| 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 | 37.9 | Very low | 77 | Confident | 224 Ų | 224 | 93.9 Ų | 93.9 | 100% | 1.103 | 54% | 0.537 | S | S | * | . | 0 | 117.6 | 0 | -73.1 | -162.8 | -85.1 | 0 | 0 | 108.5 | G3 | M1-G3 PolarHBondContact O-N 3.1Š| |||
| 2 | S | 37.5 | Very low | 78.6 | Confident | 124 Ų | 124 | 101.6 Ų | 101.6 | 87% | 0.867 | 55% | 0.551 | S | S | * | * | trans | -77.3 | 54.3 | 178.6 | 57.4 | 0 | 0 | 0 | 0 | 111.7 | Q4 | S2-Q4 PolarHBondContact O-N 3.05Å; S2-Q4 VanDerWaalsContact O-N 3.1Å | ||
| 3 | G | 48.9 | Very low | 80 | Confident | 44 Ų | 44 | 96.2 Ų | 96.2 | 45% | 0.454 | 53% | 0.528 | S | S | . | . | trans | -66.9 | 106.9 | -166.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | M1 T5 | M1-G3 PolarHBondContact O-N 3.1Å; G3-T5 VanDerWaalsContact C-N 3.29Å | ||
| 4 | Q | 64 | Low | 81.2 | Confident | 161 Ų | 161 | 89.5 Ų | 89.5 | 75% | 0.752 | 49% | 0.491 | S | S | * | . | trans | -79.3 | -12.4 | 168.9 | -74.8 | -177.2 | -8.2 | 0 | 0 | 112.7 | S2 | S2-Q4 PolarHBondContact O-N 3.05Å; S2-Q4 VanDerWaalsContact O-N 3.1Å | ||
| 5 | T | 85.6 | Confident | 82.3 | Confident | 98 Ų | 98 | 87.5 Ų | 87.5 | 60% | 0.601 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -120.1 | 151.2 | -172.7 | 50.9 | 0 | 0 | 0 | 0 | 112.3 | G3 | G3-T5 VanDerWaalsContact C-N 3.29Š|
| 6 | V | 93.8 | Very high | 83.1 | Confident | 12 Ų | 12 | 86.4 Ų | 86.4 | 7% | 0.073 | 49% | 0.491 | C | S | . | . | trans | -70.9 | 133 | 173.5 | -176.7 | 0 | 0 | 0 | 0 | 108.6 | L117 Y132 V134 L233 L236 I238 | V6-L117 HydrophobicContact CG1-CD1 3.76Å; V6-Y132 HydrophobicContact CG1-CE2 4.46Å; V6-Y132 WeakPolarHBondContact CG1-OH 3.19Å; V6-V134 HydrophobicContact CG1-CG1 3.85Å; V6-V134 HydrophobicContact CG2-CG1 4.28Å; V6-L233 HydrophobicContact CB-CD1 4.27Å; V6-L233 HydrophobicContact CG1-CD1 3.73Å; V6-L236 HydrophobicContact CB-CB 4.26Å; V6-L236 HydrophobicContact CG1-CB 4.08Å; V6-L236 HydrophobicContact CG1-CD1 4.19Å; V6-L236 HydrophobicContact CG2-CB 3.88Å; V6-I238 HydrophobicContact CB-CD1 4.46Å; V6-I238 HydrophobicContact CG2-CD1 3.96Å; V6-I238 HydrophobicContact CG2-CG1 4.13Å | ||
| 7 | T | 95.2 | Very high | 83.9 | Confident | 86 Ų | 86 | 81.4 Ų | 81.4 | 53% | 0.528 | 46% | 0.463 | S | S | . | . | trans | -132.4 | 131.2 | -179.7 | 56 | 0 | 0 | 0 | 0 | 110.6 | Y132 | T7-Y132 PolarHBondContact N-OH 3.42Å; T7-Y132 PolarHBondContact O-OH 3.16Å | ||
| 8 | I | 96.9 | Very high | 84.6 | Confident | 51 Ų | 51 | 80.1 Ų | 80.1 | 26% | 0.262 | 45% | 0.451 | S | S | . | . | trans | -67.4 | 129.5 | 171.6 | -54.8 | -177.9 | 0 | 0 | 0 | 108 | D10 L92 T93 A96 L233 | I8-D10 PolarHBondContact O-N 2.95Å; I8-L92 HydrophobicContact CD1-CB 3.83Å; I8-L92 HydrophobicContact CD1-CD1 4.49Å; I8-L92 HydrophobicContact CG1-CD1 4.39Å; I8-T93 HydrophobicContact CD1-CG2 3.65Å; I8-A96 HydrophobicContact CG2-CB 3.79Å; I8-L233 HydrophobicContact CD1-CD1 4.48Å; I8-L233 HydrophobicContact CG1-CD1 3.97Å; I8-L233 HydrophobicContact CG1-CD2 4.37Å | ||
| 9 | P | 96.4 | Very high | 85.2 | Confident | 20 Ų | 20 | 78.9 Ų | 78.9 | 13% | 0.13 | 45% | 0.452 | C | S | . | . | trans | -54.7 | 126.7 | 178.3 | -28.9 | 36.6 | 0 | 0 | 0 | 112.1 | A13 F14 L117 M130 Y132 | P9-A13 HydrophobicContact CB-CB 3.99Å; P9-F14 HydrophobicContact CB-CE2 4.01Å; P9-F14 HydrophobicContact CB-CZ 4.43Å; P9-L117 HydrophobicContact CG-CD2 4.32Å; P9-M130 HydrophobicContact CB-CE 3.7Å; P9-M130 HydrophobicContact CG-CE 4.33Å; P9-Y132 HydrophobicContact CG-CE1 4.47Å | ||
| 10 | D | 95.6 | Very high | 85.7 | Confident | 87 Ų | 87 | 76.9 Ų | 76.9 | 47% | 0.465 | 44% | 0.438 | S | S | . | . | trans | -96.7 | 178.2 | 175.9 | 67.9 | -4.7 | 0 | 0 | 0 | 111.3 | I8 R12 A13 F14 | I8-D10 PolarHBondContact O-N 2.95Å; D10-R12 PolarHBondContact O-N 3.29Å; D10-R12 VanDerWaalsContact O-N 3.16Å; D10-R12 PolarHBondContact OD1-N 3.15Å; D10-A13 WeakPolarHBondContact O-CB 3.29Å; D10-A13 PolarHBondContact O-N 3.44Å; D10-A13 WeakPolarHBondContact OD1-CB 3.44Å; D10-A13 PolarHBondContact OD1-N 2.75Å; D10-F14 VanDerWaalsContact O-CD2 3.26Å; D10-F14 WeakPolarHBondContact O-CD2 3.3Å; D10-F14 PolarHBondContact O-N 3.25Å; D10-F14 VanDerWaalsContact O-N 3.1Å | ||
| 11 | D | 95.4 | Very high | 86.2 | Confident | 126 Ų | 126 | 73.2 Ų | 73.2 | 67% | 0.674 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -56.1 | -33.8 | 179.7 | -67.3 | -16.8 | 0 | 0 | 0 | 112.7 | F14 A15 | D11-F14 PolarHBondContact O-N 2.92Å; D11-A15 WeakPolarHBondContact O-CB 3.44Å; D11-A15 PolarHBondContact O-N 3.07Å |
| 12 | R | 96.3 | Very high | 88.9 | Confident | 186 Ų | 186 | 66 Ų | 66 | 70% | 0.702 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -66.3 | -43.9 | 176.5 | -174.3 | -180 | -63.9 | -175 | 1.2 | 110.8 | D10 F14 A15 S16 | D10-R12 PolarHBondContact O-N 3.29Å; D10-R12 VanDerWaalsContact O-N 3.16Å; D10-R12 PolarHBondContact OD1-N 3.15Å; R12-F14 VanDerWaalsContact C-N 3.33Å; R12-F14 PolarHBondContact O-N 3.49Å; R12-A15 PolarHBondContact O-N 2.98Å; R12-S16 WeakPolarHBondContact O-CB 3.37Å; R12-S16 PolarHBondContact O-N 2.86Å; R12-S16 PolarHBondContact O-OG 3.47Å; R12-S16 VanDerWaalsContact O-OG 3.11Å |
| 13 | A | 96.2 | Very high | 91.6 | Very high | 31 Ų | 31 | 62.4 Ų | 62.4 | 26% | 0.256 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.4 | -44.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | P9 D10 S16 F17 M130 | P9-A13 HydrophobicContact CB-CB 3.99Å; D10-A13 WeakPolarHBondContact O-CB 3.29Å; D10-A13 PolarHBondContact O-N 3.44Å; D10-A13 WeakPolarHBondContact OD1-CB 3.44Å; D10-A13 PolarHBondContact OD1-N 2.75Å; A13-S16 PolarHBondContact O-N 3.05Å; A13-F17 WeakPolarHBondContact O-CB 3.44Å; A13-F17 PolarHBondContact O-N 3.01Å; A13-M130 HydrophobicContact CB-CE 4.14Å |
| 14 | F | 97.5 | Very high | 93.6 | Very high | 3 Ų | 3 | 65.6 Ų | 65.6 | 1% | 0.013 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64 | -43.5 | 175.9 | -77.2 | -77.6 | 0 | 0 | 0 | 112.4 | P9 D10 D11 R12 F17 K18 S119 L121 I128 M130 | P9-F14 HydrophobicContact CB-CE2 4.01Å; P9-F14 HydrophobicContact CB-CZ 4.43Å; D10-F14 VanDerWaalsContact O-CD2 3.26Å; D10-F14 WeakPolarHBondContact O-CD2 3.3Å; D10-F14 PolarHBondContact O-N 3.25Å; D10-F14 VanDerWaalsContact O-N 3.1Å; D11-F14 PolarHBondContact O-N 2.92Å; R12-F14 VanDerWaalsContact C-N 3.33Å; R12-F14 PolarHBondContact O-N 3.49Å; F14-F17 PolarHBondContact O-N 3.32Å; F14-K18 WeakPolarHBondContact O-CB 3.35Å; F14-K18 PolarHBondContact O-N 2.94Å; F14-S119 WeakPolarHBondContact CZ-OG 3.48Å; F14-L121 HydrophobicContact CB-CD2 3.87Å; F14-L121 HydrophobicContact CD1-CB 3.6Å; F14-L121 HydrophobicContact CD1-CD2 4.14Å; F14-L121 HydrophobicContact CD2-CB 4.09Å; F14-L121 HydrophobicContact CD2-CD2 3.75Å; F14-L121 HydrophobicContact CE1-CB 3.45Å; F14-L121 VanDerWaalsContact CE1-CB 3.45Å; F14-L121 HydrophobicContact CE2-CB 3.96Å; F14-L121 HydrophobicContact CE2-CD2 4.34Å; F14-L121 HydrophobicContact CG-CB 3.94Å; F14-L121 HydrophobicContact CG-CD2 3.66Å; F14-L121 HydrophobicContact CG-CG 4.47Å; F14-L121 HydrophobicContact CZ-CB 3.65Å; F14-I128 HydrophobicContact CD1-CB 3.84Å; F14-I128 HydrophobicContact CD1-CG2 3.6Å; F14-I128 HydrophobicContact CE1-CB 4.17Å; F14-I128 HydrophobicContact CE1-CG2 3.89Å; F14-M130 HydrophobicContact CB-CE 4.4Å; F14-M130 HydrophobicContact CD1-CE 3.51Å; F14-M130 HydrophobicContact CD1-SD 4.44Å; F14-M130 HydrophobicContact CD2-CE 4.04Å; F14-M130 HydrophobicContact CE1-CE 3.63Å; F14-M130 HydrophobicContact CE1-CG 4.49Å; F14-M130 HydrophobicContact CE2-CE 4.14Å; F14-M130 HydrophobicContact CG-CE 3.72Å; F14-M130 HydrophobicContact CZ-CE 3.93Å |
| 15 | A | 96.9 | Very high | 94.9 | Very high | 59 Ų | 59 | 66 Ų | 66 | 49% | 0.488 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | D11 R12 K18 A19 | D11-A15 WeakPolarHBondContact O-CB 3.44Å; D11-A15 PolarHBondContact O-N 3.07Å; R12-A15 PolarHBondContact O-N 2.98Å; A15-K18 PolarHBondContact O-N 2.98Å; A15-A19 WeakPolarHBondContact O-CB 3.45Å; A15-A19 PolarHBondContact O-N 3.25Å |
| 16 | S | 96.2 | Very high | 95 | Very high | 71 Ų | 71 | 64 Ų | 64 | 50% | 0.497 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.4 | -45.2 | 176.1 | -66.2 | 0 | 0 | 0 | 0 | 112 | R12 A13 K18 A19 E20 | R12-S16 WeakPolarHBondContact O-CB 3.37Å; R12-S16 PolarHBondContact O-N 2.86Å; R12-S16 PolarHBondContact O-OG 3.47Å; R12-S16 VanDerWaalsContact O-OG 3.11Å; A13-S16 PolarHBondContact O-N 3.05Å; S16-K18 VanDerWaalsContact C-N 3.35Å; S16-K18 PolarHBondContact O-N 3.49Å; S16-A19 PolarHBondContact O-N 3.19Å; S16-E20 WeakPolarHBondContact O-CB 3.48Å; S16-E20 PolarHBondContact O-N 2.89Å |
| 17 | F | 96.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63 | -41.4 | 177.3 | -177.4 | -89.4 | 0 | 0 | 0 | 112.3 | A13 F14 E20 C21 I128 M130 Q152 G154 M156 M170 | A13-F17 WeakPolarHBondContact O-CB 3.44Å; A13-F17 PolarHBondContact O-N 3.01Å; F14-F17 PolarHBondContact O-N 3.32Å; F17-E20 PolarHBondContact O-N 2.81Å; F17-C21 WeakPolarHBondContact CE1-SG 3.47Å; F17-C21 WeakPolarHBondContact O-CB 3.29Å; F17-C21 PolarHBondContact O-N 2.91Å; F17-C21 PolarHBondContact O-SG 2.76Å; F17-I128 HydrophobicContact CD1-CD1 4.48Å; F17-I128 HydrophobicContact CD1-CG2 3.64Å; F17-I128 HydrophobicContact CE1-CG2 3.96Å; F17-M130 HydrophobicContact CB-CG 4.3Å; F17-M130 HydrophobicContact CB-SD 3.19Å; F17-M130 WeakPolarHBondContact CB-SD 3.43Å; F17-M130 HydrophobicContact CD1-CG 3.96Å; F17-M130 HydrophobicContact CD1-SD 3.97Å; F17-M130 HydrophobicContact CD2-CG 3.82Å; F17-M130 HydrophobicContact CD2-SD 3.54Å; F17-M130 VanDerWaalsContact CD2-SD 3.54Å; F17-M130 HydrophobicContact CE1-CG 4.25Å; F17-M130 HydrophobicContact CE2-CG 4.11Å; F17-M130 HydrophobicContact CE2-SD 4.39Å; F17-M130 HydrophobicContact CG-CG 3.76Å; F17-M130 HydrophobicContact CG-SD 3.29Å; F17-M130 WeakPolarHBondContact CG-SD 3.29Å; F17-M130 HydrophobicContact CZ-CG 4.34Å; F17-Q152 HydrophobicContact CD2-CG 4.32Å; F17-Q152 HydrophobicContact CE2-CG 4.45Å; F17-G154 VanDerWaalsContact CZ-C 3.47Å; F17-G154 VanDerWaalsContact CZ-CA 3.47Å; F17-M156 HydrophobicContact CE1-CB 4.35Å; F17-M170 HydrophobicContact CD2-CE 3.33Å; F17-M170 HydrophobicContact CE2-CB 4.21Å; F17-M170 HydrophobicContact CE2-CE 3.28Å; F17-M170 HydrophobicContact CG-CE 4.18Å; F17-M170 HydrophobicContact CZ-CB 4.12Å; F17-M170 HydrophobicContact CZ-CE 4.07Å |
| 18 | K | 96.8 | Very high | 94.7 | Very high | 59 Ų | 59 | 64.9 Ų | 64.9 | 26% | 0.257 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -58.3 | -50.5 | 173.1 | -177.3 | 170 | -178.8 | 168.1 | 0 | 111.1 | F14 A15 S16 E20 C21 L22 I128 M156 | F14-K18 WeakPolarHBondContact O-CB 3.35Å; F14-K18 PolarHBondContact O-N 2.94Å; A15-K18 PolarHBondContact O-N 2.98Å; S16-K18 VanDerWaalsContact C-N 3.35Å; S16-K18 PolarHBondContact O-N 3.49Å; K18-E20 VanDerWaalsContact C-N 3.28Å; K18-E20 PolarHBondContact O-N 2.68Å; K18-C21 PolarHBondContact O-N 3.23Å; K18-L22 HydrophobicContact CG-CD1 3.98Å; K18-L22 VanDerWaalsContact O-CG 3.32Å; K18-L22 WeakPolarHBondContact O-CG 3.27Å; K18-L22 PolarHBondContact O-N 2.77Å; K18-L22 VanDerWaalsContact O-N 3.09Å; K18-I128 HydrophobicContact CB-CD1 3.77Å; K18-I128 HydrophobicContact CD-CD1 4.5Å; K18-I128 HydrophobicContact CG-CD1 4.39Å; K18-M156 HydrophobicContact CB-SD 4.47Å; K18-M156 HydrophobicContact CG-SD 3.9Å |
| 19 | A | 96.2 | Very high | 94.5 | Very high | 57 Ų | 57 | 67.5 Ų | 67.5 | 47% | 0.471 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -58.3 | -42 | 179 | 0 | 0 | 0 | 0 | 0 | 111.4 | A15 S16 L22 C23 | A15-A19 WeakPolarHBondContact O-CB 3.45Å; A15-A19 PolarHBondContact O-N 3.25Å; S16-A19 PolarHBondContact O-N 3.19Å; A19-L22 PolarHBondContact O-N 3.41Å; A19-C23 VanDerWaalsContact O-CB 3.27Å; A19-C23 WeakPolarHBondContact O-CB 3.31Å; A19-C23 PolarHBondContact O-N 3.12Å |
| 20 | E | 94.8 | Very high | 94.1 | Very high | 38 Ų | 38 | 68.5 Ų | 68.5 | 18% | 0.178 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -68.6 | -38.2 | 179.5 | -164.3 | 175.5 | 170.3 | 0 | 0 | 113.2 | S16 F17 K18 L22 W27 K51 K53 M170 | S16-E20 WeakPolarHBondContact O-CB 3.48Å; S16-E20 PolarHBondContact O-N 2.89Å; F17-E20 PolarHBondContact O-N 2.81Å; K18-E20 VanDerWaalsContact C-N 3.28Å; K18-E20 PolarHBondContact O-N 2.68Å; E20-L22 PolarHBondContact O-N 3.21Å; E20-W27 HydrophobicContact CG-CZ2 4.17Å; E20-K51 WeakPolarHBondContact OE1-CD 3.48Å; E20-K51 WeakPolarHBondContact OE1-CE 3.47Å; E20-K51 IonicContact OE1-NZ 2.88Å; E20-K51 PolarHBondContact OE1-NZ 3.16Å; E20-K51 IonicContact OE2-NZ 2.55Å; E20-K53 PolarHBondContact O-NZ 3.39Å; E20-K53 VanDerWaalsContact O-NZ 3.15Å; E20-M170 HydrophobicContact CB-CE 4.05Å; E20-M170 HydrophobicContact CB-SD 4.07Å; E20-M170 VanDerWaalsContact CD-SD 3.53Å; E20-M170 HydrophobicContact CG-CE 4Å; E20-M170 HydrophobicContact CG-SD 3.57Å; E20-M170 VanDerWaalsContact CG-SD 3.57Å |
| 21 | C | 95.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.3 | -30.2 | 173.8 | -75.8 | 0 | 0 | 0 | 0 | 112.7 | F17 K18 R55 M156 T168 | F17-C21 WeakPolarHBondContact CE1-SG 3.47Å; F17-C21 WeakPolarHBondContact O-CB 3.29Å; F17-C21 PolarHBondContact O-N 2.91Å; F17-C21 PolarHBondContact O-SG 2.76Å; K18-C21 PolarHBondContact O-N 3.23Å; C21-R55 PolarHBondContact O-NH2 3.42Å; C21-M156 HydrophobicContact CB-CB 4.36Å; C21-M156 HydrophobicContact CB-CE 3.53Å; C21-M156 HydrophobicContact CB-SD 3.87Å; C21-T168 HydrophobicContact CB-CG2 3.96Å |
| 22 | L | 95 | Very high | 93.7 | Very high | 73 Ų | 73 | 64.9 Ų | 64.9 | 38% | 0.382 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -89.7 | -29.2 | 179.7 | -65.8 | 174.6 | 0 | 0 | 0 | 113.2 | K18 A19 E20 M156 | K18-L22 HydrophobicContact CG-CD1 3.98Å; K18-L22 VanDerWaalsContact O-CG 3.32Å; K18-L22 WeakPolarHBondContact O-CG 3.27Å; K18-L22 PolarHBondContact O-N 2.77Å; K18-L22 VanDerWaalsContact O-N 3.09Å; A19-L22 PolarHBondContact O-N 3.41Å; E20-L22 PolarHBondContact O-N 3.21Å; L22-M156 HydrophobicContact CD2-CE 3.61Å; L22-M156 HydrophobicContact CD2-SD 4.49Å; L22-M156 HydrophobicContact CG-CE 3.97Å; L22-M156 HydrophobicContact CG-SD 4.39Å |
| 23 | C | 94.3 | Very high | 93.5 | Very high | 49 Ų | 49 | 63 Ų | 63 | 33% | 0.331 | 36% | 0.36 | S | S | . | . | trans | -63.6 | 136 | -178.9 | -177.9 | 0 | 0 | 0 | 0 | 111.4 | A19 E25 K53 | A19-C23 VanDerWaalsContact O-CB 3.27Å; A19-C23 WeakPolarHBondContact O-CB 3.31Å; A19-C23 PolarHBondContact O-N 3.12Å; C23-E25 PolarHBondContact SG-N 3.4Å; C23-E25 VanDerWaalsContact SG-N 3.45Å; C23-K53 PolarHBondContact O-NZ 3.09Å | ||
| 24 | E | 90.4 | Very high | 93 | Very high | 110 Ų | 110 | 65 Ų | 65 | 51% | 0.514 | 38% | 0.383 | S | S | . | . | trans | -111.1 | -15.2 | 171.4 | -62.7 | -174.2 | 176 | 0 | 0 | 112 | W27 R55 | E24-W27 WeakPolarHBondContact O-CB 3.12Å; E24-W27 PolarHBondContact O-N 3.06Å; E24-R55 IonicContact OE1-NH1 2.73Å | ||
| 25 | E | 91.5 | Very high | 92.7 | Very high | 171 Ų | 171 | 67 Ų | 67 | 80% | 0.799 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | 134.8 | 177.5 | -170.4 | 175.1 | -174.8 | 0 | 0 | 111.4 | C23 W27 | C23-E25 PolarHBondContact SG-N 3.4Å; C23-E25 VanDerWaalsContact SG-N 3.45Å; E25-W27 VanDerWaalsContact O-CD1 3.32Å; E25-W27 PolarHBondContact O-N 3.38Å |
| 26 | G | 88.6 | Confident | 92.7 | Very high | 55 Ų | 55 | 64.2 Ų | 64.2 | 57% | 0.567 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.9 | 6.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q41 | G26-Q41 WeakPolarHBondContact O-CG 3.44Å; G26-Q41 PolarHBondContact O-NE2 2.92Å |
| 27 | W | 91.1 | Very high | 92.6 | Very high | 23 Ų | 23 | 62.3 Ų | 62.3 | 9% | 0.087 | 37% | 0.368 | C | S | . | . | trans | -105.4 | 132.9 | 174 | -71.4 | 88.9 | 0 | 0 | 0 | 110.9 | E20 E24 E25 W39 Q41 K51 K53 M170 | E20-W27 HydrophobicContact CG-CZ2 4.17Å; E24-W27 WeakPolarHBondContact O-CB 3.12Å; E24-W27 PolarHBondContact O-N 3.06Å; E25-W27 VanDerWaalsContact O-CD1 3.32Å; E25-W27 PolarHBondContact O-N 3.38Å; W27-W39 HydrophobicContact CB-CB 3.98Å; W27-W39 HydrophobicContact CB-CG 4.23Å; W27-W39 HydrophobicContact CD2-CB 4.31Å; W27-W39 HydrophobicContact CE3-CB 3.71Å; W27-W39 HydrophobicContact CG-CB 4.45Å; W27-Q41 HydrophobicContact CD2-CB 3.87Å; W27-Q41 HydrophobicContact CE3-CB 3.63Å; W27-Q41 HydrophobicContact CH2-CB 4.3Å; W27-Q41 HydrophobicContact CZ2-CB 4.46Å; W27-Q41 HydrophobicContact CZ3-CB 3.87Å; W27-K51 HydrophobicContact CH2-CB 3.64Å; W27-K51 HydrophobicContact CH2-CD 4.28Å; W27-K51 HydrophobicContact CZ2-CD 4.43Å; W27-K51 HydrophobicContact CZ3-CB 3.94Å; W27-K53 VanDerWaalsContact CD1-NZ 3.29Å; W27-K53 HydrophobicContact CE3-CB 4.09Å; W27-K53 HydrophobicContact CH2-CB 3.8Å; W27-K53 HydrophobicContact CZ2-CB 4.47Å; W27-K53 HydrophobicContact CZ3-CB 3.61Å; W27-K53 VanDerWaalsContact NE1-NZ 3.12Å; W27-M170 HydrophobicContact CH2-CG 4.44Å; W27-M170 HydrophobicContact CH2-SD 4.31Å; W27-M170 HydrophobicContact CZ2-SD 4.21Å | ||
| 28 | T | 90.6 | Very high | 92.5 | Very high | 94 Ų | 94 | 62.3 Ų | 62.3 | 58% | 0.577 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 120.4 | 173.1 | -54.1 | 0 | 0 | 0 | 0 | 109.4 | T30 W39 T40 | T28-T30 PolarHBondContact O-N 3.13Å; T28-W39 CarbonylContact O-C 2.98Å; T28-W39 WeakPolarHBondContact O-CA 3.41Å; T28-T40 PolarHBondContact N-O 3.09Å; T28-T40 PolarHBondContact O-N 3.2Å |
| 29 | M | 92.1 | Very high | 92.3 | Very high | 105 Ų | 105 | 60.4 Ų | 60.4 | 52% | 0.517 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 119.8 | 173.1 | -174.9 | -176.5 | 67.8 | 0 | 0 | 109.9 | T32 T37 W39 | M29-T32 HydrophobicContact CE-CG2 4.15Å; M29-T32 HydrophobicContact SD-CG2 4.21Å; M29-T37 HydrophobicContact CG-CG2 3.76Å; M29-T37 HydrophobicContact SD-CG2 3.68Å; M29-W39 HydrophobicContact CB-CG 4.49Å |
| 30 | T | 89.1 | Confident | 92 | Very high | 41 Ų | 41 | 59.1 Ų | 59.1 | 25% | 0.252 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | -19.5 | -177.3 | 57 | 0 | 0 | 0 | 0 | 113.2 | T28 V38 T40 H189 | T28-T30 PolarHBondContact O-N 3.13Å; T30-V38 PolarHBondContact N-O 2.85Å; T30-V38 PolarHBondContact OG1-O 3.44Å; T30-T40 HydrophobicContact CG2-CG2 3.7Å; T30-T40 WeakPolarHBondContact CG2-OG1 3.35Å; T30-H189 PolarHBondContact O-CE1 2.75Å; T30-H189 PolarHBondContact O-ND1 2.81Å |
| 31 | Y | 89.5 | Confident | 91.5 | Very high | 48 Ų | 48 | 59.1 Ų | 59.1 | 19% | 0.188 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 139.1 | -179.9 | 178.6 | -89.9 | 0 | 0 | 0 | 111.1 | K33 I36 T37 V38 P193 | Y31-K33 HydrophobicContact CE1-CB 3.82Å; Y31-K33 HydrophobicContact CE2-CB 4.32Å; Y31-K33 WeakPolarHBondContact OH-CB 3.45Å; Y31-I36 HydrophobicContact CD1-CG2 4.47Å; Y31-I36 HydrophobicContact CE1-CB 4.42Å; Y31-I36 HydrophobicContact CE1-CG2 4.33Å; Y31-T37 CarbonylContact O-C 3.53Å; Y31-T37 WeakPolarHBondContact O-CA 3.03Å; Y31-V38 HydrophobicContact CD1-CG2 4.04Å; Y31-V38 HydrophobicContact CG-CG2 4.41Å; Y31-V38 PolarHBondContact N-O 2.89Å; Y31-V38 PolarHBondContact O-N 3.3Å; Y31-P193 HydrophobicContact CD1-CG 4.09Å; Y31-P193 HydrophobicContact CE1-CB 4.28Å; Y31-P193 HydrophobicContact CE1-CG 4.02Å |
| 32 | T | 93.1 | Very high | 90.4 | Very high | 89 Ų | 89 | 63.9 Ų | 63.9 | 55% | 0.546 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 120.3 | 167.1 | -177.8 | 0 | 0 | 0 | 0 | 110.4 | M29 I36 | M29-T32 HydrophobicContact CE-CG2 4.15Å; M29-T32 HydrophobicContact SD-CG2 4.21Å; T32-I36 WeakPolarHBondContact CA-O 3.43Å |
| 33 | K | 90.9 | Very high | 89.2 | Confident | 146 Ų | 146 | 63.7 Ų | 63.7 | 64% | 0.635 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -165.6 | 136.2 | 175.3 | -167.4 | 171.4 | -179.8 | 173 | 0 | 111.2 | Y31 G35 I36 | Y31-K33 HydrophobicContact CE1-CB 3.82Å; Y31-K33 HydrophobicContact CE2-CB 4.32Å; Y31-K33 WeakPolarHBondContact OH-CB 3.45Å; K33-G35 PolarHBondContact O-N 3.47Å; K33-I36 PolarHBondContact N-O 3.12Å; K33-I36 PolarHBondContact O-N 3.43Å; K33-I36 VanDerWaalsContact O-N 3.16Å |
| 34 | G | 87.5 | Confident | 87.7 | Confident | 73 Ų | 73 | 66.2 Ų | 66.2 | 75% | 0.753 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | 40.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114 | I36 | G34-I36 VanDerWaalsContact C-N 3.26Å; G34-I36 PolarHBondContact O-N 3.01Å |
| 35 | G | 90.8 | Very high | 85.9 | Confident | 46 Ų | 46 | 70.6 Ų | 70.6 | 47% | 0.474 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | 10.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | K33 M56 V57 | K33-G35 PolarHBondContact O-N 3.47Å; G35-M56 WeakPolarHBondContact O-CA 3.47Å; G35-V57 PolarHBondContact O-N 3.18Å; G35-V57 VanDerWaalsContact O-N 3.07Å |
| 36 | I | 95.6 | Very high | 84 | Confident | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.005 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 132.2 | 173.2 | -61 | 166.6 | 0 | 0 | 0 | 109.1 | Y31 T32 K33 G34 V38 R55 M56 P193 K197 | Y31-I36 HydrophobicContact CD1-CG2 4.47Å; Y31-I36 HydrophobicContact CE1-CB 4.42Å; Y31-I36 HydrophobicContact CE1-CG2 4.33Å; T32-I36 WeakPolarHBondContact CA-O 3.43Å; K33-I36 PolarHBondContact N-O 3.12Å; K33-I36 PolarHBondContact O-N 3.43Å; K33-I36 VanDerWaalsContact O-N 3.16Å; G34-I36 VanDerWaalsContact C-N 3.26Å; G34-I36 PolarHBondContact O-N 3.01Å; I36-V38 HydrophobicContact CG2-CG2 4.33Å; I36-R55 CarbonylContact C-O 3.54Å; I36-R55 VanDerWaalsContact CA-O 3.31Å; I36-R55 WeakPolarHBondContact CA-O 3.47Å; I36-M56 HydrophobicContact CD1-CG 4.23Å; I36-M56 HydrophobicContact CD1-SD 3.65Å; I36-M56 HydrophobicContact CG1-CB 3.92Å; I36-M56 HydrophobicContact CG1-CG 3.48Å; I36-M56 VanDerWaalsContact CG1-CG 3.48Å; I36-M56 HydrophobicContact CG1-SD 3.6Å; I36-P193 HydrophobicContact CD1-CB 4.21Å; I36-P193 HydrophobicContact CG2-CB 4.07Å; I36-P193 HydrophobicContact CG2-CG 4.2Å; I36-K197 HydrophobicContact CD1-CD 4.04Å; I36-K197 HydrophobicContact CD1-CG 3.67Å |
| 37 | T | 95.6 | Very high | 82.5 | Confident | 31 Ų | 31 | 69.6 Ų | 69.6 | 19% | 0.19 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 135.8 | 173 | -50.6 | 0 | 0 | 0 | 0 | 109.4 | M29 Y31 W39 C54 R55 | M29-T37 HydrophobicContact CG-CG2 3.76Å; M29-T37 HydrophobicContact SD-CG2 3.68Å; Y31-T37 CarbonylContact O-C 3.53Å; Y31-T37 WeakPolarHBondContact O-CA 3.03Å; T37-W39 HydrophobicContact CG2-CD2 4.02Å; T37-W39 HydrophobicContact CG2-CE3 4.02Å; T37-W39 HydrophobicContact CG2-CH2 3.3Å; T37-W39 HydrophobicContact CG2-CZ2 3.28Å; T37-W39 HydrophobicContact CG2-CZ3 3.66Å; T37-W39 VanDerWaalsContact O-CZ3 3.23Å; T37-W39 WeakPolarHBondContact O-CZ3 3.43Å; T37-C54 CarbonylContact O-C 3.6Å; T37-C54 WeakPolarHBondContact O-CA 3.35Å; T37-R55 PolarHBondContact N-O 3.22Å; T37-R55 PolarHBondContact O-N 3.27Å |
| 38 | V | 93.9 | Very high | 80.9 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 136 | 176.7 | -170.5 | 0 | 0 | 0 | 0 | 109.4 | T30 Y31 I36 I52 K53 C54 S188 P193 | T30-V38 PolarHBondContact N-O 2.85Å; T30-V38 PolarHBondContact OG1-O 3.44Å; Y31-V38 HydrophobicContact CD1-CG2 4.04Å; Y31-V38 HydrophobicContact CG-CG2 4.41Å; Y31-V38 PolarHBondContact N-O 2.89Å; Y31-V38 PolarHBondContact O-N 3.3Å; I36-V38 HydrophobicContact CG2-CG2 4.33Å; V38-I52 HydrophobicContact CG1-CG2 4.06Å; V38-K53 CarbonylContact C-O 3.54Å; V38-K53 VanDerWaalsContact CA-O 3.31Å; V38-K53 WeakPolarHBondContact CA-O 3.49Å; V38-C54 HydrophobicContact CG2-CB 4.29Å; V38-S188 WeakPolarHBondContact CG1-O 3.35Å; V38-S188 WeakPolarHBondContact CG2-O 3.48Å; V38-P193 HydrophobicContact CG2-CG 3.7Å |
| 39 | W | 92.3 | Very high | 79.7 | Confident | 19 Ų | 19 | 67.1 Ų | 67.1 | 7% | 0.072 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 149.3 | 172.2 | -57.9 | -105.5 | 0 | 0 | 0 | 110.5 | W27 T28 M29 T37 I52 K53 R55 | W27-W39 HydrophobicContact CB-CB 3.98Å; W27-W39 HydrophobicContact CB-CG 4.23Å; W27-W39 HydrophobicContact CD2-CB 4.31Å; W27-W39 HydrophobicContact CE3-CB 3.71Å; W27-W39 HydrophobicContact CG-CB 4.45Å; T28-W39 CarbonylContact O-C 2.98Å; T28-W39 WeakPolarHBondContact O-CA 3.41Å; M29-W39 HydrophobicContact CB-CG 4.49Å; T37-W39 HydrophobicContact CG2-CD2 4.02Å; T37-W39 HydrophobicContact CG2-CE3 4.02Å; T37-W39 HydrophobicContact CG2-CH2 3.3Å; T37-W39 HydrophobicContact CG2-CZ2 3.28Å; T37-W39 HydrophobicContact CG2-CZ3 3.66Å; T37-W39 VanDerWaalsContact O-CZ3 3.23Å; T37-W39 WeakPolarHBondContact O-CZ3 3.43Å; W39-I52 WeakPolarHBondContact O-CA 3.23Å; W39-K53 HydrophobicContact CB-CB 4.46Å; W39-K53 HydrophobicContact CE3-CG 4.16Å; W39-K53 PolarHBondContact N-O 3.4Å; W39-K53 PolarHBondContact O-N 3.25Å; W39-R55 HydrophobicContact CH2-CB 3.9Å; W39-R55 HydrophobicContact CZ3-CB 3.54Å |
| 40 | T | 89.2 | Confident | 78.9 | Confident | 30 Ų | 30 | 65.3 Ų | 65.3 | 18% | 0.184 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 145.4 | 171.5 | 59.7 | 0 | 0 | 0 | 0 | 109.9 | T28 T30 K51 I52 S188 | T28-T40 PolarHBondContact N-O 3.09Å; T28-T40 PolarHBondContact O-N 3.2Å; T30-T40 HydrophobicContact CG2-CG2 3.7Å; T30-T40 WeakPolarHBondContact CG2-OG1 3.35Å; T40-K51 CarbonylContact C-O 3.58Å; T40-K51 VanDerWaalsContact CA-O 3.31Å; T40-K51 WeakPolarHBondContact CA-O 3.41Å; T40-I52 HydrophobicContact CG2-CG1 4.31Å; T40-S188 VanDerWaalsContact CG2-OG 3.3Å; T40-S188 WeakPolarHBondContact CG2-OG 3.41Å |
| 41 | Q | 85.5 | Confident | 78.7 | Confident | 38 Ų | 38 | 64.5 Ų | 64.5 | 18% | 0.178 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 127.2 | 170 | 176.3 | 175.7 | 70 | 0 | 0 | 108.9 | G26 W27 L43 K51 | G26-Q41 WeakPolarHBondContact O-CG 3.44Å; G26-Q41 PolarHBondContact O-NE2 2.92Å; W27-Q41 HydrophobicContact CD2-CB 3.87Å; W27-Q41 HydrophobicContact CE3-CB 3.63Å; W27-Q41 HydrophobicContact CH2-CB 4.3Å; W27-Q41 HydrophobicContact CZ2-CB 4.46Å; W27-Q41 HydrophobicContact CZ3-CB 3.87Å; Q41-L43 HydrophobicContact CG-CD2 4.16Å; Q41-K51 HydrophobicContact CB-CB 4.15Å; Q41-K51 PolarHBondContact N-O 2.92Å; Q41-K51 PolarHBondContact O-N 3.47Å |
| 42 | V | 72.4 | Confident | 78.8 | Confident | 100 Ų | 100 | 63.5 Ų | 63.5 | 61% | 0.606 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 116.3 | 170.4 | -177.5 | 0 | 0 | 0 | 0 | 106.6 | ||
| 43 | L | 69 | Low | 78.8 | Confident | 68 Ų | 68 | 59.2 Ų | 59.2 | 36% | 0.356 | 35% | 0.346 | S | S | . | . | trans | -80.8 | -37.4 | -172.2 | -68.8 | 171.5 | 0 | 0 | 0 | 113 | Q41 V49 K51 Q172 | Q41-L43 HydrophobicContact CG-CD2 4.16Å; L43-V49 HydrophobicContact CD1-CB 4.5Å; L43-V49 HydrophobicContact CD1-CG1 3.91Å; L43-K51 HydrophobicContact CD1-CD 4.06Å; L43-K51 HydrophobicContact CD1-CG 3.99Å; L43-K51 HydrophobicContact CD2-CD 3.91Å; L43-K51 HydrophobicContact CG-CD 4.24Å; L43-K51 HydrophobicContact CG-CG 4.31Å; L43-Q172 VanDerWaalsContact CD1-NE2 3.26Å | ||
| 44 | E | 62.8 | Low | 79 | Confident | 102 Ų | 102 | 52.3 Ų | 52.3 | 48% | 0.477 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -149.3 | 136.6 | 179 | -70.2 | -176.9 | -140.8 | 0 | 0 | 110.2 | G46 K47 | E44-G46 PolarHBondContact O-N 3.45Å; E44-K47 HydrophobicContact CB-CB 4.15Å; E44-K47 HydrophobicContact CB-CD 4.13Å; E44-K47 HydrophobicContact CB-CG 4.15Å; E44-K47 HydrophobicContact CG-CD 4.42Å; E44-K47 PolarHBondContact O-N 3.35Å; E44-K47 IonicContact OE1-NZ 3.58Å; E44-K47 PolarHBondContact OE1-NZ 3.12Å; E44-K47 WeakPolarHBondContact OE2-CD 3.48Å; E44-K47 WeakPolarHBondContact OE2-CE 3.33Å; E44-K47 IonicContact OE2-NZ 2.8Å; E44-K47 PolarHBondContact OE2-NZ 3.19Å |
| 45 | E | 52.2 | Low | 79.5 | Confident | 203 Ų | 203 | 51.2 Ų | 51.2 | 95% | 0.949 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | 119.5 | 176.2 | -152.5 | 166.1 | -155.7 | 0 | 0 | 109.4 | ||
| 46 | G | 52.3 | Low | 79.9 | Confident | 87 Ų | 87 | 49.4 Ų | 49.4 | 90% | 0.897 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.6 | -7.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | E44 | E44-G46 PolarHBondContact O-N 3.45Š|
| 47 | K | 56.4 | Low | 79.9 | Confident | 118 Ų | 118 | 53 Ų | 53 | 51% | 0.513 | 29% | 0.29 | S | S | . | . | trans | -94.7 | 141.7 | 168.5 | -69.6 | -169.1 | -178.4 | 158.9 | 0 | 111.2 | E44 V49 | E44-K47 HydrophobicContact CB-CB 4.15Å; E44-K47 HydrophobicContact CB-CD 4.13Å; E44-K47 HydrophobicContact CB-CG 4.15Å; E44-K47 HydrophobicContact CG-CD 4.42Å; E44-K47 PolarHBondContact O-N 3.35Å; E44-K47 IonicContact OE1-NZ 3.58Å; E44-K47 PolarHBondContact OE1-NZ 3.12Å; E44-K47 WeakPolarHBondContact OE2-CD 3.48Å; E44-K47 WeakPolarHBondContact OE2-CE 3.33Å; E44-K47 IonicContact OE2-NZ 2.8Å; E44-K47 PolarHBondContact OE2-NZ 3.19Å; K47-V49 PolarHBondContact O-N 3.29Å | ||
| 48 | S | 58.8 | Low | 80 | Confident | 41 Ų | 41 | 51.6 Ų | 51.6 | 29% | 0.287 | 28% | 0.281 | S | S | . | . | trans | -72.2 | -5.2 | -178.2 | 46.6 | 0 | 0 | 0 | 0 | 114.9 | H50 D174 P175 | S48-H50 PolarHBondContact O-CD2 3.12Å; S48-H50 PolarHBondContact O-N 3.19Å; S48-H50 PolarHBondContact O-NE2 2.86Å; S48-D174 PolarHBondContact OG-OD1 3.04Å; S48-P175 WeakPolarHBondContact O-CD 3.32Å; S48-P175 VanDerWaalsContact O-CG 3.31Å; S48-P175 WeakPolarHBondContact O-CG 3.47Å | ||
| 49 | V | 64.9 | Low | 80 | Confident | 23 Ų | 23 | 58.8 Ų | 58.8 | 14% | 0.139 | 31% | 0.313 | C | S | . | . | trans | -78.2 | 115.8 | -170.3 | -176 | 0 | 0 | 0 | 0 | 110.6 | L43 K47 L151 Q172 D174 | L43-V49 HydrophobicContact CD1-CB 4.5Å; L43-V49 HydrophobicContact CD1-CG1 3.91Å; K47-V49 PolarHBondContact O-N 3.29Å; V49-L151 HydrophobicContact CG1-CD1 3.78Å; V49-L151 HydrophobicContact CG2-CD1 4.14Å; V49-Q172 HydrophobicContact CG1-CG 3.62Å; V49-D174 HydrophobicContact CG2-CB 4.15Å | ||
| 50 | H | 74.4 | Confident | 80.2 | Confident | 67 Ų | 67 | 63.5 Ų | 63.5 | 31% | 0.31 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 132.5 | 176.9 | -62 | -73.8 | 0 | 0 | 0 | 110.1 | S48 V173 | S48-H50 PolarHBondContact O-CD2 3.12Å; S48-H50 PolarHBondContact O-N 3.19Å; S48-H50 PolarHBondContact O-NE2 2.86Å; H50-V173 PolarHBondContact N-O 3.37Å; H50-V173 PolarHBondContact O-N 2.91Å |
| 51 | K | 86.6 | Confident | 80.6 | Confident | 25 Ų | 25 | 62.1 Ų | 62.1 | 11% | 0.109 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 130.2 | 165.9 | -77.4 | -170.5 | 178.3 | -177.2 | 0 | 109.8 | E20 W27 T40 Q41 L43 A171 Q172 | E20-K51 WeakPolarHBondContact OE1-CD 3.48Å; E20-K51 WeakPolarHBondContact OE1-CE 3.47Å; E20-K51 IonicContact OE1-NZ 2.88Å; E20-K51 PolarHBondContact OE1-NZ 3.16Å; E20-K51 IonicContact OE2-NZ 2.55Å; W27-K51 HydrophobicContact CH2-CB 3.64Å; W27-K51 HydrophobicContact CH2-CD 4.28Å; W27-K51 HydrophobicContact CZ2-CD 4.43Å; W27-K51 HydrophobicContact CZ3-CB 3.94Å; T40-K51 CarbonylContact C-O 3.58Å; T40-K51 VanDerWaalsContact CA-O 3.31Å; T40-K51 WeakPolarHBondContact CA-O 3.41Å; Q41-K51 HydrophobicContact CB-CB 4.15Å; Q41-K51 PolarHBondContact N-O 2.92Å; Q41-K51 PolarHBondContact O-N 3.47Å; L43-K51 HydrophobicContact CD1-CD 4.06Å; L43-K51 HydrophobicContact CD1-CG 3.99Å; L43-K51 HydrophobicContact CD2-CD 3.91Å; L43-K51 HydrophobicContact CG-CD 4.24Å; L43-K51 HydrophobicContact CG-CG 4.31Å; K51-A171 WeakPolarHBondContact CA-O 3.14Å; K51-Q172 HydrophobicContact CD-CG 4.41Å; K51-Q172 HydrophobicContact CG-CB 3.85Å; K51-Q172 HydrophobicContact CG-CG 3.69Å |
| 52 | I | 89.9 | Confident | 81.2 | Confident | 26 Ų | 26 | 62.2 Ų | 62.2 | 13% | 0.133 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 135.8 | 174.2 | -68.9 | 173.5 | 0 | 0 | 0 | 108 | V38 W39 T40 M170 A171 S187 | V38-I52 HydrophobicContact CG1-CG2 4.06Å; W39-I52 WeakPolarHBondContact O-CA 3.23Å; T40-I52 HydrophobicContact CG2-CG1 4.31Å; I52-M170 CarbonylContact O-C 3.6Å; I52-M170 WeakPolarHBondContact O-CA 3.23Å; I52-A171 PolarHBondContact N-O 2.88Å; I52-A171 PolarHBondContact O-N 2.83Å; I52-S187 WeakPolarHBondContact CD1-OG 3.49Å |
| 53 | K | 93.6 | Very high | 82.5 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 129 | 171.3 | 176.4 | 168.8 | 58.6 | -156.5 | 0 | 108.7 | E20 C23 W27 V38 W39 T168 Y169 | E20-K53 PolarHBondContact O-NZ 3.39Å; E20-K53 VanDerWaalsContact O-NZ 3.15Å; C23-K53 PolarHBondContact O-NZ 3.09Å; W27-K53 VanDerWaalsContact CD1-NZ 3.29Å; W27-K53 HydrophobicContact CE3-CB 4.09Å; W27-K53 HydrophobicContact CH2-CB 3.8Å; W27-K53 HydrophobicContact CZ2-CB 4.47Å; W27-K53 HydrophobicContact CZ3-CB 3.61Å; W27-K53 VanDerWaalsContact NE1-NZ 3.12Å; V38-K53 CarbonylContact C-O 3.54Å; V38-K53 VanDerWaalsContact CA-O 3.31Å; V38-K53 WeakPolarHBondContact CA-O 3.49Å; W39-K53 HydrophobicContact CB-CB 4.46Å; W39-K53 HydrophobicContact CE3-CG 4.16Å; W39-K53 PolarHBondContact N-O 3.4Å; W39-K53 PolarHBondContact O-N 3.25Å; K53-T168 HydrophobicContact CD-CG2 4.17Å; K53-T168 HydrophobicContact CG-CG2 3.88Å; K53-Y169 CarbonylContact C-O 3.56Å; K53-Y169 WeakPolarHBondContact CA-O 3.38Å |
| 54 | C | 95.8 | Very high | 83.9 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 119.2 | 178.9 | -175.5 | 0 | 0 | 0 | 0 | 108.8 | T37 V38 T168 Y169 A192 M196 | T37-C54 CarbonylContact O-C 3.6Å; T37-C54 WeakPolarHBondContact O-CA 3.35Å; V38-C54 HydrophobicContact CG2-CB 4.29Å; C54-T168 CarbonylContact O-C 3.57Å; C54-T168 WeakPolarHBondContact O-CA 3.32Å; C54-Y169 HydrophobicContact CB-CD1 4.38Å; C54-Y169 PolarHBondContact N-O 2.79Å; C54-Y169 PolarHBondContact O-N 2.93Å; C54-A192 HydrophobicContact CB-CB 4.31Å; C54-M196 HydrophobicContact CB-CG 4.46Å; C54-M196 WeakPolarHBondContact O-CE 3.18Å |
| 55 | R | 97.7 | Very high | 85.6 | Confident | 50 Ų | 50 | 57.4 Ų | 57.4 | 19% | 0.189 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 133.6 | 177.4 | -172.2 | -179.9 | -68.5 | 163.5 | 2 | 109.1 | C21 E24 I36 T37 W39 T166 L167 | C21-R55 PolarHBondContact O-NH2 3.42Å; E24-R55 IonicContact OE1-NH1 2.73Å; I36-R55 CarbonylContact C-O 3.54Å; I36-R55 VanDerWaalsContact CA-O 3.31Å; I36-R55 WeakPolarHBondContact CA-O 3.47Å; T37-R55 PolarHBondContact N-O 3.22Å; T37-R55 PolarHBondContact O-N 3.27Å; W39-R55 HydrophobicContact CH2-CB 3.9Å; W39-R55 HydrophobicContact CZ3-CB 3.54Å; R55-T166 HydrophobicContact CG-CG2 3.52Å; R55-L167 CarbonylContact C-O 3.55Å; R55-L167 WeakPolarHBondContact CA-O 3.24Å |
| 56 | M | 98 | Very high | 87.8 | Confident | 8 Ų | 8 | 47.7 Ų | 47.7 | 4% | 0.039 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 130.2 | 178 | -175.6 | 171.1 | 78.4 | 0 | 0 | 111.3 | G35 I36 C58 T166 L167 M196 K197 | G35-M56 WeakPolarHBondContact O-CA 3.47Å; I36-M56 HydrophobicContact CD1-CG 4.23Å; I36-M56 HydrophobicContact CD1-SD 3.65Å; I36-M56 HydrophobicContact CG1-CB 3.92Å; I36-M56 HydrophobicContact CG1-CG 3.48Å; I36-M56 VanDerWaalsContact CG1-CG 3.48Å; I36-M56 HydrophobicContact CG1-SD 3.6Å; M56-C58 WeakPolarHBondContact CE-SG 3.34Å; M56-C58 PolarHBondContact O-N 3.17Å; M56-T166 WeakPolarHBondContact O-CA 3.35Å; M56-L167 PolarHBondContact N-O 2.91Å; M56-L167 PolarHBondContact O-N 2.8Å; M56-M196 HydrophobicContact CB-CE 3.89Å; M56-M196 HydrophobicContact CE-CB 4.02Å; M56-M196 VanDerWaalsContact CE-O 3.24Å; M56-M196 WeakPolarHBondContact CE-O 3.49Å; M56-M196 HydrophobicContact SD-CB 3.91Å; M56-K197 HydrophobicContact SD-CG 4.2Å |
| 57 | V | 96.7 | Very high | 90 | Very high | 78 Ų | 78 | 43.7 Ų | 43.7 | 47% | 0.473 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 118.5 | 167.3 | -178.3 | 0 | 0 | 0 | 0 | 108.6 | G35 | G35-V57 PolarHBondContact O-N 3.18Å; G35-V57 VanDerWaalsContact O-N 3.07Å |
| 58 | C | 97.1 | Very high | 92 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 102.6 | -179.7 | -52.1 | 0 | 0 | 0 | 0 | 108.5 | M56 V61 M66 C165 | M56-C58 WeakPolarHBondContact CE-SG 3.34Å; M56-C58 PolarHBondContact O-N 3.17Å; C58-V61 HydrophobicContact CB-CB 4.03Å; C58-V61 HydrophobicContact CB-CG2 4.43Å; C58-M66 HydrophobicContact CB-CE 4.12Å; C58-M66 VanDerWaalsContact SG-CE 3.51Å; C58-C165 WeakPolarHBondContact CA-O 3.21Å; C58-C165 WeakPolarHBondContact CB-O 3.48Å; C58-C165 PolarHBondContact N-O 2.96Å; C58-C165 PolarHBondContact O-N 3.01Å |
| 59 | K | 94.9 | Very high | 93.9 | Very high | 151 Ų | 151 | 36.6 Ų | 36.6 | 66% | 0.657 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | 146.7 | 174 | -62.8 | -175.7 | -179.6 | -176 | 0 | 110.4 | V61 N164 | K59-V61 PolarHBondContact O-N 3.16Å; K59-V61 VanDerWaalsContact O-N 3.11Å; K59-N164 VanDerWaalsContact CA-OD1 3.3Å; K59-N164 WeakPolarHBondContact CA-OD1 3.35Å |
| 60 | D | 96.6 | Very high | 95.5 | Very high | 118 Ų | 118 | 35.8 Ų | 35.8 | 63% | 0.631 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 21.5 | 176.9 | -47.6 | -54.6 | 0 | 0 | 0 | 113.7 | T163 N164 L204 | D60-T163 CarbonylContact C-O 3.17Å; D60-T163 WeakPolarHBondContact CA-O 3.46Å; D60-T163 PolarHBondContact N-O 3.32Å; D60-T163 VanDerWaalsContact N-O 3.12Å; D60-N164 PolarHBondContact N-OD1 2.94Å; D60-L204 HydrophobicContact CB-CD2 4.23Å; D60-L204 WeakPolarHBondContact O-CD2 3.28Å |
| 61 | V | 97.9 | Very high | 96.6 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | trans | -124.4 | 107.5 | 174.8 | 178.8 | 0 | 0 | 0 | 0 | 109 | C58 K59 M66 T163 N164 C165 C203 L204 | C58-V61 HydrophobicContact CB-CB 4.03Å; C58-V61 HydrophobicContact CB-CG2 4.43Å; K59-V61 PolarHBondContact O-N 3.16Å; K59-V61 VanDerWaalsContact O-N 3.11Å; V61-M66 HydrophobicContact CG1-CB 4.09Å; V61-M66 HydrophobicContact CG1-CE 4.02Å; V61-T163 CarbonylContact C-O 3.31Å; V61-T163 VanDerWaalsContact C-O 3.31Å; V61-T163 PolarHBondContact N-O 2.94Å; V61-N164 CarbonylContact O-C 3.59Å; V61-N164 VanDerWaalsContact O-CA 3.28Å; V61-N164 WeakPolarHBondContact O-CA 3.3Å; V61-C165 PolarHBondContact O-N 2.84Å; V61-C165 VanDerWaalsContact O-N 3.12Å; V61-C203 HydrophobicContact CB-CB 4.26Å; V61-C203 HydrophobicContact CG1-CB 3.49Å; V61-C203 VanDerWaalsContact CG1-CB 3.49Å; V61-C203 HydrophobicContact CG2-CB 3.68Å; V61-L204 HydrophobicContact CG2-CD2 3.82Å; V61-L204 HydrophobicContact CG2-CG 4.39Å | ||
| 62 | P | 98.1 | Very high | 97.2 | Very high | 40 Ų | 40 | 31.8 Ų | 31.8 | 26% | 0.26 | 16% | 0.161 | S | C | . | . | trans | -60.9 | 149.6 | 168.5 | -20.3 | 31.3 | 0 | 0 | 0 | 111.7 | E64 T65 M66 P162 | P62-E64 VanDerWaalsContact C-N 3.26Å; P62-E64 PolarHBondContact O-N 3.11Å; P62-T65 PolarHBondContact O-N 3.17Å; P62-M66 PolarHBondContact O-N 3.03Å; P62-M66 VanDerWaalsContact O-N 3.12Å; P62-P162 WeakPolarHBondContact CB-O 3.26Å; P62-P162 WeakPolarHBondContact CG-O 3.44Å | ||
| 63 | A | 98.4 | Very high | 97.5 | Very high | 8 Ų | 8 | 32.8 Ų | 32.8 | 7% | 0.066 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.7 | -36.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | M66 Y67 Y127 I157 C165 | A63-M66 WeakPolarHBondContact O-CB 3.37Å; A63-M66 PolarHBondContact O-N 3.31Å; A63-Y67 WeakPolarHBondContact O-CB 3.35Å; A63-Y67 PolarHBondContact O-N 3.42Å; A63-Y127 HydrophobicContact CB-CD2 4.24Å; A63-Y127 HydrophobicContact CB-CE2 3.95Å; A63-I157 HydrophobicContact CB-CG2 3.76Å; A63-C165 HydrophobicContact CB-CB 3.97Å |
| 64 | E | 98.1 | Very high | 97.6 | Very high | 131 Ų | 131 | 37.3 Ų | 37.3 | 61% | 0.612 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -63.1 | -44.4 | 176.6 | -69.5 | 166.7 | -159.7 | 0 | 0 | 112.2 | P62 M66 Y67 D68 Y127 | P62-E64 VanDerWaalsContact C-N 3.26Å; P62-E64 PolarHBondContact O-N 3.11Å; E64-M66 VanDerWaalsContact C-N 3.33Å; E64-M66 PolarHBondContact O-N 3.37Å; E64-Y67 WeakPolarHBondContact O-CB 3.41Å; E64-Y67 PolarHBondContact O-N 3.2Å; E64-D68 PolarHBondContact O-N 3Å; E64-Y127 HydrophobicContact CG-CE2 4.5Å; E64-Y127 WeakPolarHBondContact CG-OH 3.46Å |
| 65 | T | 98.6 | Very high | 97.7 | Very high | 30 Ų | 30 | 37.7 Ų | 37.7 | 18% | 0.184 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.8 | -41.9 | 176.1 | -55.5 | 0 | 0 | 0 | 0 | 111.2 | P62 Y67 D68 V69 C203 Y206 | P62-T65 PolarHBondContact O-N 3.17Å; T65-Y67 VanDerWaalsContact C-N 3.32Å; T65-D68 PolarHBondContact O-N 3.41Å; T65-V69 WeakPolarHBondContact O-CB 3.32Å; T65-V69 VanDerWaalsContact O-CG2 3.23Å; T65-V69 WeakPolarHBondContact O-CG2 3.32Å; T65-V69 PolarHBondContact O-N 3.3Å; T65-C203 HydrophobicContact CG2-CB 4.03Å; T65-C203 WeakPolarHBondContact CG2-O 3.49Å; T65-Y206 HydrophobicContact CG2-CD1 4.24Å |
| 66 | M | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.9 | -44 | 175 | -179.1 | 64.5 | 73.5 | 0 | 0 | 111.3 | C58 V61 P62 A63 E64 V69 L70 I157 L167 I199 C203 | C58-M66 HydrophobicContact CB-CE 4.12Å; C58-M66 VanDerWaalsContact SG-CE 3.51Å; V61-M66 HydrophobicContact CG1-CB 4.09Å; V61-M66 HydrophobicContact CG1-CE 4.02Å; P62-M66 PolarHBondContact O-N 3.03Å; P62-M66 VanDerWaalsContact O-N 3.12Å; A63-M66 WeakPolarHBondContact O-CB 3.37Å; A63-M66 PolarHBondContact O-N 3.31Å; E64-M66 VanDerWaalsContact C-N 3.33Å; E64-M66 PolarHBondContact O-N 3.37Å; M66-V69 PolarHBondContact O-N 2.89Å; M66-L70 HydrophobicContact CG-CD1 4.42Å; M66-L70 WeakPolarHBondContact O-CG 3.3Å; M66-L70 PolarHBondContact O-N 2.88Å; M66-L70 VanDerWaalsContact O-N 3.11Å; M66-I157 HydrophobicContact CB-CD1 4.25Å; M66-I157 HydrophobicContact CB-CG2 4.14Å; M66-I157 HydrophobicContact CG-CD1 3.77Å; M66-I157 HydrophobicContact CG-CG1 3.81Å; M66-I157 HydrophobicContact CG-CG2 4.05Å; M66-L167 HydrophobicContact CE-CB 4.25Å; M66-L167 HydrophobicContact CE-CD2 4.01Å; M66-L167 HydrophobicContact CG-CD1 4.07Å; M66-L167 HydrophobicContact SD-CD1 4.16Å; M66-L167 HydrophobicContact SD-CD2 3.84Å; M66-L167 HydrophobicContact SD-CG 4.46Å; M66-I199 HydrophobicContact CE-CG2 4.29Å; M66-I199 HydrophobicContact SD-CG2 3.48Å; M66-I199 WeakPolarHBondContact SD-CG2 3.31Å; M66-C203 VanDerWaalsContact SD-SG 3.68Å |
| 67 | Y | 98.7 | Very high | 97.4 | Very high | 3 Ų | 3 | 42.8 Ų | 42.8 | 1% | 0.012 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.2 | -47.6 | 178.1 | -174.8 | -110.8 | 0 | 0 | 0 | 111.7 | A63 E64 T65 V69 L70 H71 Y127 I129 I157 L221 | A63-Y67 WeakPolarHBondContact O-CB 3.35Å; A63-Y67 PolarHBondContact O-N 3.42Å; E64-Y67 WeakPolarHBondContact O-CB 3.41Å; E64-Y67 PolarHBondContact O-N 3.2Å; T65-Y67 VanDerWaalsContact C-N 3.32Å; Y67-V69 PolarHBondContact O-N 2.97Å; Y67-L70 PolarHBondContact O-N 2.77Å; Y67-H71 AromaticContact CD2-CD2 3.9Å; Y67-H71 AromaticContact CE1-CD2 3.77Å; Y67-H71 AromaticContact CE1-NE2 3.99Å; Y67-H71 AromaticContact CE2-CD2 3.57Å; Y67-H71 AromaticContact CE2-NE2 3.3Å; Y67-H71 VanDerWaalsContact CE2-NE2 3.3Å; Y67-H71 WeakPolarHBondContact CE2-NE2 3.22Å; Y67-H71 AromaticContact CZ-CD2 3.5Å; Y67-H71 VanDerWaalsContact CZ-CD2 3.5Å; Y67-H71 AromaticContact CZ-NE2 3.25Å; Y67-H71 VanDerWaalsContact CZ-NE2 3.25Å; Y67-H71 PolarHBondContact O-CD2 3.43Å; Y67-H71 PolarHBondContact O-N 3.31Å; Y67-H71 PolarHBondContact OH-NE2 2.85Å; Y67-Y127 AromaticContact CD1-CD1 3.98Å; Y67-Y127 HydrophobicContact CD1-CD1 3.98Å; Y67-Y127 HydrophobicContact CD1-CE1 4.12Å; Y67-Y127 VanDerWaalsContact CD2-CB 3.47Å; Y67-Y127 AromaticContact CD2-CD1 3.61Å; Y67-Y127 HydrophobicContact CD2-CD1 3.61Å; Y67-Y127 HydrophobicContact CD2-CD2 4.47Å; Y67-Y127 AromaticContact CD2-CG 3.6Å; Y67-Y127 HydrophobicContact CD2-CG 3.6Å; Y67-Y127 HydrophobicContact CE1-CD1 4.12Å; Y67-Y127 HydrophobicContact CE1-CE1 4.36Å; Y67-Y127 AromaticContact CE2-CD1 3.75Å; Y67-Y127 HydrophobicContact CE2-CD1 3.75Å; Y67-Y127 HydrophobicContact CE2-CG 4.07Å; Y67-Y127 AromaticContact CG-CD1 3.71Å; Y67-Y127 HydrophobicContact CG-CD1 3.71Å; Y67-Y127 HydrophobicContact CG-CD2 4.42Å; Y67-Y127 HydrophobicContact CG-CE1 4.18Å; Y67-Y127 AromaticContact CG-CG 3.86Å; Y67-Y127 HydrophobicContact CG-CG 3.86Å; Y67-Y127 AromaticContact CZ-CD1 3.99Å; Y67-I129 HydrophobicContact CD2-CD1 3.89Å; Y67-I129 HydrophobicContact CD2-CG1 4.17Å; Y67-I129 HydrophobicContact CE2-CD1 3.91Å; Y67-I129 HydrophobicContact CE2-CG1 3.81Å; Y67-I157 HydrophobicContact CD2-CD1 4.04Å; Y67-I157 HydrophobicContact CG-CD1 4.48Å; Y67-L221 HydrophobicContact CD1-CD2 4.02Å; Y67-L221 HydrophobicContact CE1-CD2 3.73Å |
| 68 | D | 98.6 | Very high | 97.3 | Very high | 9 Ų | 9 | 46.2 Ų | 46.2 | 5% | 0.048 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.2 | -47.2 | 176.6 | -76.2 | -20.8 | 0 | 0 | 0 | 112.2 | E64 T65 L70 H71 D72 Y206 K218 W220 | E64-D68 PolarHBondContact O-N 3Å; T65-D68 PolarHBondContact O-N 3.41Å; D68-L70 VanDerWaalsContact C-N 3.26Å; D68-L70 PolarHBondContact O-N 3.1Å; D68-H71 PolarHBondContact O-N 2.9Å; D68-H71 VanDerWaalsContact O-N 3.12Å; D68-D72 WeakPolarHBondContact O-CB 3.44Å; D68-D72 PolarHBondContact O-N 3.31Å; D68-Y206 HydrophobicContact CB-CD1 4.08Å; D68-Y206 HydrophobicContact CB-CE1 3.33Å; D68-K218 IonicContact OD1-NZ 3.99Å; D68-K218 IonicContact OD2-NZ 2.68Å; D68-K218 PolarHBondContact OD2-NZ 3.32Å; D68-W220 HydrophobicContact CB-CZ2 4.46Å; D68-W220 PolarHBondContact OD1-NE1 2.83Å |
| 69 | V | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.3 | -33.9 | -179.5 | 168.6 | 0 | 0 | 0 | 0 | 112.3 | T65 M66 Y67 Y75 W79 I199 A202 C203 Y206 | T65-V69 WeakPolarHBondContact O-CB 3.32Å; T65-V69 VanDerWaalsContact O-CG2 3.23Å; T65-V69 WeakPolarHBondContact O-CG2 3.32Å; T65-V69 PolarHBondContact O-N 3.3Å; M66-V69 PolarHBondContact O-N 2.89Å; Y67-V69 PolarHBondContact O-N 2.97Å; V69-Y75 HydrophobicContact CG1-CD1 4.32Å; V69-Y75 HydrophobicContact CG1-CE1 4.44Å; V69-Y75 HydrophobicContact CG2-CD1 4.24Å; V69-Y75 HydrophobicContact CG2-CE1 4.18Å; V69-W79 HydrophobicContact CG1-CZ2 4.42Å; V69-I199 HydrophobicContact CG1-CG2 4.44Å; V69-A202 HydrophobicContact CG1-CB 4.2Å; V69-C203 HydrophobicContact CG2-CB 4.39Å; V69-Y206 HydrophobicContact CG2-CD1 3.99Å; V69-Y206 HydrophobicContact CG2-CD2 3.75Å; V69-Y206 HydrophobicContact CG2-CE2 4.44Å; V69-Y206 HydrophobicContact CG2-CG 3.46Å; V69-Y206 VanDerWaalsContact CG2-CG 3.46Å |
| 70 | L | 98.3 | Very high | 97.1 | Very high | 7 Ų | 7 | 41.9 Ų | 41.9 | 4% | 0.037 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -72.7 | -31.8 | 177.4 | -71.7 | 178.5 | 0 | 0 | 0 | 112.4 | M66 Y67 D68 R76 I129 Y155 I157 L167 I199 | M66-L70 HydrophobicContact CG-CD1 4.42Å; M66-L70 WeakPolarHBondContact O-CG 3.3Å; M66-L70 PolarHBondContact O-N 2.88Å; M66-L70 VanDerWaalsContact O-N 3.11Å; Y67-L70 PolarHBondContact O-N 2.77Å; D68-L70 VanDerWaalsContact C-N 3.26Å; D68-L70 PolarHBondContact O-N 3.1Å; L70-R76 PolarHBondContact O-NH2 3.06Å; L70-I129 HydrophobicContact CB-CD1 3.73Å; L70-I129 HydrophobicContact CD1-CD1 4.11Å; L70-Y155 HydrophobicContact CD1-CD1 4.01Å; L70-Y155 HydrophobicContact CD1-CD2 3.95Å; L70-Y155 HydrophobicContact CD1-CG 3.62Å; L70-Y155 HydrophobicContact CD2-CD1 4.25Å; L70-Y155 HydrophobicContact CD2-CD2 4.24Å; L70-Y155 HydrophobicContact CD2-CE1 4.06Å; L70-Y155 HydrophobicContact CD2-CE2 4.06Å; L70-Y155 HydrophobicContact CD2-CG 4.33Å; L70-I157 HydrophobicContact CD1-CD1 3.92Å; L70-I157 HydrophobicContact CD1-CG1 4.33Å; L70-L167 HydrophobicContact CD1-CD1 4.14Å; L70-I199 HydrophobicContact CD2-CD1 4.25Å; L70-I199 HydrophobicContact CD2-CG2 4.12Å |
| 71 | H | 98.5 | Very high | 96.8 | Very high | 4 Ų | 4 | 39.6 Ų | 39.6 | 2% | 0.019 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -83.5 | -34.8 | 178.4 | -87.5 | -72.2 | 0 | 0 | 0 | 114.4 | Y67 D68 I73 W120 I129 W220 | Y67-H71 AromaticContact CD2-CD2 3.9Å; Y67-H71 AromaticContact CE1-CD2 3.77Å; Y67-H71 AromaticContact CE1-NE2 3.99Å; Y67-H71 AromaticContact CE2-CD2 3.57Å; Y67-H71 AromaticContact CE2-NE2 3.3Å; Y67-H71 VanDerWaalsContact CE2-NE2 3.3Å; Y67-H71 WeakPolarHBondContact CE2-NE2 3.22Å; Y67-H71 AromaticContact CZ-CD2 3.5Å; Y67-H71 VanDerWaalsContact CZ-CD2 3.5Å; Y67-H71 AromaticContact CZ-NE2 3.25Å; Y67-H71 VanDerWaalsContact CZ-NE2 3.25Å; Y67-H71 PolarHBondContact O-CD2 3.43Å; Y67-H71 PolarHBondContact O-N 3.31Å; Y67-H71 PolarHBondContact OH-NE2 2.85Å; D68-H71 PolarHBondContact O-N 2.9Å; D68-H71 VanDerWaalsContact O-N 3.12Å; H71-I73 PolarHBondContact O-N 3.04Å; H71-W120 AromaticContact CE1-CD2 3.38Å; H71-W120 AromaticContact CE1-CE2 3.89Å; H71-W120 AromaticContact CE1-CE3 3.57Å; H71-W120 AromaticContact CE1-CG 3.56Å; H71-W120 AromaticContact NE2-CG 3.74Å; H71-I129 WeakPolarHBondContact NE2-CD1 3.34Å; H71-W220 HydrophobicContact CB-CB 3.86Å; H71-W220 HydrophobicContact CB-CD2 3.38Å; H71-W220 HydrophobicContact CB-CE3 3.75Å; H71-W220 HydrophobicContact CB-CG 3.41Å; H71-W220 VanDerWaalsContact CB-CG 3.41Å; H71-W220 HydrophobicContact CB-CZ3 4.45Å; H71-W220 AromaticContact CG-CD1 3.93Å; H71-W220 AromaticContact CG-CG 3.56Å |
| 72 | D | 98 | Very high | 96.6 | Very high | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | trans | -72.4 | 93.2 | -171.6 | -162.7 | -37 | 0 | 0 | 0 | 111.7 | D68 E74 Y75 R76 Y206 K210 W220 | D68-D72 WeakPolarHBondContact O-CB 3.44Å; D68-D72 PolarHBondContact O-N 3.31Å; D72-E74 PolarHBondContact O-N 2.93Å; D72-E74 WeakPolarHBondContact OD1-CB 3.45Å; D72-E74 PolarHBondContact OD1-N 2.89Å; D72-Y75 PolarHBondContact O-N 3.27Å; D72-Y75 PolarHBondContact OD1-N 3.11Å; D72-R76 PolarHBondContact O-N 2.82Å; D72-Y206 HydrophobicContact CB-CE2 4.03Å; D72-Y206 WeakPolarHBondContact OD2-CE2 3.28Å; D72-Y206 PolarHBondContact OD2-OH 2.82Å; D72-K210 IonicContact OD2-NZ 2.98Å; D72-K210 PolarHBondContact OD2-NZ 2.88Å; D72-W220 HydrophobicContact CB-CH2 3.51Å; D72-W220 HydrophobicContact CB-CZ2 4Å; D72-W220 HydrophobicContact CB-CZ3 4.17Å; D72-W220 WeakPolarHBondContact OD2-CH2 3.32Å | ||
| 73 | I | 95.5 | Very high | 96.4 | Very high | 46 Ų | 46 | 42.1 Ų | 42.1 | 24% | 0.236 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.5 | -26.9 | -179.3 | 62 | 165.3 | 0 | 0 | 0 | 112.9 | H71 R76 | H71-I73 PolarHBondContact O-N 3.04Å; I73-R76 WeakPolarHBondContact O-CB 3.37Å |
| 74 | E | 95.8 | Very high | 96.2 | Very high | 96 Ų | 96 | 44.7 Ų | 44.7 | 45% | 0.449 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -71.1 | -45.9 | 175.5 | -173.6 | -174.6 | 172.3 | 0 | 0 | 108.9 | D72 R76 R77 W209 H213 | D72-E74 PolarHBondContact O-N 2.93Å; D72-E74 WeakPolarHBondContact OD1-CB 3.45Å; D72-E74 PolarHBondContact OD1-N 2.89Å; E74-R76 VanDerWaalsContact C-N 3.3Å; E74-R76 PolarHBondContact O-N 3.17Å; E74-R77 WeakPolarHBondContact O-CB 3.46Å; E74-R77 PolarHBondContact O-N 2.98Å; E74-W209 HydrophobicContact CB-CH2 4.09Å; E74-W209 HydrophobicContact CG-CH2 3.89Å; E74-W209 HydrophobicContact CG-CZ2 4.06Å; E74-H213 IonicContact OE1-CD2 3.52Å |
| 75 | Y | 97.9 | Very high | 96.1 | Very high | 7 Ų | 7 | 41.6 Ų | 41.6 | 3% | 0.027 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.3 | -34 | 175.5 | -165.9 | -127.7 | 0 | 0 | 0 | 112.8 | V69 D72 R77 K78 W79 A202 K205 Y206 W209 | V69-Y75 HydrophobicContact CG1-CD1 4.32Å; V69-Y75 HydrophobicContact CG1-CE1 4.44Å; V69-Y75 HydrophobicContact CG2-CD1 4.24Å; V69-Y75 HydrophobicContact CG2-CE1 4.18Å; D72-Y75 PolarHBondContact O-N 3.27Å; D72-Y75 PolarHBondContact OD1-N 3.11Å; Y75-R77 PolarHBondContact O-N 2.66Å; Y75-K78 HydrophobicContact CD2-CB 3.98Å; Y75-K78 HydrophobicContact CD2-CG 4.33Å; Y75-K78 HydrophobicContact CE2-CB 4.23Å; Y75-K78 HydrophobicContact CE2-CG 4.12Å; Y75-K78 WeakPolarHBondContact O-CA 3.44Å; Y75-K78 VanDerWaalsContact O-CB 3.26Å; Y75-K78 WeakPolarHBondContact O-CB 3.48Å; Y75-K78 PolarHBondContact O-N 2.89Å; Y75-W79 AromaticContact CD1-CD1 3.35Å; Y75-W79 AromaticContact CD1-NE1 3.73Å; Y75-W79 AromaticContact CE1-CD1 3.53Å; Y75-W79 HydrophobicContact CE1-CG 4.36Å; Y75-W79 AromaticContact CG-CD1 3.88Å; Y75-W79 PolarHBondContact O-N 3.49Å; Y75-A202 HydrophobicContact CE1-CB 3.93Å; Y75-A202 PolarHBondContact OH-O 2.88Å; Y75-K205 WeakPolarHBondContact OH-CB 3.37Å; Y75-Y206 AromaticContact CD1-CD2 3.33Å; Y75-Y206 HydrophobicContact CD1-CD2 3.33Å; Y75-Y206 AromaticContact CD1-CE2 3.85Å; Y75-Y206 HydrophobicContact CD1-CE2 3.85Å; Y75-Y206 HydrophobicContact CD1-CG 4.37Å; Y75-Y206 HydrophobicContact CD2-CD2 4.28Å; Y75-Y206 AromaticContact CE1-CD2 3.54Å; Y75-Y206 HydrophobicContact CE1-CD2 3.54Å; Y75-Y206 HydrophobicContact CE1-CE2 4.48Å; Y75-Y206 HydrophobicContact CE1-CG 4.24Å; Y75-Y206 HydrophobicContact CE2-CD2 4.44Å; Y75-Y206 AromaticContact CG-CD2 3.73Å; Y75-Y206 HydrophobicContact CG-CD2 3.73Å; Y75-Y206 AromaticContact CG-CE2 3.93Å; Y75-Y206 HydrophobicContact CG-CE2 3.93Å; Y75-W209 HydrophobicContact CD2-CB 4.27Å; Y75-W209 AromaticContact CD2-CD2 3.17Å; Y75-W209 HydrophobicContact CD2-CD2 3.17Å; Y75-W209 AromaticContact CD2-CE2 3.54Å; Y75-W209 AromaticContact CD2-CE3 3.31Å; Y75-W209 HydrophobicContact CD2-CE3 3.31Å; Y75-W209 AromaticContact CD2-CG 3.6Å; Y75-W209 HydrophobicContact CD2-CG 3.6Å; Y75-W209 HydrophobicContact CD2-CH2 4.15Å; Y75-W209 HydrophobicContact CD2-CZ2 4.03Å; Y75-W209 AromaticContact CD2-CZ3 3.81Å; Y75-W209 HydrophobicContact CD2-CZ3 3.81Å; Y75-W209 HydrophobicContact CE2-CB 3.68Å; Y75-W209 AromaticContact CE2-CD1 3.88Å; Y75-W209 AromaticContact CE2-CD2 3.53Å; Y75-W209 HydrophobicContact CE2-CD2 3.53Å; Y75-W209 AromaticContact CE2-CE3 3.93Å; Y75-W209 HydrophobicContact CE2-CE3 3.93Å; Y75-W209 AromaticContact CE2-CG 3.38Å; Y75-W209 HydrophobicContact CE2-CG 3.38Å; Y75-W209 HydrophobicContact CG-CD2 4.16Å; Y75-W209 AromaticContact CG-CE3 3.84Å; Y75-W209 HydrophobicContact CG-CE3 3.84Å; Y75-W209 HydrophobicContact CG-CH2 4.47Å; Y75-W209 HydrophobicContact CG-CZ3 4.02Å |
| 76 | R | 96.3 | Very high | 96.1 | Very high | 32 Ų | 32 | 40.7 Ų | 40.7 | 12% | 0.121 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -50.5 | -44.5 | 175 | -172.4 | 70.2 | 63.4 | 159.9 | 3 | 111.6 | L70 D72 I73 E74 K78 W79 D80 V83 | L70-R76 PolarHBondContact O-NH2 3.06Å; D72-R76 PolarHBondContact O-N 2.82Å; I73-R76 WeakPolarHBondContact O-CB 3.37Å; E74-R76 VanDerWaalsContact C-N 3.3Å; E74-R76 PolarHBondContact O-N 3.17Å; R76-K78 PolarHBondContact O-N 2.8Å; R76-W79 VanDerWaalsContact CD-CZ2 3.47Å; R76-W79 VanDerWaalsContact CZ-CZ2 3.45Å; R76-W79 PolarHBondContact O-N 2.91Å; R76-D80 HydrophobicContact CG-CB 4.29Å; R76-D80 VanDerWaalsContact O-CB 3.26Å; R76-D80 WeakPolarHBondContact O-CB 3.19Å; R76-D80 PolarHBondContact O-N 3.27Å; R76-V83 HydrophobicContact CG-CG2 4.09Å |
| 77 | R | 94 | Very high | 96 | Very high | 133 Ų | 133 | 43.1 Ų | 43.1 | 50% | 0.502 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.5 | -23.2 | 178 | -64 | 172.4 | 177.3 | -104.1 | 9.8 | 113.1 | E74 Y75 V83 T86 | E74-R77 WeakPolarHBondContact O-CB 3.46Å; E74-R77 PolarHBondContact O-N 2.98Å; Y75-R77 PolarHBondContact O-N 2.66Å; R77-V83 HydrophobicContact CG-CG1 4.41Å; R77-T86 HydrophobicContact CG-CG2 3.74Å; R77-T86 PolarHBondContact NE-O 3.4Å; R77-T86 PolarHBondContact NH2-O 3.37Å |
| 78 | K | 94.9 | Very high | 96 | Very high | 151 Ų | 151 | 44.9 Ų | 44.9 | 66% | 0.657 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -80.7 | -41.4 | 180 | -178.7 | 57.9 | -179.1 | 177.6 | 0 | 112.8 | Y75 R76 | Y75-K78 HydrophobicContact CD2-CB 3.98Å; Y75-K78 HydrophobicContact CD2-CG 4.33Å; Y75-K78 HydrophobicContact CE2-CB 4.23Å; Y75-K78 HydrophobicContact CE2-CG 4.12Å; Y75-K78 WeakPolarHBondContact O-CA 3.44Å; Y75-K78 VanDerWaalsContact O-CB 3.26Å; Y75-K78 WeakPolarHBondContact O-CB 3.48Å; Y75-K78 PolarHBondContact O-N 2.89Å; R76-K78 PolarHBondContact O-N 2.8Å |
| 79 | W | 94.8 | Very high | 95.9 | Very high | 38 Ų | 38 | 45.7 Ų | 45.7 | 14% | 0.144 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -105 | -24.1 | -172 | 69.6 | -101.3 | 0 | 0 | 0 | 113.9 | V69 Y75 R76 S81 K198 I199 A202 | V69-W79 HydrophobicContact CG1-CZ2 4.42Å; Y75-W79 AromaticContact CD1-CD1 3.35Å; Y75-W79 AromaticContact CD1-NE1 3.73Å; Y75-W79 AromaticContact CE1-CD1 3.53Å; Y75-W79 HydrophobicContact CE1-CG 4.36Å; Y75-W79 AromaticContact CG-CD1 3.88Å; Y75-W79 PolarHBondContact O-N 3.49Å; R76-W79 VanDerWaalsContact CD-CZ2 3.47Å; R76-W79 VanDerWaalsContact CZ-CZ2 3.45Å; R76-W79 PolarHBondContact O-N 2.91Å; W79-S81 PolarHBondContact O-N 3.4Å; W79-K198 HydrophobicContact CE3-CB 4.35Å; W79-K198 HydrophobicContact CZ3-CB 4.16Å; W79-I199 HydrophobicContact CH2-CB 4.29Å; W79-I199 HydrophobicContact CH2-CD1 4.3Å; W79-I199 HydrophobicContact CH2-CG1 3.27Å; W79-I199 HydrophobicContact CZ2-CG1 3.96Å; W79-I199 HydrophobicContact CZ3-CG1 3.85Å; W79-A202 HydrophobicContact CB-CB 3.74Å; W79-A202 HydrophobicContact CD2-CB 3.66Å; W79-A202 HydrophobicContact CE3-CB 4.21Å; W79-A202 HydrophobicContact CG-CB 3.44Å; W79-A202 VanDerWaalsContact CG-CB 3.44Å |
| 80 | D | 92.9 | Very high | 95.9 | Very high | 22 Ų | 22 | 45.7 Ų | 45.7 | 12% | 0.118 | 22% | 0.219 | C | C | . | . | trans | -91.5 | 95.5 | 178.3 | -165.5 | -20.1 | 0 | 0 | 0 | 110.8 | R76 N82 V83 Y101 | R76-D80 HydrophobicContact CG-CB 4.29Å; R76-D80 VanDerWaalsContact O-CB 3.26Å; R76-D80 WeakPolarHBondContact O-CB 3.19Å; R76-D80 PolarHBondContact O-N 3.27Å; D80-N82 PolarHBondContact O-N 3.22Å; D80-N82 VanDerWaalsContact O-N 3.1Å; D80-N82 WeakPolarHBondContact OD1-CB 3.46Å; D80-N82 PolarHBondContact OD1-N 2.84Å; D80-V83 HydrophobicContact CB-CG2 3.7Å; D80-V83 PolarHBondContact O-N 3.34Å; D80-Y101 PolarHBondContact OD2-OH 3.21Å | ||
| 81 | S | 91.1 | Very high | 95.9 | Very high | 70 Ų | 70 | 48.3 Ų | 48.3 | 49% | 0.49 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -18.8 | 178.2 | 60.4 | 0 | 0 | 0 | 0 | 114.4 | W79 K198 | W79-S81 PolarHBondContact O-N 3.4Å; S81-K198 PolarHBondContact OG-NZ 3.45Å; S81-K198 VanDerWaalsContact OG-NZ 3.14Å |
| 82 | N | 91.7 | Very high | 95.9 | Very high | 73 Ų | 73 | 49.2 Ų | 49.2 | 39% | 0.39 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -15.4 | -176.6 | -65.4 | -11.6 | 0 | 0 | 0 | 112 | D80 I84 W103 K104 | D80-N82 PolarHBondContact O-N 3.22Å; D80-N82 VanDerWaalsContact O-N 3.1Å; D80-N82 WeakPolarHBondContact OD1-CB 3.46Å; D80-N82 PolarHBondContact OD1-N 2.84Å; N82-I84 PolarHBondContact O-N 2.89Å; N82-W103 HydrophobicContact CB-CB 4.47Å; N82-W103 CarbonylContact O-C 3.57Å; N82-W103 WeakPolarHBondContact O-CA 3.39Å; N82-W103 WeakPolarHBondContact O-CB 3.47Å; N82-K104 PolarHBondContact O-N 3.45Å |
| 83 | V | 94.6 | Very high | 95.9 | Very high | 20 Ų | 20 | 51.4 Ų | 51.4 | 12% | 0.121 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 130.4 | 178.4 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | R76 R77 D80 T86 Y101 | R76-V83 HydrophobicContact CG-CG2 4.09Å; R77-V83 HydrophobicContact CG-CG1 4.41Å; D80-V83 HydrophobicContact CB-CG2 3.7Å; D80-V83 PolarHBondContact O-N 3.34Å; V83-T86 HydrophobicContact CG1-CG2 3.89Å; V83-Y101 HydrophobicContact CG2-CD2 4.42Å; V83-Y101 HydrophobicContact CG2-CE2 3.41Å; V83-Y101 VanDerWaalsContact CG2-CE2 3.41Å; V83-Y101 WeakPolarHBondContact CG2-OH 3.39Å |
| 84 | I | 95.5 | Very high | 95.9 | Very high | 62 Ų | 62 | 54.1 Ų | 54.1 | 32% | 0.318 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | -51.7 | 167.1 | -60.6 | 171.5 | 0 | 0 | 0 | 108.3 | N82 S102 K104 N111 M145 | N82-I84 PolarHBondContact O-N 2.89Å; I84-S102 PolarHBondContact N-O 3.38Å; I84-K104 HydrophobicContact CD1-CG 3.88Å; I84-K104 HydrophobicContact CG1-CG 3.66Å; I84-N111 HydrophobicContact CD1-CB 3.84Å; I84-N111 WeakPolarHBondContact CD1-ND2 3.37Å; I84-M145 HydrophobicContact CD1-CE 4.09Å; I84-M145 HydrophobicContact CG2-CE 4.28Å |
| 85 | E | 96 | Very high | 96.1 | Very high | 67 Ų | 67 | 51.6 Ų | 51.6 | 31% | 0.313 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 138.1 | -177.5 | -177.5 | 176 | -139.3 | 0 | 0 | 110.2 | F87 Y100 Y101 S102 K142 | E85-F87 HydrophobicContact CG-CD1 3.81Å; E85-F87 HydrophobicContact CG-CE1 3.73Å; E85-Y100 HydrophobicContact CB-CE1 4.16Å; E85-Y100 HydrophobicContact CG-CD1 4.22Å; E85-Y100 HydrophobicContact CG-CE1 4.1Å; E85-Y100 WeakPolarHBondContact OE2-CE1 3.39Å; E85-Y101 CarbonylContact O-C 3.48Å; E85-S102 WeakPolarHBondContact CB-OG 3.46Å; E85-S102 PolarHBondContact N-OG 2.95Å; E85-S102 VanDerWaalsContact N-OG 3.14Å; E85-S102 PolarHBondContact O-N 2.97Å; E85-S102 PolarHBondContact O-OG 3.21Å; E85-K142 IonicContact OE2-NZ 3.4Å; E85-K142 PolarHBondContact OE2-NZ 3.31Å; E85-K142 VanDerWaalsContact OE2-NZ 3.09Å |
| 86 | T | 96.9 | Very high | 96.1 | Very high | 11 Ų | 11 | 51.3 Ų | 51.3 | 7% | 0.067 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 129 | 176.8 | -174.8 | 0 | 0 | 0 | 0 | 111.3 | R77 V83 Y100 | R77-T86 HydrophobicContact CG-CG2 3.74Å; R77-T86 PolarHBondContact NE-O 3.4Å; R77-T86 PolarHBondContact NH2-O 3.37Å; V83-T86 HydrophobicContact CG1-CG2 3.89Å; T86-Y100 VanDerWaalsContact CA-O 3.28Å; T86-Y100 WeakPolarHBondContact CA-O 3.3Å; T86-Y100 PolarHBondContact OG1-O 2.84Å |
| 87 | F | 97.3 | Very high | 96.2 | Very high | 50 Ų | 50 | 50 Ų | 50 | 22% | 0.219 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 152.2 | 177.1 | 55.2 | -93.2 | 0 | 0 | 0 | 111 | E85 I89 G99 Y100 Y139 | E85-F87 HydrophobicContact CG-CD1 3.81Å; E85-F87 HydrophobicContact CG-CE1 3.73Å; F87-I89 HydrophobicContact CD2-CG1 4.21Å; F87-I89 HydrophobicContact CE2-CG1 3.85Å; F87-G99 WeakPolarHBondContact O-CA 3.29Å; F87-Y100 HydrophobicContact CD1-CD1 4.09Å; F87-Y100 AromaticContact CE1-CD1 3.42Å; F87-Y100 HydrophobicContact CE1-CD1 3.42Å; F87-Y100 VanDerWaalsContact CE1-CD1 3.42Å; F87-Y100 HydrophobicContact CE1-CE1 4.21Å; F87-Y100 AromaticContact CE1-CG 3.95Å; F87-Y100 HydrophobicContact CE1-CG 3.95Å; F87-Y100 HydrophobicContact CE2-CG 4.42Å; F87-Y100 AromaticContact CZ-CD1 3.76Å; F87-Y100 HydrophobicContact CZ-CD1 3.76Å; F87-Y100 AromaticContact CZ-CG 3.81Å; F87-Y100 HydrophobicContact CZ-CG 3.81Å; F87-Y100 PolarHBondContact N-O 3.35Å; F87-Y100 PolarHBondContact O-N 3.37Å; F87-Y139 AromaticContact CE2-CE1 3.64Å; F87-Y139 HydrophobicContact CE2-CE1 3.64Å; F87-Y139 HydrophobicContact CZ-CD1 4.3Å; F87-Y139 AromaticContact CZ-CE1 3.66Å; F87-Y139 HydrophobicContact CZ-CE1 3.66Å |
| 88 | D | 97.7 | Very high | 96.4 | Very high | 40 Ų | 40 | 43.7 Ų | 43.7 | 21% | 0.214 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 131 | 171.1 | -60.3 | -38.8 | 0 | 0 | 0 | 109.1 | R118 L228 | D88-R118 IonicContact OD1-CZ 3.42Å; D88-R118 IonicContact OD1-NH2 3.91Å; D88-R118 PolarHBondContact OD1-NH2 3.43Å; D88-R118 IonicContact OD2-NH2 2.62Å; D88-L228 HydrophobicContact CB-CD1 3.67Å; D88-L228 HydrophobicContact CB-CD2 3.91Å; D88-L228 HydrophobicContact CB-CG 4.46Å |
| 89 | I | 98.1 | Very high | 96.5 | Very high | 26 Ų | 26 | 36.9 Ų | 36.9 | 13% | 0.133 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | -40.9 | -179.9 | -62.9 | 166.8 | 0 | 0 | 0 | 109.9 | F87 V98 I115 Y139 I231 | F87-I89 HydrophobicContact CD2-CG1 4.21Å; F87-I89 HydrophobicContact CE2-CG1 3.85Å; I89-V98 WeakPolarHBondContact CA-O 3.42Å; I89-V98 HydrophobicContact CB-CB 4.48Å; I89-V98 WeakPolarHBondContact CB-O 3.26Å; I89-V98 HydrophobicContact CD1-CG1 4.07Å; I89-V98 PolarHBondContact N-O 2.83Å; I89-I115 HydrophobicContact CD1-CG2 4.07Å; I89-Y139 HydrophobicContact CB-CE2 4.31Å; I89-Y139 HydrophobicContact CD1-CD2 3.78Å; I89-Y139 HydrophobicContact CD1-CE2 3.82Å; I89-Y139 HydrophobicContact CD1-CG 4.17Å; I89-Y139 HydrophobicContact CG1-CD2 4.36Å; I89-Y139 HydrophobicContact CG1-CE1 4.44Å; I89-Y139 HydrophobicContact CG1-CE2 3.87Å; I89-Y139 HydrophobicContact CG2-CD2 4.26Å; I89-Y139 HydrophobicContact CG2-CE2 3.43Å; I89-Y139 VanDerWaalsContact CG2-CE2 3.43Å; I89-I231 HydrophobicContact CB-CD1 4.37Å; I89-I231 HydrophobicContact CG2-CD1 3.86Å |
| 90 | G | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173 | 170.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | D97 V98 A229 I231 | G90-D97 WeakPolarHBondContact O-CA 3.48Å; G90-D97 WeakPolarHBondContact O-CB 3.24Å; G90-V98 PolarHBondContact N-O 3.11Å; G90-V98 PolarHBondContact O-N 3.08Å; G90-A229 CarbonylContact C-O 3.19Å; G90-A229 VanDerWaalsContact CA-O 3.3Å; G90-A229 WeakPolarHBondContact CA-O 3.24Å; G90-I231 VanDerWaalsContact CA-CD1 3.46Å |
| 91 | K | 98.1 | Very high | 96.8 | Very high | 63 Ų | 63 | 36.8 Ų | 36.8 | 27% | 0.274 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 149.9 | -176.8 | 68 | -177.8 | 179.6 | -177.3 | 0 | 112.1 | T226 L228 A229 T230 I231 | K91-T226 HydrophobicContact CD-CG2 3.68Å; K91-T226 VanDerWaalsContact NZ-CG2 3.27Å; K91-L228 HydrophobicContact CB-CB 4.26Å; K91-L228 WeakPolarHBondContact CE-O 3.36Å; K91-L228 HydrophobicContact CG-CB 4.36Å; K91-A229 PolarHBondContact N-O 2.76Å; K91-T230 WeakPolarHBondContact CE-OG1 3.43Å; K91-T230 CarbonylContact O-C 3.48Å; K91-T230 WeakPolarHBondContact O-CA 3.34Å; K91-I231 PolarHBondContact O-N 2.84Å |
| 92 | L | 98.2 | Very high | 97 | Very high | 22 Ų | 22 | 33.4 Ų | 33.4 | 12% | 0.115 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | -43.5 | 172.9 | -63.5 | 168.7 | 0 | 0 | 0 | 110.7 | I8 A96 V98 L117 I231 L233 L236 | I8-L92 HydrophobicContact CD1-CB 3.83Å; I8-L92 HydrophobicContact CD1-CD1 4.49Å; I8-L92 HydrophobicContact CG1-CD1 4.39Å; L92-A96 HydrophobicContact CB-CB 4.28Å; L92-A96 PolarHBondContact N-O 2.92Å; L92-V98 HydrophobicContact CD1-CG2 3.89Å; L92-V98 HydrophobicContact CD2-CG2 4.33Å; L92-V98 HydrophobicContact CG-CG2 4.08Å; L92-L117 HydrophobicContact CD1-CD1 3.31Å; L92-L117 HydrophobicContact CD1-CD2 4.48Å; L92-L117 HydrophobicContact CD1-CG 3.55Å; L92-I231 HydrophobicContact CD2-CB 4.16Å; L92-I231 HydrophobicContact CD2-CG2 4.44Å; L92-I231 VanDerWaalsContact CD2-O 3.32Å; L92-I231 WeakPolarHBondContact CD2-O 3.34Å; L92-L233 HydrophobicContact CD1-CD1 4.42Å; L92-L233 HydrophobicContact CD2-CD1 4.33Å; L92-L236 HydrophobicContact CD1-CD1 4.16Å; L92-L236 HydrophobicContact CD2-CD1 4.02Å |
| 93 | T | 97.9 | Very high | 97.1 | Very high | 51 Ų | 51 | 33 Ų | 33 | 31% | 0.313 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | -172.7 | 175.3 | 64.5 | 0 | 0 | 0 | 0 | 109.5 | I8 N95 A96 | I8-T93 HydrophobicContact CD1-CG2 3.65Å; T93-N95 PolarHBondContact O-N 2.85Å; T93-N95 PolarHBondContact OG1-N 2.9Å; T93-N95 PolarHBondContact OG1-OD1 2.97Å; T93-A96 PolarHBondContact N-O 2.88Å; T93-A96 VanDerWaalsContact N-O 3.11Å; T93-A96 VanDerWaalsContact OG1-CB 3.29Å; T93-A96 WeakPolarHBondContact OG1-CB 3.44Å; T93-A96 PolarHBondContact OG1-N 2.8Å; T93-A96 VanDerWaalsContact OG1-N 3.08Å |
| 94 | V | 97.1 | Very high | 97 | Very high | 103 Ų | 103 | 37.5 Ų | 37.5 | 62% | 0.624 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -20.4 | 173.2 | -63.5 | 0 | 0 | 0 | 0 | 113.4 | P223 | V94-P223 HydrophobicContact CB-CB 4.14Å; V94-P223 HydrophobicContact CB-CG 4.25Å; V94-P223 HydrophobicContact CG1-CB 4.43Å |
| 95 | N | 97.9 | Very high | 96.5 | Very high | 43 Ų | 43 | 35.4 Ų | 35.4 | 23% | 0.23 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -133.6 | 18.4 | -174.6 | 71.7 | -39.5 | 0 | 0 | 0 | 113.3 | T93 S119 W120 | T93-N95 PolarHBondContact O-N 2.85Å; T93-N95 PolarHBondContact OG1-N 2.9Å; T93-N95 PolarHBondContact OG1-OD1 2.97Å; N95-S119 CarbonylContact O-C 3.54Å; N95-S119 VanDerWaalsContact O-CA 3.23Å; N95-S119 WeakPolarHBondContact O-CA 3.43Å; N95-S119 PolarHBondContact O-OG 3.43Å; N95-W120 VanDerWaalsContact CA-CE2 3.47Å; N95-W120 HydrophobicContact CB-CD2 4.37Å; N95-W120 HydrophobicContact CB-CG 4.4Å; N95-W120 WeakPolarHBondContact CB-O 3.41Å; N95-W120 PolarHBondContact ND2-O 2.85Å; N95-W120 VanDerWaalsContact O-CD2 3.3Å; N95-W120 VanDerWaalsContact O-CE3 3.29Å; N95-W120 PolarHBondContact O-N 3.04Å |
| 96 | A | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 136.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | I8 L92 T93 R118 | I8-A96 HydrophobicContact CG2-CB 3.79Å; L92-A96 HydrophobicContact CB-CB 4.28Å; L92-A96 PolarHBondContact N-O 2.92Å; T93-A96 PolarHBondContact N-O 2.88Å; T93-A96 VanDerWaalsContact N-O 3.11Å; T93-A96 VanDerWaalsContact OG1-CB 3.29Å; T93-A96 WeakPolarHBondContact OG1-CB 3.44Å; T93-A96 PolarHBondContact OG1-N 2.8Å; T93-A96 VanDerWaalsContact OG1-N 3.08Å; A96-R118 CarbonylContact C-O 3.55Å; A96-R118 WeakPolarHBondContact CA-O 3.49Å |
| 97 | D | 98.5 | Very high | 95.2 | Very high | 6 Ų | 6 | 41 Ų | 41 | 3% | 0.032 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 172.6 | -179.8 | 60.2 | 23.1 | 0 | 0 | 0 | 112 | G90 L117 R118 W120 | G90-D97 WeakPolarHBondContact O-CA 3.48Å; G90-D97 WeakPolarHBondContact O-CB 3.24Å; D97-L117 CarbonylContact O-C 3.53Å; D97-L117 WeakPolarHBondContact O-CA 3.32Å; D97-R118 PolarHBondContact N-O 3.2Å; D97-R118 PolarHBondContact O-N 3.22Å; D97-R118 WeakPolarHBondContact OD1-CB 3.31Å; D97-R118 IonicContact OD1-CZ 3.62Å; D97-R118 IonicContact OD1-NE 3.62Å; D97-R118 PolarHBondContact OD1-NE 3.15Å; D97-R118 IonicContact OD1-NH2 2.98Å; D97-R118 PolarHBondContact OD1-NH2 2.98Å; D97-R118 IonicContact OD2-CZ 3.78Å; D97-R118 IonicContact OD2-NE 3.57Å; D97-R118 IonicContact OD2-NH2 3.9Å; D97-R118 PolarHBondContact OD2-NH2 3.41Å; D97-W120 HydrophobicContact CB-CH2 4.38Å; D97-W120 HydrophobicContact CB-CZ3 4.38Å; D97-W120 VanDerWaalsContact OD2-CH2 3.32Å; D97-W120 WeakPolarHBondContact OD2-CH2 3.48Å; D97-W120 VanDerWaalsContact OD2-CZ3 3.32Å; D97-W120 WeakPolarHBondContact OD2-CZ3 3.26Å |
| 98 | V | 98.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 128.5 | 171.1 | -173.1 | 0 | 0 | 0 | 0 | 107.8 | I89 G90 L92 I115 T116 V134 I231 L236 | I89-V98 WeakPolarHBondContact CA-O 3.42Å; I89-V98 HydrophobicContact CB-CB 4.48Å; I89-V98 WeakPolarHBondContact CB-O 3.26Å; I89-V98 HydrophobicContact CD1-CG1 4.07Å; I89-V98 PolarHBondContact N-O 2.83Å; G90-V98 PolarHBondContact N-O 3.11Å; G90-V98 PolarHBondContact O-N 3.08Å; L92-V98 HydrophobicContact CD1-CG2 3.89Å; L92-V98 HydrophobicContact CD2-CG2 4.33Å; L92-V98 HydrophobicContact CG-CG2 4.08Å; V98-I115 HydrophobicContact CG1-CG2 3.73Å; V98-T116 CarbonylContact C-O 3.54Å; V98-T116 VanDerWaalsContact CA-O 3.27Å; V98-T116 WeakPolarHBondContact CA-O 3.34Å; V98-V134 HydrophobicContact CG1-CG2 4.01Å; V98-I231 HydrophobicContact CB-CD1 4.16Å; V98-I231 HydrophobicContact CG2-CD1 4.23Å; V98-L236 HydrophobicContact CG2-CD1 3.61Å; V98-L236 HydrophobicContact CG2-CD2 4.21Å |
| 99 | G | 97.9 | Very high | 94 | Very high | 7 Ų | 7 | 39.9 Ų | 39.9 | 7% | 0.072 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 157.5 | -179 | 0 | 0 | 0 | 0 | 0 | 113.1 | F87 I115 T116 | F87-G99 WeakPolarHBondContact O-CA 3.29Å; G99-I115 WeakPolarHBondContact O-CA 3.26Å; G99-T116 PolarHBondContact N-O 2.85Å; G99-T116 PolarHBondContact O-N 3.18Å |
| 100 | Y | 97.7 | Very high | 93.6 | Very high | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 138.4 | 170 | -179.2 | -101.1 | 0 | 0 | 0 | 110.1 | E85 T86 F87 D113 I115 K142 | E85-Y100 HydrophobicContact CB-CE1 4.16Å; E85-Y100 HydrophobicContact CG-CD1 4.22Å; E85-Y100 HydrophobicContact CG-CE1 4.1Å; E85-Y100 WeakPolarHBondContact OE2-CE1 3.39Å; T86-Y100 VanDerWaalsContact CA-O 3.28Å; T86-Y100 WeakPolarHBondContact CA-O 3.3Å; T86-Y100 PolarHBondContact OG1-O 2.84Å; F87-Y100 HydrophobicContact CD1-CD1 4.09Å; F87-Y100 AromaticContact CE1-CD1 3.42Å; F87-Y100 HydrophobicContact CE1-CD1 3.42Å; F87-Y100 VanDerWaalsContact CE1-CD1 3.42Å; F87-Y100 HydrophobicContact CE1-CE1 4.21Å; F87-Y100 AromaticContact CE1-CG 3.95Å; F87-Y100 HydrophobicContact CE1-CG 3.95Å; F87-Y100 HydrophobicContact CE2-CG 4.42Å; F87-Y100 AromaticContact CZ-CD1 3.76Å; F87-Y100 HydrophobicContact CZ-CD1 3.76Å; F87-Y100 AromaticContact CZ-CG 3.81Å; F87-Y100 HydrophobicContact CZ-CG 3.81Å; F87-Y100 PolarHBondContact N-O 3.35Å; F87-Y100 PolarHBondContact O-N 3.37Å; Y100-D113 HydrophobicContact CE2-CB 3.77Å; Y100-D113 WeakPolarHBondContact CE2-OD2 3.41Å; Y100-D113 WeakPolarHBondContact OH-CB 3.16Å; Y100-D113 PolarHBondContact OH-OD2 2.74Å; Y100-I115 HydrophobicContact CD2-CG1 4Å; Y100-K142 VanDerWaalsContact OH-CE 3.31Å; Y100-K142 WeakPolarHBondContact OH-CE 3.35Å; Y100-K142 PolarHBondContact OH-NZ 3.16Å |
| 101 | Y | 96.2 | Very high | 93.2 | Very high | 54 Ų | 54 | 45.3 Ų | 45.3 | 21% | 0.212 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 131.4 | 175.2 | 178.2 | -94.5 | 0 | 0 | 0 | 110.4 | D80 V83 E85 W103 D113 V114 | D80-Y101 PolarHBondContact OD2-OH 3.21Å; V83-Y101 HydrophobicContact CG2-CD2 4.42Å; V83-Y101 HydrophobicContact CG2-CE2 3.41Å; V83-Y101 VanDerWaalsContact CG2-CE2 3.41Å; V83-Y101 WeakPolarHBondContact CG2-OH 3.39Å; E85-Y101 CarbonylContact O-C 3.48Å; Y101-W103 HydrophobicContact CD1-CD2 4.28Å; Y101-W103 AromaticContact CD1-CE3 3.35Å; Y101-W103 HydrophobicContact CD1-CE3 3.35Å; Y101-W103 AromaticContact CD1-CZ3 3.75Å; Y101-W103 HydrophobicContact CD1-CZ3 3.75Å; Y101-W103 HydrophobicContact CE1-CB 3.83Å; Y101-W103 AromaticContact CE1-CD2 3.78Å; Y101-W103 HydrophobicContact CE1-CD2 3.78Å; Y101-W103 AromaticContact CE1-CE3 3.31Å; Y101-W103 HydrophobicContact CE1-CE3 3.31Å; Y101-W103 HydrophobicContact CE1-CG 4.04Å; Y101-W103 HydrophobicContact CE1-CZ3 4.06Å; Y101-D113 CarbonylContact O-C 3.58Å; Y101-D113 WeakPolarHBondContact O-CA 3.23Å; Y101-V114 HydrophobicContact CD1-CG1 4.27Å; Y101-V114 PolarHBondContact N-O 2.89Å; Y101-V114 PolarHBondContact O-N 2.98Å |
| 102 | S | 95.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 145.7 | 173.5 | 62.2 | 0 | 0 | 0 | 0 | 111.8 | I84 E85 R112 | I84-S102 PolarHBondContact N-O 3.38Å; E85-S102 WeakPolarHBondContact CB-OG 3.46Å; E85-S102 PolarHBondContact N-OG 2.95Å; E85-S102 VanDerWaalsContact N-OG 3.14Å; E85-S102 PolarHBondContact O-N 2.97Å; E85-S102 PolarHBondContact O-OG 3.21Å; S102-R112 CarbonylContact C-O 3.52Å; S102-R112 VanDerWaalsContact CA-O 3.24Å; S102-R112 WeakPolarHBondContact CA-O 3.46Å; S102-R112 WeakPolarHBondContact CB-O 3.23Å |
| 103 | W | 93.1 | Very high | 92.8 | Very high | 63 Ų | 63 | 42 Ų | 42 | 24% | 0.239 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 151.8 | -173.7 | 69.1 | 100.9 | 0 | 0 | 0 | 113.8 | N82 Y101 C105 N111 R112 V114 A148 | N82-W103 HydrophobicContact CB-CB 4.47Å; N82-W103 CarbonylContact O-C 3.57Å; N82-W103 WeakPolarHBondContact O-CA 3.39Å; N82-W103 WeakPolarHBondContact O-CB 3.47Å; Y101-W103 HydrophobicContact CD1-CD2 4.28Å; Y101-W103 AromaticContact CD1-CE3 3.35Å; Y101-W103 HydrophobicContact CD1-CE3 3.35Å; Y101-W103 AromaticContact CD1-CZ3 3.75Å; Y101-W103 HydrophobicContact CD1-CZ3 3.75Å; Y101-W103 HydrophobicContact CE1-CB 3.83Å; Y101-W103 AromaticContact CE1-CD2 3.78Å; Y101-W103 HydrophobicContact CE1-CD2 3.78Å; Y101-W103 AromaticContact CE1-CE3 3.31Å; Y101-W103 HydrophobicContact CE1-CE3 3.31Å; Y101-W103 HydrophobicContact CE1-CG 4.04Å; Y101-W103 HydrophobicContact CE1-CZ3 4.06Å; W103-C105 VanDerWaalsContact CD1-SG 3.55Å; W103-C105 PolarHBondContact NE1-SG 3.03Å; W103-N111 WeakPolarHBondContact O-CB 3.32Å; W103-R112 HydrophobicContact CD2-CB 3.94Å; W103-R112 VanDerWaalsContact CE2-CB 3.48Å; W103-R112 HydrophobicContact CE3-CB 4.11Å; W103-R112 HydrophobicContact CH2-CB 3.56Å; W103-R112 HydrophobicContact CH2-CG 4.42Å; W103-R112 HydrophobicContact CZ2-CB 3.3Å; W103-R112 HydrophobicContact CZ2-CG 3.96Å; W103-R112 HydrophobicContact CZ3-CB 3.94Å; W103-R112 PolarHBondContact N-O 2.73Å; W103-R112 PolarHBondContact O-N 2.82Å; W103-R112 VanDerWaalsContact O-N 3.13Å; W103-V114 HydrophobicContact CZ3-CB 4.15Å; W103-V114 HydrophobicContact CZ3-CG1 3.96Å; W103-A148 HydrophobicContact CH2-CB 3.58Å; W103-A148 HydrophobicContact CZ2-CB 4.23Å |
| 104 | K | 91.7 | Very high | 92.6 | Very high | 115 Ų | 115 | 40.2 Ų | 40.2 | 50% | 0.5 | 20% | 0.198 | S | C | . | . | trans | -69.9 | 135.1 | 171 | -63.1 | 178.2 | -174.6 | 168.7 | 0 | 109.6 | N82 I84 N111 | N82-K104 PolarHBondContact O-N 3.45Å; I84-K104 HydrophobicContact CD1-CG 3.88Å; I84-K104 HydrophobicContact CG1-CG 3.66Å; K104-N111 WeakPolarHBondContact CA-OD1 3.5Å | ||
| 105 | C | 86.3 | Confident | 92.6 | Very high | 19 Ų | 19 | 35.4 Ų | 35.4 | 13% | 0.128 | 17% | 0.169 | C | C | . | . | trans | -108.8 | 153.8 | 170.9 | -72.2 | 0 | 0 | 0 | 0 | 110.9 | W103 K107 L109 R110 N111 R112 | W103-C105 VanDerWaalsContact CD1-SG 3.55Å; W103-C105 PolarHBondContact NE1-SG 3.03Å; C105-K107 PolarHBondContact O-N 3.4Å; C105-L109 HydrophobicContact CB-CB 4.07Å; C105-R110 WeakPolarHBondContact CB-O 3.41Å; C105-N111 PolarHBondContact N-OD1 2.82Å; C105-R112 PolarHBondContact SG-NH1 2.93Å | ||
| 106 | P | 83.8 | Confident | 92.6 | Very high | 43 Ų | 43 | 34.3 Ų | 34.3 | 28% | 0.279 | 16% | 0.164 | S | C | . | . | trans | -56 | 134.6 | 173.7 | -21.3 | 31.1 | 0 | 0 | 0 | 109.7 | L109 E259 | P106-L109 VanDerWaalsContact O-CB 3.24Å; P106-L109 WeakPolarHBondContact O-CB 2.99Å; P106-L109 WeakPolarHBondContact O-CG 3.28Å; P106-L109 PolarHBondContact O-N 2.81Å; P106-E259 WeakPolarHBondContact CG-OE1 3.34Å | ||
| 107 | K | 82.1 | Confident | 92.6 | Very high | 152 Ų | 152 | 34.3 Ų | 34.3 | 66% | 0.661 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 148.9 | 172.3 | -69.8 | -176.2 | -179.7 | 177.8 | 0 | 109.3 | C105 L109 T255 | C105-K107 PolarHBondContact O-N 3.4Å; K107-L109 VanDerWaalsContact C-N 3.34Å; K107-T255 PolarHBondContact O-OG1 2.79Å; K107-T255 VanDerWaalsContact O-OG1 3.11Å |
| 108 | P | 84.9 | Confident | 92.6 | Very high | 55 Ų | 55 | 35.6 Ų | 35.6 | 36% | 0.357 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -85.6 | 12.9 | 1.5 | 35.6 | -38.2 | 0 | 0 | 0 | 114.8 | L252 | P108-L252 HydrophobicContact CB-CD1 4.33Å; P108-L252 HydrophobicContact CB-CD2 4.4Å; P108-L252 HydrophobicContact CG-CB 3.79Å; P108-L252 HydrophobicContact CG-CD1 3.88Å; P108-L252 HydrophobicContact CG-CD2 3.99Å; P108-L252 HydrophobicContact CG-CG 4.1Å |
| 109 | L | 85.2 | Confident | 92.6 | Very high | 11 Ų | 11 | 35.6 Ų | 35.6 | 6% | 0.058 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -69.9 | 146.9 | -176.6 | -53.9 | 163.4 | 0 | 0 | 0 | 112 | C105 P106 K107 L179 P180 V183 E249 L252 | C105-L109 HydrophobicContact CB-CB 4.07Å; P106-L109 VanDerWaalsContact O-CB 3.24Å; P106-L109 WeakPolarHBondContact O-CB 2.99Å; P106-L109 WeakPolarHBondContact O-CG 3.28Å; P106-L109 PolarHBondContact O-N 2.81Å; K107-L109 VanDerWaalsContact C-N 3.34Å; L109-L179 HydrophobicContact CD2-CD2 4.38Å; L109-P180 HydrophobicContact CD2-CG 4.25Å; L109-V183 HydrophobicContact CD1-CG2 3.9Å; L109-E249 WeakPolarHBondContact CA-OE1 2.89Å; L109-E249 HydrophobicContact CD2-CB 4.11Å; L109-L252 HydrophobicContact CD2-CD1 4.07Å |
| 110 | R | 87.9 | Confident | 92.6 | Very high | 85 Ų | 85 | 36.2 Ų | 36.2 | 32% | 0.321 | 17% | 0.169 | S | C | . | . | P | Polyproline II helix | trans | -69.5 | 152.3 | 174.2 | -63.7 | -176.6 | 64.7 | -173.3 | -4.4 | 111.2 | C105 R112 K143 D144 V146 E249 | C105-R110 WeakPolarHBondContact CB-O 3.41Å; R110-R112 WeakPolarHBondContact O-CD 3.42Å; R110-R112 PolarHBondContact O-NE 2.82Å; R110-R112 PolarHBondContact O-NH1 3.25Å; R110-K143 PolarHBondContact NH2-O 2.86Å; R110-D144 VanDerWaalsContact NH2-CA 3.27Å; R110-D144 PolarHBondContact NH2-O 3.44Å; R110-V146 HydrophobicContact CB-CG2 3.75Å; R110-E249 PolarHBondContact N-OE1 3.03Å |
| 111 | N | 91.5 | Very high | 92.6 | Very high | 56 Ų | 56 | 38.1 Ų | 38.1 | 30% | 0.299 | 18% | 0.179 | S | C | . | . | P | Polyproline II helix | trans | -66.2 | 151.6 | 173.6 | -65.1 | -23.5 | 0 | 0 | 0 | 110.5 | I84 W103 K104 C105 M145 V146 | I84-N111 HydrophobicContact CD1-CB 3.84Å; I84-N111 WeakPolarHBondContact CD1-ND2 3.37Å; W103-N111 WeakPolarHBondContact O-CB 3.32Å; K104-N111 WeakPolarHBondContact CA-OD1 3.5Å; C105-N111 PolarHBondContact N-OD1 2.82Å; N111-M145 HydrophobicContact CB-CG 4.36Å; N111-M145 CarbonylContact O-C 3.41Å; N111-M145 WeakPolarHBondContact O-CA 3.38Å; N111-V146 PolarHBondContact O-N 3.46Å |
| 112 | R | 91.6 | Very high | 92.6 | Very high | 16 Ų | 16 | 39 Ų | 39 | 6% | 0.06 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 149.8 | -177.1 | -84.1 | 57.9 | 168.9 | -140.9 | 7.2 | 110.8 | S102 W103 C105 R110 V146 A148 E249 | S102-R112 CarbonylContact C-O 3.52Å; S102-R112 VanDerWaalsContact CA-O 3.24Å; S102-R112 WeakPolarHBondContact CA-O 3.46Å; S102-R112 WeakPolarHBondContact CB-O 3.23Å; W103-R112 HydrophobicContact CD2-CB 3.94Å; W103-R112 VanDerWaalsContact CE2-CB 3.48Å; W103-R112 HydrophobicContact CE3-CB 4.11Å; W103-R112 HydrophobicContact CH2-CB 3.56Å; W103-R112 HydrophobicContact CH2-CG 4.42Å; W103-R112 HydrophobicContact CZ2-CB 3.3Å; W103-R112 HydrophobicContact CZ2-CG 3.96Å; W103-R112 HydrophobicContact CZ3-CB 3.94Å; W103-R112 PolarHBondContact N-O 2.73Å; W103-R112 PolarHBondContact O-N 2.82Å; W103-R112 VanDerWaalsContact O-N 3.13Å; C105-R112 PolarHBondContact SG-NH1 2.93Å; R110-R112 WeakPolarHBondContact O-CD 3.42Å; R110-R112 PolarHBondContact O-NE 2.82Å; R110-R112 PolarHBondContact O-NH1 3.25Å; R112-V146 WeakPolarHBondContact CA-O 3.26Å; R112-V146 HydrophobicContact CG-CB 3.99Å; R112-V146 HydrophobicContact CG-CG1 4.36Å; R112-A148 HydrophobicContact CB-CB 4.37Å; R112-A148 HydrophobicContact CG-CB 4.28Å; R112-E249 IonicContact CZ-OE2 2.64Å; R112-E249 IonicContact NE-OE2 3.02Å; R112-E249 VanDerWaalsContact NH2-CD 3.34Å; R112-E249 IonicContact NH2-OE1 3.66Å; R112-E249 PolarHBondContact NH2-OE1 2.81Å; R112-E249 IonicContact NH2-OE2 3.75Å; R112-E249 PolarHBondContact NH2-OE2 3.07Å |
| 113 | D | 94.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 160.2 | 166.4 | 78.4 | -14.6 | 0 | 0 | 0 | 111.9 | Y100 Y101 M145 V146 R147 A148 | Y100-D113 HydrophobicContact CE2-CB 3.77Å; Y100-D113 WeakPolarHBondContact CE2-OD2 3.41Å; Y100-D113 WeakPolarHBondContact OH-CB 3.16Å; Y100-D113 PolarHBondContact OH-OD2 2.74Å; Y101-D113 CarbonylContact O-C 3.58Å; Y101-D113 WeakPolarHBondContact O-CA 3.23Å; D113-M145 HydrophobicContact CB-SD 4.08Å; D113-V146 PolarHBondContact N-O 2.87Å; D113-R147 VanDerWaalsContact OD1-CA 3.31Å; D113-R147 WeakPolarHBondContact OD1-CA 3.43Å; D113-R147 IonicContact OD1-CZ 3.03Å; D113-R147 IonicContact OD1-NE 3.38Å; D113-R147 PolarHBondContact OD1-NE 3.31Å; D113-R147 IonicContact OD1-NH2 3.09Å; D113-R147 IonicContact OD2-CZ 3.59Å; D113-R147 IonicContact OD2-NE 3.69Å; D113-R147 IonicContact OD2-NH2 3.51Å; D113-R147 PolarHBondContact OD2-NH2 3.11Å; D113-A148 PolarHBondContact O-N 3.14Å |
| 114 | V | 94.3 | Very high | 92.4 | Very high | 13 Ų | 13 | 42.3 Ų | 42.3 | 8% | 0.079 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 147.7 | 177.6 | 71.3 | 0 | 0 | 0 | 0 | 110.1 | Y101 W103 T116 S133 | Y101-V114 HydrophobicContact CD1-CG1 4.27Å; Y101-V114 PolarHBondContact N-O 2.89Å; Y101-V114 PolarHBondContact O-N 2.98Å; W103-V114 HydrophobicContact CZ3-CB 4.15Å; W103-V114 HydrophobicContact CZ3-CG1 3.96Å; V114-T116 HydrophobicContact CG1-CG2 4.16Å; V114-T116 HydrophobicContact CG2-CG2 3.65Å; V114-S133 WeakPolarHBondContact CG2-OG 3.42Å |
| 115 | I | 97.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 127.8 | 164.3 | -59.7 | 169.4 | 0 | 0 | 0 | 106.7 | I89 V98 G99 Y100 S133 V134 H136 Y139 | I89-I115 HydrophobicContact CD1-CG2 4.07Å; V98-I115 HydrophobicContact CG1-CG2 3.73Å; G99-I115 WeakPolarHBondContact O-CA 3.26Å; Y100-I115 HydrophobicContact CD2-CG1 4Å; I115-S133 VanDerWaalsContact O-CA 3.26Å; I115-S133 WeakPolarHBondContact O-CA 3.3Å; I115-V134 WeakPolarHBondContact CB-O 3.4Å; I115-V134 HydrophobicContact CG2-CG2 3.88Å; I115-V134 PolarHBondContact O-N 3.38Å; I115-V134 VanDerWaalsContact O-N 3.08Å; I115-H136 HydrophobicContact CD1-CB 4.37Å; I115-H136 HydrophobicContact CG2-CB 4.42Å; I115-Y139 HydrophobicContact CD1-CG 4.39Å; I115-Y139 WeakPolarHBondContact CD1-O 3.32Å |
| 116 | T | 97.6 | Very high | 92.9 | Very high | 20 Ų | 20 | 45 Ų | 45 | 12% | 0.123 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 141.4 | -178.1 | 54.6 | 0 | 0 | 0 | 0 | 111.3 | V98 G99 V114 N131 Y132 | V98-T116 CarbonylContact C-O 3.54Å; V98-T116 VanDerWaalsContact CA-O 3.27Å; V98-T116 WeakPolarHBondContact CA-O 3.34Å; G99-T116 PolarHBondContact N-O 2.85Å; G99-T116 PolarHBondContact O-N 3.18Å; V114-T116 HydrophobicContact CG1-CG2 4.16Å; V114-T116 HydrophobicContact CG2-CG2 3.65Å; T116-N131 HydrophobicContact CG2-CB 4.44Å; T116-Y132 VanDerWaalsContact CA-O 3.27Å; T116-Y132 WeakPolarHBondContact CA-O 3.43Å |
| 117 | L | 98.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 122.6 | 155.8 | -177.7 | 161.2 | 0 | 0 | 0 | 106.2 | V6 P9 L92 D97 N131 Y132 V134 L233 L236 | V6-L117 HydrophobicContact CG1-CD1 3.76Å; P9-L117 HydrophobicContact CG-CD2 4.32Å; L92-L117 HydrophobicContact CD1-CD1 3.31Å; L92-L117 HydrophobicContact CD1-CD2 4.48Å; L92-L117 HydrophobicContact CD1-CG 3.55Å; D97-L117 CarbonylContact O-C 3.53Å; D97-L117 WeakPolarHBondContact O-CA 3.32Å; L117-N131 CarbonylContact O-C 3.51Å; L117-N131 WeakPolarHBondContact O-CA 3.19Å; L117-N131 VanDerWaalsContact O-CB 3.31Å; L117-N131 WeakPolarHBondContact O-CB 3.37Å; L117-Y132 HydrophobicContact CB-CE1 4.35Å; L117-Y132 HydrophobicContact CD1-CE1 4.44Å; L117-Y132 HydrophobicContact CD2-CE1 3.98Å; L117-Y132 HydrophobicContact CG-CE1 4.49Å; L117-Y132 PolarHBondContact N-O 3Å; L117-Y132 PolarHBondContact O-N 3.1Å; L117-Y132 VanDerWaalsContact O-N 3.08Å; L117-V134 HydrophobicContact CB-CG1 3.74Å; L117-V134 HydrophobicContact CB-CG2 4.28Å; L117-L233 HydrophobicContact CD1-CD1 4.37Å; L117-L236 HydrophobicContact CD1-CD1 4.44Å |
| 118 | R | 98.6 | Very high | 94.4 | Very high | 33 Ų | 33 | 37.3 Ų | 37.3 | 13% | 0.125 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 141.2 | 175.6 | 170 | -176.7 | 65.5 | -175.5 | -1.8 | 109.1 | D88 A96 D97 W120 I129 M130 N131 | D88-R118 IonicContact OD1-CZ 3.42Å; D88-R118 IonicContact OD1-NH2 3.91Å; D88-R118 PolarHBondContact OD1-NH2 3.43Å; D88-R118 IonicContact OD2-NH2 2.62Å; A96-R118 CarbonylContact C-O 3.55Å; A96-R118 WeakPolarHBondContact CA-O 3.49Å; D97-R118 PolarHBondContact N-O 3.2Å; D97-R118 PolarHBondContact O-N 3.22Å; D97-R118 WeakPolarHBondContact OD1-CB 3.31Å; D97-R118 IonicContact OD1-CZ 3.62Å; D97-R118 IonicContact OD1-NE 3.62Å; D97-R118 PolarHBondContact OD1-NE 3.15Å; D97-R118 IonicContact OD1-NH2 2.98Å; D97-R118 PolarHBondContact OD1-NH2 2.98Å; D97-R118 IonicContact OD2-CZ 3.78Å; D97-R118 IonicContact OD2-NE 3.57Å; D97-R118 IonicContact OD2-NH2 3.9Å; D97-R118 PolarHBondContact OD2-NH2 3.41Å; R118-W120 HydrophobicContact CG-CE3 4.16Å; R118-W120 HydrophobicContact CG-CZ3 4.37Å; R118-I129 HydrophobicContact CG-CG2 3.84Å; R118-M130 CarbonylContact C-O 3.56Å; R118-M130 VanDerWaalsContact CA-O 3.26Å; R118-M130 WeakPolarHBondContact CA-O 3.39Å; R118-N131 HydrophobicContact CB-CB 4.01Å |
| 119 | S | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 146.2 | 175 | -176 | 0 | 0 | 0 | 0 | 110.1 | F14 N95 M130 | F14-S119 WeakPolarHBondContact CZ-OG 3.48Å; N95-S119 CarbonylContact O-C 3.54Å; N95-S119 VanDerWaalsContact O-CA 3.23Å; N95-S119 WeakPolarHBondContact O-CA 3.43Å; N95-S119 PolarHBondContact O-OG 3.43Å; S119-M130 PolarHBondContact N-O 3.04Å; S119-M130 PolarHBondContact O-N 3.47Å |
| 120 | W | 98.7 | Very high | 95.6 | Very high | 21 Ų | 21 | 34.8 Ų | 34.8 | 8% | 0.08 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 150.4 | -176.6 | 56.4 | 91.1 | 0 | 0 | 0 | 112.8 | H71 N95 D97 R118 I128 I129 | H71-W120 AromaticContact CE1-CD2 3.38Å; H71-W120 AromaticContact CE1-CE2 3.89Å; H71-W120 AromaticContact CE1-CE3 3.57Å; H71-W120 AromaticContact CE1-CG 3.56Å; H71-W120 AromaticContact NE2-CG 3.74Å; N95-W120 VanDerWaalsContact CA-CE2 3.47Å; N95-W120 HydrophobicContact CB-CD2 4.37Å; N95-W120 HydrophobicContact CB-CG 4.4Å; N95-W120 WeakPolarHBondContact CB-O 3.41Å; N95-W120 PolarHBondContact ND2-O 2.85Å; N95-W120 VanDerWaalsContact O-CD2 3.3Å; N95-W120 VanDerWaalsContact O-CE3 3.29Å; N95-W120 PolarHBondContact O-N 3.04Å; D97-W120 HydrophobicContact CB-CH2 4.38Å; D97-W120 HydrophobicContact CB-CZ3 4.38Å; D97-W120 VanDerWaalsContact OD2-CH2 3.32Å; D97-W120 WeakPolarHBondContact OD2-CH2 3.48Å; D97-W120 VanDerWaalsContact OD2-CZ3 3.32Å; D97-W120 WeakPolarHBondContact OD2-CZ3 3.26Å; R118-W120 HydrophobicContact CG-CE3 4.16Å; R118-W120 HydrophobicContact CG-CZ3 4.37Å; W120-I128 CarbonylContact C-O 3.52Å; W120-I128 VanDerWaalsContact CA-O 3.23Å; W120-I128 WeakPolarHBondContact CA-O 3.36Å; W120-I129 HydrophobicContact CB-CG1 4.13Å |
| 121 | L | 97.8 | Very high | 96.1 | Very high | 43 Ų | 43 | 32 Ų | 32 | 23% | 0.225 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 117.5 | -179.6 | -171.9 | 64.7 | 0 | 0 | 0 | 110.9 | F14 I123 I128 | F14-L121 HydrophobicContact CB-CD2 3.87Å; F14-L121 HydrophobicContact CD1-CB 3.6Å; F14-L121 HydrophobicContact CD1-CD2 4.14Å; F14-L121 HydrophobicContact CD2-CB 4.09Å; F14-L121 HydrophobicContact CD2-CD2 3.75Å; F14-L121 HydrophobicContact CE1-CB 3.45Å; F14-L121 VanDerWaalsContact CE1-CB 3.45Å; F14-L121 HydrophobicContact CE2-CB 3.96Å; F14-L121 HydrophobicContact CE2-CD2 4.34Å; F14-L121 HydrophobicContact CG-CB 3.94Å; F14-L121 HydrophobicContact CG-CD2 3.66Å; F14-L121 HydrophobicContact CG-CG 4.47Å; F14-L121 HydrophobicContact CZ-CB 3.65Å; L121-I123 HydrophobicContact CD2-CD1 4.31Å; L121-I123 HydrophobicContact CD2-CG1 4.13Å; L121-I123 HydrophobicContact CG-CG1 4.09Å; L121-I128 PolarHBondContact N-O 3.38Å; L121-I128 PolarHBondContact O-N 3.4Å |
| 122 | P | 96.1 | Very high | 96.3 | Very high | 72 Ų | 72 | 31 Ų | 31 | 47% | 0.468 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 133.7 | 162.1 | -17.3 | 31.9 | 0 | 0 | 0 | 110.6 | Y127 | P122-Y127 HydrophobicContact CB-CD1 3.99Å; P122-Y127 HydrophobicContact CB-CE1 4.05Å; P122-Y127 HydrophobicContact CG-CD1 4.24Å; P122-Y127 HydrophobicContact CG-CE1 4.37Å |
| 123 | I | 92.1 | Very high | 96.5 | Very high | 55 Ų | 55 | 30.4 Ų | 30.4 | 28% | 0.282 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 87 | 179.3 | -53.4 | 177.8 | 0 | 0 | 0 | 108.2 | L121 K125 D126 I128 | L121-I123 HydrophobicContact CD2-CD1 4.31Å; L121-I123 HydrophobicContact CD2-CG1 4.13Å; L121-I123 HydrophobicContact CG-CG1 4.09Å; I123-K125 PolarHBondContact O-N 3.16Å; I123-K125 VanDerWaalsContact O-N 3.13Å; I123-D126 PolarHBondContact N-O 3.14Å; I123-D126 PolarHBondContact O-N 3.37Å; I123-I128 HydrophobicContact CD1-CD1 3.58Å; I123-I128 HydrophobicContact CD1-CG1 4.12Å |
| 124 | G | 92.1 | Very high | 96.6 | Very high | 79 Ų | 79 | 30.4 Ų | 30.4 | 81% | 0.814 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | -111.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 125 | K | 92.1 | Very high | 96.6 | Very high | 161 Ų | 161 | 32.8 Ų | 32.8 | 70% | 0.7 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | -2.8 | 176.6 | -61.2 | -175.3 | 179.6 | -178.7 | 0 | 113.7 | I123 S159 | I123-K125 PolarHBondContact O-N 3.16Å; I123-K125 VanDerWaalsContact O-N 3.13Å; K125-S159 WeakPolarHBondContact O-CB 3.42Å |
| 126 | D | 95.4 | Very high | 96.6 | Very high | 30 Ų | 30 | 33.1 Ų | 33.1 | 16% | 0.16 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 161 | 179.9 | -63.2 | -14.5 | 0 | 0 | 0 | 109.9 | I123 I157 Q158 S159 | I123-D126 PolarHBondContact N-O 3.14Å; I123-D126 PolarHBondContact O-N 3.37Å; D126-I157 CarbonylContact C-O 3.48Å; D126-I157 VanDerWaalsContact CA-O 3.22Å; D126-I157 WeakPolarHBondContact CA-O 3.34Å; D126-I157 WeakPolarHBondContact CB-O 3.42Å; D126-Q158 VanDerWaalsContact OD1-CA 3.28Å; D126-Q158 WeakPolarHBondContact OD1-CA 3.27Å; D126-S159 PolarHBondContact OD1-N 2.95Å |
| 127 | Y | 98.4 | Very high | 96.3 | Very high | 30 Ų | 30 | 36.7 Ų | 36.7 | 12% | 0.118 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 143.9 | 178.7 | -55 | -90.4 | 0 | 0 | 0 | 110.4 | A63 E64 Y67 P122 M156 I157 | A63-Y127 HydrophobicContact CB-CD2 4.24Å; A63-Y127 HydrophobicContact CB-CE2 3.95Å; E64-Y127 HydrophobicContact CG-CE2 4.5Å; E64-Y127 WeakPolarHBondContact CG-OH 3.46Å; Y67-Y127 AromaticContact CD1-CD1 3.98Å; Y67-Y127 HydrophobicContact CD1-CD1 3.98Å; Y67-Y127 HydrophobicContact CD1-CE1 4.12Å; Y67-Y127 VanDerWaalsContact CD2-CB 3.47Å; Y67-Y127 AromaticContact CD2-CD1 3.61Å; Y67-Y127 HydrophobicContact CD2-CD1 3.61Å; Y67-Y127 HydrophobicContact CD2-CD2 4.47Å; Y67-Y127 AromaticContact CD2-CG 3.6Å; Y67-Y127 HydrophobicContact CD2-CG 3.6Å; Y67-Y127 HydrophobicContact CE1-CD1 4.12Å; Y67-Y127 HydrophobicContact CE1-CE1 4.36Å; Y67-Y127 AromaticContact CE2-CD1 3.75Å; Y67-Y127 HydrophobicContact CE2-CD1 3.75Å; Y67-Y127 HydrophobicContact CE2-CG 4.07Å; Y67-Y127 AromaticContact CG-CD1 3.71Å; Y67-Y127 HydrophobicContact CG-CD1 3.71Å; Y67-Y127 HydrophobicContact CG-CD2 4.42Å; Y67-Y127 HydrophobicContact CG-CE1 4.18Å; Y67-Y127 AromaticContact CG-CG 3.86Å; Y67-Y127 HydrophobicContact CG-CG 3.86Å; Y67-Y127 AromaticContact CZ-CD1 3.99Å; P122-Y127 HydrophobicContact CB-CD1 3.99Å; P122-Y127 HydrophobicContact CB-CE1 4.05Å; P122-Y127 HydrophobicContact CG-CD1 4.24Å; P122-Y127 HydrophobicContact CG-CE1 4.37Å; Y127-M156 CarbonylContact O-C 3.58Å; Y127-M156 WeakPolarHBondContact O-CA 3.47Å; Y127-I157 HydrophobicContact CD2-CB 4.36Å; Y127-I157 HydrophobicContact CD2-CG2 4.46Å; Y127-I157 PolarHBondContact N-O 2.91Å; Y127-I157 PolarHBondContact O-N 3.25Å |
| 128 | I | 98.7 | Very high | 96.2 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 133.8 | 170.4 | -61.3 | -179.4 | 0 | 0 | 0 | 109.3 | F14 F17 K18 W120 L121 I123 M130 Y155 M156 | F14-I128 HydrophobicContact CD1-CB 3.84Å; F14-I128 HydrophobicContact CD1-CG2 3.6Å; F14-I128 HydrophobicContact CE1-CB 4.17Å; F14-I128 HydrophobicContact CE1-CG2 3.89Å; F17-I128 HydrophobicContact CD1-CD1 4.48Å; F17-I128 HydrophobicContact CD1-CG2 3.64Å; F17-I128 HydrophobicContact CE1-CG2 3.96Å; K18-I128 HydrophobicContact CB-CD1 3.77Å; K18-I128 HydrophobicContact CD-CD1 4.5Å; K18-I128 HydrophobicContact CG-CD1 4.39Å; W120-I128 CarbonylContact C-O 3.52Å; W120-I128 VanDerWaalsContact CA-O 3.23Å; W120-I128 WeakPolarHBondContact CA-O 3.36Å; L121-I128 PolarHBondContact N-O 3.38Å; L121-I128 PolarHBondContact O-N 3.4Å; I123-I128 HydrophobicContact CD1-CD1 3.58Å; I123-I128 HydrophobicContact CD1-CG1 4.12Å; I128-M130 HydrophobicContact CG2-CG 3.67Å; I128-M130 HydrophobicContact CG2-SD 4.35Å; I128-Y155 WeakPolarHBondContact CA-O 3.34Å; I128-M156 HydrophobicContact CG1-CB 4.42Å; I128-M156 HydrophobicContact CG1-CG 4.19Å |
| 129 | I | 98.7 | Very high | 96.1 | Very high | 6 Ų | 6 | 46.3 Ų | 46.3 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 119.4 | 170.3 | -52.5 | 170.6 | 0 | 0 | 0 | 106.7 | Y67 L70 H71 R118 W120 G154 Y155 | Y67-I129 HydrophobicContact CD2-CD1 3.89Å; Y67-I129 HydrophobicContact CD2-CG1 4.17Å; Y67-I129 HydrophobicContact CE2-CD1 3.91Å; Y67-I129 HydrophobicContact CE2-CG1 3.81Å; L70-I129 HydrophobicContact CB-CD1 3.73Å; L70-I129 HydrophobicContact CD1-CD1 4.11Å; H71-I129 WeakPolarHBondContact NE2-CD1 3.34Å; R118-I129 HydrophobicContact CG-CG2 3.84Å; W120-I129 HydrophobicContact CB-CG1 4.13Å; I129-G154 CarbonylContact O-C 3.6Å; I129-G154 WeakPolarHBondContact O-CA 3.38Å; I129-Y155 PolarHBondContact N-O 3.32Å; I129-Y155 PolarHBondContact O-N 3.01Å |
| 130 | M | 97.8 | Very high | 95.9 | Very high | 8 Ų | 8 | 50.3 Ų | 50.3 | 4% | 0.039 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 153.9 | 177.5 | -60.6 | -173.9 | -63.4 | 0 | 0 | 110.6 | P9 A13 F14 F17 R118 S119 I128 T153 | P9-M130 HydrophobicContact CB-CE 3.7Å; P9-M130 HydrophobicContact CG-CE 4.33Å; A13-M130 HydrophobicContact CB-CE 4.14Å; F14-M130 HydrophobicContact CB-CE 4.4Å; F14-M130 HydrophobicContact CD1-CE 3.51Å; F14-M130 HydrophobicContact CD1-SD 4.44Å; F14-M130 HydrophobicContact CD2-CE 4.04Å; F14-M130 HydrophobicContact CE1-CE 3.63Å; F14-M130 HydrophobicContact CE1-CG 4.49Å; F14-M130 HydrophobicContact CE2-CE 4.14Å; F14-M130 HydrophobicContact CG-CE 3.72Å; F14-M130 HydrophobicContact CZ-CE 3.93Å; F17-M130 HydrophobicContact CB-CG 4.3Å; F17-M130 HydrophobicContact CB-SD 3.19Å; F17-M130 WeakPolarHBondContact CB-SD 3.43Å; F17-M130 HydrophobicContact CD1-CG 3.96Å; F17-M130 HydrophobicContact CD1-SD 3.97Å; F17-M130 HydrophobicContact CD2-CG 3.82Å; F17-M130 HydrophobicContact CD2-SD 3.54Å; F17-M130 VanDerWaalsContact CD2-SD 3.54Å; F17-M130 HydrophobicContact CE1-CG 4.25Å; F17-M130 HydrophobicContact CE2-CG 4.11Å; F17-M130 HydrophobicContact CE2-SD 4.39Å; F17-M130 HydrophobicContact CG-CG 3.76Å; F17-M130 HydrophobicContact CG-SD 3.29Å; F17-M130 WeakPolarHBondContact CG-SD 3.29Å; F17-M130 HydrophobicContact CZ-CG 4.34Å; R118-M130 CarbonylContact C-O 3.56Å; R118-M130 VanDerWaalsContact CA-O 3.26Å; R118-M130 WeakPolarHBondContact CA-O 3.39Å; S119-M130 PolarHBondContact N-O 3.04Å; S119-M130 PolarHBondContact O-N 3.47Å; I128-M130 HydrophobicContact CG2-CG 3.67Å; I128-M130 HydrophobicContact CG2-SD 4.35Å; M130-T153 CarbonylContact C-O 3.52Å; M130-T153 WeakPolarHBondContact CA-O 3.46Å |
| 131 | N | 97.3 | Very high | 95.5 | Very high | 26 Ų | 26 | 53 Ų | 53 | 14% | 0.139 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 157.8 | 171.8 | 69.3 | 75.4 | 0 | 0 | 0 | 111.7 | T116 L117 R118 T153 | T116-N131 HydrophobicContact CG2-CB 4.44Å; L117-N131 CarbonylContact O-C 3.51Å; L117-N131 WeakPolarHBondContact O-CA 3.19Å; L117-N131 VanDerWaalsContact O-CB 3.31Å; L117-N131 WeakPolarHBondContact O-CB 3.37Å; R118-N131 HydrophobicContact CB-CB 4.01Å; N131-T153 PolarHBondContact N-O 3.27Å; N131-T153 PolarHBondContact ND2-O 3.37Å; N131-T153 PolarHBondContact O-N 2.83Å; N131-T153 VanDerWaalsContact O-O 3.1Å |
| 132 | Y | 96.2 | Very high | 95.1 | Very high | 36 Ų | 36 | 54.6 Ų | 54.6 | 14% | 0.141 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 159.2 | 168.5 | 67.9 | -90.1 | 0 | 0 | 0 | 109.6 | V6 T7 P9 T116 L117 V134 L151 I238 | V6-Y132 HydrophobicContact CG1-CE2 4.46Å; V6-Y132 WeakPolarHBondContact CG1-OH 3.19Å; T7-Y132 PolarHBondContact N-OH 3.42Å; T7-Y132 PolarHBondContact O-OH 3.16Å; P9-Y132 HydrophobicContact CG-CE1 4.47Å; T116-Y132 VanDerWaalsContact CA-O 3.27Å; T116-Y132 WeakPolarHBondContact CA-O 3.43Å; L117-Y132 HydrophobicContact CB-CE1 4.35Å; L117-Y132 HydrophobicContact CD1-CE1 4.44Å; L117-Y132 HydrophobicContact CD2-CE1 3.98Å; L117-Y132 HydrophobicContact CG-CE1 4.49Å; L117-Y132 PolarHBondContact N-O 3Å; L117-Y132 PolarHBondContact O-N 3.1Å; L117-Y132 VanDerWaalsContact O-N 3.08Å; Y132-V134 HydrophobicContact CD2-CG1 4.12Å; Y132-V134 HydrophobicContact CE2-CG1 3.57Å; Y132-L151 WeakPolarHBondContact CB-O 3.09Å; Y132-I238 HydrophobicContact CE2-CD1 3.86Å |
| 133 | S | 95.4 | Very high | 94.6 | Very high | 3 Ų | 3 | 60.7 Ų | 60.7 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 134.3 | -173.6 | -71.7 | 0 | 0 | 0 | 0 | 113.1 | V114 I115 S150 Q239 | V114-S133 WeakPolarHBondContact CG2-OG 3.42Å; I115-S133 VanDerWaalsContact O-CA 3.26Å; I115-S133 WeakPolarHBondContact O-CA 3.3Å; S133-S150 PolarHBondContact N-O 3.25Å; S133-S150 PolarHBondContact OG-N 3.47Å; S133-Q239 PolarHBondContact O-N 2.93Å |
| 134 | V | 96.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 160.1 | 174.3 | -62 | 0 | 0 | 0 | 0 | 109.9 | V6 V98 I115 L117 Y132 L236 S237 | V6-V134 HydrophobicContact CG1-CG1 3.85Å; V6-V134 HydrophobicContact CG2-CG1 4.28Å; V98-V134 HydrophobicContact CG1-CG2 4.01Å; I115-V134 WeakPolarHBondContact CB-O 3.4Å; I115-V134 HydrophobicContact CG2-CG2 3.88Å; I115-V134 PolarHBondContact O-N 3.38Å; I115-V134 VanDerWaalsContact O-N 3.08Å; L117-V134 HydrophobicContact CB-CG1 3.74Å; L117-V134 HydrophobicContact CB-CG2 4.28Å; Y132-V134 HydrophobicContact CD2-CG1 4.12Å; Y132-V134 HydrophobicContact CE2-CG1 3.57Å; V134-L236 HydrophobicContact CG2-CD1 4.44Å; V134-L236 HydrophobicContact CG2-CD2 4.39Å; V134-S237 CarbonylContact C-O 3.55Å; V134-S237 WeakPolarHBondContact CA-O 3.31Å |
| 135 | K | 95.9 | Very high | 94.3 | Very high | 62 Ų | 62 | 60.2 Ų | 60.2 | 27% | 0.27 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 138.9 | 167.9 | -67.3 | 179.7 | -179.5 | -172.7 | 0 | 108.9 | L236 S237 Q239 S243 | K135-L236 WeakPolarHBondContact O-CA 3.44Å; K135-S237 WeakPolarHBondContact CB-OG 2.96Å; K135-S237 PolarHBondContact N-O 3.31Å; K135-S237 PolarHBondContact O-N 3.07Å; K135-Q239 HydrophobicContact CG-CB 4.13Å; K135-Q239 VanDerWaalsContact CG-OE1 3.27Å; K135-S243 WeakPolarHBondContact CE-OG 3.27Å; K135-S243 PolarHBondContact NZ-OG 3.28Å |
| 136 | H | 95.7 | Very high | 94.1 | Very high | 9 Ų | 9 | 53.5 Ų | 53.5 | 4% | 0.042 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 125.7 | 168.5 | -171.8 | -62.5 | 0 | 0 | 0 | 108 | I115 K138 Y139 L236 | I115-H136 HydrophobicContact CD1-CB 4.37Å; I115-H136 HydrophobicContact CG2-CB 4.42Å; H136-K138 VanDerWaalsContact C-N 3.26Å; H136-K138 PolarHBondContact ND1-N 3.27Å; H136-K138 PolarHBondContact O-N 3.1Å; H136-K138 VanDerWaalsContact O-N 3.15Å; H136-Y139 HydrophobicContact CB-CD2 4.12Å; H136-Y139 AromaticContact CG-CD2 3.82Å; H136-Y139 AromaticContact ND1-CD2 3.49Å; H136-Y139 WeakPolarHBondContact ND1-CD2 3.49Å; H136-Y139 AromaticContact ND1-CE2 3.92Å; H136-Y139 CarbonylContact O-C 3.56Å; H136-Y139 PolarHBondContact O-N 3.47Å; H136-L236 HydrophobicContact CB-CD2 4.22Å |
| 137 | A | 92.4 | Very high | 93.9 | Very high | 95 Ų | 95 | 53 Ų | 53 | 79% | 0.785 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -36.2 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y139 | A137-Y139 PolarHBondContact O-N 3.42Š|
| 138 | K | 95.6 | Very high | 93.5 | Very high | 163 Ų | 163 | 52.7 Ų | 52.7 | 71% | 0.709 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -8.4 | 177.4 | -58.7 | -179 | -174.6 | 166.3 | 0 | 115.2 | H136 P140 | H136-K138 VanDerWaalsContact C-N 3.26Å; H136-K138 PolarHBondContact ND1-N 3.27Å; H136-K138 PolarHBondContact O-N 3.1Å; H136-K138 VanDerWaalsContact O-N 3.15Å; K138-P140 VanDerWaalsContact C-CD 3.43Å; K138-P140 WeakPolarHBondContact O-CD 3.27Å |
| 139 | Y | 95.8 | Very high | 92.9 | Very high | 71 Ų | 71 | 53 Ų | 53 | 28% | 0.278 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -128.7 | 63.6 | -176.8 | -59.6 | -90.1 | 0 | 0 | 0 | 111.2 | F87 I89 I115 H136 A137 R147 | F87-Y139 AromaticContact CE2-CE1 3.64Å; F87-Y139 HydrophobicContact CE2-CE1 3.64Å; F87-Y139 HydrophobicContact CZ-CD1 4.3Å; F87-Y139 AromaticContact CZ-CE1 3.66Å; F87-Y139 HydrophobicContact CZ-CE1 3.66Å; I89-Y139 HydrophobicContact CB-CE2 4.31Å; I89-Y139 HydrophobicContact CD1-CD2 3.78Å; I89-Y139 HydrophobicContact CD1-CE2 3.82Å; I89-Y139 HydrophobicContact CD1-CG 4.17Å; I89-Y139 HydrophobicContact CG1-CD2 4.36Å; I89-Y139 HydrophobicContact CG1-CE1 4.44Å; I89-Y139 HydrophobicContact CG1-CE2 3.87Å; I89-Y139 HydrophobicContact CG2-CD2 4.26Å; I89-Y139 HydrophobicContact CG2-CE2 3.43Å; I89-Y139 VanDerWaalsContact CG2-CE2 3.43Å; I115-Y139 HydrophobicContact CD1-CG 4.39Å; I115-Y139 WeakPolarHBondContact CD1-O 3.32Å; H136-Y139 HydrophobicContact CB-CD2 4.12Å; H136-Y139 AromaticContact CG-CD2 3.82Å; H136-Y139 AromaticContact ND1-CD2 3.49Å; H136-Y139 WeakPolarHBondContact ND1-CD2 3.49Å; H136-Y139 AromaticContact ND1-CE2 3.92Å; H136-Y139 CarbonylContact O-C 3.56Å; H136-Y139 PolarHBondContact O-N 3.47Å; A137-Y139 PolarHBondContact O-N 3.42Å; Y139-R147 PolarHBondContact O-NH1 2.9Å; Y139-R147 PolarHBondContact O-NH2 2.96Å |
| 140 | P | 94.2 | Very high | 92.4 | Very high | 85 Ų | 85 | 53.4 Ų | 53.4 | 55% | 0.552 | 28% | 0.279 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 166.5 | 176.4 | 30.5 | -36.2 | 0 | 0 | 0 | 111.7 | K138 R147 | K138-P140 VanDerWaalsContact C-CD 3.43Å; K138-P140 WeakPolarHBondContact O-CD 3.27Å; P140-R147 PolarHBondContact O-NH2 3.43Å; P140-R147 VanDerWaalsContact O-NH2 3.09Å |
| 141 | P | 91.6 | Very high | 92 | Very high | 76 Ų | 76 | 56.4 Ų | 56.4 | 49% | 0.494 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -53.7 | 138.3 | 171.9 | -26.1 | 35.9 | 0 | 0 | 0 | 112.3 | R147 L244 | P141-R147 HydrophobicContact CB-CB 4.32Å; P141-R147 HydrophobicContact CG-CB 4.39Å; P141-L244 HydrophobicContact CG-CD2 4Å |
| 142 | K | 90 | Very high | 91.7 | Very high | 77 Ų | 77 | 57.4 Ų | 57.4 | 34% | 0.335 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -90 | 140.9 | 177.8 | -64 | 178.9 | 177.6 | 173.7 | 0 | 110 | E85 Y100 D144 M145 | E85-K142 IonicContact OE2-NZ 3.4Å; E85-K142 PolarHBondContact OE2-NZ 3.31Å; E85-K142 VanDerWaalsContact OE2-NZ 3.09Å; Y100-K142 VanDerWaalsContact OH-CE 3.31Å; Y100-K142 WeakPolarHBondContact OH-CE 3.35Å; Y100-K142 PolarHBondContact OH-NZ 3.16Å; K142-D144 VanDerWaalsContact C-N 3.26Å; K142-D144 PolarHBondContact O-N 2.86Å; K142-M145 HydrophobicContact CB-CB 4.45Å; K142-M145 HydrophobicContact CD-SD 4.36Å; K142-M145 PolarHBondContact O-N 3Å |
| 143 | K | 85.5 | Confident | 91.7 | Very high | 201 Ų | 201 | 56.3 Ų | 56.3 | 87% | 0.874 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -31.5 | -175.4 | -176.7 | 177.6 | 177.8 | -179.3 | 0 | 113.5 | R110 | R110-K143 PolarHBondContact NH2-O 2.86Š|
| 144 | D | 86.9 | Confident | 91.7 | Very high | 105 Ų | 105 | 56.2 Ų | 56.2 | 56% | 0.561 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -7.1 | -175.4 | 63.8 | -38.9 | 0 | 0 | 0 | 113.8 | R110 K142 | R110-D144 VanDerWaalsContact NH2-CA 3.27Å; R110-D144 PolarHBondContact NH2-O 3.44Å; K142-D144 VanDerWaalsContact C-N 3.26Å; K142-D144 PolarHBondContact O-N 2.86Å |
| 145 | M | 89.2 | Confident | 91.8 | Very high | 18 Ų | 18 | 58 Ų | 58 | 9% | 0.089 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -122.5 | 160.1 | -179.7 | -59.8 | -171.6 | -180 | 0 | 0 | 112.8 | I84 N111 D113 K142 | I84-M145 HydrophobicContact CD1-CE 4.09Å; I84-M145 HydrophobicContact CG2-CE 4.28Å; N111-M145 HydrophobicContact CB-CG 4.36Å; N111-M145 CarbonylContact O-C 3.41Å; N111-M145 WeakPolarHBondContact O-CA 3.38Å; D113-M145 HydrophobicContact CB-SD 4.08Å; K142-M145 HydrophobicContact CB-CB 4.45Å; K142-M145 HydrophobicContact CD-SD 4.36Å; K142-M145 PolarHBondContact O-N 3Å |
| 146 | V | 89.3 | Confident | 91.9 | Very high | 21 Ų | 21 | 55 Ų | 55 | 13% | 0.127 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 121.8 | 169.9 | 178.4 | 0 | 0 | 0 | 0 | 108.5 | R110 N111 R112 D113 A148 I247 | R110-V146 HydrophobicContact CB-CG2 3.75Å; N111-V146 PolarHBondContact O-N 3.46Å; R112-V146 WeakPolarHBondContact CA-O 3.26Å; R112-V146 HydrophobicContact CG-CB 3.99Å; R112-V146 HydrophobicContact CG-CG1 4.36Å; D113-V146 PolarHBondContact N-O 2.87Å; V146-A148 PolarHBondContact O-N 2.95Å; V146-A148 VanDerWaalsContact O-N 3.15Å; V146-I247 HydrophobicContact CB-CD1 4.44Å; V146-I247 HydrophobicContact CG2-CB 4.49Å; V146-I247 HydrophobicContact CG2-CD1 3.73Å; V146-I247 HydrophobicContact CG2-CG2 4.36Å |
| 147 | R | 91.6 | Very high | 92.1 | Very high | 20 Ų | 20 | 54.6 Ų | 54.6 | 8% | 0.075 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 107.4 | 171.7 | 177.4 | 59 | 54.6 | 84.8 | -0.7 | 109.5 | D113 Y139 P140 P141 L244 | D113-R147 VanDerWaalsContact OD1-CA 3.31Å; D113-R147 WeakPolarHBondContact OD1-CA 3.43Å; D113-R147 IonicContact OD1-CZ 3.03Å; D113-R147 IonicContact OD1-NE 3.38Å; D113-R147 PolarHBondContact OD1-NE 3.31Å; D113-R147 IonicContact OD1-NH2 3.09Å; D113-R147 IonicContact OD2-CZ 3.59Å; D113-R147 IonicContact OD2-NE 3.69Å; D113-R147 IonicContact OD2-NH2 3.51Å; D113-R147 PolarHBondContact OD2-NH2 3.11Å; Y139-R147 PolarHBondContact O-NH1 2.9Å; Y139-R147 PolarHBondContact O-NH2 2.96Å; P140-R147 PolarHBondContact O-NH2 3.43Å; P140-R147 VanDerWaalsContact O-NH2 3.09Å; P141-R147 HydrophobicContact CB-CB 4.32Å; P141-R147 HydrophobicContact CG-CB 4.39Å; R147-L244 HydrophobicContact CB-CD1 4Å; R147-L244 HydrophobicContact CB-CD2 4.1Å; R147-L244 HydrophobicContact CG-CD1 3.75Å; R147-L244 HydrophobicContact CG-CD2 3.92Å; R147-L244 WeakPolarHBondContact O-CD1 3.13Å |
| 148 | A | 88.3 | Confident | 92.4 | Very high | 23 Ų | 23 | 51.7 Ų | 51.7 | 19% | 0.19 | 26% | 0.258 | C | S | . | . | trans | -76.1 | 155.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | W103 R112 D113 V146 | W103-A148 HydrophobicContact CH2-CB 3.58Å; W103-A148 HydrophobicContact CZ2-CB 4.23Å; R112-A148 HydrophobicContact CB-CB 4.37Å; R112-A148 HydrophobicContact CG-CB 4.28Å; D113-A148 PolarHBondContact O-N 3.14Å; V146-A148 PolarHBondContact O-N 2.95Å; V146-A148 VanDerWaalsContact O-N 3.15Å | ||
| 149 | V | 87.8 | Confident | 92.5 | Very high | 8 Ų | 8 | 45.5 Ų | 45.5 | 5% | 0.048 | 24% | 0.235 | C | C | . | . | trans | -125.8 | 112.4 | 176.7 | -174.2 | 0 | 0 | 0 | 0 | 109.9 | L151 Q239 A241 L244 | V149-L151 HydrophobicContact CG1-CD2 4.28Å; V149-Q239 HydrophobicContact CB-CG 4.48Å; V149-Q239 HydrophobicContact CG1-CG 4.17Å; V149-Q239 WeakPolarHBondContact CG1-O 3.11Å; V149-Q239 HydrophobicContact CG2-CG 3.69Å; V149-A241 HydrophobicContact CB-CB 4.07Å; V149-A241 HydrophobicContact CG1-CB 4.34Å; V149-A241 HydrophobicContact CG2-CB 3.86Å; V149-L244 HydrophobicContact CG2-CD1 3.41Å; V149-L244 VanDerWaalsContact CG2-CD1 3.41Å | ||
| 150 | S | 87.5 | Confident | 92.5 | Very high | 14 Ų | 14 | 47.2 Ų | 47.2 | 10% | 0.098 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 111.9 | 168.5 | 176.8 | 0 | 0 | 0 | 0 | 108.2 | S133 T153 | S133-S150 PolarHBondContact N-O 3.25Å; S133-S150 PolarHBondContact OG-N 3.47Å; S150-T153 WeakPolarHBondContact OG-CB 3.27Å; S150-T153 PolarHBondContact OG-N 3.25Å; S150-T153 PolarHBondContact OG-OG1 3.09Å |
| 151 | L | 89.1 | Confident | 92.5 | Very high | 71 Ų | 71 | 44.8 Ų | 44.8 | 37% | 0.372 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | -40.9 | 174.6 | -63.2 | 179.5 | 0 | 0 | 0 | 110.3 | V49 Y132 V149 Q172 D174 | V49-L151 HydrophobicContact CG1-CD1 3.78Å; V49-L151 HydrophobicContact CG2-CD1 4.14Å; Y132-L151 WeakPolarHBondContact CB-O 3.09Å; V149-L151 HydrophobicContact CG1-CD2 4.28Å; L151-Q172 HydrophobicContact CB-CB 4.31Å; L151-Q172 HydrophobicContact CB-CG 4.07Å; L151-Q172 WeakPolarHBondContact CB-O 3.31Å; L151-Q172 HydrophobicContact CD1-CG 4.09Å; L151-Q172 PolarHBondContact N-O 3.42Å; L151-D174 HydrophobicContact CD1-CB 4.16Å; L151-D174 HydrophobicContact CG-CB 4.46Å |
| 152 | Q | 91.9 | Very high | 92.6 | Very high | 47 Ų | 47 | 47 Ų | 47 | 22% | 0.22 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 128.6 | 169.5 | -174.6 | 179.3 | 41.6 | 0 | 0 | 107.7 | F17 A171 Q172 | F17-Q152 HydrophobicContact CD2-CG 4.32Å; F17-Q152 HydrophobicContact CE2-CG 4.45Å; Q152-A171 CarbonylContact O-C 3.59Å; Q152-A171 WeakPolarHBondContact O-CA 3.47Å; Q152-Q172 HydrophobicContact CB-CB 4.36Å; Q152-Q172 PolarHBondContact N-O 2.95Å; Q152-Q172 PolarHBondContact O-N 2.78Å |
| 153 | T | 94.6 | Very high | 92.9 | Very high | 14 Ų | 14 | 46.8 Ų | 46.8 | 9% | 0.086 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 146.9 | 170.6 | -64.7 | 0 | 0 | 0 | 0 | 108.8 | M130 N131 S150 Y169 M170 A171 | M130-T153 CarbonylContact C-O 3.52Å; M130-T153 WeakPolarHBondContact CA-O 3.46Å; N131-T153 PolarHBondContact N-O 3.27Å; N131-T153 PolarHBondContact ND2-O 3.37Å; N131-T153 PolarHBondContact O-N 2.83Å; N131-T153 VanDerWaalsContact O-O 3.1Å; S150-T153 WeakPolarHBondContact OG-CB 3.27Å; S150-T153 PolarHBondContact OG-N 3.25Å; S150-T153 PolarHBondContact OG-OG1 3.09Å; T153-Y169 HydrophobicContact CG2-CD2 4.36Å; T153-Y169 HydrophobicContact CG2-CE2 3.47Å; T153-Y169 VanDerWaalsContact CG2-CE2 3.47Å; T153-M170 CarbonylContact C-O 3.55Å; T153-M170 VanDerWaalsContact CA-O 3.27Å; T153-M170 WeakPolarHBondContact CA-O 3.33Å; T153-A171 HydrophobicContact CG2-CB 4.1Å |
| 154 | G | 96.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.9 | 178.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | F17 I129 Y169 M170 | F17-G154 VanDerWaalsContact CZ-C 3.47Å; F17-G154 VanDerWaalsContact CZ-CA 3.47Å; I129-G154 CarbonylContact O-C 3.6Å; I129-G154 WeakPolarHBondContact O-CA 3.38Å; G154-Y169 WeakPolarHBondContact O-CA 3.38Å; G154-M170 PolarHBondContact N-O 2.83Å; G154-M170 PolarHBondContact O-N 3.28Å |
| 155 | Y | 98.4 | Very high | 94 | Very high | 37 Ų | 37 | 34.4 Ų | 34.4 | 15% | 0.145 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 134.1 | 177.9 | -58 | -85.1 | 0 | 0 | 0 | 109 | L70 I128 I129 L167 T168 Y169 I199 | L70-Y155 HydrophobicContact CD1-CD1 4.01Å; L70-Y155 HydrophobicContact CD1-CD2 3.95Å; L70-Y155 HydrophobicContact CD1-CG 3.62Å; L70-Y155 HydrophobicContact CD2-CD1 4.25Å; L70-Y155 HydrophobicContact CD2-CD2 4.24Å; L70-Y155 HydrophobicContact CD2-CE1 4.06Å; L70-Y155 HydrophobicContact CD2-CE2 4.06Å; L70-Y155 HydrophobicContact CD2-CG 4.33Å; I128-Y155 WeakPolarHBondContact CA-O 3.34Å; I129-Y155 PolarHBondContact N-O 3.32Å; I129-Y155 PolarHBondContact O-N 3.01Å; Y155-L167 HydrophobicContact CD1-CD1 3.96Å; Y155-L167 HydrophobicContact CD1-CD2 4.48Å; Y155-L167 HydrophobicContact CD1-CG 4.45Å; Y155-L167 HydrophobicContact CG-CD1 4.46Å; Y155-T168 CarbonylContact C-O 3.47Å; Y155-T168 WeakPolarHBondContact CA-O 3.43Å; Y155-Y169 AromaticContact CD1-CD2 3.89Å; Y155-Y169 HydrophobicContact CD1-CD2 3.89Å; Y155-Y169 HydrophobicContact CD1-CG 4.48Å; Y155-Y169 AromaticContact CE1-CD2 3.38Å; Y155-Y169 HydrophobicContact CE1-CD2 3.38Å; Y155-Y169 HydrophobicContact CE1-CE2 4.18Å; Y155-Y169 HydrophobicContact CE1-CG 4.12Å; Y155-Y169 AromaticContact CZ-CD2 3.73Å; Y155-I199 HydrophobicContact CE1-CD1 4.17Å |
| 156 | M | 98.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 120.2 | 163.5 | 179.7 | 179.7 | 73 | 0 | 0 | 107.8 | F17 K18 C21 L22 Y127 I128 Q158 T168 | F17-M156 HydrophobicContact CE1-CB 4.35Å; K18-M156 HydrophobicContact CB-SD 4.47Å; K18-M156 HydrophobicContact CG-SD 3.9Å; C21-M156 HydrophobicContact CB-CB 4.36Å; C21-M156 HydrophobicContact CB-CE 3.53Å; C21-M156 HydrophobicContact CB-SD 3.87Å; L22-M156 HydrophobicContact CD2-CE 3.61Å; L22-M156 HydrophobicContact CD2-SD 4.49Å; L22-M156 HydrophobicContact CG-CE 3.97Å; L22-M156 HydrophobicContact CG-SD 4.39Å; Y127-M156 CarbonylContact O-C 3.58Å; Y127-M156 WeakPolarHBondContact O-CA 3.47Å; I128-M156 HydrophobicContact CG1-CB 4.42Å; I128-M156 HydrophobicContact CG1-CG 4.19Å; M156-Q158 HydrophobicContact CE-CG 4.03Å; M156-Q158 HydrophobicContact CG-CG 4.12Å; M156-Q158 HydrophobicContact SD-CG 4.36Å; M156-T168 PolarHBondContact N-O 3.02Å; M156-T168 PolarHBondContact O-N 3.09Å |
| 157 | I | 98.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 118.1 | 177.5 | -54.4 | 159.8 | 0 | 0 | 0 | 107 | A63 M66 Y67 L70 D126 Y127 C165 L167 | A63-I157 HydrophobicContact CB-CG2 3.76Å; M66-I157 HydrophobicContact CB-CD1 4.25Å; M66-I157 HydrophobicContact CB-CG2 4.14Å; M66-I157 HydrophobicContact CG-CD1 3.77Å; M66-I157 HydrophobicContact CG-CG1 3.81Å; M66-I157 HydrophobicContact CG-CG2 4.05Å; Y67-I157 HydrophobicContact CD2-CD1 4.04Å; Y67-I157 HydrophobicContact CG-CD1 4.48Å; L70-I157 HydrophobicContact CD1-CD1 3.92Å; L70-I157 HydrophobicContact CD1-CG1 4.33Å; D126-I157 CarbonylContact C-O 3.48Å; D126-I157 VanDerWaalsContact CA-O 3.22Å; D126-I157 WeakPolarHBondContact CA-O 3.34Å; D126-I157 WeakPolarHBondContact CB-O 3.42Å; Y127-I157 HydrophobicContact CD2-CB 4.36Å; Y127-I157 HydrophobicContact CD2-CG2 4.46Å; Y127-I157 PolarHBondContact N-O 2.91Å; Y127-I157 PolarHBondContact O-N 3.25Å; I157-C165 HydrophobicContact CG2-CB 3.97Å; I157-L167 HydrophobicContact CG1-CD1 3.74Å |
| 158 | Q | 98.3 | Very high | 95.2 | Very high | 34 Ų | 34 | 32.2 Ų | 32.2 | 16% | 0.159 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 124.6 | 177.3 | -59.4 | -178.8 | -82.8 | 0 | 0 | 110 | D126 M156 Q160 C165 T166 | D126-Q158 VanDerWaalsContact OD1-CA 3.28Å; D126-Q158 WeakPolarHBondContact OD1-CA 3.27Å; M156-Q158 HydrophobicContact CE-CG 4.03Å; M156-Q158 HydrophobicContact CG-CG 4.12Å; M156-Q158 HydrophobicContact SD-CG 4.36Å; Q158-Q160 PolarHBondContact O-N 2.74Å; Q158-C165 CarbonylContact O-C 3.53Å; Q158-C165 WeakPolarHBondContact O-CA 3.31Å; Q158-C165 WeakPolarHBondContact O-CB 3.17Å; Q158-T166 PolarHBondContact N-O 3.08Å; Q158-T166 PolarHBondContact O-N 2.79Å |
| 159 | S | 97.5 | Very high | 95.6 | Very high | 33 Ų | 33 | 33.7 Ų | 33.7 | 23% | 0.231 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 131.7 | 176.2 | 162.2 | 0 | 0 | 0 | 0 | 110.5 | K125 D126 | K125-S159 WeakPolarHBondContact O-CB 3.42Å; D126-S159 PolarHBondContact OD1-N 2.95Å |
| 160 | Q | 96.5 | Very high | 95.9 | Very high | 106 Ų | 106 | 33.5 Ų | 33.5 | 50% | 0.495 | 19% | 0.189 | S | C | . | . | trans | -119.2 | 34.6 | 176.9 | -61.4 | -64.3 | -34.3 | 0 | 0 | 110.8 | Q158 N164 T166 | Q158-Q160 PolarHBondContact O-N 2.74Å; Q160-N164 CarbonylContact C-O 3.48Å; Q160-N164 WeakPolarHBondContact CA-O 3.37Å; Q160-N164 HydrophobicContact CB-CB 4.01Å; Q160-N164 PolarHBondContact N-O 3.39Å; Q160-T166 WeakPolarHBondContact CG-OG1 3.46Å | ||
| 161 | G | 93.6 | Very high | 96.1 | Very high | 34 Ų | 34 | 33 Ų | 33 | 35% | 0.351 | 19% | 0.186 | S | C | . | . | S | Bend | trans | 108.4 | -175.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | T163 | G161-T163 VanDerWaalsContact C-N 3.26Å; G161-T163 PolarHBondContact O-N 3.39Å |
| 162 | P | 94.1 | Very high | 96 | Very high | 123 Ų | 123 | 31.4 Ų | 31.4 | 80% | 0.799 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -27.2 | -171.8 | -24.5 | 34.5 | 0 | 0 | 0 | 114.8 | P62 | P62-P162 WeakPolarHBondContact CB-O 3.26Å; P62-P162 WeakPolarHBondContact CG-O 3.44Å |
| 163 | T | 95.9 | Very high | 95.2 | Very high | 73 Ų | 73 | 32 Ų | 32 | 45% | 0.448 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.4 | 3.9 | -171.6 | 58.4 | 0 | 0 | 0 | 0 | 113.9 | D60 V61 G161 | D60-T163 CarbonylContact C-O 3.17Å; D60-T163 WeakPolarHBondContact CA-O 3.46Å; D60-T163 PolarHBondContact N-O 3.32Å; D60-T163 VanDerWaalsContact N-O 3.12Å; V61-T163 CarbonylContact C-O 3.31Å; V61-T163 VanDerWaalsContact C-O 3.31Å; V61-T163 PolarHBondContact N-O 2.94Å; G161-T163 VanDerWaalsContact C-N 3.26Å; G161-T163 PolarHBondContact O-N 3.39Å |
| 164 | N | 97.3 | Very high | 94 | Very high | 45 Ų | 45 | 32.4 Ų | 32.4 | 24% | 0.241 | 18% | 0.184 | C | C | . | . | trans | -137.2 | 148.6 | -174.4 | -54.5 | -74 | 0 | 0 | 0 | 111.1 | K59 D60 V61 Q160 | K59-N164 VanDerWaalsContact CA-OD1 3.3Å; K59-N164 WeakPolarHBondContact CA-OD1 3.35Å; D60-N164 PolarHBondContact N-OD1 2.94Å; V61-N164 CarbonylContact O-C 3.59Å; V61-N164 VanDerWaalsContact O-CA 3.28Å; V61-N164 WeakPolarHBondContact O-CA 3.3Å; Q160-N164 CarbonylContact C-O 3.48Å; Q160-N164 WeakPolarHBondContact CA-O 3.37Å; Q160-N164 HydrophobicContact CB-CB 4.01Å; Q160-N164 PolarHBondContact N-O 3.39Å | ||
| 165 | C | 98.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 158.8 | 169.7 | 71.5 | 0 | 0 | 0 | 0 | 111.7 | C58 V61 A63 I157 Q158 | C58-C165 WeakPolarHBondContact CA-O 3.21Å; C58-C165 WeakPolarHBondContact CB-O 3.48Å; C58-C165 PolarHBondContact N-O 2.96Å; C58-C165 PolarHBondContact O-N 3.01Å; V61-C165 PolarHBondContact O-N 2.84Å; V61-C165 VanDerWaalsContact O-N 3.12Å; A63-C165 HydrophobicContact CB-CB 3.97Å; I157-C165 HydrophobicContact CG2-CB 3.97Å; Q158-C165 CarbonylContact O-C 3.53Å; Q158-C165 WeakPolarHBondContact O-CA 3.31Å; Q158-C165 WeakPolarHBondContact O-CB 3.17Å |
| 166 | T | 98.4 | Very high | 90.3 | Very high | 13 Ų | 13 | 35.1 Ų | 35.1 | 8% | 0.08 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 122.1 | 165.8 | -62.4 | 0 | 0 | 0 | 0 | 108.3 | R55 M56 Q158 Q160 | R55-T166 HydrophobicContact CG-CG2 3.52Å; M56-T166 WeakPolarHBondContact O-CA 3.35Å; Q158-T166 PolarHBondContact N-O 3.08Å; Q158-T166 PolarHBondContact O-N 2.79Å; Q160-T166 WeakPolarHBondContact CG-OG1 3.46Å |
| 167 | L | 98.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 122.3 | 173.4 | -177.4 | 67.8 | 0 | 0 | 0 | 108.8 | R55 M56 M66 L70 Y155 I157 M196 I199 | R55-L167 CarbonylContact C-O 3.55Å; R55-L167 WeakPolarHBondContact CA-O 3.24Å; M56-L167 PolarHBondContact N-O 2.91Å; M56-L167 PolarHBondContact O-N 2.8Å; M66-L167 HydrophobicContact CE-CB 4.25Å; M66-L167 HydrophobicContact CE-CD2 4.01Å; M66-L167 HydrophobicContact CG-CD1 4.07Å; M66-L167 HydrophobicContact SD-CD1 4.16Å; M66-L167 HydrophobicContact SD-CD2 3.84Å; M66-L167 HydrophobicContact SD-CG 4.46Å; L70-L167 HydrophobicContact CD1-CD1 4.14Å; Y155-L167 HydrophobicContact CD1-CD1 3.96Å; Y155-L167 HydrophobicContact CD1-CD2 4.48Å; Y155-L167 HydrophobicContact CD1-CG 4.45Å; Y155-L167 HydrophobicContact CG-CD1 4.46Å; I157-L167 HydrophobicContact CG1-CD1 3.74Å; L167-M196 HydrophobicContact CB-CE 3.9Å; L167-M196 HydrophobicContact CD2-CE 3.52Å; L167-M196 HydrophobicContact CD2-SD 3.52Å; L167-M196 VanDerWaalsContact CD2-SD 3.52Å; L167-M196 HydrophobicContact CG-CE 3.55Å; L167-M196 HydrophobicContact CG-SD 4.09Å; L167-M196 VanDerWaalsContact O-CE 3.3Å; L167-M196 WeakPolarHBondContact O-CE 3.4Å; L167-I199 HydrophobicContact CD2-CG2 4.28Å |
| 168 | T | 98.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 116.3 | 167.4 | -56 | 0 | 0 | 0 | 0 | 108.7 | C21 K53 C54 Y155 M156 | C21-T168 HydrophobicContact CB-CG2 3.96Å; K53-T168 HydrophobicContact CD-CG2 4.17Å; K53-T168 HydrophobicContact CG-CG2 3.88Å; C54-T168 CarbonylContact O-C 3.57Å; C54-T168 WeakPolarHBondContact O-CA 3.32Å; Y155-T168 CarbonylContact C-O 3.47Å; Y155-T168 WeakPolarHBondContact CA-O 3.43Å; M156-T168 PolarHBondContact N-O 3.02Å; M156-T168 PolarHBondContact O-N 3.09Å |
| 169 | Y | 97.1 | Very high | 85.1 | Confident | 54 Ų | 54 | 38.5 Ų | 38.5 | 21% | 0.212 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 132.5 | 168.6 | 167.7 | -103.4 | 0 | 0 | 0 | 109.1 | K53 C54 T153 G154 Y155 A171 M196 | K53-Y169 CarbonylContact C-O 3.56Å; K53-Y169 WeakPolarHBondContact CA-O 3.38Å; C54-Y169 HydrophobicContact CB-CD1 4.38Å; C54-Y169 PolarHBondContact N-O 2.79Å; C54-Y169 PolarHBondContact O-N 2.93Å; T153-Y169 HydrophobicContact CG2-CD2 4.36Å; T153-Y169 HydrophobicContact CG2-CE2 3.47Å; T153-Y169 VanDerWaalsContact CG2-CE2 3.47Å; G154-Y169 WeakPolarHBondContact O-CA 3.38Å; Y155-Y169 AromaticContact CD1-CD2 3.89Å; Y155-Y169 HydrophobicContact CD1-CD2 3.89Å; Y155-Y169 HydrophobicContact CD1-CG 4.48Å; Y155-Y169 AromaticContact CE1-CD2 3.38Å; Y155-Y169 HydrophobicContact CE1-CD2 3.38Å; Y155-Y169 HydrophobicContact CE1-CE2 4.18Å; Y155-Y169 HydrophobicContact CE1-CG 4.12Å; Y155-Y169 AromaticContact CZ-CD2 3.73Å; Y169-A171 HydrophobicContact CE1-CB 3.82Å; Y169-A171 HydrophobicContact CE2-CB 4.35Å; Y169-A171 VanDerWaalsContact OH-CB 3.3Å; Y169-A171 WeakPolarHBondContact OH-CB 3.44Å; Y169-M196 VanDerWaalsContact CB-SD 3.52Å; Y169-M196 HydrophobicContact CG-SD 4.41Å |
| 170 | M | 95.1 | Very high | 83.8 | Confident | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.02 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 135.5 | 173.3 | -173.9 | 174.7 | 70.5 | 0 | 0 | 109.4 | F17 E20 W27 I52 T153 G154 | F17-M170 HydrophobicContact CD2-CE 3.33Å; F17-M170 HydrophobicContact CE2-CB 4.21Å; F17-M170 HydrophobicContact CE2-CE 3.28Å; F17-M170 HydrophobicContact CG-CE 4.18Å; F17-M170 HydrophobicContact CZ-CB 4.12Å; F17-M170 HydrophobicContact CZ-CE 4.07Å; E20-M170 HydrophobicContact CB-CE 4.05Å; E20-M170 HydrophobicContact CB-SD 4.07Å; E20-M170 VanDerWaalsContact CD-SD 3.53Å; E20-M170 HydrophobicContact CG-CE 4Å; E20-M170 HydrophobicContact CG-SD 3.57Å; E20-M170 VanDerWaalsContact CG-SD 3.57Å; W27-M170 HydrophobicContact CH2-CG 4.44Å; W27-M170 HydrophobicContact CH2-SD 4.31Å; W27-M170 HydrophobicContact CZ2-SD 4.21Å; I52-M170 CarbonylContact O-C 3.6Å; I52-M170 WeakPolarHBondContact O-CA 3.23Å; T153-M170 CarbonylContact C-O 3.55Å; T153-M170 VanDerWaalsContact CA-O 3.27Å; T153-M170 WeakPolarHBondContact CA-O 3.33Å; G154-M170 PolarHBondContact N-O 2.83Å; G154-M170 PolarHBondContact O-N 3.28Å |
| 171 | A | 90.9 | Very high | 82.6 | Confident | 5 Ų | 5 | 40.7 Ų | 40.7 | 4% | 0.041 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 133.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111 | K51 I52 Q152 T153 Y169 V173 | K51-A171 WeakPolarHBondContact CA-O 3.14Å; I52-A171 PolarHBondContact N-O 2.88Å; I52-A171 PolarHBondContact O-N 2.83Å; Q152-A171 CarbonylContact O-C 3.59Å; Q152-A171 WeakPolarHBondContact O-CA 3.47Å; T153-A171 HydrophobicContact CG2-CB 4.1Å; Y169-A171 HydrophobicContact CE1-CB 3.82Å; Y169-A171 HydrophobicContact CE2-CB 4.35Å; Y169-A171 VanDerWaalsContact OH-CB 3.3Å; Y169-A171 WeakPolarHBondContact OH-CB 3.44Å; A171-V173 HydrophobicContact CB-CG2 4.2Å |
| 172 | Q | 87.1 | Confident | 81.6 | Confident | 37 Ų | 37 | 41.5 Ų | 41.5 | 17% | 0.173 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 111.3 | 167.7 | -173.2 | 178.4 | -1.5 | 0 | 0 | 107.3 | L43 V49 K51 L151 Q152 | L43-Q172 VanDerWaalsContact CD1-NE2 3.26Å; V49-Q172 HydrophobicContact CG1-CG 3.62Å; K51-Q172 HydrophobicContact CD-CG 4.41Å; K51-Q172 HydrophobicContact CG-CB 3.85Å; K51-Q172 HydrophobicContact CG-CG 3.69Å; L151-Q172 HydrophobicContact CB-CB 4.31Å; L151-Q172 HydrophobicContact CB-CG 4.07Å; L151-Q172 WeakPolarHBondContact CB-O 3.31Å; L151-Q172 HydrophobicContact CD1-CG 4.09Å; L151-Q172 PolarHBondContact N-O 3.42Å; Q152-Q172 HydrophobicContact CB-CB 4.36Å; Q152-Q172 PolarHBondContact N-O 2.95Å; Q152-Q172 PolarHBondContact O-N 2.78Å |
| 173 | V | 75.1 | Confident | 80.6 | Confident | 60 Ų | 60 | 36.3 Ų | 36.3 | 36% | 0.364 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 139.7 | -175.9 | -174.1 | 0 | 0 | 0 | 0 | 108.6 | H50 A171 P175 | H50-V173 PolarHBondContact N-O 3.37Å; H50-V173 PolarHBondContact O-N 2.91Å; A171-V173 HydrophobicContact CB-CG2 4.2Å; V173-P175 VanDerWaalsContact O-CD 3.24Å; V173-P175 WeakPolarHBondContact O-CD 3.35Å |
| 174 | D | 68.6 | Low | 79.4 | Confident | 21 Ų | 21 | 34.4 Ų | 34.4 | 11% | 0.112 | 18% | 0.178 | C | C | . | . | trans | -100.2 | 97.3 | 167.1 | -177.4 | 10.6 | 0 | 0 | 0 | 108.9 | S48 V49 L151 R176 A241 | S48-D174 PolarHBondContact OG-OD1 3.04Å; V49-D174 HydrophobicContact CG2-CB 4.15Å; L151-D174 HydrophobicContact CD1-CB 4.16Å; L151-D174 HydrophobicContact CG-CB 4.46Å; D174-R176 PolarHBondContact O-N 3.03Å; D174-R176 PolarHBondContact OD1-N 3.34Å; D174-R176 IonicContact OD2-CZ 3.9Å; D174-R176 IonicContact OD2-NE 3.63Å; D174-R176 PolarHBondContact OD2-NE 3.32Å; D174-R176 IonicContact OD2-NH2 2.85Å; D174-R176 PolarHBondContact OD2-NH2 3.4Å; D174-A241 HydrophobicContact CB-CB 4.44Å | ||
| 175 | P | 57.5 | Low | 78 | Confident | 17 Ų | 17 | 37.2 Ų | 37.2 | 11% | 0.11 | 19% | 0.193 | C | C | . | . | trans | -74.6 | 1.5 | 175.5 | 34.3 | -37.1 | 0 | 0 | 0 | 112.9 | S48 V173 G177 S178 L179 | S48-P175 WeakPolarHBondContact O-CD 3.32Å; S48-P175 VanDerWaalsContact O-CG 3.31Å; S48-P175 WeakPolarHBondContact O-CG 3.47Å; V173-P175 VanDerWaalsContact O-CD 3.24Å; V173-P175 WeakPolarHBondContact O-CD 3.35Å; P175-G177 PolarHBondContact O-N 2.93Å; P175-S178 PolarHBondContact O-N 2.93Å; P175-S178 PolarHBondContact O-OG 3.38Å; P175-L179 HydrophobicContact CB-CB 4.22Å; P175-L179 HydrophobicContact CB-CD1 3.78Å; P175-L179 HydrophobicContact CB-CG 4Å | ||
| 176 | R | 60.1 | Low | 76.8 | Confident | 77 Ų | 77 | 40.5 Ų | 40.5 | 29% | 0.291 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 20.1 | 173.3 | -70 | -105.1 | 146.4 | 179.3 | 0.6 | 116 | D174 S178 A241 E242 | D174-R176 PolarHBondContact O-N 3.03Å; D174-R176 PolarHBondContact OD1-N 3.34Å; D174-R176 IonicContact OD2-CZ 3.9Å; D174-R176 IonicContact OD2-NE 3.63Å; D174-R176 PolarHBondContact OD2-NE 3.32Å; D174-R176 IonicContact OD2-NH2 2.85Å; D174-R176 PolarHBondContact OD2-NH2 3.4Å; R176-S178 PolarHBondContact O-N 2.78Å; R176-S178 VanDerWaalsContact O-N 3.13Å; R176-A241 HydrophobicContact CG-CB 3.77Å; R176-A241 VanDerWaalsContact CZ-CB 3.5Å; R176-A241 VanDerWaalsContact NE-C 3.34Å; R176-A241 VanDerWaalsContact NH1-C 3.28Å; R176-A241 PolarHBondContact NH1-O 2.96Å; R176-E242 VanDerWaalsContact CZ-CA 3.44Å; R176-E242 IonicContact CZ-OE1 2.66Å; R176-E242 VanDerWaalsContact NH2-CG 3.34Å; R176-E242 IonicContact NH2-OE1 2.89Å; R176-E242 PolarHBondContact NH2-OE1 3.28Å |
| 177 | G | 53.4 | Low | 75.4 | Confident | 45 Ų | 45 | 41.1 Ų | 41.1 | 46% | 0.464 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | 3.1 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | P175 S250 | P175-G177 PolarHBondContact O-N 2.93Å; G177-S250 WeakPolarHBondContact O-CB 3.34Å |
| 178 | S | 62.5 | Low | 73.8 | Confident | 15 Ų | 15 | 41.6 Ų | 41.6 | 11% | 0.105 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -22.4 | 178.6 | 58 | 0 | 0 | 0 | 0 | 112.7 | P175 R176 I247 E249 S250 | P175-S178 PolarHBondContact O-N 2.93Å; P175-S178 PolarHBondContact O-OG 3.38Å; R176-S178 PolarHBondContact O-N 2.78Å; R176-S178 VanDerWaalsContact O-N 3.13Å; S178-I247 WeakPolarHBondContact CB-O 3.35Å; S178-E249 CarbonylContact O-C 3.54Å; S178-E249 WeakPolarHBondContact O-CA 3.15Å; S178-E249 WeakPolarHBondContact O-CB 3.46Å; S178-E249 PolarHBondContact O-N 3.05Å; S178-S250 PolarHBondContact O-N 3.48Å |
| 179 | L | 70.8 | Confident | 72.5 | Confident | 47 Ų | 47 | 45.3 Ų | 45.3 | 25% | 0.246 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -83.5 | 135.9 | 177.5 | -65 | -177.8 | 0 | 0 | 0 | 111.8 | L109 P175 V183 V184 | L109-L179 HydrophobicContact CD2-CD2 4.38Å; P175-L179 HydrophobicContact CB-CB 4.22Å; P175-L179 HydrophobicContact CB-CD1 3.78Å; P175-L179 HydrophobicContact CB-CG 4Å; L179-V183 HydrophobicContact CB-CB 4.48Å; L179-V183 HydrophobicContact CD1-CG1 4.23Å; L179-V184 HydrophobicContact CB-CG2 4.4Å |
| 180 | P | 71.1 | Confident | 71.6 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.013 | 25% | 0.251 | C | S | . | . | trans | -55 | 145.4 | 169.6 | -24.5 | 30.3 | 0 | 0 | 0 | 112.6 | L109 W182 V183 V184 E249 L252 | L109-P180 HydrophobicContact CD2-CG 4.25Å; P180-W182 HydrophobicContact CB-CD2 4.42Å; P180-W182 HydrophobicContact CB-CG 4.05Å; P180-W182 PolarHBondContact O-N 2.8Å; P180-W182 VanDerWaalsContact O-N 3.13Å; P180-V183 HydrophobicContact CB-CG2 4.07Å; P180-V183 HydrophobicContact CG-CG2 4.04Å; P180-V183 WeakPolarHBondContact O-CB 3.41Å; P180-V183 PolarHBondContact O-N 3.29Å; P180-V184 PolarHBondContact O-N 3.33Å; P180-E249 WeakPolarHBondContact CD-O 3.23Å; P180-E249 VanDerWaalsContact CG-O 3.23Å; P180-E249 WeakPolarHBondContact CG-O 3.36Å; P180-L252 HydrophobicContact CG-CB 4.06Å; P180-L252 WeakPolarHBondContact CG-O 3.49Å | ||
| 181 | K | 70.4 | Confident | 70.9 | Confident | 183 Ų | 183 | 52.3 Ų | 52.3 | 80% | 0.796 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -54.3 | -35.6 | 176.8 | -69.3 | -177.2 | 178.8 | 178.6 | 0 | 112.8 | V183 V184 N185 | K181-V183 VanDerWaalsContact C-N 3.29Å; K181-V183 PolarHBondContact O-N 2.93Å; K181-V184 PolarHBondContact O-N 2.93Å; K181-N185 WeakPolarHBondContact O-CB 3.17Å; K181-N185 VanDerWaalsContact O-CG 3.23Å; K181-N185 PolarHBondContact O-N 3.15Å; K181-N185 PolarHBondContact O-ND2 3.11Å |
| 182 | W | 72.8 | Confident | 70.6 | Confident | 50 Ų | 50 | 52.7 Ų | 52.7 | 19% | 0.189 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.7 | -34.8 | 178.1 | 70.8 | -103 | 0 | 0 | 0 | 112 | P180 N185 K186 L252 E254 | P180-W182 HydrophobicContact CB-CD2 4.42Å; P180-W182 HydrophobicContact CB-CG 4.05Å; P180-W182 PolarHBondContact O-N 2.8Å; P180-W182 VanDerWaalsContact O-N 3.13Å; W182-N185 PolarHBondContact O-N 3.08Å; W182-K186 HydrophobicContact CE3-CD 3.96Å; W182-K186 HydrophobicContact CE3-CG 4.44Å; W182-K186 HydrophobicContact CZ3-CD 4.12Å; W182-K186 WeakPolarHBondContact O-CB 3.47Å; W182-K186 WeakPolarHBondContact O-CG 3.42Å; W182-K186 PolarHBondContact O-N 3.02Å; W182-L252 PolarHBondContact NE1-O 3.43Å; W182-E254 HydrophobicContact CD2-CB 3.92Å; W182-E254 HydrophobicContact CD2-CG 4.17Å; W182-E254 HydrophobicContact CE3-CB 4.38Å; W182-E254 HydrophobicContact CE3-CG 4.11Å; W182-E254 HydrophobicContact CG-CB 4.19Å; W182-E254 HydrophobicContact CH2-CG 4.4Å; W182-E254 HydrophobicContact CZ2-CB 4.3Å; W182-E254 HydrophobicContact CZ2-CG 4.45Å; W182-E254 HydrophobicContact CZ3-CG 4.24Å |
| 183 | V | 73.4 | Confident | 70.7 | Confident | 14 Ų | 14 | 51.1 Ų | 51.1 | 9% | 0.085 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.1 | -48.2 | 176.6 | 179.2 | 0 | 0 | 0 | 0 | 109.7 | L109 L179 P180 K181 N185 K186 S187 | L109-V183 HydrophobicContact CD1-CG2 3.9Å; L179-V183 HydrophobicContact CB-CB 4.48Å; L179-V183 HydrophobicContact CD1-CG1 4.23Å; P180-V183 HydrophobicContact CB-CG2 4.07Å; P180-V183 HydrophobicContact CG-CG2 4.04Å; P180-V183 WeakPolarHBondContact O-CB 3.41Å; P180-V183 PolarHBondContact O-N 3.29Å; K181-V183 VanDerWaalsContact C-N 3.29Å; K181-V183 PolarHBondContact O-N 2.93Å; V183-N185 VanDerWaalsContact C-N 3.31Å; V183-N185 PolarHBondContact O-N 3.42Å; V183-K186 PolarHBondContact O-N 3.33Å; V183-S187 WeakPolarHBondContact O-CB 3.26Å; V183-S187 PolarHBondContact O-N 2.85Å |
| 184 | V | 70.8 | Confident | 71.4 | Confident | 34 Ų | 34 | 52.3 Ų | 52.3 | 21% | 0.206 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58 | -47.1 | 177.6 | -179.6 | 0 | 0 | 0 | 0 | 109.9 | L179 P180 K181 S187 | L179-V184 HydrophobicContact CB-CG2 4.4Å; P180-V184 PolarHBondContact O-N 3.33Å; K181-V184 PolarHBondContact O-N 2.93Å; V184-S187 WeakPolarHBondContact O-CB 3.34Å; V184-S187 PolarHBondContact O-N 3.43Å; V184-S187 PolarHBondContact O-OG 2.57Å |
| 185 | N | 67.6 | Low | 72.4 | Confident | 103 Ų | 103 | 53.6 Ų | 53.6 | 55% | 0.551 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -65.4 | -45 | 178.9 | -67.4 | -15.2 | 0 | 0 | 0 | 112.3 | K181 W182 V183 S187 H189 | K181-N185 WeakPolarHBondContact O-CB 3.17Å; K181-N185 VanDerWaalsContact O-CG 3.23Å; K181-N185 PolarHBondContact O-N 3.15Å; K181-N185 PolarHBondContact O-ND2 3.11Å; W182-N185 PolarHBondContact O-N 3.08Å; V183-N185 VanDerWaalsContact C-N 3.31Å; V183-N185 PolarHBondContact O-N 3.42Å; N185-S187 VanDerWaalsContact C-N 3.27Å; N185-S187 PolarHBondContact O-N 3.39Å; N185-H189 PolarHBondContact O-CD2 2.84Å |
| 186 | K | 74.2 | Confident | 74.2 | Confident | 69 Ų | 69 | 53 Ų | 53 | 30% | 0.3 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66 | -28.7 | 177.4 | -80.9 | -164.8 | -179.2 | -174.6 | 0 | 113.2 | W182 V183 S188 H189 F190 L191 E254 | W182-K186 HydrophobicContact CE3-CD 3.96Å; W182-K186 HydrophobicContact CE3-CG 4.44Å; W182-K186 HydrophobicContact CZ3-CD 4.12Å; W182-K186 WeakPolarHBondContact O-CB 3.47Å; W182-K186 WeakPolarHBondContact O-CG 3.42Å; W182-K186 PolarHBondContact O-N 3.02Å; V183-K186 PolarHBondContact O-N 3.33Å; K186-S188 VanDerWaalsContact C-N 3.29Å; K186-S188 PolarHBondContact O-N 3.15Å; K186-H189 PolarHBondContact O-N 3.45Å; K186-F190 HydrophobicContact CB-CD2 4.34Å; K186-F190 HydrophobicContact CG-CD2 4.12Å; K186-F190 PolarHBondContact O-N 3.09Å; K186-L191 PolarHBondContact O-N 3.33Å; K186-E254 VanDerWaalsContact CE-OE1 3.22Å; K186-E254 WeakPolarHBondContact CE-OE1 3.11Å; K186-E254 WeakPolarHBondContact CE-OE2 3.42Å; K186-E254 IonicContact NZ-OE1 3.45Å; K186-E254 PolarHBondContact NZ-OE1 3.05Å; K186-E254 IonicContact NZ-OE2 3.59Å |
| 187 | S | 68.7 | Low | 75.8 | Confident | 26 Ų | 26 | 53.9 Ų | 53.9 | 18% | 0.182 | 28% | 0.277 | C | S | . | . | I | π-helix | trans | -57.8 | -43.9 | -177.4 | 76 | 0 | 0 | 0 | 0 | 111.9 | I52 V183 V184 N185 L191 A192 | I52-S187 WeakPolarHBondContact CD1-OG 3.49Å; V183-S187 WeakPolarHBondContact O-CB 3.26Å; V183-S187 PolarHBondContact O-N 2.85Å; V184-S187 WeakPolarHBondContact O-CB 3.34Å; V184-S187 PolarHBondContact O-N 3.43Å; V184-S187 PolarHBondContact O-OG 2.57Å; N185-S187 VanDerWaalsContact C-N 3.27Å; N185-S187 PolarHBondContact O-N 3.39Å; S187-L191 PolarHBondContact O-N 2.64Å; S187-A192 PolarHBondContact O-N 3.26Å |
| 188 | S | 64.8 | Low | 77.9 | Confident | 11 Ų | 11 | 54.2 Ų | 54.2 | 8% | 0.077 | 27% | 0.266 | C | S | . | . | I | π-helix | trans | -74.9 | -33.7 | 179.7 | -55.2 | 0 | 0 | 0 | 0 | 113.5 | V38 T40 K186 | V38-S188 WeakPolarHBondContact CG1-O 3.35Å; V38-S188 WeakPolarHBondContact CG2-O 3.48Å; T40-S188 VanDerWaalsContact CG2-OG 3.3Å; T40-S188 WeakPolarHBondContact CG2-OG 3.41Å; K186-S188 VanDerWaalsContact C-N 3.29Å; K186-S188 PolarHBondContact O-N 3.15Å |
| 189 | H | 69.9 | Low | 79.5 | Confident | 77 Ų | 77 | 53.7 Ų | 53.7 | 36% | 0.356 | 26% | 0.262 | S | S | . | . | I | π-helix | trans | -92 | -27.6 | -175.5 | -72.5 | -78.9 | 0 | 0 | 0 | 114.4 | T30 N185 K186 | T30-H189 PolarHBondContact O-CE1 2.75Å; T30-H189 PolarHBondContact O-ND1 2.81Å; N185-H189 PolarHBondContact O-CD2 2.84Å; K186-H189 PolarHBondContact O-N 3.45Å |
| 190 | F | 78 | Confident | 80.7 | Confident | 133 Ų | 133 | 52.5 Ų | 52.5 | 58% | 0.583 | 26% | 0.258 | S | S | * | . | I | π-helix | trans | -131.2 | -52.1 | -169 | -61.8 | -77 | 0 | 0 | 0 | 113.4 | K186 R194 | K186-F190 HydrophobicContact CB-CD2 4.34Å; K186-F190 HydrophobicContact CG-CD2 4.12Å; K186-F190 PolarHBondContact O-N 3.09Å; F190-R194 WeakPolarHBondContact O-CB 3.36Å; F190-R194 PolarHBondContact O-N 2.85Å |
| 191 | L | 80.4 | Confident | 82 | Confident | 73 Ų | 73 | 58 Ų | 58 | 38% | 0.382 | 28% | 0.281 | S | S | . | . | I | π-helix | trans | -68.2 | -49.6 | -169.5 | -58.6 | 177.8 | 0 | 0 | 0 | 111.9 | K186 S187 R194 A195 | K186-L191 PolarHBondContact O-N 3.33Å; S187-L191 PolarHBondContact O-N 2.64Å; L191-R194 PolarHBondContact O-N 3.02Å; L191-A195 WeakPolarHBondContact O-CB 3.49Å; L191-A195 PolarHBondContact O-N 2.81Å |
| 192 | A | 85.1 | Confident | 83.3 | Confident | 13 Ų | 13 | 49.6 Ų | 49.6 | 11% | 0.107 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.3 | -48.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | C54 S187 R194 A195 M196 | C54-A192 HydrophobicContact CB-CB 4.31Å; S187-A192 PolarHBondContact O-N 3.26Å; A192-R194 PolarHBondContact O-N 2.8Å; A192-A195 PolarHBondContact O-N 2.73Å; A192-M196 WeakPolarHBondContact O-CG 3.2Å; A192-M196 PolarHBondContact O-N 2.88Å |
| 193 | P | 89.2 | Confident | 84.5 | Confident | 4 Ų | 4 | 47.4 Ų | 47.4 | 3% | 0.026 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.7 | -42.2 | 172.8 | -28.5 | 36.6 | 0 | 0 | 0 | 114.2 | Y31 I36 V38 M196 K197 | Y31-P193 HydrophobicContact CD1-CG 4.09Å; Y31-P193 HydrophobicContact CE1-CB 4.28Å; Y31-P193 HydrophobicContact CE1-CG 4.02Å; I36-P193 HydrophobicContact CD1-CB 4.21Å; I36-P193 HydrophobicContact CG2-CB 4.07Å; I36-P193 HydrophobicContact CG2-CG 4.2Å; V38-P193 HydrophobicContact CG2-CG 3.7Å; P193-M196 PolarHBondContact O-N 3.22Å; P193-K197 WeakPolarHBondContact O-CG 3.38Å; P193-K197 PolarHBondContact O-N 2.8Å |
| 194 | R | 90.6 | Very high | 85.7 | Confident | 85 Ų | 85 | 51.8 Ų | 51.8 | 32% | 0.321 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.1 | -42.6 | 180 | -171.1 | 177.9 | -176.2 | -176.6 | 3.3 | 111.2 | F190 L191 A192 K197 K198 E259 D260 | F190-R194 WeakPolarHBondContact O-CB 3.36Å; F190-R194 PolarHBondContact O-N 2.85Å; L191-R194 PolarHBondContact O-N 3.02Å; A192-R194 PolarHBondContact O-N 2.8Å; R194-K197 PolarHBondContact O-N 3.03Å; R194-K198 WeakPolarHBondContact O-CG 3.31Å; R194-K198 PolarHBondContact O-N 2.89Å; R194-E259 IonicContact NH1-OE2 3.54Å; R194-E259 PolarHBondContact NH1-OE2 3.27Å; R194-D260 PolarHBondContact NH2-O 3.13Å |
| 195 | A | 90.3 | Very high | 87 | Confident | 48 Ų | 48 | 57.1 Ų | 57.1 | 40% | 0.397 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.1 | -46.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L191 A192 K197 K198 I199 | L191-A195 WeakPolarHBondContact O-CB 3.49Å; L191-A195 PolarHBondContact O-N 2.81Å; A192-A195 PolarHBondContact O-N 2.73Å; A195-K197 PolarHBondContact O-N 2.86Å; A195-K198 WeakPolarHBondContact O-CB 3.45Å; A195-K198 PolarHBondContact O-N 2.79Å; A195-K198 VanDerWaalsContact O-N 3.15Å; A195-I199 WeakPolarHBondContact O-CG1 3.49Å; A195-I199 PolarHBondContact O-N 2.87Å |
| 196 | M | 93.7 | Very high | 88.5 | Confident | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.02 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.9 | -45.4 | 177.4 | -65.7 | -77.9 | -78.6 | 0 | 0 | 111.4 | C54 M56 L167 Y169 A192 P193 K198 I199 S200 | C54-M196 HydrophobicContact CB-CG 4.46Å; C54-M196 WeakPolarHBondContact O-CE 3.18Å; M56-M196 HydrophobicContact CB-CE 3.89Å; M56-M196 HydrophobicContact CE-CB 4.02Å; M56-M196 VanDerWaalsContact CE-O 3.24Å; M56-M196 WeakPolarHBondContact CE-O 3.49Å; M56-M196 HydrophobicContact SD-CB 3.91Å; L167-M196 HydrophobicContact CB-CE 3.9Å; L167-M196 HydrophobicContact CD2-CE 3.52Å; L167-M196 HydrophobicContact CD2-SD 3.52Å; L167-M196 VanDerWaalsContact CD2-SD 3.52Å; L167-M196 HydrophobicContact CG-CE 3.55Å; L167-M196 HydrophobicContact CG-SD 4.09Å; L167-M196 VanDerWaalsContact O-CE 3.3Å; L167-M196 WeakPolarHBondContact O-CE 3.4Å; Y169-M196 VanDerWaalsContact CB-SD 3.52Å; Y169-M196 HydrophobicContact CG-SD 4.41Å; A192-M196 WeakPolarHBondContact O-CG 3.2Å; A192-M196 PolarHBondContact O-N 2.88Å; P193-M196 PolarHBondContact O-N 3.22Å; M196-K198 VanDerWaalsContact C-N 3.34Å; M196-K198 PolarHBondContact O-N 3.3Å; M196-I199 WeakPolarHBondContact O-CB 3.48Å; M196-I199 PolarHBondContact O-N 3.13Å; M196-S200 PolarHBondContact O-N 2.86Å |
| 197 | K | 95.1 | Very high | 89.6 | Confident | 95 Ų | 95 | 52.5 Ų | 52.5 | 41% | 0.413 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.1 | -40.7 | 174.7 | -72.3 | -179.2 | -173.5 | -177.3 | 0 | 112.7 | I36 M56 P193 R194 A195 S200 K201 | I36-K197 HydrophobicContact CD1-CD 4.04Å; I36-K197 HydrophobicContact CD1-CG 3.67Å; M56-K197 HydrophobicContact SD-CG 4.2Å; P193-K197 WeakPolarHBondContact O-CG 3.38Å; P193-K197 PolarHBondContact O-N 2.8Å; R194-K197 PolarHBondContact O-N 3.03Å; A195-K197 PolarHBondContact O-N 2.86Å; K197-S200 PolarHBondContact O-N 3.27Å; K197-K201 WeakPolarHBondContact O-CB 3.3Å; K197-K201 WeakPolarHBondContact O-CG 3.44Å; K197-K201 PolarHBondContact O-N 3.06Å |
| 198 | K | 95.8 | Very high | 91 | Very high | 52 Ų | 52 | 56.8 Ų | 56.8 | 23% | 0.226 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 175.6 | -76.2 | -173.3 | 174.4 | -171.1 | 0 | 111.2 | W79 S81 R194 A195 M196 K201 A202 | W79-K198 HydrophobicContact CE3-CB 4.35Å; W79-K198 HydrophobicContact CZ3-CB 4.16Å; S81-K198 PolarHBondContact OG-NZ 3.45Å; S81-K198 VanDerWaalsContact OG-NZ 3.14Å; R194-K198 WeakPolarHBondContact O-CG 3.31Å; R194-K198 PolarHBondContact O-N 2.89Å; A195-K198 WeakPolarHBondContact O-CB 3.45Å; A195-K198 PolarHBondContact O-N 2.79Å; A195-K198 VanDerWaalsContact O-N 3.15Å; M196-K198 VanDerWaalsContact C-N 3.34Å; M196-K198 PolarHBondContact O-N 3.3Å; K198-K201 PolarHBondContact O-N 3.3Å; K198-A202 WeakPolarHBondContact O-CB 3.2Å; K198-A202 PolarHBondContact O-N 3.49Å |
| 199 | I | 97 | Very high | 92.6 | Very high | 5 Ų | 5 | 57.7 Ų | 57.7 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.3 | -49.9 | 174.7 | -66.3 | 162.1 | 0 | 0 | 0 | 110.6 | M66 V69 L70 W79 Y155 L167 A195 M196 K201 A202 C203 | M66-I199 HydrophobicContact CE-CG2 4.29Å; M66-I199 HydrophobicContact SD-CG2 3.48Å; M66-I199 WeakPolarHBondContact SD-CG2 3.31Å; V69-I199 HydrophobicContact CG1-CG2 4.44Å; L70-I199 HydrophobicContact CD2-CD1 4.25Å; L70-I199 HydrophobicContact CD2-CG2 4.12Å; W79-I199 HydrophobicContact CH2-CB 4.29Å; W79-I199 HydrophobicContact CH2-CD1 4.3Å; W79-I199 HydrophobicContact CH2-CG1 3.27Å; W79-I199 HydrophobicContact CZ2-CG1 3.96Å; W79-I199 HydrophobicContact CZ3-CG1 3.85Å; Y155-I199 HydrophobicContact CE1-CD1 4.17Å; L167-I199 HydrophobicContact CD2-CG2 4.28Å; A195-I199 WeakPolarHBondContact O-CG1 3.49Å; A195-I199 PolarHBondContact O-N 2.87Å; M196-I199 WeakPolarHBondContact O-CB 3.48Å; M196-I199 PolarHBondContact O-N 3.13Å; I199-K201 PolarHBondContact O-N 3.35Å; I199-A202 WeakPolarHBondContact O-CB 3.33Å; I199-A202 PolarHBondContact O-N 2.99Å; I199-A202 VanDerWaalsContact O-N 3.1Å; I199-C203 PolarHBondContact O-N 3.22Å; I199-C203 PolarHBondContact O-SG 3.31Å |
| 200 | S | 97 | Very high | 93.9 | Very high | 22 Ų | 22 | 54.4 Ų | 54.4 | 15% | 0.154 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.4 | -41.8 | 179.3 | 167.3 | 0 | 0 | 0 | 0 | 112.5 | M196 K197 A202 C203 L204 | M196-S200 PolarHBondContact O-N 2.86Å; K197-S200 PolarHBondContact O-N 3.27Å; S200-A202 VanDerWaalsContact C-N 3.3Å; S200-A202 PolarHBondContact O-N 3.49Å; S200-C203 WeakPolarHBondContact O-CB 3.45Å; S200-C203 PolarHBondContact O-N 3.37Å; S200-L204 PolarHBondContact O-N 2.8Å |
| 201 | K | 97.3 | Very high | 94.9 | Very high | 117 Ų | 117 | 54.7 Ų | 54.7 | 51% | 0.509 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.8 | -38.2 | 172.6 | -76.1 | -177.2 | 177.6 | -174.5 | 0 | 112.1 | K197 K198 I199 C203 L204 D262 | K197-K201 WeakPolarHBondContact O-CB 3.3Å; K197-K201 WeakPolarHBondContact O-CG 3.44Å; K197-K201 PolarHBondContact O-N 3.06Å; K198-K201 PolarHBondContact O-N 3.3Å; I199-K201 PolarHBondContact O-N 3.35Å; K201-C203 VanDerWaalsContact C-N 3.32Å; K201-L204 PolarHBondContact O-N 3.26Å; K201-D262 PolarHBondContact NZ-OXT 2.62Å |
| 202 | A | 98.3 | Very high | 95.7 | Very high | 6 Ų | 6 | 59.6 Ų | 59.6 | 5% | 0.05 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.5 | -37.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V69 Y75 W79 K198 I199 S200 L204 K205 Y206 | V69-A202 HydrophobicContact CG1-CB 4.2Å; Y75-A202 HydrophobicContact CE1-CB 3.93Å; Y75-A202 PolarHBondContact OH-O 2.88Å; W79-A202 HydrophobicContact CB-CB 3.74Å; W79-A202 HydrophobicContact CD2-CB 3.66Å; W79-A202 HydrophobicContact CE3-CB 4.21Å; W79-A202 HydrophobicContact CG-CB 3.44Å; W79-A202 VanDerWaalsContact CG-CB 3.44Å; K198-A202 WeakPolarHBondContact O-CB 3.2Å; K198-A202 PolarHBondContact O-N 3.49Å; I199-A202 WeakPolarHBondContact O-CB 3.33Å; I199-A202 PolarHBondContact O-N 2.99Å; I199-A202 VanDerWaalsContact O-N 3.1Å; S200-A202 VanDerWaalsContact C-N 3.3Å; S200-A202 PolarHBondContact O-N 3.49Å; A202-L204 VanDerWaalsContact C-N 3.29Å; A202-L204 PolarHBondContact O-N 3.36Å; A202-K205 PolarHBondContact O-N 2.77Å; A202-Y206 PolarHBondContact O-N 3.02Å; A202-Y206 VanDerWaalsContact O-N 3.09Å |
| 203 | C | 98.4 | Very high | 96.3 | Very high | 5 Ų | 5 | 62.2 Ų | 62.2 | 3% | 0.034 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.4 | -40.7 | 175.6 | -60.9 | 0 | 0 | 0 | 0 | 113.1 | V61 T65 M66 V69 I199 S200 K201 K205 Y206 | V61-C203 HydrophobicContact CB-CB 4.26Å; V61-C203 HydrophobicContact CG1-CB 3.49Å; V61-C203 VanDerWaalsContact CG1-CB 3.49Å; V61-C203 HydrophobicContact CG2-CB 3.68Å; T65-C203 HydrophobicContact CG2-CB 4.03Å; T65-C203 WeakPolarHBondContact CG2-O 3.49Å; M66-C203 VanDerWaalsContact SD-SG 3.68Å; V69-C203 HydrophobicContact CG2-CB 4.39Å; I199-C203 PolarHBondContact O-N 3.22Å; I199-C203 PolarHBondContact O-SG 3.31Å; S200-C203 WeakPolarHBondContact O-CB 3.45Å; S200-C203 PolarHBondContact O-N 3.37Å; K201-C203 VanDerWaalsContact C-N 3.32Å; C203-K205 PolarHBondContact O-N 3.21Å; C203-K205 VanDerWaalsContact O-N 3.17Å; C203-Y206 PolarHBondContact O-N 2.84Å; C203-Y206 VanDerWaalsContact O-N 3.16Å |
| 204 | L | 98 | Very high | 96.7 | Very high | 106 Ų | 106 | 64 Ų | 64 | 56% | 0.555 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -63 | -23.1 | 179.3 | -59.1 | 177.2 | 0 | 0 | 0 | 113.3 | D60 V61 S200 K201 A202 | D60-L204 HydrophobicContact CB-CD2 4.23Å; D60-L204 WeakPolarHBondContact O-CD2 3.28Å; V61-L204 HydrophobicContact CG2-CD2 3.82Å; V61-L204 HydrophobicContact CG2-CG 4.39Å; S200-L204 PolarHBondContact O-N 2.8Å; K201-L204 PolarHBondContact O-N 3.26Å; A202-L204 VanDerWaalsContact C-N 3.29Å; A202-L204 PolarHBondContact O-N 3.36Å |
| 205 | K | 98.1 | Very high | 97 | Very high | 145 Ų | 145 | 62 Ų | 62 | 63% | 0.63 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -104.9 | -3.3 | -179.5 | -62 | -176.3 | -179.5 | -176.6 | 0 | 113 | Y75 A202 C203 W209 | Y75-K205 WeakPolarHBondContact OH-CB 3.37Å; A202-K205 PolarHBondContact O-N 2.77Å; C203-K205 PolarHBondContact O-N 3.21Å; C203-K205 VanDerWaalsContact O-N 3.17Å; K205-W209 WeakPolarHBondContact O-CB 3.41Å; K205-W209 PolarHBondContact O-N 2.95Å |
| 206 | Y | 98.5 | Very high | 97.3 | Very high | 6 Ų | 6 | 66 Ų | 66 | 2% | 0.024 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -69.2 | -45.3 | -169.9 | -178 | -114 | 0 | 0 | 0 | 112.4 | T65 D68 V69 D72 Y75 A202 C203 E208 W209 K210 | T65-Y206 HydrophobicContact CG2-CD1 4.24Å; D68-Y206 HydrophobicContact CB-CD1 4.08Å; D68-Y206 HydrophobicContact CB-CE1 3.33Å; V69-Y206 HydrophobicContact CG2-CD1 3.99Å; V69-Y206 HydrophobicContact CG2-CD2 3.75Å; V69-Y206 HydrophobicContact CG2-CE2 4.44Å; V69-Y206 HydrophobicContact CG2-CG 3.46Å; V69-Y206 VanDerWaalsContact CG2-CG 3.46Å; D72-Y206 HydrophobicContact CB-CE2 4.03Å; D72-Y206 WeakPolarHBondContact OD2-CE2 3.28Å; D72-Y206 PolarHBondContact OD2-OH 2.82Å; Y75-Y206 AromaticContact CD1-CD2 3.33Å; Y75-Y206 HydrophobicContact CD1-CD2 3.33Å; Y75-Y206 AromaticContact CD1-CE2 3.85Å; Y75-Y206 HydrophobicContact CD1-CE2 3.85Å; Y75-Y206 HydrophobicContact CD1-CG 4.37Å; Y75-Y206 HydrophobicContact CD2-CD2 4.28Å; Y75-Y206 AromaticContact CE1-CD2 3.54Å; Y75-Y206 HydrophobicContact CE1-CD2 3.54Å; Y75-Y206 HydrophobicContact CE1-CE2 4.48Å; Y75-Y206 HydrophobicContact CE1-CG 4.24Å; Y75-Y206 HydrophobicContact CE2-CD2 4.44Å; Y75-Y206 AromaticContact CG-CD2 3.73Å; Y75-Y206 HydrophobicContact CG-CD2 3.73Å; Y75-Y206 AromaticContact CG-CE2 3.93Å; Y75-Y206 HydrophobicContact CG-CE2 3.93Å; A202-Y206 PolarHBondContact O-N 3.02Å; A202-Y206 VanDerWaalsContact O-N 3.09Å; C203-Y206 PolarHBondContact O-N 2.84Å; C203-Y206 VanDerWaalsContact O-N 3.16Å; Y206-E208 PolarHBondContact O-N 2.93Å; Y206-W209 HydrophobicContact CD2-CE3 4.21Å; Y206-W209 HydrophobicContact CE2-CE3 4.01Å; Y206-W209 HydrophobicContact CE2-CZ3 4.11Å; Y206-W209 PolarHBondContact O-N 3.27Å; Y206-K210 HydrophobicContact CD1-CB 4.5Å; Y206-K210 HydrophobicContact CD2-CB 4.47Å; Y206-K210 HydrophobicContact CE1-CB 4.1Å; Y206-K210 HydrophobicContact CE1-CG 4.12Å; Y206-K210 HydrophobicContact CE2-CB 4.12Å; Y206-K210 HydrophobicContact CE2-CD 4.3Å; Y206-K210 HydrophobicContact CE2-CG 4.38Å; Y206-K210 VanDerWaalsContact O-CB 3.29Å; Y206-K210 WeakPolarHBondContact O-CB 3.4Å; Y206-K210 PolarHBondContact O-N 3.17Å; Y206-K210 WeakPolarHBondContact OH-CD 3.43Å |
| 207 | A | 97.5 | Very high | 97.5 | Very high | 69 Ų | 69 | 70.3 Ų | 70.3 | 57% | 0.57 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -58.6 | -48.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112 | W209 K210 Q211 | A207-W209 PolarHBondContact O-N 3.24Å; A207-K210 PolarHBondContact O-N 3.19Å; A207-Q211 VanDerWaalsContact O-CG 3.29Å; A207-Q211 WeakPolarHBondContact O-CG 3.5Å; A207-Q211 PolarHBondContact O-N 3.23Å; A207-Q211 VanDerWaalsContact O-N 3.15Å |
| 208 | E | 97.9 | Very high | 97.6 | Very high | 116 Ų | 116 | 67.9 Ų | 67.9 | 54% | 0.542 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.8 | -43.8 | 177.1 | -170.3 | -164.3 | 158.8 | 0 | 0 | 111.6 | Y206 R212 | Y206-E208 PolarHBondContact O-N 2.93Å; E208-R212 IonicContact OE1-CZ 3.25Å; E208-R212 VanDerWaalsContact OE1-CZ 3.25Å; E208-R212 IonicContact OE1-NH1 3.01Å; E208-R212 PolarHBondContact OE1-NH1 3.04Å; E208-R212 IonicContact OE1-NH2 2.75Å; E208-R212 PolarHBondContact OE1-NH2 2.67Å |
| 209 | W | 98.5 | Very high | 97.7 | Very high | 30 Ų | 30 | 66.6 Ų | 66.6 | 11% | 0.114 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.3 | -49.7 | 178.6 | 179.9 | 87.2 | 0 | 0 | 0 | 111.3 | E74 Y75 K205 Y206 A207 Q211 R212 H213 | E74-W209 HydrophobicContact CB-CH2 4.09Å; E74-W209 HydrophobicContact CG-CH2 3.89Å; E74-W209 HydrophobicContact CG-CZ2 4.06Å; Y75-W209 HydrophobicContact CD2-CB 4.27Å; Y75-W209 AromaticContact CD2-CD2 3.17Å; Y75-W209 HydrophobicContact CD2-CD2 3.17Å; Y75-W209 AromaticContact CD2-CE2 3.54Å; Y75-W209 AromaticContact CD2-CE3 3.31Å; Y75-W209 HydrophobicContact CD2-CE3 3.31Å; Y75-W209 AromaticContact CD2-CG 3.6Å; Y75-W209 HydrophobicContact CD2-CG 3.6Å; Y75-W209 HydrophobicContact CD2-CH2 4.15Å; Y75-W209 HydrophobicContact CD2-CZ2 4.03Å; Y75-W209 AromaticContact CD2-CZ3 3.81Å; Y75-W209 HydrophobicContact CD2-CZ3 3.81Å; Y75-W209 HydrophobicContact CE2-CB 3.68Å; Y75-W209 AromaticContact CE2-CD1 3.88Å; Y75-W209 AromaticContact CE2-CD2 3.53Å; Y75-W209 HydrophobicContact CE2-CD2 3.53Å; Y75-W209 AromaticContact CE2-CE3 3.93Å; Y75-W209 HydrophobicContact CE2-CE3 3.93Å; Y75-W209 AromaticContact CE2-CG 3.38Å; Y75-W209 HydrophobicContact CE2-CG 3.38Å; Y75-W209 HydrophobicContact CG-CD2 4.16Å; Y75-W209 AromaticContact CG-CE3 3.84Å; Y75-W209 HydrophobicContact CG-CE3 3.84Å; Y75-W209 HydrophobicContact CG-CH2 4.47Å; Y75-W209 HydrophobicContact CG-CZ3 4.02Å; K205-W209 WeakPolarHBondContact O-CB 3.41Å; K205-W209 PolarHBondContact O-N 2.95Å; Y206-W209 HydrophobicContact CD2-CE3 4.21Å; Y206-W209 HydrophobicContact CE2-CE3 4.01Å; Y206-W209 HydrophobicContact CE2-CZ3 4.11Å; Y206-W209 PolarHBondContact O-N 3.27Å; A207-W209 PolarHBondContact O-N 3.24Å; W209-Q211 VanDerWaalsContact C-N 3.27Å; W209-Q211 PolarHBondContact O-N 3.15Å; W209-R212 PolarHBondContact O-N 2.85Å; W209-H213 AromaticContact CD1-CE1 3.49Å; W209-H213 VanDerWaalsContact CD1-CE1 3.49Å; W209-H213 AromaticContact CD1-ND1 3.7Å; W209-H213 HydrophobicContact CD2-CB 4.33Å; W209-H213 AromaticContact CD2-ND1 3.68Å; W209-H213 AromaticContact CE2-CD2 3.71Å; W209-H213 AromaticContact CE2-CE1 3.65Å; W209-H213 AromaticContact CE2-CG 3.49Å; W209-H213 VanDerWaalsContact CE2-CG 3.49Å; W209-H213 AromaticContact CE2-ND1 3.42Å; W209-H213 AromaticContact CE2-NE2 3.81Å; W209-H213 HydrophobicContact CE3-CB 4.27Å; W209-H213 AromaticContact CG-ND1 3.87Å; W209-H213 HydrophobicContact CH2-CB 3.65Å; W209-H213 AromaticContact CH2-CG 3.94Å; W209-H213 HydrophobicContact CZ2-CB 3.72Å; W209-H213 AromaticContact CZ2-CD2 3.53Å; W209-H213 AromaticContact CZ2-CG 3.46Å; W209-H213 VanDerWaalsContact CZ2-CG 3.46Å; W209-H213 AromaticContact CZ2-ND1 3.92Å; W209-H213 HydrophobicContact CZ3-CB 3.94Å; W209-H213 AromaticContact NE1-CD2 3.81Å; W209-H213 AromaticContact NE1-CE1 3.16Å; W209-H213 PolarHBondContact NE1-CE1 2.64Å; W209-H213 AromaticContact NE1-CG 3.83Å; W209-H213 AromaticContact NE1-ND1 3.42Å; W209-H213 PolarHBondContact NE1-ND1 3.29Å; W209-H213 AromaticContact NE1-NE2 3.39Å; W209-H213 PolarHBondContact NE1-NE2 3.32Å; W209-H213 PolarHBondContact O-N 2.62Å; W209-H213 PolarHBondContact O-ND1 2.74Å |
| 210 | K | 98.4 | Very high | 97.8 | Very high | 8 Ų | 8 | 67.6 Ų | 67.6 | 4% | 0.035 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.7 | -31.7 | -174 | -169.9 | 56.2 | 173.6 | -176.1 | 0 | 112.3 | D72 Y206 A207 R212 H213 G214 P215 F217 | D72-K210 IonicContact OD2-NZ 2.98Å; D72-K210 PolarHBondContact OD2-NZ 2.88Å; Y206-K210 HydrophobicContact CD1-CB 4.5Å; Y206-K210 HydrophobicContact CD2-CB 4.47Å; Y206-K210 HydrophobicContact CE1-CB 4.1Å; Y206-K210 HydrophobicContact CE1-CG 4.12Å; Y206-K210 HydrophobicContact CE2-CB 4.12Å; Y206-K210 HydrophobicContact CE2-CD 4.3Å; Y206-K210 HydrophobicContact CE2-CG 4.38Å; Y206-K210 VanDerWaalsContact O-CB 3.29Å; Y206-K210 WeakPolarHBondContact O-CB 3.4Å; Y206-K210 PolarHBondContact O-N 3.17Å; Y206-K210 WeakPolarHBondContact OH-CD 3.43Å; A207-K210 PolarHBondContact O-N 3.19Å; K210-R212 PolarHBondContact O-N 3.36Å; K210-R212 VanDerWaalsContact O-N 3.16Å; K210-H213 PolarHBondContact NZ-O 3.27Å; K210-H213 CarbonylContact O-C 3.5Å; K210-H213 PolarHBondContact O-N 3.42Å; K210-G214 VanDerWaalsContact CE-O 3.31Å; K210-G214 WeakPolarHBondContact CE-O 3.39Å; K210-P215 WeakPolarHBondContact O-CA 3.33Å; K210-F217 VanDerWaalsContact CE-O 3.27Å; K210-F217 WeakPolarHBondContact CE-O 3.45Å; K210-F217 PolarHBondContact NZ-O 2.94Å |
| 211 | Q | 97.9 | Very high | 97.8 | Very high | 139 Ų | 139 | 70 Ų | 70 | 65% | 0.65 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -57.2 | -27.9 | 171.9 | -74 | -64.7 | -2 | 0 | 0 | 113.7 | A207 W209 | A207-Q211 VanDerWaalsContact O-CG 3.29Å; A207-Q211 WeakPolarHBondContact O-CG 3.5Å; A207-Q211 PolarHBondContact O-N 3.23Å; A207-Q211 VanDerWaalsContact O-N 3.15Å; W209-Q211 VanDerWaalsContact C-N 3.27Å; W209-Q211 PolarHBondContact O-N 3.15Å |
| 212 | R | 97.9 | Very high | 97.8 | Very high | 176 Ų | 176 | 69.9 Ų | 69.9 | 66% | 0.664 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -4.5 | 179 | -58 | -179.9 | -174.4 | 142 | 10.1 | 113.5 | E208 W209 K210 | E208-R212 IonicContact OE1-CZ 3.25Å; E208-R212 VanDerWaalsContact OE1-CZ 3.25Å; E208-R212 IonicContact OE1-NH1 3.01Å; E208-R212 PolarHBondContact OE1-NH1 3.04Å; E208-R212 IonicContact OE1-NH2 2.75Å; E208-R212 PolarHBondContact OE1-NH2 2.67Å; W209-R212 PolarHBondContact O-N 2.85Å; K210-R212 PolarHBondContact O-N 3.36Å; K210-R212 VanDerWaalsContact O-N 3.16Å |
| 213 | H | 97.7 | Very high | 97.7 | Very high | 69 Ų | 69 | 71.8 Ų | 71.8 | 32% | 0.319 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -135.2 | 62.5 | -170.9 | -58.8 | 78 | 0 | 0 | 0 | 110.9 | E74 W209 K210 | E74-H213 IonicContact OE1-CD2 3.52Å; W209-H213 AromaticContact CD1-CE1 3.49Å; W209-H213 VanDerWaalsContact CD1-CE1 3.49Å; W209-H213 AromaticContact CD1-ND1 3.7Å; W209-H213 HydrophobicContact CD2-CB 4.33Å; W209-H213 AromaticContact CD2-ND1 3.68Å; W209-H213 AromaticContact CE2-CD2 3.71Å; W209-H213 AromaticContact CE2-CE1 3.65Å; W209-H213 AromaticContact CE2-CG 3.49Å; W209-H213 VanDerWaalsContact CE2-CG 3.49Å; W209-H213 AromaticContact CE2-ND1 3.42Å; W209-H213 AromaticContact CE2-NE2 3.81Å; W209-H213 HydrophobicContact CE3-CB 4.27Å; W209-H213 AromaticContact CG-ND1 3.87Å; W209-H213 HydrophobicContact CH2-CB 3.65Å; W209-H213 AromaticContact CH2-CG 3.94Å; W209-H213 HydrophobicContact CZ2-CB 3.72Å; W209-H213 AromaticContact CZ2-CD2 3.53Å; W209-H213 AromaticContact CZ2-CG 3.46Å; W209-H213 VanDerWaalsContact CZ2-CG 3.46Å; W209-H213 AromaticContact CZ2-ND1 3.92Å; W209-H213 HydrophobicContact CZ3-CB 3.94Å; W209-H213 AromaticContact NE1-CD2 3.81Å; W209-H213 AromaticContact NE1-CE1 3.16Å; W209-H213 PolarHBondContact NE1-CE1 2.64Å; W209-H213 AromaticContact NE1-CG 3.83Å; W209-H213 AromaticContact NE1-ND1 3.42Å; W209-H213 PolarHBondContact NE1-ND1 3.29Å; W209-H213 AromaticContact NE1-NE2 3.39Å; W209-H213 PolarHBondContact NE1-NE2 3.32Å; W209-H213 PolarHBondContact O-N 2.62Å; W209-H213 PolarHBondContact O-ND1 2.74Å; K210-H213 PolarHBondContact NZ-O 3.27Å; K210-H213 CarbonylContact O-C 3.5Å; K210-H213 PolarHBondContact O-N 3.42Å |
| 214 | G | 96.3 | Very high | 97.6 | Very high | 40 Ų | 40 | 78.5 Ų | 78.5 | 41% | 0.412 | 39% | 0.389 | S | S | . | . | trans | 62.6 | 69.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | K210 N216 F217 | K210-G214 VanDerWaalsContact CE-O 3.31Å; K210-G214 WeakPolarHBondContact CE-O 3.39Å; G214-N216 PolarHBondContact O-N 2.88Å; G214-N216 VanDerWaalsContact O-N 3.1Å; G214-F217 PolarHBondContact O-N 3.36Å | ||
| 215 | P | 96.9 | Very high | 97.6 | Very high | 43 Ų | 43 | 76.1 Ų | 76.1 | 28% | 0.279 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -34.3 | -173.7 | 15 | -28.1 | 0 | 0 | 0 | 114.5 | K210 | K210-P215 WeakPolarHBondContact O-CA 3.33Š|
| 216 | N | 97.2 | Very high | 97.5 | Very high | 132 Ų | 132 | 71 Ų | 71 | 71% | 0.706 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -7.7 | -178 | -59.4 | -27.9 | 0 | 0 | 0 | 113.1 | G214 K218 Q225 | G214-N216 PolarHBondContact O-N 2.88Å; G214-N216 VanDerWaalsContact O-N 3.1Å; N216-K218 PolarHBondContact O-N 3.43Å; N216-Q225 PolarHBondContact O-NE2 3.33Å; N216-Q225 PolarHBondContact O-OE1 3.11Å |
| 217 | F | 97.8 | Very high | 97.3 | Very high | 95 Ų | 95 | 76.9 Ų | 76.9 | 42% | 0.417 | 39% | 0.393 | S | S | . | . | trans | -88.3 | 95.9 | 179.2 | -172.4 | -107.7 | 0 | 0 | 0 | 110 | K210 G214 P219 Q225 | K210-F217 VanDerWaalsContact CE-O 3.27Å; K210-F217 WeakPolarHBondContact CE-O 3.45Å; K210-F217 PolarHBondContact NZ-O 2.94Å; G214-F217 PolarHBondContact O-N 3.36Å; F217-P219 HydrophobicContact CE1-CG 4.04Å; F217-P219 HydrophobicContact CE2-CG 4.47Å; F217-P219 HydrophobicContact CZ-CG 3.95Å; F217-Q225 HydrophobicContact CD2-CB 4.24Å; F217-Q225 HydrophobicContact CE2-CB 4.08Å; F217-Q225 WeakPolarHBondContact CE2-O 3.17Å | ||
| 218 | K | 98.1 | Very high | 97.3 | Very high | 44 Ų | 44 | 75.7 Ų | 75.7 | 19% | 0.191 | 38% | 0.377 | C | S | . | . | trans | -138.7 | 71.3 | -179.5 | -62.7 | -172.3 | -179.6 | -172.5 | 0 | 109.2 | D68 N216 W220 L221 Y222 | D68-K218 IonicContact OD1-NZ 3.99Å; D68-K218 IonicContact OD2-NZ 2.68Å; D68-K218 PolarHBondContact OD2-NZ 3.32Å; N216-K218 PolarHBondContact O-N 3.43Å; K218-W220 HydrophobicContact CB-CD2 4.44Å; K218-W220 HydrophobicContact CB-CZ2 3.94Å; K218-W220 HydrophobicContact CD-CZ2 4.41Å; K218-W220 HydrophobicContact CG-CH2 4.47Å; K218-W220 HydrophobicContact CG-CZ2 3.82Å; K218-W220 PolarHBondContact O-N 3.47Å; K218-L221 HydrophobicContact CB-CB 4.32Å; K218-L221 HydrophobicContact CB-CD1 4.19Å; K218-L221 HydrophobicContact CB-CG 4.32Å; K218-L221 HydrophobicContact CD-CD1 3.71Å; K218-L221 PolarHBondContact O-N 3.33Å; K218-Y222 HydrophobicContact CB-CD2 4.17Å; K218-Y222 HydrophobicContact CB-CE2 4.46Å; K218-Y222 PolarHBondContact O-N 2.96Å | ||
| 219 | P | 97.6 | Very high | 97.3 | Very high | 26 Ų | 26 | 73.5 Ų | 73.5 | 17% | 0.169 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -17.1 | -174.4 | 24.4 | -35.2 | 0 | 0 | 0 | 114.3 | F217 L221 Y222 P223 Q225 | F217-P219 HydrophobicContact CE1-CG 4.04Å; F217-P219 HydrophobicContact CE2-CG 4.47Å; F217-P219 HydrophobicContact CZ-CG 3.95Å; P219-L221 VanDerWaalsContact C-N 3.34Å; P219-Y222 WeakPolarHBondContact CA-O 3.31Å; P219-Y222 CarbonylContact O-C 3.58Å; P219-P223 WeakPolarHBondContact O-CA 3.39Å; P219-Q225 HydrophobicContact CB-CB 4.25Å |
| 220 | W | 97.6 | Very high | 97.2 | Very high | 26 Ų | 26 | 76.9 Ų | 76.9 | 10% | 0.098 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -20.1 | 172 | 53.3 | 89.4 | 0 | 0 | 0 | 114 | D68 H71 D72 K218 | D68-W220 HydrophobicContact CB-CZ2 4.46Å; D68-W220 PolarHBondContact OD1-NE1 2.83Å; H71-W220 HydrophobicContact CB-CB 3.86Å; H71-W220 HydrophobicContact CB-CD2 3.38Å; H71-W220 HydrophobicContact CB-CE3 3.75Å; H71-W220 HydrophobicContact CB-CG 3.41Å; H71-W220 VanDerWaalsContact CB-CG 3.41Å; H71-W220 HydrophobicContact CB-CZ3 4.45Å; H71-W220 AromaticContact CG-CD1 3.93Å; H71-W220 AromaticContact CG-CG 3.56Å; D72-W220 HydrophobicContact CB-CH2 3.51Å; D72-W220 HydrophobicContact CB-CZ2 4Å; D72-W220 HydrophobicContact CB-CZ3 4.17Å; D72-W220 WeakPolarHBondContact OD2-CH2 3.32Å; K218-W220 HydrophobicContact CB-CD2 4.44Å; K218-W220 HydrophobicContact CB-CZ2 3.94Å; K218-W220 HydrophobicContact CD-CZ2 4.41Å; K218-W220 HydrophobicContact CG-CH2 4.47Å; K218-W220 HydrophobicContact CG-CZ2 3.82Å; K218-W220 PolarHBondContact O-N 3.47Å |
| 221 | L | 97.6 | Very high | 97.1 | Very high | 71 Ų | 71 | 77.1 Ų | 77.1 | 37% | 0.372 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -33.4 | 170.9 | -61.4 | -179.6 | 0 | 0 | 0 | 112 | Y67 K218 P219 P223 | Y67-L221 HydrophobicContact CD1-CD2 4.02Å; Y67-L221 HydrophobicContact CE1-CD2 3.73Å; K218-L221 HydrophobicContact CB-CB 4.32Å; K218-L221 HydrophobicContact CB-CD1 4.19Å; K218-L221 HydrophobicContact CB-CG 4.32Å; K218-L221 HydrophobicContact CD-CD1 3.71Å; K218-L221 PolarHBondContact O-N 3.33Å; P219-L221 VanDerWaalsContact C-N 3.34Å; L221-P223 WeakPolarHBondContact O-CD 3.24Å |
| 222 | Y | 97.8 | Very high | 97 | Very high | 115 Ų | 115 | 73.3 Ų | 73.3 | 45% | 0.451 | 39% | 0.392 | S | S | . | . | trans | -124.6 | 79.7 | -173.9 | -56.5 | -64.7 | 0 | 0 | 0 | 109.6 | K218 P219 E224 Q225 | K218-Y222 HydrophobicContact CB-CD2 4.17Å; K218-Y222 HydrophobicContact CB-CE2 4.46Å; K218-Y222 PolarHBondContact O-N 2.96Å; P219-Y222 WeakPolarHBondContact CA-O 3.31Å; P219-Y222 CarbonylContact O-C 3.58Å; Y222-E224 WeakPolarHBondContact CA-OE2 3.36Å; Y222-E224 WeakPolarHBondContact CB-OE1 3.2Å; Y222-E224 PolarHBondContact O-N 3.33Å; Y222-Q225 VanDerWaalsContact O-CB 3.3Å; Y222-Q225 WeakPolarHBondContact O-CB 3.3Å; Y222-Q225 WeakPolarHBondContact O-CG 2.98Å; Y222-Q225 PolarHBondContact O-N 2.93Å | ||
| 223 | P | 96.6 | Very high | 96.9 | Very high | 46 Ų | 46 | 68.1 Ų | 68.1 | 30% | 0.299 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -58.5 | -24.6 | -171.3 | -25.4 | 35.4 | 0 | 0 | 0 | 114.5 | V94 P219 L221 Q225 T226 | V94-P223 HydrophobicContact CB-CB 4.14Å; V94-P223 HydrophobicContact CB-CG 4.25Å; V94-P223 HydrophobicContact CG1-CB 4.43Å; P219-P223 WeakPolarHBondContact O-CA 3.39Å; L221-P223 WeakPolarHBondContact O-CD 3.24Å; P223-Q225 PolarHBondContact O-N 2.84Å; P223-T226 WeakPolarHBondContact O-CB 3.35Å; P223-T226 WeakPolarHBondContact O-CG2 3.5Å; P223-T226 PolarHBondContact O-N 2.55Å; P223-T226 VanDerWaalsContact O-N 3.09Å |
| 224 | E | 96.8 | Very high | 96.7 | Very high | 146 Ų | 146 | 70 Ų | 70 | 68% | 0.682 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -62.7 | -20.7 | 174.2 | 71.5 | -78.7 | -174.1 | 0 | 0 | 113.5 | Y222 T226 | Y222-E224 WeakPolarHBondContact CA-OE2 3.36Å; Y222-E224 WeakPolarHBondContact CB-OE1 3.2Å; Y222-E224 PolarHBondContact O-N 3.33Å; E224-T226 VanDerWaalsContact C-N 3.26Å; E224-T226 PolarHBondContact O-N 3.41Å |
| 225 | Q | 97.9 | Very high | 96.7 | Very high | 57 Ų | 57 | 72.5 Ų | 72.5 | 27% | 0.266 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -76.9 | -13 | 175.2 | -59.3 | -178.2 | -11.6 | 0 | 0 | 112.8 | N216 F217 P219 Y222 P223 T227 | N216-Q225 PolarHBondContact O-NE2 3.33Å; N216-Q225 PolarHBondContact O-OE1 3.11Å; F217-Q225 HydrophobicContact CD2-CB 4.24Å; F217-Q225 HydrophobicContact CE2-CB 4.08Å; F217-Q225 WeakPolarHBondContact CE2-O 3.17Å; P219-Q225 HydrophobicContact CB-CB 4.25Å; Y222-Q225 VanDerWaalsContact O-CB 3.3Å; Y222-Q225 WeakPolarHBondContact O-CB 3.3Å; Y222-Q225 WeakPolarHBondContact O-CG 2.98Å; Y222-Q225 PolarHBondContact O-N 2.93Å; P223-Q225 PolarHBondContact O-N 2.84Å; Q225-T227 PolarHBondContact O-N 2.95Å |
| 226 | T | 95.4 | Very high | 96.6 | Very high | 36 Ų | 36 | 71.1 Ų | 71.1 | 22% | 0.221 | 39% | 0.389 | C | S | . | . | trans | -67 | 130.3 | -174.7 | -165.1 | 0 | 0 | 0 | 0 | 111.9 | K91 P223 E224 L228 | K91-T226 HydrophobicContact CD-CG2 3.68Å; K91-T226 VanDerWaalsContact NZ-CG2 3.27Å; P223-T226 WeakPolarHBondContact O-CB 3.35Å; P223-T226 WeakPolarHBondContact O-CG2 3.5Å; P223-T226 PolarHBondContact O-N 2.55Å; P223-T226 VanDerWaalsContact O-N 3.09Å; E224-T226 VanDerWaalsContact C-N 3.26Å; E224-T226 PolarHBondContact O-N 3.41Å; T226-L228 PolarHBondContact OG1-N 3.1Å | ||
| 227 | T | 95 | Very high | 96.5 | Very high | 131 Ų | 131 | 67.7 Ų | 67.7 | 80% | 0.804 | 38% | 0.376 | S | S | * | . | trans | -98 | 4.8 | 171.9 | 61.3 | 0 | 0 | 0 | 0 | 112.2 | Q225 | Q225-T227 PolarHBondContact O-N 2.95Š| ||
| 228 | L | 96.8 | Very high | 96.2 | Very high | 43 Ų | 43 | 65.2 Ų | 65.2 | 23% | 0.225 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 135.7 | -177.6 | -66.4 | 179.1 | 0 | 0 | 0 | 111.4 | D88 K91 T226 | D88-L228 HydrophobicContact CB-CD1 3.67Å; D88-L228 HydrophobicContact CB-CD2 3.91Å; D88-L228 HydrophobicContact CB-CG 4.46Å; K91-L228 HydrophobicContact CB-CB 4.26Å; K91-L228 WeakPolarHBondContact CE-O 3.36Å; K91-L228 HydrophobicContact CG-CB 4.36Å; T226-L228 PolarHBondContact OG1-N 3.1Å |
| 229 | A | 97 | Very high | 95.8 | Very high | 71 Ų | 71 | 63.5 Ų | 63.5 | 59% | 0.587 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -65.6 | 146 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | G90 K91 | G90-A229 CarbonylContact C-O 3.19Å; G90-A229 VanDerWaalsContact CA-O 3.3Å; G90-A229 WeakPolarHBondContact CA-O 3.24Å; K91-A229 PolarHBondContact N-O 2.76Å |
| 230 | T | 97.6 | Very high | 95.1 | Very high | 100 Ų | 100 | 67.6 Ų | 67.6 | 61% | 0.613 | 37% | 0.371 | S | S | * | . | B | Isolated β-bridge | trans | -76 | 129.8 | 173.1 | -56.1 | 0 | 0 | 0 | 0 | 109.8 | K91 | K91-T230 WeakPolarHBondContact CE-OG1 3.43Å; K91-T230 CarbonylContact O-C 3.48Å; K91-T230 WeakPolarHBondContact O-CA 3.34Å |
| 231 | I | 96.6 | Very high | 94.1 | Very high | 14 Ų | 14 | 66.8 Ų | 66.8 | 7% | 0.072 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -102.1 | 128.2 | 175.1 | -59.3 | 173 | 0 | 0 | 0 | 108.3 | I89 G90 K91 L92 V98 E235 L236 | I89-I231 HydrophobicContact CB-CD1 4.37Å; I89-I231 HydrophobicContact CG2-CD1 3.86Å; G90-I231 VanDerWaalsContact CA-CD1 3.46Å; K91-I231 PolarHBondContact O-N 2.84Å; L92-I231 HydrophobicContact CD2-CB 4.16Å; L92-I231 HydrophobicContact CD2-CG2 4.44Å; L92-I231 VanDerWaalsContact CD2-O 3.32Å; L92-I231 WeakPolarHBondContact CD2-O 3.34Å; V98-I231 HydrophobicContact CB-CD1 4.16Å; V98-I231 HydrophobicContact CG2-CD1 4.23Å; I231-E235 HydrophobicContact CG2-CB 4.24Å; I231-L236 HydrophobicContact CG2-CD2 4.43Å |
| 232 | P | 95.8 | Very high | 92.9 | Very high | 59 Ų | 59 | 70.1 Ų | 70.1 | 38% | 0.383 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 133.3 | 169 | -18.7 | 31.1 | 0 | 0 | 0 | 111 | S234 E235 | P232-S234 PolarHBondContact O-N 3.17Å; P232-E235 HydrophobicContact CB-CG 4.22Å; P232-E235 VanDerWaalsContact CD-OE1 3.26Å; P232-E235 WeakPolarHBondContact CD-OE1 3.05Å; P232-E235 HydrophobicContact CG-CG 4.22Å; P232-E235 WeakPolarHBondContact CG-OE1 3.22Å; P232-E235 WeakPolarHBondContact O-CB 3.35Å; P232-E235 PolarHBondContact O-N 3.38Å |
| 233 | L | 95.2 | Very high | 91.6 | Very high | 66 Ų | 66 | 67.5 Ų | 67.5 | 35% | 0.346 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -57 | -28.8 | 178.5 | -169.1 | 66.3 | 0 | 0 | 0 | 112.6 | V6 I8 L92 L117 E235 L236 | V6-L233 HydrophobicContact CB-CD1 4.27Å; V6-L233 HydrophobicContact CG1-CD1 3.73Å; I8-L233 HydrophobicContact CD1-CD1 4.48Å; I8-L233 HydrophobicContact CG1-CD1 3.97Å; I8-L233 HydrophobicContact CG1-CD2 4.37Å; L92-L233 HydrophobicContact CD1-CD1 4.42Å; L92-L233 HydrophobicContact CD2-CD1 4.33Å; L117-L233 HydrophobicContact CD1-CD1 4.37Å; L233-E235 PolarHBondContact O-N 3.42Å; L233-L236 HydrophobicContact CD1-CD1 4.31Å; L233-L236 WeakPolarHBondContact O-CB 3.47Å; L233-L236 PolarHBondContact O-N 3.25Å; L233-L236 VanDerWaalsContact O-N 3.11Å |
| 234 | S | 94.3 | Very high | 90.6 | Very high | 110 Ų | 110 | 67 Ų | 67 | 77% | 0.769 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -66.1 | -17.9 | 176 | 54.9 | 0 | 0 | 0 | 0 | 114.6 | P232 L236 | P232-S234 PolarHBondContact O-N 3.17Å; S234-L236 PolarHBondContact O-N 3.29Å |
| 235 | E | 94.4 | Very high | 89.3 | Confident | 92 Ų | 92 | 68.4 Ų | 68.4 | 43% | 0.43 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -77.7 | -9.1 | 173.5 | -66.9 | -171.8 | -158.5 | 0 | 0 | 112.6 | I231 P232 L233 | I231-E235 HydrophobicContact CG2-CB 4.24Å; P232-E235 HydrophobicContact CB-CG 4.22Å; P232-E235 VanDerWaalsContact CD-OE1 3.26Å; P232-E235 WeakPolarHBondContact CD-OE1 3.05Å; P232-E235 HydrophobicContact CG-CG 4.22Å; P232-E235 WeakPolarHBondContact CG-OE1 3.22Å; P232-E235 WeakPolarHBondContact O-CB 3.35Å; P232-E235 PolarHBondContact O-N 3.38Å; L233-E235 PolarHBondContact O-N 3.42Å |
| 236 | L | 96.4 | Very high | 87.9 | Confident | 14 Ų | 14 | 71.4 Ų | 71.4 | 7% | 0.073 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 145.4 | -179.9 | -53 | -179.4 | 0 | 0 | 0 | 111.1 | V6 L92 V98 L117 V134 K135 H136 I231 L233 S234 | V6-L236 HydrophobicContact CB-CB 4.26Å; V6-L236 HydrophobicContact CG1-CB 4.08Å; V6-L236 HydrophobicContact CG1-CD1 4.19Å; V6-L236 HydrophobicContact CG2-CB 3.88Å; L92-L236 HydrophobicContact CD1-CD1 4.16Å; L92-L236 HydrophobicContact CD2-CD1 4.02Å; V98-L236 HydrophobicContact CG2-CD1 3.61Å; V98-L236 HydrophobicContact CG2-CD2 4.21Å; L117-L236 HydrophobicContact CD1-CD1 4.44Å; V134-L236 HydrophobicContact CG2-CD1 4.44Å; V134-L236 HydrophobicContact CG2-CD2 4.39Å; K135-L236 WeakPolarHBondContact O-CA 3.44Å; H136-L236 HydrophobicContact CB-CD2 4.22Å; I231-L236 HydrophobicContact CG2-CD2 4.43Å; L233-L236 HydrophobicContact CD1-CD1 4.31Å; L233-L236 WeakPolarHBondContact O-CB 3.47Å; L233-L236 PolarHBondContact O-N 3.25Å; L233-L236 VanDerWaalsContact O-N 3.11Å; S234-L236 PolarHBondContact O-N 3.29Å |
| 237 | S | 95.1 | Very high | 86.9 | Confident | 60 Ų | 60 | 71.6 Ų | 71.6 | 42% | 0.42 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 158.8 | 168 | 54.5 | 0 | 0 | 0 | 0 | 110.9 | V134 K135 Q239 | V134-S237 CarbonylContact C-O 3.55Å; V134-S237 WeakPolarHBondContact CA-O 3.31Å; K135-S237 WeakPolarHBondContact CB-OG 2.96Å; K135-S237 PolarHBondContact N-O 3.31Å; K135-S237 PolarHBondContact O-N 3.07Å; S237-Q239 PolarHBondContact O-N 2.88Å |
| 238 | I | 91.9 | Very high | 86 | Confident | 43 Ų | 43 | 70.1 Ų | 70.1 | 22% | 0.221 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 129.6 | -179.4 | -66.5 | -67.7 | 0 | 0 | 0 | 110 | V6 Y132 R240 | V6-I238 HydrophobicContact CB-CD1 4.46Å; V6-I238 HydrophobicContact CG2-CD1 3.96Å; V6-I238 HydrophobicContact CG2-CG1 4.13Å; Y132-I238 HydrophobicContact CE2-CD1 3.86Å; I238-R240 HydrophobicContact CG2-CG 3.94Å; I238-R240 PolarHBondContact O-N 3.45Å |
| 239 | Q | 88.5 | Confident | 85.2 | Confident | 8 Ų | 8 | 68.3 Ų | 68.3 | 4% | 0.037 | 38% | 0.378 | C | S | . | . | trans | -80.8 | 103.8 | 170.4 | -178.8 | 63.4 | 74.1 | 0 | 0 | 109 | S133 K135 V149 S237 L244 | S133-Q239 PolarHBondContact O-N 2.93Å; K135-Q239 HydrophobicContact CG-CB 4.13Å; K135-Q239 VanDerWaalsContact CG-OE1 3.27Å; V149-Q239 HydrophobicContact CB-CG 4.48Å; V149-Q239 HydrophobicContact CG1-CG 4.17Å; V149-Q239 WeakPolarHBondContact CG1-O 3.11Å; V149-Q239 HydrophobicContact CG2-CG 3.69Å; S237-Q239 PolarHBondContact O-N 2.88Å; Q239-L244 VanDerWaalsContact NE2-CD2 3.34Å; Q239-L244 VanDerWaalsContact NE2-CG 3.26Å | ||
| 240 | R | 83.8 | Confident | 84.2 | Confident | 112 Ų | 112 | 67.6 Ų | 67.6 | 42% | 0.423 | 37% | 0.368 | S | S | . | . | trans | -93.3 | 136.5 | 170.5 | -60.3 | -173.2 | -178.3 | -166.6 | -0.4 | 109.5 | I238 E242 S243 | I238-R240 HydrophobicContact CG2-CG 3.94Å; I238-R240 PolarHBondContact O-N 3.45Å; R240-E242 PolarHBondContact O-N 2.77Å; R240-S243 PolarHBondContact O-N 3.23Å; R240-S243 VanDerWaalsContact O-N 3.17Å; R240-S243 PolarHBondContact O-OG 2.88Å | ||
| 241 | A | 75.9 | Confident | 83.3 | Confident | 8 Ų | 8 | 67.7 Ų | 67.7 | 7% | 0.066 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -65.3 | -21.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V149 D174 R176 S243 L244 | V149-A241 HydrophobicContact CB-CB 4.07Å; V149-A241 HydrophobicContact CG1-CB 4.34Å; V149-A241 HydrophobicContact CG2-CB 3.86Å; D174-A241 HydrophobicContact CB-CB 4.44Å; R176-A241 HydrophobicContact CG-CB 3.77Å; R176-A241 VanDerWaalsContact CZ-CB 3.5Å; R176-A241 VanDerWaalsContact NE-C 3.34Å; R176-A241 VanDerWaalsContact NH1-C 3.28Å; R176-A241 PolarHBondContact NH1-O 2.96Å; A241-S243 VanDerWaalsContact C-N 3.26Å; A241-S243 PolarHBondContact O-N 3.21Å; A241-L244 PolarHBondContact O-N 2.9Å |
| 242 | E | 71.5 | Confident | 82.5 | Confident | 141 Ų | 141 | 69.5 Ų | 69.5 | 66% | 0.659 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -64.9 | -28 | 174 | -95.8 | 129.3 | -118.8 | 0 | 0 | 113.8 | R176 R240 L244 | R176-E242 VanDerWaalsContact CZ-CA 3.44Å; R176-E242 IonicContact CZ-OE1 2.66Å; R176-E242 VanDerWaalsContact NH2-CG 3.34Å; R176-E242 IonicContact NH2-OE1 2.89Å; R176-E242 PolarHBondContact NH2-OE1 3.28Å; R240-E242 PolarHBondContact O-N 2.77Å; E242-L244 VanDerWaalsContact C-N 3.3Å |
| 243 | S | 72.2 | Confident | 81.7 | Confident | 61 Ų | 61 | 70.2 Ų | 70.2 | 43% | 0.427 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -91.8 | 5.7 | -174.8 | 67.3 | 0 | 0 | 0 | 0 | 113.2 | K135 R240 A241 | K135-S243 WeakPolarHBondContact CE-OG 3.27Å; K135-S243 PolarHBondContact NZ-OG 3.28Å; R240-S243 PolarHBondContact O-N 3.23Å; R240-S243 VanDerWaalsContact O-N 3.17Å; R240-S243 PolarHBondContact O-OG 2.88Å; A241-S243 VanDerWaalsContact C-N 3.26Å; A241-S243 PolarHBondContact O-N 3.21Å |
| 244 | L | 74.8 | Confident | 80.9 | Confident | 34 Ų | 34 | 70.9 Ų | 70.9 | 18% | 0.178 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -105.7 | 150.5 | 179.5 | -65.3 | 174.4 | 0 | 0 | 0 | 110 | P141 R147 V149 Q239 A241 E242 N246 | P141-L244 HydrophobicContact CG-CD2 4Å; R147-L244 HydrophobicContact CB-CD1 4Å; R147-L244 HydrophobicContact CB-CD2 4.1Å; R147-L244 HydrophobicContact CG-CD1 3.75Å; R147-L244 HydrophobicContact CG-CD2 3.92Å; R147-L244 WeakPolarHBondContact O-CD1 3.13Å; V149-L244 HydrophobicContact CG2-CD1 3.41Å; V149-L244 VanDerWaalsContact CG2-CD1 3.41Å; Q239-L244 VanDerWaalsContact NE2-CD2 3.34Å; Q239-L244 VanDerWaalsContact NE2-CG 3.26Å; A241-L244 PolarHBondContact O-N 2.9Å; E242-L244 VanDerWaalsContact C-N 3.3Å; L244-N246 PolarHBondContact O-N 2.9Å |
| 245 | E | 70.1 | Confident | 79.9 | Confident | 177 Ų | 177 | 68.8 Ų | 68.8 | 83% | 0.827 | 38% | 0.377 | S | S | * | . | trans | -54.8 | 128.7 | 170 | -70.9 | -178.2 | 174 | 0 | 0 | 109.8 | I247 | E245-I247 PolarHBondContact O-N 3.45Š| ||
| 246 | N | 68.7 | Low | 78.1 | Confident | 120 Ų | 120 | 71.6 Ų | 71.6 | 64% | 0.642 | 40% | 0.395 | S | S | * | . | trans | -80 | 103.6 | 177 | -166.8 | 5.6 | 0 | 0 | 0 | 108.9 | L244 | L244-N246 PolarHBondContact O-N 2.9Š| ||
| 247 | I | 73.9 | Confident | 75.9 | Confident | 39 Ų | 39 | 75.8 Ų | 75.8 | 20% | 0.2 | 42% | 0.418 | C | S | . | . | trans | -94.4 | 103.5 | 173.3 | -62.4 | 166.8 | 0 | 0 | 0 | 106.5 | V146 S178 E245 E249 | V146-I247 HydrophobicContact CB-CD1 4.44Å; V146-I247 HydrophobicContact CG2-CB 4.49Å; V146-I247 HydrophobicContact CG2-CD1 3.73Å; V146-I247 HydrophobicContact CG2-CG2 4.36Å; S178-I247 WeakPolarHBondContact CB-O 3.35Å; E245-I247 PolarHBondContact O-N 3.45Å; I247-E249 HydrophobicContact CG2-CG 4.09Å; I247-E249 PolarHBondContact O-N 3.21Å | ||
| 248 | D | 75.1 | Confident | 73.5 | Confident | 100 Ų | 100 | 84.2 Ų | 84.2 | 54% | 0.535 | 44% | 0.441 | S | S | . | . | trans | -80.4 | 109 | 180 | -176 | 10.2 | 0 | 0 | 0 | 111 | S250 | D248-S250 WeakPolarHBondContact OD1-CB 3.31Å; D248-S250 PolarHBondContact OD1-N 3.04Å; D248-S250 PolarHBondContact OD1-OG 3.38Å; D248-S250 PolarHBondContact OD2-OG 3.07Å | ||
| 249 | E | 80 | Confident | 71.6 | Confident | 6 Ų | 6 | 86.9 Ų | 86.9 | 3% | 0.028 | 45% | 0.452 | C | S | . | . | trans | -108.1 | 10.5 | 174.8 | -61.4 | 171.9 | 106.1 | 0 | 0 | 111.4 | L109 R110 R112 S178 P180 I247 S251 L252 | L109-E249 WeakPolarHBondContact CA-OE1 2.89Å; L109-E249 HydrophobicContact CD2-CB 4.11Å; R110-E249 PolarHBondContact N-OE1 3.03Å; R112-E249 IonicContact CZ-OE2 2.64Å; R112-E249 IonicContact NE-OE2 3.02Å; R112-E249 VanDerWaalsContact NH2-CD 3.34Å; R112-E249 IonicContact NH2-OE1 3.66Å; R112-E249 PolarHBondContact NH2-OE1 2.81Å; R112-E249 IonicContact NH2-OE2 3.75Å; R112-E249 PolarHBondContact NH2-OE2 3.07Å; S178-E249 CarbonylContact O-C 3.54Å; S178-E249 WeakPolarHBondContact O-CA 3.15Å; S178-E249 WeakPolarHBondContact O-CB 3.46Å; S178-E249 PolarHBondContact O-N 3.05Å; P180-E249 WeakPolarHBondContact CD-O 3.23Å; P180-E249 VanDerWaalsContact CG-O 3.23Å; P180-E249 WeakPolarHBondContact CG-O 3.36Å; I247-E249 HydrophobicContact CG2-CG 4.09Å; I247-E249 PolarHBondContact O-N 3.21Å; E249-S251 VanDerWaalsContact C-N 3.25Å; E249-S251 PolarHBondContact O-N 3.09Å; E249-L252 HydrophobicContact CB-CD1 3.62Å; E249-L252 HydrophobicContact CB-CG 4.17Å; E249-L252 HydrophobicContact CG-CD1 3.93Å; E249-L252 VanDerWaalsContact O-CB 3.31Å; E249-L252 WeakPolarHBondContact O-CB 3.41Å; E249-L252 WeakPolarHBondContact O-CG 3.17Å; E249-L252 PolarHBondContact O-N 3.13Å; E249-L252 VanDerWaalsContact O-N 3.09Å | ||
| 250 | S | 76.8 | Confident | 69.2 | Low | 55 Ų | 55 | 93.1 Ų | 93.1 | 39% | 0.385 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -27.5 | -170 | 65.4 | 0 | 0 | 0 | 0 | 114.1 | G177 S178 D248 L252 | G177-S250 WeakPolarHBondContact O-CB 3.34Å; S178-S250 PolarHBondContact O-N 3.48Å; D248-S250 WeakPolarHBondContact OD1-CB 3.31Å; D248-S250 PolarHBondContact OD1-N 3.04Å; D248-S250 PolarHBondContact OD1-OG 3.38Å; D248-S250 PolarHBondContact OD2-OG 3.07Å; S250-L252 VanDerWaalsContact C-N 3.32Å |
| 251 | S | 77.7 | Confident | 66.8 | Low | 103 Ų | 103 | 93 Ų | 93 | 72% | 0.72 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -4.7 | 179.4 | 60.2 | 0 | 0 | 0 | 0 | 113.8 | E249 A253 | E249-S251 VanDerWaalsContact C-N 3.25Å; E249-S251 PolarHBondContact O-N 3.09Å; S251-A253 PolarHBondContact O-N 3.39Å |
| 252 | L | 80.5 | Confident | 64.7 | Low | 51 Ų | 51 | 101.3 Ų | 101.3 | 27% | 0.267 | 55% | 0.546 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 119.7 | -177.9 | -65.3 | -177.4 | 0 | 0 | 0 | 111.7 | P108 L109 P180 W182 E249 S250 | P108-L252 HydrophobicContact CB-CD1 4.33Å; P108-L252 HydrophobicContact CB-CD2 4.4Å; P108-L252 HydrophobicContact CG-CB 3.79Å; P108-L252 HydrophobicContact CG-CD1 3.88Å; P108-L252 HydrophobicContact CG-CD2 3.99Å; P108-L252 HydrophobicContact CG-CG 4.1Å; L109-L252 HydrophobicContact CD2-CD1 4.07Å; P180-L252 HydrophobicContact CG-CB 4.06Å; P180-L252 WeakPolarHBondContact CG-O 3.49Å; W182-L252 PolarHBondContact NE1-O 3.43Å; E249-L252 HydrophobicContact CB-CD1 3.62Å; E249-L252 HydrophobicContact CB-CG 4.17Å; E249-L252 HydrophobicContact CG-CD1 3.93Å; E249-L252 VanDerWaalsContact O-CB 3.31Å; E249-L252 WeakPolarHBondContact O-CB 3.41Å; E249-L252 WeakPolarHBondContact O-CG 3.17Å; E249-L252 PolarHBondContact O-N 3.13Å; E249-L252 VanDerWaalsContact O-N 3.09Å; S250-L252 VanDerWaalsContact C-N 3.32Å |
| 253 | A | 79.2 | Confident | 64.4 | Low | 74 Ų | 74 | 99.4 Ų | 99.4 | 61% | 0.612 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -73.5 | 148.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | S251 T255 | S251-A253 PolarHBondContact O-N 3.39Å; A253-T255 PolarHBondContact O-N 3.3Å |
| 254 | E | 78.9 | Confident | 64 | Low | 80 Ų | 80 | 101.4 Ų | 101.4 | 37% | 0.374 | 55% | 0.546 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 124.5 | 173.2 | -172.6 | -177.8 | 151 | 0 | 0 | 110 | W182 K186 | W182-E254 HydrophobicContact CD2-CB 3.92Å; W182-E254 HydrophobicContact CD2-CG 4.17Å; W182-E254 HydrophobicContact CE3-CB 4.38Å; W182-E254 HydrophobicContact CE3-CG 4.11Å; W182-E254 HydrophobicContact CG-CB 4.19Å; W182-E254 HydrophobicContact CH2-CG 4.4Å; W182-E254 HydrophobicContact CZ2-CB 4.3Å; W182-E254 HydrophobicContact CZ2-CG 4.45Å; W182-E254 HydrophobicContact CZ3-CG 4.24Å; K186-E254 VanDerWaalsContact CE-OE1 3.22Å; K186-E254 WeakPolarHBondContact CE-OE1 3.11Å; K186-E254 WeakPolarHBondContact CE-OE2 3.42Å; K186-E254 IonicContact NZ-OE1 3.45Å; K186-E254 PolarHBondContact NZ-OE1 3.05Å; K186-E254 IonicContact NZ-OE2 3.59Å |
| 255 | T | 73.6 | Confident | 63.4 | Low | 66 Ų | 66 | 105.1 Ų | 105.1 | 41% | 0.405 | 57% | 0.566 | S | S | . | * | P | Polyproline II helix | trans | -91.9 | 131.3 | 169.2 | 49.6 | 0 | 0 | 0 | 0 | 109.4 | K107 A253 D257 | K107-T255 PolarHBondContact O-OG1 2.79Å; K107-T255 VanDerWaalsContact O-OG1 3.11Å; A253-T255 PolarHBondContact O-N 3.3Å; T255-D257 PolarHBondContact O-N 2.85Å |
| 256 | N | 55.3 | Low | 63 | Low | 151 Ų | 151 | 100.9 Ų | 100.9 | 81% | 0.807 | 55% | 0.551 | S | S | * | * | trans | -72.2 | 58.5 | 175.3 | -85.8 | -24.3 | 0 | 0 | 0 | 111.4 | R258 | N256-R258 PolarHBondContact O-N 2.66Š| ||
| 257 | D | 50.1 | Low | 62.6 | Low | 103 Ų | 103 | 99.7 Ų | 99.7 | 55% | 0.551 | 55% | 0.545 | S | S | * | . | trans | -78.7 | 111.1 | 163.7 | -73.7 | -19.4 | 0 | 0 | 0 | 106.3 | T255 E259 | T255-D257 PolarHBondContact O-N 2.85Å; D257-E259 PolarHBondContact O-N 2.89Å | ||
| 258 | R | 45.9 | Very low | 61.9 | Low | 236 Ų | 236 | 103.7 Ų | 103.7 | 89% | 0.891 | 57% | 0.568 | S | S | * | * | trans | -61 | 89 | 165.6 | -70.3 | 179.2 | 179.4 | 179 | 0.1 | 106.6 | N256 D260 | N256-R258 PolarHBondContact O-N 2.66Å; R258-D260 PolarHBondContact O-N 3.29Å | ||
| 259 | E | 50.8 | Low | 60.9 | Low | 100 Ų | 100 | 104 Ų | 104 | 47% | 0.467 | 57% | 0.571 | S | S | . | * | trans | -62.1 | 110 | 174.3 | -76.9 | -173.7 | 164.7 | 0 | 0 | 108.3 | P106 R194 D257 S261 | P106-E259 WeakPolarHBondContact CG-OE1 3.34Å; R194-E259 IonicContact NH1-OE2 3.54Å; R194-E259 PolarHBondContact NH1-OE2 3.27Å; D257-E259 PolarHBondContact O-N 2.89Å; E259-S261 PolarHBondContact O-N 2.91Å | ||
| 260 | D | 37.6 | Very low | 59.5 | Low | 138 Ų | 138 | 111.5 Ų | 111.5 | 74% | 0.738 | 61% | 0.613 | S | S | * | * | trans | -38.5 | 122.6 | -173.8 | -72.9 | -43 | 0 | 0 | 0 | 112.4 | R194 R258 D262 | R194-D260 PolarHBondContact NH2-O 3.13Å; R258-D260 PolarHBondContact O-N 3.29Å; D260-D262 PolarHBondContact O-N 3.48Å | ||
| 261 | S | 33.8 | Very low | 58 | Low | 110 Ų | 110 | 116.3 Ų | 116.3 | 77% | 0.769 | 63% | 0.632 | S | S | * | * | trans | -80.2 | 91.9 | 175.3 | 46.9 | 0 | 0 | 0 | 0 | 109.3 | E259 | E259-S261 PolarHBondContact O-N 2.91Š| ||
| 262 | D | 32.9 | Very low | 56.2 | Low | 183 Ų | 183 | 117.5 Ų | 117.5 | 98% | 0.979 | 62% | 0.624 | S | S | * | * | trans | -119.1 | 0 | 159.4 | -71.7 | -25.2 | 0 | 0 | 0 | 111.1 | K201 D260 | K201-D262 PolarHBondContact NZ-OXT 2.62Å; D260-D262 PolarHBondContact O-N 3.48Å |
Retrieved 262 of 262 residues in 104.5 ms
(Link to these results)