| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.4 | Very low | 58.4 | Low | 247 Ų | 247 | 85.1 Ų | 85.1 | 100% | 1.217 | 55% | 0.545 | S | S | * | . | 0 | 92.1 | 0 | -68.4 | 173.7 | 172.7 | 0 | 0 | 108.7 | G3 | M1-G3 PolarHBondContact O-N 3.45Š| |||
| 2 | S | 36.8 | Very low | 61.4 | Low | 120 Ų | 120 | 78 Ų | 78 | 84% | 0.839 | 50% | 0.5 | S | S | * | . | trans | -92.3 | 85.7 | 168.2 | 53.9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 3 | G | 38.8 | Very low | 64 | Low | 55 Ų | 55 | 77.7 Ų | 77.7 | 57% | 0.567 | 48% | 0.484 | S | S | * | . | trans | -50.8 | 144.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | M1 L5 | M1-G3 PolarHBondContact O-N 3.45Å; G3-L5 WeakPolarHBondContact O-CD1 3.22Å; G3-L5 PolarHBondContact O-N 3.07Å | ||
| 4 | G | 43.2 | Very low | 66.2 | Low | 81 Ų | 81 | 72.1 Ų | 72.1 | 84% | 0.835 | 45% | 0.449 | S | S | * | . | trans | -56.8 | 94.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A6 | G4-A6 VanDerWaalsContact C-N 3.34Å; G4-A6 PolarHBondContact O-N 3.35Å | ||
| 5 | L | 47.7 | Very low | 68 | Low | 119 Ų | 119 | 68.9 Ų | 68.9 | 62% | 0.623 | 43% | 0.43 | S | S | * | . | trans | -60.9 | 99.8 | 165 | -86.6 | 81.9 | 0 | 0 | 0 | 107.2 | G3 P7 | G3-L5 WeakPolarHBondContact O-CD1 3.22Å; G3-L5 PolarHBondContact O-N 3.07Å; L5-P7 WeakPolarHBondContact O-CD 3.42Å; L5-P7 VanDerWaalsContact O-N 3.08Å | ||
| 6 | A | 52.2 | Low | 69.7 | Low | 70 Ų | 70 | 70 Ų | 70 | 58% | 0.579 | 43% | 0.432 | S | S | * | . | trans | -58.2 | 107.8 | 156.9 | 0 | 0 | 0 | 0 | 0 | 106.3 | G4 S8 | G4-A6 VanDerWaalsContact C-N 3.34Å; G4-A6 PolarHBondContact O-N 3.35Å; A6-S8 PolarHBondContact O-N 3.26Å | ||
| 7 | P | 58.9 | Low | 71 | Confident | 66 Ų | 66 | 66.2 Ų | 66.2 | 43% | 0.429 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 27.9 | -170 | 34.8 | -34.5 | 0 | 0 | 0 | 111.6 | L5 T11 | L5-P7 WeakPolarHBondContact O-CD 3.42Å; L5-P7 VanDerWaalsContact O-N 3.08Å; P7-T11 VanDerWaalsContact C-OG1 3.26Å; P7-T11 WeakPolarHBondContact O-CB 3.38Å; P7-T11 PolarHBondContact O-OG1 3.36Å |
| 8 | S | 65.9 | Low | 72.2 | Confident | 18 Ų | 18 | 63.1 Ų | 63.1 | 13% | 0.126 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -50.6 | -177.4 | 53.5 | 0 | 0 | 0 | 0 | 112.2 | A6 S10 T11 D88 | A6-S8 PolarHBondContact O-N 3.26Å; S8-S10 PolarHBondContact O-N 2.9Å; S8-T11 PolarHBondContact O-N 2.97Å; S8-D88 WeakPolarHBondContact CB-OD1 3.44Å; S8-D88 PolarHBondContact OG-OD1 3.44Å |
| 9 | K | 79.8 | Confident | 73.2 | Confident | 124 Ų | 124 | 66.1 Ų | 66.1 | 54% | 0.539 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -28.6 | -169.8 | -62.1 | -179.1 | -176.1 | 177.4 | 0 | 114.6 | R61 | K9-R61 HydrophobicContact CB-CG 4.42Š|
| 10 | S | 90.4 | Very high | 74 | Confident | 25 Ų | 25 | 67.6 Ų | 67.6 | 18% | 0.175 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 9.1 | 179.4 | -49.9 | 0 | 0 | 0 | 0 | 113.1 | S8 F58 | S8-S10 PolarHBondContact O-N 2.9Å; S10-F58 PolarHBondContact O-N 3.38Å |
| 11 | T | 91.8 | Very high | 74.8 | Confident | 11 Ų | 11 | 64.9 Ų | 64.9 | 7% | 0.067 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 130.2 | -176.2 | -46.4 | 0 | 0 | 0 | 0 | 109.7 | P7 S8 F55 V56 L57 A86 | P7-T11 VanDerWaalsContact C-OG1 3.26Å; P7-T11 WeakPolarHBondContact O-CB 3.38Å; P7-T11 PolarHBondContact O-OG1 3.36Å; S8-T11 PolarHBondContact O-N 2.97Å; T11-F55 HydrophobicContact CG2-CB 4.24Å; T11-F55 HydrophobicContact CG2-CD1 4.43Å; T11-V56 CarbonylContact C-O 3.6Å; T11-V56 VanDerWaalsContact CA-O 3.32Å; T11-V56 WeakPolarHBondContact CA-O 3.43Å; T11-L57 VanDerWaalsContact OG1-CD1 3.31Å; T11-L57 WeakPolarHBondContact OG1-CD1 3.42Å; T11-A86 HydrophobicContact CG2-CB 4.08Å; T11-A86 WeakPolarHBondContact O-CB 3.4Å; T11-A86 PolarHBondContact O-N 3.41Å |
| 12 | V | 94.3 | Very high | 77.4 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 129.9 | 178.2 | -177.2 | 0 | 0 | 0 | 0 | 108.7 | V14 F55 V56 F58 A64 C67 A68 A83 S84 | V12-V14 HydrophobicContact CG1-CG2 3.91Å; V12-F55 WeakPolarHBondContact O-CA 3.33Å; V12-V56 PolarHBondContact N-O 3.5Å; V12-V56 PolarHBondContact O-N 3.31Å; V12-F58 HydrophobicContact CB-CE2 4.17Å; V12-F58 HydrophobicContact CG2-CD2 3.86Å; V12-F58 HydrophobicContact CG2-CE2 3.58Å; V12-A64 HydrophobicContact CG2-CB 3.69Å; V12-A64 VanDerWaalsContact CG2-O 3.3Å; V12-A64 WeakPolarHBondContact CG2-O 2.98Å; V12-C67 HydrophobicContact CG2-CB 4.35Å; V12-A68 HydrophobicContact CG1-CB 4.35Å; V12-A83 HydrophobicContact CG1-CB 4.27Å; V12-S84 WeakPolarHBondContact CA-O 3.35Å |
| 13 | Y | 94.4 | Very high | 80 | Confident | 74 Ų | 74 | 53.9 Ų | 53.9 | 29% | 0.29 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 125 | 168.1 | 172.5 | -97.5 | 0 | 0 | 0 | 108.8 | V53 F55 A83 S84 | Y13-V53 HydrophobicContact CD2-CG1 3.97Å; Y13-V53 HydrophobicContact CE2-CG1 3.25Å; Y13-F55 HydrophobicContact CD2-CD1 4.29Å; Y13-F55 AromaticContact CD2-CE1 3.64Å; Y13-F55 HydrophobicContact CD2-CE1 3.64Å; Y13-F55 AromaticContact CD2-CZ 3.83Å; Y13-F55 HydrophobicContact CD2-CZ 3.83Å; Y13-F55 HydrophobicContact CE2-CE1 4.5Å; Y13-F55 HydrophobicContact CE2-CZ 4.27Å; Y13-F55 HydrophobicContact CG-CE1 4.48Å; Y13-A83 CarbonylContact O-C 3.56Å; Y13-A83 VanDerWaalsContact O-CA 3.31Å; Y13-A83 WeakPolarHBondContact O-CA 3.39Å; Y13-S84 PolarHBondContact N-O 3.29Å; Y13-S84 PolarHBondContact O-N 3.45Å |
| 14 | V | 94.8 | Very high | 82.7 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 127.2 | 177.5 | -170.1 | 0 | 0 | 0 | 0 | 108.8 | V12 L17 F30 V53 A54 K82 A83 | V12-V14 HydrophobicContact CG1-CG2 3.91Å; V14-L17 HydrophobicContact CB-CD1 4.08Å; V14-L17 HydrophobicContact CG1-CD1 3.85Å; V14-L17 HydrophobicContact CG1-CD2 3.88Å; V14-L17 HydrophobicContact CG1-CG 3.85Å; V14-F30 HydrophobicContact CG1-CZ 4.29Å; V14-F30 HydrophobicContact CG2-CE1 4.35Å; V14-F30 HydrophobicContact CG2-CE2 4.43Å; V14-F30 HydrophobicContact CG2-CZ 3.81Å; V14-V53 WeakPolarHBondContact O-CA 3.36Å; V14-A54 PolarHBondContact N-O 3.49Å; V14-A54 PolarHBondContact O-N 3.05Å; V14-K82 CarbonylContact C-O 3.57Å; V14-K82 WeakPolarHBondContact CA-O 3.4Å; V14-A83 HydrophobicContact CG2-CB 4.46Å |
| 15 | S | 94.1 | Very high | 85 | Confident | 24 Ų | 24 | 53.6 Ų | 53.6 | 17% | 0.168 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 164.2 | -179.8 | 66.4 | 0 | 0 | 0 | 0 | 112.8 | L17 K82 | S15-L17 VanDerWaalsContact C-N 3.3Å; S15-L17 PolarHBondContact O-N 3.2Å; S15-K82 PolarHBondContact N-O 3.17Å; S15-K82 PolarHBondContact O-N 3.45Å; S15-K82 VanDerWaalsContact O-N 3.11Å |
| 16 | N | 94.1 | Very high | 87.2 | Confident | 86 Ų | 86 | 48 Ų | 48 | 46% | 0.46 | 28% | 0.275 | S | S | . | . | S | Bend | trans | 63.1 | 32.8 | -175.8 | -157 | 44.5 | 0 | 0 | 0 | 113.8 | G52 T80 | N16-G52 PolarHBondContact N-O 2.94Å; N16-G52 VanDerWaalsContact N-O 3.12Å; N16-T80 PolarHBondContact ND2-O 2.85Å |
| 17 | L | 93.2 | Very high | 89.2 | Confident | 6 Ų | 6 | 48.4 Ų | 48.4 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | trans | -74.2 | 146.2 | 174.8 | -70.4 | 166.4 | 0 | 0 | 0 | 111.2 | V14 S15 L21 L26 G52 A54 L76 V81 | V14-L17 HydrophobicContact CB-CD1 4.08Å; V14-L17 HydrophobicContact CG1-CD1 3.85Å; V14-L17 HydrophobicContact CG1-CD2 3.88Å; V14-L17 HydrophobicContact CG1-CG 3.85Å; S15-L17 VanDerWaalsContact C-N 3.3Å; S15-L17 PolarHBondContact O-N 3.2Å; L17-L21 HydrophobicContact CD2-CD1 4.01Å; L17-L26 HydrophobicContact CD1-CD1 4.22Å; L17-L26 HydrophobicContact CD1-CD2 4.05Å; L17-L26 HydrophobicContact CD2-CD2 4.09Å; L17-G52 PolarHBondContact N-O 3.48Å; L17-G52 WeakPolarHBondContact O-CA 3.22Å; L17-A54 HydrophobicContact CD1-CB 3.6Å; L17-L76 HydrophobicContact CD2-CD1 4.45Å; L17-V81 HydrophobicContact CD2-CG1 3.8Å; L17-V81 HydrophobicContact CG-CG1 4.45Å | ||
| 18 | P | 91.7 | Very high | 90.9 | Very high | 10 Ų | 10 | 52.7 Ų | 52.7 | 7% | 0.065 | 28% | 0.277 | C | S | . | . | trans | -62.9 | 141.7 | 169.7 | 29.7 | -38.1 | 0 | 0 | 0 | 111.4 | S20 L21 F77 | P18-S20 PolarHBondContact O-N 3.35Å; P18-L21 HydrophobicContact CG-CB 4.41Å; P18-L21 HydrophobicContact CG-CD1 3.42Å; P18-L21 VanDerWaalsContact CG-CD1 3.42Å; P18-L21 HydrophobicContact CG-CG 3.7Å; P18-L21 PolarHBondContact O-N 3.29Å; P18-F77 HydrophobicContact CG-CB 4.11Å; P18-F77 HydrophobicContact CG-CD2 3.95Å; P18-F77 HydrophobicContact CG-CG 4.31Å | ||
| 19 | F | 91.1 | Very high | 92.2 | Very high | 119 Ų | 119 | 54.9 Ų | 54.9 | 52% | 0.522 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -17.8 | -177.2 | -54.7 | -57.1 | 0 | 0 | 0 | 113.7 | L21 S50 | F19-L21 VanDerWaalsContact C-N 3.31Å; F19-S50 WeakPolarHBondContact CD1-O 3.29Å; F19-S50 WeakPolarHBondContact CE1-O 3.46Å |
| 20 | S | 89.7 | Confident | 92.8 | Very high | 96 Ų | 96 | 49.1 Ų | 49.1 | 67% | 0.671 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -19.9 | 175.8 | 51.1 | 0 | 0 | 0 | 0 | 113.5 | P18 T22 | P18-S20 PolarHBondContact O-N 3.35Å; S20-T22 PolarHBondContact O-N 2.93Å |
| 21 | L | 90.2 | Very high | 93 | Very high | 12 Ų | 12 | 51.3 Ų | 51.3 | 6% | 0.063 | 28% | 0.275 | C | S | . | . | trans | -71.3 | 129.7 | -177.7 | -83.2 | 172.1 | 0 | 0 | 0 | 111.9 | L17 P18 F19 D25 L26 L29 F77 | L17-L21 HydrophobicContact CD2-CD1 4.01Å; P18-L21 HydrophobicContact CG-CB 4.41Å; P18-L21 HydrophobicContact CG-CD1 3.42Å; P18-L21 VanDerWaalsContact CG-CD1 3.42Å; P18-L21 HydrophobicContact CG-CG 3.7Å; P18-L21 PolarHBondContact O-N 3.29Å; F19-L21 VanDerWaalsContact C-N 3.31Å; L21-D25 HydrophobicContact CD2-CB 3.5Å; L21-D25 VanDerWaalsContact CD2-CB 3.5Å; L21-L26 HydrophobicContact CB-CD2 4.27Å; L21-L26 HydrophobicContact CD1-CD2 3.81Å; L21-L26 HydrophobicContact CG-CD2 4.48Å; L21-L29 HydrophobicContact CD2-CD1 4.25Å; L21-F77 HydrophobicContact CD1-CD2 4.07Å; L21-F77 HydrophobicContact CD1-CE2 3.95Å; L21-F77 HydrophobicContact CD2-CD2 4.42Å; L21-F77 HydrophobicContact CD2-CE2 3.69Å; L21-F77 HydrophobicContact CD2-CZ 4.08Å; L21-F77 HydrophobicContact CG-CD2 4.38Å; L21-F77 HydrophobicContact CG-CE2 4.12Å | ||
| 22 | T | 92.6 | Very high | 93.1 | Very high | 67 Ų | 67 | 59.1 Ų | 59.1 | 41% | 0.411 | 31% | 0.308 | S | S | . | . | trans | -94 | 167.6 | 176.1 | 72.4 | 0 | 0 | 0 | 0 | 111.6 | S20 S24 D25 L26 | S20-T22 PolarHBondContact O-N 2.93Å; T22-S24 PolarHBondContact O-N 2.95Å; T22-S24 PolarHBondContact OG1-N 3.49Å; T22-D25 WeakPolarHBondContact CB-OD2 3.47Å; T22-D25 PolarHBondContact N-OD2 2.99Å; T22-D25 PolarHBondContact O-N 2.91Å; T22-D25 PolarHBondContact OG1-N 3.31Å; T22-D25 PolarHBondContact OG1-OD2 3.2Å; T22-L26 WeakPolarHBondContact O-CG 3.46Å; T22-L26 PolarHBondContact O-N 2.94Å | ||
| 23 | N | 92.3 | Very high | 93 | Very high | 68 Ų | 68 | 61.3 Ų | 61.3 | 36% | 0.364 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.2 | -34.7 | 174.7 | -70.1 | -58.6 | 0 | 0 | 0 | 111.7 | H27 I41 | N23-H27 WeakPolarHBondContact O-CB 3.45Å; N23-H27 PolarHBondContact O-N 3.32Å; N23-I41 HydrophobicContact CB-CD1 4.47Å; N23-I41 WeakPolarHBondContact OD1-CD1 2.99Å; N23-I41 VanDerWaalsContact OD1-CG1 3.27Å; N23-I41 WeakPolarHBondContact OD1-CG1 2.79Å; N23-I41 PolarHBondContact OD1-N 2.95Å |
| 24 | S | 93.8 | Very high | 92.9 | Very high | 76 Ų | 76 | 58.8 Ų | 58.8 | 53% | 0.531 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.2 | -40.8 | 179.8 | -53.4 | 0 | 0 | 0 | 0 | 111.8 | T22 H27 K28 | T22-S24 PolarHBondContact O-N 2.95Å; T22-S24 PolarHBondContact OG1-N 3.49Å; S24-H27 WeakPolarHBondContact O-CB 3.38Å; S24-H27 PolarHBondContact O-N 3.21Å; S24-K28 WeakPolarHBondContact O-CG 3.33Å; S24-K28 PolarHBondContact O-N 3.38Å; S24-K28 VanDerWaalsContact O-N 3.08Å |
| 25 | D | 93.2 | Very high | 92.8 | Very high | 54 Ų | 54 | 66.1 Ų | 66.1 | 29% | 0.289 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -69 | -45.1 | 179.9 | -54 | -41.6 | 0 | 0 | 0 | 111.1 | L21 T22 H27 K28 L29 | L21-D25 HydrophobicContact CD2-CB 3.5Å; L21-D25 VanDerWaalsContact CD2-CB 3.5Å; T22-D25 WeakPolarHBondContact CB-OD2 3.47Å; T22-D25 PolarHBondContact N-OD2 2.99Å; T22-D25 PolarHBondContact O-N 2.91Å; T22-D25 PolarHBondContact OG1-N 3.31Å; T22-D25 PolarHBondContact OG1-OD2 3.2Å; D25-H27 VanDerWaalsContact C-N 3.27Å; D25-H27 PolarHBondContact O-N 3.49Å; D25-K28 PolarHBondContact O-N 3.5Å; D25-L29 WeakPolarHBondContact O-CB 3.45Å; D25-L29 VanDerWaalsContact O-CG 3.29Å; D25-L29 WeakPolarHBondContact O-CG 3.45Å; D25-L29 PolarHBondContact O-N 3.41Å |
| 26 | L | 93.4 | Very high | 92.8 | Very high | 1 Ų | 1 | 65.9 Ų | 65.9 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.7 | -41.7 | 174.8 | -64.7 | -179.2 | 0 | 0 | 0 | 110.9 | L17 L21 T22 K28 L29 F30 V39 I41 A54 | L17-L26 HydrophobicContact CD1-CD1 4.22Å; L17-L26 HydrophobicContact CD1-CD2 4.05Å; L17-L26 HydrophobicContact CD2-CD2 4.09Å; L21-L26 HydrophobicContact CB-CD2 4.27Å; L21-L26 HydrophobicContact CD1-CD2 3.81Å; L21-L26 HydrophobicContact CG-CD2 4.48Å; T22-L26 WeakPolarHBondContact O-CG 3.46Å; T22-L26 PolarHBondContact O-N 2.94Å; L26-K28 PolarHBondContact O-N 2.86Å; L26-L29 PolarHBondContact O-N 2.87Å; L26-F30 HydrophobicContact CB-CD2 4.1Å; L26-F30 HydrophobicContact CB-CE2 4.06Å; L26-F30 HydrophobicContact CD2-CE2 3.91Å; L26-F30 HydrophobicContact CG-CE2 4.48Å; L26-F30 WeakPolarHBondContact O-CB 3.46Å; L26-F30 WeakPolarHBondContact O-CD2 3.37Å; L26-F30 PolarHBondContact O-N 3.34Å; L26-V39 HydrophobicContact CB-CG1 3.91Å; L26-V39 HydrophobicContact CD1-CG1 3.95Å; L26-I41 HydrophobicContact CD1-CD1 3.76Å; L26-I41 HydrophobicContact CD1-CG1 3.61Å; L26-A54 HydrophobicContact CD1-CB 3.65Å |
| 27 | H | 94.6 | Very high | 92.7 | Very high | 80 Ų | 80 | 65.7 Ų | 65.7 | 37% | 0.37 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -56.7 | -51.8 | 175.7 | -169.3 | -82.2 | 0 | 0 | 0 | 111 | N23 S24 D25 L29 F30 T31 V39 | N23-H27 WeakPolarHBondContact O-CB 3.45Å; N23-H27 PolarHBondContact O-N 3.32Å; S24-H27 WeakPolarHBondContact O-CB 3.38Å; S24-H27 PolarHBondContact O-N 3.21Å; D25-H27 VanDerWaalsContact C-N 3.27Å; D25-H27 PolarHBondContact O-N 3.49Å; H27-L29 PolarHBondContact O-N 3.33Å; H27-F30 PolarHBondContact O-N 3.04Å; H27-T31 PolarHBondContact O-N 3.46Å; H27-T31 PolarHBondContact O-OG1 2.86Å; H27-V39 HydrophobicContact CB-CG2 4.21Å |
| 28 | K | 94.1 | Very high | 92.5 | Very high | 155 Ų | 155 | 71.4 Ų | 71.4 | 67% | 0.674 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -59.1 | -44.9 | 178.3 | -68.3 | 173.6 | -176.1 | 177.9 | 0 | 112.7 | S24 D25 L26 F30 | S24-K28 WeakPolarHBondContact O-CG 3.33Å; S24-K28 PolarHBondContact O-N 3.38Å; S24-K28 VanDerWaalsContact O-N 3.08Å; D25-K28 PolarHBondContact O-N 3.5Å; L26-K28 PolarHBondContact O-N 2.86Å; K28-F30 VanDerWaalsContact C-N 3.35Å; K28-F30 PolarHBondContact O-N 3.46Å |
| 29 | L | 92.7 | Very high | 92.6 | Very high | 65 Ų | 65 | 72 Ų | 72 | 34% | 0.34 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.7 | -39.2 | -179.5 | -71.6 | 170.3 | 0 | 0 | 0 | 112.5 | L21 D25 L26 H27 F77 | L21-L29 HydrophobicContact CD2-CD1 4.25Å; D25-L29 WeakPolarHBondContact O-CB 3.45Å; D25-L29 VanDerWaalsContact O-CG 3.29Å; D25-L29 WeakPolarHBondContact O-CG 3.45Å; D25-L29 PolarHBondContact O-N 3.41Å; L26-L29 PolarHBondContact O-N 2.87Å; H27-L29 PolarHBondContact O-N 3.33Å; L29-F77 HydrophobicContact CD1-CE2 4.35Å |
| 30 | F | 92.8 | Very high | 92.7 | Very high | 3 Ų | 3 | 69.3 Ų | 69.3 | 1% | 0.013 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -87.6 | -18.6 | -175.7 | -67.8 | -59 | 0 | 0 | 0 | 114.1 | V14 L26 H27 K28 K32 Y33 V36 V56 F58 C67 V71 | V14-F30 HydrophobicContact CG1-CZ 4.29Å; V14-F30 HydrophobicContact CG2-CE1 4.35Å; V14-F30 HydrophobicContact CG2-CE2 4.43Å; V14-F30 HydrophobicContact CG2-CZ 3.81Å; L26-F30 HydrophobicContact CB-CD2 4.1Å; L26-F30 HydrophobicContact CB-CE2 4.06Å; L26-F30 HydrophobicContact CD2-CE2 3.91Å; L26-F30 HydrophobicContact CG-CE2 4.48Å; L26-F30 WeakPolarHBondContact O-CB 3.46Å; L26-F30 WeakPolarHBondContact O-CD2 3.37Å; L26-F30 PolarHBondContact O-N 3.34Å; H27-F30 PolarHBondContact O-N 3.04Å; K28-F30 VanDerWaalsContact C-N 3.35Å; K28-F30 PolarHBondContact O-N 3.46Å; F30-K32 PolarHBondContact O-N 2.94Å; F30-K32 VanDerWaalsContact O-N 3.13Å; F30-Y33 HydrophobicContact CD1-CD2 4.18Å; F30-Y33 HydrophobicContact CD1-CE2 4.35Å; F30-Y33 PolarHBondContact O-N 3.47Å; F30-V36 HydrophobicContact CB-CG2 3.95Å; F30-V56 HydrophobicContact CB-CG1 4.26Å; F30-V56 HydrophobicContact CD2-CG1 4.29Å; F30-V56 HydrophobicContact CD2-CG2 3.64Å; F30-V56 HydrophobicContact CE2-CG2 3.75Å; F30-V56 HydrophobicContact CG-CG1 4.37Å; F30-V56 HydrophobicContact CG-CG2 4.36Å; F30-F58 HydrophobicContact CB-CE1 4.44Å; F30-F58 HydrophobicContact CB-CZ 4.01Å; F30-C67 WeakPolarHBondContact CD1-SG 3.26Å; F30-V71 HydrophobicContact CE1-CG1 4.2Å; F30-V71 HydrophobicContact CE1-CG2 4.02Å |
| 31 | T | 94.3 | Very high | 92.9 | Very high | 71 Ų | 71 | 65.8 Ų | 65.8 | 44% | 0.436 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -54.4 | -30.4 | 172.9 | -62.1 | 0 | 0 | 0 | 0 | 112.6 | H27 Y33 G34 | H27-T31 PolarHBondContact O-N 3.46Å; H27-T31 PolarHBondContact O-OG1 2.86Å; T31-Y33 PolarHBondContact O-N 3.5Å; T31-G34 WeakPolarHBondContact CA-O 3.17Å; T31-G34 PolarHBondContact O-N 2.99Å |
| 32 | K | 93.6 | Very high | 92.9 | Very high | 175 Ų | 175 | 67.3 Ų | 67.3 | 76% | 0.761 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -31.1 | 176.1 | 173.8 | 172.3 | 177.9 | 170.1 | 0 | 113.6 | F30 | F30-K32 PolarHBondContact O-N 2.94Å; F30-K32 VanDerWaalsContact O-N 3.13Å |
| 33 | Y | 92.4 | Very high | 93 | Very high | 45 Ų | 45 | 69.6 Ų | 69.6 | 18% | 0.176 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -14.9 | -175.8 | -54.9 | -73.7 | 0 | 0 | 0 | 112.8 | F30 T31 C67 A70 V71 K74 | F30-Y33 HydrophobicContact CD1-CD2 4.18Å; F30-Y33 HydrophobicContact CD1-CE2 4.35Å; F30-Y33 PolarHBondContact O-N 3.47Å; T31-Y33 PolarHBondContact O-N 3.5Å; Y33-C67 HydrophobicContact CD2-CB 4.28Å; Y33-C67 HydrophobicContact CG-CB 4.05Å; Y33-A70 HydrophobicContact CD1-CB 4.02Å; Y33-A70 HydrophobicContact CE1-CB 3.45Å; Y33-A70 VanDerWaalsContact CE1-CB 3.45Å; Y33-V71 HydrophobicContact CD2-CG2 4.32Å; Y33-V71 HydrophobicContact CE2-CG2 3.57Å; Y33-K74 PolarHBondContact OH-NZ 3.39Å |
| 34 | G | 92.6 | Very high | 93 | Very high | 22 Ų | 22 | 68.3 Ų | 68.3 | 23% | 0.227 | 35% | 0.346 | C | S | . | . | S | Bend | trans | 159.8 | -179.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | T31 V36 | T31-G34 WeakPolarHBondContact CA-O 3.17Å; T31-G34 PolarHBondContact O-N 2.99Å; G34-V36 PolarHBondContact O-N 3.5Å |
| 35 | K | 93.1 | Very high | 92.9 | Very high | 153 Ų | 153 | 73.6 Ų | 73.6 | 67% | 0.665 | 36% | 0.359 | S | S | * | . | trans | -71.1 | 114.5 | 180 | -67.9 | 177.8 | -177.8 | 172.8 | 0 | 110.7 | L59 | K35-L59 HydrophobicContact CB-CB 4.23Å; K35-L59 HydrophobicContact CD-CD2 4.27Å; K35-L59 PolarHBondContact O-N 3.33Å | ||
| 36 | V | 93.4 | Very high | 92.9 | Very high | 20 Ų | 20 | 80 Ų | 80 | 12% | 0.121 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 129.8 | 176.3 | -178.7 | 0 | 0 | 0 | 0 | 109.4 | F30 G34 V39 V56 F58 | F30-V36 HydrophobicContact CB-CG2 3.95Å; G34-V36 PolarHBondContact O-N 3.5Å; V36-V39 HydrophobicContact CG1-CG2 3.67Å; V36-V56 HydrophobicContact CG1-CG1 3.86Å; V36-V56 HydrophobicContact CG2-CG1 4.22Å; V36-F58 HydrophobicContact CG2-CD1 4.13Å; V36-F58 HydrophobicContact CG2-CE1 3.71Å; V36-F58 HydrophobicContact CG2-CZ 4.32Å |
| 37 | V | 91.9 | Very high | 92.9 | Very high | 81 Ų | 81 | 83.9 Ų | 83.9 | 49% | 0.491 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | -43.7 | 177.5 | 177.5 | 0 | 0 | 0 | 0 | 110.5 | L57 L59 | V37-L57 HydrophobicContact CB-CD2 4.06Å; V37-L57 HydrophobicContact CB-CG 4.1Å; V37-L57 HydrophobicContact CG1-CD2 3.93Å; V37-L57 PolarHBondContact N-O 2.83Å; V37-L59 HydrophobicContact CG2-CB 3.94Å; V37-L59 HydrophobicContact CG2-CD1 4.1Å |
| 38 | K | 90.1 | Very high | 92.6 | Very high | 127 Ų | 127 | 89.7 Ų | 89.7 | 55% | 0.552 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 137.1 | -177.2 | -174.3 | 172.1 | 179.7 | 173 | 0 | 111.5 | L57 | K38-L57 HydrophobicContact CB-CB 4.21Å; K38-L57 HydrophobicContact CB-CD2 4.37Å; K38-L57 PolarHBondContact N-O 3Å; K38-L57 PolarHBondContact O-N 3.05Å |
| 39 | V | 93.2 | Very high | 92.4 | Very high | 22 Ų | 22 | 88.7 Ų | 88.7 | 13% | 0.133 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 135.8 | 169.5 | -176.6 | 0 | 0 | 0 | 0 | 108.7 | L26 H27 V36 V56 | L26-V39 HydrophobicContact CB-CG1 3.91Å; L26-V39 HydrophobicContact CD1-CG1 3.95Å; H27-V39 HydrophobicContact CB-CG2 4.21Å; V36-V39 HydrophobicContact CG1-CG2 3.67Å; V39-V56 HydrophobicContact CG1-CG2 4.48Å; V39-V56 HydrophobicContact CG2-CG1 4.38Å |
| 40 | T | 92.1 | Very high | 92.4 | Very high | 62 Ų | 62 | 86.7 Ų | 86.7 | 38% | 0.38 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 108.3 | 176.4 | -55.7 | 0 | 0 | 0 | 0 | 109.9 | A54 F55 | T40-A54 WeakPolarHBondContact O-CA 3.21Å; T40-F55 PolarHBondContact N-O 3.29Å; T40-F55 PolarHBondContact O-N 3.06Å |
| 41 | I | 93.8 | Very high | 92.4 | Very high | 22 Ų | 22 | 92 Ų | 92 | 11% | 0.113 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 130.4 | 171.1 | -64.5 | 166.4 | 0 | 0 | 0 | 109.5 | N23 L26 K43 A54 | N23-I41 HydrophobicContact CB-CD1 4.47Å; N23-I41 WeakPolarHBondContact OD1-CD1 2.99Å; N23-I41 VanDerWaalsContact OD1-CG1 3.27Å; N23-I41 WeakPolarHBondContact OD1-CG1 2.79Å; N23-I41 PolarHBondContact OD1-N 2.95Å; L26-I41 HydrophobicContact CD1-CD1 3.76Å; L26-I41 HydrophobicContact CD1-CG1 3.61Å; I41-K43 HydrophobicContact CG2-CG 4.33Å; I41-K43 PolarHBondContact O-N 3.21Å; I41-A54 HydrophobicContact CG1-CB 4.17Å |
| 42 | V | 92.1 | Very high | 92.3 | Very high | 44 Ų | 44 | 88.8 Ų | 88.8 | 27% | 0.267 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 117.9 | 173.7 | -175.7 | 0 | 0 | 0 | 0 | 108.4 | K51 V53 F55 | V42-K51 HydrophobicContact CG1-CB 4.49Å; V42-K51 HydrophobicContact CG1-CD 4.11Å; V42-K51 HydrophobicContact CG1-CG 4.4Å; V42-K51 PolarHBondContact O-N 2.9Å; V42-V53 HydrophobicContact CB-CB 4.28Å; V42-V53 HydrophobicContact CG2-CB 4.3Å; V42-V53 HydrophobicContact CG2-CG1 3.99Å; V42-V53 PolarHBondContact N-O 2.97Å; V42-F55 HydrophobicContact CG2-CD2 3.79Å; V42-F55 HydrophobicContact CG2-CE2 3.5Å |
| 43 | K | 93.1 | Very high | 92.3 | Very high | 115 Ų | 115 | 81.7 Ų | 81.7 | 50% | 0.5 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 149.7 | 174.9 | -62.4 | -175.9 | 177.2 | -169.5 | 0 | 110.2 | I41 Q49 | I41-K43 HydrophobicContact CG2-CG 4.33Å; I41-K43 PolarHBondContact O-N 3.21Å; K43-Q49 CarbonylContact C-O 3.59Å; K43-Q49 VanDerWaalsContact CA-O 3.3Å; K43-Q49 WeakPolarHBondContact CA-O 3.41Å |
| 44 | D | 93.4 | Very high | 92.4 | Very high | 42 Ų | 42 | 79.5 Ų | 79.5 | 23% | 0.225 | 38% | 0.384 | C | S | . | . | trans | -72.4 | 145.9 | 171.3 | -168.1 | 38.7 | 0 | 0 | 0 | 111.5 | T47 R48 Q49 K51 | D44-T47 WeakPolarHBondContact CB-OG1 3.35Å; D44-T47 PolarHBondContact OD2-OG1 3.26Å; D44-R48 WeakPolarHBondContact O-CA 3.33Å; D44-R48 PolarHBondContact O-N 3.35Å; D44-R48 VanDerWaalsContact O-N 3.11Å; D44-Q49 PolarHBondContact N-O 3.05Å; D44-K51 VanDerWaalsContact CA-CE 3.46Å; D44-K51 VanDerWaalsContact CB-CE 3.45Å; D44-K51 HydrophobicContact CB-CG 4.38Å; D44-K51 VanDerWaalsContact OD1-CE 3.25Å; D44-K51 WeakPolarHBondContact OD1-CE 3.39Å; D44-K51 IonicContact OD1-NZ 3.77Å; D44-K51 PolarHBondContact OD1-NZ 3.39Å; D44-K51 VanDerWaalsContact OD1-NZ 3.09Å | ||
| 45 | K | 92.1 | Very high | 92.5 | Very high | 186 Ų | 186 | 81.9 Ų | 81.9 | 81% | 0.809 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -33.6 | -172 | -64.7 | -174.4 | 178.6 | -165.5 | 0 | 112.4 | ||
| 46 | F | 92.9 | Very high | 92.5 | Very high | 189 Ų | 189 | 74.6 Ų | 74.6 | 83% | 0.829 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -56.1 | -176.9 | -57.1 | -75.6 | 0 | 0 | 0 | 110.8 | R48 | F46-R48 VanDerWaalsContact C-N 3.34Å; F46-R48 PolarHBondContact O-N 2.98Å |
| 47 | T | 92.3 | Very high | 92.5 | Very high | 82 Ų | 82 | 75.1 Ų | 75.1 | 50% | 0.503 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -14.4 | -176 | 60.8 | 0 | 0 | 0 | 0 | 113.6 | D44 Q49 | D44-T47 WeakPolarHBondContact CB-OG1 3.35Å; D44-T47 PolarHBondContact OD2-OG1 3.26Å; T47-Q49 PolarHBondContact O-N 3.37Å; T47-Q49 PolarHBondContact OG1-N 3.35Å |
| 48 | R | 89.2 | Confident | 92.6 | Very high | 202 Ų | 202 | 71.3 Ų | 71.3 | 76% | 0.762 | 34% | 0.335 | S | S | * | . | trans | 55 | 9.3 | -171.1 | -60.9 | -169.3 | 179.6 | -164.7 | 2.8 | 114.8 | D44 F46 | D44-R48 WeakPolarHBondContact O-CA 3.33Å; D44-R48 PolarHBondContact O-N 3.35Å; D44-R48 VanDerWaalsContact O-N 3.11Å; F46-R48 VanDerWaalsContact C-N 3.34Å; F46-R48 PolarHBondContact O-N 2.98Å | ||
| 49 | Q | 90.3 | Very high | 92.6 | Very high | 134 Ų | 134 | 70.1 Ų | 70.1 | 63% | 0.626 | 34% | 0.335 | S | S | * | . | trans | -78.2 | 150.1 | 177.4 | -65.8 | -174.1 | 5.7 | 0 | 0 | 110.5 | K43 D44 T47 | K43-Q49 CarbonylContact C-O 3.59Å; K43-Q49 VanDerWaalsContact CA-O 3.3Å; K43-Q49 WeakPolarHBondContact CA-O 3.41Å; D44-Q49 PolarHBondContact N-O 3.05Å; T47-Q49 PolarHBondContact O-N 3.37Å; T47-Q49 PolarHBondContact OG1-N 3.35Å | ||
| 50 | S | 92.6 | Very high | 92.5 | Very high | 23 Ų | 23 | 73.2 Ų | 73.2 | 16% | 0.161 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 135.1 | 175.5 | -60.4 | 0 | 0 | 0 | 0 | 109.8 | F19 G52 | F19-S50 WeakPolarHBondContact CD1-O 3.29Å; F19-S50 WeakPolarHBondContact CE1-O 3.46Å; S50-G52 PolarHBondContact O-N 3.45Å |
| 51 | K | 92 | Very high | 92.4 | Very high | 114 Ų | 114 | 76.6 Ų | 76.6 | 50% | 0.496 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 6.8 | 173.7 | -64 | -164.5 | 177.9 | -169.1 | 0 | 113.3 | V42 D44 V53 | V42-K51 HydrophobicContact CG1-CB 4.49Å; V42-K51 HydrophobicContact CG1-CD 4.11Å; V42-K51 HydrophobicContact CG1-CG 4.4Å; V42-K51 PolarHBondContact O-N 2.9Å; D44-K51 VanDerWaalsContact CA-CE 3.46Å; D44-K51 VanDerWaalsContact CB-CE 3.45Å; D44-K51 HydrophobicContact CB-CG 4.38Å; D44-K51 VanDerWaalsContact OD1-CE 3.25Å; D44-K51 WeakPolarHBondContact OD1-CE 3.39Å; D44-K51 IonicContact OD1-NZ 3.77Å; D44-K51 PolarHBondContact OD1-NZ 3.39Å; D44-K51 VanDerWaalsContact OD1-NZ 3.09Å; K51-V53 PolarHBondContact O-N 3.4Å |
| 52 | G | 92.5 | Very high | 92.4 | Very high | 5 Ų | 5 | 83.3 Ų | 83.3 | 5% | 0.052 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 68 | 23.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113 | N16 L17 S50 | N16-G52 PolarHBondContact N-O 2.94Å; N16-G52 VanDerWaalsContact N-O 3.12Å; L17-G52 PolarHBondContact N-O 3.48Å; L17-G52 WeakPolarHBondContact O-CA 3.22Å; S50-G52 PolarHBondContact O-N 3.45Å |
| 53 | V | 93.9 | Very high | 92.4 | Very high | 25 Ų | 25 | 81.7 Ų | 81.7 | 15% | 0.152 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 135.3 | -178.4 | 176.8 | 0 | 0 | 0 | 0 | 109.3 | Y13 V14 V42 K51 | Y13-V53 HydrophobicContact CD2-CG1 3.97Å; Y13-V53 HydrophobicContact CE2-CG1 3.25Å; V14-V53 WeakPolarHBondContact O-CA 3.36Å; V42-V53 HydrophobicContact CB-CB 4.28Å; V42-V53 HydrophobicContact CG2-CB 4.3Å; V42-V53 HydrophobicContact CG2-CG1 3.99Å; V42-V53 PolarHBondContact N-O 2.97Å; K51-V53 PolarHBondContact O-N 3.4Å |
| 54 | A | 94.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 149 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | V14 L17 L26 T40 I41 | V14-A54 PolarHBondContact N-O 3.49Å; V14-A54 PolarHBondContact O-N 3.05Å; L17-A54 HydrophobicContact CD1-CB 3.6Å; L26-A54 HydrophobicContact CD1-CB 3.65Å; T40-A54 WeakPolarHBondContact O-CA 3.21Å; I41-A54 HydrophobicContact CG1-CB 4.17Å |
| 55 | F | 93.8 | Very high | 92.4 | Very high | 71 Ų | 71 | 77 Ų | 77 | 31% | 0.311 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 126.8 | 169.5 | -66.3 | -83.3 | 0 | 0 | 0 | 109.1 | T11 V12 Y13 T40 V42 A86 | T11-F55 HydrophobicContact CG2-CB 4.24Å; T11-F55 HydrophobicContact CG2-CD1 4.43Å; V12-F55 WeakPolarHBondContact O-CA 3.33Å; Y13-F55 HydrophobicContact CD2-CD1 4.29Å; Y13-F55 AromaticContact CD2-CE1 3.64Å; Y13-F55 HydrophobicContact CD2-CE1 3.64Å; Y13-F55 AromaticContact CD2-CZ 3.83Å; Y13-F55 HydrophobicContact CD2-CZ 3.83Å; Y13-F55 HydrophobicContact CE2-CE1 4.5Å; Y13-F55 HydrophobicContact CE2-CZ 4.27Å; Y13-F55 HydrophobicContact CG-CE1 4.48Å; T40-F55 PolarHBondContact N-O 3.29Å; T40-F55 PolarHBondContact O-N 3.06Å; V42-F55 HydrophobicContact CG2-CD2 3.79Å; V42-F55 HydrophobicContact CG2-CE2 3.5Å; F55-A86 HydrophobicContact CD1-CB 4.11Å; F55-A86 HydrophobicContact CE1-CB 4.19Å |
| 56 | V | 94 | Very high | 92.5 | Very high | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 114 | 179.8 | -174.5 | 0 | 0 | 0 | 0 | 108.4 | T11 V12 F30 V36 V39 F58 | T11-V56 CarbonylContact C-O 3.6Å; T11-V56 VanDerWaalsContact CA-O 3.32Å; T11-V56 WeakPolarHBondContact CA-O 3.43Å; V12-V56 PolarHBondContact N-O 3.5Å; V12-V56 PolarHBondContact O-N 3.31Å; F30-V56 HydrophobicContact CB-CG1 4.26Å; F30-V56 HydrophobicContact CD2-CG1 4.29Å; F30-V56 HydrophobicContact CD2-CG2 3.64Å; F30-V56 HydrophobicContact CE2-CG2 3.75Å; F30-V56 HydrophobicContact CG-CG1 4.37Å; F30-V56 HydrophobicContact CG-CG2 4.36Å; V36-V56 HydrophobicContact CG1-CG1 3.86Å; V36-V56 HydrophobicContact CG2-CG1 4.22Å; V39-V56 HydrophobicContact CG1-CG2 4.48Å; V39-V56 HydrophobicContact CG2-CG1 4.38Å; V56-F58 HydrophobicContact CB-CE2 4.07Å; V56-F58 HydrophobicContact CG1-CD2 4.14Å; V56-F58 HydrophobicContact CG1-CE1 4.49Å; V56-F58 HydrophobicContact CG1-CE2 3.56Å; V56-F58 HydrophobicContact CG1-CZ 3.78Å |
| 57 | L | 92.5 | Very high | 92.6 | Very high | 32 Ų | 32 | 63 Ų | 63 | 17% | 0.168 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 119.7 | 175 | 178.9 | 67.1 | 0 | 0 | 0 | 109 | T11 V37 K38 | T11-L57 VanDerWaalsContact OG1-CD1 3.31Å; T11-L57 WeakPolarHBondContact OG1-CD1 3.42Å; V37-L57 HydrophobicContact CB-CD2 4.06Å; V37-L57 HydrophobicContact CB-CG 4.1Å; V37-L57 HydrophobicContact CG1-CD2 3.93Å; V37-L57 PolarHBondContact N-O 2.83Å; K38-L57 HydrophobicContact CB-CB 4.21Å; K38-L57 HydrophobicContact CB-CD2 4.37Å; K38-L57 PolarHBondContact N-O 3Å; K38-L57 PolarHBondContact O-N 3.05Å |
| 58 | F | 93.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 158.6 | 171.1 | -69.3 | -88.3 | 0 | 0 | 0 | 111.1 | S10 V12 F30 V36 V56 A63 A64 C67 | S10-F58 PolarHBondContact O-N 3.38Å; V12-F58 HydrophobicContact CB-CE2 4.17Å; V12-F58 HydrophobicContact CG2-CD2 3.86Å; V12-F58 HydrophobicContact CG2-CE2 3.58Å; F30-F58 HydrophobicContact CB-CE1 4.44Å; F30-F58 HydrophobicContact CB-CZ 4.01Å; V36-F58 HydrophobicContact CG2-CD1 4.13Å; V36-F58 HydrophobicContact CG2-CE1 3.71Å; V36-F58 HydrophobicContact CG2-CZ 4.32Å; V56-F58 HydrophobicContact CB-CE2 4.07Å; V56-F58 HydrophobicContact CG1-CD2 4.14Å; V56-F58 HydrophobicContact CG1-CE1 4.49Å; V56-F58 HydrophobicContact CG1-CE2 3.56Å; V56-F58 HydrophobicContact CG1-CZ 3.78Å; F58-A63 HydrophobicContact CB-CB 4.37Å; F58-A63 HydrophobicContact CD1-CB 4.1Å; F58-A63 HydrophobicContact CG-CB 4.37Å; F58-A64 HydrophobicContact CB-CB 4.31Å; F58-A64 HydrophobicContact CD2-CB 3.87Å; F58-A64 HydrophobicContact CG-CB 4.37Å; F58-C67 HydrophobicContact CE2-CB 3.97Å; F58-C67 HydrophobicContact CZ-CB 3.77Å |
| 59 | L | 90.8 | Very high | 93 | Very high | 103 Ų | 103 | 58.9 Ų | 58.9 | 54% | 0.539 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -67.6 | -48.1 | 171.2 | -171.7 | 68.3 | 0 | 0 | 0 | 110.2 | K35 V37 | K35-L59 HydrophobicContact CB-CB 4.23Å; K35-L59 HydrophobicContact CD-CD2 4.27Å; K35-L59 PolarHBondContact O-N 3.33Å; V37-L59 HydrophobicContact CG2-CB 3.94Å; V37-L59 HydrophobicContact CG2-CD1 4.1Å |
| 60 | D | 91 | Very high | 93.1 | Very high | 87 Ų | 87 | 53.7 Ų | 53.7 | 47% | 0.465 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -102.2 | 141.2 | -176 | -56.9 | -49.1 | 0 | 0 | 0 | 111.8 | E62 A63 A64 | D60-E62 VanDerWaalsContact C-N 3.32Å; D60-E62 PolarHBondContact O-N 3Å; D60-A63 HydrophobicContact CB-CB 4.18Å; D60-A64 PolarHBondContact O-N 3.09Å |
| 61 | R | 91.1 | Very high | 93.2 | Very high | 132 Ų | 132 | 52.8 Ų | 52.8 | 50% | 0.498 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -64.5 | -38.8 | 175.3 | 176.7 | 176.4 | -179.2 | -158.7 | -1.3 | 111.7 | K9 A64 H65 | K9-R61 HydrophobicContact CB-CG 4.42Å; R61-A64 WeakPolarHBondContact O-CB 3.43Å; R61-A64 PolarHBondContact O-N 3.19Å; R61-H65 PolarHBondContact NE-NE2 3.3Å; R61-H65 PolarHBondContact O-CD2 2.75Å; R61-H65 PolarHBondContact O-N 3.43Å; R61-H65 VanDerWaalsContact O-N 3.07Å |
| 62 | E | 92.5 | Very high | 93.3 | Very high | 163 Ų | 163 | 50.6 Ų | 50.6 | 76% | 0.762 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -65.2 | -40.9 | -178.2 | -63.6 | -178.8 | -179.2 | 0 | 0 | 111.7 | D60 A64 H65 N66 | D60-E62 VanDerWaalsContact C-N 3.32Å; D60-E62 PolarHBondContact O-N 3Å; E62-A64 VanDerWaalsContact C-N 3.3Å; E62-A64 PolarHBondContact O-N 3.27Å; E62-H65 PolarHBondContact O-N 2.82Å; E62-N66 WeakPolarHBondContact O-CB 3.46Å; E62-N66 PolarHBondContact O-N 3.37Å |
| 63 | A | 92.8 | Very high | 93.3 | Very high | 11 Ų | 11 | 55.2 Ų | 55.2 | 9% | 0.091 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.2 | -42.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F58 D60 N66 C67 | F58-A63 HydrophobicContact CB-CB 4.37Å; F58-A63 HydrophobicContact CD1-CB 4.1Å; F58-A63 HydrophobicContact CG-CB 4.37Å; D60-A63 HydrophobicContact CB-CB 4.18Å; A63-N66 PolarHBondContact O-N 2.83Å; A63-C67 VanDerWaalsContact O-CB 3.26Å; A63-C67 WeakPolarHBondContact O-CB 3.42Å; A63-C67 PolarHBondContact O-N 3.32Å |
| 64 | A | 93.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.008 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.1 | -45.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V12 F58 D60 R61 E62 C67 A68 | V12-A64 HydrophobicContact CG2-CB 3.69Å; V12-A64 VanDerWaalsContact CG2-O 3.3Å; V12-A64 WeakPolarHBondContact CG2-O 2.98Å; F58-A64 HydrophobicContact CB-CB 4.31Å; F58-A64 HydrophobicContact CD2-CB 3.87Å; F58-A64 HydrophobicContact CG-CB 4.37Å; D60-A64 PolarHBondContact O-N 3.09Å; R61-A64 WeakPolarHBondContact O-CB 3.43Å; R61-A64 PolarHBondContact O-N 3.19Å; E62-A64 VanDerWaalsContact C-N 3.3Å; E62-A64 PolarHBondContact O-N 3.27Å; A64-C67 PolarHBondContact O-N 2.76Å; A64-A68 WeakPolarHBondContact O-CB 3.45Å; A64-A68 PolarHBondContact O-N 3.22Å |
| 65 | H | 93.8 | Very high | 93.1 | Very high | 57 Ų | 57 | 65.4 Ų | 65.4 | 26% | 0.264 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.2 | -37.9 | 176.4 | -86.5 | -93.5 | 0 | 0 | 0 | 112.9 | R61 E62 R69 I85 | R61-H65 PolarHBondContact NE-NE2 3.3Å; R61-H65 PolarHBondContact O-CD2 2.75Å; R61-H65 PolarHBondContact O-N 3.43Å; R61-H65 VanDerWaalsContact O-N 3.07Å; E62-H65 PolarHBondContact O-N 2.82Å; H65-R69 WeakPolarHBondContact O-CG 3.42Å; H65-R69 PolarHBondContact O-N 3.01Å; H65-R69 VanDerWaalsContact O-N 3.12Å; H65-R69 PolarHBondContact O-NE 2.81Å; H65-I85 WeakPolarHBondContact CE1-CD1 3.49Å; H65-I85 WeakPolarHBondContact ND1-CD1 3.29Å |
| 66 | N | 94.6 | Very high | 92.8 | Very high | 80 Ų | 80 | 63.9 Ų | 63.9 | 43% | 0.428 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67 | -47.6 | 176.1 | -168.9 | 13.9 | 0 | 0 | 0 | 110.7 | E62 A63 A68 R69 A70 | E62-N66 WeakPolarHBondContact O-CB 3.46Å; E62-N66 PolarHBondContact O-N 3.37Å; A63-N66 PolarHBondContact O-N 2.83Å; N66-A68 PolarHBondContact O-N 3.25Å; N66-R69 PolarHBondContact O-N 3.13Å; N66-A70 WeakPolarHBondContact O-CB 3.43Å; N66-A70 PolarHBondContact O-N 3.46Å |
| 67 | C | 94.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -56.3 | -47.7 | 174.6 | -179.1 | 0 | 0 | 0 | 0 | 111.6 | V12 F30 Y33 F58 A63 A64 R69 A70 V71 | V12-C67 HydrophobicContact CG2-CB 4.35Å; F30-C67 WeakPolarHBondContact CD1-SG 3.26Å; Y33-C67 HydrophobicContact CD2-CB 4.28Å; Y33-C67 HydrophobicContact CG-CB 4.05Å; F58-C67 HydrophobicContact CE2-CB 3.97Å; F58-C67 HydrophobicContact CZ-CB 3.77Å; A63-C67 VanDerWaalsContact O-CB 3.26Å; A63-C67 WeakPolarHBondContact O-CB 3.42Å; A63-C67 PolarHBondContact O-N 3.32Å; A64-C67 PolarHBondContact O-N 2.76Å; C67-R69 PolarHBondContact O-N 2.99Å; C67-A70 PolarHBondContact O-N 3.33Å; C67-V71 VanDerWaalsContact O-CB 3.24Å; C67-V71 WeakPolarHBondContact O-CB 3.24Å; C67-V71 VanDerWaalsContact O-CG2 3.24Å; C67-V71 WeakPolarHBondContact O-CG2 3.24Å; C67-V71 PolarHBondContact O-N 3.43Å |
| 68 | A | 94.5 | Very high | 92.2 | Very high | 10 Ų | 10 | 72.5 Ų | 72.5 | 8% | 0.083 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59.2 | -49.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | V12 A64 N66 A70 N72 | V12-A68 HydrophobicContact CG1-CB 4.35Å; A64-A68 WeakPolarHBondContact O-CB 3.45Å; A64-A68 PolarHBondContact O-N 3.22Å; N66-A68 PolarHBondContact O-N 3.25Å; A68-A70 PolarHBondContact O-N 2.97Å; A68-N72 WeakPolarHBondContact O-CB 3.41Å; A68-N72 PolarHBondContact O-N 3.19Å |
| 69 | R | 94.2 | Very high | 92 | Very high | 189 Ų | 189 | 77 Ų | 77 | 71% | 0.713 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -63.2 | -43.2 | 178.1 | -74.2 | -177.2 | -75.7 | 175.9 | -3.2 | 112.6 | H65 N66 C67 | H65-R69 WeakPolarHBondContact O-CG 3.42Å; H65-R69 PolarHBondContact O-N 3.01Å; H65-R69 VanDerWaalsContact O-N 3.12Å; H65-R69 PolarHBondContact O-NE 2.81Å; N66-R69 PolarHBondContact O-N 3.13Å; C67-R69 PolarHBondContact O-N 2.99Å |
| 70 | A | 93.4 | Very high | 92.2 | Very high | 24 Ų | 24 | 75 Ų | 75 | 20% | 0.198 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -72.1 | -34.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y33 N66 C67 A68 K74 | Y33-A70 HydrophobicContact CD1-CB 4.02Å; Y33-A70 HydrophobicContact CE1-CB 3.45Å; Y33-A70 VanDerWaalsContact CE1-CB 3.45Å; N66-A70 WeakPolarHBondContact O-CB 3.43Å; N66-A70 PolarHBondContact O-N 3.46Å; C67-A70 PolarHBondContact O-N 3.33Å; A68-A70 PolarHBondContact O-N 2.97Å; A70-K74 WeakPolarHBondContact O-CD 3.36Å; A70-K74 WeakPolarHBondContact O-CE 3.45Å; A70-K74 WeakPolarHBondContact O-CG 3.42Å; A70-K74 PolarHBondContact O-NZ 3.38Å |
| 71 | V | 93.6 | Very high | 92.4 | Very high | 4 Ų | 4 | 70.9 Ų | 70.9 | 2% | 0.024 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -92.7 | -21 | -173 | 177.7 | 0 | 0 | 0 | 0 | 112 | F30 Y33 C67 N73 K74 V81 A83 | F30-V71 HydrophobicContact CE1-CG1 4.2Å; F30-V71 HydrophobicContact CE1-CG2 4.02Å; Y33-V71 HydrophobicContact CD2-CG2 4.32Å; Y33-V71 HydrophobicContact CE2-CG2 3.57Å; C67-V71 VanDerWaalsContact O-CB 3.24Å; C67-V71 WeakPolarHBondContact O-CB 3.24Å; C67-V71 VanDerWaalsContact O-CG2 3.24Å; C67-V71 WeakPolarHBondContact O-CG2 3.24Å; C67-V71 PolarHBondContact O-N 3.43Å; V71-N73 PolarHBondContact O-N 2.91Å; V71-K74 PolarHBondContact O-N 3.21Å; V71-K74 VanDerWaalsContact O-N 3.09Å; V71-V81 HydrophobicContact CG1-CG2 3.77Å; V71-A83 HydrophobicContact CB-CB 3.9Å; V71-A83 HydrophobicContact CG1-CB 3.98Å |
| 72 | N | 94.6 | Very high | 92.5 | Very high | 69 Ų | 69 | 70.3 Ų | 70.3 | 37% | 0.369 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 125.2 | 179.1 | -163.3 | 23.1 | 0 | 0 | 0 | 111.3 | A68 K74 A83 | A68-N72 WeakPolarHBondContact O-CB 3.41Å; A68-N72 PolarHBondContact O-N 3.19Å; N72-K74 VanDerWaalsContact C-N 3.26Å; N72-K74 PolarHBondContact O-N 3.35Å; N72-A83 HydrophobicContact CB-CB 4.5Å; N72-A83 PolarHBondContact OD1-N 3.23Å |
| 73 | N | 93.4 | Very high | 92.7 | Very high | 102 Ų | 102 | 62.8 Ų | 62.8 | 55% | 0.545 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.8 | 18.1 | -176.8 | -53.4 | -45.2 | 0 | 0 | 0 | 115.7 | V71 T80 V81 | V71-N73 PolarHBondContact O-N 2.91Å; N73-T80 HydrophobicContact CB-CG2 4.39Å; N73-V81 WeakPolarHBondContact CA-O 3.21Å; N73-V81 PolarHBondContact N-O 3.46Å |
| 74 | K | 91.9 | Very high | 92.7 | Very high | 89 Ų | 89 | 65.1 Ų | 65.1 | 39% | 0.387 | 33% | 0.333 | S | S | . | . | trans | -78.7 | 150.5 | 168.7 | -78.3 | -169.9 | 172.6 | 149.7 | 0 | 111.5 | Y33 A70 V71 N72 T80 V81 | Y33-K74 PolarHBondContact OH-NZ 3.39Å; A70-K74 WeakPolarHBondContact O-CD 3.36Å; A70-K74 WeakPolarHBondContact O-CE 3.45Å; A70-K74 WeakPolarHBondContact O-CG 3.42Å; A70-K74 PolarHBondContact O-NZ 3.38Å; V71-K74 PolarHBondContact O-N 3.21Å; V71-K74 VanDerWaalsContact O-N 3.09Å; N72-K74 VanDerWaalsContact C-N 3.26Å; N72-K74 PolarHBondContact O-N 3.35Å; K74-T80 CarbonylContact O-C 3.58Å; K74-T80 WeakPolarHBondContact O-CA 3.46Å; K74-V81 HydrophobicContact CB-CG2 4.44Å; K74-V81 VanDerWaalsContact O-CG2 3.22Å; K74-V81 WeakPolarHBondContact O-CG2 3.42Å; K74-V81 PolarHBondContact O-N 3.08Å | ||
| 75 | Q | 91.9 | Very high | 92.7 | Very high | 150 Ų | 150 | 68 Ų | 68 | 70% | 0.701 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86 | 124.4 | 169.5 | -69.4 | -178.3 | 18.7 | 0 | 0 | 110 | R79 | Q75-R79 CarbonylContact C-O 3.55Å; Q75-R79 WeakPolarHBondContact CA-O 3.11Å |
| 76 | L | 87.2 | Confident | 92.6 | Very high | 38 Ų | 38 | 65.7 Ų | 65.7 | 20% | 0.199 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 120.7 | 170.1 | -66.9 | -179.1 | 0 | 0 | 0 | 108.1 | L17 G78 R79 V81 | L17-L76 HydrophobicContact CD2-CD1 4.45Å; L76-G78 VanDerWaalsContact C-N 3.28Å; L76-G78 PolarHBondContact O-N 3.38Å; L76-R79 PolarHBondContact N-O 3.27Å; L76-R79 PolarHBondContact O-N 3.37Å; L76-V81 HydrophobicContact CB-CG1 4.06Å; L76-V81 HydrophobicContact CB-CG2 4.43Å; L76-V81 HydrophobicContact CD1-CB 4.45Å; L76-V81 HydrophobicContact CD1-CG1 4.03Å; L76-V81 HydrophobicContact CD1-CG2 3.68Å; L76-V81 HydrophobicContact CG-CG1 4.29Å; L76-V81 HydrophobicContact CG-CG2 3.85Å |
| 77 | F | 85.4 | Confident | 92.3 | Very high | 141 Ų | 141 | 68.9 Ų | 68.9 | 62% | 0.618 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 44.5 | 178.7 | -53.7 | -85.5 | 0 | 0 | 0 | 113.3 | P18 L21 L29 R79 | P18-F77 HydrophobicContact CG-CB 4.11Å; P18-F77 HydrophobicContact CG-CD2 3.95Å; P18-F77 HydrophobicContact CG-CG 4.31Å; L21-F77 HydrophobicContact CD1-CD2 4.07Å; L21-F77 HydrophobicContact CD1-CE2 3.95Å; L21-F77 HydrophobicContact CD2-CD2 4.42Å; L21-F77 HydrophobicContact CD2-CE2 3.69Å; L21-F77 HydrophobicContact CD2-CZ 4.08Å; L21-F77 HydrophobicContact CG-CD2 4.38Å; L21-F77 HydrophobicContact CG-CE2 4.12Å; L29-F77 HydrophobicContact CD1-CE2 4.35Å; F77-R79 VanDerWaalsContact C-N 3.26Å; F77-R79 PolarHBondContact O-N 2.65Å |
| 78 | G | 87.9 | Confident | 91.7 | Very high | 72 Ų | 72 | 73 Ų | 73 | 74% | 0.742 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.2 | 8.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | L76 | L76-G78 VanDerWaalsContact C-N 3.28Å; L76-G78 PolarHBondContact O-N 3.38Å |
| 79 | R | 90.6 | Very high | 91.1 | Very high | 94 Ų | 94 | 78.8 Ų | 78.8 | 36% | 0.355 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 134.9 | 175.4 | -64.7 | -175.1 | 179.5 | 179.7 | -0.3 | 111 | Q75 L76 F77 V81 | Q75-R79 CarbonylContact C-O 3.55Å; Q75-R79 WeakPolarHBondContact CA-O 3.11Å; L76-R79 PolarHBondContact N-O 3.27Å; L76-R79 PolarHBondContact O-N 3.37Å; F77-R79 VanDerWaalsContact C-N 3.26Å; F77-R79 PolarHBondContact O-N 2.65Å; R79-V81 PolarHBondContact O-N 3.03Å |
| 80 | T | 94.3 | Very high | 90.1 | Very high | 62 Ų | 62 | 71.9 Ų | 71.9 | 38% | 0.38 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 112.2 | 173.5 | -52.4 | 0 | 0 | 0 | 0 | 109.5 | N16 N73 K74 | N16-T80 PolarHBondContact ND2-O 2.85Å; N73-T80 HydrophobicContact CB-CG2 4.39Å; K74-T80 CarbonylContact O-C 3.58Å; K74-T80 WeakPolarHBondContact O-CA 3.46Å |
| 81 | V | 94.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 78.4 Ų | 78.4 | 0% | 0 | 41% | 0.413 | C | S | . | . | trans | -87.3 | 147.4 | 178.4 | -67.5 | 0 | 0 | 0 | 0 | 111 | L17 V71 N73 K74 L76 R79 | L17-V81 HydrophobicContact CD2-CG1 3.8Å; L17-V81 HydrophobicContact CG-CG1 4.45Å; V71-V81 HydrophobicContact CG1-CG2 3.77Å; N73-V81 WeakPolarHBondContact CA-O 3.21Å; N73-V81 PolarHBondContact N-O 3.46Å; K74-V81 HydrophobicContact CB-CG2 4.44Å; K74-V81 VanDerWaalsContact O-CG2 3.22Å; K74-V81 WeakPolarHBondContact O-CG2 3.42Å; K74-V81 PolarHBondContact O-N 3.08Å; L76-V81 HydrophobicContact CB-CG1 4.06Å; L76-V81 HydrophobicContact CB-CG2 4.43Å; L76-V81 HydrophobicContact CD1-CB 4.45Å; L76-V81 HydrophobicContact CD1-CG1 4.03Å; L76-V81 HydrophobicContact CD1-CG2 3.68Å; L76-V81 HydrophobicContact CG-CG1 4.29Å; L76-V81 HydrophobicContact CG-CG2 3.85Å; R79-V81 PolarHBondContact O-N 3.03Å | ||
| 82 | K | 94.9 | Very high | 87.6 | Confident | 121 Ų | 121 | 79.9 Ų | 79.9 | 53% | 0.526 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 135.7 | 172.9 | -68.3 | -178.6 | 177.8 | -179.1 | 0 | 108.8 | V14 S15 | V14-K82 CarbonylContact C-O 3.57Å; V14-K82 WeakPolarHBondContact CA-O 3.4Å; S15-K82 PolarHBondContact N-O 3.17Å; S15-K82 PolarHBondContact O-N 3.45Å; S15-K82 VanDerWaalsContact O-N 3.11Å |
| 83 | A | 94.9 | Very high | 86.2 | Confident | 4 Ų | 4 | 79.1 Ų | 79.1 | 3% | 0.033 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 131.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | V12 Y13 V14 V71 N72 | V12-A83 HydrophobicContact CG1-CB 4.27Å; Y13-A83 CarbonylContact O-C 3.56Å; Y13-A83 VanDerWaalsContact O-CA 3.31Å; Y13-A83 WeakPolarHBondContact O-CA 3.39Å; V14-A83 HydrophobicContact CG2-CB 4.46Å; V71-A83 HydrophobicContact CB-CB 3.9Å; V71-A83 HydrophobicContact CG1-CB 3.98Å; N72-A83 HydrophobicContact CB-CB 4.5Å; N72-A83 PolarHBondContact OD1-N 3.23Å |
| 84 | S | 94.3 | Very high | 84.7 | Confident | 60 Ų | 60 | 78.6 Ų | 78.6 | 42% | 0.42 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 166.2 | 177.6 | 62.6 | 0 | 0 | 0 | 0 | 110.6 | V12 Y13 A86 | V12-S84 WeakPolarHBondContact CA-O 3.35Å; Y13-S84 PolarHBondContact N-O 3.29Å; Y13-S84 PolarHBondContact O-N 3.45Å; S84-A86 PolarHBondContact O-N 2.84Å |
| 85 | I | 93.4 | Very high | 83.1 | Confident | 62 Ų | 62 | 80.9 Ų | 80.9 | 32% | 0.318 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 133.9 | 172 | -58.6 | 160.4 | 0 | 0 | 0 | 107.7 | H65 I87 | H65-I85 WeakPolarHBondContact CE1-CD1 3.49Å; H65-I85 WeakPolarHBondContact ND1-CD1 3.29Å; I85-I87 PolarHBondContact O-N 3.3Å |
| 86 | A | 91.2 | Very high | 81.7 | Confident | 9 Ų | 9 | 79.6 Ų | 79.6 | 7% | 0.074 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 125.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | T11 F55 S84 | T11-A86 HydrophobicContact CG2-CB 4.08Å; T11-A86 WeakPolarHBondContact O-CB 3.4Å; T11-A86 PolarHBondContact O-N 3.41Å; F55-A86 HydrophobicContact CD1-CB 4.11Å; F55-A86 HydrophobicContact CE1-CB 4.19Å; S84-A86 PolarHBondContact O-N 2.84Å |
| 87 | I | 87.8 | Confident | 80.5 | Confident | 147 Ų | 147 | 88 Ų | 88 | 75% | 0.754 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -86.3 | 128.1 | 171.7 | -56.6 | 170.6 | 0 | 0 | 0 | 107.1 | I85 N89 | I85-I87 PolarHBondContact O-N 3.3Å; I87-N89 PolarHBondContact O-OD1 3.49Å |
| 88 | D | 82.3 | Confident | 79 | Confident | 87 Ų | 87 | 88.8 Ų | 88.8 | 47% | 0.465 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -79.1 | 137.6 | 175.5 | 52.7 | -76 | 0 | 0 | 0 | 111.6 | S8 G90 | S8-D88 WeakPolarHBondContact CB-OD1 3.44Å; S8-D88 PolarHBondContact OG-OD1 3.44Å; D88-G90 PolarHBondContact O-N 3.38Å |
| 89 | N | 80.6 | Confident | 77.4 | Confident | 130 Ų | 130 | 94.7 Ų | 94.7 | 70% | 0.695 | 46% | 0.458 | S | S | * | . | trans | -81.1 | 19.3 | -176.9 | -51.5 | 9.3 | 0 | 0 | 0 | 112 | I87 R91 | I87-N89 PolarHBondContact O-OD1 3.49Å; N89-R91 PolarHBondContact O-N 3.32Å | ||
| 90 | G | 73.2 | Confident | 75.9 | Confident | 44 Ų | 44 | 97.1 Ų | 97.1 | 45% | 0.454 | 48% | 0.478 | S | S | . | . | S | Bend | trans | 66.8 | -20.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | D88 A92 A93 | D88-G90 PolarHBondContact O-N 3.38Å; G90-A92 PolarHBondContact O-N 3.41Å; G90-A93 PolarHBondContact O-N 3.25Å |
| 91 | R | 68.9 | Low | 74.1 | Confident | 161 Ų | 161 | 103.3 Ų | 103.3 | 61% | 0.608 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.5 | -22.8 | -178.2 | -68.4 | -170.3 | -175.6 | 125.4 | 2.3 | 114.1 | N89 A93 E94 F95 | N89-R91 PolarHBondContact O-N 3.32Å; R91-A93 VanDerWaalsContact C-N 3.26Å; R91-A93 PolarHBondContact O-N 3.06Å; R91-E94 WeakPolarHBondContact O-CB 3.3Å; R91-E94 PolarHBondContact O-N 3.12Å; R91-E94 VanDerWaalsContact O-N 3.1Å; R91-F95 HydrophobicContact CB-CD2 4.26Å; R91-F95 HydrophobicContact CB-CE2 4.21Å; R91-F95 VanDerWaalsContact O-CD2 3.24Å; R91-F95 WeakPolarHBondContact O-CD2 3.37Å; R91-F95 PolarHBondContact O-N 3.49Å |
| 92 | A | 66 | Low | 72.3 | Confident | 36 Ų | 36 | 108 Ų | 108 | 30% | 0.298 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.3 | -39.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112 | G90 E94 F95 I96 | G90-A92 PolarHBondContact O-N 3.41Å; A92-E94 VanDerWaalsContact C-N 3.35Å; A92-E94 PolarHBondContact O-N 2.89Å; A92-F95 PolarHBondContact O-N 2.87Å; A92-I96 WeakPolarHBondContact O-CG1 3.35Å; A92-I96 PolarHBondContact O-N 3.36Å; A92-I96 VanDerWaalsContact O-N 3.08Å |
| 93 | A | 64.8 | Low | 70.6 | Confident | 52 Ų | 52 | 106.8 Ų | 106.8 | 43% | 0.43 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.7 | -38.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | G90 R91 I96 R97 | G90-A93 PolarHBondContact O-N 3.25Å; R91-A93 VanDerWaalsContact C-N 3.26Å; R91-A93 PolarHBondContact O-N 3.06Å; A93-I96 PolarHBondContact O-N 3.24Å; A93-R97 WeakPolarHBondContact O-CG 3.36Å; A93-R97 PolarHBondContact O-N 3.11Å |
| 94 | E | 62.2 | Low | 69 | Low | 92 Ų | 92 | 116.4 Ų | 116.4 | 43% | 0.43 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.1 | -41.2 | 175.2 | -62.2 | -163.3 | 153 | 0 | 0 | 112.4 | R91 A92 I96 R97 R98 | R91-E94 WeakPolarHBondContact O-CB 3.3Å; R91-E94 PolarHBondContact O-N 3.12Å; R91-E94 VanDerWaalsContact O-N 3.1Å; A92-E94 VanDerWaalsContact C-N 3.35Å; A92-E94 PolarHBondContact O-N 2.89Å; E94-I96 VanDerWaalsContact C-N 3.33Å; E94-I96 PolarHBondContact O-N 2.88Å; E94-R97 PolarHBondContact O-N 2.8Å; E94-R98 WeakPolarHBondContact O-CB 3.12Å; E94-R98 VanDerWaalsContact O-CG 3.25Å; E94-R98 WeakPolarHBondContact O-CG 3.31Å; E94-R98 PolarHBondContact O-N 3.43Å; E94-R98 IonicContact OE1-NH2 2.86Å; E94-R98 IonicContact OE2-CZ 3.09Å; E94-R98 VanDerWaalsContact OE2-CZ 3.23Å; E94-R98 IonicContact OE2-NH1 3.82Å; E94-R98 PolarHBondContact OE2-NH1 3.27Å; E94-R98 IonicContact OE2-NH2 3.23Å; E94-R98 PolarHBondContact OE2-NH2 3Å |
| 95 | F | 58.8 | Low | 67.9 | Low | 136 Ų | 136 | 116.4 Ų | 116.4 | 60% | 0.596 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -67 | -32.4 | 178.4 | -82.4 | -75.4 | 0 | 0 | 0 | 112.9 | R91 A92 | R91-F95 HydrophobicContact CB-CD2 4.26Å; R91-F95 HydrophobicContact CB-CE2 4.21Å; R91-F95 VanDerWaalsContact O-CD2 3.24Å; R91-F95 WeakPolarHBondContact O-CD2 3.37Å; R91-F95 PolarHBondContact O-N 3.49Å; A92-F95 PolarHBondContact O-N 2.87Å |
| 96 | I | 62.4 | Low | 67.3 | Low | 124 Ų | 124 | 120.1 Ų | 120.1 | 64% | 0.636 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -67.4 | -40.7 | 173.3 | -67.1 | 164.7 | 0 | 0 | 0 | 110.4 | A92 A93 E94 | A92-I96 WeakPolarHBondContact O-CG1 3.35Å; A92-I96 PolarHBondContact O-N 3.36Å; A92-I96 VanDerWaalsContact O-N 3.08Å; A93-I96 PolarHBondContact O-N 3.24Å; E94-I96 VanDerWaalsContact C-N 3.33Å; E94-I96 PolarHBondContact O-N 2.88Å |
| 97 | R | 61.3 | Low | 66.8 | Low | 214 Ų | 214 | 119.8 Ų | 119.8 | 81% | 0.808 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -71.3 | -27.2 | 178.1 | -69.6 | 176.4 | -178.6 | 175.4 | 0.5 | 113.4 | A93 E94 R99 | A93-R97 WeakPolarHBondContact O-CG 3.36Å; A93-R97 PolarHBondContact O-N 3.11Å; E94-R97 PolarHBondContact O-N 2.8Å; R97-R99 VanDerWaalsContact C-N 3.29Å; R97-R99 PolarHBondContact O-N 2.99Å |
| 98 | R | 55.3 | Low | 66.4 | Low | 158 Ų | 158 | 121.6 Ų | 121.6 | 60% | 0.596 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | 12.2 | -173.3 | -81.2 | -179.6 | -177.4 | 133.4 | 9 | 116.2 | E94 | E94-R98 WeakPolarHBondContact O-CB 3.12Å; E94-R98 VanDerWaalsContact O-CG 3.25Å; E94-R98 WeakPolarHBondContact O-CG 3.31Å; E94-R98 PolarHBondContact O-N 3.43Å; E94-R98 IonicContact OE1-NH2 2.86Å; E94-R98 IonicContact OE2-CZ 3.09Å; E94-R98 VanDerWaalsContact OE2-CZ 3.23Å; E94-R98 IonicContact OE2-NH1 3.82Å; E94-R98 PolarHBondContact OE2-NH1 3.27Å; E94-R98 IonicContact OE2-NH2 3.23Å; E94-R98 PolarHBondContact OE2-NH2 3Å |
| 99 | R | 53.1 | Low | 66.1 | Low | 195 Ų | 195 | 121 Ų | 121 | 74% | 0.736 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.9 | 25 | 179.5 | -125.9 | -167.7 | -59 | 162.1 | 2.3 | 115.4 | R97 Y101 | R97-R99 VanDerWaalsContact C-N 3.29Å; R97-R99 PolarHBondContact O-N 2.99Å; R99-Y101 HydrophobicContact CG-CD2 4.47Å; R99-Y101 HydrophobicContact CG-CE2 4.11Å; R99-Y101 PolarHBondContact O-N 3.29Å |
| 100 | N | 60.1 | Low | 66.2 | Low | 145 Ų | 145 | 116.5 Ų | 116.5 | 78% | 0.775 | 55% | 0.545 | S | S | * | . | trans | -85.3 | 94.5 | 155.4 | -113.1 | 8 | 0 | 0 | 0 | 107.5 | T102 | N100-T102 VanDerWaalsContact C-N 3.29Å; N100-T102 PolarHBondContact O-N 3.45Å | ||
| 101 | Y | 55.7 | Low | 66.4 | Low | 192 Ų | 192 | 116.5 Ų | 116.5 | 75% | 0.753 | 55% | 0.545 | S | S | * | . | trans | -66.4 | 99.4 | 160.5 | -76.8 | -95 | 0 | 0 | 0 | 105.5 | R99 D103 | R99-Y101 HydrophobicContact CG-CD2 4.47Å; R99-Y101 HydrophobicContact CG-CE2 4.11Å; R99-Y101 PolarHBondContact O-N 3.29Å; Y101-D103 VanDerWaalsContact C-N 3.29Å; Y101-D103 PolarHBondContact O-N 2.86Å | ||
| 102 | T | 57.3 | Low | 66.9 | Low | 100 Ų | 100 | 112.5 Ų | 112.5 | 61% | 0.613 | 53% | 0.533 | S | S | * | . | trans | -67.5 | 103.9 | 161 | 51.6 | 0 | 0 | 0 | 0 | 104.6 | N100 K104 | N100-T102 VanDerWaalsContact C-N 3.29Å; N100-T102 PolarHBondContact O-N 3.45Å; T102-K104 PolarHBondContact O-N 3.21Å | ||
| 103 | D | 58.5 | Low | 67.4 | Low | 94 Ų | 94 | 116 Ų | 116 | 50% | 0.503 | 55% | 0.551 | S | S | . | * | trans | -51.1 | 115.7 | 173.7 | -68.3 | -43.2 | 0 | 0 | 0 | 106.4 | Y101 T105 L116 | Y101-D103 VanDerWaalsContact C-N 3.29Å; Y101-D103 PolarHBondContact O-N 2.86Å; D103-T105 PolarHBondContact O-N 3.41Å; D103-L116 HydrophobicContact CB-CD2 4.12Å | ||
| 104 | K | 62.8 | Low | 68 | Low | 206 Ų | 206 | 116.8 Ų | 116.8 | 90% | 0.896 | 56% | 0.564 | S | S | * | * | trans | -68.8 | 13.9 | -176.5 | -60 | 177.7 | -174.3 | -174.6 | 0 | 112.1 | T102 | T102-K104 PolarHBondContact O-N 3.21Š| ||
| 105 | T | 70.6 | Confident | 68.7 | Low | 61 Ų | 61 | 114.1 Ų | 114.1 | 37% | 0.374 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -84 | 118.3 | 177.4 | 51 | 0 | 0 | 0 | 0 | 107.8 | D103 | D103-T105 PolarHBondContact O-N 3.41Š|
| 106 | K | 80.8 | Confident | 69.6 | Low | 139 Ų | 139 | 110.7 Ų | 110.7 | 60% | 0.604 | 54% | 0.539 | S | S | * | . | trans | -43.4 | 143.2 | 169.9 | -62 | 174.8 | -177.7 | -178.3 | 0 | 109.9 | Y108 T113 | K106-Y108 PolarHBondContact O-N 3.23Å; K106-T113 HydrophobicContact CG-CG2 3.82Å | ||
| 107 | C | 81 | Confident | 70.2 | Confident | 3 Ų | 3 | 105.6 Ų | 105.6 | 2% | 0.02 | 52% | 0.515 | C | S | . | . | trans | -54.1 | 129.2 | 173 | 178.3 | 0 | 0 | 0 | 0 | 109.9 | E109 C110 G111 E112 H115 C120 | C107-E109 PolarHBondContact O-N 3.35Å; C107-E109 PolarHBondContact SG-N 3.37Å; C107-C110 VanDerWaalsContact CB-SG 3.55Å; C107-G111 WeakPolarHBondContact O-CA 3.27Å; C107-G111 PolarHBondContact O-N 2.91Å; C107-E112 WeakPolarHBondContact CB-O 2.99Å; C107-E112 PolarHBondContact N-O 3.49Å; C107-H115 WeakPolarHBondContact CB-NE2 3.32Å; C107-H115 PolarHBondContact SG-NE2 3.07Å; C107-H115 VanDerWaalsContact SG-NE2 3.43Å; C107-C120 VanDerWaalsContact SG-SG 3.64Å | ||
| 108 | Y | 79.6 | Confident | 70.8 | Confident | 185 Ų | 185 | 102 Ų | 102 | 73% | 0.725 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -8.9 | -179.1 | -60.4 | -86.8 | 0 | 0 | 0 | 113.1 | K106 S117 | K106-Y108 PolarHBondContact O-N 3.23Å; Y108-S117 VanDerWaalsContact CB-OG 3.3Å; Y108-S117 WeakPolarHBondContact CB-OG 3.41Å; Y108-S117 PolarHBondContact N-OG 3.12Å; Y108-S117 VanDerWaalsContact N-OG 3.13Å |
| 109 | E | 75.3 | Confident | 71.8 | Confident | 73 Ų | 73 | 97.9 Ų | 97.9 | 34% | 0.341 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -53.4 | 178.8 | -67.9 | 179.4 | 175.9 | 0 | 0 | 112 | C107 N123 | C107-E109 PolarHBondContact O-N 3.35Å; C107-E109 PolarHBondContact SG-N 3.37Å; E109-N123 WeakPolarHBondContact OE2-CB 3.19Å; E109-N123 PolarHBondContact OE2-OD1 2.83Å |
| 110 | C | 82.7 | Confident | 73 | Confident | 37 Ų | 37 | 89 Ų | 89 | 25% | 0.25 | 47% | 0.47 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | -7.6 | -177.3 | 70.8 | 0 | 0 | 0 | 0 | 114.8 | C107 E112 H115 C120 K122 | C107-C110 VanDerWaalsContact CB-SG 3.55Å; C110-E112 HydrophobicContact CB-CG 4.49Å; C110-E112 PolarHBondContact O-N 2.92Å; C110-E112 VanDerWaalsContact O-N 3.16Å; C110-E112 VanDerWaalsContact SG-CB 3.58Å; C110-E112 PolarHBondContact SG-N 3.35Å; C110-H115 PolarHBondContact SG-CE1 3.5Å; C110-H115 PolarHBondContact SG-NE2 2.93Å; C110-C120 PolarHBondContact SG-SG 3.35Å; C110-K122 HydrophobicContact CB-CB 4.3Å; C110-K122 HydrophobicContact CB-CD 4.11Å |
| 111 | G | 77.9 | Confident | 73.9 | Confident | 44 Ų | 44 | 87.3 Ų | 87.3 | 45% | 0.454 | 47% | 0.466 | S | S | . | . | trans | 72.6 | -3.2 | -178 | 0 | 0 | 0 | 0 | 0 | 115.5 | C107 | C107-G111 WeakPolarHBondContact O-CA 3.27Å; C107-G111 PolarHBondContact O-N 2.91Å | ||
| 112 | E | 79.8 | Confident | 74.9 | Confident | 76 Ų | 76 | 84.1 Ų | 84.1 | 36% | 0.355 | 46% | 0.456 | S | S | . | . | trans | -76.1 | 150.4 | -179.8 | -63.7 | 170.2 | -177.7 | 0 | 0 | 111.7 | C107 C110 H115 K122 | C107-E112 WeakPolarHBondContact CB-O 2.99Å; C107-E112 PolarHBondContact N-O 3.49Å; C110-E112 HydrophobicContact CB-CG 4.49Å; C110-E112 PolarHBondContact O-N 2.92Å; C110-E112 VanDerWaalsContact O-N 3.16Å; C110-E112 VanDerWaalsContact SG-CB 3.58Å; C110-E112 PolarHBondContact SG-N 3.35Å; E112-H115 IonicContact OE2-CE1 2.83Å; E112-K122 WeakPolarHBondContact OE1-CE 3.43Å; E112-K122 IonicContact OE1-NZ 2.63Å; E112-K122 PolarHBondContact OE1-NZ 2.86Å | ||
| 113 | T | 75.5 | Confident | 75.7 | Confident | 110 Ų | 110 | 80.6 Ų | 80.6 | 68% | 0.675 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -90.8 | 145.6 | 176.9 | 51.2 | 0 | 0 | 0 | 0 | 110.4 | K106 | K106-T113 HydrophobicContact CG-CG2 3.82Š|
| 114 | G | 78.1 | Confident | 76.5 | Confident | 69 Ų | 69 | 84.4 Ų | 84.4 | 71% | 0.711 | 45% | 0.454 | S | S | * | . | S | Bend | trans | 112.7 | -7.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 115 | H | 76.8 | Confident | 76.7 | Confident | 36 Ų | 36 | 80.2 Ų | 80.2 | 17% | 0.167 | 44% | 0.44 | C | S | . | . | S | Bend | trans | -149.7 | 158.3 | 174 | 63.2 | -88.2 | 0 | 0 | 0 | 111.9 | C107 C110 E112 A119 C120 | C107-H115 WeakPolarHBondContact CB-NE2 3.32Å; C107-H115 PolarHBondContact SG-NE2 3.07Å; C107-H115 VanDerWaalsContact SG-NE2 3.43Å; C110-H115 PolarHBondContact SG-CE1 3.5Å; C110-H115 PolarHBondContact SG-NE2 2.93Å; E112-H115 IonicContact OE2-CE1 2.83Å; H115-A119 HydrophobicContact CB-CB 4.49Å; H115-C120 WeakPolarHBondContact CD2-CA 3.5Å; H115-C120 PolarHBondContact NE2-SG 2.96Å |
| 116 | L | 76.4 | Confident | 76.6 | Confident | 63 Ų | 63 | 79.1 Ų | 79.1 | 33% | 0.33 | 44% | 0.441 | S | S | . | . | trans | -90.9 | 160.9 | 170.4 | -69 | 170.7 | 0 | 0 | 0 | 109.8 | D103 Y118 A119 C120 | D103-L116 HydrophobicContact CB-CD2 4.12Å; L116-Y118 PolarHBondContact O-N 3.28Å; L116-A119 CarbonylContact O-C 3.53Å; L116-A119 PolarHBondContact O-N 3.25Å; L116-C120 PolarHBondContact O-N 2.8Å | ||
| 117 | S | 76.4 | Confident | 75.9 | Confident | 17 Ų | 17 | 82.1 Ų | 82.1 | 12% | 0.119 | 46% | 0.457 | C | S | . | . | G | 310 helix | trans | -48.8 | -37.1 | -179.8 | -52.4 | 0 | 0 | 0 | 0 | 113.9 | Y108 A119 C120 | Y108-S117 VanDerWaalsContact CB-OG 3.3Å; Y108-S117 WeakPolarHBondContact CB-OG 3.41Å; Y108-S117 PolarHBondContact N-OG 3.12Å; Y108-S117 VanDerWaalsContact N-OG 3.13Å; S117-A119 PolarHBondContact O-N 3.31Å; S117-C120 WeakPolarHBondContact O-CB 3.33Å; S117-C120 PolarHBondContact O-N 2.81Å; S117-C120 VanDerWaalsContact O-N 3.16Å |
| 118 | Y | 74.1 | Confident | 75.5 | Confident | 138 Ų | 138 | 87.8 Ų | 87.8 | 54% | 0.541 | 48% | 0.478 | S | S | . | . | G | 310 helix | trans | -64 | -21.1 | 178 | -62.5 | -74.4 | 0 | 0 | 0 | 115 | L116 R128 | L116-Y118 PolarHBondContact O-N 3.28Å; Y118-R128 HydrophobicContact CD1-CB 4.29Å |
| 119 | A | 74.8 | Confident | 74.9 | Confident | 72 Ų | 72 | 87.4 Ų | 87.4 | 60% | 0.595 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -117 | 23.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | H115 L116 S117 | H115-A119 HydrophobicContact CB-CB 4.49Å; L116-A119 CarbonylContact O-C 3.53Å; L116-A119 PolarHBondContact O-N 3.25Å; S117-A119 PolarHBondContact O-N 3.31Å |
| 120 | C | 79.6 | Confident | 74.7 | Confident | 10 Ų | 10 | 88.5 Ų | 88.5 | 7% | 0.068 | 50% | 0.496 | C | S | . | . | trans | -75.6 | 124 | -178.3 | -172.5 | 0 | 0 | 0 | 0 | 111.4 | C107 C110 H115 L116 S117 K122 N123 | C107-C120 VanDerWaalsContact SG-SG 3.64Å; C110-C120 PolarHBondContact SG-SG 3.35Å; H115-C120 WeakPolarHBondContact CD2-CA 3.5Å; H115-C120 PolarHBondContact NE2-SG 2.96Å; L116-C120 PolarHBondContact O-N 2.8Å; S117-C120 WeakPolarHBondContact O-CB 3.33Å; S117-C120 PolarHBondContact O-N 2.81Å; S117-C120 VanDerWaalsContact O-N 3.16Å; C120-K122 PolarHBondContact O-N 3.38Å; C120-K122 PolarHBondContact SG-N 2.82Å; C120-N123 HydrophobicContact CB-CB 4.12Å; C120-N123 WeakPolarHBondContact O-CB 3.3Å; C120-N123 PolarHBondContact O-N 2.92Å; C120-N123 VanDerWaalsContact O-N 3.13Å | ||
| 121 | P | 78.9 | Confident | 74.2 | Confident | 108 Ų | 108 | 91.2 Ų | 91.2 | 70% | 0.701 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -14.4 | 177.2 | 29.5 | -35.1 | 0 | 0 | 0 | 112.8 | ||
| 122 | K | 76.5 | Confident | 74.2 | Confident | 125 Ų | 125 | 98.4 Ų | 98.4 | 54% | 0.543 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 16.3 | 174.6 | -59.3 | -178 | -175.4 | 168.9 | 0 | 112.3 | C110 E112 C120 L124 | C110-K122 HydrophobicContact CB-CB 4.3Å; C110-K122 HydrophobicContact CB-CD 4.11Å; E112-K122 WeakPolarHBondContact OE1-CE 3.43Å; E112-K122 IonicContact OE1-NZ 2.63Å; E112-K122 PolarHBondContact OE1-NZ 2.86Å; C120-K122 PolarHBondContact O-N 3.38Å; C120-K122 PolarHBondContact SG-N 2.82Å; K122-L124 PolarHBondContact O-N 3.36Å |
| 123 | N | 74.6 | Confident | 73.8 | Confident | 27 Ų | 27 | 104.4 Ų | 104.4 | 14% | 0.144 | 56% | 0.558 | C | S | . | * | trans | -65.8 | 101.4 | -179.3 | -179.5 | -2.3 | 0 | 0 | 0 | 110.2 | E109 C120 L125 G126 | E109-N123 WeakPolarHBondContact OE2-CB 3.19Å; E109-N123 PolarHBondContact OE2-OD1 2.83Å; C120-N123 HydrophobicContact CB-CB 4.12Å; C120-N123 WeakPolarHBondContact O-CB 3.3Å; C120-N123 PolarHBondContact O-N 2.92Å; C120-N123 VanDerWaalsContact O-N 3.13Å; N123-L125 PolarHBondContact O-N 3.42Å; N123-L125 WeakPolarHBondContact OD1-CA 3.37Å; N123-L125 WeakPolarHBondContact OD1-CB 3.41Å; N123-L125 PolarHBondContact OD1-N 2.84Å; N123-G126 PolarHBondContact ND2-O 3.4Å | ||
| 124 | L | 73.6 | Confident | 73.6 | Confident | 174 Ų | 174 | 108.7 Ų | 108.7 | 91% | 0.911 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -12.9 | 178.9 | -65.2 | 171.5 | 0 | 0 | 0 | 113 | K122 | K122-L124 PolarHBondContact O-N 3.36Š|
| 125 | L | 68.2 | Low | 73.3 | Confident | 117 Ų | 117 | 114 Ų | 114 | 61% | 0.613 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | 7.7 | -177.9 | -73.2 | 134.9 | 0 | 0 | 0 | 113 | N123 R128 | N123-L125 PolarHBondContact O-N 3.42Å; N123-L125 WeakPolarHBondContact OD1-CA 3.37Å; N123-L125 WeakPolarHBondContact OD1-CB 3.41Å; N123-L125 PolarHBondContact OD1-N 2.84Å; L125-R128 VanDerWaalsContact CD1-NH2 3.32Å |
| 126 | G | 68.6 | Low | 72.9 | Confident | 38 Ų | 38 | 121.8 Ų | 121.8 | 39% | 0.392 | 61% | 0.606 | S | S | . | * | trans | 73.3 | 179.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | N123 R128 | N123-G126 PolarHBondContact ND2-O 3.4Å; G126-R128 PolarHBondContact O-N 2.85Å; G126-R128 VanDerWaalsContact O-N 3.11Å | ||
| 127 | E | 65.6 | Low | 72.2 | Confident | 203 Ų | 203 | 128.3 Ų | 128.3 | 95% | 0.949 | 63% | 0.632 | S | S | * | * | trans | -64.9 | 111.9 | 179.8 | -65.4 | -177 | -179.3 | 0 | 0 | 110.6 | ||||
| 128 | R | 71.6 | Confident | 71.1 | Confident | 121 Ų | 121 | 136.9 Ų | 136.9 | 46% | 0.457 | 67% | 0.667 | S | S | . | * | P | Polyproline II helix | trans | -93.3 | 124.5 | 174.9 | -67.4 | 178.8 | 176.2 | -147.9 | -2 | 109.1 | Y118 L125 G126 | Y118-R128 HydrophobicContact CD1-CB 4.29Å; L125-R128 VanDerWaalsContact CD1-NH2 3.32Å; G126-R128 PolarHBondContact O-N 2.85Å; G126-R128 VanDerWaalsContact O-N 3.11Å |
| 129 | E | 67.9 | Low | 70.1 | Confident | 177 Ų | 177 | 139.8 Ų | 139.8 | 83% | 0.827 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 126.6 | 170.6 | -68.7 | -169.9 | 172.6 | 0 | 0 | 109.8 | ||
| 130 | P | 70.3 | Confident | 68.9 | Low | 96 Ų | 96 | 145.9 Ų | 145.9 | 62% | 0.623 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 142.3 | 177.8 | 24.3 | -32.1 | 0 | 0 | 0 | 109.7 | K132 | P130-K132 PolarHBondContact O-N 3.5Š|
| 131 | P | 73.6 | Confident | 67.1 | Low | 95 Ų | 95 | 155.3 Ų | 155.3 | 62% | 0.617 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 131.7 | 179.4 | 23.7 | -33.2 | 0 | 0 | 0 | 109.9 | K133 | P131-K133 PolarHBondContact O-N 2.79Å; P131-K133 VanDerWaalsContact O-N 3.12Å |
| 132 | K | 76.8 | Confident | 65.8 | Low | 194 Ų | 194 | 155.6 Ų | 155.6 | 84% | 0.843 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 123.3 | 175.8 | -69.3 | -178.8 | -179 | 175.9 | 0 | 108.4 | P130 K134 | P130-K132 PolarHBondContact O-N 3.5Å; K132-K134 PolarHBondContact O-N 2.92Å |
| 133 | K | 72 | Confident | 64.4 | Low | 203 Ų | 203 | 158.4 Ų | 158.4 | 88% | 0.883 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 117.9 | 175 | -76.3 | -179.5 | -179.6 | 172.6 | 0 | 107.5 | P131 E135 | P131-K133 PolarHBondContact O-N 2.79Å; P131-K133 VanDerWaalsContact O-N 3.12Å; K133-E135 PolarHBondContact O-N 2.87Å; K133-E135 VanDerWaalsContact O-N 3.08Å |
| 134 | K | 72.1 | Confident | 62.7 | Low | 200 Ų | 200 | 164.6 Ų | 164.6 | 87% | 0.87 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 122.2 | 172.9 | -69.5 | -174.6 | 179.7 | -178.9 | 0 | 107.4 | K132 K136 | K132-K134 PolarHBondContact O-N 2.92Å; K134-K136 PolarHBondContact O-N 2.86Å; K134-K136 VanDerWaalsContact O-N 3.07Å |
| 135 | E | 71.4 | Confident | 61.4 | Low | 181 Ų | 181 | 162.3 Ų | 162.3 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 121.9 | 173 | -69.5 | -169 | 130.5 | 0 | 0 | 107.3 | K133 K137 | K133-E135 PolarHBondContact O-N 2.87Å; K133-E135 VanDerWaalsContact O-N 3.08Å; E135-K137 VanDerWaalsContact C-N 3.29Å; E135-K137 PolarHBondContact O-N 2.85Å |
| 136 | K | 66.9 | Low | 60 | Low | 198 Ų | 198 | 165.9 Ų | 165.9 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | trans | -63.8 | 100.6 | 172 | -67.8 | -174.7 | 179.3 | -174.9 | 0 | 105.6 | K134 K138 | K134-K136 PolarHBondContact O-N 2.86Å; K134-K136 VanDerWaalsContact O-N 3.07Å; K136-K138 VanDerWaalsContact C-N 3.31Å; K136-K138 PolarHBondContact O-N 2.95Å | ||
| 137 | K | 62.3 | Low | 58.6 | Low | 200 Ų | 200 | 170.7 Ų | 170.7 | 87% | 0.87 | 80% | 0.796 | S | S | * | * | trans | -53 | 106 | 161.7 | -77.8 | -172.7 | 178.2 | -177.4 | 0 | 105.1 | E135 K139 | E135-K137 VanDerWaalsContact C-N 3.29Å; E135-K137 PolarHBondContact O-N 2.85Å; K137-K139 PolarHBondContact O-N 3.49Å | ||
| 138 | K | 53.5 | Low | 57 | Low | 197 Ų | 197 | 168.8 Ų | 168.8 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | trans | -57.6 | 107.8 | 170.1 | -75.3 | -179.9 | 177.8 | 177 | 0 | 104.4 | K136 K140 | K136-K138 VanDerWaalsContact C-N 3.31Å; K136-K138 PolarHBondContact O-N 2.95Å; K138-K140 VanDerWaalsContact C-N 3.33Å; K138-K140 PolarHBondContact O-N 3.33Å | ||
| 139 | K | 52.6 | Low | 55.3 | Low | 199 Ų | 199 | 169.3 Ų | 169.3 | 87% | 0.865 | 80% | 0.798 | S | S | * | * | trans | -54.3 | 110.7 | 159.8 | -77.8 | -172.6 | 175.4 | -174 | 0 | 103.9 | K137 R141 | K137-K139 PolarHBondContact O-N 3.49Å; K139-R141 PolarHBondContact O-N 3.39Å | ||
| 140 | K | 50.4 | Low | 53.7 | Low | 201 Ų | 201 | 168.5 Ų | 168.5 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 120.9 | 163.2 | -81.8 | -176.6 | 174.3 | -178.7 | 0 | 103.9 | K138 P142 | K138-K140 VanDerWaalsContact C-N 3.33Å; K138-K140 PolarHBondContact O-N 3.33Å; K140-P142 WeakPolarHBondContact O-CD 3.31Å; K140-P142 VanDerWaalsContact O-N 3.11Å |
| 141 | R | 41.7 | Very low | 51.9 | Low | 207 Ų | 207 | 170.2 Ų | 170.2 | 78% | 0.781 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 124 | 171.5 | -86.5 | 174.4 | 72.1 | -156.6 | 3.9 | 105 | K139 Q143 | K139-R141 PolarHBondContact O-N 3.39Å; R141-Q143 PolarHBondContact O-N 3.16Å; R141-Q143 VanDerWaalsContact O-N 3.16Å |
| 142 | P | 50.9 | Low | 50 | Low | 114 Ų | 114 | 173.9 Ų | 173.9 | 74% | 0.74 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -55 | 126.4 | 162.3 | 22.9 | -28.2 | 0 | 0 | 0 | 105.6 | K140 Q144 | K140-P142 WeakPolarHBondContact O-CD 3.31Å; K140-P142 VanDerWaalsContact O-N 3.11Å; P142-Q144 PolarHBondContact O-N 3.05Å |
| 143 | Q | 48.1 | Very low | 48.2 | Very low | 185 Ų | 185 | 172.4 Ų | 172.4 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 127.7 | 167.5 | -72.1 | 175.8 | 6.3 | 0 | 0 | 105.5 | R141 | R141-Q143 PolarHBondContact O-N 3.16Å; R141-Q143 VanDerWaalsContact O-N 3.16Å |
| 144 | Q | 37.6 | Very low | 46.2 | Very low | 157 Ų | 157 | 168.4 Ų | 168.4 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 130.1 | 177.3 | -75.8 | 176.3 | -31.3 | 0 | 0 | 107 | P142 E146 | P142-Q144 PolarHBondContact O-N 3.05Å; Q144-E146 PolarHBondContact O-N 2.9Å |
| 145 | P | 47.4 | Very low | 45.2 | Very low | 125 Ų | 125 | 168 Ų | 168 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 120.4 | 169 | 27.6 | -28.4 | 0 | 0 | 0 | 106.7 | H147 | P145-H147 PolarHBondContact O-N 2.54Š|
| 146 | E | 39.2 | Very low | 43.8 | Very low | 192 Ų | 192 | 168.6 Ų | 168.6 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 125.6 | 169.4 | -63.1 | -166.2 | -172.6 | 0 | 0 | 107.8 | Q144 | Q144-E146 PolarHBondContact O-N 2.9Š|
| 147 | H | 38.4 | Very low | 43 | Very low | 139 Ų | 139 | 168.6 Ų | 168.6 | 64% | 0.644 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 127.7 | 175.7 | 162.2 | 71.5 | 0 | 0 | 0 | 110.2 | P145 E149 | P145-H147 PolarHBondContact O-N 2.54Å; H147-E149 IonicContact CE1-OE2 4Å |
| 148 | I | 33 | Very low | 41.9 | Very low | 164 Ų | 164 | 162.7 Ų | 162.7 | 84% | 0.841 | 80% | 0.804 | S | S | * | * | trans | -133 | 118.8 | 144 | -73.9 | 135.5 | 0 | 0 | 0 | 105.9 | ||||
| 149 | E | 34.7 | Very low | 41.3 | Very low | 132 Ų | 132 | 162.9 Ų | 162.9 | 62% | 0.617 | 81% | 0.808 | S | S | * | * | trans | -89.1 | 152.7 | 164.7 | -98.7 | -179.6 | -169.4 | 0 | 0 | 109.6 | H147 | H147-E149 IonicContact CE1-OE2 4Š| ||
| 150 | E | 35.3 | Very low | 40.8 | Very low | 159 Ų | 159 | 160.4 Ų | 160.4 | 74% | 0.743 | 80% | 0.804 | S | S | * | * | trans | 72.8 | 137.1 | 159.3 | -62.2 | 168.9 | -165.4 | 0 | 0 | 116.8 | ||||
| 151 | D | 31.2 | Very low | 40.6 | Very low | 133 Ų | 133 | 156.8 Ų | 156.8 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | cis | -177.5 | 150.8 | -15.1 | -116.3 | -51.7 | 0 | 0 | 0 | 104.8 | ||||
| 152 | E | 34.5 | Very low | 41.2 | Very low | 172 Ų | 172 | 150.6 Ų | 150.6 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | 52.3 | 149.5 | 154.9 | -67.7 | -163 | 150 | 0 | 0 | 120.1 | ||||
| 153 | E | 38.2 | Very low | 41.3 | Very low | 162 Ų | 162 | 152 Ų | 152 | 76% | 0.757 | 80% | 0.795 | S | S | * | * | cis | -173.6 | 123.1 | -10.3 | 173 | 179.1 | -150 | 0 | 0 | 101.6 | ||||
| 154 | S | 31.6 | Very low | 41.7 | Very low | 120 Ų | 120 | 151 Ų | 151 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | trans | -164.1 | 112.3 | 156 | 44.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 155 | E | 50.7 | Low | 43.5 | Very low | 190 Ų | 190 | 146.1 Ų | 146.1 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | trans | -70.5 | 119.7 | 166 | -57.2 | -176.7 | 146.3 | 0 | 0 | 108.5 | ||||
| 156 | E | 42.5 | Very low | 44.7 | Very low | 195 Ų | 195 | 147 Ų | 147 | 91% | 0.911 | 78% | 0.775 | S | S | * | * | trans | -155.3 | 127.9 | 151.7 | -154.6 | 158 | -179.9 | 0 | 0 | 111.1 | ||||
| 157 | E | 49.4 | Very low | 46.2 | Very low | 198 Ų | 198 | 141.5 Ų | 141.5 | 93% | 0.925 | 76% | 0.758 | S | S | * | * | trans | -63.9 | 144.1 | -177.4 | -60.6 | -176.1 | 139.8 | 0 | 0 | 112.8 | ||||
| 158 | G | 38.2 | Very low | 48.1 | Very low | 75 Ų | 75 | 140.7 Ų | 140.7 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | trans | 146.9 | 80 | 163.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | D160 | G158-D160 PolarHBondContact O-N 3.38Š| ||
| 159 | E | 40.9 | Very low | 50.1 | Low | 201 Ų | 201 | 135.1 Ų | 135.1 | 94% | 0.939 | 73% | 0.734 | S | S | * | * | trans | -67.5 | 112 | 166.5 | -68.4 | 176.6 | 163.9 | 0 | 0 | 110 | ||||
| 160 | D | 42.7 | Very low | 52.5 | Low | 147 Ų | 147 | 133.1 Ų | 133.1 | 79% | 0.786 | 73% | 0.726 | S | S | * | * | trans | -115.9 | 105.7 | 161.5 | -148.5 | -10.6 | 0 | 0 | 0 | 108.3 | G158 A162 | G158-D160 PolarHBondContact O-N 3.38Å; D160-A162 PolarHBondContact O-N 3.11Å | ||
| 161 | P | 46.2 | Very low | 54.9 | Low | 125 Ų | 125 | 128.1 Ų | 128.1 | 81% | 0.812 | 71% | 0.712 | S | S | * | * | trans | -83.3 | 53.7 | -165.4 | 34.5 | -37.4 | 0 | 0 | 0 | 112.9 | ||||
| 162 | A | 55.1 | Low | 57.4 | Low | 77 Ų | 77 | 129.3 Ų | 129.3 | 64% | 0.636 | 71% | 0.711 | S | S | * | * | trans | -112.2 | 112.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | D160 | D160-A162 PolarHBondContact O-N 3.11Š| ||
| 163 | L | 53 | Low | 59.9 | Low | 144 Ų | 144 | 127.3 Ų | 127.3 | 75% | 0.754 | 70% | 0.702 | S | S | * | * | trans | 101.1 | 73.6 | 165.3 | -48.1 | 177.6 | 0 | 0 | 0 | 117.1 | ||||
| 164 | D | 56.3 | Low | 62.2 | Low | 165 Ų | 165 | 124.6 Ų | 124.6 | 88% | 0.882 | 69% | 0.689 | S | S | * | * | trans | -135.5 | 28.4 | 158.8 | -162.7 | 33.2 | 0 | 0 | 0 | 114.6 | ||||
| 165 | S | 75.1 | Confident | 64.9 | Low | 54 Ų | 54 | 121.5 Ų | 121.5 | 38% | 0.378 | 67% | 0.671 | S | S | . | * | trans | -143.5 | 124 | 165.1 | -163.6 | 0 | 0 | 0 | 0 | 111.3 | S167 Q168 A169 | S165-S167 WeakPolarHBondContact CB-OG 3.09Å; S165-S167 PolarHBondContact O-N 3.47Å; S165-S167 PolarHBondContact OG-OG 3.4Å; S165-Q168 WeakPolarHBondContact O-CB 3.17Å; S165-Q168 PolarHBondContact O-N 3.09Å; S165-A169 PolarHBondContact O-N 2.91Å | ||
| 166 | L | 71.6 | Confident | 66.7 | Low | 142 Ų | 142 | 117.1 Ų | 117.1 | 74% | 0.743 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -53.1 | -24.6 | 171.8 | -163.3 | 131 | 0 | 0 | 0 | 111.5 | I170 | L166-I170 HydrophobicContact CD2-CD1 3.62Å; L166-I170 HydrophobicContact CG-CD1 4.49Å; L166-I170 WeakPolarHBondContact O-CD1 3.11Å; L166-I170 WeakPolarHBondContact O-CG1 3.38Å; L166-I170 PolarHBondContact O-N 3.42Å |
| 167 | S | 70.9 | Confident | 68.9 | Low | 77 Ų | 77 | 112.6 Ų | 112.6 | 54% | 0.538 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -66.3 | -36.7 | 172.1 | 70 | 0 | 0 | 0 | 0 | 114 | S165 A171 | S165-S167 WeakPolarHBondContact CB-OG 3.09Å; S165-S167 PolarHBondContact O-N 3.47Å; S165-S167 PolarHBondContact OG-OG 3.4Å; S167-A171 WeakPolarHBondContact O-CB 3.33Å; S167-A171 PolarHBondContact O-N 2.89Å |
| 168 | Q | 79.5 | Confident | 70.8 | Confident | 122 Ų | 122 | 108.4 Ų | 108.4 | 57% | 0.57 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -76.1 | -37.8 | 178.9 | -104.6 | 158.7 | -10 | 0 | 0 | 112.2 | S165 I170 A171 F172 | S165-Q168 WeakPolarHBondContact O-CB 3.17Å; S165-Q168 PolarHBondContact O-N 3.09Å; Q168-I170 VanDerWaalsContact C-N 3.33Å; Q168-I170 PolarHBondContact O-N 3.17Å; Q168-A171 PolarHBondContact O-N 2.84Å; Q168-F172 WeakPolarHBondContact O-CB 3.47Å; Q168-F172 PolarHBondContact O-N 2.84Å |
| 169 | A | 75.2 | Confident | 73.1 | Confident | 48 Ų | 48 | 110 Ų | 110 | 40% | 0.397 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -62.8 | -41.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S165 F172 Q173 | S165-A169 PolarHBondContact O-N 2.91Å; A169-F172 PolarHBondContact O-N 2.89Å; A169-Q173 WeakPolarHBondContact O-CB 3.25Å; A169-Q173 PolarHBondContact O-N 3.31Å |
| 170 | I | 84.3 | Confident | 75.2 | Confident | 89 Ų | 89 | 106.1 Ų | 106.1 | 46% | 0.456 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63.3 | -45.4 | 174.5 | -68.6 | 166.9 | 0 | 0 | 0 | 110.6 | L166 Q168 F172 Q173 Q174 | L166-I170 HydrophobicContact CD2-CD1 3.62Å; L166-I170 HydrophobicContact CG-CD1 4.49Å; L166-I170 WeakPolarHBondContact O-CD1 3.11Å; L166-I170 WeakPolarHBondContact O-CG1 3.38Å; L166-I170 PolarHBondContact O-N 3.42Å; Q168-I170 VanDerWaalsContact C-N 3.33Å; Q168-I170 PolarHBondContact O-N 3.17Å; I170-F172 PolarHBondContact O-N 3.31Å; I170-Q173 PolarHBondContact O-N 3.47Å; I170-Q174 WeakPolarHBondContact O-CB 3.24Å; I170-Q174 PolarHBondContact O-N 3.22Å |
| 171 | A | 85.1 | Confident | 77.2 | Confident | 55 Ų | 55 | 105 Ų | 105 | 46% | 0.455 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -61.9 | -41.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S167 Q168 Q174 A175 | S167-A171 WeakPolarHBondContact O-CB 3.33Å; S167-A171 PolarHBondContact O-N 2.89Å; Q168-A171 PolarHBondContact O-N 2.84Å; A171-Q174 PolarHBondContact O-N 3.06Å; A171-A175 WeakPolarHBondContact O-CB 3.39Å; A171-A175 PolarHBondContact O-N 3.1Å |
| 172 | F | 85.1 | Confident | 79 | Confident | 157 Ų | 157 | 105.7 Ų | 105.7 | 69% | 0.689 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.8 | -45 | 177.1 | -175.2 | -97.7 | 0 | 0 | 0 | 112 | Q168 A169 I170 Q174 A175 H176 | Q168-F172 WeakPolarHBondContact O-CB 3.47Å; Q168-F172 PolarHBondContact O-N 2.84Å; A169-F172 PolarHBondContact O-N 2.89Å; I170-F172 PolarHBondContact O-N 3.31Å; F172-Q174 VanDerWaalsContact C-N 3.29Å; F172-Q174 PolarHBondContact O-N 3.45Å; F172-A175 PolarHBondContact O-N 2.81Å; F172-H176 PolarHBondContact O-N 3.08Å |
| 173 | Q | 86.9 | Confident | 80.2 | Confident | 130 Ų | 130 | 107.9 Ų | 107.9 | 61% | 0.607 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.6 | -36.9 | 178 | -166.2 | 174.4 | 5.3 | 0 | 0 | 111.7 | A169 I170 M177 | A169-Q173 WeakPolarHBondContact O-CB 3.25Å; A169-Q173 PolarHBondContact O-N 3.31Å; I170-Q173 PolarHBondContact O-N 3.47Å; Q173-M177 HydrophobicContact CG-CE 4.46Å; Q173-M177 WeakPolarHBondContact O-CG 3.36Å; Q173-M177 PolarHBondContact O-N 3.07Å |
| 174 | Q | 86.8 | Confident | 81.4 | Confident | 106 Ų | 106 | 108.6 Ų | 108.6 | 50% | 0.495 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -70.7 | -40.4 | 178.2 | -156.5 | 167.9 | 11.1 | 0 | 0 | 112.2 | I170 A171 F172 M177 E178 | I170-Q174 WeakPolarHBondContact O-CB 3.24Å; I170-Q174 PolarHBondContact O-N 3.22Å; A171-Q174 PolarHBondContact O-N 3.06Å; F172-Q174 VanDerWaalsContact C-N 3.29Å; F172-Q174 PolarHBondContact O-N 3.45Å; Q174-M177 PolarHBondContact O-N 3.06Å; Q174-E178 WeakPolarHBondContact O-CG 3.25Å; Q174-E178 PolarHBondContact O-N 3.22Å |
| 175 | A | 86.5 | Confident | 82.3 | Confident | 55 Ų | 55 | 107.4 Ų | 107.4 | 46% | 0.455 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A171 F172 E178 E179 | A171-A175 WeakPolarHBondContact O-CB 3.39Å; A171-A175 PolarHBondContact O-N 3.1Å; F172-A175 PolarHBondContact O-N 2.81Å; A175-E178 PolarHBondContact O-N 2.96Å; A175-E179 PolarHBondContact O-N 3.46Å |
| 176 | H | 90.4 | Very high | 82.3 | Confident | 97 Ų | 97 | 112.2 Ų | 112.2 | 45% | 0.449 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.9 | -42.5 | 177.2 | -167.4 | -77.5 | 0 | 0 | 0 | 111.9 | F172 E178 E179 E180 | F172-H176 PolarHBondContact O-N 3.08Å; H176-E178 PolarHBondContact O-N 3.24Å; H176-E179 PolarHBondContact O-N 3.08Å; H176-E180 IonicContact CE1-OE1 3.46Å; H176-E180 PolarHBondContact CE1-OE1 2.82Å; H176-E180 IonicContact ND1-OE1 3.77Å; H176-E180 PolarHBondContact O-N 2.86Å |
| 177 | M | 87.6 | Confident | 82.1 | Confident | 101 Ų | 101 | 111.2 Ų | 111.2 | 50% | 0.498 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.9 | -41 | 175.8 | -72.3 | -173.8 | -64.3 | 0 | 0 | 112.1 | Q173 Q174 E180 E181 | Q173-M177 HydrophobicContact CG-CE 4.46Å; Q173-M177 WeakPolarHBondContact O-CG 3.36Å; Q173-M177 PolarHBondContact O-N 3.07Å; Q174-M177 PolarHBondContact O-N 3.06Å; M177-E180 PolarHBondContact O-N 2.83Å; M177-E181 PolarHBondContact O-N 3.01Å |
| 178 | E | 88.9 | Confident | 81.8 | Confident | 109 Ų | 109 | 110.3 Ų | 110.3 | 51% | 0.509 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.8 | -35.9 | 177.9 | -74.5 | -178.3 | -175.7 | 0 | 0 | 112.9 | Q174 A175 H176 E181 K182 | Q174-E178 WeakPolarHBondContact O-CG 3.25Å; Q174-E178 PolarHBondContact O-N 3.22Å; A175-E178 PolarHBondContact O-N 2.96Å; H176-E178 PolarHBondContact O-N 3.24Å; E178-E181 PolarHBondContact O-N 3.18Å; E178-K182 WeakPolarHBondContact O-CB 3.3Å; E178-K182 PolarHBondContact O-N 3.12Å |
| 179 | E | 88.2 | Confident | 81.2 | Confident | 110 Ų | 110 | 111.2 Ų | 111.2 | 51% | 0.514 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69.9 | -39.5 | 176.5 | -158.5 | -171.6 | 147.4 | 0 | 0 | 111.6 | A175 H176 K182 K183 | A175-E179 PolarHBondContact O-N 3.46Å; H176-E179 PolarHBondContact O-N 3.08Å; E179-K182 PolarHBondContact O-N 3.47Å; E179-K183 PolarHBondContact O-N 3.02Å; E179-K183 IonicContact OE1-NZ 3.2Å; E179-K183 PolarHBondContact OE1-NZ 3.04Å |
| 180 | E | 84.3 | Confident | 80.5 | Confident | 119 Ų | 119 | 114 Ų | 114 | 56% | 0.556 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.8 | -42.6 | 172.3 | -77.8 | -168.4 | 151.8 | 0 | 0 | 112.1 | H176 M177 K182 K183 K184 | H176-E180 IonicContact CE1-OE1 3.46Å; H176-E180 PolarHBondContact CE1-OE1 2.82Å; H176-E180 IonicContact ND1-OE1 3.77Å; H176-E180 PolarHBondContact O-N 2.86Å; M177-E180 PolarHBondContact O-N 2.83Å; E180-K182 VanDerWaalsContact C-N 3.34Å; E180-K182 PolarHBondContact O-N 3.42Å; E180-K183 PolarHBondContact O-N 2.96Å; E180-K184 VanDerWaalsContact O-CB 3.29Å; E180-K184 WeakPolarHBondContact O-CB 3.39Å; E180-K184 PolarHBondContact O-N 3.13Å |
| 181 | E | 85.3 | Confident | 79.2 | Confident | 122 Ų | 122 | 115.2 Ų | 115.2 | 57% | 0.57 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -62.8 | -40 | 174.2 | -81.7 | -159.5 | 154.9 | 0 | 0 | 112.2 | M177 E178 K184 K185 | M177-E181 PolarHBondContact O-N 3.01Å; E178-E181 PolarHBondContact O-N 3.18Å; E181-K184 PolarHBondContact O-N 3.16Å; E181-K185 WeakPolarHBondContact O-CB 3.34Å; E181-K185 WeakPolarHBondContact O-CG 3.42Å; E181-K185 PolarHBondContact O-N 3.38Å |
| 182 | K | 83.1 | Confident | 77.7 | Confident | 141 Ų | 141 | 118 Ų | 118 | 61% | 0.613 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.9 | -43.7 | 174.8 | -85 | 178.1 | 178.6 | 170.2 | 0 | 111.8 | E178 E179 E180 K184 K185 R186 | E178-K182 WeakPolarHBondContact O-CB 3.3Å; E178-K182 PolarHBondContact O-N 3.12Å; E179-K182 PolarHBondContact O-N 3.47Å; E180-K182 VanDerWaalsContact C-N 3.34Å; E180-K182 PolarHBondContact O-N 3.42Å; K182-K184 VanDerWaalsContact C-N 3.33Å; K182-K184 PolarHBondContact O-N 3.01Å; K182-K185 PolarHBondContact O-N 3.25Å; K182-R186 WeakPolarHBondContact O-CG 3.47Å; K182-R186 PolarHBondContact O-N 2.85Å |
| 183 | K | 80.5 | Confident | 76.2 | Confident | 122 Ų | 122 | 113.4 Ų | 113.4 | 53% | 0.53 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -60.6 | -44.2 | 174.6 | -81.4 | 177.1 | -178.3 | 161.9 | 0 | 110.9 | E179 E180 K185 R186 Q187 | E179-K183 PolarHBondContact O-N 3.02Å; E179-K183 IonicContact OE1-NZ 3.2Å; E179-K183 PolarHBondContact OE1-NZ 3.04Å; E180-K183 PolarHBondContact O-N 2.96Å; K183-K185 PolarHBondContact O-N 2.84Å; K183-R186 PolarHBondContact O-N 3.11Å; K183-Q187 WeakPolarHBondContact O-CB 3.42Å; K183-Q187 PolarHBondContact O-N 3.43Å |
| 184 | K | 77.1 | Confident | 74.5 | Confident | 160 Ų | 160 | 114.2 Ų | 114.2 | 70% | 0.696 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.1 | -37.5 | 178.8 | -161.2 | 172.6 | -175.2 | 178.1 | 0 | 112.7 | E180 E181 K182 A188 | E180-K184 VanDerWaalsContact O-CB 3.29Å; E180-K184 WeakPolarHBondContact O-CB 3.39Å; E180-K184 PolarHBondContact O-N 3.13Å; E181-K184 PolarHBondContact O-N 3.16Å; K182-K184 VanDerWaalsContact C-N 3.33Å; K182-K184 PolarHBondContact O-N 3.01Å; K184-A188 WeakPolarHBondContact O-CB 3.44Å; K184-A188 PolarHBondContact O-N 3.48Å |
| 185 | K | 75.5 | Confident | 72.6 | Confident | 139 Ų | 139 | 112.7 Ų | 112.7 | 60% | 0.604 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66.1 | -43.8 | 173 | -79.3 | 176.9 | 179.8 | 170.6 | 0 | 112.2 | E181 K182 K183 A188 E189 | E181-K185 WeakPolarHBondContact O-CB 3.34Å; E181-K185 WeakPolarHBondContact O-CG 3.42Å; E181-K185 PolarHBondContact O-N 3.38Å; K182-K185 PolarHBondContact O-N 3.25Å; K183-K185 PolarHBondContact O-N 2.84Å; K185-A188 PolarHBondContact O-N 3.19Å; K185-E189 PolarHBondContact O-N 3.3Å |
| 186 | R | 74.8 | Confident | 70.7 | Confident | 156 Ų | 156 | 114.6 Ų | 114.6 | 59% | 0.589 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.9 | -42.4 | 175.9 | -73.2 | -179.9 | 65.2 | -151.4 | -6.8 | 112.1 | K182 K183 A188 E189 E190 | K182-R186 WeakPolarHBondContact O-CG 3.47Å; K182-R186 PolarHBondContact O-N 2.85Å; K183-R186 PolarHBondContact O-N 3.11Å; R186-A188 VanDerWaalsContact C-N 3.35Å; R186-E189 PolarHBondContact O-N 2.89Å; R186-E190 WeakPolarHBondContact O-CG 3.4Å; R186-E190 PolarHBondContact O-N 2.78Å |
| 187 | Q | 68.3 | Low | 68.7 | Low | 121 Ų | 121 | 115.4 Ų | 115.4 | 57% | 0.565 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -65.3 | -39.1 | 177.2 | -156.5 | 168.4 | 22.1 | 0 | 0 | 111.4 | K183 E189 E190 D191 | K183-Q187 WeakPolarHBondContact O-CB 3.42Å; K183-Q187 PolarHBondContact O-N 3.43Å; Q187-E189 PolarHBondContact O-N 3.19Å; Q187-E190 PolarHBondContact O-N 2.92Å; Q187-D191 PolarHBondContact O-N 3.44Å |
| 188 | A | 65.3 | Low | 66.4 | Low | 57 Ų | 57 | 115.8 Ų | 115.8 | 47% | 0.471 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -67.6 | -30.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | K184 K185 R186 N192 | K184-A188 WeakPolarHBondContact O-CB 3.44Å; K184-A188 PolarHBondContact O-N 3.48Å; K185-A188 PolarHBondContact O-N 3.19Å; R186-A188 VanDerWaalsContact C-N 3.35Å; A188-N192 WeakPolarHBondContact O-CB 3.15Å; A188-N192 PolarHBondContact O-N 3.13Å |
| 189 | E | 66.5 | Low | 64.2 | Low | 141 Ų | 141 | 116.1 Ų | 116.1 | 66% | 0.659 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -71.9 | -38.9 | 172.4 | -108.7 | 176.1 | 157.9 | 0 | 0 | 112.1 | K185 R186 Q187 N192 A193 | K185-E189 PolarHBondContact O-N 3.3Å; R186-E189 PolarHBondContact O-N 2.89Å; Q187-E189 PolarHBondContact O-N 3.19Å; E189-N192 PolarHBondContact O-N 3.48Å; E189-A193 WeakPolarHBondContact O-CB 3.21Å; E189-A193 PolarHBondContact O-N 3.25Å |
| 190 | E | 59.9 | Low | 61.9 | Low | 108 Ų | 108 | 117.6 Ų | 117.6 | 51% | 0.505 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -66 | -41.1 | 175.2 | -74.5 | 173.6 | 175.2 | 0 | 0 | 111.6 | R186 Q187 N192 A193 H194 | R186-E190 WeakPolarHBondContact O-CG 3.4Å; R186-E190 PolarHBondContact O-N 2.78Å; Q187-E190 PolarHBondContact O-N 2.92Å; E190-N192 VanDerWaalsContact C-N 3.3Å; E190-N192 PolarHBondContact O-N 3.36Å; E190-A193 PolarHBondContact O-N 3.47Å; E190-H194 PolarHBondContact O-CD2 3.28Å; E190-H194 PolarHBondContact O-N 2.94Å; E190-H194 VanDerWaalsContact O-N 3.07Å |
| 191 | D | 57.3 | Low | 60.3 | Low | 114 Ų | 114 | 115.9 Ų | 115.9 | 61% | 0.61 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -65.7 | -30.8 | 173.8 | -72.1 | -30.9 | 0 | 0 | 0 | 112.4 | Q187 A195 | Q187-D191 PolarHBondContact O-N 3.44Å; D191-A195 PolarHBondContact O-N 2.63Å |
| 192 | N | 54.6 | Low | 58.4 | Low | 112 Ų | 112 | 119.5 Ų | 119.5 | 60% | 0.599 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -78.9 | -34.6 | 176.7 | -151 | -72.6 | 0 | 0 | 0 | 112.6 | A188 E189 E190 A195 S196 | A188-N192 WeakPolarHBondContact O-CB 3.15Å; A188-N192 PolarHBondContact O-N 3.13Å; E189-N192 PolarHBondContact O-N 3.48Å; E190-N192 VanDerWaalsContact C-N 3.3Å; E190-N192 PolarHBondContact O-N 3.36Å; N192-A195 PolarHBondContact O-N 3.47Å; N192-S196 PolarHBondContact O-OG 3.16Å |
| 193 | A | 52.5 | Low | 57.1 | Low | 61 Ų | 61 | 122.9 Ų | 122.9 | 50% | 0.504 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -67.2 | -35.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E189 E190 A195 S196 | E189-A193 WeakPolarHBondContact O-CB 3.21Å; E189-A193 PolarHBondContact O-N 3.25Å; E190-A193 PolarHBondContact O-N 3.47Å; A193-A195 VanDerWaalsContact C-N 3.3Å; A193-A195 PolarHBondContact O-N 3.41Å; A193-S196 PolarHBondContact O-N 3.28Å |
| 194 | H | 51.4 | Low | 55.6 | Low | 147 Ų | 147 | 123.2 Ų | 123.2 | 68% | 0.681 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -70.7 | -20.1 | 174 | -85.8 | -65.9 | 0 | 0 | 0 | 114.2 | E190 S196 | E190-H194 PolarHBondContact O-CD2 3.28Å; E190-H194 PolarHBondContact O-N 2.94Å; E190-H194 VanDerWaalsContact O-N 3.07Å; H194-S196 VanDerWaalsContact C-N 3.33Å |
| 195 | A | 46.9 | Very low | 54.4 | Low | 75 Ų | 75 | 126 Ų | 126 | 62% | 0.62 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -11.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D191 N192 A193 | D191-A195 PolarHBondContact O-N 2.63Å; N192-A195 PolarHBondContact O-N 3.47Å; A193-A195 VanDerWaalsContact C-N 3.3Å; A193-A195 PolarHBondContact O-N 3.41Å |
| 196 | S | 47.3 | Very low | 53.2 | Low | 94 Ų | 94 | 124.9 Ų | 124.9 | 66% | 0.657 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.9 | 8.5 | -174.1 | -58.5 | 0 | 0 | 0 | 0 | 114.6 | N192 A193 H194 | N192-S196 PolarHBondContact O-OG 3.16Å; A193-S196 PolarHBondContact O-N 3.28Å; H194-S196 VanDerWaalsContact C-N 3.33Å |
| 197 | T | 46.9 | Very low | 52 | Low | 115 Ų | 115 | 126.2 Ų | 126.2 | 71% | 0.706 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -121.8 | 55.7 | 174.5 | 57.1 | 0 | 0 | 0 | 0 | 112.4 | ||
| 198 | S | 39.6 | Very low | 51.5 | Low | 108 Ų | 108 | 130.6 Ų | 130.6 | 76% | 0.755 | 70% | 0.699 | S | S | * | * | trans | -154 | 82.8 | 160 | 57 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 199 | S | 42.1 | Very low | 50.6 | Low | 117 Ų | 117 | 133.3 Ų | 133.3 | 82% | 0.818 | 71% | 0.714 | S | S | * | * | trans | -105.3 | 98.3 | 149.7 | 59.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 200 | D | 40.8 | Very low | 50.1 | Low | 141 Ų | 141 | 131 Ų | 131 | 75% | 0.754 | 72% | 0.72 | S | S | * | * | -179 | 124.4 | 115.3 | -136.5 | -101.1 | 0 | 0 | 0 | 112.8 | |||||
| 201 | S | 51.5 | Low | 49.6 | Very low | 83 Ų | 83 | 136 Ų | 136 | 58% | 0.58 | 74% | 0.735 | S | S | * | * | trans | 47.5 | 110.7 | 145.2 | 66.1 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 202 | K | 44.5 | Very low | 48.7 | Very low | 198 Ų | 198 | 139.4 Ų | 139.4 | 86% | 0.861 | 75% | 0.745 | S | S | * | * | 168.3 | 126.8 | 101.7 | -89.4 | 158.3 | -175.1 | 170.2 | 0 | 111 | |||||
| 203 | K | 55.4 | Low | 48.2 | Very low | 211 Ų | 211 | 137.7 Ų | 137.7 | 92% | 0.917 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 132.9 | 175.9 | -72.5 | 169.2 | 174.4 | 174.6 | 0 | 111.6 | ||
| 204 | P | 48.5 | Very low | 47.8 | Very low | 130 Ų | 130 | 141.9 Ų | 141.9 | 84% | 0.844 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 137.8 | 151.5 | 30.7 | -22.3 | 0 | 0 | 0 | 111.1 | ||
| 205 | R | 53.9 | Low | 48 | Very low | 217 Ų | 217 | 142.4 Ų | 142.4 | 82% | 0.819 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 135.4 | -177.2 | -106.3 | 169.6 | 62.2 | 157 | -0.2 | 110.2 | ||
| 206 | I | 48.6 | Very low | 48.2 | Very low | 116 Ų | 116 | 145.9 Ų | 145.9 | 60% | 0.595 | 76% | 0.762 | S | S | * | * | trans | 73.2 | 136.2 | 141 | -56.4 | 166.9 | 0 | 0 | 0 | 114.3 | ||||
| 207 | K | 49.7 | Very low | 48.5 | Very low | 184 Ų | 184 | 148.1 Ų | 148.1 | 80% | 0.8 | 76% | 0.762 | S | S | * | * | -168.3 | 148.1 | 50.9 | -139.8 | 154.7 | -107.9 | -174.7 | 0 | 108.8 | S209 | K207-S209 PolarHBondContact O-N 2.95Š| |||
| 208 | K | 59.4 | Low | 48.6 | Very low | 214 Ų | 214 | 149 Ų | 149 | 93% | 0.93 | 76% | 0.762 | S | S | * | * | trans | -76.2 | 115.1 | 161.6 | -77.4 | 174.6 | 175.8 | 176 | 0 | 107.6 | ||||
| 209 | S | 46 | Very low | 49.1 | Very low | 113 Ų | 113 | 148.3 Ų | 148.3 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | trans | -117.6 | 133.9 | 161.3 | 53.6 | 0 | 0 | 0 | 0 | 109.1 | K207 | K207-S209 PolarHBondContact O-N 2.95Š| ||
| 210 | A | 55.6 | Low | 49.6 | Very low | 93 Ų | 93 | 154 Ų | 154 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | trans | -67.4 | 157.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 211 | Y | 48.2 | Very low | 50 | Low | 212 Ų | 212 | 154.7 Ų | 154.7 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | trans | 104.1 | 120.1 | 137.7 | -147.9 | -110.2 | 0 | 0 | 0 | 116.7 | S213 | Y211-S213 WeakPolarHBondContact CE1-O 3.4Š| ||
| 212 | F | 39.6 | Very low | 50 | Low | 187 Ų | 187 | 158.5 Ų | 158.5 | 82% | 0.82 | 79% | 0.79 | S | S | * | * | trans | -105.8 | 127.6 | 173.3 | -172.5 | -92.6 | 0 | 0 | 0 | 105.2 | ||||
| 213 | S | 43.6 | Very low | 50.3 | Low | 76 Ų | 76 | 156.3 Ų | 156.3 | 53% | 0.531 | 79% | 0.786 | S | S | . | * | trans | 79.2 | 140.1 | 159.9 | -77.9 | 0 | 0 | 0 | 0 | 123.5 | Y211 | Y211-S213 WeakPolarHBondContact CE1-O 3.4Š| ||
| 214 | D | 45.2 | Very low | 50 | Low | 149 Ų | 149 | 153.1 Ų | 153.1 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | 76.4 | 124 | 176.8 | -75.1 | -11.3 | 0 | 0 | 0 | 117.4 | ||||
| 215 | E | 54.1 | Low | 50 | Low | 158 Ų | 158 | 154.5 Ų | 154.5 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | cis | -156.7 | 163 | 24.8 | -124.3 | 177.6 | 138.6 | 0 | 0 | 112.2 | ||||
| 216 | E | 52.2 | Low | 49.8 | Very low | 147 Ų | 147 | 150.3 Ų | 150.3 | 69% | 0.687 | 77% | 0.772 | S | S | * | * | trans | 65 | 141.4 | 154.8 | -65.9 | -169.9 | 153 | 0 | 0 | 120.5 | ||||
| 217 | E | 52.7 | Low | 49.9 | Very low | 141 Ų | 141 | 152.8 Ų | 152.8 | 66% | 0.659 | 78% | 0.784 | S | S | * | * | cis | -168.9 | 147.1 | 9.2 | -120.6 | 179.2 | 155.4 | 0 | 0 | 110.2 | ||||
| 218 | L | 49.8 | Very low | 49.9 | Very low | 134 Ų | 134 | 150.4 Ų | 150.4 | 70% | 0.702 | 78% | 0.783 | S | S | * | * | trans | 46.2 | 110.7 | 137.2 | -70.5 | 161.5 | 0 | 0 | 0 | 120 | ||||
| 219 | S | 49.4 | Very low | 49.1 | Very low | 94 Ų | 94 | 145.1 Ų | 145.1 | 66% | 0.657 | 77% | 0.771 | S | S | * | * | 73.6 | 119.2 | 81.9 | 76.6 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 220 | D | 52.9 | Low | 49.4 | Very low | 237 Ų | 237 | 148 Ų | 148 | 100% | 1.267 | 77% | 0.769 | S | S | * | * | -159.4 | 0 | 104.9 | -140.9 | -85.7 | 0 | 0 | 0 | 108.5 |
Retrieved 220 of 220 residues in 325.5 ms
(Link to these results)