3 | 174.1 | -75.2 | -73.5 | 0 | 0 | 0 | 112.3 | S115 L137 A144 A145 H199 V202 | S115-N141 VanDerWaalsContact OG-CG 3.3Å; S115-N141 PolarHBondContact OG-ND2 3.44Å; S115-N141 PolarHBondContact OG-OD1 2.88Å; S115-N141 VanDerWaalsContact OG-OD1 3.12Å; L137-N141 WeakPolarHBondContact O-CB 3.29Å; L137-N141 PolarHBondContact O-N 2.92Å; L137-N141 VanDerWaalsContact O-N 3.14Å; L137-N141 PolarHBondContact O-ND2 3.29Å; N141-A144 PolarHBondContact O-N 3.13Å; N141-A145 VanDerWaalsContact O-CB 3.23Å; N141-A145 WeakPolarHBondContact O-CB 3.23Å; N141-A145 PolarHBondContact O-N 3.38Å; N141-H199 HydrophobicContact CB-CB 4.23Å; N141-H199 PolarHBondContact OD1-ND1 2.91Å; N141-V202 VanDerWaalsContact ND2-CG1 3.3Å; N141-V202 WeakPolarHBondContact ND2-CG1 3.47Å |
| 142 | F | 96.8 | Very high | 93.4 | Very high | 130 Ų | 130 | 45.6 Ų | 45.6 | 57% | 0.57 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -64.5 | -46.3 | 174.1 | 176.7 | -98.4 | 0 | 0 | 0 | 111.6 | Y138 L139 A145 L146 | Y138-F142 WeakPolarHBondContact O-CB 3.29Å; Y138-F142 PolarHBondContact O-N 3.33Å; L139-F142 PolarHBondContact O-N 3.03Å; F142-A145 PolarHBondContact O-N 3.36Å; F142-L146 WeakPolarHBondContact O-CB 3.35Å; F142-L146 PolarHBondContact O-N 3.38Å |
| 143 | I | 97.1 | Very high | 94.5 | Very high | 40 Ų | 40 | 45.8 Ų | 45.8 | 21% | 0.205 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.7 | -44.5 | 176.7 | -63.5 | 167.1 | 0 | 0 | 0 | 110.2 | F111 L139 W140 A145 L146 F147 | F111-I143 HydrophobicContact CD1-CG2 4.04Å; F111-I143 HydrophobicContact CD2-CG2 3.52Å; F111-I143 HydrophobicContact CE1-CG2 3.99Å; F111-I143 HydrophobicContact CE2-CG2 3.47Å; F111-I143 VanDerWaalsContact CE2-CG2 3.47Å; F111-I143 HydrophobicContact CG-CB 4.49Å; F111-I143 HydrophobicContact CG-CG2 3.83Å; F111-I143 HydrophobicContact CZ-CG2 3.71Å; L139-I143 HydrophobicContact CD1-CD1 3.95Å; L139-I143 HydrophobicContact CD1-CG1 4.36Å; L139-I143 HydrophobicContact CG-CD1 3.94Å; L139-I143 VanDerWaalsContact O-CG1 3.29Å; L139-I143 WeakPolarHBondContact O-CG1 3.28Å; L139-I143 PolarHBondContact O-N 2.85Å; W140-I143 HydrophobicContact CE3-CD1 4.24Å; W140-I143 HydrophobicContact CZ3-CD1 4.42Å; I143-A145 PolarHBondContact O-N 3.43Å; I143-L146 PolarHBondContact O-N 2.97Å; I143-F147 HydrophobicContact CG2-CD2 3.89Å; I143-F147 HydrophobicContact CG2-CE2 3.96Å; I143-F147 WeakPolarHBondContact O-CD2 3.05Å; I143-F147 PolarHBondContact O-N 2.94Å |
| 144 | A | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.7 | -44.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F111 W140 N141 L146 F147 G148 H199 | F111-A144 HydrophobicContact CB-CB 3.69Å; W140-A144 WeakPolarHBondContact O-CB 3.19Å; W140-A144 PolarHBondContact O-N 2.89Å; N141-A144 PolarHBondContact O-N 3.13Å; A144-L146 PolarHBondContact O-N 2.97Å; A144-F147 PolarHBondContact O-N 3.05Å; A144-G148 PolarHBondContact O-N 3.02Å; A144-H199 VanDerWaalsContact CB-CE1 3.4Å; A144-H199 WeakPolarHBondContact CB-CE1 3.38Å; A144-H199 WeakPolarHBondContact CB-NE2 3.46Å |
| 145 | A | 98.1 | Very high | 95.9 | Very high | 7 Ų | 7 | 43.7 Ų | 43.7 | 6% | 0.058 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.1 | -42 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | N141 F142 I143 G148 A149 V196 H199 | N141-A145 VanDerWaalsContact O-CB 3.23Å; N141-A145 WeakPolarHBondContact O-CB 3.23Å; N141-A145 PolarHBondContact O-N 3.38Å; F142-A145 PolarHBondContact O-N 3.36Å; I143-A145 PolarHBondContact O-N 3.43Å; A145-G148 PolarHBondContact O-N 2.9Å; A145-A149 WeakPolarHBondContact O-CB 3.13Å; A145-A149 PolarHBondContact O-N 2.99Å; A145-V196 HydrophobicContact CB-CG1 4.5Å; A145-H199 HydrophobicContact CB-CB 3.84Å |
| 146 | L | 98.3 | Very high | 96.4 | Very high | 78 Ų | 78 | 39.3 Ų | 39.3 | 41% | 0.408 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.6 | -49 | 177.6 | 178.5 | 63 | 0 | 0 | 0 | 111.1 | F142 I143 A144 A149 L150 | F142-L146 WeakPolarHBondContact O-CB 3.35Å; F142-L146 PolarHBondContact O-N 3.38Å; I143-L146 PolarHBondContact O-N 2.97Å; A144-L146 PolarHBondContact O-N 2.97Å; L146-A149 PolarHBondContact O-N 2.85Å; L146-L150 HydrophobicContact CD1-CD1 4.23Å; L146-L150 HydrophobicContact CD1-CG 4.27Å; L146-L150 HydrophobicContact CG-CD1 4.13Å; L146-L150 WeakPolarHBondContact O-CB 3.43Å; L146-L150 VanDerWaalsContact O-CG 3.27Å; L146-L150 WeakPolarHBondContact O-CG 3.48Å; L146-L150 PolarHBondContact O-N 3.45Å |
| 147 | F | 98.2 | Very high | 96.7 | Very high | 59 Ų | 59 | 40.6 Ų | 40.6 | 26% | 0.259 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.9 | -45.1 | 176.7 | -89.5 | -111.2 | 0 | 0 | 0 | 111.4 | F104 A108 F111 I143 A144 A149 L150 G151 | F104-F147 WeakPolarHBondContact CB-O 3.14Å; F104-F147 AromaticContact CD1-CD1 3.89Å; F104-F147 HydrophobicContact CD1-CD1 3.89Å; F104-F147 HydrophobicContact CD1-CE1 4.03Å; A108-F147 HydrophobicContact CB-CB 3.99Å; F111-F147 HydrophobicContact CD2-CD2 4.42Å; F111-F147 HydrophobicContact CD2-CG 4.47Å; F111-F147 HydrophobicContact CE2-CD1 4.44Å; F111-F147 HydrophobicContact CE2-CD2 4.14Å; F111-F147 HydrophobicContact CE2-CE1 4.31Å; F111-F147 AromaticContact CE2-CE2 3.98Å; F111-F147 HydrophobicContact CE2-CE2 3.98Å; F111-F147 HydrophobicContact CE2-CG 4.37Å; F111-F147 HydrophobicContact CE2-CZ 4.08Å; I143-F147 HydrophobicContact CG2-CD2 3.89Å; I143-F147 HydrophobicContact CG2-CE2 3.96Å; I143-F147 WeakPolarHBondContact O-CD2 3.05Å; I143-F147 PolarHBondContact O-N 2.94Å; A144-F147 PolarHBondContact O-N 3.05Å; F147-A149 PolarHBondContact O-N 2.95Å; F147-L150 PolarHBondContact O-N 3.28Å; F147-G151 PolarHBondContact O-N 3.2Å |
| 148 | G | 98.1 | Very high | 96.8 | Very high | 2 Ų | 2 | 41 Ų | 41 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.7 | -45.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A144 A145 G151 V152 V196 | A144-G148 PolarHBondContact O-N 3.02Å; A145-G148 PolarHBondContact O-N 2.9Å; G148-G151 PolarHBondContact O-N 3.31Å; G148-V152 WeakPolarHBondContact O-CG2 3.32Å; G148-V152 PolarHBondContact O-N 3.01Å; G148-V196 VanDerWaalsContact C-CG2 3.49Å |
| 149 | A | 98.3 | Very high | 96.8 | Very high | 30 Ų | 30 | 38.2 Ų | 38.2 | 25% | 0.248 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.4 | -44.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A145 L146 F147 G151 V152 L153 V196 | A145-A149 WeakPolarHBondContact O-CB 3.13Å; A145-A149 PolarHBondContact O-N 2.99Å; L146-A149 PolarHBondContact O-N 2.85Å; F147-A149 PolarHBondContact O-N 2.95Å; A149-G151 PolarHBondContact O-N 2.86Å; A149-V152 PolarHBondContact O-N 2.85Å; A149-L153 VanDerWaalsContact O-CB 3.27Å; A149-L153 WeakPolarHBondContact O-CB 3.48Å; A149-L153 WeakPolarHBondContact O-CG 3.23Å; A149-L153 PolarHBondContact O-N 2.85Å; A149-V196 HydrophobicContact CB-CG1 4.33Å; A149-V196 HydrophobicContact CB-CG2 4.37Å |
| 150 | L | 98.2 | Very high | 96.8 | Very high | 64 Ų | 64 | 39.3 Ų | 39.3 | 34% | 0.335 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60 | -44.6 | 175.3 | -72.3 | 173.6 | 0 | 0 | 0 | 111.3 | F104 L146 F147 L153 C154 | F104-L150 HydrophobicContact CD2-CB 3.77Å; F104-L150 HydrophobicContact CE1-CD1 4.46Å; F104-L150 HydrophobicContact CE2-CB 3.98Å; F104-L150 HydrophobicContact CG-CB 4.15Å; F104-L150 HydrophobicContact CZ-CD1 4.38Å; L146-L150 HydrophobicContact CD1-CD1 4.23Å; L146-L150 HydrophobicContact CD1-CG 4.27Å; L146-L150 HydrophobicContact CG-CD1 4.13Å; L146-L150 WeakPolarHBondContact O-CB 3.43Å; L146-L150 VanDerWaalsContact O-CG 3.27Å; L146-L150 WeakPolarHBondContact O-CG 3.48Å; L146-L150 PolarHBondContact O-N 3.45Å; F147-L150 PolarHBondContact O-N 3.28Å; L150-L153 PolarHBondContact O-N 3.34Å; L150-C154 VanDerWaalsContact O-CB 3.23Å; L150-C154 WeakPolarHBondContact O-CB 3.48Å; L150-C154 PolarHBondContact O-N 2.82Å; L150-C154 PolarHBondContact O-SG 2.87Å |
| 151 | G | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59 | -49.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | F147 G148 A149 F155 | F147-G151 PolarHBondContact O-N 3.2Å; G148-G151 PolarHBondContact O-N 3.31Å; A149-G151 PolarHBondContact O-N 2.86Å; G151-F155 PolarHBondContact O-N 2.9Å; G151-F155 VanDerWaalsContact O-N 3.08Å |
| 152 | V | 97.8 | Very high | 96.3 | Very high | 11 Ų | 11 | 47.2 Ų | 47.2 | 7% | 0.067 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.9 | -44.4 | 178.5 | 170.6 | 0 | 0 | 0 | 0 | 111.7 | G148 A149 F155 L156 F189 V193 | G148-V152 WeakPolarHBondContact O-CG2 3.32Å; G148-V152 PolarHBondContact O-N 3.01Å; A149-V152 PolarHBondContact O-N 2.85Å; V152-F155 PolarHBondContact O-N 2.83Å; V152-L156 WeakPolarHBondContact O-CB 3.47Å; V152-L156 PolarHBondContact O-N 2.84Å; V152-F189 HydrophobicContact CG1-CD2 4.47Å; V152-F189 HydrophobicContact CG1-CE1 4.29Å; V152-F189 HydrophobicContact CG1-CE2 3.56Å; V152-F189 HydrophobicContact CG1-CZ 3.44Å; V152-F189 VanDerWaalsContact CG1-CZ 3.44Å; V152-V193 HydrophobicContact CG1-CG2 3.76Å |
| 153 | L | 97.6 | Very high | 96 | Very high | 105 Ų | 105 | 48.6 Ų | 48.6 | 55% | 0.55 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -68.4 | -40.2 | 179.7 | -71.4 | 172.4 | 0 | 0 | 0 | 112.1 | A149 L150 F155 L156 A157 | A149-L153 VanDerWaalsContact O-CB 3.27Å; A149-L153 WeakPolarHBondContact O-CB 3.48Å; A149-L153 WeakPolarHBondContact O-CG 3.23Å; A149-L153 PolarHBondContact O-N 2.85Å; L150-L153 PolarHBondContact O-N 3.34Å; L153-F155 VanDerWaalsContact C-N 3.31Å; L153-F155 PolarHBondContact O-N 2.88Å; L153-L156 PolarHBondContact O-N 2.77Å; L153-A157 WeakPolarHBondContact O-CB 3.38Å; L153-A157 PolarHBondContact O-N 3.45Å |
| 154 | C | 96.7 | Very high | 95.8 | Very high | 27 Ų | 27 | 47.2 Ų | 47.2 | 18% | 0.182 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61 | -41.3 | 173.9 | -76.6 | 0 | 0 | 0 | 0 | 111.3 | L97 V101 L150 A157 A158 | L97-C154 HydrophobicContact CD1-CB 3.95Å; V101-C154 HydrophobicContact CG2-CB 3.56Å; L150-C154 VanDerWaalsContact O-CB 3.23Å; L150-C154 WeakPolarHBondContact O-CB 3.48Å; L150-C154 PolarHBondContact O-N 2.82Å; L150-C154 PolarHBondContact O-SG 2.87Å; C154-A157 PolarHBondContact O-N 3.33Å; C154-A158 WeakPolarHBondContact O-CB 3.49Å; C154-A158 PolarHBondContact O-N 3.5Å |
| 155 | F | 96.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.7 | -44.8 | 175.6 | -175 | -92.8 | 0 | 0 | 0 | 111.6 | W33 V34 Y63 L65 V101 G151 V152 L153 A157 A158 V159 L164 L185 F189 | W33-F155 HydrophobicContact CB-CE1 4.01Å; W33-F155 HydrophobicContact CB-CZ 3.74Å; W33-F155 HydrophobicContact CD2-CE1 4.42Å; W33-F155 HydrophobicContact CD2-CZ 4.38Å; W33-F155 AromaticContact CE3-CD1 3.55Å; W33-F155 HydrophobicContact CE3-CD1 3.55Å; W33-F155 HydrophobicContact CE3-CD2 4.05Å; W33-F155 AromaticContact CE3-CE1 3.63Å; W33-F155 HydrophobicContact CE3-CE1 3.63Å; W33-F155 HydrophobicContact CE3-CE2 4.12Å; W33-F155 AromaticContact CE3-CG 3.75Å; W33-F155 HydrophobicContact CE3-CG 3.75Å; W33-F155 AromaticContact CE3-CZ 3.92Å; W33-F155 HydrophobicContact CE3-CZ 3.92Å; W33-F155 HydrophobicContact CG-CZ 4.35Å; W33-F155 HydrophobicContact CZ3-CB 4.16Å; W33-F155 AromaticContact CZ3-CD1 3.98Å; W33-F155 HydrophobicContact CZ3-CD1 3.98Å; W33-F155 HydrophobicContact CZ3-CD2 4.37Å; W33-F155 AromaticContact CZ3-CG 3.9Å; W33-F155 HydrophobicContact CZ3-CG 3.9Å; V34-F155 HydrophobicContact CG2-CE1 3.73Å; V34-F155 HydrophobicContact CG2-CZ 3.8Å; Y63-F155 HydrophobicContact CE2-CZ 4.16Å; L65-F155 HydrophobicContact CD2-CD2 3.69Å; L65-F155 HydrophobicContact CD2-CE2 3.83Å; V101-F155 HydrophobicContact CG1-CB 4.06Å; V101-F155 HydrophobicContact CG1-CD2 4.43Å; V101-F155 HydrophobicContact CG2-CB 4.04Å; G151-F155 PolarHBondContact O-N 2.9Å; G151-F155 VanDerWaalsContact O-N 3.08Å; V152-F155 PolarHBondContact O-N 2.83Å; L153-F155 VanDerWaalsContact C-N 3.31Å; L153-F155 PolarHBondContact O-N 2.88Å; F155-A157 VanDerWaalsContact C-N 3.29Å; F155-A157 PolarHBondContact O-N 2.9Å; F155-A158 WeakPolarHBondContact O-CB 3.28Å; F155-A158 PolarHBondContact O-N 3.29Å; F155-A158 VanDerWaalsContact O-N 3.08Å; F155-V159 HydrophobicContact CD1-CG2 4.11Å; F155-V159 HydrophobicContact CE1-CG2 3.65Å; F155-V159 HydrophobicContact CZ-CG2 4.01Å; F155-V159 PolarHBondContact O-N 2.85Å; F155-L164 HydrophobicContact CE2-CD2 4.03Å; F155-L164 HydrophobicContact CZ-CD2 4.38Å; F155-L185 HydrophobicContact CE1-CD2 4.35Å; F155-F189 AromaticContact CD1-CD2 3.84Å; F155-F189 HydrophobicContact CD1-CD2 3.84Å; F155-F189 HydrophobicContact CD1-CE2 4.12Å; F155-F189 HydrophobicContact CE1-CD2 4.3Å |
| 156 | L | 96.7 | Very high | 95.4 | Very high | 56 Ų | 56 | 50 Ų | 50 | 29% | 0.293 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58.8 | -43 | 176.4 | -177.5 | 62.9 | 0 | 0 | 0 | 111.5 | V152 L153 A158 V159 K160 L185 F189 | V152-L156 WeakPolarHBondContact O-CB 3.47Å; V152-L156 PolarHBondContact O-N 2.84Å; L153-L156 PolarHBondContact O-N 2.77Å; L156-A158 VanDerWaalsContact C-N 3.34Å; L156-V159 PolarHBondContact O-N 3.48Å; L156-K160 HydrophobicContact CD1-CG 4.09Å; L156-K160 PolarHBondContact O-N 2.93Å; L156-L185 HydrophobicContact CD1-CD1 3.67Å; L156-F189 HydrophobicContact CB-CE2 4.43Å |
| 157 | A | 95 | Very high | 95.1 | Very high | 31 Ų | 31 | 51.2 Ų | 51.2 | 26% | 0.256 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.8 | -38 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | L153 C154 F155 V159 H161 H162 | L153-A157 WeakPolarHBondContact O-CB 3.38Å; L153-A157 PolarHBondContact O-N 3.45Å; C154-A157 PolarHBondContact O-N 3.33Å; F155-A157 VanDerWaalsContact C-N 3.29Å; F155-A157 PolarHBondContact O-N 2.9Å; A157-V159 VanDerWaalsContact C-N 3.33Å; A157-V159 PolarHBondContact O-N 3.36Å; A157-H161 WeakPolarHBondContact O-CA 3.46Å; A157-H161 WeakPolarHBondContact O-CB 3.47Å; A157-H161 PolarHBondContact O-N 3.44Å; A157-H162 PolarHBondContact O-N 2.74Å |
| 158 | A | 94.1 | Very high | 94.9 | Very high | 9 Ų | 9 | 48.4 Ų | 48.4 | 7% | 0.074 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.6 | -45.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L97 C154 F155 L156 H162 R163 L164 | L97-A158 HydrophobicContact CD2-CB 3.73Å; L97-A158 HydrophobicContact CG-CB 4.46Å; C154-A158 WeakPolarHBondContact O-CB 3.49Å; C154-A158 PolarHBondContact O-N 3.5Å; F155-A158 WeakPolarHBondContact O-CB 3.28Å; F155-A158 PolarHBondContact O-N 3.29Å; F155-A158 VanDerWaalsContact O-N 3.08Å; L156-A158 VanDerWaalsContact C-N 3.34Å; A158-H162 CarbonylContact O-C 3.57Å; A158-H162 WeakPolarHBondContact O-CA 3.38Å; A158-H162 WeakPolarHBondContact O-CB 3.11Å; A158-H162 PolarHBondContact O-N 3.3Å; A158-R163 PolarHBondContact O-N 3.33Å; A158-L164 HydrophobicContact CB-CB 4.42Å; A158-L164 HydrophobicContact CB-CD2 3.99Å; A158-L164 WeakPolarHBondContact O-CB 3.02Å; A158-L164 PolarHBondContact O-N 3.25Å; A158-L164 VanDerWaalsContact O-N 3.16Å |
| 159 | V | 94.3 | Very high | 94.6 | Very high | 6 Ų | 6 | 48.3 Ų | 48.3 | 4% | 0.036 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.9 | -57.1 | 176.9 | 176.4 | 0 | 0 | 0 | 0 | 111.3 | V34 F155 L156 A157 L164 | V34-V159 HydrophobicContact CG2-CG2 3.9Å; F155-V159 HydrophobicContact CD1-CG2 4.11Å; F155-V159 HydrophobicContact CE1-CG2 3.65Å; F155-V159 HydrophobicContact CZ-CG2 4.01Å; F155-V159 PolarHBondContact O-N 2.85Å; L156-V159 PolarHBondContact O-N 3.48Å; A157-V159 VanDerWaalsContact C-N 3.33Å; A157-V159 PolarHBondContact O-N 3.36Å; V159-L164 HydrophobicContact CG2-CB 4.47Å; V159-L164 HydrophobicContact CG2-CD2 4.06Å |
| 160 | K | 93.5 | Very high | 94.4 | Very high | 112 Ų | 112 | 48.9 Ų | 48.9 | 49% | 0.487 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -83.3 | -32.1 | -168.2 | -64.2 | -59.8 | -179.8 | -168.2 | 0 | 114.8 | L156 D183 | L156-K160 HydrophobicContact CD1-CG 4.09Å; L156-K160 PolarHBondContact O-N 2.93Å; K160-D183 IonicContact NZ-OD1 2.82Å; K160-D183 PolarHBondContact NZ-OD1 2.82Å |
| 161 | H | 91.1 | Very high | 94 | Very high | 152 Ų | 152 | 48.9 Ų | 48.9 | 70% | 0.704 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -103.9 | -29.9 | -178 | -63.6 | -65.3 | 0 | 0 | 0 | 113.6 | A157 | A157-H161 WeakPolarHBondContact O-CA 3.46Å; A157-H161 WeakPolarHBondContact O-CB 3.47Å; A157-H161 PolarHBondContact O-N 3.44Å |
| 162 | H | 90.6 | Very high | 93.4 | Very high | 73 Ų | 73 | 51.9 Ų | 51.9 | 34% | 0.338 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -102.3 | 7.6 | -178.7 | -67 | -71.1 | 0 | 0 | 0 | 114.5 | A157 A158 L164 R167 | A157-H162 PolarHBondContact O-N 2.74Å; A158-H162 CarbonylContact O-C 3.57Å; A158-H162 WeakPolarHBondContact O-CA 3.38Å; A158-H162 WeakPolarHBondContact O-CB 3.11Å; A158-H162 PolarHBondContact O-N 3.3Å; H162-L164 PolarHBondContact O-N 3.35Å; H162-R167 PolarHBondContact O-NE 3.14Å; H162-R167 VanDerWaalsContact O-NE 3.09Å; H162-R167 PolarHBondContact O-NH2 3.35Å |
| 163 | R | 90.9 | Very high | 93 | Very high | 159 Ų | 159 | 53 Ų | 53 | 60% | 0.6 | 27% | 0.267 | S | S | * | . | trans | 52.7 | 43 | 178.2 | -55.3 | 175.4 | 74 | 159.8 | -2.2 | 111.3 | A158 T165 E166 R167 | A158-R163 PolarHBondContact O-N 3.33Å; R163-T165 VanDerWaalsContact C-N 3.3Å; R163-T165 PolarHBondContact O-N 3.08Å; R163-E166 HydrophobicContact CB-CB 4.35Å; R163-E166 IonicContact CZ-OE2 3.05Å; R163-E166 IonicContact NE-OE2 2.67Å; R163-E166 PolarHBondContact NE-OE2 2.96Å; R163-E166 IonicContact NH2-OE1 3.31Å; R163-E166 PolarHBondContact NH2-OE1 3.05Å; R163-E166 IonicContact NH2-OE2 2.75Å; R163-E166 PolarHBondContact NH2-OE2 3.03Å; R163-E166 PolarHBondContact O-N 2.87Å; R163-R167 PolarHBondContact O-N 2.86Å | ||
| 164 | L | 92.5 | Very high | 92.4 | Very high | 10 Ų | 10 | 55.8 Ų | 55.8 | 5% | 0.052 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -53.5 | -47 | -175.3 | 176.1 | 61.6 | 0 | 0 | 0 | 111.8 | Y63 L93 F155 A158 V159 H162 E166 R167 V168 | Y63-L164 HydrophobicContact CE2-CD2 3.99Å; Y63-L164 HydrophobicContact CE2-CG 4.25Å; L93-L164 HydrophobicContact CD1-CD1 3.73Å; L93-L164 HydrophobicContact CD2-CD1 3.46Å; L93-L164 VanDerWaalsContact CD2-CD1 3.46Å; L93-L164 HydrophobicContact CG-CD1 4.1Å; F155-L164 HydrophobicContact CE2-CD2 4.03Å; F155-L164 HydrophobicContact CZ-CD2 4.38Å; A158-L164 HydrophobicContact CB-CB 4.42Å; A158-L164 HydrophobicContact CB-CD2 3.99Å; A158-L164 WeakPolarHBondContact O-CB 3.02Å; A158-L164 PolarHBondContact O-N 3.25Å; A158-L164 VanDerWaalsContact O-N 3.16Å; V159-L164 HydrophobicContact CG2-CB 4.47Å; V159-L164 HydrophobicContact CG2-CD2 4.06Å; H162-L164 PolarHBondContact O-N 3.35Å; L164-E166 VanDerWaalsContact C-N 3.27Å; L164-E166 PolarHBondContact O-N 2.85Å; L164-R167 PolarHBondContact O-N 3.45Å; L164-V168 HydrophobicContact CD1-CG2 3.85Å; L164-V168 HydrophobicContact CG-CG2 4.19Å; L164-V168 VanDerWaalsContact O-CG2 3.3Å; L164-V168 WeakPolarHBondContact O-CG2 3.45Å; L164-V168 PolarHBondContact O-N 3.46Å |
| 165 | T | 93.6 | Very high | 91.8 | Very high | 3 Ų | 3 | 61.2 Ų | 61.2 | 2% | 0.018 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -55.3 | -42.2 | -178.9 | -46.3 | 0 | 0 | 0 | 0 | 112 | I61 Y63 R163 V168 A169 V180 D183 | I61-T165 HydrophobicContact CG2-CG2 4.37Å; Y63-T165 HydrophobicContact CE1-CG2 4.18Å; Y63-T165 PolarHBondContact OH-OG1 3.16Å; Y63-T165 VanDerWaalsContact OH-OG1 3.14Å; R163-T165 VanDerWaalsContact C-N 3.3Å; R163-T165 PolarHBondContact O-N 3.08Å; T165-V168 PolarHBondContact O-N 3.08Å; T165-A169 VanDerWaalsContact O-CB 3.3Å; T165-A169 WeakPolarHBondContact O-CB 3.45Å; T165-A169 PolarHBondContact O-N 3.24Å; T165-V180 HydrophobicContact CG2-CB 4.48Å; T165-V180 HydrophobicContact CG2-CG1 3.78Å; T165-V180 HydrophobicContact CG2-CG2 3.83Å; T165-D183 WeakPolarHBondContact CB-OD2 3.3Å; T165-D183 HydrophobicContact CG2-CB 4.07Å; T165-D183 PolarHBondContact OG1-OD2 3.46Å |
| 166 | E | 92.9 | Very high | 91.5 | Very high | 64 Ų | 64 | 63 Ų | 63 | 30% | 0.299 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -68.7 | -41 | -179.6 | -173.5 | 175.4 | 179.1 | 0 | 0 | 112.3 | R163 L164 A169 N170 V180 | R163-E166 HydrophobicContact CB-CB 4.35Å; R163-E166 IonicContact CZ-OE2 3.05Å; R163-E166 IonicContact NE-OE2 2.67Å; R163-E166 PolarHBondContact NE-OE2 2.96Å; R163-E166 IonicContact NH2-OE1 3.31Å; R163-E166 PolarHBondContact NH2-OE1 3.05Å; R163-E166 IonicContact NH2-OE2 2.75Å; R163-E166 PolarHBondContact NH2-OE2 3.03Å; R163-E166 PolarHBondContact O-N 2.87Å; L164-E166 VanDerWaalsContact C-N 3.27Å; L164-E166 PolarHBondContact O-N 2.85Å; E166-A169 PolarHBondContact O-N 2.84Å; E166-N170 PolarHBondContact O-N 2.87Å; E166-N170 PolarHBondContact O-ND2 3.03Å; E166-V180 HydrophobicContact CB-CG2 4.2Å |
| 167 | R | 92.4 | Very high | 91.4 | Very high | 102 Ų | 102 | 64.1 Ų | 64.1 | 39% | 0.385 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.9 | -41.5 | 175.3 | -62 | -177.2 | -166.5 | -154.9 | 1.2 | 111.5 | T92 L93 H162 R163 L164 H171 | T92-R167 PolarHBondContact O-NH1 3.32Å; L93-R167 HydrophobicContact CD2-CB 3.74Å; H162-R167 PolarHBondContact O-NE 3.14Å; H162-R167 VanDerWaalsContact O-NE 3.09Å; H162-R167 PolarHBondContact O-NH2 3.35Å; R163-R167 PolarHBondContact O-N 2.86Å; L164-R167 PolarHBondContact O-N 3.45Å; R167-H171 PolarHBondContact O-N 3.26Å; R167-H171 VanDerWaalsContact O-N 3.08Å |
| 168 | V | 93.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.6 | -43.4 | 177.4 | 175.3 | 0 | 0 | 0 | 0 | 110.6 | I61 Y63 I83 I85 L89 L93 L164 T165 N170 H171 | I61-V168 HydrophobicContact CD1-CG1 4.18Å; Y63-V168 HydrophobicContact CD1-CG1 4.03Å; Y63-V168 HydrophobicContact CE1-CG1 4.39Å; Y63-V168 HydrophobicContact CG-CG1 4.21Å; I83-V168 HydrophobicContact CD1-CG1 3.92Å; I83-V168 HydrophobicContact CG2-CG1 3.82Å; I85-V168 HydrophobicContact CD1-CG1 4.48Å; I85-V168 HydrophobicContact CD1-CG2 4.24Å; L89-V168 HydrophobicContact CD2-CG1 4.33Å; L89-V168 HydrophobicContact CD2-CG2 4.37Å; L93-V168 HydrophobicContact CD2-CG2 4.21Å; L164-V168 HydrophobicContact CD1-CG2 3.85Å; L164-V168 HydrophobicContact CG-CG2 4.19Å; L164-V168 VanDerWaalsContact O-CG2 3.3Å; L164-V168 WeakPolarHBondContact O-CG2 3.45Å; L164-V168 PolarHBondContact O-N 3.46Å; T165-V168 PolarHBondContact O-N 3.08Å; V168-N170 PolarHBondContact O-N 3.13Å; V168-H171 PolarHBondContact O-N 3.47Å |
| 169 | A | 93.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.7 | -48.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I38 I61 K70 T165 E166 H171 L178 V180 | I38-A169 HydrophobicContact CG2-CB 4.12Å; I61-A169 HydrophobicContact CD1-CB 3.83Å; K70-A169 PolarHBondContact NZ-O 3.43Å; T165-A169 VanDerWaalsContact O-CB 3.3Å; T165-A169 WeakPolarHBondContact O-CB 3.45Å; T165-A169 PolarHBondContact O-N 3.24Å; E166-A169 PolarHBondContact O-N 2.84Å; A169-H171 VanDerWaalsContact C-N 3.33Å; A169-H171 PolarHBondContact O-N 3.47Å; A169-L178 HydrophobicContact CB-CB 4.34Å; A169-L178 WeakPolarHBondContact O-CD1 3.37Å; A169-V180 HydrophobicContact CB-CG2 4.35Å |
| 170 | N | 93.4 | Very high | 91.4 | Very high | 43 Ų | 43 | 67.5 Ų | 67.5 | 23% | 0.23 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -83.6 | -3.4 | -176.4 | -69.5 | -75.5 | 0 | 0 | 0 | 114.2 | E166 V168 G172 E173 L178 | E166-N170 PolarHBondContact O-N 2.87Å; E166-N170 PolarHBondContact O-ND2 3.03Å; V168-N170 PolarHBondContact O-N 3.13Å; N170-G172 PolarHBondContact O-N 2.78Å; N170-E173 PolarHBondContact O-N 2.86Å; N170-E173 VanDerWaalsContact O-N 3.13Å; N170-L178 PolarHBondContact ND2-O 3.38Å; N170-L178 PolarHBondContact OD1-N 3.08Å; N170-L178 PolarHBondContact OD1-O 2.98Å |
| 171 | H | 90.3 | Very high | 91.4 | Very high | 63 Ų | 63 | 65.8 Ų | 65.8 | 29% | 0.292 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | 127.9 | 177.9 | -172.3 | 73.4 | 0 | 0 | 0 | 111.7 | K70 L89 R167 V168 A169 E173 | K70-H171 PolarHBondContact NZ-O 3.12Å; L89-H171 HydrophobicContact CD1-CB 3.63Å; L89-H171 HydrophobicContact CD2-CB 4.07Å; L89-H171 HydrophobicContact CG-CB 4.36Å; R167-H171 PolarHBondContact O-N 3.26Å; R167-H171 VanDerWaalsContact O-N 3.08Å; V168-H171 PolarHBondContact O-N 3.47Å; A169-H171 VanDerWaalsContact C-N 3.33Å; A169-H171 PolarHBondContact O-N 3.47Å; H171-E173 PolarHBondContact O-N 2.94Å |
| 172 | G | 85.1 | Confident | 91.5 | Very high | 63 Ų | 63 | 61.7 Ų | 61.7 | 65% | 0.649 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70 | 9.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | N170 | N170-G172 PolarHBondContact O-N 2.78Š|
| 173 | E | 89 | Confident | 91.7 | Very high | 36 Ų | 36 | 60.2 Ų | 60.2 | 17% | 0.168 | 31% | 0.311 | C | S | . | . | trans | -90.7 | 119.4 | 171.8 | -61.8 | -63.4 | 150.2 | 0 | 0 | 110 | K70 K72 N170 H171 F176 L178 | K70-E173 WeakPolarHBondContact CE-OE1 3.34Å; K70-E173 IonicContact NZ-OE1 2.7Å; K70-E173 PolarHBondContact NZ-OE1 3Å; K72-E173 IonicContact NZ-OE1 2.7Å; K72-E173 PolarHBondContact NZ-OE1 3.23Å; K72-E173 IonicContact NZ-OE2 2.7Å; K72-E173 PolarHBondContact NZ-OE2 2.69Å; N170-E173 PolarHBondContact O-N 2.86Å; N170-E173 VanDerWaalsContact O-N 3.13Å; H171-E173 PolarHBondContact O-N 2.94Å; E173-F176 WeakPolarHBondContact CB-O 3.25Å; E173-L178 HydrophobicContact CG-CD1 3.91Å | ||
| 174 | N | 84.8 | Confident | 91.9 | Very high | 162 Ų | 162 | 55.8 Ų | 55.8 | 87% | 0.866 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -107.6 | -23.7 | 175.8 | -61.7 | -36 | 0 | 0 | 0 | 112.6 | ||
| 175 | L | 85.7 | Confident | 92.2 | Very high | 141 Ų | 141 | 57.2 Ų | 57.2 | 74% | 0.738 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -105.4 | -23.5 | -170.8 | -65.8 | 171.6 | 0 | 0 | 0 | 113.3 | ||
| 176 | F | 89.1 | Confident | 92.4 | Very high | 37 Ų | 37 | 58.8 Ų | 58.8 | 16% | 0.162 | 32% | 0.32 | C | S | . | . | trans | -130.9 | 132.7 | -174.2 | -59 | -75.8 | 0 | 0 | 0 | 109.9 | C40 C74 L76 E173 | C40-F176 VanDerWaalsContact SG-CD1 3.55Å; C74-F176 HydrophobicContact CB-CD1 4.47Å; C74-F176 HydrophobicContact CB-CE1 4.26Å; L76-F176 HydrophobicContact CD1-CZ 4.41Å; E173-F176 WeakPolarHBondContact CB-O 3.25Å | ||
| 177 | V | 93.8 | Very high | 92.6 | Very high | 81 Ų | 81 | 61 Ų | 61 | 49% | 0.491 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -89.6 | 121.2 | 166.6 | -178.1 | 0 | 0 | 0 | 0 | 107.9 | K41 T42 | K41-V177 PolarHBondContact N-O 3.3Å; T42-V177 PolarHBondContact OG1-N 2.92Å |
| 178 | L | 94 | Very high | 92.8 | Very high | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 117.6 | 178.7 | -60.4 | 173.7 | 0 | 0 | 0 | 109.2 | I38 L39 C40 K70 K72 A169 N170 E173 | I38-L178 HydrophobicContact CD1-CD1 4.15Å; L39-L178 CarbonylContact O-C 3.58Å; L39-L178 WeakPolarHBondContact O-CA 3.45Å; C40-L178 HydrophobicContact CB-CD2 4.2Å; K70-L178 HydrophobicContact CD-CD1 4.47Å; K72-L178 HydrophobicContact CD-CD1 3.93Å; K72-L178 HydrophobicContact CD-CD2 4.25Å; K72-L178 HydrophobicContact CG-CD1 4.3Å; K72-L178 HydrophobicContact CG-CD2 4.35Å; A169-L178 HydrophobicContact CB-CB 4.34Å; A169-L178 WeakPolarHBondContact O-CD1 3.37Å; N170-L178 PolarHBondContact ND2-O 3.38Å; N170-L178 PolarHBondContact OD1-N 3.08Å; N170-L178 PolarHBondContact OD1-O 2.98Å; E173-L178 HydrophobicContact CG-CD1 3.91Å |
| 179 | E | 94.4 | Very high | 93 | Very high | 79 Ų | 79 | 56.5 Ų | 56.5 | 37% | 0.369 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 131.5 | 176 | -173.3 | 166.5 | 172.9 | 0 | 0 | 109.5 | I38 L39 K41 L181 | I38-E179 CarbonylContact C-O 3.5Å; I38-E179 WeakPolarHBondContact CA-O 3.36Å; L39-E179 HydrophobicContact CB-CB 4.48Å; L39-E179 PolarHBondContact N-O 2.85Å; L39-E179 PolarHBondContact O-N 3.37Å; K41-E179 HydrophobicContact CB-CB 4.46Å; K41-E179 WeakPolarHBondContact CD-OE2 3.14Å; K41-E179 IonicContact NZ-OE2 2.79Å; K41-E179 PolarHBondContact NZ-OE2 3.17Å; E179-L181 PolarHBondContact O-N 2.81Å |
| 180 | V | 95.2 | Very high | 93.2 | Very high | 35 Ų | 35 | 63.3 Ų | 63.3 | 21% | 0.212 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 115.5 | 178.4 | -178.9 | 0 | 0 | 0 | 0 | 108 | I38 T165 E166 A169 D183 | I38-V180 HydrophobicContact CG2-CG2 4.31Å; T165-V180 HydrophobicContact CG2-CB 4.48Å; T165-V180 HydrophobicContact CG2-CG1 3.78Å; T165-V180 HydrophobicContact CG2-CG2 3.83Å; E166-V180 HydrophobicContact CB-CG2 4.2Å; A169-V180 HydrophobicContact CB-CG2 4.35Å; V180-D183 HydrophobicContact CG1-CB 4.2Å |
| 181 | L | 93.6 | Very high | 93.5 | Very high | 76 Ų | 76 | 62.9 Ų | 62.9 | 40% | 0.398 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | -48.1 | 179.4 | -69.5 | 176.6 | 0 | 0 | 0 | 111.1 | R37 L39 I58 E179 | R37-L181 PolarHBondContact O-N 3.42Å; L39-L181 HydrophobicContact CB-CD1 3.99Å; L39-L181 HydrophobicContact CB-CD2 4.01Å; L39-L181 HydrophobicContact CB-CG 3.84Å; L39-L181 HydrophobicContact CD2-CD2 4.25Å; I58-L181 HydrophobicContact CD1-CD1 3.8Å; I58-L181 HydrophobicContact CG1-CD1 3.82Å; I58-L181 HydrophobicContact CG2-CD1 4.39Å; E179-L181 PolarHBondContact O-N 2.81Å |
| 182 | D | 93.4 | Very high | 93.8 | Very high | 67 Ų | 67 | 59.9 Ų | 59.9 | 36% | 0.358 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 144.8 | 178.2 | 58.7 | -19.6 | 0 | 0 | 0 | 110.6 | G36 R37 | G36-D182 CarbonylContact C-O 3.58Å; G36-D182 WeakPolarHBondContact CA-O 3.37Å; R37-D182 WeakPolarHBondContact CB-OD1 3.37Å; R37-D182 VanDerWaalsContact CG-OD1 3.32Å; R37-D182 WeakPolarHBondContact CG-OD1 3.5Å; R37-D182 IonicContact CZ-OD1 3.63Å; R37-D182 IonicContact CZ-OD2 3.32Å; R37-D182 PolarHBondContact N-O 2.78Å; R37-D182 PolarHBondContact N-OD1 3.1Å; R37-D182 VanDerWaalsContact NE-CG 3.31Å; R37-D182 IonicContact NE-OD1 2.85Å; R37-D182 PolarHBondContact NE-OD1 2.96Å; R37-D182 IonicContact NE-OD2 3.01Å; R37-D182 PolarHBondContact NE-OD2 3.29Å; R37-D182 IonicContact NH2-OD1 3.6Å; R37-D182 IonicContact NH2-OD2 2.78Å; R37-D182 PolarHBondContact NH2-OD2 3.39Å |
| 183 | D | 95.1 | Very high | 94.4 | Very high | 42 Ų | 42 | 59.4 Ų | 59.4 | 23% | 0.225 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 140.6 | 171.2 | 72.2 | 3 | 0 | 0 | 0 | 111.4 | V34 V35 K160 T165 V180 | V34-D183 HydrophobicContact CG1-CB 4.18Å; V35-D183 WeakPolarHBondContact O-CA 3.33Å; K160-D183 IonicContact NZ-OD1 2.82Å; K160-D183 PolarHBondContact NZ-OD1 2.82Å; T165-D183 WeakPolarHBondContact CB-OD2 3.3Å; T165-D183 HydrophobicContact CG2-CB 4.07Å; T165-D183 PolarHBondContact OG1-OD2 3.46Å; V180-D183 HydrophobicContact CG1-CB 4.2Å |
| 184 | S | 96.3 | Very high | 94.9 | Very high | 66 Ų | 66 | 59 Ų | 59 | 46% | 0.462 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 151.7 | 178.6 | 67.5 | 0 | 0 | 0 | 0 | 111 | V34 V35 | V34-S184 WeakPolarHBondContact CA-O 3.42Å; V35-S184 WeakPolarHBondContact CG2-OG 3.3Å; V35-S184 PolarHBondContact N-O 3.41Å; V35-S184 PolarHBondContact O-N 2.83Å |
| 185 | L | 97.6 | Very high | 95.5 | Very high | 39 Ų | 39 | 51.4 Ų | 51.4 | 20% | 0.204 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 126.8 | 177.5 | -58.9 | 166.3 | 0 | 0 | 0 | 108.5 | W33 V34 F155 L156 F189 W190 | W33-L185 WeakPolarHBondContact O-CA 3.32Å; V34-L185 HydrophobicContact CG2-CD2 4.21Å; F155-L185 HydrophobicContact CE1-CD2 4.35Å; L156-L185 HydrophobicContact CD1-CD1 3.67Å; L185-F189 HydrophobicContact CB-CB 4.28Å; L185-F189 HydrophobicContact CB-CD1 3.79Å; L185-F189 HydrophobicContact CB-CE1 4.36Å; L185-F189 HydrophobicContact CB-CG 4.04Å; L185-F189 HydrophobicContact CD1-CD1 3.82Å; L185-F189 HydrophobicContact CD1-CE1 3.51Å; L185-F189 HydrophobicContact CD1-CE2 4.25Å; L185-F189 HydrophobicContact CD1-CG 4.33Å; L185-F189 HydrophobicContact CD1-CZ 3.74Å; L185-F189 HydrophobicContact CD2-CD1 4.35Å; L185-F189 HydrophobicContact CD2-CD2 3.99Å; L185-F189 HydrophobicContact CD2-CE2 4.23Å; L185-F189 HydrophobicContact CD2-CG 4.04Å; L185-F189 HydrophobicContact CG-CD1 4.18Å; L185-F189 HydrophobicContact CG-CE1 4.36Å; L185-F189 HydrophobicContact CG-CG 4.35Å; L185-W190 PolarHBondContact O-NE1 2.7Å |
| 186 | D | 97.2 | Very high | 96.1 | Very high | 36 Ų | 36 | 45.7 Ų | 45.7 | 19% | 0.193 | 24% | 0.238 | C | C | . | . | trans | -103 | 176.6 | -176 | -162 | 7.5 | 0 | 0 | 0 | 111.1 | R32 W33 V35 S188 F189 W190 | R32-D186 HydrophobicContact CB-CB 4.44Å; R32-D186 WeakPolarHBondContact CD-OD2 3.46Å; R32-D186 CarbonylContact O-C 3.59Å; R32-D186 WeakPolarHBondContact O-CB 3.44Å; W33-D186 PolarHBondContact O-N 2.7Å; V35-D186 HydrophobicContact CG1-CB 3.92Å; V35-D186 VanDerWaalsContact CG1-OD2 3.28Å; V35-D186 WeakPolarHBondContact CG1-OD2 3.01Å; V35-D186 HydrophobicContact CG2-CB 4.12Å; D186-S188 PolarHBondContact O-N 2.78Å; D186-F189 WeakPolarHBondContact O-CB 3.27Å; D186-F189 PolarHBondContact O-N 2.94Å; D186-W190 PolarHBondContact O-N 2.7Å | ||
| 187 | W | 96.9 | Very high | 96.5 | Very high | 112 Ų | 112 | 45.7 Ų | 45.7 | 42% | 0.424 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -51.6 | -32.9 | -167.5 | 68.4 | -88 | 0 | 0 | 0 | 115.1 | V26 T30 F189 W190 L191 | V26-W187 HydrophobicContact CG1-CH2 3.9Å; V26-W187 HydrophobicContact CG1-CZ3 3.62Å; T30-W187 HydrophobicContact CG2-CH2 3.55Å; T30-W187 HydrophobicContact CG2-CZ2 3.96Å; T30-W187 HydrophobicContact CG2-CZ3 4.49Å; W187-F189 VanDerWaalsContact C-N 3.31Å; W187-F189 PolarHBondContact O-N 3.34Å; W187-W190 PolarHBondContact O-N 3.31Å; W187-W190 VanDerWaalsContact O-N 3.16Å; W187-L191 HydrophobicContact CE3-CD1 3.57Å; W187-L191 HydrophobicContact CE3-CG 4.06Å; W187-L191 HydrophobicContact CZ3-CD1 3.41Å; W187-L191 VanDerWaalsContact CZ3-CD1 3.41Å; W187-L191 HydrophobicContact CZ3-CG 4.38Å; W187-L191 WeakPolarHBondContact O-CG 3.3Å; W187-L191 PolarHBondContact O-N 3.49Å |
| 188 | S | 97.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.3 | -34.8 | -179 | -48.1 | 0 | 0 | 0 | 0 | 111.6 | A27 T30 R32 W33 D186 L191 G192 | A27-S188 VanDerWaalsContact CB-O 3.3Å; A27-S188 WeakPolarHBondContact CB-O 3.49Å; T30-S188 VanDerWaalsContact OG1-CB 3.26Å; T30-S188 WeakPolarHBondContact OG1-CB 3.38Å; T30-S188 PolarHBondContact OG1-OG 3.48Å; R32-S188 VanDerWaalsContact C-OG 3.3Å; R32-S188 WeakPolarHBondContact O-CB 2.97Å; R32-S188 PolarHBondContact O-N 3.06Å; R32-S188 VanDerWaalsContact O-N 3.08Å; R32-S188 PolarHBondContact O-OG 3.39Å; W33-S188 VanDerWaalsContact CD1-CB 3.44Å; D186-S188 PolarHBondContact O-N 2.78Å; S188-L191 PolarHBondContact O-N 3.47Å; S188-G192 PolarHBondContact O-N 2.04Å |
| 189 | F | 97.8 | Very high | 96.8 | Very high | 7 Ų | 7 | 42.7 Ų | 42.7 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.8 | -44.1 | 172.6 | 172.9 | -89.9 | 0 | 0 | 0 | 110.7 | W33 V152 F155 L156 L185 D186 W187 L191 G192 V193 | W33-F189 HydrophobicContact CD2-CB 4.38Å; W33-F189 HydrophobicContact CE3-CB 4.02Å; W33-F189 AromaticContact CE3-CD2 3.77Å; W33-F189 HydrophobicContact CE3-CD2 3.77Å; W33-F189 HydrophobicContact CE3-CG 4.39Å; W33-F189 AromaticContact CZ3-CD2 3.86Å; W33-F189 HydrophobicContact CZ3-CD2 3.86Å; V152-F189 HydrophobicContact CG1-CD2 4.47Å; V152-F189 HydrophobicContact CG1-CE1 4.29Å; V152-F189 HydrophobicContact CG1-CE2 3.56Å; V152-F189 HydrophobicContact CG1-CZ 3.44Å; V152-F189 VanDerWaalsContact CG1-CZ 3.44Å; F155-F189 AromaticContact CD1-CD2 3.84Å; F155-F189 HydrophobicContact CD1-CD2 3.84Å; F155-F189 HydrophobicContact CD1-CE2 4.12Å; F155-F189 HydrophobicContact CE1-CD2 4.3Å; L156-F189 HydrophobicContact CB-CE2 4.43Å; L185-F189 HydrophobicContact CB-CB 4.28Å; L185-F189 HydrophobicContact CB-CD1 3.79Å; L185-F189 HydrophobicContact CB-CE1 4.36Å; L185-F189 HydrophobicContact CB-CG 4.04Å; L185-F189 HydrophobicContact CD1-CD1 3.82Å; L185-F189 HydrophobicContact CD1-CE1 3.51Å; L185-F189 HydrophobicContact CD1-CE2 4.25Å; L185-F189 HydrophobicContact CD1-CG 4.33Å; L185-F189 HydrophobicContact CD1-CZ 3.74Å; L185-F189 HydrophobicContact CD2-CD1 4.35Å; L185-F189 HydrophobicContact CD2-CD2 3.99Å; L185-F189 HydrophobicContact CD2-CE2 4.23Å; L185-F189 HydrophobicContact CD2-CG 4.04Å; L185-F189 HydrophobicContact CG-CD1 4.18Å; L185-F189 HydrophobicContact CG-CE1 4.36Å; L185-F189 HydrophobicContact CG-CG 4.35Å; D186-F189 WeakPolarHBondContact O-CB 3.27Å; D186-F189 PolarHBondContact O-N 2.94Å; W187-F189 VanDerWaalsContact C-N 3.31Å; W187-F189 PolarHBondContact O-N 3.34Å; F189-L191 VanDerWaalsContact C-N 3.27Å; F189-L191 PolarHBondContact O-N 3.25Å; F189-G192 WeakPolarHBondContact O-CA 3.2Å; F189-G192 PolarHBondContact O-N 3.43Å; F189-V193 HydrophobicContact CD1-CG2 4.15Å; F189-V193 HydrophobicContact CE1-CG2 3.64Å; F189-V193 HydrophobicContact CZ-CG2 4.13Å; F189-V193 PolarHBondContact O-N 3.36Å; F189-V193 VanDerWaalsContact O-N 3.16Å |
| 190 | W | 98.1 | Very high | 96.9 | Very high | 143 Ų | 143 | 45.3 Ų | 45.3 | 54% | 0.542 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.7 | -26.3 | 179.3 | -67.4 | 110.2 | 0 | 0 | 0 | 113.4 | L185 D186 W187 G192 V193 G194 | L185-W190 PolarHBondContact O-NE1 2.7Å; D186-W190 PolarHBondContact O-N 2.7Å; W187-W190 PolarHBondContact O-N 3.31Å; W187-W190 VanDerWaalsContact O-N 3.16Å; W190-G192 VanDerWaalsContact C-N 3.34Å; W190-V193 HydrophobicContact CE3-CB 4.13Å; W190-V193 HydrophobicContact CE3-CG1 4.28Å; W190-V193 HydrophobicContact CE3-CG2 4.01Å; W190-V193 HydrophobicContact CZ3-CG1 4.4Å; W190-V193 HydrophobicContact CZ3-CG2 4.31Å; W190-V193 PolarHBondContact O-N 3.09Å; W190-G194 PolarHBondContact O-N 3.44Å |
| 191 | L | 98.1 | Very high | 97 | Very high | 34 Ų | 34 | 45.8 Ų | 45.8 | 18% | 0.178 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.9 | -39.5 | 168.1 | -70.1 | -176.2 | 0 | 0 | 0 | 112.1 | F23 V26 A27 W187 S188 F189 G194 S195 | F23-L191 HydrophobicContact CB-CB 4.31Å; F23-L191 HydrophobicContact CD1-CD2 3.74Å; F23-L191 HydrophobicContact CE1-CD2 4.05Å; F23-L191 HydrophobicContact CG-CD2 4.17Å; V26-L191 HydrophobicContact CB-CD1 3.94Å; V26-L191 HydrophobicContact CG1-CD1 3.5Å; V26-L191 VanDerWaalsContact CG1-CD1 3.5Å; A27-L191 HydrophobicContact CB-CB 4.09Å; W187-L191 HydrophobicContact CE3-CD1 3.57Å; W187-L191 HydrophobicContact CE3-CG 4.06Å; W187-L191 HydrophobicContact CZ3-CD1 3.41Å; W187-L191 VanDerWaalsContact CZ3-CD1 3.41Å; W187-L191 HydrophobicContact CZ3-CG 4.38Å; W187-L191 WeakPolarHBondContact O-CG 3.3Å; W187-L191 PolarHBondContact O-N 3.49Å; S188-L191 PolarHBondContact O-N 3.47Å; F189-L191 VanDerWaalsContact C-N 3.27Å; F189-L191 PolarHBondContact O-N 3.25Å; L191-G194 PolarHBondContact O-N 2.95Å; L191-S195 PolarHBondContact O-N 3.28Å |
| 192 | G | 97.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.1 | -47.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | S188 F189 W190 S195 V196 | S188-G192 PolarHBondContact O-N 2.04Å; F189-G192 WeakPolarHBondContact O-CA 3.2Å; F189-G192 PolarHBondContact O-N 3.43Å; W190-G192 VanDerWaalsContact C-N 3.34Å; G192-S195 WeakPolarHBondContact O-CB 3.49Å; G192-S195 PolarHBondContact O-N 3.18Å; G192-V196 PolarHBondContact O-N 3.29Å |
| 193 | V | 98.1 | Very high | 97.1 | Very high | 53 Ų | 53 | 40.4 Ų | 40.4 | 32% | 0.321 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.2 | -44.4 | 174 | 179 | 0 | 0 | 0 | 0 | 111.2 | V152 F189 W190 S195 V196 G197 | V152-V193 HydrophobicContact CG1-CG2 3.76Å; F189-V193 HydrophobicContact CD1-CG2 4.15Å; F189-V193 HydrophobicContact CE1-CG2 3.64Å; F189-V193 HydrophobicContact CZ-CG2 4.13Å; F189-V193 PolarHBondContact O-N 3.36Å; F189-V193 VanDerWaalsContact O-N 3.16Å; W190-V193 HydrophobicContact CE3-CB 4.13Å; W190-V193 HydrophobicContact CE3-CG1 4.28Å; W190-V193 HydrophobicContact CE3-CG2 4.01Å; W190-V193 HydrophobicContact CZ3-CG1 4.4Å; W190-V193 HydrophobicContact CZ3-CG2 4.31Å; W190-V193 PolarHBondContact O-N 3.09Å; V193-S195 VanDerWaalsContact C-N 3.29Å; V193-S195 PolarHBondContact O-N 3.31Å; V193-V196 WeakPolarHBondContact O-CB 3.48Å; V193-V196 PolarHBondContact O-N 3.16Å; V193-V196 VanDerWaalsContact O-N 3.12Å; V193-G197 PolarHBondContact O-N 2.85Å |
| 194 | G | 97.9 | Very high | 97 | Very high | 28 Ų | 28 | 40.2 Ų | 40.2 | 29% | 0.289 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -58.5 | -40.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | W190 L191 V196 G197 T198 | W190-G194 PolarHBondContact O-N 3.44Å; L191-G194 PolarHBondContact O-N 2.95Å; G194-V196 PolarHBondContact O-N 3.41Å; G194-G197 WeakPolarHBondContact O-CA 3.33Å; G194-G197 PolarHBondContact O-N 2.93Å; G194-G197 VanDerWaalsContact O-N 3.17Å; G194-T198 VanDerWaalsContact O-CG2 3.31Å; G194-T198 WeakPolarHBondContact O-CG2 3.4Å; G194-T198 PolarHBondContact O-N 3.27Å |
| 195 | S | 97.9 | Very high | 96.9 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.007 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.2 | -44.1 | 174.2 | -178.2 | 0 | 0 | 0 | 0 | 112.1 | S20 L24 L191 G192 V193 G197 T198 H199 | S20-S195 PolarHBondContact O-OG 3.08Å; S20-S195 PolarHBondContact OG-OG 3.14Å; L24-S195 WeakPolarHBondContact CD1-OG 3.46Å; L24-S195 VanDerWaalsContact CG-OG 3.31Å; L24-S195 WeakPolarHBondContact CG-OG 3.4Å; L191-S195 PolarHBondContact O-N 3.28Å; G192-S195 WeakPolarHBondContact O-CB 3.49Å; G192-S195 PolarHBondContact O-N 3.18Å; V193-S195 VanDerWaalsContact C-N 3.29Å; V193-S195 PolarHBondContact O-N 3.31Å; S195-G197 VanDerWaalsContact C-N 3.28Å; S195-G197 PolarHBondContact O-N 3.17Å; S195-T198 PolarHBondContact O-N 3.45Å; S195-T198 VanDerWaalsContact O-N 3.12Å; S195-T198 PolarHBondContact O-OG1 2.87Å; S195-H199 PolarHBondContact O-CD2 3.28Å; S195-H199 PolarHBondContact O-N 3.46Å |
| 196 | V | 98.1 | Very high | 96.5 | Very high | 21 Ų | 21 | 36 Ų | 36 | 13% | 0.127 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.2 | -44.1 | 175.1 | 176.3 | 0 | 0 | 0 | 0 | 110.6 | A145 G148 A149 G192 V193 G194 T198 H199 F200 | A145-V196 HydrophobicContact CB-CG1 4.5Å; G148-V196 VanDerWaalsContact C-CG2 3.49Å; A149-V196 HydrophobicContact CB-CG1 4.33Å; A149-V196 HydrophobicContact CB-CG2 4.37Å; G192-V196 PolarHBondContact O-N 3.29Å; V193-V196 WeakPolarHBondContact O-CB 3.48Å; V193-V196 PolarHBondContact O-N 3.16Å; V193-V196 VanDerWaalsContact O-N 3.12Å; G194-V196 PolarHBondContact O-N 3.41Å; V196-T198 VanDerWaalsContact C-N 3.35Å; V196-T198 PolarHBondContact O-N 2.85Å; V196-H199 PolarHBondContact O-N 3.3Å; V196-F200 HydrophobicContact CG1-CE2 3.86Å; V196-F200 VanDerWaalsContact O-CD2 3.24Å; V196-F200 WeakPolarHBondContact O-CD2 3.34Å |
| 197 | G | 97.8 | Very high | 96.2 | Very high | 38 Ų | 38 | 36.3 Ų | 36.3 | 39% | 0.392 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -58.2 | -41 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | V193 G194 S195 H199 F200 A201 | V193-G197 PolarHBondContact O-N 2.85Å; G194-G197 WeakPolarHBondContact O-CA 3.33Å; G194-G197 PolarHBondContact O-N 2.93Å; G194-G197 VanDerWaalsContact O-N 3.17Å; S195-G197 VanDerWaalsContact C-N 3.28Å; S195-G197 PolarHBondContact O-N 3.17Å; G197-H199 VanDerWaalsContact C-N 3.28Å; G197-H199 PolarHBondContact O-N 3.44Å; G197-F200 PolarHBondContact O-N 3.07Å; G197-F200 VanDerWaalsContact O-N 3.15Å; G197-A201 PolarHBondContact O-N 2.74Å; G197-A201 VanDerWaalsContact O-N 3.12Å |
| 198 | T | 97.3 | Very high | 95.8 | Very high | 18 Ų | 18 | 34.8 Ų | 34.8 | 11% | 0.11 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.9 | -32.9 | -179.3 | 63 | 0 | 0 | 0 | 0 | 112.7 | S20 F23 G194 S195 V196 F200 A201 V202 | S20-T198 VanDerWaalsContact CB-OG1 3.23Å; S20-T198 WeakPolarHBondContact CB-OG1 3.47Å; F23-T198 HydrophobicContact CD2-CG2 4.19Å; F23-T198 HydrophobicContact CE2-CG2 3.99Å; G194-T198 VanDerWaalsContact O-CG2 3.31Å; G194-T198 WeakPolarHBondContact O-CG2 3.4Å; G194-T198 PolarHBondContact O-N 3.27Å; S195-T198 PolarHBondContact O-N 3.45Å; S195-T198 VanDerWaalsContact O-N 3.12Å; S195-T198 PolarHBondContact O-OG1 2.87Å; V196-T198 VanDerWaalsContact C-N 3.35Å; V196-T198 PolarHBondContact O-N 2.85Å; T198-F200 PolarHBondContact O-N 3.02Å; T198-A201 WeakPolarHBondContact O-CB 3.42Å; T198-A201 PolarHBondContact O-N 2.84Å; T198-V202 WeakPolarHBondContact O-CG2 3.47Å; T198-V202 PolarHBondContact O-N 3.44Å |
| 199 | H | 97.3 | Very high | 95.1 | Very high | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.009 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.2 | -36.6 | 175.8 | -70.5 | -56.8 | 0 | 0 | 0 | 112.7 | S20 N141 A144 A145 S195 V196 G197 V202 C203 | S20-H199 PolarHBondContact OG-CE1 3.26Å; S20-H199 PolarHBondContact OG-NE2 3Å; S20-H199 VanDerWaalsContact OG-NE2 3.14Å; N141-H199 HydrophobicContact CB-CB 4.23Å; N141-H199 PolarHBondContact OD1-ND1 2.91Å; A144-H199 VanDerWaalsContact CB-CE1 3.4Å; A144-H199 WeakPolarHBondContact CB-CE1 3.38Å; A144-H199 WeakPolarHBondContact CB-NE2 3.46Å; A145-H199 HydrophobicContact CB-CB 3.84Å; S195-H199 PolarHBondContact O-CD2 3.28Å; S195-H199 PolarHBondContact O-N 3.46Å; V196-H199 PolarHBondContact O-N 3.3Å; G197-H199 VanDerWaalsContact C-N 3.28Å; G197-H199 PolarHBondContact O-N 3.44Å; H199-V202 PolarHBondContact O-N 3.13Å; H199-C203 PolarHBondContact O-N 3.21Å; H199-C203 VanDerWaalsContact O-N 3.1Å; H199-C203 PolarHBondContact O-SG 2.98Å |
| 200 | F | 96.2 | Very high | 94.2 | Very high | 134 Ų | 134 | 41.3 Ų | 41.3 | 59% | 0.588 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -65.3 | -40.5 | 171.6 | -66.5 | -73.9 | 0 | 0 | 0 | 111.5 | V196 G197 T198 V202 C203 G204 | V196-F200 HydrophobicContact CG1-CE2 3.86Å; V196-F200 VanDerWaalsContact O-CD2 3.24Å; V196-F200 WeakPolarHBondContact O-CD2 3.34Å; G197-F200 PolarHBondContact O-N 3.07Å; G197-F200 VanDerWaalsContact O-N 3.15Å; T198-F200 PolarHBondContact O-N 3.02Å; F200-V202 PolarHBondContact O-N 3.29Å; F200-C203 WeakPolarHBondContact O-CB 3.38Å; F200-C203 PolarHBondContact O-N 3.45Å; F200-G204 PolarHBondContact O-N 2.7Å |
| 201 | A | 96.9 | Very high | 93.2 | Very high | 45 Ų | 45 | 39.4 Ų | 39.4 | 37% | 0.372 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.2 | -41.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | L16 G197 T198 C203 G204 V205 | L16-A201 HydrophobicContact CD1-CB 4.05Å; G197-A201 PolarHBondContact O-N 2.74Å; G197-A201 VanDerWaalsContact O-N 3.12Å; T198-A201 WeakPolarHBondContact O-CB 3.42Å; T198-A201 PolarHBondContact O-N 2.84Å; A201-C203 VanDerWaalsContact C-N 3.33Å; A201-C203 PolarHBondContact O-N 3.38Å; A201-G204 PolarHBondContact O-N 3.08Å; A201-G204 VanDerWaalsContact O-N 3.13Å; A201-V205 WeakPolarHBondContact O-CG2 3.3Å; A201-V205 PolarHBondContact O-N 2.77Å |
| 202 | V | 95.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.4 | -46.9 | 173.8 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | A13 L16 N141 T198 H199 F200 G204 V205 V206 | A13-V202 HydrophobicContact CB-CG1 4.24Å; L16-V202 HydrophobicContact CB-CG2 3.49Å; L16-V202 VanDerWaalsContact CB-CG2 3.49Å; L16-V202 HydrophobicContact CD1-CG2 4.12Å; L16-V202 HydrophobicContact CG-CG2 4.47Å; N141-V202 VanDerWaalsContact ND2-CG1 3.3Å; N141-V202 WeakPolarHBondContact ND2-CG1 3.47Å; T198-V202 WeakPolarHBondContact O-CG2 3.47Å; T198-V202 PolarHBondContact O-N 3.44Å; H199-V202 PolarHBondContact O-N 3.13Å; F200-V202 PolarHBondContact O-N 3.29Å; V202-G204 VanDerWaalsContact C-N 3.31Å; V202-G204 PolarHBondContact O-N 3.26Å; V202-V205 PolarHBondContact O-N 2.86Å; V202-V206 HydrophobicContact CG1-CG2 4.27Å; V202-V206 VanDerWaalsContact O-CG2 3.3Å; V202-V206 WeakPolarHBondContact O-CG2 3.15Å; V202-V206 PolarHBondContact O-N 3.01Å |
| 203 | C | 93.9 | Very high | 90 | Very high | 30 Ų | 30 | 52 Ų | 52 | 20% | 0.203 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.6 | -42.9 | 175.8 | -68.2 | 0 | 0 | 0 | 0 | 111.8 | Y138 H199 F200 A201 V206 A207 | Y138-C203 HydrophobicContact CD1-CB 3.86Å; Y138-C203 HydrophobicContact CE1-CB 3.91Å; Y138-C203 WeakPolarHBondContact CE1-O 3.39Å; H199-C203 PolarHBondContact O-N 3.21Å; H199-C203 VanDerWaalsContact O-N 3.1Å; H199-C203 PolarHBondContact O-SG 2.98Å; F200-C203 WeakPolarHBondContact O-CB 3.38Å; F200-C203 PolarHBondContact O-N 3.45Å; A201-C203 VanDerWaalsContact C-N 3.33Å; A201-C203 PolarHBondContact O-N 3.38Å; C203-V206 PolarHBondContact O-N 2.98Å; C203-A207 WeakPolarHBondContact O-CB 3.43Å; C203-A207 PolarHBondContact O-N 3.38Å |
| 204 | G | 93.9 | Very high | 88.1 | Confident | 37 Ų | 37 | 55 Ų | 55 | 38% | 0.381 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58.6 | -47.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | F200 A201 V202 V206 A207 M208 | F200-G204 PolarHBondContact O-N 2.7Å; A201-G204 PolarHBondContact O-N 3.08Å; A201-G204 VanDerWaalsContact O-N 3.13Å; V202-G204 VanDerWaalsContact C-N 3.31Å; V202-G204 PolarHBondContact O-N 3.26Å; G204-V206 PolarHBondContact O-N 3.22Å; G204-A207 WeakPolarHBondContact O-CB 3.35Å; G204-A207 PolarHBondContact O-N 3.42Å; G204-A207 VanDerWaalsContact O-N 3.16Å; G204-M208 WeakPolarHBondContact O-CG 3.5Å; G204-M208 PolarHBondContact O-N 2.83Å |
| 205 | V | 93.3 | Very high | 86.2 | Confident | 14 Ų | 14 | 63 Ų | 63 | 9% | 0.085 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.9 | -41 | 178.7 | 177.1 | 0 | 0 | 0 | 0 | 112.1 | T9 V12 A13 L16 A201 V202 A207 M208 S209 | T9-V205 WeakPolarHBondContact O-CG1 3.41Å; V12-V205 HydrophobicContact CB-CG1 4.15Å; V12-V205 HydrophobicContact CG1-CG1 4.11Å; V12-V205 HydrophobicContact CG1-CG2 4.09Å; A13-V205 HydrophobicContact CB-CG1 4.19Å; L16-V205 HydrophobicContact CD1-CG2 3.89Å; A201-V205 WeakPolarHBondContact O-CG2 3.3Å; A201-V205 PolarHBondContact O-N 2.77Å; V202-V205 PolarHBondContact O-N 2.86Å; V205-A207 VanDerWaalsContact C-N 3.27Å; V205-A207 PolarHBondContact O-N 3.2Å; V205-M208 HydrophobicContact CB-CE 4.17Å; V205-M208 HydrophobicContact CG1-CE 4.42Å; V205-M208 HydrophobicContact CG2-CE 3.83Å; V205-M208 WeakPolarHBondContact O-CB 3.38Å; V205-M208 PolarHBondContact O-N 3.22Å; V205-S209 PolarHBondContact O-N 3.5Å |
| 206 | V | 90.2 | Very high | 84.3 | Confident | 2 Ų | 2 | 68.2 Ų | 68.2 | 1% | 0.012 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.8 | -31.6 | 175.1 | 173.7 | 0 | 0 | 0 | 0 | 111.3 | F10 A13 H134 L137 Y138 V202 C203 G204 S209 | F10-V206 HydrophobicContact CE1-CG1 4.49Å; F10-V206 HydrophobicContact CE1-CG2 4.36Å; A13-V206 HydrophobicContact CB-CG2 4.26Å; H134-V206 HydrophobicContact CB-CG1 3.93Å; L137-V206 HydrophobicContact CB-CG1 4.34Å; L137-V206 HydrophobicContact CB-CG2 4.38Å; L137-V206 HydrophobicContact CD1-CG1 4.25Å; L137-V206 HydrophobicContact CD1-CG2 3.95Å; Y138-V206 HydrophobicContact CE1-CB 4.26Å; Y138-V206 HydrophobicContact CE1-CG1 4.17Å; Y138-V206 HydrophobicContact CE2-CG1 4.48Å; V202-V206 HydrophobicContact CG1-CG2 4.27Å; V202-V206 VanDerWaalsContact O-CG2 3.3Å; V202-V206 WeakPolarHBondContact O-CG2 3.15Å; V202-V206 PolarHBondContact O-N 3.01Å; C203-V206 PolarHBondContact O-N 2.98Å; G204-V206 PolarHBondContact O-N 3.22Å; V206-S209 PolarHBondContact O-N 3.03Å; V206-S209 PolarHBondContact O-OG 2.92Å |
| 207 | A | 90.3 | Very high | 82 | Confident | 44 Ų | 44 | 76.2 Ų | 76.2 | 36% | 0.364 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66.4 | -42.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y138 C203 G204 V205 S209 R210 | Y138-A207 WeakPolarHBondContact OH-CA 3.15Å; Y138-A207 WeakPolarHBondContact OH-CB 3.39Å; Y138-A207 PolarHBondContact OH-N 3.18Å; C203-A207 WeakPolarHBondContact O-CB 3.43Å; C203-A207 PolarHBondContact O-N 3.38Å; G204-A207 WeakPolarHBondContact O-CB 3.35Å; G204-A207 PolarHBondContact O-N 3.42Å; G204-A207 VanDerWaalsContact O-N 3.16Å; V205-A207 VanDerWaalsContact C-N 3.27Å; V205-A207 PolarHBondContact O-N 3.2Å; A207-S209 PolarHBondContact O-N 2.88Å; A207-R210 WeakPolarHBondContact O-CB 3.38Å; A207-R210 PolarHBondContact O-N 3.26Å |
| 208 | M | 87.7 | Confident | 80 | Confident | 80 Ų | 80 | 81.4 Ų | 81.4 | 39% | 0.394 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.9 | -28.2 | 177.6 | -69.1 | -167.8 | -71.6 | 0 | 0 | 113.5 | W5 G204 V205 R210 M211 | W5-M208 PolarHBondContact NE1-O 2.85Å; W5-M208 VanDerWaalsContact NE1-O 3.13Å; G204-M208 WeakPolarHBondContact O-CG 3.5Å; G204-M208 PolarHBondContact O-N 2.83Å; V205-M208 HydrophobicContact CB-CE 4.17Å; V205-M208 HydrophobicContact CG1-CE 4.42Å; V205-M208 HydrophobicContact CG2-CE 3.83Å; V205-M208 WeakPolarHBondContact O-CB 3.38Å; V205-M208 PolarHBondContact O-N 3.22Å; M208-R210 PolarHBondContact O-N 2.87Å; M208-M211 HydrophobicContact CB-CE 3.89Å; M208-M211 HydrophobicContact CG-CE 3.91Å; M208-M211 WeakPolarHBondContact O-CB 3.45Å; M208-M211 PolarHBondContact O-N 3.02Å; M208-M211 HydrophobicContact SD-CE 4.48Å |
| 209 | S | 83.5 | Confident | 77.5 | Confident | 7 Ų | 7 | 89.7 Ų | 89.7 | 5% | 0.049 | 46% | 0.46 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -12.2 | 176.7 | 88.9 | 0 | 0 | 0 | 0 | 113.4 | T9 V205 V206 A207 | T9-S209 VanDerWaalsContact OG1-CB 3.23Å; T9-S209 WeakPolarHBondContact OG1-CB 3.42Å; V205-S209 PolarHBondContact O-N 3.5Å; V206-S209 PolarHBondContact O-N 3.03Å; V206-S209 PolarHBondContact O-OG 2.92Å; A207-S209 PolarHBondContact O-N 2.88Å |
| 210 | R | 78.6 | Confident | 75 | Confident | 136 Ų | 136 | 98.5 Ų | 98.5 | 51% | 0.513 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -18.9 | 175.9 | -59.3 | -162.4 | -175.6 | -168.9 | 9.7 | 113.6 | H134 A207 M208 K212 | H134-R210 PolarHBondContact ND1-NH2 2.89Å; A207-R210 WeakPolarHBondContact O-CB 3.38Å; A207-R210 PolarHBondContact O-N 3.26Å; M208-R210 PolarHBondContact O-N 2.87Å; R210-K212 PolarHBondContact O-N 3.42Å |
| 211 | M | 77.9 | Confident | 72.9 | Confident | 104 Ų | 104 | 97.8 Ų | 97.8 | 51% | 0.512 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -67.5 | 127.5 | 176.6 | -59.5 | -171 | -59.2 | 0 | 0 | 109.1 | W5 M208 L213 | W5-M211 HydrophobicContact CZ2-CE 4.4Å; M208-M211 HydrophobicContact CB-CE 3.89Å; M208-M211 HydrophobicContact CG-CE 3.91Å; M208-M211 WeakPolarHBondContact O-CB 3.45Å; M208-M211 PolarHBondContact O-N 3.02Å; M208-M211 HydrophobicContact SD-CE 4.48Å; M211-L213 PolarHBondContact O-N 3.09Å |
| 212 | K | 64.7 | Low | 70.7 | Confident | 207 Ų | 207 | 104.4 Ų | 104.4 | 90% | 0.9 | 53% | 0.53 | S | S | * | . | trans | -81.1 | 103.5 | 171.9 | -68.3 | -176.8 | -176.8 | 178 | 0 | 107.3 | R210 | R210-K212 PolarHBondContact O-N 3.42Š| ||
| 213 | L | 63.5 | Low | 68.4 | Low | 92 Ų | 92 | 112.8 Ų | 112.8 | 48% | 0.482 | 57% | 0.569 | S | S | . | * | P | Polyproline II helix | trans | -65.2 | 139.9 | 169.9 | -73.4 | -179.7 | 0 | 0 | 0 | 109.8 | W5 M211 K215 | W5-L213 HydrophobicContact CB-CD1 4.02Å; W5-L213 HydrophobicContact CD2-CD1 3.27Å; W5-L213 HydrophobicContact CD2-CG 3.97Å; W5-L213 HydrophobicContact CE3-CD1 3.31Å; W5-L213 HydrophobicContact CE3-CG 4.41Å; W5-L213 HydrophobicContact CG-CD1 3.6Å; W5-L213 HydrophobicContact CG-CG 4.07Å; W5-L213 HydrophobicContact CH2-CD1 4.32Å; W5-L213 HydrophobicContact CZ2-CD1 4.32Å; W5-L213 HydrophobicContact CZ3-CD1 3.86Å; M211-L213 PolarHBondContact O-N 3.09Å; L213-K215 PolarHBondContact O-N 2.9Å |
| 214 | P | 58.1 | Low | 66.3 | Low | 116 Ų | 116 | 118.6 Ų | 118.6 | 75% | 0.753 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 133.4 | 170.9 | 23.4 | -30.4 | 0 | 0 | 0 | 108.6 | ||
| 215 | K | 57.7 | Low | 64.3 | Low | 194 Ų | 194 | 122.9 Ų | 122.9 | 84% | 0.843 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -66 | 131.4 | 175 | -72 | 179 | 179.6 | 177.4 | 0 | 107.3 | L213 E217 | L213-K215 PolarHBondContact O-N 2.9Å; K215-E217 PolarHBondContact O-N 3.36Å |
| 216 | P | 58.8 | Low | 62.7 | Low | 111 Ų | 111 | 127.7 Ų | 127.7 | 72% | 0.721 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 125.8 | 169.4 | 23.4 | -30 | 0 | 0 | 0 | 107.9 | I218 | P216-I218 PolarHBondContact O-N 3.38Š|
| 217 | E | 48.5 | Very low | 61.3 | Low | 189 Ų | 189 | 131 Ų | 131 | 88% | 0.883 | 66% | 0.664 | S | S | * | * | trans | -62.8 | 103.3 | 169.1 | -80.9 | -175.9 | 166.8 | 0 | 0 | 107.4 | K215 K219 | K215-E217 PolarHBondContact O-N 3.36Å; E217-K219 VanDerWaalsContact C-N 3.32Å; E217-K219 PolarHBondContact O-N 3.43Å | ||
| 218 | I | 55.8 | Low | 59.8 | Low | 148 Ų | 148 | 132.8 Ų | 132.8 | 76% | 0.759 | 68% | 0.679 | S | S | * | * | trans | -70.9 | 99.7 | 165.8 | -58 | 167.6 | 0 | 0 | 0 | 104.1 | P216 K220 | P216-I218 PolarHBondContact O-N 3.38Å; I218-K220 PolarHBondContact O-N 2.89Å | ||
| 219 | K | 45.8 | Very low | 58.4 | Low | 192 Ų | 192 | 135.4 Ų | 135.4 | 84% | 0.835 | 69% | 0.694 | S | S | * | * | trans | -52.2 | 111.3 | 163.2 | -79.5 | -175.3 | 175.1 | -174.4 | 0 | 105.9 | E217 | E217-K219 VanDerWaalsContact C-N 3.32Å; E217-K219 PolarHBondContact O-N 3.43Å | ||
| 220 | K | 45 | Very low | 57.1 | Low | 187 Ų | 187 | 141 Ų | 141 | 81% | 0.813 | 72% | 0.723 | S | S | * | * | trans | -55 | 135 | 168.7 | -73.5 | -178.5 | 176.2 | -177.6 | 0 | 106.2 | I218 E222 | I218-K220 PolarHBondContact O-N 2.89Å; K220-E222 PolarHBondContact O-N 3.42Å; K220-E222 VanDerWaalsContact O-N 3.09Å | ||
| 221 | P | 50.3 | Low | 56.2 | Low | 119 Ų | 119 | 141.2 Ų | 141.2 | 77% | 0.773 | 73% | 0.734 | S | S | * | * | trans | -54.7 | 124.4 | 165.7 | 21.7 | -25.8 | 0 | 0 | 0 | 106.1 | E223 | P221-E223 PolarHBondContact O-N 3.07Š| ||
| 222 | E | 51.6 | Low | 55 | Low | 183 Ų | 183 | 143.1 Ų | 143.1 | 86% | 0.855 | 75% | 0.745 | S | S | * | * | trans | -54.1 | 110.8 | 173.6 | -143.3 | 165.8 | -165.5 | 0 | 0 | 105.7 | K220 L224 | K220-E222 PolarHBondContact O-N 3.42Å; K220-E222 VanDerWaalsContact O-N 3.09Å; E222-L224 VanDerWaalsContact C-N 3.25Å; E222-L224 PolarHBondContact O-N 3.08Å | ||
| 223 | E | 48.5 | Very low | 54.3 | Low | 176 Ų | 176 | 147.3 Ų | 147.3 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | trans | -62.4 | 102 | 165 | -85.2 | 178.9 | 167.5 | 0 | 0 | 104.8 | P221 T225 | P221-E223 PolarHBondContact O-N 3.07Å; E223-T225 PolarHBondContact O-N 3.1Å | ||
| 224 | L | 48.9 | Very low | 53.8 | Low | 152 Ų | 152 | 150.1 Ų | 150.1 | 80% | 0.796 | 77% | 0.771 | S | S | * | * | trans | -58.5 | 87.4 | 165.8 | -87.5 | 150 | 0 | 0 | 0 | 106.8 | E222 I226 | E222-L224 VanDerWaalsContact C-N 3.25Å; E222-L224 PolarHBondContact O-N 3.08Å; L224-I226 PolarHBondContact O-N 3.44Å | ||
| 225 | T | 51.4 | Low | 53.6 | Low | 127 Ų | 127 | 151.8 Ų | 151.8 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | trans | -65.7 | 83.5 | 159.6 | 41 | 0 | 0 | 0 | 0 | 106.6 | E223 S227 | E223-T225 PolarHBondContact O-N 3.1Å; T225-S227 VanDerWaalsContact C-N 3.31Å; T225-S227 PolarHBondContact O-N 2.79Å | ||
| 226 | I | 61.2 | Low | 53.3 | Low | 116 Ų | 116 | 149.5 Ų | 149.5 | 60% | 0.595 | 77% | 0.768 | S | S | * | * | trans | -63.6 | 102 | 162.8 | -63.8 | 169.8 | 0 | 0 | 0 | 104.8 | L224 L231 | L224-I226 PolarHBondContact O-N 3.44Å; I226-L231 HydrophobicContact CG2-CD1 4.47Å | ||
| 227 | S | 60.2 | Low | 53 | Low | 71 Ų | 71 | 151.8 Ų | 151.8 | 50% | 0.497 | 77% | 0.771 | S | S | . | * | trans | -66.4 | 138.8 | 170 | -179.1 | 0 | 0 | 0 | 0 | 107.4 | T225 L229 D230 | T225-S227 VanDerWaalsContact C-N 3.31Å; T225-S227 PolarHBondContact O-N 2.79Å; S227-L229 PolarHBondContact O-N 2.75Å; S227-D230 PolarHBondContact O-N 3.31Å | ||
| 228 | A | 58.6 | Low | 53.3 | Low | 82 Ų | 82 | 149.4 Ų | 149.4 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -56.5 | -12.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 229 | L | 57.5 | Low | 53.1 | Low | 135 Ų | 135 | 149.5 Ų | 149.5 | 71% | 0.707 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -73.2 | -24 | 174.4 | -153.8 | 73.9 | 0 | 0 | 0 | 113.7 | S227 L231 | S227-L229 PolarHBondContact O-N 2.75Å; L229-L231 VanDerWaalsContact C-N 3.3Å; L229-L231 PolarHBondContact O-N 2.67Å |
| 230 | D | 56.9 | Low | 53.7 | Low | 125 Ų | 125 | 146.5 Ų | 146.5 | 67% | 0.668 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -82.4 | -4.2 | -178.9 | -72.3 | -27.6 | 0 | 0 | 0 | 113.6 | S227 | S227-D230 PolarHBondContact O-N 3.31Š|
| 231 | L | 59.1 | Low | 54.3 | Low | 140 Ų | 140 | 143.4 Ų | 143.4 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -98.1 | 2.2 | 178.1 | -80.9 | 161.8 | 0 | 0 | 0 | 113.6 | I226 L229 | I226-L231 HydrophobicContact CG2-CD1 4.47Å; L229-L231 VanDerWaalsContact C-N 3.3Å; L229-L231 PolarHBondContact O-N 2.67Å |
| 232 | L | 52.1 | Low | 54.7 | Low | 144 Ų | 144 | 145.4 Ų | 145.4 | 75% | 0.754 | 75% | 0.753 | S | S | * | * | trans | -105 | 16.1 | -174 | -85.4 | 165.2 | 0 | 0 | 0 | 114.3 | ||||
| 233 | Y | 50.3 | Low | 55 | Low | 294 Ų | 294 | 142 Ų | 142 | 100% | 1.153 | 74% | 0.744 | S | S | * | * | trans | -127.2 | 0 | 171.4 | -130.7 | -84.3 | 0 | 0 | 0 | 112 |
Retrieved 233 of 233 residues in 503.6 ms
(Link to these results)