| 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 | 38.6 | Very low | 58.7 | Low | 223 Ų | 223 | 89.7 Ų | 89.7 | 100% | 1.099 | 50% | 0.499 | S | S | * | . | 0 | 33.5 | 0 | -69.7 | 176.6 | 60.2 | 0 | 0 | 112.1 | |||||
| 2 | S | 55.8 | Low | 59.8 | Low | 73 Ų | 73 | 88.8 Ų | 88.8 | 51% | 0.51 | 50% | 0.5 | S | S | . | . | trans | -114.8 | -15.2 | -147.8 | -37 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 3 | G | 55.2 | Low | 60.3 | Low | 40 Ų | 40 | 86.4 Ų | 86.4 | 41% | 0.412 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -84.9 | -37.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | R7 | G3-R7 VanDerWaalsContact O-CG 3.28Å; G3-R7 WeakPolarHBondContact O-CG 3.27Å; G3-R7 PolarHBondContact O-N 3.02Å |
| 4 | A | 59.5 | Low | 60.7 | Low | 66 Ų | 66 | 80.9 Ų | 80.9 | 55% | 0.545 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -69.8 | -41.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R7 V8 | A4-R7 WeakPolarHBondContact O-CB 3.35Å; A4-R7 PolarHBondContact O-N 2.93Å; A4-V8 WeakPolarHBondContact O-CG2 3.36Å; A4-V8 PolarHBondContact O-N 3.24Å |
| 5 | L | 60.1 | Low | 61.1 | Low | 115 Ų | 115 | 79.1 Ų | 79.1 | 60% | 0.602 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -66.9 | -39.3 | 178.3 | -169.3 | 67.6 | 0 | 0 | 0 | 112 | R7 V8 L9 | L5-R7 VanDerWaalsContact C-N 3.29Å; L5-R7 PolarHBondContact O-N 3.47Å; L5-V8 PolarHBondContact O-N 3.02Å; L5-L9 HydrophobicContact CG-CD1 4.21Å; L5-L9 PolarHBondContact O-N 3.39Å |
| 6 | A | 58.8 | Low | 61.6 | Low | 34 Ų | 34 | 82.1 Ų | 82.1 | 28% | 0.281 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.8 | -38.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | F10 | A6-F10 WeakPolarHBondContact O-CB 3.25Å; A6-F10 PolarHBondContact O-N 2.9Å; A6-F10 VanDerWaalsContact O-N 3.1Å |
| 7 | R | 61.1 | Low | 61.9 | Low | 137 Ų | 137 | 78.7 Ų | 78.7 | 52% | 0.517 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -66.1 | -42.3 | 174.8 | -71.2 | 169 | -176 | 169.9 | 2.9 | 112.6 | G3 A4 L5 F10 Y11 Y66 | G3-R7 VanDerWaalsContact O-CG 3.28Å; G3-R7 WeakPolarHBondContact O-CG 3.27Å; G3-R7 PolarHBondContact O-N 3.02Å; A4-R7 WeakPolarHBondContact O-CB 3.35Å; A4-R7 PolarHBondContact O-N 2.93Å; L5-R7 VanDerWaalsContact C-N 3.29Å; L5-R7 PolarHBondContact O-N 3.47Å; R7-F10 WeakPolarHBondContact O-CB 3.43Å; R7-F10 PolarHBondContact O-N 3.46Å; R7-Y11 WeakPolarHBondContact O-CD2 3.23Å; R7-Y66 HydrophobicContact CB-CE2 4.42Å; R7-Y66 HydrophobicContact CG-CD2 3.76Å; R7-Y66 HydrophobicContact CG-CE1 4.45Å; R7-Y66 HydrophobicContact CG-CE2 3.57Å; R7-Y66 HydrophobicContact CG-CG 4.3Å |
| 8 | V | 61.9 | Low | 62.2 | Low | 99 Ų | 99 | 76.5 Ų | 76.5 | 60% | 0.6 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -67.1 | -42.2 | 179.8 | 173.2 | 0 | 0 | 0 | 0 | 111.3 | A4 L5 F10 P12 | A4-V8 WeakPolarHBondContact O-CG2 3.36Å; A4-V8 PolarHBondContact O-N 3.24Å; L5-V8 PolarHBondContact O-N 3.02Å; V8-F10 VanDerWaalsContact C-N 3.3Å; V8-F10 PolarHBondContact O-N 3.13Å; V8-P12 WeakPolarHBondContact O-CD 3.33Å |
| 9 | L | 63.1 | Low | 62.5 | Low | 100 Ų | 100 | 76.8 Ų | 76.8 | 52% | 0.524 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -77 | -14.8 | 179.4 | -66.2 | 174.7 | 0 | 0 | 0 | 113.6 | L5 T13 | L5-L9 HydrophobicContact CG-CD1 4.21Å; L5-L9 PolarHBondContact O-N 3.39Å; L9-T13 WeakPolarHBondContact O-CB 3.32Å; L9-T13 VanDerWaalsContact O-CG2 3.32Å; L9-T13 WeakPolarHBondContact O-CG2 3.35Å; L9-T13 PolarHBondContact O-N 2.98Å; L9-T13 PolarHBondContact O-OG1 3.09Å |
| 10 | F | 66 | Low | 62.5 | Low | 4 Ų | 4 | 75 Ų | 75 | 2% | 0.018 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62.1 | -50.4 | 179.9 | 177.2 | -92.7 | 0 | 0 | 0 | 112.3 | A6 R7 V8 T13 L14 L41 E67 K124 | A6-F10 WeakPolarHBondContact O-CB 3.25Å; A6-F10 PolarHBondContact O-N 2.9Å; A6-F10 VanDerWaalsContact O-N 3.1Å; R7-F10 WeakPolarHBondContact O-CB 3.43Å; R7-F10 PolarHBondContact O-N 3.46Å; V8-F10 VanDerWaalsContact C-N 3.3Å; V8-F10 PolarHBondContact O-N 3.13Å; F10-T13 PolarHBondContact O-N 3.39Å; F10-T13 PolarHBondContact O-OG1 3.45Å; F10-L14 HydrophobicContact CE1-CD2 3.79Å; F10-L14 HydrophobicContact CZ-CD2 4.09Å; F10-L14 WeakPolarHBondContact O-CB 3.19Å; F10-L14 PolarHBondContact O-N 2.87Å; F10-L41 HydrophobicContact CZ-CD1 4Å; F10-E67 HydrophobicContact CD2-CB 4.23Å; F10-E67 HydrophobicContact CD2-CG 3.67Å; F10-E67 WeakPolarHBondContact CD2-OE1 3.47Å; F10-E67 HydrophobicContact CE1-CB 4.24Å; F10-E67 HydrophobicContact CE2-CB 3.45Å; F10-E67 VanDerWaalsContact CE2-CB 3.45Å; F10-E67 HydrophobicContact CE2-CG 3.35Å; F10-E67 WeakPolarHBondContact CE2-OE1 3.5Å; F10-E67 HydrophobicContact CG-CG 4.43Å; F10-E67 HydrophobicContact CZ-CB 3.47Å; F10-E67 VanDerWaalsContact CZ-CB 3.47Å; F10-E67 HydrophobicContact CZ-CG 3.88Å; F10-E67 WeakPolarHBondContact CZ-O 3.41Å; F10-K124 HydrophobicContact CD2-CD 3.37Å; F10-K124 HydrophobicContact CD2-CG 4.31Å; F10-K124 HydrophobicContact CE2-CB 4.16Å; F10-K124 HydrophobicContact CE2-CD 3.18Å; F10-K124 HydrophobicContact CE2-CG 3.62Å; F10-K124 HydrophobicContact CG-CD 4.3Å; F10-K124 HydrophobicContact CZ-CD 4.01Å; F10-K124 HydrophobicContact CZ-CG 4.14Å |
| 11 | Y | 65.7 | Low | 62.6 | Low | 96 Ų | 96 | 74.5 Ų | 74.5 | 38% | 0.376 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -68.2 | -45.6 | -173.8 | -61 | -83.5 | 0 | 0 | 0 | 113.7 | R7 T13 L14 A15 F71 | R7-Y11 WeakPolarHBondContact O-CD2 3.23Å; Y11-T13 VanDerWaalsContact C-N 3.32Å; Y11-T13 PolarHBondContact O-N 2.94Å; Y11-L14 PolarHBondContact O-N 3.36Å; Y11-A15 WeakPolarHBondContact O-CB 3.36Å; Y11-A15 PolarHBondContact O-N 2.84Å; Y11-F71 HydrophobicContact CD1-CE2 4.22Å; Y11-F71 HydrophobicContact CE1-CE2 4Å |
| 12 | P | 71.6 | Confident | 63.7 | Low | 79 Ų | 79 | 71.9 Ų | 71.9 | 51% | 0.513 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.9 | -39.1 | 175.9 | -24.1 | 34.8 | 0 | 0 | 0 | 112.6 | V8 A15 Y16 | V8-P12 WeakPolarHBondContact O-CD 3.33Å; P12-A15 PolarHBondContact O-N 3.44Å; P12-Y16 PolarHBondContact O-N 3.22Å |
| 13 | T | 66.3 | Low | 63.8 | Low | 57 Ų | 57 | 73.9 Ų | 73.9 | 35% | 0.35 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -75.2 | -28.3 | 178.8 | 56 | 0 | 0 | 0 | 0 | 112.7 | L9 F10 Y11 N17 K124 | L9-T13 WeakPolarHBondContact O-CB 3.32Å; L9-T13 VanDerWaalsContact O-CG2 3.32Å; L9-T13 WeakPolarHBondContact O-CG2 3.35Å; L9-T13 PolarHBondContact O-N 2.98Å; L9-T13 PolarHBondContact O-OG1 3.09Å; F10-T13 PolarHBondContact O-N 3.39Å; F10-T13 PolarHBondContact O-OG1 3.45Å; Y11-T13 VanDerWaalsContact C-N 3.32Å; Y11-T13 PolarHBondContact O-N 2.94Å; T13-N17 VanDerWaalsContact O-CG 3.28Å; T13-N17 PolarHBondContact O-N 3.31Å; T13-N17 VanDerWaalsContact O-N 3.13Å; T13-N17 PolarHBondContact O-ND2 2.9Å; T13-K124 PolarHBondContact OG1-NZ 3.48Å |
| 14 | L | 66.4 | Low | 64.1 | Low | 10 Ų | 10 | 73.9 Ų | 73.9 | 5% | 0.052 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -68 | -46.2 | 169.5 | 179.5 | 60 | 0 | 0 | 0 | 111 | F10 Y11 Y16 N17 V18 L41 F71 K124 | F10-L14 HydrophobicContact CE1-CD2 3.79Å; F10-L14 HydrophobicContact CZ-CD2 4.09Å; F10-L14 WeakPolarHBondContact O-CB 3.19Å; F10-L14 PolarHBondContact O-N 2.87Å; Y11-L14 PolarHBondContact O-N 3.36Å; L14-Y16 VanDerWaalsContact C-N 3.29Å; L14-Y16 PolarHBondContact O-N 3.35Å; L14-N17 WeakPolarHBondContact O-CA 3.3Å; L14-N17 WeakPolarHBondContact O-CB 3.33Å; L14-N17 PolarHBondContact O-N 3.26Å; L14-V18 PolarHBondContact O-N 3.44Å; L14-L41 HydrophobicContact CD1-CD1 3.7Å; L14-L41 HydrophobicContact CD2-CD1 3.77Å; L14-L41 HydrophobicContact CG-CD1 4.41Å; L14-F71 HydrophobicContact CD2-CD2 4.34Å; L14-F71 HydrophobicContact CD2-CE2 4.46Å; L14-K124 HydrophobicContact CD1-CG 4.18Å |
| 15 | A | 67.1 | Low | 64.3 | Low | 53 Ų | 53 | 76.8 Ų | 76.8 | 44% | 0.438 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -57.9 | -43.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y11 P12 N17 V18 V19 | Y11-A15 WeakPolarHBondContact O-CB 3.36Å; Y11-A15 PolarHBondContact O-N 2.84Å; P12-A15 PolarHBondContact O-N 3.44Å; A15-N17 VanDerWaalsContact C-N 3.32Å; A15-N17 PolarHBondContact O-N 2.55Å; A15-V18 PolarHBondContact O-N 3.29Å; A15-V19 WeakPolarHBondContact O-CG2 3.15Å; A15-V19 PolarHBondContact O-N 2.83Å |
| 16 | Y | 69.1 | Low | 65 | Low | 127 Ų | 127 | 75 Ų | 75 | 50% | 0.498 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -57.4 | -42.5 | 171.9 | 178.5 | -96.9 | 0 | 0 | 0 | 112.4 | P12 L14 V18 V19 M20 | P12-Y16 PolarHBondContact O-N 3.22Å; L14-Y16 VanDerWaalsContact C-N 3.29Å; L14-Y16 PolarHBondContact O-N 3.35Å; Y16-V18 PolarHBondContact O-N 3.45Å; Y16-V19 PolarHBondContact O-N 3.08Å; Y16-M20 HydrophobicContact CD1-CG 3.94Å; Y16-M20 HydrophobicContact CD2-CG 4.2Å; Y16-M20 HydrophobicContact CE1-CG 3.49Å; Y16-M20 VanDerWaalsContact CE1-CG 3.49Å; Y16-M20 HydrophobicContact CE1-SD 4.42Å; Y16-M20 HydrophobicContact CE2-CG 3.78Å; Y16-M20 HydrophobicContact CE2-SD 3.9Å; Y16-M20 HydrophobicContact CG-CG 4.27Å; Y16-M20 WeakPolarHBondContact O-CB 3.22Å; Y16-M20 WeakPolarHBondContact O-CG 3.38Å; Y16-M20 PolarHBondContact O-N 2.67Å |
| 17 | N | 66.1 | Low | 66.2 | Low | 25 Ų | 25 | 82 Ų | 82 | 13% | 0.134 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -63.4 | -40.7 | 176.9 | -66.9 | -42.4 | 0 | 0 | 0 | 112.4 | T13 L14 A15 M20 E21 | T13-N17 VanDerWaalsContact O-CG 3.28Å; T13-N17 PolarHBondContact O-N 3.31Å; T13-N17 VanDerWaalsContact O-N 3.13Å; T13-N17 PolarHBondContact O-ND2 2.9Å; L14-N17 WeakPolarHBondContact O-CA 3.3Å; L14-N17 WeakPolarHBondContact O-CB 3.33Å; L14-N17 PolarHBondContact O-N 3.26Å; A15-N17 VanDerWaalsContact C-N 3.32Å; A15-N17 PolarHBondContact O-N 2.55Å; N17-M20 PolarHBondContact O-N 3.24Å; N17-E21 PolarHBondContact O-N 3.4Å |
| 18 | V | 66.7 | Low | 67.4 | Low | 39 Ų | 39 | 76.3 Ų | 76.3 | 24% | 0.236 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63.9 | -45.9 | 176.2 | 175.5 | 0 | 0 | 0 | 0 | 111.1 | L14 A15 Y16 M20 E21 K22 W28 F43 | L14-V18 PolarHBondContact O-N 3.44Å; A15-V18 PolarHBondContact O-N 3.29Å; Y16-V18 PolarHBondContact O-N 3.45Å; V18-M20 VanDerWaalsContact C-N 3.33Å; V18-M20 PolarHBondContact O-N 3.27Å; V18-E21 PolarHBondContact O-N 2.84Å; V18-K22 PolarHBondContact O-N 3.01Å; V18-K22 VanDerWaalsContact O-N 3.13Å; V18-W28 HydrophobicContact CG2-CH2 3.77Å; V18-W28 HydrophobicContact CG2-CZ3 3.98Å; V18-F43 HydrophobicContact CG2-CE2 4.4Å; V18-F43 HydrophobicContact CG2-CZ 3.99Å |
| 19 | V | 68.6 | Low | 68.9 | Low | 83 Ų | 83 | 72.8 Ų | 72.8 | 50% | 0.503 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.7 | -44.5 | 176.3 | 172 | 0 | 0 | 0 | 0 | 110.5 | A15 Y16 E21 K22 V23 | A15-V19 WeakPolarHBondContact O-CG2 3.15Å; A15-V19 PolarHBondContact O-N 2.83Å; Y16-V19 PolarHBondContact O-N 3.08Å; V19-E21 VanDerWaalsContact C-N 3.33Å; V19-E21 PolarHBondContact O-N 3.47Å; V19-K22 PolarHBondContact O-N 3.2Å; V19-V23 HydrophobicContact CG1-CG2 4.13Å; V19-V23 WeakPolarHBondContact O-CB 3.21Å; V19-V23 VanDerWaalsContact O-CG2 3.27Å; V19-V23 WeakPolarHBondContact O-CG2 3.34Å; V19-V23 PolarHBondContact O-N 3Å |
| 20 | M | 62.2 | Low | 70.3 | Confident | 40 Ų | 40 | 69.1 Ų | 69.1 | 20% | 0.197 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.9 | -34.4 | 178.7 | -72 | -55 | -57.6 | 0 | 0 | 112.5 | Y16 N17 V18 S24 | Y16-M20 HydrophobicContact CD1-CG 3.94Å; Y16-M20 HydrophobicContact CD2-CG 4.2Å; Y16-M20 HydrophobicContact CE1-CG 3.49Å; Y16-M20 VanDerWaalsContact CE1-CG 3.49Å; Y16-M20 HydrophobicContact CE1-SD 4.42Å; Y16-M20 HydrophobicContact CE2-CG 3.78Å; Y16-M20 HydrophobicContact CE2-SD 3.9Å; Y16-M20 HydrophobicContact CG-CG 4.27Å; Y16-M20 WeakPolarHBondContact O-CB 3.22Å; Y16-M20 WeakPolarHBondContact O-CG 3.38Å; Y16-M20 PolarHBondContact O-N 2.67Å; N17-M20 PolarHBondContact O-N 3.24Å; V18-M20 VanDerWaalsContact C-N 3.33Å; V18-M20 PolarHBondContact O-N 3.27Å; M20-S24 VanDerWaalsContact O-CB 3.25Å; M20-S24 WeakPolarHBondContact O-CB 3.49Å; M20-S24 PolarHBondContact O-N 3.39Å; M20-S24 PolarHBondContact O-OG 2.94Å |
| 21 | E | 65.9 | Low | 71.7 | Confident | 64 Ų | 64 | 73.2 Ų | 73.2 | 30% | 0.299 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.1 | -46.3 | 172.1 | 177.4 | -116 | -171.5 | 0 | 0 | 111.3 | N17 V18 V19 V23 S24 R26 W28 | N17-E21 PolarHBondContact O-N 3.4Å; V18-E21 PolarHBondContact O-N 2.84Å; V19-E21 VanDerWaalsContact C-N 3.33Å; V19-E21 PolarHBondContact O-N 3.47Å; E21-V23 PolarHBondContact O-N 3.13Å; E21-S24 VanDerWaalsContact O-O 3.1Å; E21-R26 WeakPolarHBondContact CG-O 3.48Å; E21-W28 HydrophobicContact CB-CE3 3.95Å; E21-W28 HydrophobicContact CB-CZ3 4.18Å; E21-W28 HydrophobicContact CG-CB 4.48Å; E21-W28 HydrophobicContact CG-CE3 3.69Å; E21-W28 HydrophobicContact CG-CZ3 4.38Å |
| 22 | K | 61.1 | Low | 73.1 | Confident | 168 Ų | 168 | 69.5 Ų | 69.5 | 73% | 0.73 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -70.2 | -30.4 | 180 | -70.1 | -169.6 | 174.4 | -172.5 | 0 | 115 | V18 V19 | V18-K22 PolarHBondContact O-N 3.01Å; V18-K22 VanDerWaalsContact O-N 3.13Å; V19-K22 PolarHBondContact O-N 3.2Å |
| 23 | V | 58.3 | Low | 74.1 | Confident | 116 Ų | 116 | 67.4 Ų | 67.4 | 70% | 0.703 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -99.6 | -12.4 | -172.5 | 179.7 | 0 | 0 | 0 | 0 | 112.5 | V19 E21 | V19-V23 HydrophobicContact CG1-CG2 4.13Å; V19-V23 WeakPolarHBondContact O-CB 3.21Å; V19-V23 VanDerWaalsContact O-CG2 3.27Å; V19-V23 WeakPolarHBondContact O-CG2 3.34Å; V19-V23 PolarHBondContact O-N 3Å; E21-V23 PolarHBondContact O-N 3.13Å |
| 24 | S | 61.8 | Low | 75.4 | Confident | 40 Ų | 40 | 72.8 Ų | 72.8 | 28% | 0.28 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -121.8 | 173.4 | 178.6 | 76.6 | 0 | 0 | 0 | 0 | 112.3 | M20 E21 R26 | M20-S24 VanDerWaalsContact O-CB 3.25Å; M20-S24 WeakPolarHBondContact O-CB 3.49Å; M20-S24 PolarHBondContact O-N 3.39Å; M20-S24 PolarHBondContact O-OG 2.94Å; E21-S24 VanDerWaalsContact O-O 3.1Å; S24-R26 PolarHBondContact O-N 3.39Å; S24-R26 WeakPolarHBondContact OG-CB 3.41Å; S24-R26 VanDerWaalsContact OG-CD 3.3Å; S24-R26 WeakPolarHBondContact OG-CD 3.39Å; S24-R26 WeakPolarHBondContact OG-CG 3.1Å; S24-R26 PolarHBondContact OG-N 2.9Å |
| 25 | S | 63.4 | Low | 76.8 | Confident | 126 Ų | 126 | 72.6 Ų | 72.6 | 88% | 0.881 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -71.2 | 12.2 | 173.8 | 55.2 | 0 | 0 | 0 | 0 | 114.2 | R27 | S25-R27 PolarHBondContact O-N 3.44Š|
| 26 | R | 73.6 | Confident | 78.3 | Confident | 79 Ų | 79 | 70.1 Ų | 70.1 | 30% | 0.298 | 34% | 0.343 | S | S | . | . | trans | -79.6 | 111.1 | -175.9 | -71.2 | 175.1 | -173.9 | 175.8 | 5.3 | 110.6 | E21 S24 | E21-R26 WeakPolarHBondContact CG-O 3.48Å; S24-R26 PolarHBondContact O-N 3.39Å; S24-R26 WeakPolarHBondContact OG-CB 3.41Å; S24-R26 VanDerWaalsContact OG-CD 3.3Å; S24-R26 WeakPolarHBondContact OG-CD 3.39Å; S24-R26 WeakPolarHBondContact OG-CG 3.1Å; S24-R26 PolarHBondContact OG-N 2.9Å | ||
| 27 | R | 83.6 | Confident | 79.6 | Confident | 179 Ų | 179 | 64.1 Ų | 64.1 | 68% | 0.675 | 32% | 0.32 | S | S | * | . | trans | -68.6 | 144.7 | 172.1 | -59.8 | -173.7 | -178.3 | -175.9 | 0 | 111.8 | S25 F29 R157 | S25-R27 PolarHBondContact O-N 3.44Å; R27-F29 VanDerWaalsContact C-N 3.35Å; R27-F29 PolarHBondContact O-N 2.68Å; R27-R157 PolarHBondContact O-NH1 2.63Å | ||
| 28 | W | 87.1 | Confident | 81 | Confident | 18 Ų | 18 | 62.9 Ų | 62.9 | 7% | 0.068 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -59.1 | -46.1 | 178 | -165.7 | -98 | 0 | 0 | 0 | 112.2 | V18 E21 A40 L41 F43 M46 R157 | V18-W28 HydrophobicContact CG2-CH2 3.77Å; V18-W28 HydrophobicContact CG2-CZ3 3.98Å; E21-W28 HydrophobicContact CB-CE3 3.95Å; E21-W28 HydrophobicContact CB-CZ3 4.18Å; E21-W28 HydrophobicContact CG-CB 4.48Å; E21-W28 HydrophobicContact CG-CE3 3.69Å; E21-W28 HydrophobicContact CG-CZ3 4.38Å; W28-A40 HydrophobicContact CD2-CB 4.05Å; W28-A40 HydrophobicContact CH2-CB 4.17Å; W28-A40 HydrophobicContact CZ2-CB 3.66Å; W28-A40 PolarHBondContact O-N 3.15Å; W28-A40 VanDerWaalsContact O-N 3.17Å; W28-L41 VanDerWaalsContact CE2-O 3.3Å; W28-L41 VanDerWaalsContact CZ2-O 3.22Å; W28-L41 WeakPolarHBondContact CZ2-O 3.23Å; W28-L41 PolarHBondContact NE1-O 3.34Å; W28-F43 AromaticContact CE2-CE2 3.87Å; W28-F43 HydrophobicContact CH2-CD2 4.25Å; W28-F43 AromaticContact CH2-CE2 3.22Å; W28-F43 HydrophobicContact CH2-CE2 3.22Å; W28-F43 AromaticContact CH2-CZ 3.58Å; W28-F43 HydrophobicContact CH2-CZ 3.58Å; W28-F43 AromaticContact CZ2-CD2 3.75Å; W28-F43 HydrophobicContact CZ2-CD2 3.75Å; W28-F43 AromaticContact CZ2-CE2 3.1Å; W28-F43 HydrophobicContact CZ2-CE2 3.1Å; W28-F43 AromaticContact CZ2-CZ 3.63Å; W28-F43 HydrophobicContact CZ2-CZ 3.63Å; W28-F43 HydrophobicContact CZ3-CE2 4.02Å; W28-M46 HydrophobicContact CB-CE 4.37Å; W28-M46 VanDerWaalsContact CD1-SD 3.52Å; W28-M46 HydrophobicContact CG-CE 3.96Å; W28-M46 HydrophobicContact CG-SD 4.21Å; W28-M46 PolarHBondContact NE1-SD 2.73Å; W28-R157 PolarHBondContact O-NH1 3.4Å; W28-R157 PolarHBondContact O-NH2 2.72Å |
| 29 | F | 92.8 | Very high | 82.2 | Confident | 26 Ų | 26 | 61 Ų | 61 | 11% | 0.114 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 160.7 | 174.1 | 64.6 | -95.6 | 0 | 0 | 0 | 111.5 | R27 I37 L38 M46 L50 E54 Y120 | R27-F29 VanDerWaalsContact C-N 3.35Å; R27-F29 PolarHBondContact O-N 2.68Å; F29-I37 HydrophobicContact CB-CG2 4.01Å; F29-I37 HydrophobicContact CD2-CG2 3.45Å; F29-I37 VanDerWaalsContact CD2-CG2 3.45Å; F29-I37 HydrophobicContact CE2-CG2 4.26Å; F29-I37 HydrophobicContact CG-CG2 4.03Å; F29-L38 CarbonylContact C-O 3.19Å; F29-L38 VanDerWaalsContact CA-O 3.3Å; F29-L38 WeakPolarHBondContact CA-O 3.48Å; F29-M46 HydrophobicContact CD1-CE 3.66Å; F29-M46 HydrophobicContact CE1-CE 3.58Å; F29-L50 HydrophobicContact CD1-CD2 4.5Å; F29-L50 HydrophobicContact CE1-CD2 4.24Å; F29-L50 HydrophobicContact CZ-CD2 4.37Å; F29-E54 HydrophobicContact CE2-CG 4.26Å; F29-E54 WeakPolarHBondContact CE2-OE1 3.4Å; F29-E54 HydrophobicContact CZ-CG 4.34Å; F29-Y120 HydrophobicContact CB-CE2 3.63Å; F29-Y120 HydrophobicContact CD1-CE2 4.15Å; F29-Y120 AromaticContact CG-CE2 3.87Å; F29-Y120 HydrophobicContact CG-CE2 3.87Å |
| 30 | N | 94 | Very high | 83.2 | Confident | 23 Ų | 23 | 57.3 Ų | 57.3 | 12% | 0.123 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 136 | 174.4 | -65.7 | 89.9 | 0 | 0 | 0 | 108.8 | V32 L38 V156 R157 | N30-V32 PolarHBondContact O-N 3.24Å; N30-L38 PolarHBondContact N-O 3.31Å; N30-L38 PolarHBondContact O-N 3.04Å; N30-V156 HydrophobicContact CB-CG1 3.75Å; N30-V156 PolarHBondContact ND2-O 3.14Å; N30-R157 HydrophobicContact CB-CB 4.43Å; N30-R157 WeakPolarHBondContact OD1-CG 3.37Å; N30-R157 PolarHBondContact OD1-NH1 3.46Å |
| 31 | R | 94.9 | Very high | 84.5 | Confident | 90 Ų | 90 | 55.4 Ų | 55.4 | 34% | 0.34 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 126.1 | 169.3 | -177.2 | 166.1 | -83.1 | 109.3 | -7.9 | 109.4 | D33 I37 E54 V156 | R31-D33 WeakPolarHBondContact CD-O 3.23Å; R31-D33 WeakPolarHBondContact CG-O 3.2Å; R31-I37 HydrophobicContact CB-CG1 4.43Å; R31-I37 HydrophobicContact CG-CG1 4.38Å; R31-E54 IonicContact CZ-OE2 3.22Å; R31-E54 VanDerWaalsContact NH1-CD 3.27Å; R31-E54 IonicContact NH1-OE1 3.09Å; R31-E54 PolarHBondContact NH1-OE1 3.2Å; R31-E54 IonicContact NH1-OE2 3.9Å; R31-E54 PolarHBondContact NH1-OE2 2.88Å; R31-E54 PolarHBondContact NH2-O 3.06Å; R31-E54 VanDerWaalsContact NH2-O 3.15Å; R31-E54 IonicContact NH2-OE2 3.23Å; R31-E54 PolarHBondContact NH2-OE2 3.26Å; R31-V156 VanDerWaalsContact O-CG1 3.32Å; R31-V156 WeakPolarHBondContact O-CG1 3.49Å |
| 32 | V | 94.2 | Very high | 85.6 | Confident | 17 Ų | 17 | 52.3 Ų | 52.3 | 10% | 0.103 | 26% | 0.256 | C | S | . | . | trans | -87.5 | -45.7 | -179.9 | 177.1 | 0 | 0 | 0 | 0 | 110 | N30 V36 L38 I138 M152 L153 | N30-V32 PolarHBondContact O-N 3.24Å; V32-V36 HydrophobicContact CB-CB 4.39Å; V32-V36 HydrophobicContact CB-CG1 4.21Å; V32-V36 WeakPolarHBondContact CB-O 3.43Å; V32-V36 HydrophobicContact CG2-CG1 4.24Å; V32-V36 PolarHBondContact N-O 2.78Å; V32-L38 HydrophobicContact CG2-CB 3.74Å; V32-I138 HydrophobicContact CG1-CD1 3.88Å; V32-I138 HydrophobicContact CG1-CG1 4.26Å; V32-M152 HydrophobicContact CG1-CE 3.87Å; V32-M152 HydrophobicContact CG1-SD 4.2Å; V32-L153 HydrophobicContact CB-CD2 4.44Å; V32-L153 HydrophobicContact CG1-CD2 3.75Å; V32-L153 HydrophobicContact CG2-CD2 3.74Å | ||
| 33 | D | 94 | Very high | 86.8 | Confident | 35 Ų | 35 | 46.5 Ų | 46.5 | 19% | 0.187 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -150.3 | -164.8 | 173.2 | 79.1 | -15 | 0 | 0 | 0 | 110.7 | R31 T35 V36 R113 Y137 | R31-D33 WeakPolarHBondContact CD-O 3.23Å; R31-D33 WeakPolarHBondContact CG-O 3.2Å; D33-T35 PolarHBondContact O-N 2.92Å; D33-T35 VanDerWaalsContact O-N 3.1Å; D33-T35 PolarHBondContact OD1-N 3.4Å; D33-V36 PolarHBondContact N-O 2.88Å; D33-V36 PolarHBondContact OD1-N 3.44Å; D33-R113 IonicContact OD2-CZ 3.57Å; D33-R113 IonicContact OD2-NH1 2.68Å; D33-R113 PolarHBondContact OD2-NH1 2.77Å; D33-Y137 WeakPolarHBondContact OD2-CE1 3.34Å; D33-Y137 PolarHBondContact OD2-OH 2.91Å |
| 34 | Q | 93.3 | Very high | 88.2 | Confident | 171 Ų | 171 | 45.3 Ų | 45.3 | 80% | 0.799 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -60.9 | -19 | -179.8 | -67.9 | -179 | -18.2 | 0 | 0 | 114.2 | ||
| 35 | T | 96.2 | Very high | 89.5 | Confident | 6 Ų | 6 | 48.5 Ų | 48.5 | 4% | 0.037 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -113.6 | -50 | -176.3 | -57.5 | 0 | 0 | 0 | 0 | 111.8 | D33 R113 S118 V119 Y137 | D33-T35 PolarHBondContact O-N 2.92Å; D33-T35 VanDerWaalsContact O-N 3.1Å; D33-T35 PolarHBondContact OD1-N 3.4Å; T35-R113 HydrophobicContact CG2-CB 3.85Å; T35-R113 WeakPolarHBondContact OG1-CB 3.38Å; T35-R113 WeakPolarHBondContact OG1-CG 3.31Å; T35-S118 CarbonylContact O-C 3.56Å; T35-S118 WeakPolarHBondContact O-CA 3.28Å; T35-S118 WeakPolarHBondContact O-CB 3.49Å; T35-V119 HydrophobicContact CG2-CG2 4.38Å; T35-V119 PolarHBondContact O-N 3.49Å; T35-Y137 WeakPolarHBondContact CB-OH 3.37Å |
| 36 | V | 97.4 | Very high | 90.8 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 129.2 | -168.3 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | V32 D33 A109 V121 A134 Y137 | V32-V36 HydrophobicContact CB-CB 4.39Å; V32-V36 HydrophobicContact CB-CG1 4.21Å; V32-V36 WeakPolarHBondContact CB-O 3.43Å; V32-V36 HydrophobicContact CG2-CG1 4.24Å; V32-V36 PolarHBondContact N-O 2.78Å; D33-V36 PolarHBondContact N-O 2.88Å; D33-V36 PolarHBondContact OD1-N 3.44Å; V36-A109 HydrophobicContact CG2-CB 4.26Å; V36-V121 HydrophobicContact CG1-CG2 4Å; V36-A134 HydrophobicContact CG1-CB 4.4Å; V36-Y137 HydrophobicContact CB-CD1 4.21Å; V36-Y137 HydrophobicContact CB-CE1 4.07Å; V36-Y137 HydrophobicContact CG2-CD1 3.57Å; V36-Y137 HydrophobicContact CG2-CD2 4.01Å; V36-Y137 HydrophobicContact CG2-CE1 3.45Å; V36-Y137 VanDerWaalsContact CG2-CE1 3.45Å; V36-Y137 HydrophobicContact CG2-CE2 3.88Å; V36-Y137 HydrophobicContact CG2-CG 3.84Å |
| 37 | I | 97.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 127.1 | 170.6 | -54.5 | 174.2 | 0 | 0 | 0 | 108 | F29 R31 E54 V56 V119 Y120 V121 | F29-I37 HydrophobicContact CB-CG2 4.01Å; F29-I37 HydrophobicContact CD2-CG2 3.45Å; F29-I37 VanDerWaalsContact CD2-CG2 3.45Å; F29-I37 HydrophobicContact CE2-CG2 4.26Å; F29-I37 HydrophobicContact CG-CG2 4.03Å; R31-I37 HydrophobicContact CB-CG1 4.43Å; R31-I37 HydrophobicContact CG-CG1 4.38Å; I37-E54 HydrophobicContact CD1-CB 3.7Å; I37-E54 HydrophobicContact CD1-CG 4.28Å; I37-V56 HydrophobicContact CD1-CG2 3.8Å; I37-V119 PolarHBondContact N-O 3.41Å; I37-Y120 HydrophobicContact CB-CD2 4.02Å; I37-Y120 HydrophobicContact CG2-CD2 3.7Å; I37-Y120 HydrophobicContact CG2-CE2 3.91Å; I37-V121 PolarHBondContact O-N 2.99Å |
| 38 | L | 95.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 122.6 | -179.7 | 176.6 | 61.8 | 0 | 0 | 0 | 110.5 | F29 N30 V32 S130 A131 A134 L153 V160 | F29-L38 CarbonylContact C-O 3.19Å; F29-L38 VanDerWaalsContact CA-O 3.3Å; F29-L38 WeakPolarHBondContact CA-O 3.48Å; N30-L38 PolarHBondContact N-O 3.31Å; N30-L38 PolarHBondContact O-N 3.04Å; V32-L38 HydrophobicContact CG2-CB 3.74Å; L38-S130 WeakPolarHBondContact CD1-OG 3.3Å; L38-A131 HydrophobicContact CD2-CB 4.04Å; L38-A134 HydrophobicContact CD1-CB 4.44Å; L38-A134 HydrophobicContact CD2-CB 4.31Å; L38-L153 HydrophobicContact CD2-CD2 4.19Å; L38-V160 HydrophobicContact CD2-CG2 3.98Å |
| 39 | G | 91.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 178.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | Y120 V121 H122 G126 | G39-Y120 WeakPolarHBondContact CA-OH 3.27Å; G39-V121 PolarHBondContact N-O 2.94Å; G39-V121 VanDerWaalsContact N-O 3.1Å; G39-H122 WeakPolarHBondContact O-CA 3.47Å; G39-H122 WeakPolarHBondContact O-CB 3.45Å; G39-G126 WeakPolarHBondContact O-CA 3.45Å; G39-G126 PolarHBondContact O-N 3.22Å |
| 40 | A | 89.7 | Confident | 92.6 | Very high | 4 Ų | 4 | 38.9 Ų | 38.9 | 3% | 0.033 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -79.3 | -173.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | W28 Y120 H122 | W28-A40 HydrophobicContact CD2-CB 4.05Å; W28-A40 HydrophobicContact CH2-CB 4.17Å; W28-A40 HydrophobicContact CZ2-CB 3.66Å; W28-A40 PolarHBondContact O-N 3.15Å; W28-A40 VanDerWaalsContact O-N 3.17Å; A40-Y120 WeakPolarHBondContact O-CE1 3.43Å; A40-Y120 PolarHBondContact O-OH 3.3Å; A40-H122 WeakPolarHBondContact O-CB 3.45Å |
| 41 | L | 88.8 | Confident | 92.6 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -52.5 | 127.3 | -178.3 | -70.2 | 171.4 | 0 | 0 | 0 | 111.6 | F10 L14 W28 F43 N63 T68 C123 K124 | F10-L41 HydrophobicContact CZ-CD1 4Å; L14-L41 HydrophobicContact CD1-CD1 3.7Å; L14-L41 HydrophobicContact CD2-CD1 3.77Å; L14-L41 HydrophobicContact CG-CD1 4.41Å; W28-L41 VanDerWaalsContact CE2-O 3.3Å; W28-L41 VanDerWaalsContact CZ2-O 3.22Å; W28-L41 WeakPolarHBondContact CZ2-O 3.23Å; W28-L41 PolarHBondContact NE1-O 3.34Å; L41-F43 PolarHBondContact O-N 3.23Å; L41-N63 WeakPolarHBondContact CD2-OD1 3.4Å; L41-T68 HydrophobicContact CD2-CG2 4.21Å; L41-C123 WeakPolarHBondContact CD2-O 3.48Å; L41-K124 PolarHBondContact N-O 3.49Å | ||
| 42 | P | 88.6 | Confident | 92.6 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -77.2 | 104.6 | 176.8 | 30.1 | -31.1 | 0 | 0 | 0 | 109 | L50 C72 W78 Y120 H122 | P42-L50 HydrophobicContact CB-CD1 3.83Å; P42-C72 WeakPolarHBondContact O-CA 3.46Å; P42-W78 HydrophobicContact CB-CH2 4.39Å; P42-W78 HydrophobicContact CB-CZ2 3.97Å; P42-W78 HydrophobicContact CG-CZ2 3.89Å; P42-Y120 HydrophobicContact CB-CD1 4.25Å; P42-Y120 HydrophobicContact CB-CE1 3.83Å; P42-Y120 HydrophobicContact CG-CD1 4.29Å; P42-Y120 HydrophobicContact CG-CE1 4.02Å; P42-H122 VanDerWaalsContact CD-CE1 3.46Å; P42-H122 WeakPolarHBondContact CD-CE1 3.43Å; P42-H122 WeakPolarHBondContact CD-ND1 3.48Å | ||
| 43 | F | 87.3 | Confident | 92.6 | Very high | 45 Ų | 45 | 43.3 Ų | 43.3 | 20% | 0.197 | 23% | 0.226 | C | C | . | . | B | Isolated β-bridge | trans | -67 | 150.4 | 174.3 | -64 | -61.6 | 0 | 0 | 0 | 110.6 | V18 W28 L41 S45 M46 F71 | V18-F43 HydrophobicContact CG2-CE2 4.4Å; V18-F43 HydrophobicContact CG2-CZ 3.99Å; W28-F43 AromaticContact CE2-CE2 3.87Å; W28-F43 HydrophobicContact CH2-CD2 4.25Å; W28-F43 AromaticContact CH2-CE2 3.22Å; W28-F43 HydrophobicContact CH2-CE2 3.22Å; W28-F43 AromaticContact CH2-CZ 3.58Å; W28-F43 HydrophobicContact CH2-CZ 3.58Å; W28-F43 AromaticContact CZ2-CD2 3.75Å; W28-F43 HydrophobicContact CZ2-CD2 3.75Å; W28-F43 AromaticContact CZ2-CE2 3.1Å; W28-F43 HydrophobicContact CZ2-CE2 3.1Å; W28-F43 AromaticContact CZ2-CZ 3.63Å; W28-F43 HydrophobicContact CZ2-CZ 3.63Å; W28-F43 HydrophobicContact CZ3-CE2 4.02Å; L41-F43 PolarHBondContact O-N 3.23Å; F43-S45 PolarHBondContact O-N 3.31Å; F43-S45 VanDerWaalsContact O-N 3.08Å; F43-M46 HydrophobicContact CB-CG 4.18Å; F43-M46 HydrophobicContact CB-SD 4.35Å; F43-M46 HydrophobicContact CD2-SD 4.11Å; F43-M46 WeakPolarHBondContact O-CB 3.48Å; F43-M46 PolarHBondContact O-N 2.96Å; F43-F71 WeakPolarHBondContact CA-O 3.3Å; F43-F71 HydrophobicContact CD1-CB 3.93Å; F43-F71 HydrophobicContact CE1-CB 3.99Å; F43-F71 HydrophobicContact CE1-CD1 4.38Å; F43-F71 HydrophobicContact CE1-CG 4.33Å |
| 44 | K | 87.5 | Confident | 92.7 | Very high | 92 Ų | 92 | 43.2 Ų | 43.2 | 40% | 0.4 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -53.6 | -33.5 | 177.7 | -54.4 | -157.7 | 176.9 | -168.3 | 0 | 113.2 | M46 T47 F71 C72 N73 E77 | K44-M46 PolarHBondContact O-N 3.17Å; K44-T47 WeakPolarHBondContact O-CB 3.26Å; K44-T47 PolarHBondContact O-N 3.37Å; K44-T47 PolarHBondContact O-OG1 2.91Å; K44-F71 PolarHBondContact N-O 3.24Å; K44-C72 VanDerWaalsContact CE-O 3.27Å; K44-C72 WeakPolarHBondContact CE-O 3.46Å; K44-N73 VanDerWaalsContact CG-OD1 3.3Å; K44-N73 WeakPolarHBondContact CG-OD1 3.37Å; K44-E77 WeakPolarHBondContact CE-OE2 3.1Å; K44-E77 IonicContact NZ-OE1 3.93Å; K44-E77 PolarHBondContact NZ-OE1 2.77Å; K44-E77 IonicContact NZ-OE2 2.84Å; K44-E77 PolarHBondContact NZ-OE2 2.94Å |
| 45 | S | 88.4 | Confident | 92.8 | Very high | 106 Ų | 106 | 38.2 Ų | 38.2 | 74% | 0.741 | 20% | 0.203 | S | C | * | . | G | 310 helix | trans | -64.2 | -21.8 | 175.8 | 57.9 | 0 | 0 | 0 | 0 | 114.1 | F43 | F43-S45 PolarHBondContact O-N 3.31Å; F43-S45 VanDerWaalsContact O-N 3.08Å |
| 46 | M | 91.4 | Very high | 92.9 | Very high | 19 Ų | 19 | 37.9 Ų | 37.9 | 9% | 0.094 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -89.3 | -7.6 | -179.1 | -55.8 | -178.1 | 67.6 | 0 | 0 | 112.8 | W28 F29 F43 K44 N48 E49 L50 | W28-M46 HydrophobicContact CB-CE 4.37Å; W28-M46 VanDerWaalsContact CD1-SD 3.52Å; W28-M46 HydrophobicContact CG-CE 3.96Å; W28-M46 HydrophobicContact CG-SD 4.21Å; W28-M46 PolarHBondContact NE1-SD 2.73Å; F29-M46 HydrophobicContact CD1-CE 3.66Å; F29-M46 HydrophobicContact CE1-CE 3.58Å; F43-M46 HydrophobicContact CB-CG 4.18Å; F43-M46 HydrophobicContact CB-SD 4.35Å; F43-M46 HydrophobicContact CD2-SD 4.11Å; F43-M46 WeakPolarHBondContact O-CB 3.48Å; F43-M46 PolarHBondContact O-N 2.96Å; K44-M46 PolarHBondContact O-N 3.17Å; M46-N48 VanDerWaalsContact C-N 3.31Å; M46-N48 PolarHBondContact O-N 3.32Å; M46-E49 PolarHBondContact O-N 2.84Å; M46-L50 HydrophobicContact CB-CD1 4.28Å; M46-L50 HydrophobicContact CB-CG 4.47Å; M46-L50 WeakPolarHBondContact O-CG 3.27Å; M46-L50 PolarHBondContact O-N 3.36Å |
| 47 | T | 92.4 | Very high | 92.9 | Very high | 12 Ų | 12 | 41.7 Ų | 41.7 | 7% | 0.074 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.3 | -45.5 | -174.9 | -49.7 | 0 | 0 | 0 | 0 | 111.9 | K44 L50 V51 N73 W78 E81 | K44-T47 WeakPolarHBondContact O-CB 3.26Å; K44-T47 PolarHBondContact O-N 3.37Å; K44-T47 PolarHBondContact O-OG1 2.91Å; T47-L50 PolarHBondContact O-N 3.49Å; T47-V51 HydrophobicContact CG2-CG2 4.3Å; T47-V51 WeakPolarHBondContact O-CB 3.43Å; T47-V51 VanDerWaalsContact O-CG2 3.27Å; T47-V51 WeakPolarHBondContact O-CG2 3.42Å; T47-V51 PolarHBondContact O-N 2.99Å; T47-N73 WeakPolarHBondContact CG2-ND2 3.32Å; T47-N73 PolarHBondContact OG1-ND2 3.1Å; T47-W78 HydrophobicContact CG2-CE3 4.38Å; T47-W78 HydrophobicContact CG2-CH2 4.41Å; T47-W78 HydrophobicContact CG2-CZ3 3.83Å; T47-E81 HydrophobicContact CG2-CB 4.32Å; T47-E81 HydrophobicContact CG2-CG 3.8Å |
| 48 | N | 92.5 | Very high | 92.9 | Very high | 109 Ų | 109 | 41.7 Ų | 41.7 | 58% | 0.583 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -64.6 | -43.9 | -179.4 | -172.1 | -90.3 | 0 | 0 | 0 | 111.9 | M46 V51 Q52 | M46-N48 VanDerWaalsContact C-N 3.31Å; M46-N48 PolarHBondContact O-N 3.32Å; N48-V51 PolarHBondContact O-N 3.48Å; N48-Q52 VanDerWaalsContact O-CB 3.23Å; N48-Q52 WeakPolarHBondContact O-CB 3.46Å; N48-Q52 WeakPolarHBondContact O-CG 3.34Å; N48-Q52 PolarHBondContact O-N 3.42Å |
| 49 | E | 94.3 | Very high | 92.9 | Very high | 86 Ų | 86 | 41.7 Ų | 41.7 | 40% | 0.402 | 22% | 0.216 | S | C | . | . | I | π-helix | trans | -59.8 | -49.7 | 175.8 | -176.6 | -176.2 | -177.3 | 0 | 0 | 110.9 | M46 V51 T53 E54 | M46-E49 PolarHBondContact O-N 2.84Å; E49-V51 PolarHBondContact O-N 3.17Å; E49-T53 WeakPolarHBondContact O-CA 3.32Å; E49-T53 WeakPolarHBondContact O-CB 2.86Å; E49-T53 PolarHBondContact O-N 3.08Å; E49-E54 PolarHBondContact O-N 2.8Å; E49-E54 VanDerWaalsContact O-N 3.09Å |
| 50 | L | 94.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | I | π-helix | trans | -62.1 | -44.8 | -179.2 | -68.2 | 174.6 | 0 | 0 | 0 | 112.2 | F29 P42 M46 T47 E54 N55 V56 W78 Y120 | F29-L50 HydrophobicContact CD1-CD2 4.5Å; F29-L50 HydrophobicContact CE1-CD2 4.24Å; F29-L50 HydrophobicContact CZ-CD2 4.37Å; P42-L50 HydrophobicContact CB-CD1 3.83Å; M46-L50 HydrophobicContact CB-CD1 4.28Å; M46-L50 HydrophobicContact CB-CG 4.47Å; M46-L50 WeakPolarHBondContact O-CG 3.27Å; M46-L50 PolarHBondContact O-N 3.36Å; T47-L50 PolarHBondContact O-N 3.49Å; L50-E54 CarbonylContact O-C 3.58Å; L50-E54 WeakPolarHBondContact O-CA 3.36Å; L50-E54 WeakPolarHBondContact O-CB 3.48Å; L50-E54 PolarHBondContact O-N 2.93Å; L50-N55 PolarHBondContact O-N 2.99Å; L50-V56 HydrophobicContact CB-CB 4.24Å; L50-V56 HydrophobicContact CB-CG2 4.13Å; L50-V56 HydrophobicContact CD2-CG2 4.38Å; L50-V56 WeakPolarHBondContact O-CB 3.05Å; L50-V56 VanDerWaalsContact O-CG2 3.23Å; L50-V56 WeakPolarHBondContact O-CG2 3.4Å; L50-V56 PolarHBondContact O-N 3.45Å; L50-W78 HydrophobicContact CD1-CH2 4.07Å; L50-Y120 HydrophobicContact CD1-CD2 4.31Å; L50-Y120 HydrophobicContact CD1-CE2 4.4Å; L50-Y120 HydrophobicContact CD1-CG 4.43Å; L50-Y120 HydrophobicContact CD2-CD2 3.52Å; L50-Y120 HydrophobicContact CD2-CE2 3.65Å; L50-Y120 HydrophobicContact CD2-CG 4.32Å |
| 51 | V | 95.4 | Very high | 93.2 | Very high | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.012 | 21% | 0.214 | C | C | . | . | I | π-helix | trans | -78.6 | -46.2 | -174.8 | 176.6 | 0 | 0 | 0 | 0 | 111.9 | T47 N48 E49 N55 R57 W78 E81 V83 | T47-V51 HydrophobicContact CG2-CG2 4.3Å; T47-V51 WeakPolarHBondContact O-CB 3.43Å; T47-V51 VanDerWaalsContact O-CG2 3.27Å; T47-V51 WeakPolarHBondContact O-CG2 3.42Å; T47-V51 PolarHBondContact O-N 2.99Å; N48-V51 PolarHBondContact O-N 3.48Å; E49-V51 PolarHBondContact O-N 3.17Å; V51-N55 WeakPolarHBondContact O-CA 3.45Å; V51-N55 PolarHBondContact O-N 2.7Å; V51-R57 VanDerWaalsContact CG1-NH1 3.29Å; V51-W78 HydrophobicContact CG2-CZ3 4.31Å; V51-E81 HydrophobicContact CG2-CB 4.43Å; V51-V83 HydrophobicContact CG2-CG2 3.53Å |
| 52 | Q | 94.1 | Very high | 93.1 | Very high | 119 Ų | 119 | 41.6 Ų | 41.6 | 56% | 0.556 | 21% | 0.214 | S | C | * | . | I | π-helix | trans | -88.4 | -40.9 | -171 | -56.9 | -60.7 | -30 | 0 | 0 | 112.7 | N48 | N48-Q52 VanDerWaalsContact O-CB 3.23Å; N48-Q52 WeakPolarHBondContact O-CB 3.46Å; N48-Q52 WeakPolarHBondContact O-CG 3.34Å; N48-Q52 PolarHBondContact O-N 3.42Å |
| 53 | T | 94.1 | Very high | 92.6 | Very high | 103 Ų | 103 | 41.6 Ų | 41.6 | 63% | 0.632 | 21% | 0.214 | S | C | * | . | I | π-helix | trans | -87 | -45 | -178.7 | -52.4 | 0 | 0 | 0 | 0 | 110.4 | E49 | E49-T53 WeakPolarHBondContact O-CA 3.32Å; E49-T53 WeakPolarHBondContact O-CB 2.86Å; E49-T53 PolarHBondContact O-N 3.08Å |
| 54 | E | 95.6 | Very high | 91.8 | Very high | 32 Ų | 32 | 42 Ų | 42 | 15% | 0.15 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -95.2 | 1.7 | -172.5 | -55.1 | -66.7 | -144.6 | 0 | 0 | 114.6 | F29 R31 I37 E49 L50 V56 S118 | F29-E54 HydrophobicContact CE2-CG 4.26Å; F29-E54 WeakPolarHBondContact CE2-OE1 3.4Å; F29-E54 HydrophobicContact CZ-CG 4.34Å; R31-E54 IonicContact CZ-OE2 3.22Å; R31-E54 VanDerWaalsContact NH1-CD 3.27Å; R31-E54 IonicContact NH1-OE1 3.09Å; R31-E54 PolarHBondContact NH1-OE1 3.2Å; R31-E54 IonicContact NH1-OE2 3.9Å; R31-E54 PolarHBondContact NH1-OE2 2.88Å; R31-E54 PolarHBondContact NH2-O 3.06Å; R31-E54 VanDerWaalsContact NH2-O 3.15Å; R31-E54 IonicContact NH2-OE2 3.23Å; R31-E54 PolarHBondContact NH2-OE2 3.26Å; I37-E54 HydrophobicContact CD1-CB 3.7Å; I37-E54 HydrophobicContact CD1-CG 4.28Å; E49-E54 PolarHBondContact O-N 2.8Å; E49-E54 VanDerWaalsContact O-N 3.09Å; L50-E54 CarbonylContact O-C 3.58Å; L50-E54 WeakPolarHBondContact O-CA 3.36Å; L50-E54 WeakPolarHBondContact O-CB 3.48Å; L50-E54 PolarHBondContact O-N 2.93Å; E54-V56 HydrophobicContact CB-CG2 4.04Å; E54-V56 PolarHBondContact O-N 2.81Å; E54-S118 VanDerWaalsContact O-CB 3.23Å; E54-S118 WeakPolarHBondContact O-CB 3.19Å; E54-S118 PolarHBondContact O-OG 2.68Å; E54-S118 VanDerWaalsContact O-OG 3.06Å |
| 55 | N | 96.8 | Very high | 90.6 | Very high | 66 Ų | 66 | 43.7 Ų | 43.7 | 35% | 0.353 | 23% | 0.227 | S | C | . | . | trans | 49.1 | 39.2 | -178.5 | -169.7 | 31.3 | 0 | 0 | 0 | 112.9 | L50 V51 R57 G116 S118 | L50-N55 PolarHBondContact O-N 2.99Å; V51-N55 WeakPolarHBondContact O-CA 3.45Å; V51-N55 PolarHBondContact O-N 2.7Å; N55-R57 PolarHBondContact O-N 2.69Å; N55-G116 PolarHBondContact ND2-O 3.37Å; N55-S118 WeakPolarHBondContact O-CB 3.4Å; N55-S118 PolarHBondContact O-N 2.87Å | ||
| 56 | V | 97.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 119.8 | 177.3 | 175.7 | 0 | 0 | 0 | 0 | 109 | I37 L50 E54 G58 V83 S118 | I37-V56 HydrophobicContact CD1-CG2 3.8Å; L50-V56 HydrophobicContact CB-CB 4.24Å; L50-V56 HydrophobicContact CB-CG2 4.13Å; L50-V56 HydrophobicContact CD2-CG2 4.38Å; L50-V56 WeakPolarHBondContact O-CB 3.05Å; L50-V56 VanDerWaalsContact O-CG2 3.23Å; L50-V56 WeakPolarHBondContact O-CG2 3.4Å; L50-V56 PolarHBondContact O-N 3.45Å; E54-V56 HydrophobicContact CB-CG2 4.04Å; E54-V56 PolarHBondContact O-N 2.81Å; V56-G58 VanDerWaalsContact CG1-O 3.22Å; V56-G58 WeakPolarHBondContact CG1-O 3.43Å; V56-V83 HydrophobicContact CG1-CG1 4.35Å; V56-V83 WeakPolarHBondContact O-CG2 3.2Å; V56-S118 WeakPolarHBondContact CA-O 3.45Å |
| 57 | R | 97.5 | Very high | 87.9 | Confident | 81 Ų | 81 | 41.5 Ų | 41.5 | 31% | 0.306 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | -8.1 | 173.8 | -57.7 | -63.3 | 172.5 | -167.7 | -4.4 | 113 | V51 N55 E81 G82 V83 E84 H112 S118 | V51-R57 VanDerWaalsContact CG1-NH1 3.29Å; N55-R57 PolarHBondContact O-N 2.69Å; R57-E81 PolarHBondContact NH1-O 3.39Å; R57-G82 WeakPolarHBondContact CD-O 3.28Å; R57-V83 WeakPolarHBondContact O-CA 3.39Å; R57-E84 PolarHBondContact O-N 3.37Å; R57-H112 PolarHBondContact O-CE1 3.24Å; R57-S118 PolarHBondContact N-O 3.17Å |
| 58 | G | 97 | Very high | 86.5 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 143.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | V56 E84 H112 S118 V119 Y120 | V56-G58 VanDerWaalsContact CG1-O 3.22Å; V56-G58 WeakPolarHBondContact CG1-O 3.43Å; G58-E84 CarbonylContact C-O 3.47Å; G58-E84 WeakPolarHBondContact CA-O 3.05Å; G58-H112 WeakPolarHBondContact CA-NE2 3.39Å; G58-S118 PolarHBondContact N-O 2.92Å; G58-V119 CarbonylContact O-C 3.49Å; G58-V119 VanDerWaalsContact O-CA 3.25Å; G58-V119 WeakPolarHBondContact O-CA 3.34Å; G58-Y120 PolarHBondContact O-N 3.38Å |
| 59 | V | 96.8 | Very high | 85 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 126.7 | 171.4 | 61.8 | 0 | 0 | 0 | 0 | 110.1 | W78 V83 E84 Q85 L86 Y120 | V59-W78 HydrophobicContact CG1-CD2 4.06Å; V59-W78 HydrophobicContact CG1-CG 4Å; V59-W78 HydrophobicContact CG2-CZ2 4.43Å; V59-V83 HydrophobicContact CB-CG1 4.2Å; V59-V83 HydrophobicContact CG1-CG1 3.97Å; V59-E84 PolarHBondContact N-O 3.4Å; V59-Q85 HydrophobicContact CG1-CB 3.64Å; V59-Q85 HydrophobicContact CG1-CG 3.88Å; V59-Q85 WeakPolarHBondContact O-CA 3.22Å; V59-L86 PolarHBondContact O-N 3.23Å; V59-Y120 CarbonylContact C-O 3.52Å; V59-Y120 WeakPolarHBondContact CA-O 3.33Å; V59-Y120 HydrophobicContact CG2-CD1 4.28Å |
| 60 | I | 95.5 | Very high | 83.7 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 112.6 | 174.3 | -52.1 | -179 | 0 | 0 | 0 | 108.9 | M62 L86 L88 G105 F108 V119 Y120 V121 H122 L133 | I60-M62 HydrophobicContact CG2-CG 4.22Å; I60-L86 CarbonylContact C-O 3.59Å; I60-L86 WeakPolarHBondContact CA-O 3.49Å; I60-L88 HydrophobicContact CG2-CD1 3.81Å; I60-L88 HydrophobicContact CG2-CG 4.27Å; I60-G105 VanDerWaalsContact CD1-O 3.25Å; I60-G105 WeakPolarHBondContact CD1-O 3.44Å; I60-F108 HydrophobicContact CD1-CD1 3.85Å; I60-F108 HydrophobicContact CG1-CD1 3.62Å; I60-F108 HydrophobicContact CG1-CE1 3.96Å; I60-V119 HydrophobicContact CD1-CG1 3.99Å; I60-V119 HydrophobicContact CG1-CG1 3.75Å; I60-Y120 PolarHBondContact N-O 3.41Å; I60-V121 HydrophobicContact CB-CG1 4.31Å; I60-V121 HydrophobicContact CB-CG2 4.39Å; I60-V121 HydrophobicContact CD1-CG2 4.06Å; I60-V121 HydrophobicContact CG1-CG2 4.38Å; I60-H122 PolarHBondContact O-CD2 2.85Å; I60-H122 PolarHBondContact O-N 3.31Å; I60-L133 HydrophobicContact CB-CD2 4.33Å; I60-L133 HydrophobicContact CD1-CD2 3.68Å; I60-L133 HydrophobicContact CG2-CD2 3.65Å |
| 61 | T | 92.3 | Very high | 82.7 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 106.5 | 179.9 | -61.4 | 0 | 0 | 0 | 0 | 109.8 | N63 T68 Q85 L86 R87 L88 H122 | T61-N63 VanDerWaalsContact C-N 3.26Å; T61-N63 HydrophobicContact CG2-CB 3.92Å; T61-N63 PolarHBondContact O-N 3.45Å; T61-T68 HydrophobicContact CG2-CG2 3.97Å; T61-Q85 PolarHBondContact OG1-NE2 3.42Å; T61-L86 PolarHBondContact N-O 2.98Å; T61-R87 HydrophobicContact CG2-CG 4.44Å; T61-R87 WeakPolarHBondContact O-CA 3.45Å; T61-L88 PolarHBondContact O-N 3.22Å; T61-H122 PolarHBondContact OG1-NE2 2.8Å |
| 62 | M | 85.8 | Confident | 82.1 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -95.1 | 36.1 | 176.7 | -57.8 | -169.9 | 76.6 | 0 | 0 | 112.6 | I60 L88 T90 P97 H122 C123 R129 S130 L133 | I60-M62 HydrophobicContact CG2-CG 4.22Å; M62-L88 WeakPolarHBondContact CA-O 3.32Å; M62-T90 HydrophobicContact CE-CG2 4.22Å; M62-P97 HydrophobicContact CE-CB 3.66Å; M62-P97 HydrophobicContact CE-CG 3.99Å; M62-H122 WeakPolarHBondContact CB-O 3.37Å; M62-H122 PolarHBondContact N-O 2.8Å; M62-C123 HydrophobicContact CB-CB 4.34Å; M62-R129 HydrophobicContact CB-CB 4.24Å; M62-R129 HydrophobicContact CE-CB 4.32Å; M62-R129 PolarHBondContact O-NH1 2.93Å; M62-R129 VanDerWaalsContact SD-C 3.52Å; M62-R129 HydrophobicContact SD-CB 4.34Å; M62-R129 VanDerWaalsContact SD-O 3.37Å; M62-S130 VanDerWaalsContact SD-CA 3.5Å; M62-L133 HydrophobicContact CE-CB 4.28Å; M62-L133 HydrophobicContact SD-CB 3.71Å; M62-L133 HydrophobicContact SD-CD2 4.01Å; M62-L133 HydrophobicContact SD-CG 4.47Å | ||
| 63 | N | 78.9 | Confident | 81.7 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -120.1 | 155.6 | -175.9 | -76.6 | 109.3 | 0 | 0 | 0 | 111 | L41 T61 E67 T68 H122 C123 K124 | L41-N63 WeakPolarHBondContact CD2-OD1 3.4Å; T61-N63 VanDerWaalsContact C-N 3.26Å; T61-N63 HydrophobicContact CG2-CB 3.92Å; T61-N63 PolarHBondContact O-N 3.45Å; N63-E67 VanDerWaalsContact CA-OE2 3.26Å; N63-E67 WeakPolarHBondContact CA-OE2 3.39Å; N63-E67 HydrophobicContact CB-CB 4.08Å; N63-E67 WeakPolarHBondContact CB-OE2 3.39Å; N63-E67 VanDerWaalsContact ND2-CD 3.27Å; N63-E67 PolarHBondContact ND2-OE2 2.62Å; N63-T68 HydrophobicContact CB-CG2 3.95Å; N63-H122 PolarHBondContact OD1-ND1 3.3Å; N63-C123 WeakPolarHBondContact OD1-CA 3.48Å; N63-C123 PolarHBondContact OD1-O 2.93Å; N63-K124 PolarHBondContact ND2-N 2.87Å; N63-K124 PolarHBondContact OD1-N 2.92Å |
| 64 | E | 70.4 | Confident | 81.4 | Confident | 55 Ų | 55 | 42.7 Ų | 42.7 | 26% | 0.257 | 19% | 0.192 | S | C | . | . | trans | -74.1 | 151.9 | 167.1 | -69.1 | -64.7 | 159.1 | 0 | 0 | 110.5 | Y66 E67 | E64-Y66 HydrophobicContact CB-CD1 3.6Å; E64-Y66 HydrophobicContact CB-CE1 3.27Å; E64-Y66 HydrophobicContact CG-CE1 3.82Å; E64-Y66 PolarHBondContact O-N 3.18Å; E64-Y66 VanDerWaalsContact O-N 3.13Å; E64-E67 HydrophobicContact CB-CG 4.27Å; E64-E67 PolarHBondContact N-OE2 3.1Å; E64-E67 VanDerWaalsContact O-CB 3.28Å; E64-E67 WeakPolarHBondContact O-CB 3.36Å; E64-E67 PolarHBondContact O-N 3.07Å | ||
| 65 | E | 62.9 | Low | 81 | Confident | 127 Ų | 127 | 43.2 Ų | 43.2 | 59% | 0.593 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -57.9 | -33.9 | -173 | -174.7 | 150.6 | -115.8 | 0 | 0 | 114 | E67 T68 K69 R87 | E65-E67 PolarHBondContact O-N 3.35Å; E65-T68 PolarHBondContact O-N 3.41Å; E65-T68 PolarHBondContact O-OG1 2.82Å; E65-T68 VanDerWaalsContact O-OG1 3.13Å; E65-K69 PolarHBondContact O-N 3.48Å; E65-R87 VanDerWaalsContact CB-NH1 3.3Å; E65-R87 VanDerWaalsContact CD-NH1 3.29Å; E65-R87 VanDerWaalsContact CG-NH1 3.31Å; E65-R87 IonicContact OE1-CZ 2.92Å; E65-R87 IonicContact OE1-NH1 3.9Å; E65-R87 PolarHBondContact OE1-NH1 3.37Å |
| 66 | Y | 62.8 | Low | 80.6 | Confident | 69 Ų | 69 | 46.6 Ų | 46.6 | 27% | 0.271 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -69.6 | -21.9 | 177.5 | 72 | -95.2 | 0 | 0 | 0 | 113 | R7 E64 T68 | R7-Y66 HydrophobicContact CB-CE2 4.42Å; R7-Y66 HydrophobicContact CG-CD2 3.76Å; R7-Y66 HydrophobicContact CG-CE1 4.45Å; R7-Y66 HydrophobicContact CG-CE2 3.57Å; R7-Y66 HydrophobicContact CG-CG 4.3Å; E64-Y66 HydrophobicContact CB-CD1 3.6Å; E64-Y66 HydrophobicContact CB-CE1 3.27Å; E64-Y66 HydrophobicContact CG-CE1 3.82Å; E64-Y66 PolarHBondContact O-N 3.18Å; E64-Y66 VanDerWaalsContact O-N 3.13Å; Y66-T68 VanDerWaalsContact C-N 3.32Å |
| 67 | E | 59 | Low | 80.4 | Confident | 10 Ų | 10 | 50.1 Ų | 50.1 | 5% | 0.047 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -76.2 | -22.6 | 179 | -63.1 | -174.4 | 108 | 0 | 0 | 111.4 | F10 N63 E64 E65 R129 | F10-E67 HydrophobicContact CD2-CB 4.23Å; F10-E67 HydrophobicContact CD2-CG 3.67Å; F10-E67 WeakPolarHBondContact CD2-OE1 3.47Å; F10-E67 HydrophobicContact CE1-CB 4.24Å; F10-E67 HydrophobicContact CE2-CB 3.45Å; F10-E67 VanDerWaalsContact CE2-CB 3.45Å; F10-E67 HydrophobicContact CE2-CG 3.35Å; F10-E67 WeakPolarHBondContact CE2-OE1 3.5Å; F10-E67 HydrophobicContact CG-CG 4.43Å; F10-E67 HydrophobicContact CZ-CB 3.47Å; F10-E67 VanDerWaalsContact CZ-CB 3.47Å; F10-E67 HydrophobicContact CZ-CG 3.88Å; F10-E67 WeakPolarHBondContact CZ-O 3.41Å; N63-E67 VanDerWaalsContact CA-OE2 3.26Å; N63-E67 WeakPolarHBondContact CA-OE2 3.39Å; N63-E67 HydrophobicContact CB-CB 4.08Å; N63-E67 WeakPolarHBondContact CB-OE2 3.39Å; N63-E67 VanDerWaalsContact ND2-CD 3.27Å; N63-E67 PolarHBondContact ND2-OE2 2.62Å; E64-E67 HydrophobicContact CB-CG 4.27Å; E64-E67 PolarHBondContact N-OE2 3.1Å; E64-E67 VanDerWaalsContact O-CB 3.28Å; E64-E67 WeakPolarHBondContact O-CB 3.36Å; E64-E67 PolarHBondContact O-N 3.07Å; E65-E67 PolarHBondContact O-N 3.35Å; E67-R129 IonicContact OE1-NH2 2.93Å; E67-R129 PolarHBondContact OE1-NH2 3.06Å; E67-R129 IonicContact OE2-CZ 2.63Å; E67-R129 IonicContact OE2-NH1 2.68Å; E67-R129 PolarHBondContact OE2-NH1 3.13Å; E67-R129 IonicContact OE2-NH2 3.34Å |
| 68 | T | 63 | Low | 80.3 | Confident | 6 Ų | 6 | 46.2 Ų | 46.2 | 4% | 0.037 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -107.9 | -22.3 | -174.2 | 52.4 | 0 | 0 | 0 | 0 | 114.1 | L41 T61 N63 E65 Y66 Y70 F71 C72 | L41-T68 HydrophobicContact CD2-CG2 4.21Å; T61-T68 HydrophobicContact CG2-CG2 3.97Å; N63-T68 HydrophobicContact CB-CG2 3.95Å; E65-T68 PolarHBondContact O-N 3.41Å; E65-T68 PolarHBondContact O-OG1 2.82Å; E65-T68 VanDerWaalsContact O-OG1 3.13Å; Y66-T68 VanDerWaalsContact C-N 3.32Å; T68-Y70 PolarHBondContact O-N 2.9Å; T68-F71 PolarHBondContact O-N 2.89Å; T68-C72 HydrophobicContact CG2-CB 4.32Å; T68-C72 PolarHBondContact O-N 3.34Å; T68-C72 VanDerWaalsContact O-N 3.08Å |
| 69 | K | 61.6 | Low | 80.1 | Confident | 148 Ų | 148 | 54.1 Ų | 54.1 | 64% | 0.643 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | -31.1 | -165.1 | -169.5 | 170.8 | -176.9 | 175.1 | 0 | 116.4 | E65 | E65-K69 PolarHBondContact O-N 3.48Š|
| 70 | Y | 66.3 | Low | 80 | Confident | 158 Ų | 158 | 58.1 Ų | 58.1 | 62% | 0.62 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.9 | -20.5 | -174.4 | -64.2 | -72.6 | 0 | 0 | 0 | 114.7 | T68 | T68-Y70 PolarHBondContact O-N 2.9Š|
| 71 | F | 73.8 | Confident | 79.9 | Confident | 86 Ų | 86 | 62.4 Ų | 62.4 | 38% | 0.377 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.4 | -27.2 | -166.5 | -64.7 | -65.3 | 0 | 0 | 0 | 113.6 | Y11 L14 F43 K44 T68 | Y11-F71 HydrophobicContact CD1-CE2 4.22Å; Y11-F71 HydrophobicContact CE1-CE2 4Å; L14-F71 HydrophobicContact CD2-CD2 4.34Å; L14-F71 HydrophobicContact CD2-CE2 4.46Å; F43-F71 WeakPolarHBondContact CA-O 3.3Å; F43-F71 HydrophobicContact CD1-CB 3.93Å; F43-F71 HydrophobicContact CE1-CB 3.99Å; F43-F71 HydrophobicContact CE1-CD1 4.38Å; F43-F71 HydrophobicContact CE1-CG 4.33Å; K44-F71 PolarHBondContact N-O 3.24Å; T68-F71 PolarHBondContact O-N 2.89Å |
| 72 | C | 82.9 | Confident | 80 | Confident | 6 Ų | 6 | 64.6 Ų | 64.6 | 4% | 0.041 | 33% | 0.328 | C | S | . | . | B | Isolated β-bridge | trans | -103.9 | 162.8 | -178.4 | -57 | 0 | 0 | 0 | 0 | 110.5 | P42 K44 T68 | P42-C72 WeakPolarHBondContact O-CA 3.46Å; K44-C72 VanDerWaalsContact CE-O 3.27Å; K44-C72 WeakPolarHBondContact CE-O 3.46Å; T68-C72 HydrophobicContact CG2-CB 4.32Å; T68-C72 PolarHBondContact O-N 3.34Å; T68-C72 VanDerWaalsContact O-N 3.08Å |
| 73 | N | 85.3 | Confident | 80.5 | Confident | 10 Ų | 10 | 64.7 Ų | 64.7 | 5% | 0.053 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 143.7 | 169.6 | -63.6 | -28.4 | 0 | 0 | 0 | 111 | K44 T47 E77 W78 | K44-N73 VanDerWaalsContact CG-OD1 3.3Å; K44-N73 WeakPolarHBondContact CG-OD1 3.37Å; T47-N73 WeakPolarHBondContact CG2-ND2 3.32Å; T47-N73 PolarHBondContact OG1-ND2 3.1Å; N73-E77 VanDerWaalsContact CA-OE2 3.26Å; N73-E77 WeakPolarHBondContact CA-OE2 3.42Å; N73-E77 HydrophobicContact CB-CB 3.8Å; N73-W78 HydrophobicContact CB-CD2 3.91Å; N73-W78 HydrophobicContact CB-CG 3.93Å; N73-W78 HydrophobicContact CB-CZ2 4.26Å |
| 74 | S | 87.5 | Confident | 81.3 | Confident | 41 Ų | 41 | 69.8 Ų | 69.8 | 29% | 0.287 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 171.1 | 165.6 | 84.2 | 0 | 0 | 0 | 0 | 111.2 | E76 E77 W78 | S74-E76 VanDerWaalsContact CB-OE2 3.24Å; S74-E76 WeakPolarHBondContact CB-OE2 2.98Å; S74-E76 PolarHBondContact O-N 2.79Å; S74-E76 PolarHBondContact OG-N 3.43Å; S74-E76 PolarHBondContact OG-OE2 2.99Å; S74-E77 PolarHBondContact N-OE2 3.28Å; S74-E77 PolarHBondContact O-N 3.25Å; S74-E77 PolarHBondContact OG-N 3.25Å; S74-W78 VanDerWaalsContact O-CD1 3.28Å; S74-W78 PolarHBondContact O-N 3.01Å |
| 75 | A | 87.9 | Confident | 82.5 | Confident | 44 Ų | 44 | 69 Ų | 69 | 36% | 0.364 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.5 | -36.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | K79 | A75-K79 VanDerWaalsContact O-CB 3.28Å; A75-K79 WeakPolarHBondContact O-CB 3.43Å; A75-K79 PolarHBondContact O-N 2.92Å |
| 76 | E | 89.4 | Confident | 84 | Confident | 136 Ų | 136 | 64.1 Ų | 64.1 | 64% | 0.636 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -69.4 | -42.4 | 177.5 | -56.3 | 73 | -157 | 0 | 0 | 111.6 | S74 K79 A80 | S74-E76 VanDerWaalsContact CB-OE2 3.24Å; S74-E76 WeakPolarHBondContact CB-OE2 2.98Å; S74-E76 PolarHBondContact O-N 2.79Å; S74-E76 PolarHBondContact OG-N 3.43Å; S74-E76 PolarHBondContact OG-OE2 2.99Å; E76-K79 PolarHBondContact O-N 2.85Å; E76-A80 WeakPolarHBondContact O-CB 3.39Å; E76-A80 PolarHBondContact O-N 2.88Å |
| 77 | E | 91.9 | Very high | 85.3 | Confident | 74 Ų | 74 | 63.8 Ų | 63.8 | 35% | 0.346 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.1 | -42.9 | 176.1 | -70.9 | 176.9 | 134.2 | 0 | 0 | 111.1 | K44 N73 S74 K79 A80 E81 | K44-E77 WeakPolarHBondContact CE-OE2 3.1Å; K44-E77 IonicContact NZ-OE1 3.93Å; K44-E77 PolarHBondContact NZ-OE1 2.77Å; K44-E77 IonicContact NZ-OE2 2.84Å; K44-E77 PolarHBondContact NZ-OE2 2.94Å; N73-E77 VanDerWaalsContact CA-OE2 3.26Å; N73-E77 WeakPolarHBondContact CA-OE2 3.42Å; N73-E77 HydrophobicContact CB-CB 3.8Å; S74-E77 PolarHBondContact N-OE2 3.28Å; S74-E77 PolarHBondContact O-N 3.25Å; S74-E77 PolarHBondContact OG-N 3.25Å; E77-K79 VanDerWaalsContact C-N 3.35Å; E77-K79 PolarHBondContact O-N 2.85Å; E77-A80 PolarHBondContact O-N 2.9Å; E77-E81 PolarHBondContact O-N 2.87Å |
| 78 | W | 94.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.2 | -44.2 | 172.6 | -82.1 | 124.4 | 0 | 0 | 0 | 112.2 | P42 T47 L50 V51 V59 N73 S74 A80 E81 G82 V83 | P42-W78 HydrophobicContact CB-CH2 4.39Å; P42-W78 HydrophobicContact CB-CZ2 3.97Å; P42-W78 HydrophobicContact CG-CZ2 3.89Å; T47-W78 HydrophobicContact CG2-CE3 4.38Å; T47-W78 HydrophobicContact CG2-CH2 4.41Å; T47-W78 HydrophobicContact CG2-CZ3 3.83Å; L50-W78 HydrophobicContact CD1-CH2 4.07Å; V51-W78 HydrophobicContact CG2-CZ3 4.31Å; V59-W78 HydrophobicContact CG1-CD2 4.06Å; V59-W78 HydrophobicContact CG1-CG 4Å; V59-W78 HydrophobicContact CG2-CZ2 4.43Å; N73-W78 HydrophobicContact CB-CD2 3.91Å; N73-W78 HydrophobicContact CB-CG 3.93Å; N73-W78 HydrophobicContact CB-CZ2 4.26Å; S74-W78 VanDerWaalsContact O-CD1 3.28Å; S74-W78 PolarHBondContact O-N 3.01Å; W78-A80 VanDerWaalsContact C-N 3.31Å; W78-A80 PolarHBondContact O-N 3.1Å; W78-E81 CarbonylContact O-C 3.55Å; W78-E81 PolarHBondContact O-N 3.41Å; W78-E81 VanDerWaalsContact O-N 3.1Å; W78-G82 PolarHBondContact O-N 2.79Å; W78-V83 CarbonylContact C-O 3.45Å; W78-V83 HydrophobicContact CB-CB 4.17Å; W78-V83 HydrophobicContact CD2-CB 4.26Å; W78-V83 HydrophobicContact CD2-CG1 4.18Å; W78-V83 HydrophobicContact CE3-CB 3.6Å; W78-V83 HydrophobicContact CE3-CG1 3.74Å; W78-V83 HydrophobicContact CE3-CG2 3.69Å; W78-V83 HydrophobicContact CZ3-CB 4.35Å; W78-V83 HydrophobicContact CZ3-CG1 4.28Å; W78-V83 HydrophobicContact CZ3-CG2 4.04Å; W78-V83 WeakPolarHBondContact O-CA 3.46Å; W78-V83 WeakPolarHBondContact O-CB 3.24Å; W78-V83 PolarHBondContact O-N 2.78Å |
| 79 | K | 93.6 | Very high | 87.1 | Confident | 165 Ų | 165 | 65.5 Ų | 65.5 | 72% | 0.717 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -63.5 | -37.1 | 179.3 | -172.6 | 176.8 | -178.4 | 179.5 | 0 | 112.2 | A75 E76 E77 E81 G82 V83 | A75-K79 VanDerWaalsContact O-CB 3.28Å; A75-K79 WeakPolarHBondContact O-CB 3.43Å; A75-K79 PolarHBondContact O-N 2.92Å; E76-K79 PolarHBondContact O-N 2.85Å; E77-K79 VanDerWaalsContact C-N 3.35Å; E77-K79 PolarHBondContact O-N 2.85Å; K79-E81 PolarHBondContact O-N 3.26Å; K79-G82 PolarHBondContact O-N 3.02Å; K79-V83 PolarHBondContact N-O 2.84Å |
| 80 | A | 93.9 | Very high | 87.3 | Confident | 85 Ų | 85 | 58.9 Ų | 58.9 | 70% | 0.702 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -61.5 | -32.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | E76 E77 W78 G82 | E76-A80 WeakPolarHBondContact O-CB 3.39Å; E76-A80 PolarHBondContact O-N 2.88Å; E77-A80 PolarHBondContact O-N 2.9Å; W78-A80 VanDerWaalsContact C-N 3.31Å; W78-A80 PolarHBondContact O-N 3.1Å; A80-G82 VanDerWaalsContact C-N 3.27Å; A80-G82 PolarHBondContact O-N 3.36Å |
| 81 | E | 94 | Very high | 86.7 | Confident | 90 Ų | 90 | 57.8 Ų | 57.8 | 42% | 0.421 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 6.1 | 175.4 | -62.2 | -66.3 | 147.9 | 0 | 0 | 113.3 | T47 V51 R57 E77 W78 K79 V83 | T47-E81 HydrophobicContact CG2-CB 4.32Å; T47-E81 HydrophobicContact CG2-CG 3.8Å; V51-E81 HydrophobicContact CG2-CB 4.43Å; R57-E81 PolarHBondContact NH1-O 3.39Å; E77-E81 PolarHBondContact O-N 2.87Å; W78-E81 CarbonylContact O-C 3.55Å; W78-E81 PolarHBondContact O-N 3.41Å; W78-E81 VanDerWaalsContact O-N 3.1Å; K79-E81 PolarHBondContact O-N 3.26Å; E81-V83 HydrophobicContact CB-CG2 4.43Å |
| 82 | G | 94 | Very high | 85.4 | Confident | 46 Ų | 46 | 58.6 Ų | 58.6 | 47% | 0.474 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | 30.6 | -179 | 0 | 0 | 0 | 0 | 0 | 113.6 | R57 W78 K79 A80 | R57-G82 WeakPolarHBondContact CD-O 3.28Å; W78-G82 PolarHBondContact O-N 2.79Å; K79-G82 PolarHBondContact O-N 3.02Å; A80-G82 VanDerWaalsContact C-N 3.27Å; A80-G82 PolarHBondContact O-N 3.36Å |
| 83 | V | 96.6 | Very high | 83.7 | Confident | 3 Ų | 3 | 64.9 Ų | 64.9 | 2% | 0.018 | 36% | 0.36 | C | S | . | . | trans | -113.6 | 129 | 177.1 | -174.4 | 0 | 0 | 0 | 0 | 110 | V51 V56 R57 V59 W78 K79 E81 | V51-V83 HydrophobicContact CG2-CG2 3.53Å; V56-V83 HydrophobicContact CG1-CG1 4.35Å; V56-V83 WeakPolarHBondContact O-CG2 3.2Å; R57-V83 WeakPolarHBondContact O-CA 3.39Å; V59-V83 HydrophobicContact CB-CG1 4.2Å; V59-V83 HydrophobicContact CG1-CG1 3.97Å; W78-V83 CarbonylContact C-O 3.45Å; W78-V83 HydrophobicContact CB-CB 4.17Å; W78-V83 HydrophobicContact CD2-CB 4.26Å; W78-V83 HydrophobicContact CD2-CG1 4.18Å; W78-V83 HydrophobicContact CE3-CB 3.6Å; W78-V83 HydrophobicContact CE3-CG1 3.74Å; W78-V83 HydrophobicContact CE3-CG2 3.69Å; W78-V83 HydrophobicContact CZ3-CB 4.35Å; W78-V83 HydrophobicContact CZ3-CG1 4.28Å; W78-V83 HydrophobicContact CZ3-CG2 4.04Å; W78-V83 WeakPolarHBondContact O-CA 3.46Å; W78-V83 WeakPolarHBondContact O-CB 3.24Å; W78-V83 PolarHBondContact O-N 2.78Å; K79-V83 PolarHBondContact N-O 2.84Å; E81-V83 HydrophobicContact CB-CG2 4.43Å | ||
| 84 | E | 96.2 | Very high | 82.5 | Confident | 106 Ų | 106 | 67.9 Ų | 67.9 | 50% | 0.495 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 130.5 | 174.5 | -172 | 176.5 | 174 | 0 | 0 | 110.6 | R57 G58 V59 F108 | R57-E84 PolarHBondContact O-N 3.37Å; G58-E84 CarbonylContact C-O 3.47Å; G58-E84 WeakPolarHBondContact CA-O 3.05Å; V59-E84 PolarHBondContact N-O 3.4Å; E84-F108 HydrophobicContact CB-CE2 4.35Å; E84-F108 HydrophobicContact CB-CZ 4.09Å; E84-F108 HydrophobicContact CG-CE2 3.84Å; E84-F108 HydrophobicContact CG-CZ 4.03Å |
| 85 | Q | 95.2 | Very high | 81.5 | Confident | 38 Ų | 38 | 66.5 Ų | 66.5 | 18% | 0.178 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 122.3 | 177.2 | 178.3 | 173.3 | 56.6 | 0 | 0 | 111.6 | V59 T61 | V59-Q85 HydrophobicContact CG1-CB 3.64Å; V59-Q85 HydrophobicContact CG1-CG 3.88Å; V59-Q85 WeakPolarHBondContact O-CA 3.22Å; T61-Q85 PolarHBondContact OG1-NE2 3.42Å |
| 86 | L | 94.6 | Very high | 81.1 | Confident | 25 Ų | 25 | 65.7 Ų | 65.7 | 13% | 0.131 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 116 | 165.2 | 177.6 | 63.5 | 0 | 0 | 0 | 109.8 | V59 I60 T61 L88 F108 | V59-L86 PolarHBondContact O-N 3.23Å; I60-L86 CarbonylContact C-O 3.59Å; I60-L86 WeakPolarHBondContact CA-O 3.49Å; T61-L86 PolarHBondContact N-O 2.98Å; L86-L88 HydrophobicContact CD1-CD2 4.1Å; L86-L88 HydrophobicContact CD2-CD1 4.2Å; L86-L88 HydrophobicContact CD2-CD2 4.14Å; L86-L88 HydrophobicContact CD2-CG 4.19Å; L86-L88 HydrophobicContact CG-CD2 4.04Å; L86-L88 HydrophobicContact CG-CG 4.04Å; L86-F108 HydrophobicContact CB-CD1 4.16Å; L86-F108 HydrophobicContact CB-CD2 4Å; L86-F108 HydrophobicContact CB-CE1 4.17Å; L86-F108 HydrophobicContact CB-CE2 4.01Å; L86-F108 HydrophobicContact CB-CG 4.07Å; L86-F108 HydrophobicContact CB-CZ 4.1Å; L86-F108 HydrophobicContact CD2-CB 3.54Å; L86-F108 HydrophobicContact CD2-CD1 4.21Å; L86-F108 HydrophobicContact CD2-CD2 4.08Å; L86-F108 HydrophobicContact CD2-CG 3.68Å |
| 87 | R | 90.8 | Very high | 80.7 | Confident | 63 Ų | 63 | 59.3 Ų | 59.3 | 24% | 0.238 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 122.9 | 173.8 | -169.6 | 172.6 | -68.3 | 177.7 | 2.7 | 110.7 | T61 E65 | T61-R87 HydrophobicContact CG2-CG 4.44Å; T61-R87 WeakPolarHBondContact O-CA 3.45Å; E65-R87 VanDerWaalsContact CB-NH1 3.3Å; E65-R87 VanDerWaalsContact CD-NH1 3.29Å; E65-R87 VanDerWaalsContact CG-NH1 3.31Å; E65-R87 IonicContact OE1-CZ 2.92Å; E65-R87 IonicContact OE1-NH1 3.9Å; E65-R87 PolarHBondContact OE1-NH1 3.37Å |
| 88 | L | 87.7 | Confident | 80.5 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | trans | -118.1 | 83.2 | 177 | -60.4 | 175.9 | 0 | 0 | 0 | 108.5 | I60 T61 M62 L86 T90 N101 R104 L133 | I60-L88 HydrophobicContact CG2-CD1 3.81Å; I60-L88 HydrophobicContact CG2-CG 4.27Å; T61-L88 PolarHBondContact O-N 3.22Å; M62-L88 WeakPolarHBondContact CA-O 3.32Å; L86-L88 HydrophobicContact CD1-CD2 4.1Å; L86-L88 HydrophobicContact CD2-CD1 4.2Å; L86-L88 HydrophobicContact CD2-CD2 4.14Å; L86-L88 HydrophobicContact CD2-CG 4.19Å; L86-L88 HydrophobicContact CG-CD2 4.04Å; L86-L88 HydrophobicContact CG-CG 4.04Å; L88-T90 PolarHBondContact O-N 3.15Å; L88-N101 HydrophobicContact CB-CB 4.45Å; L88-N101 HydrophobicContact CD1-CB 4.45Å; L88-N101 WeakPolarHBondContact CD1-O 3.28Å; L88-N101 HydrophobicContact CD2-CB 4.34Å; L88-R104 HydrophobicContact CD2-CB 4.33Å; L88-L133 HydrophobicContact CD1-CD2 4.26Å | ||
| 89 | S | 72.6 | Confident | 80.3 | Confident | 50 Ų | 50 | 60.2 Ų | 60.2 | 35% | 0.35 | 34% | 0.343 | S | S | . | . | trans | -63.3 | 120.3 | 179.1 | -54.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 90 | T | 64.7 | Low | 80.2 | Confident | 10 Ų | 10 | 58.4 Ų | 58.4 | 6% | 0.061 | 34% | 0.337 | C | S | . | . | trans | -94.5 | 105.7 | 169 | 55.8 | 0 | 0 | 0 | 0 | 107.5 | M62 L88 D92 P97 R129 | M62-T90 HydrophobicContact CE-CG2 4.22Å; L88-T90 PolarHBondContact O-N 3.15Å; T90-D92 PolarHBondContact O-N 3.46Å; T90-D92 VanDerWaalsContact O-N 3.09Å; T90-P97 HydrophobicContact CG2-CB 4.15Å; T90-R129 WeakPolarHBondContact OG1-CD 3.26Å | ||
| 91 | V | 53.5 | Low | 80 | Confident | 135 Ų | 135 | 55.4 Ų | 55.4 | 82% | 0.818 | 31% | 0.309 | S | S | * | . | trans | -61.6 | -18.6 | -177.6 | -178.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 92 | D | 45.8 | Very low | 80 | Confident | 102 Ų | 102 | 51.1 Ų | 51.1 | 55% | 0.545 | 29% | 0.289 | S | S | . | . | trans | -99.5 | 135.3 | -162.5 | -113.6 | -28.6 | 0 | 0 | 0 | 115.3 | T90 T94 G95 | T90-D92 PolarHBondContact O-N 3.46Å; T90-D92 VanDerWaalsContact O-N 3.09Å; D92-T94 WeakPolarHBondContact CB-OG1 3.2Å; D92-T94 PolarHBondContact O-N 3Å; D92-G95 PolarHBondContact O-N 3.4Å | ||
| 93 | L | 48.1 | Very low | 80 | Confident | 138 Ų | 138 | 51.1 Ų | 51.1 | 72% | 0.723 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -15.2 | 170.6 | -66.3 | 164.2 | 0 | 0 | 0 | 113 | ||
| 94 | T | 60.1 | Low | 80 | Confident | 74 Ų | 74 | 56 Ų | 56 | 45% | 0.454 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -20.7 | 179.1 | 69.2 | 0 | 0 | 0 | 0 | 112.9 | D92 V96 Q166 | D92-T94 WeakPolarHBondContact CB-OG1 3.2Å; D92-T94 PolarHBondContact O-N 3Å; T94-V96 VanDerWaalsContact C-N 3.3Å; T94-V96 PolarHBondContact O-N 2.87Å; T94-Q166 PolarHBondContact O-NE2 3.41Å |
| 95 | G | 67.4 | Low | 80 | Confident | 11 Ų | 11 | 51 Ų | 51 | 11% | 0.113 | 27% | 0.272 | C | S | . | . | trans | 65.6 | 29.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | D92 R129 Q166 | D92-G95 PolarHBondContact O-N 3.4Å; G95-R129 VanDerWaalsContact O-CG 3.28Å; G95-R129 WeakPolarHBondContact O-CG 3.33Å; G95-Q166 PolarHBondContact O-NE2 3.17Å; G95-Q166 VanDerWaalsContact O-NE2 3.12Å | ||
| 96 | V | 78.3 | Confident | 80.1 | Confident | 28 Ų | 28 | 49.2 Ų | 49.2 | 17% | 0.17 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -102 | 121.4 | 175.7 | -174.5 | 0 | 0 | 0 | 0 | 109.2 | T94 S165 Q166 M169 | T94-V96 VanDerWaalsContact C-N 3.3Å; T94-V96 PolarHBondContact O-N 2.87Å; V96-S165 WeakPolarHBondContact CG2-OG 3.42Å; V96-Q166 HydrophobicContact CG1-CG 4.5Å; V96-Q166 HydrophobicContact CG2-CG 4Å; V96-M169 HydrophobicContact CG1-CB 4.18Å; V96-M169 HydrophobicContact CG1-CG 3.65Å |
| 97 | P | 81.4 | Confident | 80.2 | Confident | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.013 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 147.9 | 172.7 | 28.3 | -32 | 0 | 0 | 0 | 112.1 | M62 T90 L102 T132 | M62-P97 HydrophobicContact CE-CB 3.66Å; M62-P97 HydrophobicContact CE-CG 3.99Å; T90-P97 HydrophobicContact CG2-CB 4.15Å; P97-L102 HydrophobicContact CB-CD2 4.11Å; P97-L102 HydrophobicContact CB-CG 4.31Å; P97-L102 HydrophobicContact CG-CD2 3.61Å; P97-L102 HydrophobicContact CG-CG 4.09Å; P97-T132 HydrophobicContact CG-CG2 3.89Å |
| 98 | S | 87.6 | Confident | 80.5 | Confident | 54 Ų | 54 | 51.7 Ų | 51.7 | 38% | 0.378 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 157.5 | 171.4 | 64 | 0 | 0 | 0 | 0 | 111.3 | E100 N101 L102 | S98-E100 VanDerWaalsContact C-N 3.27Å; S98-E100 PolarHBondContact O-N 3.33Å; S98-N101 PolarHBondContact O-N 3.38Å; S98-N101 VanDerWaalsContact O-N 3.16Å; S98-N101 WeakPolarHBondContact OG-CB 3.38Å; S98-N101 PolarHBondContact OG-N 3.33Å; S98-N101 PolarHBondContact OG-ND2 2.96Å; S98-L102 PolarHBondContact O-N 2.89Å |
| 99 | L | 89.9 | Confident | 81 | Confident | 38 Ų | 38 | 51.8 Ų | 51.8 | 20% | 0.199 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.2 | -42 | 174.7 | -77.6 | 174.1 | 0 | 0 | 0 | 112.4 | N101 L102 H103 M169 R172 Y173 | L99-N101 VanDerWaalsContact C-N 3.34Å; L99-N101 PolarHBondContact O-N 2.96Å; L99-L102 HydrophobicContact CD2-CD1 4.48Å; L99-L102 WeakPolarHBondContact O-CB 3.42Å; L99-L102 PolarHBondContact O-N 3.28Å; L99-L102 VanDerWaalsContact O-N 3.17Å; L99-H103 PolarHBondContact O-CD2 3.13Å; L99-H103 PolarHBondContact O-N 3.3Å; L99-M169 HydrophobicContact CD1-CE 3.83Å; L99-M169 HydrophobicContact CD2-CE 3.54Å; L99-M169 HydrophobicContact CD2-SD 3.98Å; L99-M169 HydrophobicContact CG-CE 3.47Å; L99-M169 VanDerWaalsContact CG-CE 3.47Å; L99-M169 HydrophobicContact CG-SD 3.71Å; L99-R172 HydrophobicContact CD1-CB 4.34Å; L99-R172 HydrophobicContact CD2-CB 4.31Å; L99-Y173 HydrophobicContact CD2-CD2 4.33Å |
| 100 | E | 91 | Very high | 82.2 | Confident | 127 Ų | 127 | 51.1 Ų | 51.1 | 59% | 0.593 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -59.7 | -45.1 | 177.1 | -171.2 | -166 | 149.8 | 0 | 0 | 111.5 | S98 L102 H103 R104 | S98-E100 VanDerWaalsContact C-N 3.27Å; S98-E100 PolarHBondContact O-N 3.33Å; E100-L102 VanDerWaalsContact C-N 3.3Å; E100-L102 PolarHBondContact O-N 3.19Å; E100-H103 PolarHBondContact O-N 2.79Å; E100-R104 WeakPolarHBondContact O-CB 3.46Å; E100-R104 WeakPolarHBondContact O-CG 3.28Å; E100-R104 PolarHBondContact O-N 2.66Å |
| 101 | N | 91.3 | Very high | 83.7 | Confident | 22 Ų | 22 | 52.3 Ų | 52.3 | 12% | 0.118 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.9 | -34.8 | 176.7 | -77 | -15.8 | 0 | 0 | 0 | 111.8 | L88 S98 L99 G105 | L88-N101 HydrophobicContact CB-CB 4.45Å; L88-N101 HydrophobicContact CD1-CB 4.45Å; L88-N101 WeakPolarHBondContact CD1-O 3.28Å; L88-N101 HydrophobicContact CD2-CB 4.34Å; S98-N101 PolarHBondContact O-N 3.38Å; S98-N101 VanDerWaalsContact O-N 3.16Å; S98-N101 WeakPolarHBondContact OG-CB 3.38Å; S98-N101 PolarHBondContact OG-N 3.33Å; S98-N101 PolarHBondContact OG-ND2 2.96Å; L99-N101 VanDerWaalsContact C-N 3.34Å; L99-N101 PolarHBondContact O-N 2.96Å; N101-G105 PolarHBondContact O-N 3.3Å |
| 102 | L | 93.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.3 | -49.7 | 173 | -70.4 | 179.4 | 0 | 0 | 0 | 111.1 | P97 S98 L99 E100 G105 V106 T132 L133 A136 Y173 | P97-L102 HydrophobicContact CB-CD2 4.11Å; P97-L102 HydrophobicContact CB-CG 4.31Å; P97-L102 HydrophobicContact CG-CD2 3.61Å; P97-L102 HydrophobicContact CG-CG 4.09Å; S98-L102 PolarHBondContact O-N 2.89Å; L99-L102 HydrophobicContact CD2-CD1 4.48Å; L99-L102 WeakPolarHBondContact O-CB 3.42Å; L99-L102 PolarHBondContact O-N 3.28Å; L99-L102 VanDerWaalsContact O-N 3.17Å; E100-L102 VanDerWaalsContact C-N 3.3Å; E100-L102 PolarHBondContact O-N 3.19Å; L102-G105 PolarHBondContact O-N 3.48Å; L102-V106 WeakPolarHBondContact O-CB 3.42Å; L102-V106 WeakPolarHBondContact O-CG2 3.32Å; L102-V106 PolarHBondContact O-N 2.89Å; L102-T132 HydrophobicContact CD2-CG2 4.42Å; L102-L133 HydrophobicContact CD2-CB 4.37Å; L102-L133 HydrophobicContact CD2-CD1 3.7Å; L102-A136 HydrophobicContact CB-CB 4.46Å; L102-A136 HydrophobicContact CD1-CB 4.46Å; L102-A136 HydrophobicContact CD2-CB 3.92Å; L102-Y173 HydrophobicContact CB-CD2 3.93Å; L102-Y173 HydrophobicContact CB-CE2 4.09Å; L102-Y173 HydrophobicContact CD1-CD2 4.37Å; L102-Y173 HydrophobicContact CD1-CG 4.45Å |
| 103 | H | 94.7 | Very high | 88.2 | Confident | 47 Ų | 47 | 45.8 Ų | 45.8 | 22% | 0.218 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.8 | -54.5 | 176.5 | -78.5 | -67.6 | 0 | 0 | 0 | 111.6 | L99 E100 G105 V106 E107 Y173 Q176 | L99-H103 PolarHBondContact O-CD2 3.13Å; L99-H103 PolarHBondContact O-N 3.3Å; E100-H103 PolarHBondContact O-N 2.79Å; H103-G105 VanDerWaalsContact C-N 3.33Å; H103-G105 PolarHBondContact O-N 3.33Å; H103-V106 PolarHBondContact O-N 3.36Å; H103-V106 VanDerWaalsContact O-N 3.17Å; H103-E107 WeakPolarHBondContact O-CB 3.4Å; H103-E107 VanDerWaalsContact O-CG 3.32Å; H103-E107 WeakPolarHBondContact O-CG 3.42Å; H103-E107 PolarHBondContact O-N 3.1Å; H103-Y173 AromaticContact CE1-CD2 3.98Å; H103-Y173 AromaticContact CE1-CE2 3.48Å; H103-Y173 VanDerWaalsContact CE1-CE2 3.48Å; H103-Y173 WeakPolarHBondContact CE1-CE2 3.43Å; H103-Y173 AromaticContact CG-CE2 3.8Å; H103-Y173 AromaticContact ND1-CE2 3.42Å; H103-Y173 WeakPolarHBondContact ND1-CE2 3.38Å; H103-Y173 AromaticContact NE2-CD2 3.96Å; H103-Y173 AromaticContact NE2-CE2 3.84Å; H103-Q176 PolarHBondContact NE2-OE1 3.13Å |
| 104 | R | 95.9 | Very high | 90.4 | Very high | 106 Ų | 106 | 47.4 Ų | 47.4 | 40% | 0.4 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -57.4 | -44.1 | -179.6 | -70.7 | 175.7 | 61.9 | -164.9 | -3.7 | 112.7 | L88 E100 F108 | L88-R104 HydrophobicContact CD2-CB 4.33Å; E100-R104 WeakPolarHBondContact O-CB 3.46Å; E100-R104 WeakPolarHBondContact O-CG 3.28Å; E100-R104 PolarHBondContact O-N 2.66Å; R104-F108 VanDerWaalsContact O-CB 3.3Å; R104-F108 WeakPolarHBondContact O-CB 3.48Å; R104-F108 PolarHBondContact O-N 3.41Å |
| 105 | G | 96.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69 | -37.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | I60 N101 L102 H103 A109 | I60-G105 VanDerWaalsContact CD1-O 3.25Å; I60-G105 WeakPolarHBondContact CD1-O 3.44Å; N101-G105 PolarHBondContact O-N 3.3Å; L102-G105 PolarHBondContact O-N 3.48Å; H103-G105 VanDerWaalsContact C-N 3.33Å; H103-G105 PolarHBondContact O-N 3.33Å; G105-A109 PolarHBondContact O-N 3.03Å; G105-A109 VanDerWaalsContact O-N 3.09Å |
| 106 | V | 97.1 | Very high | 93.4 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -70.4 | -44.6 | 176.8 | 172 | 0 | 0 | 0 | 0 | 111.1 | L102 H103 F108 A109 L110 L133 A136 Y137 R140 Y173 | L102-V106 WeakPolarHBondContact O-CB 3.42Å; L102-V106 WeakPolarHBondContact O-CG2 3.32Å; L102-V106 PolarHBondContact O-N 2.89Å; H103-V106 PolarHBondContact O-N 3.36Å; H103-V106 VanDerWaalsContact O-N 3.17Å; V106-F108 VanDerWaalsContact C-N 3.3Å; V106-F108 PolarHBondContact O-N 3.17Å; V106-A109 PolarHBondContact O-N 3.18Å; V106-A109 VanDerWaalsContact O-N 3.15Å; V106-L110 HydrophobicContact CG1-CD1 4.11Å; V106-L110 HydrophobicContact CG1-CG 4.3Å; V106-L110 WeakPolarHBondContact O-CG 3.33Å; V106-L110 PolarHBondContact O-N 3.28Å; V106-L133 HydrophobicContact CG2-CD1 4.17Å; V106-A136 HydrophobicContact CG2-CB 3.86Å; V106-Y137 HydrophobicContact CG1-CD2 4.44Å; V106-R140 HydrophobicContact CG1-CB 3.63Å; V106-R140 HydrophobicContact CG1-CG 3.62Å; V106-Y173 WeakPolarHBondContact CG1-OH 3.27Å |
| 107 | E | 97.1 | Very high | 94.3 | Very high | 119 Ų | 119 | 52 Ų | 52 | 56% | 0.556 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -59.2 | -42.6 | 175.4 | -73.6 | 174 | 163.8 | 0 | 0 | 111.7 | H103 A109 L110 S111 | H103-E107 WeakPolarHBondContact O-CB 3.4Å; H103-E107 VanDerWaalsContact O-CG 3.32Å; H103-E107 WeakPolarHBondContact O-CG 3.42Å; H103-E107 PolarHBondContact O-N 3.1Å; E107-A109 PolarHBondContact O-N 3.25Å; E107-L110 PolarHBondContact O-N 3.06Å; E107-S111 PolarHBondContact O-N 3.45Å |
| 108 | F | 97.8 | Very high | 95.1 | Very high | 21 Ų | 21 | 52.2 Ų | 52.2 | 9% | 0.092 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.4 | -49.4 | 173.1 | -175.8 | -95.8 | 0 | 0 | 0 | 111.5 | I60 E84 L86 R104 V106 L110 S111 H112 V119 | I60-F108 HydrophobicContact CD1-CD1 3.85Å; I60-F108 HydrophobicContact CG1-CD1 3.62Å; I60-F108 HydrophobicContact CG1-CE1 3.96Å; E84-F108 HydrophobicContact CB-CE2 4.35Å; E84-F108 HydrophobicContact CB-CZ 4.09Å; E84-F108 HydrophobicContact CG-CE2 3.84Å; E84-F108 HydrophobicContact CG-CZ 4.03Å; L86-F108 HydrophobicContact CB-CD1 4.16Å; L86-F108 HydrophobicContact CB-CD2 4Å; L86-F108 HydrophobicContact CB-CE1 4.17Å; L86-F108 HydrophobicContact CB-CE2 4.01Å; L86-F108 HydrophobicContact CB-CG 4.07Å; L86-F108 HydrophobicContact CB-CZ 4.1Å; L86-F108 HydrophobicContact CD2-CB 3.54Å; L86-F108 HydrophobicContact CD2-CD1 4.21Å; L86-F108 HydrophobicContact CD2-CD2 4.08Å; L86-F108 HydrophobicContact CD2-CG 3.68Å; R104-F108 VanDerWaalsContact O-CB 3.3Å; R104-F108 WeakPolarHBondContact O-CB 3.48Å; R104-F108 PolarHBondContact O-N 3.41Å; V106-F108 VanDerWaalsContact C-N 3.3Å; V106-F108 PolarHBondContact O-N 3.17Å; F108-L110 VanDerWaalsContact C-N 3.34Å; F108-L110 PolarHBondContact O-N 2.99Å; F108-S111 PolarHBondContact O-N 3.26Å; F108-S111 PolarHBondContact O-OG 3.31Å; F108-H112 AromaticContact CD1-CD2 3.97Å; F108-H112 AromaticContact CE1-CD2 3.64Å; F108-H112 AromaticContact CE1-NE2 3.63Å; F108-H112 AromaticContact CE2-NE2 3.76Å; F108-H112 AromaticContact CZ-CD2 3.76Å; F108-H112 AromaticContact CZ-NE2 3.28Å; F108-H112 VanDerWaalsContact CZ-NE2 3.28Å; F108-H112 WeakPolarHBondContact CZ-NE2 3.5Å; F108-H112 PolarHBondContact O-CD2 3.43Å; F108-H112 VanDerWaalsContact O-CD2 3.32Å; F108-H112 PolarHBondContact O-N 3.39Å; F108-V119 HydrophobicContact CD1-CG1 4.23Å; F108-V119 HydrophobicContact CE1-CG1 4.11Å |
| 109 | A | 97.4 | Very high | 95.5 | Very high | 2 Ų | 2 | 49.7 Ų | 49.7 | 2% | 0.017 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61 | -40 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | V36 G105 V106 E107 H112 R113 Y137 | V36-A109 HydrophobicContact CG2-CB 4.26Å; G105-A109 PolarHBondContact O-N 3.03Å; G105-A109 VanDerWaalsContact O-N 3.09Å; V106-A109 PolarHBondContact O-N 3.18Å; V106-A109 VanDerWaalsContact O-N 3.15Å; E107-A109 PolarHBondContact O-N 3.25Å; A109-H112 PolarHBondContact O-N 3.41Å; A109-R113 PolarHBondContact O-N 2.92Å; A109-Y137 HydrophobicContact CB-CD2 3.71Å; A109-Y137 HydrophobicContact CB-CE2 3.85Å |
| 110 | L | 97.1 | Very high | 95.9 | Very high | 37 Ų | 37 | 47.9 Ų | 47.9 | 19% | 0.194 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.7 | -41.9 | 176.1 | -71.2 | 176.7 | 0 | 0 | 0 | 112.2 | V106 E107 F108 H112 R113 E114 Y137 R140 I141 | V106-L110 HydrophobicContact CG1-CD1 4.11Å; V106-L110 HydrophobicContact CG1-CG 4.3Å; V106-L110 WeakPolarHBondContact O-CG 3.33Å; V106-L110 PolarHBondContact O-N 3.28Å; E107-L110 PolarHBondContact O-N 3.06Å; F108-L110 VanDerWaalsContact C-N 3.34Å; F108-L110 PolarHBondContact O-N 2.99Å; L110-H112 PolarHBondContact O-N 2.9Å; L110-R113 WeakPolarHBondContact O-CA 3.41Å; L110-R113 VanDerWaalsContact O-CB 3.3Å; L110-R113 WeakPolarHBondContact O-CB 3.31Å; L110-R113 PolarHBondContact O-N 2.82Å; L110-E114 PolarHBondContact O-N 2.96Å; L110-Y137 HydrophobicContact CD2-CE2 3.97Å; L110-Y137 HydrophobicContact CG-CE2 4.46Å; L110-R140 HydrophobicContact CD1-CG 3.82Å; L110-I141 HydrophobicContact CD2-CG2 3.74Å |
| 111 | S | 97.4 | Very high | 96.1 | Very high | 35 Ų | 35 | 42 Ų | 42 | 25% | 0.245 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.5 | -32.1 | 177.3 | 80.6 | 0 | 0 | 0 | 0 | 112.5 | E107 F108 K115 | E107-S111 PolarHBondContact O-N 3.45Å; F108-S111 PolarHBondContact O-N 3.26Å; F108-S111 PolarHBondContact O-OG 3.31Å; S111-K115 WeakPolarHBondContact O-CD 3.48Å; S111-K115 VanDerWaalsContact O-CG 3.3Å; S111-K115 WeakPolarHBondContact O-CG 3.41Å |
| 112 | H | 96.9 | Very high | 96.2 | Very high | 6 Ų | 6 | 41 Ų | 41 | 3% | 0.028 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -79 | -33.8 | 175.1 | -82.5 | -75.9 | 0 | 0 | 0 | 112.8 | R57 G58 F108 A109 L110 E114 K115 G116 S117 V119 | R57-H112 PolarHBondContact O-CE1 3.24Å; G58-H112 WeakPolarHBondContact CA-NE2 3.39Å; F108-H112 AromaticContact CD1-CD2 3.97Å; F108-H112 AromaticContact CE1-CD2 3.64Å; F108-H112 AromaticContact CE1-NE2 3.63Å; F108-H112 AromaticContact CE2-NE2 3.76Å; F108-H112 AromaticContact CZ-CD2 3.76Å; F108-H112 AromaticContact CZ-NE2 3.28Å; F108-H112 VanDerWaalsContact CZ-NE2 3.28Å; F108-H112 WeakPolarHBondContact CZ-NE2 3.5Å; F108-H112 PolarHBondContact O-CD2 3.43Å; F108-H112 VanDerWaalsContact O-CD2 3.32Å; F108-H112 PolarHBondContact O-N 3.39Å; A109-H112 PolarHBondContact O-N 3.41Å; L110-H112 PolarHBondContact O-N 2.9Å; H112-E114 VanDerWaalsContact C-N 3.34Å; H112-K115 PolarHBondContact O-N 2.93Å; H112-G116 PolarHBondContact O-N 3.06Å; H112-S117 CarbonylContact C-O 3.55Å; H112-S117 WeakPolarHBondContact CA-OG 3.43Å; H112-S117 WeakPolarHBondContact CB-OG 3.25Å; H112-S117 PolarHBondContact ND1-OG 3.21Å; H112-S117 PolarHBondContact O-N 3.11Å; H112-S117 VanDerWaalsContact O-O 3.13Å; H112-S117 PolarHBondContact O-OG 3.32Å; H112-V119 HydrophobicContact CB-CG2 3.24Å; H112-V119 VanDerWaalsContact CG-CG2 3.45Å |
| 113 | R | 96.1 | Very high | 95.8 | Very high | 94 Ų | 94 | 41.2 Ų | 41.2 | 36% | 0.355 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -57.8 | -47 | 171.5 | -177.4 | 178.4 | -172 | 126 | -2.6 | 111 | D33 T35 A109 L110 K115 G116 Y137 | D33-R113 IonicContact OD2-CZ 3.57Å; D33-R113 IonicContact OD2-NH1 2.68Å; D33-R113 PolarHBondContact OD2-NH1 2.77Å; T35-R113 HydrophobicContact CG2-CB 3.85Å; T35-R113 WeakPolarHBondContact OG1-CB 3.38Å; T35-R113 WeakPolarHBondContact OG1-CG 3.31Å; A109-R113 PolarHBondContact O-N 2.92Å; L110-R113 WeakPolarHBondContact O-CA 3.41Å; L110-R113 VanDerWaalsContact O-CB 3.3Å; L110-R113 WeakPolarHBondContact O-CB 3.31Å; L110-R113 PolarHBondContact O-N 2.82Å; R113-K115 PolarHBondContact O-N 3.28Å; R113-G116 PolarHBondContact O-N 3Å; R113-Y137 WeakPolarHBondContact CD-OH 3.3Å; R113-Y137 PolarHBondContact NH1-OH 2.95Å |
| 114 | E | 95.4 | Very high | 95.2 | Very high | 172 Ų | 172 | 41.2 Ų | 41.2 | 80% | 0.804 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -61 | -33.2 | 178.3 | -70.6 | 174.6 | 176.4 | 0 | 0 | 112.6 | L110 H112 G116 | L110-E114 PolarHBondContact O-N 2.96Å; H112-E114 VanDerWaalsContact C-N 3.34Å; E114-G116 VanDerWaalsContact C-N 3.27Å; E114-G116 PolarHBondContact O-N 2.89Å |
| 115 | K | 94.7 | Very high | 94.4 | Very high | 144 Ų | 144 | 36.9 Ų | 36.9 | 63% | 0.626 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -1.8 | 176.3 | -63.8 | 167.1 | -170.7 | 168.8 | 0 | 113.5 | S111 H112 R113 S117 | S111-K115 WeakPolarHBondContact O-CD 3.48Å; S111-K115 VanDerWaalsContact O-CG 3.3Å; S111-K115 WeakPolarHBondContact O-CG 3.41Å; H112-K115 PolarHBondContact O-N 2.93Å; R113-K115 PolarHBondContact O-N 3.28Å; K115-S117 VanDerWaalsContact C-N 3.25Å; K115-S117 PolarHBondContact O-N 3.24Å |
| 116 | G | 95.4 | Very high | 93.6 | Very high | 57 Ų | 57 | 36.9 Ų | 36.9 | 59% | 0.588 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68 | 23.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114 | N55 H112 R113 E114 | N55-G116 PolarHBondContact ND2-O 3.37Å; H112-G116 PolarHBondContact O-N 3.06Å; R113-G116 PolarHBondContact O-N 3Å; E114-G116 VanDerWaalsContact C-N 3.27Å; E114-G116 PolarHBondContact O-N 2.89Å |
| 117 | S | 96.6 | Very high | 93 | Very high | 8 Ų | 8 | 40.1 Ų | 40.1 | 6% | 0.056 | 20% | 0.203 | C | C | . | . | trans | -107.9 | 158.2 | -179.7 | 63.5 | 0 | 0 | 0 | 0 | 111.8 | H112 K115 | H112-S117 CarbonylContact C-O 3.55Å; H112-S117 WeakPolarHBondContact CA-OG 3.43Å; H112-S117 WeakPolarHBondContact CB-OG 3.25Å; H112-S117 PolarHBondContact ND1-OG 3.21Å; H112-S117 PolarHBondContact O-N 3.11Å; H112-S117 VanDerWaalsContact O-O 3.13Å; H112-S117 PolarHBondContact O-OG 3.32Å; K115-S117 VanDerWaalsContact C-N 3.25Å; K115-S117 PolarHBondContact O-N 3.24Å | ||
| 118 | S | 97.4 | Very high | 92.4 | Very high | 7 Ų | 7 | 35.8 Ų | 35.8 | 5% | 0.049 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 154.6 | 178.1 | -64.4 | 0 | 0 | 0 | 0 | 112.4 | T35 E54 N55 V56 R57 G58 | T35-S118 CarbonylContact O-C 3.56Å; T35-S118 WeakPolarHBondContact O-CA 3.28Å; T35-S118 WeakPolarHBondContact O-CB 3.49Å; E54-S118 VanDerWaalsContact O-CB 3.23Å; E54-S118 WeakPolarHBondContact O-CB 3.19Å; E54-S118 PolarHBondContact O-OG 2.68Å; E54-S118 VanDerWaalsContact O-OG 3.06Å; N55-S118 WeakPolarHBondContact O-CB 3.4Å; N55-S118 PolarHBondContact O-N 2.87Å; V56-S118 WeakPolarHBondContact CA-O 3.45Å; R57-S118 PolarHBondContact N-O 3.17Å; G58-S118 PolarHBondContact N-O 2.92Å |
| 119 | V | 97.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 124.8 | 176.1 | -178.8 | 0 | 0 | 0 | 0 | 110.7 | T35 I37 G58 I60 F108 H112 V121 | T35-V119 HydrophobicContact CG2-CG2 4.38Å; T35-V119 PolarHBondContact O-N 3.49Å; I37-V119 PolarHBondContact N-O 3.41Å; G58-V119 CarbonylContact O-C 3.49Å; G58-V119 VanDerWaalsContact O-CA 3.25Å; G58-V119 WeakPolarHBondContact O-CA 3.34Å; I60-V119 HydrophobicContact CD1-CG1 3.99Å; I60-V119 HydrophobicContact CG1-CG1 3.75Å; F108-V119 HydrophobicContact CD1-CG1 4.23Å; F108-V119 HydrophobicContact CE1-CG1 4.11Å; H112-V119 HydrophobicContact CB-CG2 3.24Å; H112-V119 VanDerWaalsContact CG-CG2 3.45Å; V119-V121 HydrophobicContact CG1-CG2 4.08Å |
| 120 | Y | 97.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 111.5 | 175 | -168.7 | -95 | 0 | 0 | 0 | 110.6 | F29 I37 G39 A40 P42 L50 G58 V59 I60 H122 | F29-Y120 HydrophobicContact CB-CE2 3.63Å; F29-Y120 HydrophobicContact CD1-CE2 4.15Å; F29-Y120 AromaticContact CG-CE2 3.87Å; F29-Y120 HydrophobicContact CG-CE2 3.87Å; I37-Y120 HydrophobicContact CB-CD2 4.02Å; I37-Y120 HydrophobicContact CG2-CD2 3.7Å; I37-Y120 HydrophobicContact CG2-CE2 3.91Å; G39-Y120 WeakPolarHBondContact CA-OH 3.27Å; A40-Y120 WeakPolarHBondContact O-CE1 3.43Å; A40-Y120 PolarHBondContact O-OH 3.3Å; P42-Y120 HydrophobicContact CB-CD1 4.25Å; P42-Y120 HydrophobicContact CB-CE1 3.83Å; P42-Y120 HydrophobicContact CG-CD1 4.29Å; P42-Y120 HydrophobicContact CG-CE1 4.02Å; L50-Y120 HydrophobicContact CD1-CD2 4.31Å; L50-Y120 HydrophobicContact CD1-CE2 4.4Å; L50-Y120 HydrophobicContact CD1-CG 4.43Å; L50-Y120 HydrophobicContact CD2-CD2 3.52Å; L50-Y120 HydrophobicContact CD2-CE2 3.65Å; L50-Y120 HydrophobicContact CD2-CG 4.32Å; G58-Y120 PolarHBondContact O-N 3.38Å; V59-Y120 CarbonylContact C-O 3.52Å; V59-Y120 WeakPolarHBondContact CA-O 3.33Å; V59-Y120 HydrophobicContact CG2-CD1 4.28Å; I60-Y120 PolarHBondContact N-O 3.41Å; Y120-H122 HydrophobicContact CD1-CB 3.98Å; Y120-H122 AromaticContact CD1-CD2 3.98Å; Y120-H122 HydrophobicContact CE1-CB 3.54Å |
| 121 | V | 95.8 | Very high | 91.4 | Very high | 3 Ų | 3 | 34.6 Ų | 34.6 | 2% | 0.018 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 119.3 | -178.5 | -172.3 | 0 | 0 | 0 | 0 | 109.4 | V36 I37 G39 I60 V119 L133 | V36-V121 HydrophobicContact CG1-CG2 4Å; I37-V121 PolarHBondContact O-N 2.99Å; G39-V121 PolarHBondContact N-O 2.94Å; G39-V121 VanDerWaalsContact N-O 3.1Å; I60-V121 HydrophobicContact CB-CG1 4.31Å; I60-V121 HydrophobicContact CB-CG2 4.39Å; I60-V121 HydrophobicContact CD1-CG2 4.06Å; I60-V121 HydrophobicContact CG1-CG2 4.38Å; V119-V121 HydrophobicContact CG1-CG2 4.08Å; V121-L133 HydrophobicContact CG1-CB 4.36Å; V121-L133 HydrophobicContact CG1-CD2 3.84Å; V121-L133 HydrophobicContact CG1-CG 4.5Å |
| 122 | H | 92.2 | Very high | 91.2 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 158.2 | -175.4 | 81.7 | 91.9 | 0 | 0 | 0 | 114.7 | G39 A40 P42 I60 T61 M62 N63 Y120 S130 | G39-H122 WeakPolarHBondContact O-CA 3.47Å; G39-H122 WeakPolarHBondContact O-CB 3.45Å; A40-H122 WeakPolarHBondContact O-CB 3.45Å; P42-H122 VanDerWaalsContact CD-CE1 3.46Å; P42-H122 WeakPolarHBondContact CD-CE1 3.43Å; P42-H122 WeakPolarHBondContact CD-ND1 3.48Å; I60-H122 PolarHBondContact O-CD2 2.85Å; I60-H122 PolarHBondContact O-N 3.31Å; T61-H122 PolarHBondContact OG1-NE2 2.8Å; M62-H122 WeakPolarHBondContact CB-O 3.37Å; M62-H122 PolarHBondContact N-O 2.8Å; N63-H122 PolarHBondContact OD1-ND1 3.3Å; Y120-H122 HydrophobicContact CD1-CB 3.98Å; Y120-H122 AromaticContact CD1-CD2 3.98Å; Y120-H122 HydrophobicContact CE1-CB 3.54Å; H122-S130 VanDerWaalsContact C-CB 3.44Å |
| 123 | C | 86.4 | Confident | 91.2 | Very high | 6 Ų | 6 | 32.8 Ų | 32.8 | 4% | 0.041 | 17% | 0.165 | C | C | . | . | trans | -130.1 | -145.9 | 163.9 | 73.5 | 0 | 0 | 0 | 0 | 107.4 | L41 M62 N63 G126 R129 S130 | L41-C123 WeakPolarHBondContact CD2-O 3.48Å; M62-C123 HydrophobicContact CB-CB 4.34Å; N63-C123 WeakPolarHBondContact OD1-CA 3.48Å; N63-C123 PolarHBondContact OD1-O 2.93Å; C123-G126 PolarHBondContact SG-N 2.89Å; C123-G126 VanDerWaalsContact SG-N 3.4Å; C123-R129 HydrophobicContact CB-CB 3.87Å; C123-S130 PolarHBondContact N-OG 3.03Å; C123-S130 PolarHBondContact SG-OG 3.39Å; C123-S130 VanDerWaalsContact SG-OG 3.37Å | ||
| 124 | K | 80.4 | Confident | 91.2 | Very high | 46 Ų | 46 | 28.4 Ų | 28.4 | 20% | 0.2 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -64.2 | -54.7 | 171.9 | -171.3 | 172.2 | 77.8 | -177.3 | 0 | 113.8 | F10 T13 L14 L41 N63 | F10-K124 HydrophobicContact CD2-CD 3.37Å; F10-K124 HydrophobicContact CD2-CG 4.31Å; F10-K124 HydrophobicContact CE2-CB 4.16Å; F10-K124 HydrophobicContact CE2-CD 3.18Å; F10-K124 HydrophobicContact CE2-CG 3.62Å; F10-K124 HydrophobicContact CG-CD 4.3Å; F10-K124 HydrophobicContact CZ-CD 4.01Å; F10-K124 HydrophobicContact CZ-CG 4.14Å; T13-K124 PolarHBondContact OG1-NZ 3.48Å; L14-K124 HydrophobicContact CD1-CG 4.18Å; L41-K124 PolarHBondContact N-O 3.49Å; N63-K124 PolarHBondContact ND2-N 2.87Å; N63-K124 PolarHBondContact OD1-N 2.92Å |
| 125 | A | 79.6 | Confident | 91.2 | Very high | 16 Ų | 16 | 20.2 Ų | 20.2 | 13% | 0.132 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -115 | -6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | R127 R157 | A125-R127 HydrophobicContact CB-CB 4.44Å; A125-R127 HydrophobicContact CB-CG 3.86Å; A125-R157 PolarHBondContact O-NH2 3.03Å |
| 126 | G | 79.7 | Confident | 91.3 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 8% | 0.081 | C | C | . | . | S | Bend | trans | 68.1 | 37.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | G39 C123 S130 R157 | G39-G126 WeakPolarHBondContact O-CA 3.45Å; G39-G126 PolarHBondContact O-N 3.22Å; C123-G126 PolarHBondContact SG-N 2.89Å; C123-G126 VanDerWaalsContact SG-N 3.4Å; G126-S130 WeakPolarHBondContact CA-OG 3.28Å; G126-R157 PolarHBondContact O-NE 2.96Å |
| 127 | R | 83.3 | Confident | 91.4 | Very high | 68 Ų | 68 | 10.8 Ų | 10.8 | 26% | 0.257 | 5% | 0.053 | S | C | . | . | S | Bend | trans | -120.7 | -34.7 | -170.2 | -64.3 | 178.7 | 71.9 | -172.2 | 3.6 | 115 | A125 A131 H159 I161 | A125-R127 HydrophobicContact CB-CB 4.44Å; A125-R127 HydrophobicContact CB-CG 3.86Å; R127-A131 WeakPolarHBondContact O-CB 3.34Å; R127-H159 WeakPolarHBondContact CG-O 3.47Å; R127-H159 PolarHBondContact NE-O 3.36Å; R127-I161 CarbonylContact O-C 3.58Å; R127-I161 PolarHBondContact O-N 2.97Å; R127-I161 VanDerWaalsContact O-O 3.13Å |
| 128 | C | 85.4 | Confident | 91.4 | Very high | 28 Ų | 28 | 10.5 Ų | 10.5 | 19% | 0.189 | 5% | 0.051 | C | C | . | . | S | Bend | trans | -126.4 | -77.4 | -167 | -166.5 | 0 | 0 | 0 | 0 | 111 | A131 T132 I161 Q166 | C128-A131 PolarHBondContact O-N 2.84Å; C128-T132 PolarHBondContact O-N 3Å; C128-T132 PolarHBondContact O-OG1 3.23Å; C128-I161 WeakPolarHBondContact CA-O 3.48Å; C128-Q166 PolarHBondContact SG-NE2 2.84Å |
| 129 | R | 87.9 | Confident | 91.4 | Very high | 36 Ų | 36 | 10.1 Ų | 10.1 | 14% | 0.136 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -53.2 | -59.6 | 179.6 | -71.6 | 177.2 | -80.8 | 174.2 | -6.8 | 112.6 | M62 E67 T90 G95 C123 A131 T132 L133 | M62-R129 HydrophobicContact CB-CB 4.24Å; M62-R129 HydrophobicContact CE-CB 4.32Å; M62-R129 PolarHBondContact O-NH1 2.93Å; M62-R129 VanDerWaalsContact SD-C 3.52Å; M62-R129 HydrophobicContact SD-CB 4.34Å; M62-R129 VanDerWaalsContact SD-O 3.37Å; E67-R129 IonicContact OE1-NH2 2.93Å; E67-R129 PolarHBondContact OE1-NH2 3.06Å; E67-R129 IonicContact OE2-CZ 2.63Å; E67-R129 IonicContact OE2-NH1 2.68Å; E67-R129 PolarHBondContact OE2-NH1 3.13Å; E67-R129 IonicContact OE2-NH2 3.34Å; T90-R129 WeakPolarHBondContact OG1-CD 3.26Å; G95-R129 VanDerWaalsContact O-CG 3.28Å; G95-R129 WeakPolarHBondContact O-CG 3.33Å; C123-R129 HydrophobicContact CB-CB 3.87Å; R129-A131 VanDerWaalsContact C-N 3.32Å; R129-A131 PolarHBondContact O-N 3.26Å; R129-T132 WeakPolarHBondContact O-CB 3.15Å; R129-T132 PolarHBondContact O-N 3.17Å; R129-L133 PolarHBondContact O-N 2.95Å |
| 130 | S | 90.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -66.6 | -32.6 | -179.6 | 53.8 | 0 | 0 | 0 | 0 | 113.7 | L38 M62 H122 C123 G126 T132 L133 A134 | L38-S130 WeakPolarHBondContact CD1-OG 3.3Å; M62-S130 VanDerWaalsContact SD-CA 3.5Å; H122-S130 VanDerWaalsContact C-CB 3.44Å; C123-S130 PolarHBondContact N-OG 3.03Å; C123-S130 PolarHBondContact SG-OG 3.39Å; C123-S130 VanDerWaalsContact SG-OG 3.37Å; G126-S130 WeakPolarHBondContact CA-OG 3.28Å; S130-T132 VanDerWaalsContact C-N 3.3Å; S130-T132 PolarHBondContact O-N 3.42Å; S130-L133 PolarHBondContact O-N 2.66Å; S130-A134 PolarHBondContact O-N 3.44Å |
| 131 | A | 92.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -66.7 | -34.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | L38 R127 C128 R129 A134 A135 L153 V160 I162 | L38-A131 HydrophobicContact CD2-CB 4.04Å; R127-A131 WeakPolarHBondContact O-CB 3.34Å; C128-A131 PolarHBondContact O-N 2.84Å; R129-A131 VanDerWaalsContact C-N 3.32Å; R129-A131 PolarHBondContact O-N 3.26Å; A131-A134 PolarHBondContact O-N 3.14Å; A131-A135 WeakPolarHBondContact O-CB 3.44Å; A131-A135 PolarHBondContact O-N 3.29Å; A131-L153 VanDerWaalsContact O-CD1 3.31Å; A131-L153 WeakPolarHBondContact O-CD1 3.35Å; A131-V160 HydrophobicContact CB-CB 4.37Å; A131-V160 HydrophobicContact CB-CG1 3.57Å; A131-V160 HydrophobicContact CB-CG2 3.93Å; A131-I162 HydrophobicContact CB-CD1 3.8Å |
| 132 | T | 94 | Very high | 91.1 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.1 | -42.9 | 174.5 | -50.5 | 0 | 0 | 0 | 0 | 110.7 | P97 L102 C128 R129 S130 A135 A136 Q166 L170 | P97-T132 HydrophobicContact CG-CG2 3.89Å; L102-T132 HydrophobicContact CD2-CG2 4.42Å; C128-T132 PolarHBondContact O-N 3Å; C128-T132 PolarHBondContact O-OG1 3.23Å; R129-T132 WeakPolarHBondContact O-CB 3.15Å; R129-T132 PolarHBondContact O-N 3.17Å; S130-T132 VanDerWaalsContact C-N 3.3Å; S130-T132 PolarHBondContact O-N 3.42Å; T132-A135 WeakPolarHBondContact O-CB 3.23Å; T132-A135 PolarHBondContact O-N 3.12Å; T132-A136 PolarHBondContact O-N 3Å; T132-Q166 HydrophobicContact CG2-CB 4.03Å; T132-Q166 HydrophobicContact CG2-CG 4.27Å; T132-Q166 WeakPolarHBondContact OG1-CG 3.42Å; T132-L170 HydrophobicContact CG2-CD1 4.34Å; T132-L170 HydrophobicContact CG2-CD2 3.99Å; T132-L170 HydrophobicContact CG2-CG 4.04Å; T132-L170 WeakPolarHBondContact O-CD2 3.44Å |
| 133 | L | 95.4 | Very high | 91.2 | Very high | 3 Ų | 3 | 25.2 Ų | 25.2 | 2% | 0.016 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.1 | -41.9 | 176 | -172.8 | 70.9 | 0 | 0 | 0 | 112.2 | I60 M62 L88 L102 V106 V121 R129 S130 A135 A136 Y137 | I60-L133 HydrophobicContact CB-CD2 4.33Å; I60-L133 HydrophobicContact CD1-CD2 3.68Å; I60-L133 HydrophobicContact CG2-CD2 3.65Å; M62-L133 HydrophobicContact CE-CB 4.28Å; M62-L133 HydrophobicContact SD-CB 3.71Å; M62-L133 HydrophobicContact SD-CD2 4.01Å; M62-L133 HydrophobicContact SD-CG 4.47Å; L88-L133 HydrophobicContact CD1-CD2 4.26Å; L102-L133 HydrophobicContact CD2-CB 4.37Å; L102-L133 HydrophobicContact CD2-CD1 3.7Å; V106-L133 HydrophobicContact CG2-CD1 4.17Å; V121-L133 HydrophobicContact CG1-CB 4.36Å; V121-L133 HydrophobicContact CG1-CD2 3.84Å; V121-L133 HydrophobicContact CG1-CG 4.5Å; R129-L133 PolarHBondContact O-N 2.95Å; S130-L133 PolarHBondContact O-N 2.66Å; L133-A135 PolarHBondContact O-N 3.08Å; L133-A136 WeakPolarHBondContact O-CB 3.42Å; L133-A136 PolarHBondContact O-N 3.22Å; L133-Y137 PolarHBondContact O-N 3.28Å |
| 134 | A | 96.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.008 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.8 | -36.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V36 L38 S130 A131 Y137 I138 L153 | V36-A134 HydrophobicContact CG1-CB 4.4Å; L38-A134 HydrophobicContact CD1-CB 4.44Å; L38-A134 HydrophobicContact CD2-CB 4.31Å; S130-A134 PolarHBondContact O-N 3.44Å; A131-A134 PolarHBondContact O-N 3.14Å; A134-Y137 WeakPolarHBondContact O-CB 3.18Å; A134-Y137 PolarHBondContact O-N 3.37Å; A134-I138 WeakPolarHBondContact O-CD1 3.47Å; A134-I138 VanDerWaalsContact O-CG1 3.32Å; A134-I138 WeakPolarHBondContact O-CG1 3.31Å; A134-I138 PolarHBondContact O-N 3.32Å; A134-I138 VanDerWaalsContact O-N 3.07Å; A134-L153 HydrophobicContact CB-CD1 4.07Å; A134-L153 HydrophobicContact CB-CD2 4.03Å |
| 135 | A | 96.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.6 | -43.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | A131 T132 L133 Y137 I138 I139 L153 L170 | A131-A135 WeakPolarHBondContact O-CB 3.44Å; A131-A135 PolarHBondContact O-N 3.29Å; T132-A135 WeakPolarHBondContact O-CB 3.23Å; T132-A135 PolarHBondContact O-N 3.12Å; L133-A135 PolarHBondContact O-N 3.08Å; A135-Y137 VanDerWaalsContact C-N 3.27Å; A135-Y137 PolarHBondContact O-N 3.34Å; A135-I138 PolarHBondContact O-N 2.99Å; A135-I139 VanDerWaalsContact O-CG1 3.31Å; A135-I139 WeakPolarHBondContact O-CG1 3.47Å; A135-I139 PolarHBondContact O-N 3.07Å; A135-L153 HydrophobicContact CB-CD1 3.68Å; A135-L170 HydrophobicContact CB-CD1 3.66Å; A135-L170 HydrophobicContact CB-CD2 3.92Å; A135-L170 HydrophobicContact CB-CG 4.46Å |
| 136 | A | 96.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.9 | -38.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | L102 V106 T132 L133 I139 R140 L170 Y173 | L102-A136 HydrophobicContact CB-CB 4.46Å; L102-A136 HydrophobicContact CD1-CB 4.46Å; L102-A136 HydrophobicContact CD2-CB 3.92Å; V106-A136 HydrophobicContact CG2-CB 3.86Å; T132-A136 PolarHBondContact O-N 3Å; L133-A136 WeakPolarHBondContact O-CB 3.42Å; L133-A136 PolarHBondContact O-N 3.22Å; A136-I139 PolarHBondContact O-N 2.97Å; A136-R140 WeakPolarHBondContact O-CB 3.43Å; A136-R140 PolarHBondContact O-N 3.26Å; A136-L170 HydrophobicContact CB-CD2 3.88Å; A136-Y173 HydrophobicContact CB-CD1 3.95Å; A136-Y173 HydrophobicContact CB-CE1 3.9Å; A136-Y173 HydrophobicContact CB-CG 4.43Å; A136-Y173 WeakPolarHBondContact O-CE1 3.33Å |
| 137 | Y | 97.4 | Very high | 93.9 | Very high | 4 Ų | 4 | 32.2 Ų | 32.2 | 2% | 0.016 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.8 | -48.2 | 173.6 | 171.6 | -95.7 | 0 | 0 | 0 | 112.1 | D33 T35 V36 V106 A109 L110 R113 L133 A134 A135 I139 R140 I141 | D33-Y137 WeakPolarHBondContact OD2-CE1 3.34Å; D33-Y137 PolarHBondContact OD2-OH 2.91Å; T35-Y137 WeakPolarHBondContact CB-OH 3.37Å; V36-Y137 HydrophobicContact CB-CD1 4.21Å; V36-Y137 HydrophobicContact CB-CE1 4.07Å; V36-Y137 HydrophobicContact CG2-CD1 3.57Å; V36-Y137 HydrophobicContact CG2-CD2 4.01Å; V36-Y137 HydrophobicContact CG2-CE1 3.45Å; V36-Y137 VanDerWaalsContact CG2-CE1 3.45Å; V36-Y137 HydrophobicContact CG2-CE2 3.88Å; V36-Y137 HydrophobicContact CG2-CG 3.84Å; V106-Y137 HydrophobicContact CG1-CD2 4.44Å; A109-Y137 HydrophobicContact CB-CD2 3.71Å; A109-Y137 HydrophobicContact CB-CE2 3.85Å; L110-Y137 HydrophobicContact CD2-CE2 3.97Å; L110-Y137 HydrophobicContact CG-CE2 4.46Å; R113-Y137 WeakPolarHBondContact CD-OH 3.3Å; R113-Y137 PolarHBondContact NH1-OH 2.95Å; L133-Y137 PolarHBondContact O-N 3.28Å; A134-Y137 WeakPolarHBondContact O-CB 3.18Å; A134-Y137 PolarHBondContact O-N 3.37Å; A135-Y137 VanDerWaalsContact C-N 3.27Å; A135-Y137 PolarHBondContact O-N 3.34Å; Y137-I139 VanDerWaalsContact C-N 3.33Å; Y137-I139 PolarHBondContact O-N 3.21Å; Y137-R140 WeakPolarHBondContact O-CB 3.3Å; Y137-R140 PolarHBondContact O-N 2.88Å; Y137-R140 VanDerWaalsContact O-N 3.08Å; Y137-I141 HydrophobicContact CD1-CD1 4.3Å; Y137-I141 HydrophobicContact CE1-CD1 3.78Å; Y137-I141 HydrophobicContact CE1-CG2 4.44Å; Y137-I141 HydrophobicContact CE2-CG2 4.16Å; Y137-I141 WeakPolarHBondContact O-CG1 3.43Å; Y137-I141 PolarHBondContact O-N 3.28Å; Y137-I141 VanDerWaalsContact O-N 3.12Å |
| 138 | I | 96.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59 | -45.7 | 177.3 | -67.3 | 158.7 | 0 | 0 | 0 | 111 | V32 A134 A135 R140 I141 H142 W144 A149 M152 L153 | V32-I138 HydrophobicContact CG1-CD1 3.88Å; V32-I138 HydrophobicContact CG1-CG1 4.26Å; A134-I138 WeakPolarHBondContact O-CD1 3.47Å; A134-I138 VanDerWaalsContact O-CG1 3.32Å; A134-I138 WeakPolarHBondContact O-CG1 3.31Å; A134-I138 PolarHBondContact O-N 3.32Å; A134-I138 VanDerWaalsContact O-N 3.07Å; A135-I138 PolarHBondContact O-N 2.99Å; I138-R140 VanDerWaalsContact C-N 3.26Å; I138-R140 PolarHBondContact O-N 3.07Å; I138-I141 VanDerWaalsContact O-CG1 3.23Å; I138-I141 WeakPolarHBondContact O-CG1 3.39Å; I138-I141 PolarHBondContact O-N 3.2Å; I138-H142 PolarHBondContact O-N 2.88Å; I138-W144 HydrophobicContact CG2-CE3 3.67Å; I138-W144 HydrophobicContact CG2-CZ3 4.03Å; I138-A149 HydrophobicContact CB-CB 4.11Å; I138-A149 HydrophobicContact CG2-CB 3.78Å; I138-M152 HydrophobicContact CB-CE 4.4Å; I138-M152 HydrophobicContact CD1-CE 3.24Å; I138-M152 HydrophobicContact CD1-SD 4.02Å; I138-M152 HydrophobicContact CG1-CE 3.5Å; I138-M152 VanDerWaalsContact CG1-CE 3.5Å; I138-M152 HydrophobicContact CG2-CE 3.97Å; I138-L153 HydrophobicContact CD1-CD1 4.04Å; I138-L153 HydrophobicContact CD1-CD2 3.66Å; I138-L153 HydrophobicContact CD1-CG 3.49Å; I138-L153 VanDerWaalsContact CD1-CG 3.49Å |
| 139 | I | 96.6 | Very high | 95 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -55.9 | -45.1 | 175 | -70.4 | 166.2 | 0 | 0 | 0 | 110.2 | A135 A136 Y137 I141 C143 P146 A149 L170 Y173 H174 V177 | A135-I139 VanDerWaalsContact O-CG1 3.31Å; A135-I139 WeakPolarHBondContact O-CG1 3.47Å; A135-I139 PolarHBondContact O-N 3.07Å; A136-I139 PolarHBondContact O-N 2.97Å; Y137-I139 VanDerWaalsContact C-N 3.33Å; Y137-I139 PolarHBondContact O-N 3.21Å; I139-I141 VanDerWaalsContact C-N 3.34Å; I139-I141 PolarHBondContact O-N 3.39Å; I139-C143 WeakPolarHBondContact O-CA 3.2Å; I139-C143 PolarHBondContact O-N 3.36Å; I139-P146 HydrophobicContact CD1-CB 4.29Å; I139-P146 HydrophobicContact CD1-CG 4.18Å; I139-A149 HydrophobicContact CD1-CB 4.37Å; I139-A149 HydrophobicContact CG1-CB 3.75Å; I139-L170 HydrophobicContact CD1-CB 4.04Å; I139-L170 HydrophobicContact CD1-CD2 4.01Å; I139-Y173 HydrophobicContact CG2-CD1 4.17Å; I139-Y173 HydrophobicContact CG2-CE1 4.36Å; I139-H174 HydrophobicContact CG2-CB 3.98Å; I139-V177 HydrophobicContact CG2-CG2 4Å |
| 140 | R | 95.8 | Very high | 95.3 | Very high | 116 Ų | 116 | 31.6 Ų | 31.6 | 44% | 0.438 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -64.8 | -35.8 | -177.3 | -177.8 | 59.7 | 175 | 146.8 | -0.2 | 113.4 | V106 L110 A136 Y137 I138 Y173 | V106-R140 HydrophobicContact CG1-CB 3.63Å; V106-R140 HydrophobicContact CG1-CG 3.62Å; L110-R140 HydrophobicContact CD1-CG 3.82Å; A136-R140 WeakPolarHBondContact O-CB 3.43Å; A136-R140 PolarHBondContact O-N 3.26Å; Y137-R140 WeakPolarHBondContact O-CB 3.3Å; Y137-R140 PolarHBondContact O-N 2.88Å; Y137-R140 VanDerWaalsContact O-N 3.08Å; I138-R140 VanDerWaalsContact C-N 3.26Å; I138-R140 PolarHBondContact O-N 3.07Å; R140-Y173 HydrophobicContact CB-CE1 4.41Å |
| 141 | I | 95.4 | Very high | 95.5 | Very high | 41 Ų | 41 | 38.5 Ų | 38.5 | 21% | 0.21 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -87 | -24.9 | -176.6 | 60.9 | 169.6 | 0 | 0 | 0 | 113.7 | L110 Y137 I138 I139 | L110-I141 HydrophobicContact CD2-CG2 3.74Å; Y137-I141 HydrophobicContact CD1-CD1 4.3Å; Y137-I141 HydrophobicContact CE1-CD1 3.78Å; Y137-I141 HydrophobicContact CE1-CG2 4.44Å; Y137-I141 HydrophobicContact CE2-CG2 4.16Å; Y137-I141 WeakPolarHBondContact O-CG1 3.43Å; Y137-I141 PolarHBondContact O-N 3.28Å; Y137-I141 VanDerWaalsContact O-N 3.12Å; I138-I141 VanDerWaalsContact O-CG1 3.23Å; I138-I141 WeakPolarHBondContact O-CG1 3.39Å; I138-I141 PolarHBondContact O-N 3.2Å; I139-I141 VanDerWaalsContact C-N 3.34Å; I139-I141 PolarHBondContact O-N 3.39Å |
| 142 | H | 94.3 | Very high | 95.6 | Very high | 88 Ų | 88 | 40.4 Ų | 40.4 | 41% | 0.407 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -119.5 | -10.6 | -174.2 | -66 | -53.4 | 0 | 0 | 0 | 114.6 | I138 W144 | I138-H142 PolarHBondContact O-N 2.88Å; H142-W144 HydrophobicContact CB-CB 4.46Å; H142-W144 HydrophobicContact CB-CD2 3.73Å; H142-W144 HydrophobicContact CB-CE3 4.47Å; H142-W144 HydrophobicContact CB-CG 3.69Å; H142-W144 HydrophobicContact CB-CZ2 4.35Å; H142-W144 AromaticContact CG-CE2 3.94Å; H142-W144 PolarHBondContact O-N 3.37Å |
| 143 | C | 94.1 | Very high | 95.6 | Very high | 75 Ų | 75 | 40.4 Ų | 40.4 | 51% | 0.507 | 20% | 0.195 | S | C | . | . | trans | 52.6 | 31.9 | -170 | -61.1 | 0 | 0 | 0 | 0 | 113.3 | I139 C178 | I139-C143 WeakPolarHBondContact O-CA 3.2Å; I139-C143 PolarHBondContact O-N 3.36Å; C143-C178 VanDerWaalsContact CA-SG 3.6Å; C143-C178 HydrophobicContact CB-CB 4.21Å; C143-C178 PolarHBondContact SG-SG 2.92Å | ||
| 144 | W | 95.3 | Very high | 95.4 | Very high | 96 Ų | 96 | 42.2 Ų | 42.2 | 36% | 0.364 | 21% | 0.21 | S | C | . | . | trans | -73.9 | 154 | 175 | -70.6 | -8.9 | 0 | 0 | 0 | 111.5 | I138 H142 E148 M152 H174 | I138-W144 HydrophobicContact CG2-CE3 3.67Å; I138-W144 HydrophobicContact CG2-CZ3 4.03Å; H142-W144 HydrophobicContact CB-CB 4.46Å; H142-W144 HydrophobicContact CB-CD2 3.73Å; H142-W144 HydrophobicContact CB-CE3 4.47Å; H142-W144 HydrophobicContact CB-CG 3.69Å; H142-W144 HydrophobicContact CB-CZ2 4.35Å; H142-W144 AromaticContact CG-CE2 3.94Å; H142-W144 PolarHBondContact O-N 3.37Å; W144-E148 HydrophobicContact CB-CB 4.08Å; W144-M152 HydrophobicContact CZ3-CB 4.05Å; W144-M152 HydrophobicContact CZ3-CE 4.46Å; W144-M152 HydrophobicContact CZ3-CG 4.11Å; W144-H174 PolarHBondContact O-CD2 3.43Å | ||
| 145 | S | 96.1 | Very high | 95.3 | Very high | 35 Ų | 35 | 46.5 Ų | 46.5 | 25% | 0.245 | 24% | 0.24 | C | C | . | . | trans | -59.5 | 151 | 171.1 | 65.2 | 0 | 0 | 0 | 0 | 110.8 | E147 E148 A149 | S145-E147 PolarHBondContact O-N 2.85Å; S145-E148 WeakPolarHBondContact CB-OE2 3.48Å; S145-E148 PolarHBondContact N-OE2 3.27Å; S145-E148 PolarHBondContact O-N 3.48Å; S145-E148 VanDerWaalsContact O-N 3.14Å; S145-E148 WeakPolarHBondContact OG-CB 3.42Å; S145-E148 WeakPolarHBondContact OG-CG 3.44Å; S145-E148 PolarHBondContact OG-N 3.42Å; S145-E148 PolarHBondContact OG-OE2 3.17Å; S145-A149 PolarHBondContact O-N 2.92Å | ||
| 146 | P | 95.8 | Very high | 95.1 | Very high | 5 Ų | 5 | 48.5 Ų | 48.5 | 3% | 0.032 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -52.5 | -36.6 | 174.8 | -30.5 | 38.9 | 0 | 0 | 0 | 113.7 | I139 C150 L167 L170 R171 H174 | I139-P146 HydrophobicContact CD1-CB 4.29Å; I139-P146 HydrophobicContact CD1-CG 4.18Å; P146-C150 WeakPolarHBondContact O-CB 3.25Å; P146-C150 PolarHBondContact O-N 3.19Å; P146-C150 PolarHBondContact O-SG 3.25Å; P146-L167 HydrophobicContact CB-CD1 3.71Å; P146-L170 HydrophobicContact CB-CB 3.83Å; P146-L170 HydrophobicContact CG-CB 4.23Å; P146-R171 HydrophobicContact CB-CG 4.21Å; P146-R171 HydrophobicContact CG-CB 4.35Å; P146-R171 HydrophobicContact CG-CG 3.75Å; P146-H174 HydrophobicContact CG-CB 4.02Å |
| 147 | E | 95.4 | Very high | 94.8 | Very high | 80 Ų | 80 | 48.7 Ų | 48.7 | 37% | 0.374 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.7 | -47.7 | 177.8 | -67.4 | 73.2 | -164.6 | 0 | 0 | 111.7 | S145 C150 Q151 R171 | S145-E147 PolarHBondContact O-N 2.85Å; E147-C150 PolarHBondContact O-N 3.42Å; E147-Q151 WeakPolarHBondContact O-CB 3.3Å; E147-Q151 PolarHBondContact O-N 2.92Å; E147-R171 IonicContact OE1-CZ 3.31Å; E147-R171 VanDerWaalsContact OE1-CZ 3.31Å; E147-R171 IonicContact OE1-NE 3.03Å; E147-R171 PolarHBondContact OE1-NE 3.15Å; E147-R171 IonicContact OE1-NH2 2.72Å; E147-R171 PolarHBondContact OE1-NH2 3.09Å |
| 148 | E | 96.1 | Very high | 94.4 | Very high | 98 Ų | 98 | 53.7 Ų | 53.7 | 46% | 0.458 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.6 | -43.9 | 176.3 | -73.6 | 164.3 | 139.3 | 0 | 0 | 111.8 | W144 S145 C150 Q151 M152 | W144-E148 HydrophobicContact CB-CB 4.08Å; S145-E148 WeakPolarHBondContact CB-OE2 3.48Å; S145-E148 PolarHBondContact N-OE2 3.27Å; S145-E148 PolarHBondContact O-N 3.48Å; S145-E148 VanDerWaalsContact O-N 3.14Å; S145-E148 WeakPolarHBondContact OG-CB 3.42Å; S145-E148 WeakPolarHBondContact OG-CG 3.44Å; S145-E148 PolarHBondContact OG-N 3.42Å; S145-E148 PolarHBondContact OG-OE2 3.17Å; E148-C150 VanDerWaalsContact C-N 3.33Å; E148-C150 PolarHBondContact O-N 2.74Å; E148-Q151 PolarHBondContact O-N 3.03Å; E148-M152 PolarHBondContact O-N 3.42Å |
| 149 | A | 96 | Very high | 93.8 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I138 I139 S145 L153 | I138-A149 HydrophobicContact CB-CB 4.11Å; I138-A149 HydrophobicContact CG2-CB 3.78Å; I139-A149 HydrophobicContact CD1-CB 4.37Å; I139-A149 HydrophobicContact CG1-CB 3.75Å; S145-A149 PolarHBondContact O-N 2.92Å; A149-L153 PolarHBondContact O-N 3.12Å; A149-L153 VanDerWaalsContact O-N 3.11Å |
| 150 | C | 94.6 | Very high | 93.4 | Very high | 20 Ų | 20 | 55.9 Ų | 55.9 | 14% | 0.135 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.4 | -40 | 175.6 | -69.5 | 0 | 0 | 0 | 0 | 112.1 | P146 E147 E148 L153 A154 | P146-C150 WeakPolarHBondContact O-CB 3.25Å; P146-C150 PolarHBondContact O-N 3.19Å; P146-C150 PolarHBondContact O-SG 3.25Å; E147-C150 PolarHBondContact O-N 3.42Å; E148-C150 VanDerWaalsContact C-N 3.33Å; E148-C150 PolarHBondContact O-N 2.74Å; C150-L153 PolarHBondContact O-N 3.46Å; C150-A154 WeakPolarHBondContact O-CB 3.35Å; C150-A154 PolarHBondContact O-N 3Å |
| 151 | Q | 95 | Very high | 93 | Very high | 145 Ų | 145 | 53.9 Ų | 53.9 | 68% | 0.678 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -64.8 | -42.1 | 177.7 | -175.7 | 175.5 | -3.1 | 0 | 0 | 111.6 | E147 E148 A154 S155 | E147-Q151 WeakPolarHBondContact O-CB 3.3Å; E147-Q151 PolarHBondContact O-N 2.92Å; E148-Q151 PolarHBondContact O-N 3.03Å; Q151-A154 PolarHBondContact O-N 3.22Å; Q151-S155 PolarHBondContact O-N 2.97Å |
| 152 | M | 94.9 | Very high | 92.6 | Very high | 40 Ų | 40 | 53.8 Ų | 53.8 | 20% | 0.197 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.8 | -47.1 | 174.9 | -175.6 | -83 | -97.6 | 0 | 0 | 110.7 | V32 I138 W144 E148 A154 S155 V156 | V32-M152 HydrophobicContact CG1-CE 3.87Å; V32-M152 HydrophobicContact CG1-SD 4.2Å; I138-M152 HydrophobicContact CB-CE 4.4Å; I138-M152 HydrophobicContact CD1-CE 3.24Å; I138-M152 HydrophobicContact CD1-SD 4.02Å; I138-M152 HydrophobicContact CG1-CE 3.5Å; I138-M152 VanDerWaalsContact CG1-CE 3.5Å; I138-M152 HydrophobicContact CG2-CE 3.97Å; W144-M152 HydrophobicContact CZ3-CB 4.05Å; W144-M152 HydrophobicContact CZ3-CE 4.46Å; W144-M152 HydrophobicContact CZ3-CG 4.11Å; E148-M152 PolarHBondContact O-N 3.42Å; M152-A154 VanDerWaalsContact C-N 3.31Å; M152-A154 PolarHBondContact O-N 3.05Å; M152-S155 WeakPolarHBondContact O-CB 3.21Å; M152-S155 PolarHBondContact O-N 3.27Å; M152-S155 VanDerWaalsContact O-N 3.07Å; M152-S155 PolarHBondContact O-OG 3.45Å; M152-V156 PolarHBondContact O-N 3.27Å; M152-V156 HydrophobicContact SD-CG2 4.06Å |
| 153 | L | 93.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.2 | -39.6 | 175.9 | -78.2 | 176.6 | 0 | 0 | 0 | 113.2 | V32 L38 A131 A134 A135 I138 A149 C150 S155 V156 R157 | V32-L153 HydrophobicContact CB-CD2 4.44Å; V32-L153 HydrophobicContact CG1-CD2 3.75Å; V32-L153 HydrophobicContact CG2-CD2 3.74Å; L38-L153 HydrophobicContact CD2-CD2 4.19Å; A131-L153 VanDerWaalsContact O-CD1 3.31Å; A131-L153 WeakPolarHBondContact O-CD1 3.35Å; A134-L153 HydrophobicContact CB-CD1 4.07Å; A134-L153 HydrophobicContact CB-CD2 4.03Å; A135-L153 HydrophobicContact CB-CD1 3.68Å; I138-L153 HydrophobicContact CD1-CD1 4.04Å; I138-L153 HydrophobicContact CD1-CD2 3.66Å; I138-L153 HydrophobicContact CD1-CG 3.49Å; I138-L153 VanDerWaalsContact CD1-CG 3.49Å; A149-L153 PolarHBondContact O-N 3.12Å; A149-L153 VanDerWaalsContact O-N 3.11Å; C150-L153 PolarHBondContact O-N 3.46Å; L153-S155 VanDerWaalsContact C-N 3.27Å; L153-S155 PolarHBondContact O-N 3.09Å; L153-V156 PolarHBondContact O-N 3.21Å; L153-R157 PolarHBondContact O-N 2.81Å |
| 154 | A | 92.4 | Very high | 92.1 | Very high | 41 Ų | 41 | 58 Ų | 58 | 34% | 0.339 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65 | -31.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | C150 Q151 M152 R157 P158 | C150-A154 WeakPolarHBondContact O-CB 3.35Å; C150-A154 PolarHBondContact O-N 3Å; Q151-A154 PolarHBondContact O-N 3.22Å; M152-A154 VanDerWaalsContact C-N 3.31Å; M152-A154 PolarHBondContact O-N 3.05Å; A154-R157 CarbonylContact O-C 3.4Å; A154-P158 WeakPolarHBondContact O-CA 3.49Å |
| 155 | S | 93.1 | Very high | 91.8 | Very high | 91 Ų | 91 | 55.8 Ų | 55.8 | 64% | 0.636 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -68 | -35.4 | 174.7 | 79.7 | 0 | 0 | 0 | 0 | 112.5 | Q151 M152 L153 | Q151-S155 PolarHBondContact O-N 2.97Å; M152-S155 WeakPolarHBondContact O-CB 3.21Å; M152-S155 PolarHBondContact O-N 3.27Å; M152-S155 VanDerWaalsContact O-N 3.07Å; M152-S155 PolarHBondContact O-OG 3.45Å; L153-S155 VanDerWaalsContact C-N 3.27Å; L153-S155 PolarHBondContact O-N 3.09Å |
| 156 | V | 92.1 | Very high | 91.5 | Very high | 42 Ų | 42 | 54.1 Ų | 54.1 | 26% | 0.255 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -81.4 | -37.7 | 178.4 | 173.6 | 0 | 0 | 0 | 0 | 112 | N30 R31 M152 L153 | N30-V156 HydrophobicContact CB-CG1 3.75Å; N30-V156 PolarHBondContact ND2-O 3.14Å; R31-V156 VanDerWaalsContact O-CG1 3.32Å; R31-V156 WeakPolarHBondContact O-CG1 3.49Å; M152-V156 PolarHBondContact O-N 3.27Å; M152-V156 HydrophobicContact SD-CG2 4.06Å; L153-V156 PolarHBondContact O-N 3.21Å |
| 157 | R | 91 | Very high | 91.4 | Very high | 5 Ų | 5 | 55.5 Ų | 55.5 | 2% | 0.019 | 30% | 0.304 | C | S | . | . | trans | -139.3 | 85.3 | -176 | -168.1 | 172.5 | 178.3 | 80.9 | -6.8 | 110.2 | R27 W28 N30 A125 G126 L153 A154 H159 V160 | R27-R157 PolarHBondContact O-NH1 2.63Å; W28-R157 PolarHBondContact O-NH1 3.4Å; W28-R157 PolarHBondContact O-NH2 2.72Å; N30-R157 HydrophobicContact CB-CB 4.43Å; N30-R157 WeakPolarHBondContact OD1-CG 3.37Å; N30-R157 PolarHBondContact OD1-NH1 3.46Å; A125-R157 PolarHBondContact O-NH2 3.03Å; G126-R157 PolarHBondContact O-NE 2.96Å; L153-R157 PolarHBondContact O-N 2.81Å; A154-R157 CarbonylContact O-C 3.4Å; R157-H159 WeakPolarHBondContact CG-CE1 3.32Å; R157-H159 PolarHBondContact NE-NE2 2.92Å; R157-H159 PolarHBondContact NH1-CE1 2.84Å; R157-H159 PolarHBondContact NH1-NE2 3.32Å; R157-H159 PolarHBondContact NH2-NE2 3.4Å; R157-H159 PolarHBondContact O-N 2.83Å; R157-V160 HydrophobicContact CB-CG2 3.88Å; R157-V160 HydrophobicContact CG-CG2 3.94Å; R157-V160 WeakPolarHBondContact O-CB 3.35Å; R157-V160 WeakPolarHBondContact O-CG2 3.46Å; R157-V160 PolarHBondContact O-N 3.17Å | ||
| 158 | P | 87.8 | Confident | 91.3 | Very high | 109 Ų | 109 | 56.4 Ų | 56.4 | 71% | 0.708 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -19.4 | -170.3 | -28.2 | 35.8 | 0 | 0 | 0 | 116.5 | A154 | A154-P158 WeakPolarHBondContact O-CA 3.49Š|
| 159 | H | 85.2 | Confident | 91.1 | Very high | 27 Ų | 27 | 52.7 Ų | 52.7 | 13% | 0.125 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 7.5 | 178.9 | 59 | -73.8 | 0 | 0 | 0 | 114.2 | R127 R157 | R127-H159 WeakPolarHBondContact CG-O 3.47Å; R127-H159 PolarHBondContact NE-O 3.36Å; R157-H159 WeakPolarHBondContact CG-CE1 3.32Å; R157-H159 PolarHBondContact NE-NE2 2.92Å; R157-H159 PolarHBondContact NH1-CE1 2.84Å; R157-H159 PolarHBondContact NH1-NE2 3.32Å; R157-H159 PolarHBondContact NH2-NE2 3.4Å; R157-H159 PolarHBondContact O-N 2.83Å |
| 160 | V | 88.1 | Confident | 91 | Very high | 20 Ų | 20 | 52.7 Ų | 52.7 | 12% | 0.121 | 29% | 0.291 | C | S | . | . | trans | -60.3 | 140.4 | 166.7 | 165.2 | 0 | 0 | 0 | 0 | 110.1 | L38 A131 R157 I162 | L38-V160 HydrophobicContact CD2-CG2 3.98Å; A131-V160 HydrophobicContact CB-CB 4.37Å; A131-V160 HydrophobicContact CB-CG1 3.57Å; A131-V160 HydrophobicContact CB-CG2 3.93Å; R157-V160 HydrophobicContact CB-CG2 3.88Å; R157-V160 HydrophobicContact CG-CG2 3.94Å; R157-V160 WeakPolarHBondContact O-CB 3.35Å; R157-V160 WeakPolarHBondContact O-CG2 3.46Å; R157-V160 PolarHBondContact O-N 3.17Å; V160-I162 HydrophobicContact CG1-CD1 4.1Å; V160-I162 HydrophobicContact CG1-CG1 3.97Å | ||
| 161 | I | 86.8 | Confident | 91.1 | Very high | 73 Ų | 73 | 56.8 Ų | 56.8 | 37% | 0.374 | 30% | 0.304 | S | S | . | . | trans | -133.2 | 108 | 177.6 | -60 | 178.2 | 0 | 0 | 0 | 107.6 | R127 C128 R163 | R127-I161 CarbonylContact O-C 3.58Å; R127-I161 PolarHBondContact O-N 2.97Å; R127-I161 VanDerWaalsContact O-O 3.13Å; C128-I161 WeakPolarHBondContact CA-O 3.48Å; I161-R163 HydrophobicContact CG2-CG 4.22Å | ||
| 162 | I | 87.8 | Confident | 91.1 | Very high | 39 Ų | 39 | 56.9 Ų | 56.9 | 20% | 0.2 | 30% | 0.298 | C | S | . | . | trans | -102.8 | 116.5 | 168.6 | -55.1 | -57.9 | 0 | 0 | 0 | 106.7 | A131 V160 Q166 L167 L170 | A131-I162 HydrophobicContact CB-CD1 3.8Å; V160-I162 HydrophobicContact CG1-CD1 4.1Å; V160-I162 HydrophobicContact CG1-CG1 3.97Å; I162-Q166 HydrophobicContact CG2-CB 3.78Å; I162-L167 HydrophobicContact CG2-CB 4.2Å; I162-L170 HydrophobicContact CG2-CD1 4.22Å | ||
| 163 | R | 88.8 | Confident | 91.1 | Very high | 160 Ų | 160 | 55.1 Ų | 55.1 | 60% | 0.604 | 29% | 0.289 | S | S | * | . | trans | -88.3 | 169.8 | 177.6 | -39 | 172.6 | 167.6 | -113 | -1.3 | 109.7 | I161 S165 Q166 L167 | I161-R163 HydrophobicContact CG2-CG 4.22Å; R163-S165 VanDerWaalsContact C-N 3.25Å; R163-S165 PolarHBondContact O-N 3.33Å; R163-Q166 VanDerWaalsContact N-OE1 3.1Å; R163-Q166 PolarHBondContact O-N 3.11Å; R163-Q166 PolarHBondContact O-OE1 2.94Å; R163-L167 PolarHBondContact O-N 3.26Å | ||
| 164 | S | 88.9 | Confident | 91.2 | Very high | 91 Ų | 91 | 57.4 Ų | 57.4 | 64% | 0.636 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -53.7 | -40.2 | -177.5 | -45.6 | 0 | 0 | 0 | 0 | 113.2 | L167 E168 | S164-L167 PolarHBondContact O-N 2.95Å; S164-E168 WeakPolarHBondContact O-CG 3.45Å; S164-E168 PolarHBondContact O-N 2.92Å |
| 165 | S | 88.6 | Confident | 91.3 | Very high | 50 Ų | 50 | 61.8 Ų | 61.8 | 35% | 0.35 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.8 | -37.9 | 178.2 | 55.5 | 0 | 0 | 0 | 0 | 113.4 | V96 R163 M169 | V96-S165 WeakPolarHBondContact CG2-OG 3.42Å; R163-S165 VanDerWaalsContact C-N 3.25Å; R163-S165 PolarHBondContact O-N 3.33Å; S165-M169 PolarHBondContact O-N 3.31Å; S165-M169 VanDerWaalsContact O-N 3.16Å |
| 166 | Q | 90 | Very high | 91.3 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.3 | -39.9 | 171.8 | -71.3 | 87.6 | 5.9 | 0 | 0 | 111.3 | T94 G95 V96 C128 T132 I162 R163 M169 L170 | T94-Q166 PolarHBondContact O-NE2 3.41Å; G95-Q166 PolarHBondContact O-NE2 3.17Å; G95-Q166 VanDerWaalsContact O-NE2 3.12Å; V96-Q166 HydrophobicContact CG1-CG 4.5Å; V96-Q166 HydrophobicContact CG2-CG 4Å; C128-Q166 PolarHBondContact SG-NE2 2.84Å; T132-Q166 HydrophobicContact CG2-CB 4.03Å; T132-Q166 HydrophobicContact CG2-CG 4.27Å; T132-Q166 WeakPolarHBondContact OG1-CG 3.42Å; I162-Q166 HydrophobicContact CG2-CB 3.78Å; R163-Q166 VanDerWaalsContact N-OE1 3.1Å; R163-Q166 PolarHBondContact O-N 3.11Å; R163-Q166 PolarHBondContact O-OE1 2.94Å; Q166-M169 WeakPolarHBondContact O-CA 3.35Å; Q166-M169 WeakPolarHBondContact O-CB 3.32Å; Q166-M169 PolarHBondContact O-N 3.3Å; Q166-M169 VanDerWaalsContact O-N 3.11Å; Q166-L170 WeakPolarHBondContact O-CG 3.41Å; Q166-L170 PolarHBondContact O-N 2.84Å |
| 167 | L | 92.9 | Very high | 91.3 | Very high | 34 Ų | 34 | 62 Ų | 62 | 18% | 0.178 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.5 | -42.5 | 178.7 | -174.8 | 62 | 0 | 0 | 0 | 111.9 | P146 I162 R163 S164 M169 L170 R171 | P146-L167 HydrophobicContact CB-CD1 3.71Å; I162-L167 HydrophobicContact CG2-CB 4.2Å; R163-L167 PolarHBondContact O-N 3.26Å; S164-L167 PolarHBondContact O-N 2.95Å; L167-M169 PolarHBondContact O-N 3.44Å; L167-L170 PolarHBondContact O-N 3.16Å; L167-L170 VanDerWaalsContact O-N 3.17Å; L167-R171 WeakPolarHBondContact O-CG 3.48Å; L167-R171 PolarHBondContact O-N 3.42Å |
| 168 | E | 92.9 | Very high | 91.2 | Very high | 99 Ų | 99 | 63.3 Ų | 63.3 | 46% | 0.463 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -57.3 | -38.2 | 170.6 | -77.3 | 174.1 | -158.3 | 0 | 0 | 111.5 | S164 R171 R172 | S164-E168 WeakPolarHBondContact O-CG 3.45Å; S164-E168 PolarHBondContact O-N 2.92Å; E168-R171 PolarHBondContact O-N 3.35Å; E168-R172 PolarHBondContact O-N 3.04Å; E168-R172 VanDerWaalsContact O-N 3.13Å |
| 169 | M | 92.6 | Very high | 90.3 | Very high | 21 Ų | 21 | 60.7 Ų | 60.7 | 10% | 0.103 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65 | -43.2 | 175.3 | -94.8 | -73.2 | 66.6 | 0 | 0 | 113.5 | V96 L99 S165 Q166 L167 R171 R172 Y173 | V96-M169 HydrophobicContact CG1-CB 4.18Å; V96-M169 HydrophobicContact CG1-CG 3.65Å; L99-M169 HydrophobicContact CD1-CE 3.83Å; L99-M169 HydrophobicContact CD2-CE 3.54Å; L99-M169 HydrophobicContact CD2-SD 3.98Å; L99-M169 HydrophobicContact CG-CE 3.47Å; L99-M169 VanDerWaalsContact CG-CE 3.47Å; L99-M169 HydrophobicContact CG-SD 3.71Å; S165-M169 PolarHBondContact O-N 3.31Å; S165-M169 VanDerWaalsContact O-N 3.16Å; Q166-M169 WeakPolarHBondContact O-CA 3.35Å; Q166-M169 WeakPolarHBondContact O-CB 3.32Å; Q166-M169 PolarHBondContact O-N 3.3Å; Q166-M169 VanDerWaalsContact O-N 3.11Å; L167-M169 PolarHBondContact O-N 3.44Å; M169-R171 VanDerWaalsContact C-N 3.27Å; M169-R171 PolarHBondContact O-N 3.3Å; M169-R172 HydrophobicContact CE-CB 3.59Å; M169-R172 VanDerWaalsContact CE-CD 3.47Å; M169-R172 HydrophobicContact CE-CG 3.79Å; M169-R172 PolarHBondContact O-N 2.95Å; M169-Y173 PolarHBondContact O-N 2.92Å |
| 170 | L | 94.6 | Very high | 89 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.2 | -35.7 | 175.1 | -67 | 171 | 0 | 0 | 0 | 112 | T132 A135 A136 I139 P146 I162 Q166 L167 Y173 H174 | T132-L170 HydrophobicContact CG2-CD1 4.34Å; T132-L170 HydrophobicContact CG2-CD2 3.99Å; T132-L170 HydrophobicContact CG2-CG 4.04Å; T132-L170 WeakPolarHBondContact O-CD2 3.44Å; A135-L170 HydrophobicContact CB-CD1 3.66Å; A135-L170 HydrophobicContact CB-CD2 3.92Å; A135-L170 HydrophobicContact CB-CG 4.46Å; A136-L170 HydrophobicContact CB-CD2 3.88Å; I139-L170 HydrophobicContact CD1-CB 4.04Å; I139-L170 HydrophobicContact CD1-CD2 4.01Å; P146-L170 HydrophobicContact CB-CB 3.83Å; P146-L170 HydrophobicContact CG-CB 4.23Å; I162-L170 HydrophobicContact CG2-CD1 4.22Å; Q166-L170 WeakPolarHBondContact O-CG 3.41Å; Q166-L170 PolarHBondContact O-N 2.84Å; L167-L170 PolarHBondContact O-N 3.16Å; L167-L170 VanDerWaalsContact O-N 3.17Å; L170-Y173 PolarHBondContact O-N 3.26Å; L170-H174 VanDerWaalsContact O-CB 3.32Å; L170-H174 WeakPolarHBondContact O-CB 3.48Å; L170-H174 PolarHBondContact O-N 3.16Å |
| 171 | R | 95.6 | Very high | 87.2 | Confident | 105 Ų | 105 | 65.4 Ų | 65.4 | 40% | 0.396 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.9 | -45.6 | 174.1 | -72 | 175.9 | -172.3 | 145.8 | -1.7 | 112.5 | P146 E147 L167 E168 M169 Y173 H174 Q175 | P146-R171 HydrophobicContact CB-CG 4.21Å; P146-R171 HydrophobicContact CG-CB 4.35Å; P146-R171 HydrophobicContact CG-CG 3.75Å; E147-R171 IonicContact OE1-CZ 3.31Å; E147-R171 VanDerWaalsContact OE1-CZ 3.31Å; E147-R171 IonicContact OE1-NE 3.03Å; E147-R171 PolarHBondContact OE1-NE 3.15Å; E147-R171 IonicContact OE1-NH2 2.72Å; E147-R171 PolarHBondContact OE1-NH2 3.09Å; L167-R171 WeakPolarHBondContact O-CG 3.48Å; L167-R171 PolarHBondContact O-N 3.42Å; E168-R171 PolarHBondContact O-N 3.35Å; M169-R171 VanDerWaalsContact C-N 3.27Å; M169-R171 PolarHBondContact O-N 3.3Å; R171-Y173 VanDerWaalsContact C-N 3.33Å; R171-H174 PolarHBondContact O-N 2.85Å; R171-Q175 WeakPolarHBondContact O-CG 3.32Å; R171-Q175 PolarHBondContact O-N 3.34Å |
| 172 | R | 94.6 | Very high | 85 | Confident | 148 Ų | 148 | 67.1 Ų | 67.1 | 56% | 0.558 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -65.9 | -38.7 | 176 | -56.3 | -168.7 | -162.4 | 165.8 | -3.1 | 111.4 | L99 E168 M169 Q175 Q176 | L99-R172 HydrophobicContact CD1-CB 4.34Å; L99-R172 HydrophobicContact CD2-CB 4.31Å; E168-R172 PolarHBondContact O-N 3.04Å; E168-R172 VanDerWaalsContact O-N 3.13Å; M169-R172 HydrophobicContact CE-CB 3.59Å; M169-R172 VanDerWaalsContact CE-CD 3.47Å; M169-R172 HydrophobicContact CE-CG 3.79Å; M169-R172 PolarHBondContact O-N 2.95Å; R172-Q175 PolarHBondContact O-N 3.02Å; R172-Q176 PolarHBondContact O-N 3.03Å |
| 173 | Y | 95.1 | Very high | 82.6 | Confident | 2 Ų | 2 | 76.9 Ų | 76.9 | 1% | 0.008 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -60.4 | -50.7 | 175 | -176.6 | -97.4 | 0 | 0 | 0 | 111.2 | L99 L102 H103 V106 A136 I139 R140 M169 L170 R171 Q175 Q176 V177 | L99-Y173 HydrophobicContact CD2-CD2 4.33Å; L102-Y173 HydrophobicContact CB-CD2 3.93Å; L102-Y173 HydrophobicContact CB-CE2 4.09Å; L102-Y173 HydrophobicContact CD1-CD2 4.37Å; L102-Y173 HydrophobicContact CD1-CG 4.45Å; H103-Y173 AromaticContact CE1-CD2 3.98Å; H103-Y173 AromaticContact CE1-CE2 3.48Å; H103-Y173 VanDerWaalsContact CE1-CE2 3.48Å; H103-Y173 WeakPolarHBondContact CE1-CE2 3.43Å; H103-Y173 AromaticContact CG-CE2 3.8Å; H103-Y173 AromaticContact ND1-CE2 3.42Å; H103-Y173 WeakPolarHBondContact ND1-CE2 3.38Å; H103-Y173 AromaticContact NE2-CD2 3.96Å; H103-Y173 AromaticContact NE2-CE2 3.84Å; V106-Y173 WeakPolarHBondContact CG1-OH 3.27Å; A136-Y173 HydrophobicContact CB-CD1 3.95Å; A136-Y173 HydrophobicContact CB-CE1 3.9Å; A136-Y173 HydrophobicContact CB-CG 4.43Å; A136-Y173 WeakPolarHBondContact O-CE1 3.33Å; I139-Y173 HydrophobicContact CG2-CD1 4.17Å; I139-Y173 HydrophobicContact CG2-CE1 4.36Å; R140-Y173 HydrophobicContact CB-CE1 4.41Å; M169-Y173 PolarHBondContact O-N 2.92Å; L170-Y173 PolarHBondContact O-N 3.26Å; R171-Y173 VanDerWaalsContact C-N 3.33Å; Y173-Q175 VanDerWaalsContact C-N 3.32Å; Y173-Q175 PolarHBondContact O-N 3.35Å; Y173-Q176 PolarHBondContact O-N 3.42Å; Y173-V177 HydrophobicContact CD1-CG2 3.92Å; Y173-V177 HydrophobicContact CE1-CB 4.47Å; Y173-V177 HydrophobicContact CE1-CG1 3.98Å; Y173-V177 HydrophobicContact CE1-CG2 3.69Å; Y173-V177 HydrophobicContact CE2-CG1 4.02Å; Y173-V177 VanDerWaalsContact O-CG2 3.28Å; Y173-V177 WeakPolarHBondContact O-CG2 3.48Å; Y173-V177 PolarHBondContact O-N 2.92Å |
| 174 | H | 96.3 | Very high | 82.3 | Confident | 48 Ų | 48 | 72.8 Ų | 72.8 | 22% | 0.222 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -54.1 | -45.7 | 176.2 | 175.8 | -89.7 | 0 | 0 | 0 | 112.2 | I139 W144 P146 L170 R171 Q176 V177 C178 | I139-H174 HydrophobicContact CG2-CB 3.98Å; W144-H174 PolarHBondContact O-CD2 3.43Å; P146-H174 HydrophobicContact CG-CB 4.02Å; L170-H174 VanDerWaalsContact O-CB 3.32Å; L170-H174 WeakPolarHBondContact O-CB 3.48Å; L170-H174 PolarHBondContact O-N 3.16Å; R171-H174 PolarHBondContact O-N 2.85Å; H174-Q176 VanDerWaalsContact C-N 3.3Å; H174-Q176 PolarHBondContact O-N 3.34Å; H174-V177 PolarHBondContact O-N 3.2Å; H174-C178 WeakPolarHBondContact O-CA 3.39Å; H174-C178 VanDerWaalsContact O-CB 3.27Å; H174-C178 WeakPolarHBondContact O-CB 3.28Å; H174-C178 PolarHBondContact O-N 3.46Å |
| 175 | Q | 94.1 | Very high | 82 | Confident | 133 Ų | 133 | 71.8 Ų | 71.8 | 62% | 0.621 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -58.8 | -39.4 | 176.2 | -73.8 | 173.8 | -12.9 | 0 | 0 | 112.6 | R171 R172 Y173 G179 | R171-Q175 WeakPolarHBondContact O-CG 3.32Å; R171-Q175 PolarHBondContact O-N 3.34Å; R172-Q175 PolarHBondContact O-N 3.02Å; Y173-Q175 VanDerWaalsContact C-N 3.32Å; Y173-Q175 PolarHBondContact O-N 3.35Å; Q175-G179 WeakPolarHBondContact O-CA 3.21Å; Q175-G179 PolarHBondContact O-N 3.41Å |
| 176 | Q | 92.8 | Very high | 81.6 | Confident | 114 Ų | 114 | 73 Ų | 73 | 53% | 0.533 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -71.5 | -39.7 | 178.6 | -71 | -175.2 | -8.8 | 0 | 0 | 113.2 | H103 R172 Y173 H174 | H103-Q176 PolarHBondContact NE2-OE1 3.13Å; R172-Q176 PolarHBondContact O-N 3.03Å; Y173-Q176 PolarHBondContact O-N 3.42Å; H174-Q176 VanDerWaalsContact C-N 3.3Å; H174-Q176 PolarHBondContact O-N 3.34Å |
| 177 | V | 92.1 | Very high | 81.1 | Confident | 25 Ų | 25 | 77.3 Ų | 77.3 | 15% | 0.152 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -92.9 | -22.1 | -172.6 | -63.6 | 0 | 0 | 0 | 0 | 114.5 | I139 Y173 H174 | I139-V177 HydrophobicContact CG2-CG2 4Å; Y173-V177 HydrophobicContact CD1-CG2 3.92Å; Y173-V177 HydrophobicContact CE1-CB 4.47Å; Y173-V177 HydrophobicContact CE1-CG1 3.98Å; Y173-V177 HydrophobicContact CE1-CG2 3.69Å; Y173-V177 HydrophobicContact CE2-CG1 4.02Å; Y173-V177 VanDerWaalsContact O-CG2 3.28Å; Y173-V177 WeakPolarHBondContact O-CG2 3.48Å; Y173-V177 PolarHBondContact O-N 2.92Å; H174-V177 PolarHBondContact O-N 3.2Å |
| 178 | C | 88.9 | Confident | 80.4 | Confident | 31 Ų | 31 | 80 Ų | 80 | 21% | 0.209 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -119.7 | -18.3 | -176.1 | -53 | 0 | 0 | 0 | 0 | 112.7 | C143 H174 G180 | C143-C178 VanDerWaalsContact CA-SG 3.6Å; C143-C178 HydrophobicContact CB-CB 4.21Å; C143-C178 PolarHBondContact SG-SG 2.92Å; H174-C178 WeakPolarHBondContact O-CA 3.39Å; H174-C178 VanDerWaalsContact O-CB 3.27Å; H174-C178 WeakPolarHBondContact O-CB 3.28Å; H174-C178 PolarHBondContact O-N 3.46Å; C178-G180 PolarHBondContact O-N 3.39Å |
| 179 | G | 70.9 | Confident | 79.5 | Confident | 55 Ų | 55 | 78.7 Ų | 78.7 | 57% | 0.567 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -2.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q175 G181 | Q175-G179 WeakPolarHBondContact O-CA 3.21Å; Q175-G179 PolarHBondContact O-N 3.41Å; G179-G181 VanDerWaalsContact C-N 3.27Å; G179-G181 PolarHBondContact O-N 3.19Å |
| 180 | G | 57.1 | Low | 78.6 | Confident | 75 Ų | 75 | 82.9 Ų | 82.9 | 77% | 0.773 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | 9.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | C178 S182 | C178-G180 PolarHBondContact O-N 3.39Å; G180-S182 VanDerWaalsContact C-N 3.32Å; G180-S182 PolarHBondContact O-N 3.05Å |
| 181 | G | 49.3 | Very low | 77.4 | Confident | 70 Ų | 70 | 89.2 Ų | 89.2 | 72% | 0.722 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -87.2 | 21.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116 | G179 | G179-G181 VanDerWaalsContact C-N 3.27Å; G179-G181 PolarHBondContact O-N 3.19Å |
| 182 | S | 42.1 | Very low | 75.8 | Confident | 110 Ų | 110 | 87.9 Ų | 87.9 | 77% | 0.769 | 53% | 0.532 | S | S | * | . | trans | -148.6 | 75.7 | 176.2 | -61.3 | 0 | 0 | 0 | 0 | 111.8 | G180 | G180-S182 VanDerWaalsContact C-N 3.32Å; G180-S182 PolarHBondContact O-N 3.05Å | ||
| 183 | I | 37 | Very low | 74.1 | Confident | 244 Ų | 244 | 82.5 Ų | 82.5 | 100% | 1.251 | 53% | 0.53 | S | S | * | . | trans | -145.6 | 0 | 143.9 | -52.1 | -177.1 | 0 | 0 | 0 | 107.5 |
Retrieved 183 of 183 residues in 143.9 ms
(Link to these results)