| 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 | 40.5 | Very low | 71 | Confident | 219 Ų | 219 | 127.7 Ų | 127.7 | 100% | 1.079 | 64% | 0.639 | S | S | * | * | 0 | 103.7 | 0 | -173.4 | 169.9 | 63.9 | 0 | 0 | 105 | D3 | M1-D3 PolarHBondContact O-N 3.34Š| |||
| 2 | M | 49.6 | Very low | 72.8 | Confident | 173 Ų | 173 | 131.9 Ų | 131.9 | 85% | 0.852 | 64% | 0.641 | S | S | * | * | trans | -70.4 | 120.4 | 173.9 | -61.9 | -170.7 | -35.6 | 0 | 0 | 105.8 | V4 | M2-V4 PolarHBondContact O-N 3.04Š| ||
| 3 | D | 57.3 | Low | 74.3 | Confident | 143 Ų | 143 | 126.3 Ų | 126.3 | 77% | 0.765 | 62% | 0.62 | S | S | * | * | trans | -56.2 | 111.8 | 168.1 | -69.3 | -43.6 | 0 | 0 | 0 | 106.6 | M1 E5 | M1-D3 PolarHBondContact O-N 3.34Å; D3-E5 PolarHBondContact O-N 3Å | ||
| 4 | V | 65.3 | Low | 75.6 | Confident | 135 Ų | 135 | 122.1 Ų | 122.1 | 82% | 0.818 | 59% | 0.594 | S | S | * | * | trans | -67.3 | 108.2 | 176.4 | 179.2 | 0 | 0 | 0 | 0 | 105.6 | M2 | M2-V4 PolarHBondContact O-N 3.04Š| ||
| 5 | E | 67.3 | Low | 76.8 | Confident | 88 Ų | 88 | 114.3 Ų | 114.3 | 41% | 0.411 | 56% | 0.556 | S | S | . | * | trans | -57.5 | 137.5 | 175.2 | -70.7 | -172.4 | 148.9 | 0 | 0 | 108.9 | D3 A7 T42 | D3-E5 PolarHBondContact O-N 3Å; E5-A7 PolarHBondContact O-N 3.15Å; E5-T42 HydrophobicContact CB-CG2 4.49Å; E5-T42 WeakPolarHBondContact OE2-CB 3.19Å | ||
| 6 | P | 69.5 | Low | 77.9 | Confident | 83 Ų | 83 | 115 Ų | 115 | 54% | 0.539 | 55% | 0.552 | S | S | . | * | trans | -67.5 | 123.7 | -176.5 | 25.9 | -32.6 | 0 | 0 | 0 | 110.4 | W8 | P6-W8 PolarHBondContact O-N 3.25Å; P6-W8 VanDerWaalsContact O-N 3.15Å | ||
| 7 | A | 76.9 | Confident | 78.8 | Confident | 61 Ų | 61 | 109.5 Ų | 109.5 | 50% | 0.504 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -70.8 | -3.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | E5 E44 | E5-A7 PolarHBondContact O-N 3.15Å; A7-E44 HydrophobicContact CB-CB 4.33Å; A7-E44 HydrophobicContact CB-CG 4.31Å |
| 8 | W | 82.3 | Confident | 79.7 | Confident | 156 Ų | 156 | 107.8 Ų | 107.8 | 59% | 0.591 | 53% | 0.527 | S | S | * | . | trans | -142.8 | 152.8 | 174.1 | 61.2 | 75.9 | 0 | 0 | 0 | 111.1 | P6 Y10 | P6-W8 PolarHBondContact O-N 3.25Å; P6-W8 VanDerWaalsContact O-N 3.15Å; W8-Y10 AromaticContact CD1-CE2 3.96Å | ||
| 9 | V | 89.3 | Confident | 80.3 | Confident | 56 Ų | 56 | 104.7 Ų | 104.7 | 34% | 0.339 | 51% | 0.511 | S | S | . | . | trans | -131.3 | 137.2 | 177.5 | -67.1 | 0 | 0 | 0 | 0 | 110.7 | R11 V39 I45 | V9-R11 HydrophobicContact CG2-CG 4.48Å; V9-V39 HydrophobicContact CG2-CB 4.49Å; V9-V39 HydrophobicContact CG2-CG1 3.74Å; V9-V39 HydrophobicContact CG2-CG2 3.91Å; V9-I45 HydrophobicContact CG1-CD1 3.8Å; V9-I45 HydrophobicContact CG2-CD1 4.33Å | ||
| 10 | Y | 90.7 | Very high | 80.7 | Confident | 200 Ų | 200 | 108.2 Ų | 108.2 | 78% | 0.784 | 52% | 0.524 | S | S | * | . | trans | -86.5 | 129.9 | 169.5 | -69.3 | -83.4 | 0 | 0 | 0 | 109.9 | W8 | W8-Y10 AromaticContact CD1-CE2 3.96Š| ||
| 11 | R | 91.9 | Very high | 81.1 | Confident | 91 Ų | 91 | 107.6 Ų | 107.6 | 34% | 0.343 | 52% | 0.517 | S | S | . | . | trans | -139.3 | 141.2 | 174.7 | -68.6 | -66 | -176.8 | -83.1 | 0.4 | 109.8 | V9 L35 S37 P38 V39 | V9-R11 HydrophobicContact CG2-CG 4.48Å; R11-L35 HydrophobicContact CB-CB 4.35Å; R11-L35 HydrophobicContact CB-CD1 4.06Å; R11-L35 HydrophobicContact CB-CD2 3.99Å; R11-L35 HydrophobicContact CB-CG 4.35Å; R11-L35 HydrophobicContact CG-CD1 4.15Å; R11-S37 WeakPolarHBondContact CD-OG 3.46Å; R11-P38 PolarHBondContact NE-O 3.24Å; R11-V39 HydrophobicContact CG-CG2 3.95Å | ||
| 12 | R | 92.5 | Very high | 83.2 | Confident | 178 Ų | 178 | 100 Ų | 100 | 67% | 0.672 | 48% | 0.481 | S | S | * | . | trans | -76.3 | 146.9 | 170.4 | -69.1 | -166.4 | -66.7 | -100.8 | 2.4 | 109.8 | L35 T36 | R12-L35 WeakPolarHBondContact O-CA 3.38Å; R12-T36 HydrophobicContact CB-CG2 3.74Å; R12-T36 PolarHBondContact O-N 2.71Å; R12-T36 PolarHBondContact O-OG1 3.33Å | ||
| 13 | V | 92.5 | Very high | 84.8 | Confident | 59 Ų | 59 | 100.7 Ų | 100.7 | 36% | 0.358 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 117.1 | 170.8 | 178.2 | 0 | 0 | 0 | 0 | 108.3 | N15 L33 K34 S178 | V13-N15 VanDerWaalsContact CG1-O 3.24Å; V13-N15 WeakPolarHBondContact CG1-O 3.41Å; V13-L33 HydrophobicContact CG1-CB 4.34Å; V13-L33 HydrophobicContact CG1-CD2 4.2Å; V13-L33 HydrophobicContact CG2-CB 4.38Å; V13-L33 HydrophobicContact CG2-CD1 4.26Å; V13-K34 CarbonylContact C-O 3.54Å; V13-S178 VanDerWaalsContact O-CB 3.31Å; V13-S178 WeakPolarHBondContact O-CB 3.41Å |
| 14 | R | 92.9 | Very high | 86 | Confident | 68 Ų | 68 | 101 Ų | 101 | 26% | 0.257 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | -44.5 | 174.3 | -177.6 | 175.6 | 165.9 | -176.1 | -13.2 | 111.4 | K34 T36 E172 S174 D176 R177 S178 | R14-K34 WeakPolarHBondContact CA-O 3.34Å; R14-K34 HydrophobicContact CB-CG 4.37Å; R14-K34 WeakPolarHBondContact CB-O 3.46Å; R14-K34 PolarHBondContact N-O 3.33Å; R14-T36 HydrophobicContact CB-CG2 3.84Å; R14-E172 PolarHBondContact NH2-O 3.27Å; R14-S174 PolarHBondContact NH2-O 3.09Å; R14-D176 HydrophobicContact CG-CB 3.97Å; R14-D176 WeakPolarHBondContact CG-OD1 3.45Å; R14-R177 WeakPolarHBondContact O-CA 3.32Å; R14-R177 WeakPolarHBondContact O-CB 3.44Å; R14-R177 PolarHBondContact O-N 3.26Å; R14-S178 PolarHBondContact O-N 3.18Å |
| 15 | N | 94 | Very high | 86.9 | Confident | 5 Ų | 5 | 96.6 Ų | 96.6 | 3% | 0.027 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 164.8 | -177.5 | -151.2 | -28.5 | 0 | 0 | 0 | 109.8 | V13 K34 L171 S174 P175 R177 | V13-N15 VanDerWaalsContact CG1-O 3.24Å; V13-N15 WeakPolarHBondContact CG1-O 3.41Å; N15-K34 PolarHBondContact N-O 3.34Å; N15-K34 PolarHBondContact O-N 2.59Å; N15-L171 HydrophobicContact CB-CD2 3.89Å; N15-S174 VanDerWaalsContact ND2-CB 3.29Å; N15-S174 WeakPolarHBondContact ND2-CB 3.28Å; N15-P175 PolarHBondContact ND2-O 3.19Å; N15-P175 VanDerWaalsContact ND2-O 3.1Å; N15-R177 WeakPolarHBondContact OD1-CD 3.41Å |
| 16 | Y | 93.7 | Very high | 87.6 | Confident | 125 Ų | 125 | 94.9 Ų | 94.9 | 49% | 0.49 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 158.1 | 178.1 | 70 | -84.3 | 0 | 0 | 0 | 111.1 | T18 L32 | Y16-T18 HydrophobicContact CD2-CG2 4.32Å; Y16-T18 HydrophobicContact CE2-CG2 4.46Å; Y16-L32 CarbonylContact C-O 3.54Å; Y16-L32 WeakPolarHBondContact CA-O 3.5Å; Y16-L32 WeakPolarHBondContact CB-O 3.38Å |
| 17 | A | 94 | Very high | 88.3 | Confident | 21 Ų | 21 | 92.1 Ų | 92.1 | 17% | 0.174 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 143.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | A31 L32 T167 L171 | A17-A31 CarbonylContact O-C 3.57Å; A17-A31 VanDerWaalsContact O-CA 3.23Å; A17-A31 WeakPolarHBondContact O-CA 3.49Å; A17-L32 PolarHBondContact N-O 3.24Å; A17-L32 PolarHBondContact O-N 3.25Å; A17-T167 HydrophobicContact CB-CG2 3.25Å; A17-L171 HydrophobicContact CB-CD1 4.16Å; A17-L171 HydrophobicContact CB-CD2 4.16Å; A17-L171 HydrophobicContact CB-CG 4.37Å |
| 18 | T | 93.8 | Very high | 89 | Confident | 80 Ų | 80 | 90.9 Ų | 90.9 | 49% | 0.491 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 158.8 | 176.9 | 58.6 | 0 | 0 | 0 | 0 | 109.1 | Y16 A31 | Y16-T18 HydrophobicContact CD2-CG2 4.32Å; Y16-T18 HydrophobicContact CE2-CG2 4.46Å; T18-A31 HydrophobicContact CG2-CB 4.11Å |
| 19 | H | 91.2 | Very high | 89.5 | Confident | 48 Ų | 48 | 86.3 Ų | 86.3 | 22% | 0.222 | 40% | 0.395 | C | S | . | . | trans | -106.7 | 62.7 | 179.2 | -165.2 | 74.2 | 0 | 0 | 0 | 112.8 | Y21 N28 I30 Y160 W163 | H19-Y21 PolarHBondContact O-N 2.99Å; H19-N28 HydrophobicContact CB-CB 4.2Å; H19-N28 WeakPolarHBondContact O-CB 3.41Å; H19-N28 VanDerWaalsContact O-CG 3.28Å; H19-N28 PolarHBondContact O-ND2 3.06Å; H19-I30 HydrophobicContact CB-CG2 3.97Å; H19-Y160 HydrophobicContact CB-CE1 4.33Å; H19-Y160 AromaticContact CD2-CE1 3.58Å; H19-W163 HydrophobicContact CB-CD2 4.08Å; H19-W163 HydrophobicContact CB-CE3 4.44Å; H19-W163 HydrophobicContact CB-CH2 4.14Å; H19-W163 HydrophobicContact CB-CZ2 3.74Å; H19-W163 HydrophobicContact CB-CZ3 4.48Å; H19-W163 AromaticContact CE1-CD1 3.64Å; H19-W163 AromaticContact CE1-CG 3.89Å; H19-W163 AromaticContact CG-CE2 3.95Å; H19-W163 AromaticContact CG-NE1 3.96Å; H19-W163 AromaticContact ND1-CD1 3.05Å; H19-W163 AromaticContact ND1-CD2 3.62Å; H19-W163 AromaticContact ND1-CE2 3.52Å; H19-W163 AromaticContact ND1-CG 3.35Å; H19-W163 AromaticContact ND1-NE1 3.11Å; H19-W163 PolarHBondContact ND1-NE1 3.41Å; H19-W163 VanDerWaalsContact ND1-NE1 3.11Å | ||
| 20 | F | 89.1 | Confident | 89.7 | Confident | 174 Ų | 174 | 84.2 Ų | 84.2 | 76% | 0.763 | 38% | 0.382 | S | S | * | . | trans | 46.3 | 59.8 | 177.1 | -50 | -71.3 | 0 | 0 | 0 | 113.6 | N22 N28 | F20-N22 PolarHBondContact O-N 3.43Å; F20-N28 PolarHBondContact O-ND2 2.9Å | ||
| 21 | Y | 88.2 | Confident | 90 | Very high | 97 Ų | 97 | 77.2 Ų | 77.2 | 38% | 0.38 | 37% | 0.365 | S | S | . | . | trans | -54.2 | 132.8 | 178.5 | 171.5 | -103.5 | 0 | 0 | 0 | 111.1 | H19 Y23 D26 D27 D29 | H19-Y21 PolarHBondContact O-N 2.99Å; Y21-Y23 HydrophobicContact CE1-CD2 4.18Å; Y21-D26 HydrophobicContact CE2-CB 4.17Å; Y21-D26 PolarHBondContact OH-OD1 3.36Å; Y21-D27 CarbonylContact C-O 3.56Å; Y21-D27 VanDerWaalsContact CA-O 3.29Å; Y21-D27 WeakPolarHBondContact CA-O 3.17Å; Y21-D27 WeakPolarHBondContact CD2-O 3.31Å; Y21-D29 HydrophobicContact CD2-CB 3.94Å; Y21-D29 HydrophobicContact CE2-CB 3.87Å | ||
| 22 | N | 85.6 | Confident | 90.2 | Very high | 59 Ų | 59 | 74.4 Ų | 74.4 | 32% | 0.316 | 36% | 0.357 | S | S | . | . | B | Isolated β-bridge | trans | -106.9 | 112.1 | 177.3 | -178 | -1.3 | 0 | 0 | 0 | 109.8 | F20 D24 N25 D26 D27 | F20-N22 PolarHBondContact O-N 3.43Å; N22-D24 VanDerWaalsContact C-N 3.28Å; N22-D24 PolarHBondContact O-N 3.37Å; N22-D24 PolarHBondContact OD1-N 3.31Å; N22-N25 VanDerWaalsContact CB-OD1 3.28Å; N22-N25 WeakPolarHBondContact CB-OD1 3.23Å; N22-N25 PolarHBondContact ND2-OD1 3Å; N22-N25 VanDerWaalsContact ND2-OD1 3.14Å; N22-N25 PolarHBondContact O-OD1 2.99Å; N22-D26 WeakPolarHBondContact O-CA 3.44Å; N22-D26 PolarHBondContact O-N 3.46Å; N22-D27 HydrophobicContact CB-CB 3.93Å; N22-D27 PolarHBondContact N-O 3.46Å; N22-D27 PolarHBondContact O-N 3.22Å |
| 23 | Y | 82.8 | Confident | 90.3 | Very high | 188 Ų | 188 | 71.3 Ų | 71.3 | 74% | 0.737 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -28.2 | -178.7 | -174.4 | -91.9 | 0 | 0 | 0 | 113.4 | Y21 N25 | Y21-Y23 HydrophobicContact CE1-CD2 4.18Å; Y23-N25 VanDerWaalsContact C-N 3.26Å; Y23-N25 PolarHBondContact O-N 3.22Å |
| 24 | D | 82.9 | Confident | 90.5 | Very high | 150 Ų | 150 | 71.5 Ų | 71.5 | 80% | 0.802 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -22.8 | -174.2 | -64.5 | -29.5 | 0 | 0 | 0 | 112.3 | N22 | N22-D24 VanDerWaalsContact C-N 3.28Å; N22-D24 PolarHBondContact O-N 3.37Å; N22-D24 PolarHBondContact OD1-N 3.31Å |
| 25 | N | 83.1 | Confident | 90.6 | Very high | 41 Ų | 41 | 71.2 Ų | 71.2 | 22% | 0.219 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -140.4 | 12.8 | -174.3 | 72 | -3.3 | 0 | 0 | 0 | 114.4 | N22 Y23 D27 R98 | N22-N25 VanDerWaalsContact CB-OD1 3.28Å; N22-N25 WeakPolarHBondContact CB-OD1 3.23Å; N22-N25 PolarHBondContact ND2-OD1 3Å; N22-N25 VanDerWaalsContact ND2-OD1 3.14Å; N22-N25 PolarHBondContact O-OD1 2.99Å; Y23-N25 VanDerWaalsContact C-N 3.26Å; Y23-N25 PolarHBondContact O-N 3.22Å; N25-D27 PolarHBondContact ND2-OD2 3.24Å; N25-D27 PolarHBondContact O-N 2.61Å; N25-D27 WeakPolarHBondContact OD1-CB 3.29Å; N25-D27 PolarHBondContact OD1-N 2.76Å; N25-D27 PolarHBondContact OD1-OD2 2.84Å; N25-R98 PolarHBondContact O-NH2 2.8Å |
| 26 | D | 81.9 | Confident | 90.6 | Very high | 53 Ų | 53 | 73.1 Ų | 73.1 | 28% | 0.283 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.2 | 34.1 | -171.8 | -51.2 | -64 | 0 | 0 | 0 | 114.7 | Y21 N22 R98 | Y21-D26 HydrophobicContact CE2-CB 4.17Å; Y21-D26 PolarHBondContact OH-OD1 3.36Å; N22-D26 WeakPolarHBondContact O-CA 3.44Å; N22-D26 PolarHBondContact O-N 3.46Å; D26-R98 IonicContact OD2-CZ 2.8Å; D26-R98 IonicContact OD2-NH2 3.63Å; D26-R98 PolarHBondContact OD2-NH2 2.92Å |
| 27 | D | 86 | Confident | 90.6 | Very high | 24 Ų | 24 | 69.6 Ų | 69.6 | 13% | 0.128 | 36% | 0.358 | C | S | . | . | B | Isolated β-bridge | trans | -71.3 | 148.1 | 175.8 | -99.7 | -33.3 | 0 | 0 | 0 | 112.9 | Y21 N22 N25 D29 R101 | Y21-D27 CarbonylContact C-O 3.56Å; Y21-D27 VanDerWaalsContact CA-O 3.29Å; Y21-D27 WeakPolarHBondContact CA-O 3.17Å; Y21-D27 WeakPolarHBondContact CD2-O 3.31Å; N22-D27 HydrophobicContact CB-CB 3.93Å; N22-D27 PolarHBondContact N-O 3.46Å; N22-D27 PolarHBondContact O-N 3.22Å; N25-D27 PolarHBondContact ND2-OD2 3.24Å; N25-D27 PolarHBondContact O-N 2.61Å; N25-D27 WeakPolarHBondContact OD1-CB 3.29Å; N25-D27 PolarHBondContact OD1-N 2.76Å; N25-D27 PolarHBondContact OD1-OD2 2.84Å; D27-D29 PolarHBondContact O-N 3.11Å; D27-R101 WeakPolarHBondContact OD1-CD 3.31Å; D27-R101 IonicContact OD1-CZ 2.65Å; D27-R101 IonicContact OD1-NE 3.17Å; D27-R101 IonicContact OD1-NH1 3.63Å; D27-R101 PolarHBondContact OD1-NH1 3.36Å; D27-R101 WeakPolarHBondContact OD2-CD 3.32Å; D27-R101 IonicContact OD2-CZ 3.52Å; D27-R101 IonicContact OD2-NE 2.61Å; D27-R101 IonicContact OD2-NH1 3.48Å; D27-R101 PolarHBondContact OD2-NH1 2.78Å |
| 28 | N | 90.7 | Very high | 90.6 | Very high | 36 Ų | 36 | 73.8 Ų | 73.8 | 19% | 0.193 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 38.7 | 173.9 | -45.2 | -52.1 | 0 | 0 | 0 | 112.8 | H19 F20 I30 Y160 | H19-N28 HydrophobicContact CB-CB 4.2Å; H19-N28 WeakPolarHBondContact O-CB 3.41Å; H19-N28 VanDerWaalsContact O-CG 3.28Å; H19-N28 PolarHBondContact O-ND2 3.06Å; F20-N28 PolarHBondContact O-ND2 2.9Å; N28-I30 PolarHBondContact O-N 3.3Å; N28-Y160 WeakPolarHBondContact CA-OH 3.49Å; N28-Y160 HydrophobicContact CB-CE1 4.34Å; N28-Y160 WeakPolarHBondContact OD1-CE1 3.05Å; N28-Y160 PolarHBondContact OD1-OH 3.03Å |
| 29 | D | 93 | Very high | 90.5 | Very high | 59 Ų | 59 | 71.6 Ų | 71.6 | 32% | 0.316 | 37% | 0.37 | S | S | . | . | trans | -71.5 | 65.2 | 172.4 | -171.4 | 17.8 | 0 | 0 | 0 | 111.2 | Y21 D27 S138 V155 | Y21-D29 HydrophobicContact CD2-CB 3.94Å; Y21-D29 HydrophobicContact CE2-CB 3.87Å; D27-D29 PolarHBondContact O-N 3.11Å; D29-S138 WeakPolarHBondContact CB-OG 3.29Å; D29-S138 WeakPolarHBondContact OD2-CA 3.15Å; D29-S138 VanDerWaalsContact OD2-CB 3.24Å; D29-S138 WeakPolarHBondContact OD2-CB 3.2Å; D29-S138 PolarHBondContact OD2-OG 3.04Å; D29-V155 HydrophobicContact CB-CG2 4.04Å; D29-V155 VanDerWaalsContact O-CG2 3.27Å; D29-V155 WeakPolarHBondContact O-CG2 3.27Å | ||
| 30 | I | 94.5 | Very high | 90.6 | Very high | 12 Ų | 12 | 75.2 Ų | 75.2 | 6% | 0.062 | 39% | 0.391 | C | S | . | . | trans | -145.2 | 138.2 | -174.9 | -170.4 | 172.9 | 0 | 0 | 0 | 110.3 | H19 N28 V155 M157 Y160 W163 I164 | H19-I30 HydrophobicContact CB-CG2 3.97Å; N28-I30 PolarHBondContact O-N 3.3Å; I30-V155 HydrophobicContact CB-CG1 4.41Å; I30-M157 HydrophobicContact CD1-CE 4.29Å; I30-M157 HydrophobicContact CD1-SD 3.42Å; I30-M157 WeakPolarHBondContact CD1-SD 3.44Å; I30-Y160 HydrophobicContact CD1-CD2 4.45Å; I30-Y160 HydrophobicContact CD1-CG 4.19Å; I30-Y160 HydrophobicContact CG2-CD1 3.99Å; I30-Y160 HydrophobicContact CG2-CE1 3.91Å; I30-W163 HydrophobicContact CD1-CZ3 3.91Å; I30-W163 HydrophobicContact CG1-CZ3 4.04Å; I30-W163 HydrophobicContact CG2-CH2 4.27Å; I30-W163 HydrophobicContact CG2-CZ3 4.01Å; I30-I164 HydrophobicContact CD1-CD1 4.42Å | ||
| 31 | A | 95.4 | Very high | 90.7 | Very high | 53 Ų | 53 | 74.8 Ų | 74.8 | 44% | 0.438 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 146.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | A17 T18 | A17-A31 CarbonylContact O-C 3.57Å; A17-A31 VanDerWaalsContact O-CA 3.23Å; A17-A31 WeakPolarHBondContact O-CA 3.49Å; T18-A31 HydrophobicContact CG2-CB 4.11Å |
| 32 | L | 96.5 | Very high | 90.9 | Very high | 33 Ų | 33 | 71.9 Ų | 71.9 | 17% | 0.173 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 133.2 | 169.3 | -69.9 | 177.4 | 0 | 0 | 0 | 109.9 | Y16 A17 W163 I164 T167 L171 | Y16-L32 CarbonylContact C-O 3.54Å; Y16-L32 WeakPolarHBondContact CA-O 3.5Å; Y16-L32 WeakPolarHBondContact CB-O 3.38Å; A17-L32 PolarHBondContact N-O 3.24Å; A17-L32 PolarHBondContact O-N 3.25Å; L32-W163 HydrophobicContact CD1-CH2 4.12Å; L32-W163 HydrophobicContact CD1-CZ3 4.07Å; L32-W163 HydrophobicContact CG-CH2 3.87Å; L32-W163 HydrophobicContact CG-CZ3 3.95Å; L32-I164 HydrophobicContact CD1-CB 4.3Å; L32-I164 HydrophobicContact CD1-CG1 4.25Å; L32-I164 HydrophobicContact CD1-CG2 4.15Å; L32-I164 HydrophobicContact CD2-CG1 4.43Å; L32-I164 HydrophobicContact CD2-CG2 4.35Å; L32-T167 HydrophobicContact CD1-CG2 3.75Å; L32-L171 HydrophobicContact CB-CD1 3.98Å |
| 33 | L | 95.4 | Very high | 91.2 | Very high | 112 Ų | 112 | 77.6 Ų | 77.6 | 59% | 0.586 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 120.2 | 175.9 | -55.1 | -178.9 | 0 | 0 | 0 | 109.4 | V13 | V13-L33 HydrophobicContact CG1-CB 4.34Å; V13-L33 HydrophobicContact CG1-CD2 4.2Å; V13-L33 HydrophobicContact CG2-CB 4.38Å; V13-L33 HydrophobicContact CG2-CD1 4.26Å |
| 34 | K | 95.3 | Very high | 91.5 | Very high | 63 Ų | 63 | 73.2 Ų | 73.2 | 27% | 0.274 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 123 | 169.4 | -177.5 | 66.6 | 174.8 | -170.3 | 0 | 108.6 | V13 R14 N15 L171 E172 | V13-K34 CarbonylContact C-O 3.54Å; R14-K34 WeakPolarHBondContact CA-O 3.34Å; R14-K34 HydrophobicContact CB-CG 4.37Å; R14-K34 WeakPolarHBondContact CB-O 3.46Å; R14-K34 PolarHBondContact N-O 3.33Å; N15-K34 PolarHBondContact N-O 3.34Å; N15-K34 PolarHBondContact O-N 2.59Å; K34-L171 HydrophobicContact CB-CB 4.07Å; K34-L171 HydrophobicContact CB-CD1 4.36Å; K34-L171 HydrophobicContact CG-CB 4.47Å; K34-E172 IonicContact NZ-OE1 2.91Å |
| 35 | L | 95.4 | Very high | 92 | Very high | 63 Ų | 63 | 67.5 Ų | 67.5 | 33% | 0.33 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 152.7 | 176.7 | -54.6 | 179.3 | 0 | 0 | 0 | 111.4 | R11 R12 S37 V39 | R11-L35 HydrophobicContact CB-CB 4.35Å; R11-L35 HydrophobicContact CB-CD1 4.06Å; R11-L35 HydrophobicContact CB-CD2 3.99Å; R11-L35 HydrophobicContact CB-CG 4.35Å; R11-L35 HydrophobicContact CG-CD1 4.15Å; R12-L35 WeakPolarHBondContact O-CA 3.38Å; L35-S37 VanDerWaalsContact C-N 3.28Å; L35-S37 PolarHBondContact O-N 3.39Å; L35-V39 HydrophobicContact CD1-CG2 3.7Å |
| 36 | T | 94.2 | Very high | 92.4 | Very high | 44 Ų | 44 | 70.1 Ų | 70.1 | 27% | 0.27 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -67.9 | -26.9 | 176.9 | 53.5 | 0 | 0 | 0 | 0 | 113.6 | R12 R14 S178 | R12-T36 HydrophobicContact CB-CG2 3.74Å; R12-T36 PolarHBondContact O-N 2.71Å; R12-T36 PolarHBondContact O-OG1 3.33Å; R14-T36 HydrophobicContact CB-CG2 3.84Å; T36-S178 VanDerWaalsContact CG2-OG 3.29Å; T36-S178 WeakPolarHBondContact CG2-OG 3.34Å |
| 37 | S | 93.4 | Very high | 93.1 | Very high | 51 Ų | 51 | 71.5 Ų | 71.5 | 36% | 0.357 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -143.2 | 153.7 | 177.6 | 49.2 | 0 | 0 | 0 | 0 | 110.2 | R11 L35 | R11-S37 WeakPolarHBondContact CD-OG 3.46Å; L35-S37 VanDerWaalsContact C-N 3.28Å; L35-S37 PolarHBondContact O-N 3.39Å |
| 38 | P | 93.5 | Very high | 93.6 | Very high | 110 Ų | 110 | 74.3 Ų | 74.3 | 71% | 0.714 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 156.6 | 173.9 | -24.5 | 34.9 | 0 | 0 | 0 | 113.1 | R11 | R11-P38 PolarHBondContact NE-O 3.24Š|
| 39 | V | 92.7 | Very high | 93.9 | Very high | 34 Ų | 34 | 74.6 Ų | 74.6 | 21% | 0.206 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -100.8 | 126 | 167.9 | 175.7 | 0 | 0 | 0 | 0 | 107.3 | V9 R11 L35 I45 | V9-V39 HydrophobicContact CG2-CB 4.49Å; V9-V39 HydrophobicContact CG2-CG1 3.74Å; V9-V39 HydrophobicContact CG2-CG2 3.91Å; R11-V39 HydrophobicContact CG-CG2 3.95Å; L35-V39 HydrophobicContact CD1-CG2 3.7Å; V39-I45 HydrophobicContact CG1-CD1 4.42Å; V39-I45 HydrophobicContact CG1-CG2 3.62Å |
| 40 | N | 92.5 | Very high | 94.2 | Very high | 124 Ų | 124 | 74.2 Ų | 74.2 | 66% | 0.663 | 41% | 0.408 | S | S | * | . | P | Polyproline II helix | trans | -71.1 | 133.8 | 174.2 | -67 | -11.6 | 0 | 0 | 0 | 108.4 | ||
| 41 | Y | 92.4 | Very high | 94.3 | Very high | 165 Ų | 165 | 73.7 Ų | 73.7 | 65% | 0.647 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -74.6 | 139 | 175.9 | -56.9 | -21.3 | 0 | 0 | 0 | 109.8 | I45 P47 | Y41-I45 VanDerWaalsContact CA-O 3.23Å; Y41-I45 WeakPolarHBondContact CA-O 3.49Å; Y41-I45 WeakPolarHBondContact CB-O 3.24Å; Y41-P47 HydrophobicContact CE1-CG 4.3Å; Y41-P47 HydrophobicContact CE2-CG 3.93Å |
| 42 | T | 92.1 | Very high | 94.4 | Very high | 35 Ų | 35 | 72.9 Ų | 72.9 | 22% | 0.215 | 39% | 0.394 | C | S | . | . | trans | -130.3 | -175.7 | -179.9 | 67.4 | 0 | 0 | 0 | 0 | 108.7 | E5 E44 I45 | E5-T42 HydrophobicContact CB-CG2 4.49Å; E5-T42 WeakPolarHBondContact OE2-CB 3.19Å; T42-E44 PolarHBondContact O-N 2.89Å; T42-E44 PolarHBondContact OG1-N 3.03Å; T42-E44 PolarHBondContact OG1-OE2 3.25Å; T42-I45 PolarHBondContact N-O 2.84Å; T42-I45 WeakPolarHBondContact OG1-CB 3.48Å; T42-I45 WeakPolarHBondContact OG1-CG1 3.43Å; T42-I45 PolarHBondContact OG1-N 3.05Å | ||
| 43 | Q | 91.1 | Very high | 94.3 | Very high | 179 Ų | 179 | 75.4 Ų | 75.4 | 84% | 0.836 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -64.6 | -27.3 | 171.9 | -61.4 | -174.1 | 22.8 | 0 | 0 | 112.2 | ||
| 44 | E | 90.4 | Very high | 94.2 | Very high | 97 Ų | 97 | 77.7 Ų | 77.7 | 45% | 0.453 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -99.4 | -15.7 | -178.5 | -58 | 72.7 | -159.2 | 0 | 0 | 113.4 | A7 T42 | A7-E44 HydrophobicContact CB-CB 4.33Å; A7-E44 HydrophobicContact CB-CG 4.31Å; T42-E44 PolarHBondContact O-N 2.89Å; T42-E44 PolarHBondContact OG1-N 3.03Å; T42-E44 PolarHBondContact OG1-OE2 3.25Å |
| 45 | I | 92 | Very high | 94.1 | Very high | 30 Ų | 30 | 75.6 Ų | 75.6 | 15% | 0.154 | 40% | 0.404 | C | S | . | . | trans | -123.1 | 109.1 | -175 | -56.2 | 173.7 | 0 | 0 | 0 | 110.2 | V9 V39 Y41 T42 | V9-I45 HydrophobicContact CG1-CD1 3.8Å; V9-I45 HydrophobicContact CG2-CD1 4.33Å; V39-I45 HydrophobicContact CG1-CD1 4.42Å; V39-I45 HydrophobicContact CG1-CG2 3.62Å; Y41-I45 VanDerWaalsContact CA-O 3.23Å; Y41-I45 WeakPolarHBondContact CA-O 3.49Å; Y41-I45 WeakPolarHBondContact CB-O 3.24Å; T42-I45 PolarHBondContact N-O 2.84Å; T42-I45 WeakPolarHBondContact OG1-CB 3.48Å; T42-I45 WeakPolarHBondContact OG1-CG1 3.43Å; T42-I45 PolarHBondContact OG1-N 3.05Å | ||
| 46 | S | 92.4 | Very high | 93.9 | Very high | 96 Ų | 96 | 73.4 Ų | 73.4 | 67% | 0.671 | 39% | 0.393 | S | S | * | . | trans | -138.7 | 150.9 | 175.8 | 63.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 47 | P | 95.7 | Very high | 93.6 | Very high | 82 Ų | 82 | 77.5 Ų | 77.5 | 53% | 0.532 | 41% | 0.413 | S | S | . | . | trans | -67.3 | 150.9 | 171.3 | 30.9 | -34.5 | 0 | 0 | 0 | 110.6 | Y41 | Y41-P47 HydrophobicContact CE1-CG 4.3Å; Y41-P47 HydrophobicContact CE2-CG 3.93Å | ||
| 48 | I | 97.1 | Very high | 93.3 | Very high | 83 Ų | 83 | 80.2 Ų | 80.2 | 43% | 0.426 | 42% | 0.416 | S | S | . | . | trans | -105.3 | 148.7 | 172.8 | -166.7 | 164.6 | 0 | 0 | 0 | 110.4 | F124 Y131 A133 | I48-F124 HydrophobicContact CD1-CB 3.53Å; I48-F124 HydrophobicContact CD1-CD2 4.4Å; I48-F124 HydrophobicContact CD1-CG 4.06Å; I48-Y131 VanDerWaalsContact CG1-O 3.29Å; I48-Y131 WeakPolarHBondContact CG1-O 3.27Å; I48-A133 HydrophobicContact CD1-CB 4.05Å; I48-A133 HydrophobicContact CG1-CB 4.26Å; I48-A133 HydrophobicContact CG2-CB 3.77Å | ||
| 49 | C | 97.8 | Very high | 93 | Very high | 42 Ų | 42 | 81.9 Ų | 81.9 | 28% | 0.284 | 42% | 0.417 | S | S | . | . | B | Isolated β-bridge | trans | -71.2 | 138.9 | -178 | -62.1 | 0 | 0 | 0 | 0 | 111.7 | Y131 F132 A133 | C49-Y131 WeakPolarHBondContact CB-O 3.34Å; C49-Y131 PolarHBondContact N-O 3.29Å; C49-Y131 VanDerWaalsContact N-O 3.1Å; C49-F132 HydrophobicContact CB-CB 4.47Å; C49-F132 HydrophobicContact CB-CD1 3.28Å; C49-F132 HydrophobicContact CB-CD2 4.23Å; C49-F132 HydrophobicContact CB-CE1 3.35Å; C49-F132 HydrophobicContact CB-CE2 4.29Å; C49-F132 HydrophobicContact CB-CG 3.75Å; C49-F132 HydrophobicContact CB-CZ 3.88Å; C49-F132 CarbonylContact O-C 3.54Å; C49-F132 VanDerWaalsContact O-CA 3.3Å; C49-F132 WeakPolarHBondContact O-CA 3.47Å; C49-A133 PolarHBondContact O-N 3.3Å |
| 50 | L | 97.8 | Very high | 92.9 | Very high | 51 Ų | 51 | 82.2 Ų | 82.2 | 27% | 0.267 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -77.9 | 128.3 | 172.2 | -172.6 | 69.6 | 0 | 0 | 0 | 109.5 | M157 Y161 I164 L165 | L50-M157 HydrophobicContact CD1-CE 3.99Å; L50-Y161 HydrophobicContact CB-CE2 4.47Å; L50-Y161 HydrophobicContact CD2-CD2 3.46Å; L50-Y161 VanDerWaalsContact CD2-CD2 3.46Å; L50-Y161 HydrophobicContact CD2-CE2 3.62Å; L50-Y161 HydrophobicContact CD2-CG 4.36Å; L50-Y161 HydrophobicContact CG-CD2 3.76Å; L50-Y161 HydrophobicContact CG-CE2 4.03Å; L50-I164 HydrophobicContact CD1-CD1 3.61Å; L50-I164 HydrophobicContact CD1-CG2 4.1Å; L50-I164 HydrophobicContact CD2-CB 4.24Å; L50-I164 HydrophobicContact CD2-CG2 3.82Å; L50-L165 HydrophobicContact CD2-CD2 4.19Å |
| 51 | P | 97.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 80.7 Ų | 80.7 | 0% | 0 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -78.1 | 146.6 | -178.4 | 34.5 | -38.9 | 0 | 0 | 0 | 111.8 | T55 T56 F132 A133 L134 M157 D158 Y161 | P51-T55 WeakPolarHBondContact CA-OG1 3.47Å; P51-T56 HydrophobicContact CB-CG2 4.06Å; P51-F132 HydrophobicContact CB-CB 4.49Å; P51-A133 WeakPolarHBondContact CD-O 3.32Å; P51-A133 WeakPolarHBondContact CG-O 3.3Å; P51-L134 HydrophobicContact CB-CD1 4.43Å; P51-M157 HydrophobicContact CG-CB 3.64Å; P51-D158 HydrophobicContact CB-CB 4.41Å; P51-D158 HydrophobicContact CG-CB 4.44Å; P51-Y161 WeakPolarHBondContact O-CD2 3.23Å |
| 52 | T | 96.8 | Very high | 93 | Very high | 36 Ų | 36 | 76.5 Ų | 76.5 | 22% | 0.221 | 40% | 0.395 | C | S | . | . | trans | -110.1 | 169.5 | 165.1 | 64.2 | 0 | 0 | 0 | 0 | 110 | H54 T55 T56 Y161 | T52-H54 PolarHBondContact O-N 3.3Å; T52-H54 PolarHBondContact OG1-N 3.45Å; T52-T55 PolarHBondContact N-OG1 2.85Å; T52-T55 PolarHBondContact O-N 2.72Å; T52-T55 PolarHBondContact O-OG1 2.9Å; T52-T55 PolarHBondContact OG1-N 3.03Å; T52-T56 PolarHBondContact O-N 3.45Å; T52-T56 PolarHBondContact O-OG1 3.28Å; T52-Y161 HydrophobicContact CG2-CD2 3.8Å; T52-Y161 HydrophobicContact CG2-CE1 4.32Å; T52-Y161 HydrophobicContact CG2-CE2 3.45Å; T52-Y161 VanDerWaalsContact CG2-CE2 3.45Å; T52-Y161 HydrophobicContact CG2-CG 4.37Å | ||
| 53 | K | 94.5 | Very high | 93.2 | Very high | 87 Ų | 87 | 74.9 Ų | 74.9 | 38% | 0.378 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -53.5 | -34.8 | 169.5 | -65.9 | -74.3 | 163.1 | -160.5 | 0 | 112.7 | T56 N57 D158 N159 | K53-T56 WeakPolarHBondContact CA-OG1 3.41Å; K53-T56 PolarHBondContact O-OG1 3.1Å; K53-N57 WeakPolarHBondContact O-CB 3.28Å; K53-N57 PolarHBondContact O-N 3.06Å; K53-N57 VanDerWaalsContact O-N 3.12Å; K53-N57 PolarHBondContact O-ND2 2.94Å; K53-D158 VanDerWaalsContact CD-OD2 3.27Å; K53-D158 WeakPolarHBondContact CD-OD2 3.36Å; K53-D158 VanDerWaalsContact CE-OD2 3.25Å; K53-D158 WeakPolarHBondContact CE-OD2 3.44Å; K53-D158 IonicContact NZ-OD2 3.53Å; K53-D158 PolarHBondContact NZ-OD2 3.17Å; K53-N159 WeakPolarHBondContact CE-OD1 3.16Å; K53-N159 PolarHBondContact NZ-OD1 3.1Å |
| 54 | H | 94.1 | Very high | 93.6 | Very high | 159 Ų | 159 | 68.1 Ų | 68.1 | 74% | 0.736 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -67.3 | -35.6 | 176.8 | -70.2 | -66.2 | 0 | 0 | 0 | 112.8 | T52 R58 | T52-H54 PolarHBondContact O-N 3.3Å; T52-H54 PolarHBondContact OG1-N 3.45Å; H54-R58 WeakPolarHBondContact O-CG 3.16Å |
| 55 | T | 93.3 | Very high | 93.9 | Very high | 19 Ų | 19 | 63.7 Ų | 63.7 | 12% | 0.117 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -75.8 | -37 | 177.4 | 53.7 | 0 | 0 | 0 | 0 | 112.1 | P51 T52 R58 I127 F132 | P51-T55 WeakPolarHBondContact CA-OG1 3.47Å; T52-T55 PolarHBondContact N-OG1 2.85Å; T52-T55 PolarHBondContact O-N 2.72Å; T52-T55 PolarHBondContact O-OG1 2.9Å; T52-T55 PolarHBondContact OG1-N 3.03Å; T55-R58 WeakPolarHBondContact O-CB 3.34Å; T55-I127 WeakPolarHBondContact O-CD1 3.31Å; T55-F132 HydrophobicContact CG2-CD1 4.13Å; T55-F132 HydrophobicContact CG2-CE1 3.72Å; T55-F132 HydrophobicContact CG2-CZ 4Å |
| 56 | T | 90.3 | Very high | 94.1 | Very high | 17 Ų | 17 | 62.9 Ų | 62.9 | 10% | 0.104 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -77.8 | -20.7 | -178 | 53.3 | 0 | 0 | 0 | 0 | 113.8 | P51 T52 K53 R58 L134 D158 | P51-T56 HydrophobicContact CB-CG2 4.06Å; T52-T56 PolarHBondContact O-N 3.45Å; T52-T56 PolarHBondContact O-OG1 3.28Å; K53-T56 WeakPolarHBondContact CA-OG1 3.41Å; K53-T56 PolarHBondContact O-OG1 3.1Å; T56-R58 PolarHBondContact O-N 3.07Å; T56-L134 HydrophobicContact CG2-CD2 4.12Å; T56-L134 HydrophobicContact CG2-CG 4.03Å; T56-D158 HydrophobicContact CG2-CB 3.75Å; T56-D158 VanDerWaalsContact CG2-CG 3.48Å; T56-D158 PolarHBondContact OG1-OD2 3.34Å |
| 57 | N | 89 | Confident | 94.2 | Very high | 131 Ų | 131 | 58.6 Ų | 58.6 | 70% | 0.701 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | 8.4 | 174.4 | -72.4 | -13.9 | 0 | 0 | 0 | 114.4 | K53 | K53-N57 WeakPolarHBondContact O-CB 3.28Å; K53-N57 PolarHBondContact O-N 3.06Å; K53-N57 VanDerWaalsContact O-N 3.12Å; K53-N57 PolarHBondContact O-ND2 2.94Å |
| 58 | R | 87.5 | Confident | 94.1 | Very high | 107 Ų | 107 | 61.1 Ų | 61.1 | 40% | 0.404 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -97.7 | 175.6 | -178 | -59.1 | -177.9 | 66.6 | 174.1 | 2.2 | 110.9 | H54 T55 T56 L60 I127 D128 | H54-R58 WeakPolarHBondContact O-CG 3.16Å; T55-R58 WeakPolarHBondContact O-CB 3.34Å; T56-R58 PolarHBondContact O-N 3.07Å; R58-L60 PolarHBondContact O-N 3.4Å; R58-I127 VanDerWaalsContact NH1-CG2 3.31Å; R58-D128 IonicContact CZ-OD1 3.89Å; R58-D128 IonicContact CZ-OD2 2.79Å; R58-D128 VanDerWaalsContact NH1-CG 3.25Å; R58-D128 IonicContact NH1-OD1 3.21Å; R58-D128 IonicContact NH1-OD2 3.43Å; R58-D128 PolarHBondContact NH1-OD2 2.95Å; R58-D128 IonicContact NH2-OD1 2.83Å; R58-D128 PolarHBondContact NH2-OD1 2.85Å; R58-D128 IonicContact NH2-OD2 2.6Å; R58-D128 PolarHBondContact NH2-OD2 3.23Å |
| 59 | I | 86.2 | Confident | 93.9 | Very high | 145 Ų | 145 | 57.3 Ų | 57.3 | 74% | 0.744 | 28% | 0.282 | S | S | * | . | trans | -67.5 | 126.6 | 171.3 | -62.4 | 171.2 | 0 | 0 | 0 | 108.4 | D61 | I59-D61 HydrophobicContact CG2-CB 4.13Š| ||
| 60 | L | 91.4 | Very high | 93.6 | Very high | 41 Ų | 41 | 61.3 Ų | 61.3 | 22% | 0.215 | 29% | 0.291 | C | S | . | . | trans | -116.7 | 69 | -177.7 | -60.7 | 175.3 | 0 | 0 | 0 | 109.6 | R58 I87 C125 I127 L134 | R58-L60 PolarHBondContact O-N 3.4Å; L60-I87 HydrophobicContact CB-CD1 4.3Å; L60-I87 HydrophobicContact CD1-CD1 3.79Å; L60-C125 HydrophobicContact CD2-CB 4.2Å; L60-I127 HydrophobicContact CD2-CD1 3.78Å; L60-I127 HydrophobicContact CD2-CG1 4.1Å; L60-L134 HydrophobicContact CD1-CD2 3.48Å; L60-L134 VanDerWaalsContact CD1-CD2 3.48Å; L60-L134 HydrophobicContact CD2-CD2 3.71Å; L60-L134 HydrophobicContact CG-CD2 4.22Å | ||
| 61 | D | 90.4 | Very high | 93.1 | Very high | 92 Ų | 92 | 60.1 Ų | 60.1 | 49% | 0.492 | 29% | 0.285 | S | S | . | . | trans | -92.6 | -20.6 | -175.2 | 66.5 | -22.1 | 0 | 0 | 0 | 113.6 | I59 R84 | I59-D61 HydrophobicContact CG2-CB 4.13Å; D61-R84 PolarHBondContact O-NH2 2.94Å | ||
| 62 | K | 95.6 | Very high | 92.4 | Very high | 78 Ų | 78 | 67.1 Ų | 67.1 | 34% | 0.339 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -117.2 | 78.9 | 179.9 | -66.3 | 179.2 | -178.3 | 175.7 | 0 | 111 | F64 C125 E126 | K62-F64 HydrophobicContact CB-CE2 4.22Å; K62-C125 CarbonylContact O-C 3.54Å; K62-C125 WeakPolarHBondContact O-CA 3.26Å; K62-E126 HydrophobicContact CB-CB 4.06Å; K62-E126 HydrophobicContact CD-CB 4.24Å; K62-E126 WeakPolarHBondContact CD-OE2 3.28Å; K62-E126 IonicContact NZ-OE1 2.73Å; K62-E126 IonicContact NZ-OE2 3.69Å; K62-E126 PolarHBondContact NZ-OE2 3.33Å; K62-E126 PolarHBondContact O-N 3.23Å |
| 63 | C | 97.7 | Very high | 91.9 | Very high | 1 Ų | 1 | 71.1 Ų | 71.1 | 1% | 0.007 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 147.1 | 179 | -64.2 | 0 | 0 | 0 | 0 | 111.7 | R84 V85 L123 F124 C125 | C63-R84 WeakPolarHBondContact O-CA 3.48Å; C63-R84 WeakPolarHBondContact O-CG 3.34Å; C63-V85 HydrophobicContact CB-CG2 4.25Å; C63-V85 PolarHBondContact O-N 3.34Å; C63-L123 HydrophobicContact CB-CD1 4.22Å; C63-F124 CarbonylContact C-O 3.56Å; C63-F124 WeakPolarHBondContact CA-O 3.25Å; C63-C125 HydrophobicContact CB-CB 4.12Å; C63-C125 WeakPolarHBondContact CB-SG 3.24Å; C63-C125 WeakPolarHBondContact SG-CB 3.15Å; C63-C125 CovalentContact SG-SG 2.04Å; C63-C125 PolarHBondContact SG-SG 3.38Å |
| 64 | F | 97.8 | Very high | 91.5 | Very high | 37 Ų | 37 | 69.2 Ų | 69.2 | 16% | 0.162 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 147.5 | -173.2 | -55.8 | -90 | 0 | 0 | 0 | 110.3 | K62 T83 R84 L123 F124 Y131 | K62-F64 HydrophobicContact CB-CE2 4.22Å; F64-T83 CarbonylContact C-O 3.57Å; F64-T83 WeakPolarHBondContact CA-O 2.98Å; F64-R84 HydrophobicContact CD1-CB 4.16Å; F64-R84 HydrophobicContact CD1-CG 4.48Å; F64-R84 HydrophobicContact CE1-CB 4.09Å; F64-R84 HydrophobicContact CE1-CG 4.22Å; F64-L123 WeakPolarHBondContact O-CA 3.48Å; F64-F124 HydrophobicContact CB-CD1 4.32Å; F64-F124 HydrophobicContact CB-CD2 4.18Å; F64-F124 HydrophobicContact CB-CE1 3.8Å; F64-F124 HydrophobicContact CB-CE2 3.66Å; F64-F124 HydrophobicContact CB-CG 4.49Å; F64-F124 HydrophobicContact CB-CZ 3.45Å; F64-F124 VanDerWaalsContact CB-CZ 3.45Å; F64-F124 HydrophobicContact CD2-CD2 4.38Å; F64-F124 HydrophobicContact CD2-CE2 4.07Å; F64-F124 HydrophobicContact CG-CE2 4.11Å; F64-F124 HydrophobicContact CG-CZ 4.27Å; F64-F124 PolarHBondContact N-O 2.85Å; F64-F124 WeakPolarHBondContact O-CD1 3.29Å; F64-F124 PolarHBondContact O-N 2.99Å; F64-Y131 HydrophobicContact CD2-CE1 4.13Å; F64-Y131 AromaticContact CE2-CE1 3.95Å; F64-Y131 HydrophobicContact CE2-CE1 3.95Å |
| 65 | A | 96.7 | Very high | 91.3 | Very high | 3 Ų | 3 | 65.8 Ų | 65.8 | 3% | 0.025 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 147.5 | 164 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q82 T83 V85 P114 P122 Y154 | A65-Q82 CarbonylContact O-C 3.51Å; A65-Q82 WeakPolarHBondContact O-CA 3.45Å; A65-Q82 WeakPolarHBondContact O-CB 3.48Å; A65-T83 HydrophobicContact CB-CG2 4.41Å; A65-T83 PolarHBondContact N-O 3.03Å; A65-T83 PolarHBondContact O-N 3.44Å; A65-V85 HydrophobicContact CB-CG1 4.22Å; A65-P114 HydrophobicContact CB-CG 3.66Å; A65-P122 WeakPolarHBondContact CA-O 3.48Å; A65-Y154 VanDerWaalsContact CB-OH 3.32Å; A65-Y154 WeakPolarHBondContact CB-OH 3.29Å |
| 66 | A | 96.1 | Very high | 91.3 | Very high | 14 Ų | 14 | 69.5 Ų | 69.5 | 12% | 0.116 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 152.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L80 R81 Q82 F124 | A66-L80 HydrophobicContact CB-CD1 4.16Å; A66-R81 CarbonylContact C-O 3.52Å; A66-R81 WeakPolarHBondContact CA-O 3.38Å; A66-R81 WeakPolarHBondContact CB-O 3.47Å; A66-Q82 HydrophobicContact CB-CB 4.01Å; A66-F124 HydrophobicContact CB-CE1 3.77Å; A66-F124 HydrophobicContact CB-CZ 4.29Å |
| 67 | G | 95.4 | Very high | 91.4 | Very high | 6 Ų | 6 | 69.3 Ų | 69.3 | 6% | 0.062 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.6 | -173.2 | 179 | 0 | 0 | 0 | 0 | 0 | 114.9 | R81 D118 | G67-R81 PolarHBondContact N-O 3.03Å; G67-R81 PolarHBondContact O-N 3.27Å; G67-D118 VanDerWaalsContact C-OD1 3.31Å; G67-D118 VanDerWaalsContact CA-OD1 3.24Å; G67-D118 WeakPolarHBondContact CA-OD1 3.42Å |
| 68 | W | 94.4 | Very high | 91.5 | Very high | 135 Ų | 135 | 68.9 Ų | 68.9 | 51% | 0.511 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -122 | 13 | -177.7 | -65.1 | -93.1 | 0 | 0 | 0 | 112.1 | V76 S77 L80 D118 | W68-V76 WeakPolarHBondContact O-CB 3.38Å; W68-S77 PolarHBondContact O-N 2.92Å; W68-L80 HydrophobicContact CD2-CD1 3.94Å; W68-L80 HydrophobicContact CE3-CD1 4.03Å; W68-L80 HydrophobicContact CH2-CD1 3.76Å; W68-L80 HydrophobicContact CZ2-CB 3.95Å; W68-L80 HydrophobicContact CZ2-CD1 3.66Å; W68-L80 HydrophobicContact CZ2-CD2 4.45Å; W68-L80 HydrophobicContact CZ2-CG 4.22Å; W68-L80 HydrophobicContact CZ3-CD1 3.94Å; W68-D118 PolarHBondContact N-OD1 3.22Å; W68-D118 VanDerWaalsContact N-OD1 3.16Å |
| 69 | G | 92.6 | Very high | 91.6 | Very high | 3 Ų | 3 | 67.8 Ų | 67.8 | 3% | 0.031 | 36% | 0.363 | C | S | . | . | trans | -62.8 | -173 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | V76 S77 T116 D118 | G69-V76 WeakPolarHBondContact O-CA 3.17Å; G69-S77 PolarHBondContact O-N 2.89Å; G69-T116 WeakPolarHBondContact CA-O 3.26Å; G69-D118 VanDerWaalsContact CA-OD1 3.29Å; G69-D118 WeakPolarHBondContact CA-OD1 3.4Å; G69-D118 PolarHBondContact N-OD1 2.83Å | ||
| 70 | R | 90.9 | Very high | 92 | Very high | 126 Ų | 126 | 65.2 Ų | 65.2 | 48% | 0.475 | 35% | 0.351 | S | S | . | . | B | Isolated β-bridge | trans | -63 | 136.6 | -179 | -71.3 | -176.4 | -178.3 | 169.2 | -3.3 | 111.3 | T75 V76 T116 C144 | R70-T75 WeakPolarHBondContact CA-O 3.37Å; R70-V76 HydrophobicContact CG-CG1 4.27Å; R70-T116 PolarHBondContact N-O 2.99Å; R70-C144 VanDerWaalsContact CB-SG 3.57Å |
| 71 | T | 88.1 | Confident | 92.1 | Very high | 25 Ų | 25 | 70.5 Ų | 70.5 | 15% | 0.153 | 37% | 0.368 | C | S | . | . | trans | -97.3 | -179.5 | 173.8 | 61.3 | 0 | 0 | 0 | 0 | 110.9 | N73 G74 T75 | T71-N73 PolarHBondContact O-N 2.84Å; T71-G74 PolarHBondContact O-N 2.7Å; T71-T75 PolarHBondContact N-O 2.94Å; T71-T75 PolarHBondContact OG1-O 3.16Å; T71-T75 VanDerWaalsContact OG1-O 3.11Å | ||
| 72 | E | 82.7 | Confident | 92.3 | Very high | 147 Ų | 147 | 72.6 Ų | 72.6 | 69% | 0.687 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -21.2 | 175.1 | 69.1 | -75.7 | 175.7 | 0 | 0 | 113.7 | G74 | E72-G74 VanDerWaalsContact C-N 3.27Å; E72-G74 PolarHBondContact O-N 3.11Å |
| 73 | N | 85.9 | Confident | 92.3 | Very high | 120 Ų | 120 | 69.6 Ų | 69.6 | 64% | 0.642 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | 1.2 | 177 | -58.5 | -54.7 | 0 | 0 | 0 | 113.3 | T71 T75 | T71-N73 PolarHBondContact O-N 2.84Å; N73-T75 PolarHBondContact O-N 2.99Å |
| 74 | G | 85.7 | Confident | 92.2 | Very high | 48 Ų | 48 | 73 Ų | 73 | 50% | 0.495 | 38% | 0.375 | S | S | . | . | S | Bend | trans | 75.8 | 0.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | T71 E72 | T71-G74 PolarHBondContact O-N 2.7Å; E72-G74 VanDerWaalsContact C-N 3.27Å; E72-G74 PolarHBondContact O-N 3.11Å |
| 75 | T | 90.6 | Very high | 92.1 | Very high | 87 Ų | 87 | 71.3 Ų | 71.3 | 53% | 0.534 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -108.1 | 150.1 | 179.6 | 57.4 | 0 | 0 | 0 | 0 | 111.6 | R70 T71 N73 | R70-T75 WeakPolarHBondContact CA-O 3.37Å; T71-T75 PolarHBondContact N-O 2.94Å; T71-T75 PolarHBondContact OG1-O 3.16Å; T71-T75 VanDerWaalsContact OG1-O 3.11Å; N73-T75 PolarHBondContact O-N 2.99Å |
| 76 | V | 92 | Very high | 92 | Very high | 96 Ų | 96 | 74.5 Ų | 74.5 | 58% | 0.582 | 38% | 0.383 | S | S | * | . | B | Isolated β-bridge | trans | -67.1 | 147.2 | 173 | -65.6 | 0 | 0 | 0 | 0 | 110.8 | W68 G69 R70 | W68-V76 WeakPolarHBondContact O-CB 3.38Å; G69-V76 WeakPolarHBondContact O-CA 3.17Å; R70-V76 HydrophobicContact CG-CG1 4.27Å |
| 77 | S | 92.2 | Very high | 91.9 | Very high | 14 Ų | 14 | 75.5 Ų | 75.5 | 10% | 0.098 | 39% | 0.386 | C | S | . | . | trans | -86.7 | 132.8 | -179 | -171.3 | 0 | 0 | 0 | 0 | 111.2 | W68 G69 T79 R81 | W68-S77 PolarHBondContact O-N 2.92Å; G69-S77 PolarHBondContact O-N 2.89Å; S77-T79 VanDerWaalsContact C-N 3.29Å; S77-T79 WeakPolarHBondContact CB-O 3.46Å; S77-T79 PolarHBondContact OG-N 2.74Å; S77-T79 PolarHBondContact OG-O 3.46Å; S77-R81 PolarHBondContact OG-NE 3.47Å | ||
| 78 | T | 90.8 | Very high | 91.7 | Very high | 121 Ų | 121 | 75.7 Ų | 75.7 | 74% | 0.742 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -81.4 | -11.5 | 170.6 | 54.5 | 0 | 0 | 0 | 0 | 112.9 | ||
| 79 | T | 91.4 | Very high | 91.5 | Very high | 85 Ų | 85 | 72.6 Ų | 72.6 | 52% | 0.521 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -113.7 | 141.6 | 175.1 | -52.7 | 0 | 0 | 0 | 0 | 109.4 | S77 R81 | S77-T79 VanDerWaalsContact C-N 3.29Å; S77-T79 WeakPolarHBondContact CB-O 3.46Å; S77-T79 PolarHBondContact OG-N 2.74Å; S77-T79 PolarHBondContact OG-O 3.46Å; T79-R81 PolarHBondContact O-N 2.9Å |
| 80 | L | 93.1 | Very high | 91.2 | Very high | 91 Ų | 91 | 73.1 Ų | 73.1 | 48% | 0.476 | 39% | 0.385 | S | S | . | . | trans | -59.5 | 130 | 175.9 | -179.6 | 64.2 | 0 | 0 | 0 | 109.9 | A66 W68 | A66-L80 HydrophobicContact CB-CD1 4.16Å; W68-L80 HydrophobicContact CD2-CD1 3.94Å; W68-L80 HydrophobicContact CE3-CD1 4.03Å; W68-L80 HydrophobicContact CH2-CD1 3.76Å; W68-L80 HydrophobicContact CZ2-CB 3.95Å; W68-L80 HydrophobicContact CZ2-CD1 3.66Å; W68-L80 HydrophobicContact CZ2-CD2 4.45Å; W68-L80 HydrophobicContact CZ2-CG 4.22Å; W68-L80 HydrophobicContact CZ3-CD1 3.94Å | ||
| 81 | R | 94.3 | Very high | 91 | Very high | 152 Ų | 152 | 70.8 Ų | 70.8 | 57% | 0.574 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 154.4 | 173.7 | -58.1 | -58.6 | -176.8 | 156.9 | 1.2 | 109.7 | A66 G67 S77 T79 | A66-R81 CarbonylContact C-O 3.52Å; A66-R81 WeakPolarHBondContact CA-O 3.38Å; A66-R81 WeakPolarHBondContact CB-O 3.47Å; G67-R81 PolarHBondContact N-O 3.03Å; G67-R81 PolarHBondContact O-N 3.27Å; S77-R81 PolarHBondContact OG-NE 3.47Å; T79-R81 PolarHBondContact O-N 2.9Å |
| 82 | Q | 95 | Very high | 90.9 | Very high | 136 Ų | 136 | 74.1 Ų | 74.1 | 64% | 0.636 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 154.6 | 172.2 | 64.7 | 171.6 | -4.8 | 0 | 0 | 110.8 | A65 A66 | A65-Q82 CarbonylContact O-C 3.51Å; A65-Q82 WeakPolarHBondContact O-CA 3.45Å; A65-Q82 WeakPolarHBondContact O-CB 3.48Å; A66-Q82 HydrophobicContact CB-CB 4.01Å |
| 83 | T | 94.2 | Very high | 91 | Very high | 14 Ų | 14 | 67.1 Ų | 67.1 | 9% | 0.086 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 152.8 | 173.7 | -175.9 | 0 | 0 | 0 | 0 | 110.5 | F64 A65 V85 S112 | F64-T83 CarbonylContact C-O 3.57Å; F64-T83 WeakPolarHBondContact CA-O 2.98Å; A65-T83 HydrophobicContact CB-CG2 4.41Å; A65-T83 PolarHBondContact N-O 3.03Å; A65-T83 PolarHBondContact O-N 3.44Å; T83-V85 HydrophobicContact CG2-CG1 3.94Å; T83-S112 VanDerWaalsContact CB-OG 3.31Å; T83-S112 WeakPolarHBondContact CB-OG 3.39Å; T83-S112 WeakPolarHBondContact CG2-O 3.37Å; T83-S112 WeakPolarHBondContact OG1-CB 3.41Å; T83-S112 PolarHBondContact OG1-O 3.09Å; T83-S112 PolarHBondContact OG1-OG 3.22Å |
| 84 | R | 96.1 | Very high | 90.3 | Very high | 73 Ų | 73 | 70.3 Ų | 70.3 | 28% | 0.275 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 133.8 | 173.1 | -170.8 | 173.5 | 177.5 | 175.5 | 0.8 | 108.9 | D61 C63 F64 Y108 | D61-R84 PolarHBondContact O-NH2 2.94Å; C63-R84 WeakPolarHBondContact O-CA 3.48Å; C63-R84 WeakPolarHBondContact O-CG 3.34Å; F64-R84 HydrophobicContact CD1-CB 4.16Å; F64-R84 HydrophobicContact CD1-CG 4.48Å; F64-R84 HydrophobicContact CE1-CB 4.09Å; F64-R84 HydrophobicContact CE1-CG 4.22Å; R84-Y108 HydrophobicContact CB-CD1 4.12Å; R84-Y108 VanDerWaalsContact CD-CD1 3.47Å; R84-Y108 VanDerWaalsContact CD-CE1 3.41Å; R84-Y108 HydrophobicContact CG-CD1 3.56Å; R84-Y108 HydrophobicContact CG-CE1 4.05Å; R84-Y108 HydrophobicContact CG-CG 4.35Å; R84-Y108 VanDerWaalsContact NE-CE1 3.28Å |
| 85 | V | 95.2 | Very high | 89.5 | Confident | 2 Ų | 2 | 74.1 Ų | 74.1 | 1% | 0.012 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 160.3 | -176.8 | -61.6 | 0 | 0 | 0 | 0 | 110.3 | C63 A65 T83 I105 M113 L123 | C63-V85 HydrophobicContact CB-CG2 4.25Å; C63-V85 PolarHBondContact O-N 3.34Å; A65-V85 HydrophobicContact CB-CG1 4.22Å; T83-V85 HydrophobicContact CG2-CG1 3.94Å; V85-I105 HydrophobicContact CB-CB 4.41Å; V85-I105 HydrophobicContact CB-CD1 3.84Å; V85-I105 HydrophobicContact CG1-CD1 3.73Å; V85-I105 HydrophobicContact CG2-CB 4.49Å; V85-I105 HydrophobicContact CG2-CD1 4.1Å; V85-I105 HydrophobicContact CG2-CG2 4.27Å; V85-M113 HydrophobicContact CG1-SD 4.24Å; V85-L123 HydrophobicContact CG2-CD1 3.64Å |
| 86 | Q | 95 | Very high | 88.2 | Confident | 70 Ų | 70 | 77 Ų | 77 | 33% | 0.327 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 125.9 | 174.8 | -177 | 175 | 10.1 | 0 | 0 | 109.7 | V88 I105 R106 Y108 | Q86-V88 HydrophobicContact CG-CG1 4.15Å; Q86-I105 CarbonylContact O-C 3.59Å; Q86-I105 WeakPolarHBondContact O-CA 3.29Å; Q86-I105 WeakPolarHBondContact O-CB 3.37Å; Q86-R106 HydrophobicContact CB-CG 4.12Å; Q86-R106 PolarHBondContact N-O 2.78Å; Q86-R106 PolarHBondContact O-N 3.31Å; Q86-Y108 HydrophobicContact CB-CD2 4.11Å |
| 87 | I | 94.6 | Very high | 87 | Confident | 35 Ų | 35 | 80.4 Ų | 80.4 | 18% | 0.179 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 128.4 | 166.1 | -61.4 | 172.1 | 0 | 0 | 0 | 107.8 | L60 L103 C104 I105 L123 L134 | L60-I87 HydrophobicContact CB-CD1 4.3Å; L60-I87 HydrophobicContact CD1-CD1 3.79Å; I87-L103 HydrophobicContact CG2-CD2 4.28Å; I87-C104 WeakPolarHBondContact CA-O 3.5Å; I87-I105 HydrophobicContact CG1-CG2 3.98Å; I87-L123 HydrophobicContact CD1-CD2 4.05Å; I87-L123 HydrophobicContact CG1-CD2 4.09Å; I87-L134 HydrophobicContact CD1-CD2 4.12Å |
| 88 | V | 91.7 | Very high | 85.8 | Confident | 10 Ų | 10 | 81.1 Ų | 81.1 | 6% | 0.061 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 153.7 | -179.6 | -71 | 0 | 0 | 0 | 0 | 111.3 | Q86 I90 C93 C104 R106 | Q86-V88 HydrophobicContact CG-CG1 4.15Å; V88-I90 PolarHBondContact O-N 3.2Å; V88-C93 WeakPolarHBondContact CG2-SG 3.25Å; V88-C104 HydrophobicContact CG2-CB 4.2Å; V88-C104 PolarHBondContact N-O 3.06Å; V88-R106 HydrophobicContact CG1-CG 3.69Å |
| 89 | P | 89.3 | Confident | 84.8 | Confident | 70 Ų | 70 | 80.2 Ų | 80.2 | 46% | 0.455 | 39% | 0.386 | S | S | . | . | trans | -53.8 | 136.9 | 170.3 | -24.2 | 34.5 | 0 | 0 | 0 | 110.9 | S91 E92 | P89-S91 PolarHBondContact O-N 3.01Å; P89-S91 VanDerWaalsContact O-N 3.07Å; P89-E92 HydrophobicContact CB-CG 4.45Å; P89-E92 WeakPolarHBondContact CD-OE1 3.19Å; P89-E92 WeakPolarHBondContact CG-OE1 3.36Å; P89-E92 WeakPolarHBondContact O-CB 3.09Å; P89-E92 PolarHBondContact O-N 3.02Å | ||
| 90 | I | 86.9 | Confident | 84.1 | Confident | 14 Ų | 14 | 79.5 Ų | 79.5 | 7% | 0.072 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -59.4 | -25.9 | -179 | -161.1 | 68.3 | 0 | 0 | 0 | 112.9 | V88 E92 C93 N99 C104 F153 | V88-I90 PolarHBondContact O-N 3.2Å; I90-E92 PolarHBondContact O-N 2.7Å; I90-C93 HydrophobicContact CD1-CB 4.3Å; I90-C93 WeakPolarHBondContact O-CA 3.3Å; I90-C93 WeakPolarHBondContact O-CB 3.47Å; I90-C93 PolarHBondContact O-N 3.43Å; I90-N99 HydrophobicContact CG2-CB 3.66Å; I90-N99 VanDerWaalsContact CG2-CG 3.4Å; I90-N99 VanDerWaalsContact CG2-OD1 3.3Å; I90-N99 WeakPolarHBondContact CG2-OD1 3.2Å; I90-C104 HydrophobicContact CD1-CB 3.92Å; I90-F153 HydrophobicContact CD1-CD1 4.37Å; I90-F153 HydrophobicContact CD1-CE1 4.12Å |
| 91 | S | 85.7 | Confident | 83.6 | Confident | 76 Ų | 76 | 78.1 Ų | 78.1 | 53% | 0.531 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -62.8 | -26.3 | 177 | 51.3 | 0 | 0 | 0 | 0 | 111.9 | P89 C93 | P89-S91 PolarHBondContact O-N 3.01Å; P89-S91 VanDerWaalsContact O-N 3.07Å; S91-C93 VanDerWaalsContact C-N 3.26Å |
| 92 | E | 87 | Confident | 83.4 | Confident | 95 Ų | 95 | 71.1 Ų | 71.1 | 44% | 0.444 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -80.9 | -9.2 | 173.7 | -62.8 | 179.7 | -145.3 | 0 | 0 | 112.2 | P89 I90 | P89-E92 HydrophobicContact CB-CG 4.45Å; P89-E92 WeakPolarHBondContact CD-OE1 3.19Å; P89-E92 WeakPolarHBondContact CG-OE1 3.36Å; P89-E92 WeakPolarHBondContact O-CB 3.09Å; P89-E92 PolarHBondContact O-N 3.02Å; I90-E92 PolarHBondContact O-N 2.7Å |
| 93 | C | 84.9 | Confident | 83.3 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -99.4 | 10.1 | -173.3 | -59.6 | 0 | 0 | 0 | 0 | 115 | V88 I90 S91 Y95 C104 L151 F153 | V88-C93 WeakPolarHBondContact CG2-SG 3.25Å; I90-C93 HydrophobicContact CD1-CB 4.3Å; I90-C93 WeakPolarHBondContact O-CA 3.3Å; I90-C93 WeakPolarHBondContact O-CB 3.47Å; I90-C93 PolarHBondContact O-N 3.43Å; S91-C93 VanDerWaalsContact C-N 3.26Å; C93-Y95 WeakPolarHBondContact O-CD2 3.43Å; C93-Y95 PolarHBondContact O-N 2.81Å; C93-C104 HydrophobicContact CB-CB 3.8Å; C93-C104 WeakPolarHBondContact CB-SG 3.46Å; C93-C104 WeakPolarHBondContact SG-CB 3.32Å; C93-C104 CovalentContact SG-SG 2Å; C93-C104 PolarHBondContact SG-SG 3.18Å; C93-L151 HydrophobicContact CB-CD1 3.8Å; C93-F153 HydrophobicContact CB-CE1 3.95Å; C93-F153 HydrophobicContact CB-CZ 4.12Å |
| 94 | F | 71.5 | Confident | 83.3 | Confident | 188 Ų | 188 | 64.5 Ų | 64.5 | 83% | 0.825 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 18.1 | 177.6 | -54.8 | -78.1 | 0 | 0 | 0 | 115.4 | ||
| 95 | Y | 68.1 | Low | 83.1 | Confident | 127 Ų | 127 | 61 Ų | 61 | 50% | 0.498 | 31% | 0.307 | S | S | . | . | trans | -133.3 | 64.1 | -178.6 | -86.5 | -86.2 | 0 | 0 | 0 | 109.9 | C93 E97 R98 F153 | C93-Y95 WeakPolarHBondContact O-CD2 3.43Å; C93-Y95 PolarHBondContact O-N 2.81Å; Y95-E97 PolarHBondContact O-N 3.14Å; Y95-R98 PolarHBondContact O-N 3.01Å; Y95-F153 HydrophobicContact CD2-CE1 4.42Å; Y95-F153 HydrophobicContact CD2-CE2 4.2Å; Y95-F153 AromaticContact CD2-CZ 3.6Å; Y95-F153 HydrophobicContact CD2-CZ 3.6Å; Y95-F153 HydrophobicContact CE2-CZ 4.37Å; Y95-F153 HydrophobicContact CG-CE1 4.39Å; Y95-F153 AromaticContact CG-CZ 3.98Å; Y95-F153 HydrophobicContact CG-CZ 3.98Å | ||
| 96 | E | 62.7 | Low | 83 | Confident | 149 Ų | 149 | 64.7 Ų | 64.7 | 70% | 0.696 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -59.7 | -28.7 | -174.4 | -65.3 | -170.1 | 169.2 | 0 | 0 | 113.5 | R98 N99 | E96-R98 PolarHBondContact O-N 2.89Å; E96-N99 WeakPolarHBondContact O-CB 3.38Å; E96-N99 PolarHBondContact O-N 3.28Å; E96-N99 VanDerWaalsContact O-N 3.15Å |
| 97 | E | 66.6 | Low | 82.7 | Confident | 167 Ų | 167 | 64.1 Ų | 64.1 | 78% | 0.78 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -58.6 | -19.8 | -178.3 | -63.2 | -172.9 | 176.3 | 0 | 0 | 113.7 | Y95 R101 | Y95-E97 PolarHBondContact O-N 3.14Å; E97-R101 PolarHBondContact O-NH2 2.98Å |
| 98 | R | 68.2 | Low | 82.4 | Confident | 29 Ų | 29 | 67.8 Ų | 67.8 | 11% | 0.109 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -98.9 | 6.3 | -176.6 | -61 | -169.1 | -179.7 | -138.1 | 5.7 | 114.7 | N25 D26 Y95 E96 A100 R101 A102 | N25-R98 PolarHBondContact O-NH2 2.8Å; D26-R98 IonicContact OD2-CZ 2.8Å; D26-R98 IonicContact OD2-NH2 3.63Å; D26-R98 PolarHBondContact OD2-NH2 2.92Å; Y95-R98 PolarHBondContact O-N 3.01Å; E96-R98 PolarHBondContact O-N 2.89Å; R98-A100 VanDerWaalsContact C-N 3.33Å; R98-A100 PolarHBondContact O-N 3.44Å; R98-A100 VanDerWaalsContact O-N 3.09Å; R98-R101 PolarHBondContact O-N 3.13Å; R98-A102 HydrophobicContact CB-CB 3.98Å; R98-A102 PolarHBondContact O-N 3.1Å |
| 99 | N | 68.3 | Low | 82 | Confident | 101 Ų | 101 | 74.5 Ų | 74.5 | 54% | 0.54 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.6 | -48.4 | -169.2 | -171 | -3.4 | 0 | 0 | 0 | 115.3 | I90 E96 | I90-N99 HydrophobicContact CG2-CB 3.66Å; I90-N99 VanDerWaalsContact CG2-CG 3.4Å; I90-N99 VanDerWaalsContact CG2-OD1 3.3Å; I90-N99 WeakPolarHBondContact CG2-OD1 3.2Å; E96-N99 WeakPolarHBondContact O-CB 3.38Å; E96-N99 PolarHBondContact O-N 3.28Å; E96-N99 VanDerWaalsContact O-N 3.15Å |
| 100 | A | 77 | Confident | 81.8 | Confident | 71 Ų | 71 | 77.4 Ų | 77.4 | 59% | 0.587 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -16.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114 | R98 N159 | R98-A100 VanDerWaalsContact C-N 3.33Å; R98-A100 PolarHBondContact O-N 3.44Å; R98-A100 VanDerWaalsContact O-N 3.09Å; A100-N159 PolarHBondContact O-ND2 2.96Å |
| 101 | R | 82.9 | Confident | 81.6 | Confident | 61 Ų | 61 | 86.8 Ų | 86.8 | 23% | 0.23 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | -29 | -162.1 | -59.8 | 177 | -68.4 | 119.9 | -21.8 | 113 | D27 E97 R98 R156 | D27-R101 WeakPolarHBondContact OD1-CD 3.31Å; D27-R101 IonicContact OD1-CZ 2.65Å; D27-R101 IonicContact OD1-NE 3.17Å; D27-R101 IonicContact OD1-NH1 3.63Å; D27-R101 PolarHBondContact OD1-NH1 3.36Å; D27-R101 WeakPolarHBondContact OD2-CD 3.32Å; D27-R101 IonicContact OD2-CZ 3.52Å; D27-R101 IonicContact OD2-NE 2.61Å; D27-R101 IonicContact OD2-NH1 3.48Å; D27-R101 PolarHBondContact OD2-NH1 2.78Å; E97-R101 PolarHBondContact O-NH2 2.98Å; R98-R101 PolarHBondContact O-N 3.13Å; R101-R156 VanDerWaalsContact O-CB 3.28Å; R101-R156 WeakPolarHBondContact O-CB 3.46Å; R101-R156 PolarHBondContact O-N 2.95Å; R101-R156 VanDerWaalsContact O-N 3.15Å |
| 102 | A | 90.5 | Very high | 81.7 | Confident | 6 Ų | 6 | 85.4 Ų | 85.4 | 5% | 0.05 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 160.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113 | R98 Y154 R156 | R98-A102 HydrophobicContact CB-CB 3.98Å; R98-A102 PolarHBondContact O-N 3.1Å; A102-Y154 CarbonylContact C-O 3.52Å; A102-Y154 VanDerWaalsContact CA-O 3.27Å; A102-Y154 WeakPolarHBondContact CA-O 3.15Å; A102-R156 PolarHBondContact O-NE 2.83Å; A102-R156 PolarHBondContact O-NH2 2.04Å |
| 103 | L | 93.3 | Very high | 81.9 | Confident | 8 Ų | 8 | 82.3 Ų | 82.3 | 4% | 0.042 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 139.7 | 157.6 | -68 | 169.8 | 0 | 0 | 0 | 107.3 | I87 L123 L134 F153 Y154 R156 | I87-L103 HydrophobicContact CG2-CD2 4.28Å; L103-L123 HydrophobicContact CB-CD2 4.23Å; L103-L123 HydrophobicContact CD1-CD2 3.88Å; L103-L134 HydrophobicContact CD1-CB 3.99Å; L103-L134 VanDerWaalsContact CD1-O 3.26Å; L103-L134 WeakPolarHBondContact CD1-O 3.11Å; L103-F153 WeakPolarHBondContact O-CA 3.02Å; L103-Y154 PolarHBondContact N-O 2.61Å; L103-Y154 PolarHBondContact O-N 2.65Å; L103-R156 HydrophobicContact CD2-CG 4.45Å; L103-R156 HydrophobicContact CG-CB 4.12Å; L103-R156 HydrophobicContact CG-CG 4.19Å |
| 104 | C | 92.9 | Very high | 82.2 | Confident | 2 Ų | 2 | 82.7 Ų | 82.7 | 1% | 0.014 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 137.8 | 173.3 | -179.2 | 0 | 0 | 0 | 0 | 108.9 | I87 V88 I90 C93 A152 F153 | I87-C104 WeakPolarHBondContact CA-O 3.5Å; V88-C104 HydrophobicContact CG2-CB 4.2Å; V88-C104 PolarHBondContact N-O 3.06Å; I90-C104 HydrophobicContact CD1-CB 3.92Å; C93-C104 HydrophobicContact CB-CB 3.8Å; C93-C104 WeakPolarHBondContact CB-SG 3.46Å; C93-C104 WeakPolarHBondContact SG-CB 3.32Å; C93-C104 CovalentContact SG-SG 2Å; C93-C104 PolarHBondContact SG-SG 3.18Å; C104-A152 WeakPolarHBondContact CA-O 3.42Å; C104-F153 HydrophobicContact CB-CD1 4.31Å; C104-F153 HydrophobicContact CB-CE1 4.3Å |
| 105 | I | 93.6 | Very high | 83.1 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 157.1 | 174.9 | 64 | 142.5 | 0 | 0 | 0 | 110.9 | V85 Q86 I87 M113 P114 L123 L151 A152 Y154 | V85-I105 HydrophobicContact CB-CB 4.41Å; V85-I105 HydrophobicContact CB-CD1 3.84Å; V85-I105 HydrophobicContact CG1-CD1 3.73Å; V85-I105 HydrophobicContact CG2-CB 4.49Å; V85-I105 HydrophobicContact CG2-CD1 4.1Å; V85-I105 HydrophobicContact CG2-CG2 4.27Å; Q86-I105 CarbonylContact O-C 3.59Å; Q86-I105 WeakPolarHBondContact O-CA 3.29Å; Q86-I105 WeakPolarHBondContact O-CB 3.37Å; I87-I105 HydrophobicContact CG1-CG2 3.98Å; I105-M113 HydrophobicContact CD1-CE 3.64Å; I105-M113 HydrophobicContact CD1-SD 4.11Å; I105-M113 HydrophobicContact CG1-CE 4.14Å; I105-P114 HydrophobicContact CD1-CG 4.21Å; I105-L123 HydrophobicContact CG2-CD1 4.03Å; I105-L123 HydrophobicContact CG2-CD2 3.8Å; I105-L151 WeakPolarHBondContact O-CA 3.45Å; I105-L151 WeakPolarHBondContact O-CD2 3.44Å; I105-A152 HydrophobicContact CD1-CB 4.04Å; I105-A152 HydrophobicContact CG1-CB 3.78Å; I105-A152 WeakPolarHBondContact CG1-O 3.22Å; I105-A152 PolarHBondContact N-O 3.29Å; I105-A152 PolarHBondContact O-N 3.17Å; I105-A152 VanDerWaalsContact O-N 3.14Å; I105-Y154 HydrophobicContact CD1-CE2 3.76Å; I105-Y154 HydrophobicContact CG1-CD2 4.11Å; I105-Y154 HydrophobicContact CG1-CE2 3.74Å; I105-Y154 HydrophobicContact CG2-CD2 4.38Å; I105-Y154 HydrophobicContact CG2-CE2 4.49Å |
| 106 | R | 91.9 | Very high | 84.2 | Confident | 80 Ų | 80 | 70.9 Ų | 70.9 | 30% | 0.302 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 171.7 | 164.7 | 70.3 | 175.1 | -174 | -172.5 | 5.4 | 110.5 | Q86 V88 M113 L151 | Q86-R106 HydrophobicContact CB-CG 4.12Å; Q86-R106 PolarHBondContact N-O 2.78Å; Q86-R106 PolarHBondContact O-N 3.31Å; V88-R106 HydrophobicContact CG1-CG 3.69Å; R106-M113 VanDerWaalsContact C-SD 3.6Å; R106-L151 HydrophobicContact CB-CD2 3.84Å |
| 107 | E | 89.6 | Confident | 85.5 | Confident | 58 Ų | 58 | 66.2 Ų | 66.2 | 27% | 0.271 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 143.2 | 174.2 | -170.7 | -95.8 | 155.1 | 0 | 0 | 111.9 | Y109 N110 R111 M113 | E107-Y109 VanDerWaalsContact OE1-CA 3.29Å; E107-Y109 WeakPolarHBondContact OE1-CA 3.43Å; E107-Y109 PolarHBondContact OE1-N 3.21Å; E107-N110 PolarHBondContact OE1-N 2.95Å; E107-N110 VanDerWaalsContact OE1-N 3.15Å; E107-R111 WeakPolarHBondContact OE1-CA 3.4Å; E107-R111 PolarHBondContact OE1-N 2.94Å; E107-M113 WeakPolarHBondContact CA-SD 3.28Å; E107-M113 HydrophobicContact CB-CG 3.85Å; E107-M113 HydrophobicContact CB-SD 3.86Å; E107-M113 HydrophobicContact CG-CG 4.26Å; E107-M113 PolarHBondContact N-SD 2.87Å |
| 108 | Y | 88.3 | Confident | 86.9 | Confident | 112 Ų | 112 | 59.2 Ų | 59.2 | 44% | 0.439 | 30% | 0.297 | S | S | . | . | trans | -130.5 | -30.3 | 175.1 | 179.7 | -89 | 0 | 0 | 0 | 112.5 | R84 Q86 | R84-Y108 HydrophobicContact CB-CD1 4.12Å; R84-Y108 VanDerWaalsContact CD-CD1 3.47Å; R84-Y108 VanDerWaalsContact CD-CE1 3.41Å; R84-Y108 HydrophobicContact CG-CD1 3.56Å; R84-Y108 HydrophobicContact CG-CE1 4.05Å; R84-Y108 HydrophobicContact CG-CG 4.35Å; R84-Y108 VanDerWaalsContact NE-CE1 3.28Å; Q86-Y108 HydrophobicContact CB-CD2 4.11Å | ||
| 109 | Y | 83.5 | Confident | 88.1 | Confident | 151 Ų | 151 | 62 Ų | 62 | 59% | 0.592 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -136.1 | 127.5 | -176.4 | -174.5 | -99.9 | 0 | 0 | 0 | 113.2 | E107 R111 S112 | E107-Y109 VanDerWaalsContact OE1-CA 3.29Å; E107-Y109 WeakPolarHBondContact OE1-CA 3.43Å; E107-Y109 PolarHBondContact OE1-N 3.21Å; Y109-R111 VanDerWaalsContact C-N 3.27Å; Y109-R111 PolarHBondContact O-N 3.39Å; Y109-S112 PolarHBondContact O-N 2.97Å; Y109-S112 VanDerWaalsContact O-N 3.17Å |
| 110 | N | 84.1 | Confident | 89.4 | Confident | 131 Ų | 131 | 59.7 Ų | 59.7 | 70% | 0.701 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 33.1 | 168.3 | -163.5 | 42.3 | 0 | 0 | 0 | 115.2 | E107 S112 | E107-N110 PolarHBondContact OE1-N 2.95Å; E107-N110 VanDerWaalsContact OE1-N 3.15Å; N110-S112 PolarHBondContact O-N 2.93Å |
| 111 | R | 82.4 | Confident | 90.3 | Very high | 211 Ų | 211 | 56.9 Ų | 56.9 | 80% | 0.796 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 25 | -178.7 | -58.4 | -172.8 | -176.1 | -144.5 | 0.1 | 113.3 | E107 Y109 | E107-R111 WeakPolarHBondContact OE1-CA 3.4Å; E107-R111 PolarHBondContact OE1-N 2.94Å; Y109-R111 VanDerWaalsContact C-N 3.27Å; Y109-R111 PolarHBondContact O-N 3.39Å |
| 112 | S | 87.7 | Confident | 91 | Very high | 47 Ų | 47 | 56.2 Ų | 56.2 | 33% | 0.329 | 30% | 0.303 | S | S | . | . | trans | -101.4 | 123.7 | -174.1 | -179.6 | 0 | 0 | 0 | 0 | 110.9 | T83 Y109 N110 | T83-S112 VanDerWaalsContact CB-OG 3.31Å; T83-S112 WeakPolarHBondContact CB-OG 3.39Å; T83-S112 WeakPolarHBondContact CG2-O 3.37Å; T83-S112 WeakPolarHBondContact OG1-CB 3.41Å; T83-S112 PolarHBondContact OG1-O 3.09Å; T83-S112 PolarHBondContact OG1-OG 3.22Å; Y109-S112 PolarHBondContact O-N 2.97Å; Y109-S112 VanDerWaalsContact O-N 3.17Å; N110-S112 PolarHBondContact O-N 2.93Å | ||
| 113 | M | 91.2 | Very high | 91.4 | Very high | 30 Ų | 30 | 56 Ų | 56 | 15% | 0.148 | 30% | 0.301 | C | S | . | . | trans | -136.4 | 156.9 | -177 | -76.1 | -66.3 | -75.2 | 0 | 0 | 111 | V85 I105 R106 E107 P150 A152 | V85-M113 HydrophobicContact CG1-SD 4.24Å; I105-M113 HydrophobicContact CD1-CE 3.64Å; I105-M113 HydrophobicContact CD1-SD 4.11Å; I105-M113 HydrophobicContact CG1-CE 4.14Å; R106-M113 VanDerWaalsContact C-SD 3.6Å; E107-M113 WeakPolarHBondContact CA-SD 3.28Å; E107-M113 HydrophobicContact CB-CG 3.85Å; E107-M113 HydrophobicContact CB-SD 3.86Å; E107-M113 HydrophobicContact CG-CG 4.26Å; E107-M113 PolarHBondContact N-SD 2.87Å; M113-P150 WeakPolarHBondContact CE-O 3.28Å; M113-P150 HydrophobicContact CG-CG 4.23Å; M113-A152 HydrophobicContact CE-CB 4.15Å | ||
| 114 | P | 92.3 | Very high | 91.6 | Very high | 7 Ų | 7 | 56.8 Ų | 56.8 | 5% | 0.045 | 30% | 0.304 | C | S | . | . | trans | -58.5 | 148.9 | 169.8 | -18.4 | 29.8 | 0 | 0 | 0 | 111.9 | A65 I105 D118 L137 Y154 | A65-P114 HydrophobicContact CB-CG 3.66Å; I105-P114 HydrophobicContact CD1-CG 4.21Å; P114-D118 HydrophobicContact CB-CB 4.27Å; P114-L137 HydrophobicContact CB-CD1 4.43Å; P114-L137 HydrophobicContact CB-CD2 3.67Å; P114-Y154 WeakPolarHBondContact CG-OH 3.23Å | ||
| 115 | C | 90.1 | Very high | 91.9 | Very high | 9 Ų | 9 | 56.7 Ų | 56.7 | 6% | 0.061 | 30% | 0.303 | C | S | . | . | trans | -140.6 | -170 | 179.2 | -156 | 0 | 0 | 0 | 0 | 113.8 | G117 D118 C144 | C115-G117 PolarHBondContact O-N 2.7Å; C115-D118 PolarHBondContact N-OD2 2.88Å; C115-D118 WeakPolarHBondContact O-CB 3.33Å; C115-D118 PolarHBondContact O-N 2.89Å; C115-C144 HydrophobicContact CB-CB 3.87Å; C115-C144 WeakPolarHBondContact CB-SG 3.06Å; C115-C144 WeakPolarHBondContact SG-CA 3.08Å; C115-C144 WeakPolarHBondContact SG-CB 3.26Å; C115-C144 PolarHBondContact SG-N 3.44Å; C115-C144 VanDerWaalsContact SG-N 3.4Å; C115-C144 CovalentContact SG-SG 2.01Å; C115-C144 PolarHBondContact SG-SG 3.08Å | ||
| 116 | T | 90.3 | Very high | 92 | Very high | 59 Ų | 59 | 59.1 Ų | 59.1 | 36% | 0.362 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 125.1 | 178 | -47.5 | 0 | 0 | 0 | 0 | 111 | G69 R70 | G69-T116 WeakPolarHBondContact CA-O 3.26Å; R70-T116 PolarHBondContact N-O 2.99Å |
| 117 | G | 91.9 | Very high | 92.2 | Very high | 51 Ų | 51 | 55.6 Ų | 55.6 | 53% | 0.526 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.9 | -10.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | C115 S119 | C115-G117 PolarHBondContact O-N 2.7Å; G117-S119 VanDerWaalsContact C-N 3.3Å |
| 118 | D | 94.9 | Very high | 92.4 | Very high | 19 Ų | 19 | 58.3 Ų | 58.3 | 10% | 0.102 | 32% | 0.318 | C | S | . | . | trans | -84.6 | -2.4 | 169.8 | -65.1 | -45.1 | 0 | 0 | 0 | 112.9 | G67 W68 G69 P114 C115 G120 G121 L137 | G67-D118 VanDerWaalsContact C-OD1 3.31Å; G67-D118 VanDerWaalsContact CA-OD1 3.24Å; G67-D118 WeakPolarHBondContact CA-OD1 3.42Å; W68-D118 PolarHBondContact N-OD1 3.22Å; W68-D118 VanDerWaalsContact N-OD1 3.16Å; G69-D118 VanDerWaalsContact CA-OD1 3.29Å; G69-D118 WeakPolarHBondContact CA-OD1 3.4Å; G69-D118 PolarHBondContact N-OD1 2.83Å; P114-D118 HydrophobicContact CB-CB 4.27Å; C115-D118 PolarHBondContact N-OD2 2.88Å; C115-D118 WeakPolarHBondContact O-CB 3.33Å; C115-D118 PolarHBondContact O-N 2.89Å; D118-G120 PolarHBondContact O-N 3.46Å; D118-G121 VanDerWaalsContact O-CA 3.28Å; D118-G121 WeakPolarHBondContact O-CA 3.23Å; D118-G121 PolarHBondContact O-N 3.19Å; D118-L137 HydrophobicContact CB-CD2 3.67Å; D118-L137 WeakPolarHBondContact O-CD2 3.1Å | ||
| 119 | S | 94.3 | Very high | 92.6 | Very high | 88 Ų | 88 | 55.7 Ų | 55.7 | 62% | 0.615 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 134.4 | 178.8 | -60.7 | 0 | 0 | 0 | 0 | 111.3 | G117 G121 | G117-S119 VanDerWaalsContact C-N 3.3Å; S119-G121 PolarHBondContact O-N 3.06Å |
| 120 | G | 95.2 | Very high | 93.2 | Very high | 52 Ų | 52 | 55.6 Ų | 55.6 | 54% | 0.536 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.9 | -7.2 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | D118 L137 | D118-G120 PolarHBondContact O-N 3.46Å; G120-L137 PolarHBondContact N-O 2.95Å |
| 121 | G | 96.3 | Very high | 93.8 | Very high | 12 Ų | 12 | 54.4 Ų | 54.4 | 12% | 0.124 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -69 | 151.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | D118 S119 L137 | D118-G121 VanDerWaalsContact O-CA 3.28Å; D118-G121 WeakPolarHBondContact O-CA 3.23Å; D118-G121 PolarHBondContact O-N 3.19Å; S119-G121 PolarHBondContact O-N 3.06Å; G121-L137 PolarHBondContact O-N 2.87Å |
| 122 | P | 97.7 | Very high | 94.6 | Very high | 48 Ų | 48 | 45.2 Ų | 45.2 | 31% | 0.312 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 142.8 | -174.2 | 32.2 | -35.9 | 0 | 0 | 0 | 112.5 | A65 F124 G135 | A65-P122 WeakPolarHBondContact CA-O 3.48Å; P122-F124 HydrophobicContact CB-CD1 4.02Å; P122-F124 HydrophobicContact CG-CD1 3.96Å; P122-F124 HydrophobicContact CG-CE1 4.25Å; P122-G135 WeakPolarHBondContact CA-O 2.98Å |
| 123 | L | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 122.3 | 149.1 | 169.9 | 65.9 | 0 | 0 | 0 | 107 | C63 F64 V85 I87 L103 I105 A133 L134 G135 Y154 | C63-L123 HydrophobicContact CB-CD1 4.22Å; F64-L123 WeakPolarHBondContact O-CA 3.48Å; V85-L123 HydrophobicContact CG2-CD1 3.64Å; I87-L123 HydrophobicContact CD1-CD2 4.05Å; I87-L123 HydrophobicContact CG1-CD2 4.09Å; L103-L123 HydrophobicContact CB-CD2 4.23Å; L103-L123 HydrophobicContact CD1-CD2 3.88Å; I105-L123 HydrophobicContact CG2-CD1 4.03Å; I105-L123 HydrophobicContact CG2-CD2 3.8Å; L123-A133 CarbonylContact O-C 3.51Å; L123-L134 PolarHBondContact O-N 2.83Å; L123-G135 PolarHBondContact N-O 3.47Å; L123-G135 PolarHBondContact O-N 2.79Å; L123-Y154 HydrophobicContact CB-CD1 3.3Å; L123-Y154 HydrophobicContact CB-CD2 4.28Å; L123-Y154 HydrophobicContact CB-CE1 3.41Å; L123-Y154 VanDerWaalsContact CB-CE1 3.41Å; L123-Y154 HydrophobicContact CB-CE2 4.36Å; L123-Y154 HydrophobicContact CB-CG 3.78Å; L123-Y154 HydrophobicContact CD2-CD1 4.45Å; L123-Y154 HydrophobicContact CD2-CD2 4.26Å; L123-Y154 HydrophobicContact CD2-CG 4.08Å; L123-Y154 HydrophobicContact CG-CD1 4.5Å |
| 124 | F | 98.2 | Very high | 95.4 | Very high | 25 Ų | 25 | 42.1 Ų | 42.1 | 11% | 0.11 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 145.5 | -178.3 | 59.9 | -78.4 | 0 | 0 | 0 | 112.3 | I48 C63 F64 A66 P122 Y131 F132 | I48-F124 HydrophobicContact CD1-CB 3.53Å; I48-F124 HydrophobicContact CD1-CD2 4.4Å; I48-F124 HydrophobicContact CD1-CG 4.06Å; C63-F124 CarbonylContact C-O 3.56Å; C63-F124 WeakPolarHBondContact CA-O 3.25Å; F64-F124 HydrophobicContact CB-CD1 4.32Å; F64-F124 HydrophobicContact CB-CD2 4.18Å; F64-F124 HydrophobicContact CB-CE1 3.8Å; F64-F124 HydrophobicContact CB-CE2 3.66Å; F64-F124 HydrophobicContact CB-CG 4.49Å; F64-F124 HydrophobicContact CB-CZ 3.45Å; F64-F124 VanDerWaalsContact CB-CZ 3.45Å; F64-F124 HydrophobicContact CD2-CD2 4.38Å; F64-F124 HydrophobicContact CD2-CE2 4.07Å; F64-F124 HydrophobicContact CG-CE2 4.11Å; F64-F124 HydrophobicContact CG-CZ 4.27Å; F64-F124 PolarHBondContact N-O 2.85Å; F64-F124 WeakPolarHBondContact O-CD1 3.29Å; F64-F124 PolarHBondContact O-N 2.99Å; A66-F124 HydrophobicContact CB-CE1 3.77Å; A66-F124 HydrophobicContact CB-CZ 4.29Å; P122-F124 HydrophobicContact CB-CD1 4.02Å; P122-F124 HydrophobicContact CG-CD1 3.96Å; P122-F124 HydrophobicContact CG-CE1 4.25Å; F124-Y131 AromaticContact CD2-CD1 3.71Å; F124-Y131 HydrophobicContact CD2-CD1 3.71Å; F124-Y131 HydrophobicContact CD2-CE1 4.32Å; F124-Y131 HydrophobicContact CD2-CG 4.28Å; F124-Y131 HydrophobicContact CE2-CD1 4.17Å; F124-Y131 HydrophobicContact CE2-CE1 4.39Å; F124-F132 CarbonylContact C-O 3.45Å; F124-F132 WeakPolarHBondContact CA-O 3.19Å; F124-F132 VanDerWaalsContact CB-O 3.25Å; F124-F132 WeakPolarHBondContact CB-O 3.47Å |
| 125 | C | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 147.7 | -177.4 | -50.6 | 0 | 0 | 0 | 0 | 111.5 | L60 K62 C63 Y131 F132 L134 | L60-C125 HydrophobicContact CD2-CB 4.2Å; K62-C125 CarbonylContact O-C 3.54Å; K62-C125 WeakPolarHBondContact O-CA 3.26Å; C63-C125 HydrophobicContact CB-CB 4.12Å; C63-C125 WeakPolarHBondContact CB-SG 3.24Å; C63-C125 WeakPolarHBondContact SG-CB 3.15Å; C63-C125 CovalentContact SG-SG 2.04Å; C63-C125 PolarHBondContact SG-SG 3.38Å; C125-Y131 WeakPolarHBondContact O-CA 3.36Å; C125-F132 PolarHBondContact N-O 3.38Å; C125-F132 PolarHBondContact O-N 3.06Å; C125-L134 HydrophobicContact CB-CD1 4.14Å; C125-L134 HydrophobicContact CB-CD2 4.39Å |
| 126 | E | 97 | Very high | 95.9 | Very high | 51 Ų | 51 | 43 Ų | 43 | 24% | 0.238 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 122.7 | 172 | -165.1 | -166.8 | 164.3 | 0 | 0 | 109.9 | K62 R130 Y131 | K62-E126 HydrophobicContact CB-CB 4.06Å; K62-E126 HydrophobicContact CD-CB 4.24Å; K62-E126 WeakPolarHBondContact CD-OE2 3.28Å; K62-E126 IonicContact NZ-OE1 2.73Å; K62-E126 IonicContact NZ-OE2 3.69Å; K62-E126 PolarHBondContact NZ-OE2 3.33Å; K62-E126 PolarHBondContact O-N 3.23Å; E126-R130 CarbonylContact C-O 3.56Å; E126-R130 WeakPolarHBondContact CA-O 3.38Å; E126-Y131 HydrophobicContact CB-CD1 4.06Å; E126-Y131 HydrophobicContact CB-CE1 3.7Å; E126-Y131 HydrophobicContact CG-CE1 4.23Å |
| 127 | I | 96.2 | Very high | 96.2 | Very high | 7 Ų | 7 | 40.4 Ų | 40.4 | 4% | 0.036 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 115.3 | 179 | -53.7 | 173.8 | 0 | 0 | 0 | 107.3 | T55 R58 L60 G129 R130 F132 L134 | T55-I127 WeakPolarHBondContact O-CD1 3.31Å; R58-I127 VanDerWaalsContact NH1-CG2 3.31Å; L60-I127 HydrophobicContact CD2-CD1 3.78Å; L60-I127 HydrophobicContact CD2-CG1 4.1Å; I127-G129 VanDerWaalsContact C-N 3.32Å; I127-G129 PolarHBondContact O-N 3.42Å; I127-R130 PolarHBondContact N-O 3.4Å; I127-R130 PolarHBondContact O-N 2.9Å; I127-R130 VanDerWaalsContact O-N 3.13Å; I127-F132 HydrophobicContact CB-CD2 3.85Å; I127-F132 HydrophobicContact CB-CE2 3.95Å; I127-F132 HydrophobicContact CD1-CB 4.3Å; I127-F132 HydrophobicContact CD1-CD2 3.96Å; I127-F132 HydrophobicContact CD1-CG 4.26Å; I127-F132 HydrophobicContact CG1-CD2 4.16Å; I127-L134 HydrophobicContact CD1-CD1 4.26Å |
| 128 | D | 92.2 | Very high | 96.2 | Very high | 115 Ų | 115 | 39 Ų | 39 | 62% | 0.615 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 47.2 | -174.2 | -65.9 | -16.7 | 0 | 0 | 0 | 114.1 | R58 R130 | R58-D128 IonicContact CZ-OD1 3.89Å; R58-D128 IonicContact CZ-OD2 2.79Å; R58-D128 VanDerWaalsContact NH1-CG 3.25Å; R58-D128 IonicContact NH1-OD1 3.21Å; R58-D128 IonicContact NH1-OD2 3.43Å; R58-D128 PolarHBondContact NH1-OD2 2.95Å; R58-D128 IonicContact NH2-OD1 2.83Å; R58-D128 PolarHBondContact NH2-OD1 2.85Å; R58-D128 IonicContact NH2-OD2 2.6Å; R58-D128 PolarHBondContact NH2-OD2 3.23Å; D128-R130 PolarHBondContact O-N 2.01Å |
| 129 | G | 93.2 | Very high | 96 | Very high | 56 Ų | 56 | 41.1 Ų | 41.1 | 58% | 0.577 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.5 | 13.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | I127 | I127-G129 VanDerWaalsContact C-N 3.32Å; I127-G129 PolarHBondContact O-N 3.42Å |
| 130 | R | 95.5 | Very high | 95.6 | Very high | 149 Ų | 149 | 38.3 Ų | 38.3 | 56% | 0.562 | 23% | 0.225 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 146.8 | 174.4 | -67.9 | -173.8 | -69.3 | -177.4 | -2.4 | 111.5 | E126 I127 D128 F132 | E126-R130 CarbonylContact C-O 3.56Å; E126-R130 WeakPolarHBondContact CA-O 3.38Å; I127-R130 PolarHBondContact N-O 3.4Å; I127-R130 PolarHBondContact O-N 2.9Å; I127-R130 VanDerWaalsContact O-N 3.13Å; D128-R130 PolarHBondContact O-N 2.01Å; R130-F132 HydrophobicContact CB-CE2 3.88Å |
| 131 | Y | 97.6 | Very high | 94.7 | Very high | 107 Ų | 107 | 36.7 Ų | 36.7 | 42% | 0.42 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 131.7 | 176.7 | -68.1 | -78.5 | 0 | 0 | 0 | 111.7 | I48 C49 F64 F124 C125 E126 | I48-Y131 VanDerWaalsContact CG1-O 3.29Å; I48-Y131 WeakPolarHBondContact CG1-O 3.27Å; C49-Y131 WeakPolarHBondContact CB-O 3.34Å; C49-Y131 PolarHBondContact N-O 3.29Å; C49-Y131 VanDerWaalsContact N-O 3.1Å; F64-Y131 HydrophobicContact CD2-CE1 4.13Å; F64-Y131 AromaticContact CE2-CE1 3.95Å; F64-Y131 HydrophobicContact CE2-CE1 3.95Å; F124-Y131 AromaticContact CD2-CD1 3.71Å; F124-Y131 HydrophobicContact CD2-CD1 3.71Å; F124-Y131 HydrophobicContact CD2-CE1 4.32Å; F124-Y131 HydrophobicContact CD2-CG 4.28Å; F124-Y131 HydrophobicContact CE2-CD1 4.17Å; F124-Y131 HydrophobicContact CE2-CE1 4.39Å; C125-Y131 WeakPolarHBondContact O-CA 3.36Å; E126-Y131 HydrophobicContact CB-CD1 4.06Å; E126-Y131 HydrophobicContact CB-CE1 3.7Å; E126-Y131 HydrophobicContact CG-CE1 4.23Å |
| 132 | F | 98.3 | Very high | 93.7 | Very high | 17 Ų | 17 | 40 Ų | 40 | 8% | 0.075 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 138.2 | 176.6 | -69.6 | -100.5 | 0 | 0 | 0 | 110.3 | C49 P51 T55 F124 C125 I127 R130 L134 | C49-F132 HydrophobicContact CB-CB 4.47Å; C49-F132 HydrophobicContact CB-CD1 3.28Å; C49-F132 HydrophobicContact CB-CD2 4.23Å; C49-F132 HydrophobicContact CB-CE1 3.35Å; C49-F132 HydrophobicContact CB-CE2 4.29Å; C49-F132 HydrophobicContact CB-CG 3.75Å; C49-F132 HydrophobicContact CB-CZ 3.88Å; C49-F132 CarbonylContact O-C 3.54Å; C49-F132 VanDerWaalsContact O-CA 3.3Å; C49-F132 WeakPolarHBondContact O-CA 3.47Å; P51-F132 HydrophobicContact CB-CB 4.49Å; T55-F132 HydrophobicContact CG2-CD1 4.13Å; T55-F132 HydrophobicContact CG2-CE1 3.72Å; T55-F132 HydrophobicContact CG2-CZ 4Å; F124-F132 CarbonylContact C-O 3.45Å; F124-F132 WeakPolarHBondContact CA-O 3.19Å; F124-F132 VanDerWaalsContact CB-O 3.25Å; F124-F132 WeakPolarHBondContact CB-O 3.47Å; C125-F132 PolarHBondContact N-O 3.38Å; C125-F132 PolarHBondContact O-N 3.06Å; I127-F132 HydrophobicContact CB-CD2 3.85Å; I127-F132 HydrophobicContact CB-CE2 3.95Å; I127-F132 HydrophobicContact CD1-CB 4.3Å; I127-F132 HydrophobicContact CD1-CD2 3.96Å; I127-F132 HydrophobicContact CD1-CG 4.26Å; I127-F132 HydrophobicContact CG1-CD2 4.16Å; R130-F132 HydrophobicContact CB-CE2 3.88Å; F132-L134 HydrophobicContact CB-CD1 3.56Å; F132-L134 WeakPolarHBondContact O-CD1 3.37Å; F132-L134 PolarHBondContact O-N 2.98Å |
| 133 | A | 97.8 | Very high | 92.6 | Very high | 13 Ų | 13 | 42.2 Ų | 42.2 | 11% | 0.107 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 87.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | I48 C49 P51 L123 M157 | I48-A133 HydrophobicContact CD1-CB 4.05Å; I48-A133 HydrophobicContact CG1-CB 4.26Å; I48-A133 HydrophobicContact CG2-CB 3.77Å; C49-A133 PolarHBondContact O-N 3.3Å; P51-A133 WeakPolarHBondContact CD-O 3.32Å; P51-A133 WeakPolarHBondContact CG-O 3.3Å; L123-A133 CarbonylContact O-C 3.51Å; A133-M157 WeakPolarHBondContact O-CB 3.38Å; A133-M157 WeakPolarHBondContact O-CG 3.24Å |
| 134 | L | 97.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | -25.7 | -175.7 | -88.2 | 73.2 | 0 | 0 | 0 | 113.6 | P51 T56 L60 I87 L103 L123 C125 I127 F132 M157 | P51-L134 HydrophobicContact CB-CD1 4.43Å; T56-L134 HydrophobicContact CG2-CD2 4.12Å; T56-L134 HydrophobicContact CG2-CG 4.03Å; L60-L134 HydrophobicContact CD1-CD2 3.48Å; L60-L134 VanDerWaalsContact CD1-CD2 3.48Å; L60-L134 HydrophobicContact CD2-CD2 3.71Å; L60-L134 HydrophobicContact CG-CD2 4.22Å; I87-L134 HydrophobicContact CD1-CD2 4.12Å; L103-L134 HydrophobicContact CD1-CB 3.99Å; L103-L134 VanDerWaalsContact CD1-O 3.26Å; L103-L134 WeakPolarHBondContact CD1-O 3.11Å; L123-L134 PolarHBondContact O-N 2.83Å; C125-L134 HydrophobicContact CB-CD1 4.14Å; C125-L134 HydrophobicContact CB-CD2 4.39Å; I127-L134 HydrophobicContact CD1-CD1 4.26Å; F132-L134 HydrophobicContact CB-CD1 3.56Å; F132-L134 WeakPolarHBondContact O-CD1 3.37Å; F132-L134 PolarHBondContact O-N 2.98Å; L134-M157 WeakPolarHBondContact O-CB 3.4Å; L134-M157 PolarHBondContact O-N 2.94Å |
| 135 | G | 97.1 | Very high | 90.3 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 164.3 | -179 | 0 | 0 | 0 | 0 | 0 | 115.5 | P122 L123 V155 | P122-G135 WeakPolarHBondContact CA-O 2.98Å; L123-G135 PolarHBondContact N-O 3.47Å; L123-G135 PolarHBondContact O-N 2.79Å; G135-V155 WeakPolarHBondContact CA-O 3.04Å |
| 136 | V | 97.2 | Very high | 88.6 | Confident | 32 Ų | 32 | 52.3 Ų | 52.3 | 19% | 0.194 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 126.2 | 172.2 | 178.3 | 0 | 0 | 0 | 0 | 108.2 | S138 Y154 V155 M157 | V136-S138 PolarHBondContact O-N 3.19Å; V136-Y154 CarbonylContact O-C 3.59Å; V136-Y154 VanDerWaalsContact O-CA 3.23Å; V136-Y154 WeakPolarHBondContact O-CA 3.39Å; V136-V155 HydrophobicContact CB-CB 4.48Å; V136-V155 PolarHBondContact N-O 2.75Å; V136-V155 PolarHBondContact O-N 2.91Å; V136-M157 HydrophobicContact CG2-CG 4.22Å; V136-M157 HydrophobicContact CG2-SD 3.64Å |
| 137 | L | 95.6 | Very high | 86.8 | Confident | 5 Ų | 5 | 58.5 Ų | 58.5 | 3% | 0.026 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 121.6 | -176.2 | -178.3 | 64.2 | 0 | 0 | 0 | 109.8 | P114 D118 G120 G121 A152 Y154 | P114-L137 HydrophobicContact CB-CD1 4.43Å; P114-L137 HydrophobicContact CB-CD2 3.67Å; D118-L137 HydrophobicContact CB-CD2 3.67Å; D118-L137 WeakPolarHBondContact O-CD2 3.1Å; G120-L137 PolarHBondContact N-O 2.95Å; G121-L137 PolarHBondContact O-N 2.87Å; L137-A152 HydrophobicContact CD1-CB 4.04Å; L137-Y154 VanDerWaalsContact CA-CD1 3.48Å; L137-Y154 HydrophobicContact CB-CD1 4.03Å; L137-Y154 HydrophobicContact CB-CE1 3.54Å; L137-Y154 HydrophobicContact CD1-CD2 4.12Å; L137-Y154 HydrophobicContact CD1-CE1 4.15Å; L137-Y154 HydrophobicContact CD1-CE2 3.62Å; L137-Y154 HydrophobicContact CG-CE1 4.41Å |
| 138 | S | 93.1 | Very high | 85.3 | Confident | 22 Ų | 22 | 66 Ų | 66 | 15% | 0.154 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | -44.9 | -178.8 | 175.1 | 0 | 0 | 0 | 0 | 111.4 | D29 V136 F153 | D29-S138 WeakPolarHBondContact CB-OG 3.29Å; D29-S138 WeakPolarHBondContact OD2-CA 3.15Å; D29-S138 VanDerWaalsContact OD2-CB 3.24Å; D29-S138 WeakPolarHBondContact OD2-CB 3.2Å; D29-S138 PolarHBondContact OD2-OG 3.04Å; V136-S138 PolarHBondContact O-N 3.19Å; S138-F153 PolarHBondContact N-O 3.17Å |
| 139 | L | 89.3 | Confident | 84.4 | Confident | 63 Ų | 63 | 68.3 Ų | 68.3 | 33% | 0.33 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 135.5 | 179.3 | 180 | 66.5 | 0 | 0 | 0 | 110 | A152 F153 | L139-A152 CarbonylContact O-C 3.6Å; L139-A152 WeakPolarHBondContact O-CA 3.43Å; L139-F153 HydrophobicContact CB-CB 4.17Å; L139-F153 HydrophobicContact CB-CD2 4.24Å; L139-F153 HydrophobicContact CD2-CD2 3.8Å; L139-F153 HydrophobicContact CD2-CE2 4.25Å; L139-F153 HydrophobicContact CG-CD2 4.15Å; L139-F153 PolarHBondContact N-O 2.93Å; L139-F153 VanDerWaalsContact N-O 3.11Å; L139-F153 PolarHBondContact O-N 2.98Å |
| 140 | G | 85.5 | Confident | 83.9 | Confident | 29 Ų | 29 | 67 Ų | 67 | 30% | 0.299 | 36% | 0.356 | S | S | . | . | trans | -143.8 | 179.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 141 | P | 77.9 | Confident | 83.6 | Confident | 19 Ų | 19 | 62.1 Ų | 62.1 | 12% | 0.123 | 34% | 0.341 | C | S | . | . | trans | -61 | 143.1 | 179.3 | 26.4 | -34.3 | 0 | 0 | 0 | 111.3 | N143 P150 | P141-N143 VanDerWaalsContact C-N 3.34Å; P141-P150 HydrophobicContact CB-CB 3.92Å; P141-P150 HydrophobicContact CG-CB 4.13Å | ||
| 142 | A | 73.3 | Confident | 83.4 | Confident | 80 Ų | 80 | 57 Ų | 57 | 66% | 0.661 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -70.2 | -32.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 143 | N | 76.3 | Confident | 83.1 | Confident | 95 Ų | 95 | 56.8 Ų | 56.8 | 51% | 0.508 | 32% | 0.32 | S | S | . | . | trans | -116.2 | 135.5 | 178.6 | -61.3 | -51.4 | 0 | 0 | 0 | 111 | P141 S145 E146 | P141-N143 VanDerWaalsContact C-N 3.34Å; N143-S145 PolarHBondContact O-N 3.32Å; N143-E146 HydrophobicContact CB-CG 3.88Å; N143-E146 WeakPolarHBondContact CB-OE1 3.48Å; N143-E146 PolarHBondContact ND2-OE1 2.86Å | ||
| 144 | C | 77 | Confident | 83 | Confident | 47 Ų | 47 | 56.3 Ų | 56.3 | 32% | 0.318 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -6.3 | 177.5 | -44.1 | 0 | 0 | 0 | 0 | 113.7 | R70 C115 | R70-C144 VanDerWaalsContact CB-SG 3.57Å; C115-C144 HydrophobicContact CB-CB 3.87Å; C115-C144 WeakPolarHBondContact CB-SG 3.06Å; C115-C144 WeakPolarHBondContact SG-CA 3.08Å; C115-C144 WeakPolarHBondContact SG-CB 3.26Å; C115-C144 PolarHBondContact SG-N 3.44Å; C115-C144 VanDerWaalsContact SG-N 3.4Å; C115-C144 CovalentContact SG-SG 2.01Å; C115-C144 PolarHBondContact SG-SG 3.08Å |
| 145 | S | 70.9 | Confident | 82.8 | Confident | 99 Ų | 99 | 56.7 Ų | 56.7 | 69% | 0.692 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.8 | 11.8 | -172.7 | -53.5 | 0 | 0 | 0 | 0 | 113.6 | N143 | N143-S145 PolarHBondContact O-N 3.32Š|
| 146 | E | 62.2 | Low | 82.7 | Confident | 91 Ų | 91 | 59.6 Ų | 59.6 | 43% | 0.425 | 33% | 0.328 | S | S | . | . | trans | -68.6 | 138.6 | -174.5 | -88.8 | 168.2 | -162.4 | 0 | 0 | 112.8 | N143 | N143-E146 HydrophobicContact CB-CG 3.88Å; N143-E146 WeakPolarHBondContact CB-OE1 3.48Å; N143-E146 PolarHBondContact ND2-OE1 2.86Å | ||
| 147 | Q | 58.5 | Low | 82.7 | Confident | 182 Ų | 182 | 58.9 Ų | 58.9 | 85% | 0.85 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -85.5 | -10.5 | -179.2 | -72.5 | 179.7 | -12.1 | 0 | 0 | 113.4 | ||
| 148 | E | 65.9 | Low | 82.7 | Confident | 164 Ų | 164 | 59 Ų | 59 | 77% | 0.766 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -87.4 | 155.4 | 175.5 | -63.8 | -171.1 | 170 | 0 | 0 | 110.7 | P150 | E148-P150 WeakPolarHBondContact O-CD 3.35Å; E148-P150 WeakPolarHBondContact O-CG 3.35Å |
| 149 | E | 73.1 | Confident | 82.8 | Confident | 163 Ų | 163 | 61.1 Ų | 61.1 | 76% | 0.762 | 33% | 0.333 | S | S | * | . | trans | -63.7 | 92.8 | 176.9 | -64.7 | -177.1 | 176.8 | 0 | 0 | 109.7 | ||||
| 150 | P | 82.6 | Confident | 83.1 | Confident | 30 Ų | 30 | 58.8 Ų | 58.8 | 20% | 0.195 | 32% | 0.32 | C | S | . | . | trans | -78.3 | 147.4 | -171.4 | 18.2 | -2.4 | 0 | 0 | 0 | 108.8 | M113 P141 E148 | M113-P150 WeakPolarHBondContact CE-O 3.28Å; M113-P150 HydrophobicContact CG-CG 4.23Å; P141-P150 HydrophobicContact CB-CB 3.92Å; P141-P150 HydrophobicContact CG-CB 4.13Å; E148-P150 WeakPolarHBondContact O-CD 3.35Å; E148-P150 WeakPolarHBondContact O-CG 3.35Å | ||
| 151 | L | 89.1 | Confident | 83.7 | Confident | 46 Ų | 46 | 60.7 Ų | 60.7 | 24% | 0.241 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 151.8 | 172.7 | -61.9 | 172.8 | 0 | 0 | 0 | 110 | C93 I105 R106 | C93-L151 HydrophobicContact CB-CD1 3.8Å; I105-L151 WeakPolarHBondContact O-CA 3.45Å; I105-L151 WeakPolarHBondContact O-CD2 3.44Å; R106-L151 HydrophobicContact CB-CD2 3.84Å |
| 152 | A | 92 | Very high | 84.6 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 145.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | C104 I105 M113 L137 L139 Y154 | C104-A152 WeakPolarHBondContact CA-O 3.42Å; I105-A152 HydrophobicContact CD1-CB 4.04Å; I105-A152 HydrophobicContact CG1-CB 3.78Å; I105-A152 WeakPolarHBondContact CG1-O 3.22Å; I105-A152 PolarHBondContact N-O 3.29Å; I105-A152 PolarHBondContact O-N 3.17Å; I105-A152 VanDerWaalsContact O-N 3.14Å; M113-A152 HydrophobicContact CE-CB 4.15Å; L137-A152 HydrophobicContact CD1-CB 4.04Å; L139-A152 CarbonylContact O-C 3.6Å; L139-A152 WeakPolarHBondContact O-CA 3.43Å; A152-Y154 HydrophobicContact CB-CE2 4.2Å |
| 153 | F | 93 | Very high | 85.7 | Confident | 11 Ų | 11 | 64 Ų | 64 | 5% | 0.048 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 129.4 | -178.1 | -57 | -95.5 | 0 | 0 | 0 | 110.5 | I90 C93 Y95 L103 C104 S138 L139 | I90-F153 HydrophobicContact CD1-CD1 4.37Å; I90-F153 HydrophobicContact CD1-CE1 4.12Å; C93-F153 HydrophobicContact CB-CE1 3.95Å; C93-F153 HydrophobicContact CB-CZ 4.12Å; Y95-F153 HydrophobicContact CD2-CE1 4.42Å; Y95-F153 HydrophobicContact CD2-CE2 4.2Å; Y95-F153 AromaticContact CD2-CZ 3.6Å; Y95-F153 HydrophobicContact CD2-CZ 3.6Å; Y95-F153 HydrophobicContact CE2-CZ 4.37Å; Y95-F153 HydrophobicContact CG-CE1 4.39Å; Y95-F153 AromaticContact CG-CZ 3.98Å; Y95-F153 HydrophobicContact CG-CZ 3.98Å; L103-F153 WeakPolarHBondContact O-CA 3.02Å; C104-F153 HydrophobicContact CB-CD1 4.31Å; C104-F153 HydrophobicContact CB-CE1 4.3Å; S138-F153 PolarHBondContact N-O 3.17Å; L139-F153 HydrophobicContact CB-CB 4.17Å; L139-F153 HydrophobicContact CB-CD2 4.24Å; L139-F153 HydrophobicContact CD2-CD2 3.8Å; L139-F153 HydrophobicContact CD2-CE2 4.25Å; L139-F153 HydrophobicContact CG-CD2 4.15Å; L139-F153 PolarHBondContact N-O 2.93Å; L139-F153 VanDerWaalsContact N-O 3.11Å; L139-F153 PolarHBondContact O-N 2.98Å |
| 154 | Y | 94.9 | Very high | 86.8 | Confident | 3 Ų | 3 | 60 Ų | 60 | 1% | 0.012 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 142.1 | 177.3 | -74.4 | -104.2 | 0 | 0 | 0 | 109.5 | A65 A102 L103 I105 P114 L123 V136 L137 A152 R156 | A65-Y154 VanDerWaalsContact CB-OH 3.32Å; A65-Y154 WeakPolarHBondContact CB-OH 3.29Å; A102-Y154 CarbonylContact C-O 3.52Å; A102-Y154 VanDerWaalsContact CA-O 3.27Å; A102-Y154 WeakPolarHBondContact CA-O 3.15Å; L103-Y154 PolarHBondContact N-O 2.61Å; L103-Y154 PolarHBondContact O-N 2.65Å; I105-Y154 HydrophobicContact CD1-CE2 3.76Å; I105-Y154 HydrophobicContact CG1-CD2 4.11Å; I105-Y154 HydrophobicContact CG1-CE2 3.74Å; I105-Y154 HydrophobicContact CG2-CD2 4.38Å; I105-Y154 HydrophobicContact CG2-CE2 4.49Å; P114-Y154 WeakPolarHBondContact CG-OH 3.23Å; L123-Y154 HydrophobicContact CB-CD1 3.3Å; L123-Y154 HydrophobicContact CB-CD2 4.28Å; L123-Y154 HydrophobicContact CB-CE1 3.41Å; L123-Y154 VanDerWaalsContact CB-CE1 3.41Å; L123-Y154 HydrophobicContact CB-CE2 4.36Å; L123-Y154 HydrophobicContact CB-CG 3.78Å; L123-Y154 HydrophobicContact CD2-CD1 4.45Å; L123-Y154 HydrophobicContact CD2-CD2 4.26Å; L123-Y154 HydrophobicContact CD2-CG 4.08Å; L123-Y154 HydrophobicContact CG-CD1 4.5Å; V136-Y154 CarbonylContact O-C 3.59Å; V136-Y154 VanDerWaalsContact O-CA 3.23Å; V136-Y154 WeakPolarHBondContact O-CA 3.39Å; L137-Y154 VanDerWaalsContact CA-CD1 3.48Å; L137-Y154 HydrophobicContact CB-CD1 4.03Å; L137-Y154 HydrophobicContact CB-CE1 3.54Å; L137-Y154 HydrophobicContact CD1-CD2 4.12Å; L137-Y154 HydrophobicContact CD1-CE1 4.15Å; L137-Y154 HydrophobicContact CD1-CE2 3.62Å; L137-Y154 HydrophobicContact CG-CE1 4.41Å; A152-Y154 HydrophobicContact CB-CE2 4.2Å; Y154-R156 PolarHBondContact O-N 2.74Å |
| 155 | V | 95.1 | Very high | 87.7 | Confident | 9 Ų | 9 | 60.6 Ų | 60.6 | 6% | 0.055 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 131.2 | 165.9 | 177.6 | 0 | 0 | 0 | 0 | 108.7 | D29 I30 G135 V136 M157 Y160 | D29-V155 HydrophobicContact CB-CG2 4.04Å; D29-V155 VanDerWaalsContact O-CG2 3.27Å; D29-V155 WeakPolarHBondContact O-CG2 3.27Å; I30-V155 HydrophobicContact CB-CG1 4.41Å; G135-V155 WeakPolarHBondContact CA-O 3.04Å; V136-V155 HydrophobicContact CB-CB 4.48Å; V136-V155 PolarHBondContact N-O 2.75Å; V136-V155 PolarHBondContact O-N 2.91Å; V155-M157 PolarHBondContact O-N 2.82Å; V155-Y160 HydrophobicContact CG1-CD2 3.83Å; V155-Y160 HydrophobicContact CG1-CE2 3.29Å |
| 156 | R | 94.5 | Very high | 89 | Confident | 61 Ų | 61 | 60.2 Ų | 60.2 | 23% | 0.23 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 100.4 | -178.5 | 178 | 177.1 | -66.4 | -126.6 | 11 | 111 | R101 A102 L103 Y154 D158 N159 Y160 | R101-R156 VanDerWaalsContact O-CB 3.28Å; R101-R156 WeakPolarHBondContact O-CB 3.46Å; R101-R156 PolarHBondContact O-N 2.95Å; R101-R156 VanDerWaalsContact O-N 3.15Å; A102-R156 PolarHBondContact O-NE 2.83Å; A102-R156 PolarHBondContact O-NH2 2.04Å; L103-R156 HydrophobicContact CD2-CG 4.45Å; L103-R156 HydrophobicContact CG-CB 4.12Å; L103-R156 HydrophobicContact CG-CG 4.19Å; Y154-R156 PolarHBondContact O-N 2.74Å; R156-D158 WeakPolarHBondContact CG-OD1 3.37Å; R156-D158 PolarHBondContact O-N 3.15Å; R156-N159 WeakPolarHBondContact O-CB 3.37Å; R156-N159 PolarHBondContact O-N 3.21Å; R156-N159 VanDerWaalsContact O-N 3.16Å; R156-Y160 WeakPolarHBondContact O-CD2 3.38Å |
| 157 | M | 96 | Very high | 90.7 | Very high | 18 Ų | 18 | 56.6 Ų | 56.6 | 9% | 0.089 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -64.8 | -30.4 | -167.8 | -76.1 | -70.9 | -73.4 | 0 | 0 | 115.1 | I30 L50 P51 A133 L134 V136 V155 N159 Y160 Y161 I164 | I30-M157 HydrophobicContact CD1-CE 4.29Å; I30-M157 HydrophobicContact CD1-SD 3.42Å; I30-M157 WeakPolarHBondContact CD1-SD 3.44Å; L50-M157 HydrophobicContact CD1-CE 3.99Å; P51-M157 HydrophobicContact CG-CB 3.64Å; A133-M157 WeakPolarHBondContact O-CB 3.38Å; A133-M157 WeakPolarHBondContact O-CG 3.24Å; L134-M157 WeakPolarHBondContact O-CB 3.4Å; L134-M157 PolarHBondContact O-N 2.94Å; V136-M157 HydrophobicContact CG2-CG 4.22Å; V136-M157 HydrophobicContact CG2-SD 3.64Å; V155-M157 PolarHBondContact O-N 2.82Å; M157-N159 PolarHBondContact O-N 3.33Å; M157-Y160 PolarHBondContact O-N 3.26Å; M157-Y161 PolarHBondContact O-N 3.09Å; M157-I164 HydrophobicContact CE-CD1 3.42Å; M157-I164 VanDerWaalsContact CE-CD1 3.42Å; M157-I164 HydrophobicContact SD-CD1 4.24Å |
| 158 | D | 96 | Very high | 92.5 | Very high | 6 Ų | 6 | 50.5 Ų | 50.5 | 3% | 0.032 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -68.5 | -15.7 | 178.3 | 59.9 | -50.1 | 0 | 0 | 0 | 113.4 | P51 K53 T56 R156 Y160 | P51-D158 HydrophobicContact CB-CB 4.41Å; P51-D158 HydrophobicContact CG-CB 4.44Å; K53-D158 VanDerWaalsContact CD-OD2 3.27Å; K53-D158 WeakPolarHBondContact CD-OD2 3.36Å; K53-D158 VanDerWaalsContact CE-OD2 3.25Å; K53-D158 WeakPolarHBondContact CE-OD2 3.44Å; K53-D158 IonicContact NZ-OD2 3.53Å; K53-D158 PolarHBondContact NZ-OD2 3.17Å; T56-D158 HydrophobicContact CG2-CB 3.75Å; T56-D158 VanDerWaalsContact CG2-CG 3.48Å; T56-D158 PolarHBondContact OG1-OD2 3.34Å; R156-D158 WeakPolarHBondContact CG-OD1 3.37Å; R156-D158 PolarHBondContact O-N 3.15Å; D158-Y160 VanDerWaalsContact C-N 3.28Å |
| 159 | N | 95 | Very high | 94 | Very high | 68 Ų | 68 | 48 Ų | 48 | 36% | 0.364 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -70.8 | -27.1 | 167.5 | -70.9 | -19.5 | 0 | 0 | 0 | 112.6 | K53 A100 R156 M157 | K53-N159 WeakPolarHBondContact CE-OD1 3.16Å; K53-N159 PolarHBondContact NZ-OD1 3.1Å; A100-N159 PolarHBondContact O-ND2 2.96Å; R156-N159 WeakPolarHBondContact O-CB 3.37Å; R156-N159 PolarHBondContact O-N 3.21Å; R156-N159 VanDerWaalsContact O-N 3.16Å; M157-N159 PolarHBondContact O-N 3.33Å |
| 160 | Y | 96.2 | Very high | 95 | Very high | 13 Ų | 13 | 45.7 Ų | 45.7 | 5% | 0.051 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -101.3 | 5.7 | -172.7 | -63.9 | -87.6 | 0 | 0 | 0 | 112.4 | H19 N28 I30 V155 R156 M157 D158 E162 W163 I164 | H19-Y160 HydrophobicContact CB-CE1 4.33Å; H19-Y160 AromaticContact CD2-CE1 3.58Å; N28-Y160 WeakPolarHBondContact CA-OH 3.49Å; N28-Y160 HydrophobicContact CB-CE1 4.34Å; N28-Y160 WeakPolarHBondContact OD1-CE1 3.05Å; N28-Y160 PolarHBondContact OD1-OH 3.03Å; I30-Y160 HydrophobicContact CD1-CD2 4.45Å; I30-Y160 HydrophobicContact CD1-CG 4.19Å; I30-Y160 HydrophobicContact CG2-CD1 3.99Å; I30-Y160 HydrophobicContact CG2-CE1 3.91Å; V155-Y160 HydrophobicContact CG1-CD2 3.83Å; V155-Y160 HydrophobicContact CG1-CE2 3.29Å; R156-Y160 WeakPolarHBondContact O-CD2 3.38Å; M157-Y160 PolarHBondContact O-N 3.26Å; D158-Y160 VanDerWaalsContact C-N 3.28Å; Y160-E162 PolarHBondContact O-N 3.25Å; Y160-W163 HydrophobicContact CD1-CE3 4.12Å; Y160-W163 PolarHBondContact O-N 2.78Å; Y160-I164 WeakPolarHBondContact O-CB 3.36Å; Y160-I164 WeakPolarHBondContact O-CG1 3.47Å; Y160-I164 PolarHBondContact O-N 2.79Å |
| 161 | Y | 97.3 | Very high | 95.5 | Very high | 70 Ų | 70 | 44.6 Ų | 44.6 | 28% | 0.275 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -49.8 | -55.2 | -175.1 | -177.9 | -95.2 | 0 | 0 | 0 | 113 | L50 P51 T52 M157 I164 L165 | L50-Y161 HydrophobicContact CB-CE2 4.47Å; L50-Y161 HydrophobicContact CD2-CD2 3.46Å; L50-Y161 VanDerWaalsContact CD2-CD2 3.46Å; L50-Y161 HydrophobicContact CD2-CE2 3.62Å; L50-Y161 HydrophobicContact CD2-CG 4.36Å; L50-Y161 HydrophobicContact CG-CD2 3.76Å; L50-Y161 HydrophobicContact CG-CE2 4.03Å; P51-Y161 WeakPolarHBondContact O-CD2 3.23Å; T52-Y161 HydrophobicContact CG2-CD2 3.8Å; T52-Y161 HydrophobicContact CG2-CE1 4.32Å; T52-Y161 HydrophobicContact CG2-CE2 3.45Å; T52-Y161 VanDerWaalsContact CG2-CE2 3.45Å; T52-Y161 HydrophobicContact CG2-CG 4.37Å; M157-Y161 PolarHBondContact O-N 3.09Å; Y161-I164 PolarHBondContact O-N 2.98Å; Y161-L165 HydrophobicContact CD1-CD1 4.09Å; Y161-L165 HydrophobicContact CE1-CD1 3.43Å; Y161-L165 VanDerWaalsContact CE1-CD1 3.43Å; Y161-L165 HydrophobicContact CE1-CG 4.28Å; Y161-L165 WeakPolarHBondContact O-CG 2.85Å; Y161-L165 PolarHBondContact O-N 3.23Å; Y161-L165 VanDerWaalsContact O-N 3.09Å |
| 162 | E | 97.5 | Very high | 95.7 | Very high | 121 Ų | 121 | 47.1 Ų | 47.1 | 57% | 0.565 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -65.5 | -44.2 | -179.8 | -63.7 | -57.8 | 158.3 | 0 | 0 | 112 | Y160 I164 L165 D166 | Y160-E162 PolarHBondContact O-N 3.25Å; E162-I164 PolarHBondContact O-N 3.29Å; E162-L165 PolarHBondContact O-N 3.18Å; E162-D166 PolarHBondContact O-N 2.69Å |
| 163 | W | 97.1 | Very high | 95.7 | Very high | 46 Ų | 46 | 57.7 Ų | 57.7 | 17% | 0.174 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.6 | -40.3 | 175.7 | 172.7 | 74.2 | 0 | 0 | 0 | 111.5 | H19 I30 L32 Y160 T167 | H19-W163 HydrophobicContact CB-CD2 4.08Å; H19-W163 HydrophobicContact CB-CE3 4.44Å; H19-W163 HydrophobicContact CB-CH2 4.14Å; H19-W163 HydrophobicContact CB-CZ2 3.74Å; H19-W163 HydrophobicContact CB-CZ3 4.48Å; H19-W163 AromaticContact CE1-CD1 3.64Å; H19-W163 AromaticContact CE1-CG 3.89Å; H19-W163 AromaticContact CG-CE2 3.95Å; H19-W163 AromaticContact CG-NE1 3.96Å; H19-W163 AromaticContact ND1-CD1 3.05Å; H19-W163 AromaticContact ND1-CD2 3.62Å; H19-W163 AromaticContact ND1-CE2 3.52Å; H19-W163 AromaticContact ND1-CG 3.35Å; H19-W163 AromaticContact ND1-NE1 3.11Å; H19-W163 PolarHBondContact ND1-NE1 3.41Å; H19-W163 VanDerWaalsContact ND1-NE1 3.11Å; I30-W163 HydrophobicContact CD1-CZ3 3.91Å; I30-W163 HydrophobicContact CG1-CZ3 4.04Å; I30-W163 HydrophobicContact CG2-CH2 4.27Å; I30-W163 HydrophobicContact CG2-CZ3 4.01Å; L32-W163 HydrophobicContact CD1-CH2 4.12Å; L32-W163 HydrophobicContact CD1-CZ3 4.07Å; L32-W163 HydrophobicContact CG-CH2 3.87Å; L32-W163 HydrophobicContact CG-CZ3 3.95Å; Y160-W163 HydrophobicContact CD1-CE3 4.12Å; Y160-W163 PolarHBondContact O-N 2.78Å; W163-T167 HydrophobicContact CZ2-CG2 4.2Å; W163-T167 PolarHBondContact NE1-OG1 2.86Å; W163-T167 WeakPolarHBondContact O-CB 3.39Å; W163-T167 PolarHBondContact O-N 3.32Å; W163-T167 PolarHBondContact O-OG1 2.95Å |
| 164 | I | 97.9 | Very high | 95.6 | Very high | 12 Ų | 12 | 58.1 Ų | 58.1 | 6% | 0.062 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.9 | -46 | 178.8 | -70.5 | 165 | 0 | 0 | 0 | 110.7 | I30 L32 L50 M157 Y160 Y161 E162 T168 | I30-I164 HydrophobicContact CD1-CD1 4.42Å; L32-I164 HydrophobicContact CD1-CB 4.3Å; L32-I164 HydrophobicContact CD1-CG1 4.25Å; L32-I164 HydrophobicContact CD1-CG2 4.15Å; L32-I164 HydrophobicContact CD2-CG1 4.43Å; L32-I164 HydrophobicContact CD2-CG2 4.35Å; L50-I164 HydrophobicContact CD1-CD1 3.61Å; L50-I164 HydrophobicContact CD1-CG2 4.1Å; L50-I164 HydrophobicContact CD2-CB 4.24Å; L50-I164 HydrophobicContact CD2-CG2 3.82Å; M157-I164 HydrophobicContact CE-CD1 3.42Å; M157-I164 VanDerWaalsContact CE-CD1 3.42Å; M157-I164 HydrophobicContact SD-CD1 4.24Å; Y160-I164 WeakPolarHBondContact O-CB 3.36Å; Y160-I164 WeakPolarHBondContact O-CG1 3.47Å; Y160-I164 PolarHBondContact O-N 2.79Å; Y161-I164 PolarHBondContact O-N 2.98Å; E162-I164 PolarHBondContact O-N 3.29Å; I164-T168 VanDerWaalsContact O-CB 3.26Å; I164-T168 WeakPolarHBondContact O-CB 3.46Å; I164-T168 PolarHBondContact O-N 3.23Å; I164-T168 PolarHBondContact O-OG1 2.63Å |
| 165 | L | 97.9 | Very high | 95.2 | Very high | 59 Ų | 59 | 63 Ų | 63 | 31% | 0.309 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.6 | -46.6 | 179.5 | -68 | -174.2 | 0 | 0 | 0 | 112.1 | L50 Y161 E162 T168 K169 | L50-L165 HydrophobicContact CD2-CD2 4.19Å; Y161-L165 HydrophobicContact CD1-CD1 4.09Å; Y161-L165 HydrophobicContact CE1-CD1 3.43Å; Y161-L165 VanDerWaalsContact CE1-CD1 3.43Å; Y161-L165 HydrophobicContact CE1-CG 4.28Å; Y161-L165 WeakPolarHBondContact O-CG 2.85Å; Y161-L165 PolarHBondContact O-N 3.23Å; Y161-L165 VanDerWaalsContact O-N 3.09Å; E162-L165 PolarHBondContact O-N 3.18Å; L165-T168 PolarHBondContact O-N 3.11Å; L165-K169 WeakPolarHBondContact O-CG 3.45Å; L165-K169 PolarHBondContact O-N 2.78Å |
| 166 | D | 97.9 | Very high | 94.8 | Very high | 91 Ų | 91 | 65.3 Ų | 65.3 | 49% | 0.487 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -69.3 | -41.5 | -178.9 | -75 | -16.9 | 0 | 0 | 0 | 111.8 | E162 T168 K169 L170 | E162-D166 PolarHBondContact O-N 2.69Å; D166-T168 VanDerWaalsContact C-N 3.33Å; D166-T168 PolarHBondContact O-N 3.11Å; D166-K169 PolarHBondContact O-N 3.31Å; D166-K169 IonicContact OD1-NZ 3.74Å; D166-L170 WeakPolarHBondContact O-CB 3.25Å; D166-L170 PolarHBondContact O-N 3.37Å |
| 167 | T | 97.1 | Very high | 94.3 | Very high | 15 Ų | 15 | 69 Ų | 69 | 9% | 0.092 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.4 | -36.3 | 177.1 | -60.7 | 0 | 0 | 0 | 0 | 111.5 | A17 L32 W163 L170 L171 | A17-T167 HydrophobicContact CB-CG2 3.25Å; L32-T167 HydrophobicContact CD1-CG2 3.75Å; W163-T167 HydrophobicContact CZ2-CG2 4.2Å; W163-T167 PolarHBondContact NE1-OG1 2.86Å; W163-T167 WeakPolarHBondContact O-CB 3.39Å; W163-T167 PolarHBondContact O-N 3.32Å; W163-T167 PolarHBondContact O-OG1 2.95Å; T167-L170 PolarHBondContact O-N 3.12Å; T167-L171 HydrophobicContact CG2-CD1 3.91Å; T167-L171 HydrophobicContact CG2-CG 4.14Å; T167-L171 WeakPolarHBondContact O-CB 3.27Å; T167-L171 VanDerWaalsContact O-CG 3.28Å; T167-L171 WeakPolarHBondContact O-CG 3.49Å; T167-L171 PolarHBondContact O-N 3.37Å |
| 168 | T | 96.3 | Very high | 93.4 | Very high | 55 Ų | 55 | 70.1 Ų | 70.1 | 34% | 0.337 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.9 | -47.5 | 175.1 | -62.7 | 0 | 0 | 0 | 0 | 111.2 | I164 L165 D166 L170 L171 E172 | I164-T168 VanDerWaalsContact O-CB 3.26Å; I164-T168 WeakPolarHBondContact O-CB 3.46Å; I164-T168 PolarHBondContact O-N 3.23Å; I164-T168 PolarHBondContact O-OG1 2.63Å; L165-T168 PolarHBondContact O-N 3.11Å; D166-T168 VanDerWaalsContact C-N 3.33Å; D166-T168 PolarHBondContact O-N 3.11Å; T168-L170 VanDerWaalsContact C-N 3.28Å; T168-L170 PolarHBondContact O-N 3.07Å; T168-L171 PolarHBondContact O-N 2.76Å; T168-E172 WeakPolarHBondContact O-CG 3.17Å; T168-E172 PolarHBondContact O-N 3.46Å; T168-E172 VanDerWaalsContact O-N 3.07Å |
| 169 | K | 96.7 | Very high | 92.4 | Very high | 111 Ų | 111 | 75 Ų | 75 | 48% | 0.483 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.8 | -38.4 | 175.3 | -65.1 | 167.1 | -168.4 | 159.4 | 0 | 111.9 | L165 D166 | L165-K169 WeakPolarHBondContact O-CG 3.45Å; L165-K169 PolarHBondContact O-N 2.78Å; D166-K169 PolarHBondContact O-N 3.31Å; D166-K169 IonicContact OD1-NZ 3.74Å |
| 170 | L | 95 | Very high | 90.8 | Very high | 114 Ų | 114 | 74 Ų | 74 | 60% | 0.597 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -68.4 | -44.6 | 179.6 | -160.9 | 151.6 | 0 | 0 | 0 | 111.2 | D166 T167 T168 E172 R173 S174 | D166-L170 WeakPolarHBondContact O-CB 3.25Å; D166-L170 PolarHBondContact O-N 3.37Å; T167-L170 PolarHBondContact O-N 3.12Å; T168-L170 VanDerWaalsContact C-N 3.28Å; T168-L170 PolarHBondContact O-N 3.07Å; L170-E172 VanDerWaalsContact C-N 3.3Å; L170-E172 PolarHBondContact O-N 3.08Å; L170-R173 PolarHBondContact O-N 3.37Å; L170-S174 WeakPolarHBondContact O-CB 3.38Å; L170-S174 PolarHBondContact O-N 3.01Å; L170-S174 PolarHBondContact O-OG 3.14Å |
| 171 | L | 93.8 | Very high | 89 | Confident | 7 Ų | 7 | 78 Ų | 78 | 4% | 0.037 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -65.4 | -30.7 | 177.6 | -72 | 172.7 | 0 | 0 | 0 | 112.7 | N15 A17 L32 K34 T167 T168 S174 | N15-L171 HydrophobicContact CB-CD2 3.89Å; A17-L171 HydrophobicContact CB-CD1 4.16Å; A17-L171 HydrophobicContact CB-CD2 4.16Å; A17-L171 HydrophobicContact CB-CG 4.37Å; L32-L171 HydrophobicContact CB-CD1 3.98Å; K34-L171 HydrophobicContact CB-CB 4.07Å; K34-L171 HydrophobicContact CB-CD1 4.36Å; K34-L171 HydrophobicContact CG-CB 4.47Å; T167-L171 HydrophobicContact CG2-CD1 3.91Å; T167-L171 HydrophobicContact CG2-CG 4.14Å; T167-L171 WeakPolarHBondContact O-CB 3.27Å; T167-L171 VanDerWaalsContact O-CG 3.28Å; T167-L171 WeakPolarHBondContact O-CG 3.49Å; T167-L171 PolarHBondContact O-N 3.37Å; T168-L171 PolarHBondContact O-N 2.76Å; L171-S174 PolarHBondContact O-N 3.24Å |
| 172 | E | 92.9 | Very high | 87 | Confident | 99 Ų | 99 | 77.8 Ų | 77.8 | 46% | 0.463 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 174.8 | -78.5 | 175.7 | 170.7 | 0 | 0 | 113.2 | R14 K34 T168 L170 | R14-E172 PolarHBondContact NH2-O 3.27Å; K34-E172 IonicContact NZ-OE1 2.91Å; T168-E172 WeakPolarHBondContact O-CG 3.17Å; T168-E172 PolarHBondContact O-N 3.46Å; T168-E172 VanDerWaalsContact O-N 3.07Å; L170-E172 VanDerWaalsContact C-N 3.3Å; L170-E172 PolarHBondContact O-N 3.08Å |
| 173 | R | 92.5 | Very high | 85.1 | Confident | 222 Ų | 222 | 76.4 Ų | 76.4 | 84% | 0.838 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -86.6 | -11.8 | -179.7 | -60.9 | 177.5 | -175.5 | 177.9 | 0.6 | 112.9 | L170 | L170-R173 PolarHBondContact O-N 3.37Å |
| 174 | S | 89.8 | Confident | 83.5 | Confident | 20 Ų | 20 | 80.5 Ų | 80.5 | 14% | 0.14 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -70.3 | 146.4 | -176.8 | -69.2 | 0 | 0 | 0 | 0 | 111.8 | R14 N15 L170 L171 | R14-S174 PolarHBondContact NH2-O 3.09Å; N15-S174 VanDerWaalsContact ND2-CB 3.29Å; N15-S174 WeakPolarHBondContact ND2-CB 3.28Å; L170-S174 WeakPolarHBondContact O-CB 3.38Å; L170-S174 PolarHBondContact O-N 3.01Å; L170-S174 PolarHBondContact O-OG 3.14Å; L171-S174 PolarHBondContact O-N 3.24Å |
| 175 | P | 87.2 | Confident | 82.1 | Confident | 105 Ų | 105 | 85 Ų | 85 | 68% | 0.682 | 44% | 0.44 | S | S | * | . | trans | -54.1 | 146.7 | 171.3 | -24.8 | 34.1 | 0 | 0 | 0 | 111.7 | N15 R177 | N15-P175 PolarHBondContact ND2-O 3.19Å; N15-P175 VanDerWaalsContact ND2-O 3.1Å; P175-R177 PolarHBondContact O-N 3.33Å | ||
| 176 | D | 86.7 | Confident | 80.9 | Confident | 59 Ų | 59 | 88.9 Ų | 88.9 | 32% | 0.316 | 45% | 0.454 | S | S | . | . | trans | -69.8 | 114.2 | 173.1 | -171.2 | -10.6 | 0 | 0 | 0 | 110 | R14 S178 | R14-D176 HydrophobicContact CG-CB 3.97Å; R14-D176 WeakPolarHBondContact CG-OD1 3.45Å; D176-S178 VanDerWaalsContact CG-OG 3.26Å; D176-S178 WeakPolarHBondContact OD1-CA 3.49Å; D176-S178 WeakPolarHBondContact OD1-CB 3.43Å; D176-S178 PolarHBondContact OD1-N 3.48Å; D176-S178 PolarHBondContact OD1-OG 2.88Å; D176-S178 PolarHBondContact OD2-OG 3.17Å | ||
| 177 | R | 83.2 | Confident | 79.9 | Confident | 137 Ų | 137 | 88 Ų | 88 | 52% | 0.517 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -89.3 | -6.1 | 175.3 | -64.5 | -173.9 | 177.6 | 177.1 | -1.1 | 112.7 | R14 N15 P175 V179 S180 | R14-R177 WeakPolarHBondContact O-CA 3.32Å; R14-R177 WeakPolarHBondContact O-CB 3.44Å; R14-R177 PolarHBondContact O-N 3.26Å; N15-R177 WeakPolarHBondContact OD1-CD 3.41Å; P175-R177 PolarHBondContact O-N 3.33Å; R177-V179 VanDerWaalsContact C-N 3.28Å; R177-S180 WeakPolarHBondContact CA-OG 3.42Å; R177-S180 PolarHBondContact O-OG 3.3Å |
| 178 | S | 78.3 | Confident | 79 | Confident | 42 Ų | 42 | 97.3 Ų | 97.3 | 29% | 0.294 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -74.6 | -20.6 | 176.6 | 77.7 | 0 | 0 | 0 | 0 | 113.2 | V13 R14 T36 D176 | V13-S178 VanDerWaalsContact O-CB 3.31Å; V13-S178 WeakPolarHBondContact O-CB 3.41Å; R14-S178 PolarHBondContact O-N 3.18Å; T36-S178 VanDerWaalsContact CG2-OG 3.29Å; T36-S178 WeakPolarHBondContact CG2-OG 3.34Å; D176-S178 VanDerWaalsContact CG-OG 3.26Å; D176-S178 WeakPolarHBondContact OD1-CA 3.49Å; D176-S178 WeakPolarHBondContact OD1-CB 3.43Å; D176-S178 PolarHBondContact OD1-N 3.48Å; D176-S178 PolarHBondContact OD1-OG 2.88Å; D176-S178 PolarHBondContact OD2-OG 3.17Å |
| 179 | V | 73.3 | Confident | 78 | Confident | 108 Ų | 108 | 95.7 Ų | 95.7 | 66% | 0.655 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -104 | -8.7 | -178.6 | -171.3 | 0 | 0 | 0 | 0 | 111.7 | R177 N181 | R177-V179 VanDerWaalsContact C-N 3.28Å; V179-N181 PolarHBondContact O-N 3.35Å |
| 180 | S | 61.8 | Low | 76.8 | Confident | 48 Ų | 48 | 95 Ų | 95 | 34% | 0.336 | 47% | 0.474 | S | S | . | . | trans | -79 | 114.4 | -165.4 | 59.6 | 0 | 0 | 0 | 0 | 112.3 | R177 I182 | R177-S180 WeakPolarHBondContact CA-OG 3.42Å; R177-S180 PolarHBondContact O-OG 3.3Å; S180-I182 PolarHBondContact O-N 3.23Å; S180-I182 VanDerWaalsContact OG-CD1 3.23Å; S180-I182 WeakPolarHBondContact OG-CD1 3.42Å; S180-I182 VanDerWaalsContact OG-CG1 3.3Å; S180-I182 WeakPolarHBondContact OG-CG1 3.37Å | ||
| 181 | N | 58.4 | Low | 75.3 | Confident | 98 Ų | 98 | 93.6 Ų | 93.6 | 52% | 0.524 | 47% | 0.472 | S | S | . | . | trans | -67.9 | 55.2 | 160.5 | -80 | 3.2 | 0 | 0 | 0 | 110.5 | V179 S183 E184 | V179-N181 PolarHBondContact O-N 3.35Å; N181-S183 PolarHBondContact O-N 3.39Å; N181-E184 HydrophobicContact CB-CB 4.41Å; N181-E184 HydrophobicContact CB-CG 4.13Å; N181-E184 WeakPolarHBondContact CB-OE2 3.48Å; N181-E184 PolarHBondContact ND2-OE1 3.12Å; N181-E184 PolarHBondContact ND2-OE2 3.35Å; N181-E184 WeakPolarHBondContact O-CB 3.27Å; N181-E184 PolarHBondContact O-N 3.23Å | ||
| 182 | I | 55.7 | Low | 74 | Confident | 65 Ų | 65 | 104 Ų | 104 | 33% | 0.333 | 51% | 0.511 | S | S | . | . | G | 310 helix | trans | -57.5 | -27.6 | -177.3 | -67.8 | 173.6 | 0 | 0 | 0 | 111.2 | S180 E184 I185 A213 | S180-I182 PolarHBondContact O-N 3.23Å; S180-I182 VanDerWaalsContact OG-CD1 3.23Å; S180-I182 WeakPolarHBondContact OG-CD1 3.42Å; S180-I182 VanDerWaalsContact OG-CG1 3.3Å; S180-I182 WeakPolarHBondContact OG-CG1 3.37Å; I182-E184 PolarHBondContact O-N 3.06Å; I182-E184 VanDerWaalsContact O-N 3.1Å; I182-I185 PolarHBondContact O-N 3.37Å; I182-A213 HydrophobicContact CG2-CB 3.98Å |
| 183 | S | 57.2 | Low | 72.9 | Confident | 92 Ų | 92 | 103.3 Ų | 103.3 | 64% | 0.643 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -57.4 | -19.5 | 173.3 | 50.6 | 0 | 0 | 0 | 0 | 114.1 | N181 | N181-S183 PolarHBondContact O-N 3.39Š|
| 184 | E | 64.3 | Low | 71.7 | Confident | 132 Ų | 132 | 98.9 Ų | 98.9 | 62% | 0.617 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -95.7 | -16.8 | -176.5 | -65.3 | 179.8 | 162.2 | 0 | 0 | 113.9 | N181 I182 K186 | N181-E184 HydrophobicContact CB-CB 4.41Å; N181-E184 HydrophobicContact CB-CG 4.13Å; N181-E184 WeakPolarHBondContact CB-OE2 3.48Å; N181-E184 PolarHBondContact ND2-OE1 3.12Å; N181-E184 PolarHBondContact ND2-OE2 3.35Å; N181-E184 WeakPolarHBondContact O-CB 3.27Å; N181-E184 PolarHBondContact O-N 3.23Å; I182-E184 PolarHBondContact O-N 3.06Å; I182-E184 VanDerWaalsContact O-N 3.1Å; E184-K186 PolarHBondContact O-N 3Å; E184-K186 VanDerWaalsContact O-N 3.11Å |
| 185 | I | 67.3 | Low | 70.7 | Confident | 107 Ų | 107 | 100.1 Ų | 100.1 | 55% | 0.549 | 51% | 0.513 | S | S | . | . | trans | -76.8 | 106.5 | -178.7 | -59.9 | 177 | 0 | 0 | 0 | 109.5 | I182 T212 A213 | I182-I185 PolarHBondContact O-N 3.37Å; I185-T212 VanDerWaalsContact O-CA 3.32Å; I185-T212 WeakPolarHBondContact O-CA 3Å; I185-A213 PolarHBondContact O-N 3.2Å | ||
| 186 | K | 74.6 | Confident | 69.8 | Low | 139 Ų | 139 | 98.2 Ų | 98.2 | 60% | 0.604 | 51% | 0.506 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 114.7 | 178.7 | -78.4 | 178.7 | 175 | -171.2 | 0 | 111.3 | E184 S210 L211 | E184-K186 PolarHBondContact O-N 3Å; E184-K186 VanDerWaalsContact O-N 3.11Å; K186-S210 WeakPolarHBondContact CD-OG 3.47Å; K186-L211 CarbonylContact C-O 3.49Å; K186-L211 WeakPolarHBondContact CA-O 2.91Å |
| 187 | I | 76.9 | Confident | 68.8 | Low | 72 Ų | 72 | 96.1 Ų | 96.1 | 37% | 0.369 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 118.3 | 172.3 | -58.2 | 171.7 | 0 | 0 | 0 | 108.4 | V189 S210 L211 M216 | I187-V189 PolarHBondContact O-N 3.27Å; I187-S210 CarbonylContact O-C 3.56Å; I187-S210 WeakPolarHBondContact O-CA 3.13Å; I187-L211 PolarHBondContact N-O 3.2Å; I187-L211 PolarHBondContact O-N 3.24Å; I187-M216 HydrophobicContact CD1-SD 3.68Å; I187-M216 HydrophobicContact CG2-SD 4.46Å |
| 188 | R | 77.3 | Confident | 67.9 | Low | 212 Ų | 212 | 90 Ų | 90 | 80% | 0.8 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 127.9 | 170.3 | -76.5 | -174.6 | -179 | 160.5 | 1.5 | 110.1 | ||
| 189 | V | 74.4 | Confident | 67.2 | Low | 20 Ų | 20 | 94.4 Ų | 94.4 | 12% | 0.121 | 50% | 0.496 | C | S | . | . | trans | -109.9 | 141.8 | 176.6 | -141.6 | 0 | 0 | 0 | 0 | 109.9 | I187 P191 L193 L198 K209 L211 | I187-V189 PolarHBondContact O-N 3.27Å; V189-P191 WeakPolarHBondContact O-CD 3.29Å; V189-L193 HydrophobicContact CG1-CD2 3.99Å; V189-L198 HydrophobicContact CG2-CD1 4.45Å; V189-K209 WeakPolarHBondContact CG2-O 3.46Å; V189-K209 PolarHBondContact N-O 3.29Å; V189-K209 VanDerWaalsContact N-O 3.14Å; V189-L211 HydrophobicContact CG2-CB 4.18Å; V189-L211 HydrophobicContact CG2-CD1 3.52Å; V189-L211 HydrophobicContact CG2-CG 3.54Å | ||
| 190 | N | 72.2 | Confident | 66.8 | Low | 98 Ų | 98 | 93 Ų | 93 | 52% | 0.524 | 49% | 0.491 | S | S | . | . | trans | -65.2 | 123.9 | 173.4 | -176.6 | -19.8 | 0 | 0 | 0 | 109.3 | R192 L193 | N190-R192 PolarHBondContact O-N 2.77Å; N190-R192 VanDerWaalsContact O-N 3.08Å; N190-R192 WeakPolarHBondContact OD1-CB 2.88Å; N190-R192 PolarHBondContact OD1-N 3.03Å; N190-L193 HydrophobicContact CB-CB 4.43Å; N190-L193 VanDerWaalsContact O-CB 3.27Å; N190-L193 WeakPolarHBondContact O-CB 3.19Å; N190-L193 PolarHBondContact O-N 2.73Å | ||
| 191 | P | 62.8 | Low | 66.8 | Low | 84 Ų | 84 | 93.4 Ų | 93.4 | 55% | 0.545 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -17.9 | 180 | 23.5 | -34.5 | 0 | 0 | 0 | 114.4 | V189 K209 | V189-P191 WeakPolarHBondContact O-CD 3.29Å; P191-K209 HydrophobicContact CB-CD 3.91Å |
| 192 | R | 68.3 | Low | 66.9 | Low | 226 Ų | 226 | 89.1 Ų | 89.1 | 85% | 0.853 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -5.7 | 176.6 | -61.4 | -175.9 | 179.9 | 169.2 | 0.2 | 113.3 | N190 P194 | N190-R192 PolarHBondContact O-N 2.77Å; N190-R192 VanDerWaalsContact O-N 3.08Å; N190-R192 WeakPolarHBondContact OD1-CB 2.88Å; N190-R192 PolarHBondContact OD1-N 3.03Å; R192-P194 WeakPolarHBondContact O-CD 3.22Å |
| 193 | L | 68.8 | Low | 67.1 | Low | 84 Ų | 84 | 90.3 Ų | 90.3 | 44% | 0.44 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -70 | 120.6 | -179.9 | -167.4 | 71.3 | 0 | 0 | 0 | 109.3 | V189 N190 M195 | V189-L193 HydrophobicContact CG1-CD2 3.99Å; N190-L193 HydrophobicContact CB-CB 4.43Å; N190-L193 VanDerWaalsContact O-CB 3.27Å; N190-L193 WeakPolarHBondContact O-CB 3.19Å; N190-L193 PolarHBondContact O-N 2.73Å; L193-M195 VanDerWaalsContact C-N 3.28Å; L193-M195 HydrophobicContact CD2-CG 3.7Å; L193-M195 HydrophobicContact CG-CG 3.98Å; L193-M195 PolarHBondContact O-N 2.97Å |
| 194 | P | 67.4 | Low | 67.1 | Low | 128 Ų | 128 | 95.2 Ų | 95.2 | 83% | 0.831 | 49% | 0.488 | S | S | * | . | trans | -76 | 81.6 | 179.2 | 31.3 | -33.2 | 0 | 0 | 0 | 109.8 | R192 | R192-P194 WeakPolarHBondContact O-CD 3.22Š| ||
| 195 | M | 67.7 | Low | 66.5 | Low | 46 Ų | 46 | 100.5 Ų | 100.5 | 23% | 0.227 | 50% | 0.502 | C | S | . | . | trans | -103.5 | 115.2 | 172.1 | -77 | -96.1 | -85.3 | 0 | 0 | 108.8 | L193 G197 L198 I219 | L193-M195 VanDerWaalsContact C-N 3.28Å; L193-M195 HydrophobicContact CD2-CG 3.7Å; L193-M195 HydrophobicContact CG-CG 3.98Å; L193-M195 PolarHBondContact O-N 2.97Å; M195-G197 PolarHBondContact O-N 3.16Å; M195-L198 HydrophobicContact CB-CB 3.87Å; M195-L198 HydrophobicContact CB-CD2 4.3Å; M195-L198 WeakPolarHBondContact O-CB 3.28Å; M195-L198 PolarHBondContact O-N 2.91Å; M195-I219 HydrophobicContact CE-CB 4.46Å; M195-I219 HydrophobicContact CE-CG2 3.63Å; M195-I219 HydrophobicContact SD-CG2 4.19Å | ||
| 196 | A | 68.3 | Low | 66 | Low | 65 Ų | 65 | 98.1 Ų | 98.1 | 54% | 0.537 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 131 | 171 | 0 | 0 | 0 | 0 | 0 | 109.4 | L198 I219 H224 | A196-L198 PolarHBondContact O-N 2.91Å; A196-I219 WeakPolarHBondContact O-CG2 3.44Å; A196-H224 VanDerWaalsContact C-NE2 3.32Å; A196-H224 PolarHBondContact O-CE1 3.07Å; A196-H224 PolarHBondContact O-NE2 2.91Å |
| 197 | G | 66 | Low | 65 | Low | 15 Ų | 15 | 101.5 Ų | 101.5 | 16% | 0.155 | 51% | 0.506 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | -11.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | M195 L199 S200 L201 H224 | M195-G197 PolarHBondContact O-N 3.16Å; G197-L199 PolarHBondContact O-N 3.28Å; G197-S200 PolarHBondContact O-N 3.14Å; G197-S200 VanDerWaalsContact O-N 3.17Å; G197-S200 PolarHBondContact O-OG 2.84Å; G197-L201 PolarHBondContact O-N 3.38Å; G197-H224 WeakPolarHBondContact CA-CD2 3.4Å; G197-H224 VanDerWaalsContact CA-CG 3.44Å; G197-H224 WeakPolarHBondContact CA-NE2 3.3Å; G197-H224 PolarHBondContact N-NE2 3.3Å |
| 198 | L | 64.3 | Low | 64.1 | Low | 10 Ų | 10 | 100.6 Ų | 100.6 | 5% | 0.052 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -62.1 | -35.7 | 178.1 | -173.1 | 67.7 | 0 | 0 | 0 | 112 | V189 M195 A196 V202 L211 I219 | V189-L198 HydrophobicContact CG2-CD1 4.45Å; M195-L198 HydrophobicContact CB-CB 3.87Å; M195-L198 HydrophobicContact CB-CD2 4.3Å; M195-L198 WeakPolarHBondContact O-CB 3.28Å; M195-L198 PolarHBondContact O-N 2.91Å; A196-L198 PolarHBondContact O-N 2.91Å; L198-V202 HydrophobicContact CD1-CG2 3.82Å; L198-V202 HydrophobicContact CG-CG2 4.39Å; L198-V202 WeakPolarHBondContact O-CB 3.49Å; L198-V202 PolarHBondContact O-N 3.15Å; L198-L211 HydrophobicContact CD1-CD1 3.78Å; L198-L211 HydrophobicContact CD1-CD2 3.98Å; L198-L211 HydrophobicContact CD1-CG 4.12Å; L198-I219 HydrophobicContact CB-CD1 4.45Å; L198-I219 HydrophobicContact CD1-CD1 3.87Å |
| 199 | L | 63.8 | Low | 63.6 | Low | 133 Ų | 133 | 92.6 Ų | 92.6 | 70% | 0.696 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -73.2 | -23.6 | 178.1 | -73.8 | 170.2 | 0 | 0 | 0 | 113.9 | G197 | G197-L199 PolarHBondContact O-N 3.28Å |
| 200 | S | 65.8 | Low | 63.7 | Low | 80 Ų | 80 | 92.3 Ų | 92.3 | 56% | 0.559 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -81.5 | -27.1 | 177.2 | 56 | 0 | 0 | 0 | 0 | 112.3 | G197 | G197-S200 PolarHBondContact O-N 3.14Å; G197-S200 VanDerWaalsContact O-N 3.17Å; G197-S200 PolarHBondContact O-OG 2.84Å |
| 201 | L | 60.8 | Low | 63.8 | Low | 56 Ų | 56 | 87.7 Ų | 87.7 | 29% | 0.293 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -97.8 | -30.2 | -178.4 | -68.4 | 167 | 0 | 0 | 0 | 113.9 | G197 P203 A218 I219 H224 | G197-L201 PolarHBondContact O-N 3.38Å; L201-P203 WeakPolarHBondContact O-CD 3.03Å; L201-A218 HydrophobicContact CD1-CB 4.46Å; L201-I219 HydrophobicContact CD1-CD1 4.02Å; L201-I219 HydrophobicContact CD1-CG1 3.49Å; L201-I219 VanDerWaalsContact CD1-CG1 3.49Å; L201-H224 HydrophobicContact CD1-CB 4.22Å |
| 202 | V | 60.7 | Low | 64.5 | Low | 8 Ų | 8 | 84.8 Ų | 84.8 | 5% | 0.048 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -102 | 113 | -178.7 | -174.8 | 0 | 0 | 0 | 0 | 110.2 | L198 K204 K209 L211 | L198-V202 HydrophobicContact CD1-CG2 3.82Å; L198-V202 HydrophobicContact CG-CG2 4.39Å; L198-V202 WeakPolarHBondContact O-CB 3.49Å; L198-V202 PolarHBondContact O-N 3.15Å; V202-K204 PolarHBondContact O-N 2.8Å; V202-K209 HydrophobicContact CG1-CB 3.97Å; V202-K209 HydrophobicContact CG1-CD 4.1Å; V202-K209 HydrophobicContact CG1-CG 3.76Å; V202-L211 HydrophobicContact CG2-CD2 3.49Å; V202-L211 VanDerWaalsContact CG2-CD2 3.49Å; V202-L211 HydrophobicContact CG2-CG 4.4Å |
| 203 | P | 59.9 | Low | 64.6 | Low | 89 Ų | 89 | 75.4 Ų | 75.4 | 58% | 0.578 | 40% | 0.402 | S | S | * | . | trans | -55.5 | 138 | 178.5 | -23.9 | 32.6 | 0 | 0 | 0 | 111.7 | L201 R205 D206 | L201-P203 WeakPolarHBondContact O-CD 3.03Å; P203-R205 PolarHBondContact O-N 2.63Å; P203-D206 PolarHBondContact O-N 2.94Å | ||
| 204 | K | 57.6 | Low | 64.6 | Low | 196 Ų | 196 | 77.5 Ų | 77.5 | 85% | 0.852 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -21.6 | 178.5 | -75.8 | -175.2 | 179.3 | 176.6 | 0 | 114.2 | V202 | V202-K204 PolarHBondContact O-N 2.8Š|
| 205 | R | 52.5 | Low | 64.9 | Low | 243 Ų | 243 | 74.1 Ų | 74.1 | 92% | 0.917 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -7.5 | -177.2 | -73 | -175.3 | 176 | 174 | -0.5 | 115 | P203 K207 | P203-R205 PolarHBondContact O-N 2.63Å; R205-K207 PolarHBondContact O-N 2.99Å |
| 206 | D | 56.8 | Low | 65.4 | Low | 56 Ų | 56 | 74.7 Ų | 74.7 | 30% | 0.299 | 39% | 0.389 | S | S | . | . | trans | -81.1 | 109.5 | 175.5 | -170.9 | -9.8 | 0 | 0 | 0 | 110.7 | P203 S208 K209 | P203-D206 PolarHBondContact O-N 2.94Å; D206-S208 VanDerWaalsContact C-N 3.28Å; D206-S208 PolarHBondContact O-N 3.22Å; D206-S208 PolarHBondContact OD1-N 3.19Å; D206-S208 PolarHBondContact OD1-OG 3.21Å; D206-K209 VanDerWaalsContact O-CG 3.28Å; D206-K209 WeakPolarHBondContact O-CG 3.34Å | ||
| 207 | K | 53.8 | Low | 65.7 | Low | 211 Ų | 211 | 76.4 Ų | 76.4 | 92% | 0.917 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -25 | 179.1 | -69.5 | -175.8 | 179.7 | 179.4 | 0 | 113 | R205 | R205-K207 PolarHBondContact O-N 2.99Š|
| 208 | S | 57.8 | Low | 66 | Low | 52 Ų | 52 | 76.9 Ų | 76.9 | 36% | 0.364 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -13.4 | -177.1 | 75.5 | 0 | 0 | 0 | 0 | 113.4 | D206 S210 | D206-S208 VanDerWaalsContact C-N 3.28Å; D206-S208 PolarHBondContact O-N 3.22Å; D206-S208 PolarHBondContact OD1-N 3.19Å; D206-S208 PolarHBondContact OD1-OG 3.21Å; S208-S210 PolarHBondContact O-N 3.36Å |
| 209 | K | 66.4 | Low | 66.3 | Low | 45 Ų | 45 | 77 Ų | 77 | 20% | 0.196 | 39% | 0.391 | C | S | . | . | trans | 25.7 | 58.7 | -174.7 | -67.6 | -154.1 | -170.4 | 178.3 | 0 | 112.4 | V189 P191 V202 D206 | V189-K209 WeakPolarHBondContact CG2-O 3.46Å; V189-K209 PolarHBondContact N-O 3.29Å; V189-K209 VanDerWaalsContact N-O 3.14Å; P191-K209 HydrophobicContact CB-CD 3.91Å; V202-K209 HydrophobicContact CG1-CB 3.97Å; V202-K209 HydrophobicContact CG1-CD 4.1Å; V202-K209 HydrophobicContact CG1-CG 3.76Å; D206-K209 VanDerWaalsContact O-CG 3.28Å; D206-K209 WeakPolarHBondContact O-CG 3.34Å | ||
| 210 | S | 76.2 | Confident | 66.7 | Low | 14 Ų | 14 | 76.8 Ų | 76.8 | 10% | 0.098 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 137.7 | 178.8 | 63.4 | 0 | 0 | 0 | 0 | 110.5 | K186 I187 S208 | K186-S210 WeakPolarHBondContact CD-OG 3.47Å; I187-S210 CarbonylContact O-C 3.56Å; I187-S210 WeakPolarHBondContact O-CA 3.13Å; S208-S210 PolarHBondContact O-N 3.36Å |
| 211 | L | 74.7 | Confident | 67.2 | Low | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 136.8 | 173.7 | -66.2 | 172.8 | 0 | 0 | 0 | 109.9 | K186 I187 V189 L198 V202 E215 M216 I219 | K186-L211 CarbonylContact C-O 3.49Å; K186-L211 WeakPolarHBondContact CA-O 2.91Å; I187-L211 PolarHBondContact N-O 3.2Å; I187-L211 PolarHBondContact O-N 3.24Å; V189-L211 HydrophobicContact CG2-CB 4.18Å; V189-L211 HydrophobicContact CG2-CD1 3.52Å; V189-L211 HydrophobicContact CG2-CG 3.54Å; L198-L211 HydrophobicContact CD1-CD1 3.78Å; L198-L211 HydrophobicContact CD1-CD2 3.98Å; L198-L211 HydrophobicContact CD1-CG 4.12Å; V202-L211 HydrophobicContact CG2-CD2 3.49Å; V202-L211 VanDerWaalsContact CG2-CD2 3.49Å; V202-L211 HydrophobicContact CG2-CG 4.4Å; L211-E215 WeakPolarHBondContact CA-OE2 3.48Å; L211-E215 HydrophobicContact CB-CB 4.26Å; L211-E215 HydrophobicContact CD2-CB 3.75Å; L211-M216 HydrophobicContact CB-CB 4.47Å; L211-M216 HydrophobicContact CD1-CB 4.27Å; L211-I219 HydrophobicContact CD1-CD1 3.66Å; L211-I219 HydrophobicContact CD2-CD1 4Å |
| 212 | T | 76.5 | Confident | 67.5 | Low | 24 Ų | 24 | 75.2 Ų | 75.2 | 15% | 0.147 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 157.9 | 158.4 | 63 | 0 | 0 | 0 | 0 | 110.2 | I185 L214 E215 M216 | I185-T212 VanDerWaalsContact O-CA 3.32Å; I185-T212 WeakPolarHBondContact O-CA 3Å; T212-L214 PolarHBondContact O-N 2.72Å; T212-E215 PolarHBondContact N-OE2 3.33Å; T212-E215 PolarHBondContact O-N 3.37Å; T212-E215 VanDerWaalsContact OG1-CG 3.26Å; T212-E215 WeakPolarHBondContact OG1-CG 2.88Å; T212-E215 PolarHBondContact OG1-N 2.67Å; T212-E215 VanDerWaalsContact OG1-N 3.09Å; T212-E215 PolarHBondContact OG1-OE2 2.76Å; T212-M216 PolarHBondContact O-N 3.45Å |
| 213 | A | 70.4 | Confident | 67.8 | Low | 29 Ų | 29 | 81.4 Ų | 81.4 | 24% | 0.24 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -54.1 | -35.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I182 I185 M216 I217 | I182-A213 HydrophobicContact CG2-CB 3.98Å; I185-A213 PolarHBondContact O-N 3.2Å; A213-M216 PolarHBondContact O-N 3.23Å; A213-I217 VanDerWaalsContact O-CG1 3.28Å; A213-I217 WeakPolarHBondContact O-CG1 3.38Å; A213-I217 PolarHBondContact O-N 2.83Å |
| 214 | L | 69.5 | Low | 67.8 | Low | 127 Ų | 127 | 79.1 Ų | 79.1 | 67% | 0.665 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -66.7 | -45.8 | 179.1 | -139.4 | 88.7 | 0 | 0 | 0 | 112.3 | T212 M216 I217 A218 | T212-L214 PolarHBondContact O-N 2.72Å; L214-M216 VanDerWaalsContact C-N 3.31Å; L214-M216 PolarHBondContact O-N 3.21Å; L214-I217 PolarHBondContact O-N 2.95Å; L214-A218 PolarHBondContact O-N 3.42Å |
| 215 | E | 74.2 | Confident | 67.7 | Low | 58 Ų | 58 | 76.9 Ų | 76.9 | 27% | 0.271 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.9 | -37.5 | 176.8 | -68.9 | 161.6 | 143.9 | 0 | 0 | 111.2 | L211 T212 A218 I219 | L211-E215 WeakPolarHBondContact CA-OE2 3.48Å; L211-E215 HydrophobicContact CB-CB 4.26Å; L211-E215 HydrophobicContact CD2-CB 3.75Å; T212-E215 PolarHBondContact N-OE2 3.33Å; T212-E215 PolarHBondContact O-N 3.37Å; T212-E215 VanDerWaalsContact OG1-CG 3.26Å; T212-E215 WeakPolarHBondContact OG1-CG 2.88Å; T212-E215 PolarHBondContact OG1-N 2.67Å; T212-E215 VanDerWaalsContact OG1-N 3.09Å; T212-E215 PolarHBondContact OG1-OE2 2.76Å; E215-A218 PolarHBondContact O-N 2.87Å; E215-I219 WeakPolarHBondContact O-CG1 3.39Å; E215-I219 PolarHBondContact O-N 2.88Å |
| 216 | M | 77.1 | Confident | 67.7 | Low | 57 Ų | 57 | 73.8 Ų | 73.8 | 28% | 0.281 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.2 | -40.9 | 176 | -169 | 146.9 | -178.9 | 0 | 0 | 112 | I187 L211 T212 A213 L214 I219 L220 | I187-M216 HydrophobicContact CD1-SD 3.68Å; I187-M216 HydrophobicContact CG2-SD 4.46Å; L211-M216 HydrophobicContact CB-CB 4.47Å; L211-M216 HydrophobicContact CD1-CB 4.27Å; T212-M216 PolarHBondContact O-N 3.45Å; A213-M216 PolarHBondContact O-N 3.23Å; L214-M216 VanDerWaalsContact C-N 3.31Å; L214-M216 PolarHBondContact O-N 3.21Å; M216-I219 PolarHBondContact O-N 2.74Å; M216-L220 HydrophobicContact CG-CD1 4.49Å; M216-L220 WeakPolarHBondContact O-CG 3.35Å; M216-L220 PolarHBondContact O-N 2.73Å |
| 217 | I | 74.9 | Confident | 67 | Low | 101 Ų | 101 | 76.4 Ų | 76.4 | 52% | 0.518 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.2 | -46.9 | 172 | -69.2 | 164.6 | 0 | 0 | 0 | 110.4 | A213 L214 I219 L220 S221 | A213-I217 VanDerWaalsContact O-CG1 3.28Å; A213-I217 WeakPolarHBondContact O-CG1 3.38Å; A213-I217 PolarHBondContact O-N 2.83Å; L214-I217 PolarHBondContact O-N 2.95Å; I217-I219 VanDerWaalsContact C-N 3.27Å; I217-I219 PolarHBondContact O-N 2.79Å; I217-L220 PolarHBondContact O-N 2Å; I217-S221 VanDerWaalsContact O-CB 3.31Å; I217-S221 WeakPolarHBondContact O-CB 3.15Å; I217-S221 PolarHBondContact O-N 3.03Å; I217-S221 PolarHBondContact O-OG 2.86Å; I217-S221 VanDerWaalsContact O-OG 3.12Å |
| 218 | A | 72 | Confident | 66.6 | Low | 26 Ų | 26 | 71.2 Ų | 71.2 | 22% | 0.215 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.3 | -35.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L201 L214 E215 G222 Y223 | L201-A218 HydrophobicContact CD1-CB 4.46Å; L214-A218 PolarHBondContact O-N 3.42Å; E215-A218 PolarHBondContact O-N 2.87Å; A218-G222 PolarHBondContact O-N 3.23Å; A218-Y223 PolarHBondContact O-N 3.09Å |
| 219 | I | 71.6 | Confident | 65.9 | Low | 11 Ų | 11 | 75.5 Ų | 75.5 | 6% | 0.056 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -66.2 | -52.9 | 173.1 | -68.9 | 170 | 0 | 0 | 0 | 110.7 | M195 A196 L198 L201 L211 E215 M216 I217 S221 G222 | M195-I219 HydrophobicContact CE-CB 4.46Å; M195-I219 HydrophobicContact CE-CG2 3.63Å; M195-I219 HydrophobicContact SD-CG2 4.19Å; A196-I219 WeakPolarHBondContact O-CG2 3.44Å; L198-I219 HydrophobicContact CB-CD1 4.45Å; L198-I219 HydrophobicContact CD1-CD1 3.87Å; L201-I219 HydrophobicContact CD1-CD1 4.02Å; L201-I219 HydrophobicContact CD1-CG1 3.49Å; L201-I219 VanDerWaalsContact CD1-CG1 3.49Å; L211-I219 HydrophobicContact CD1-CD1 3.66Å; L211-I219 HydrophobicContact CD2-CD1 4Å; E215-I219 WeakPolarHBondContact O-CG1 3.39Å; E215-I219 PolarHBondContact O-N 2.88Å; M216-I219 PolarHBondContact O-N 2.74Å; I217-I219 VanDerWaalsContact C-N 3.27Å; I217-I219 PolarHBondContact O-N 2.79Å; I219-S221 VanDerWaalsContact C-N 3.29Å; I219-S221 PolarHBondContact O-N 2.6Å; I219-G222 PolarHBondContact O-N 3.14Å; I219-G222 VanDerWaalsContact O-N 3.08Å |
| 220 | L | 72.3 | Confident | 64.8 | Low | 129 Ų | 129 | 83.6 Ų | 83.6 | 68% | 0.675 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -61.8 | -36.4 | -178.6 | -70.3 | 176.1 | 0 | 0 | 0 | 112.4 | M216 I217 G222 | M216-L220 HydrophobicContact CG-CD1 4.49Å; M216-L220 WeakPolarHBondContact O-CG 3.35Å; M216-L220 PolarHBondContact O-N 2.73Å; I217-L220 PolarHBondContact O-N 2Å; L220-G222 VanDerWaalsContact C-N 3.28Å; L220-G222 PolarHBondContact O-N 3.36Å |
| 221 | S | 74.9 | Confident | 64.2 | Low | 74 Ų | 74 | 87.1 Ų | 87.1 | 52% | 0.517 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -0.1 | 178.1 | -59.5 | 0 | 0 | 0 | 0 | 113.7 | I217 I219 Y223 | I217-S221 VanDerWaalsContact O-CB 3.31Å; I217-S221 WeakPolarHBondContact O-CB 3.15Å; I217-S221 PolarHBondContact O-N 3.03Å; I217-S221 PolarHBondContact O-OG 2.86Å; I217-S221 VanDerWaalsContact O-OG 3.12Å; I219-S221 VanDerWaalsContact C-N 3.29Å; I219-S221 PolarHBondContact O-N 2.6Å; S221-Y223 PolarHBondContact O-N 3.46Å |
| 222 | G | 68.3 | Low | 63.7 | Low | 30 Ų | 30 | 91.6 Ų | 91.6 | 31% | 0.309 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.8 | 8.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | A218 I219 L220 H224 K225 | A218-G222 PolarHBondContact O-N 3.23Å; I219-G222 PolarHBondContact O-N 3.14Å; I219-G222 VanDerWaalsContact O-N 3.08Å; L220-G222 VanDerWaalsContact C-N 3.28Å; L220-G222 PolarHBondContact O-N 3.36Å; G222-H224 PolarHBondContact O-N 2.94Å; G222-K225 PolarHBondContact O-N 3.15Å; G222-K225 VanDerWaalsContact O-N 3.14Å |
| 223 | Y | 66.5 | Low | 63 | Low | 138 Ų | 138 | 95.4 Ų | 95.4 | 54% | 0.541 | 51% | 0.513 | S | S | . | . | G | 310 helix | trans | -61 | -28 | -177.8 | -94 | -87.4 | 0 | 0 | 0 | 113.4 | A218 S221 K225 R226 | A218-Y223 PolarHBondContact O-N 3.09Å; S221-Y223 PolarHBondContact O-N 3.46Å; Y223-K225 PolarHBondContact O-N 2.98Å; Y223-K225 VanDerWaalsContact O-N 3.09Å; Y223-R226 PolarHBondContact O-N 3.01Å |
| 224 | H | 60.9 | Low | 62.5 | Low | 41 Ų | 41 | 99.3 Ų | 99.3 | 19% | 0.19 | 53% | 0.529 | C | S | . | . | G | 310 helix | trans | -61.8 | -14.5 | 176.9 | 67.8 | -94.2 | 0 | 0 | 0 | 114.9 | A196 G197 L201 G222 | A196-H224 VanDerWaalsContact C-NE2 3.32Å; A196-H224 PolarHBondContact O-CE1 3.07Å; A196-H224 PolarHBondContact O-NE2 2.91Å; G197-H224 WeakPolarHBondContact CA-CD2 3.4Å; G197-H224 VanDerWaalsContact CA-CG 3.44Å; G197-H224 WeakPolarHBondContact CA-NE2 3.3Å; G197-H224 PolarHBondContact N-NE2 3.3Å; L201-H224 HydrophobicContact CD1-CB 4.22Å; G222-H224 PolarHBondContact O-N 2.94Å |
| 225 | K | 54 | Low | 62.1 | Low | 149 Ų | 149 | 97.6 Ų | 97.6 | 65% | 0.648 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -90.4 | -8.1 | -179.9 | -68.9 | -167.2 | 178.6 | 177 | 0 | 114.1 | G222 Y223 P227 | G222-K225 PolarHBondContact O-N 3.15Å; G222-K225 VanDerWaalsContact O-N 3.14Å; Y223-K225 PolarHBondContact O-N 2.98Å; Y223-K225 VanDerWaalsContact O-N 3.09Å; K225-P227 WeakPolarHBondContact O-CD 3.48Å |
| 226 | R | 52.9 | Low | 61.3 | Low | 178 Ų | 178 | 100.2 Ų | 100.2 | 67% | 0.672 | 54% | 0.537 | S | S | * | . | trans | -75 | 108.7 | -178.9 | -66.9 | -172.9 | -177.9 | -171.8 | 1 | 108.5 | Y223 | Y223-R226 PolarHBondContact O-N 3.01Š| ||
| 227 | P | 41.2 | Very low | 60.2 | Low | 110 Ų | 110 | 103.3 Ų | 103.3 | 71% | 0.714 | 56% | 0.556 | S | S | * | * | trans | -60.7 | 140.2 | 168.6 | 26.3 | -31.4 | 0 | 0 | 0 | 108.5 | K225 V229 | K225-P227 WeakPolarHBondContact O-CD 3.48Å; P227-V229 PolarHBondContact O-N 3.29Å; P227-V229 VanDerWaalsContact O-N 3.17Å | ||
| 228 | S | 45.9 | Very low | 59 | Low | 102 Ų | 102 | 103.5 Ų | 103.5 | 71% | 0.713 | 56% | 0.559 | S | S | * | * | trans | -57 | 119.2 | 164.3 | 46.1 | 0 | 0 | 0 | 0 | 107.4 | D230 | S228-D230 PolarHBondContact O-N 3.17Š| ||
| 229 | V | 43.6 | Very low | 57.9 | Low | 142 Ų | 142 | 109.9 Ų | 109.9 | 86% | 0.861 | 59% | 0.587 | S | S | * | * | trans | -72.6 | 108.2 | 166.9 | -176.8 | 0 | 0 | 0 | 0 | 105.1 | P227 | P227-V229 PolarHBondContact O-N 3.29Å; P227-V229 VanDerWaalsContact O-N 3.17Å | ||
| 230 | D | 43.2 | Very low | 56.7 | Low | 215 Ų | 215 | 118.9 Ų | 118.9 | 100% | 1.15 | 64% | 0.636 | S | S | * | * | trans | -71.4 | 0 | 162.4 | -72.9 | -30.6 | 0 | 0 | 0 | 109.9 | S228 | S228-D230 PolarHBondContact O-N 3.17Š|
Retrieved 230 of 230 residues in 135.8 ms
(Link to these results)