| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.1 | Very low | 58.4 | Low | 245 Ų | 245 | 113.1 Ų | 113.1 | 100% | 1.207 | 63% | 0.627 | S | S | * | * | 0 | 103 | 0 | -72.5 | 178.7 | 171.7 | 0 | 0 | 107.8 | S3 | M1-S3 PolarHBondContact O-N 3.37Š| |||
| 2 | Y | 38.7 | Very low | 61.3 | Low | 241 Ų | 241 | 113.7 Ų | 113.7 | 95% | 0.945 | 61% | 0.614 | S | S | * | * | trans | -74.1 | 111.1 | 173.5 | -72.8 | -79.5 | 0 | 0 | 0 | 108 | S4 | Y2-S4 PolarHBondContact O-N 3.38Š| ||
| 3 | S | 45 | Very low | 63.9 | Low | 106 Ų | 106 | 105.8 Ų | 105.8 | 74% | 0.741 | 57% | 0.572 | S | S | * | * | trans | -63.8 | 101.3 | 169.6 | 178.2 | 0 | 0 | 0 | 0 | 107.7 | M1 Q5 | M1-S3 PolarHBondContact O-N 3.37Å; S3-Q5 VanDerWaalsContact C-N 3.3Å; S3-Q5 PolarHBondContact O-N 3.26Å | ||
| 4 | S | 47.4 | Very low | 66 | Low | 105 Ų | 105 | 102.5 Ų | 102.5 | 73% | 0.734 | 57% | 0.566 | S | S | * | * | trans | -57.6 | 92 | 168 | 171.3 | 0 | 0 | 0 | 0 | 108.6 | Y2 N6 | Y2-S4 PolarHBondContact O-N 3.38Å; S4-N6 PolarHBondContact O-N 3.11Å | ||
| 5 | Q | 52.4 | Low | 67.8 | Low | 107 Ų | 107 | 107.3 Ų | 107.3 | 50% | 0.5 | 58% | 0.579 | S | S | . | * | trans | -69.4 | 121.9 | 164 | -72.7 | -163.4 | 1 | 0 | 0 | 107 | S3 | S3-Q5 VanDerWaalsContact C-N 3.3Å; S3-Q5 PolarHBondContact O-N 3.26Å | ||
| 6 | N | 51.4 | Low | 69.6 | Low | 104 Ų | 104 | 103.4 Ų | 103.4 | 56% | 0.556 | 56% | 0.56 | S | S | * | * | trans | -38.9 | 116.1 | -175.2 | -167.1 | -8.5 | 0 | 0 | 0 | 112.3 | S4 T8 S9 | S4-N6 PolarHBondContact O-N 3.11Å; N6-T8 PolarHBondContact O-N 2.9Å; N6-T8 PolarHBondContact OD1-N 3.27Å; N6-T8 PolarHBondContact OD1-OG1 3.16Å; N6-T8 VanDerWaalsContact OD1-OG1 3.11Å; N6-S9 WeakPolarHBondContact O-CB 3.5Å; N6-S9 PolarHBondContact O-N 2.93Å; N6-S9 PolarHBondContact O-OG 3.18Å | ||
| 7 | P | 51.4 | Low | 71.1 | Confident | 115 Ų | 115 | 103.4 Ų | 103.4 | 75% | 0.747 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -62 | -15.1 | -175.3 | 22.3 | -32.2 | 0 | 0 | 0 | 113.3 | S9 | P7-S9 VanDerWaalsContact C-N 3.27Å; P7-S9 PolarHBondContact O-N 3.12Å |
| 8 | T | 59 | Low | 72.4 | Confident | 100 Ų | 100 | 103.7 Ų | 103.7 | 61% | 0.613 | 57% | 0.567 | S | S | * | * | G | 310 helix | trans | -74 | -16.2 | 175.9 | -32.2 | 0 | 0 | 0 | 0 | 113.6 | N6 F10 A11 | N6-T8 PolarHBondContact O-N 2.9Å; N6-T8 PolarHBondContact OD1-N 3.27Å; N6-T8 PolarHBondContact OD1-OG1 3.16Å; N6-T8 VanDerWaalsContact OD1-OG1 3.11Å; T8-F10 VanDerWaalsContact C-N 3.29Å; T8-F10 PolarHBondContact O-N 2.96Å; T8-A11 PolarHBondContact O-N 3.22Å |
| 9 | S | 82.4 | Confident | 73.6 | Confident | 51 Ų | 51 | 100.5 Ų | 100.5 | 36% | 0.357 | 55% | 0.548 | S | S | . | . | G | 310 helix | trans | -63.8 | -27.8 | -166.9 | 54.7 | 0 | 0 | 0 | 0 | 114.7 | N6 P7 Y12 | N6-S9 WeakPolarHBondContact O-CB 3.5Å; N6-S9 PolarHBondContact O-N 2.93Å; N6-S9 PolarHBondContact O-OG 3.18Å; P7-S9 VanDerWaalsContact C-N 3.27Å; P7-S9 PolarHBondContact O-N 3.12Å; S9-Y12 WeakPolarHBondContact O-CD1 3.25Å; S9-Y12 WeakPolarHBondContact O-CE1 3.36Å |
| 10 | F | 91 | Very high | 74.8 | Confident | 20 Ų | 20 | 98.3 Ų | 98.3 | 9% | 0.088 | 54% | 0.535 | C | S | . | . | G | 310 helix | trans | -113.4 | 9.5 | -175.4 | -52.6 | -62.1 | 0 | 0 | 0 | 114.4 | T8 Y12 L13 V24 A33 K85 F87 | T8-F10 VanDerWaalsContact C-N 3.29Å; T8-F10 PolarHBondContact O-N 2.96Å; F10-Y12 HydrophobicContact CD1-CE1 4.29Å; F10-Y12 PolarHBondContact O-N 2.85Å; F10-L13 HydrophobicContact CB-CD1 4.06Å; F10-L13 WeakPolarHBondContact O-CB 3.44Å; F10-L13 PolarHBondContact O-N 3.43Å; F10-V24 HydrophobicContact CB-CG2 4.35Å; F10-V24 HydrophobicContact CD1-CG1 4.44Å; F10-V24 HydrophobicContact CD1-CG2 4.06Å; F10-V24 HydrophobicContact CD2-CG2 4.24Å; F10-V24 HydrophobicContact CE1-CG1 4.01Å; F10-V24 HydrophobicContact CE1-CG2 4.44Å; F10-V24 HydrophobicContact CE2-CG1 4.27Å; F10-V24 HydrophobicContact CG-CG2 3.95Å; F10-V24 HydrophobicContact CZ-CG1 3.91Å; F10-A33 HydrophobicContact CB-CB 4.5Å; F10-A33 HydrophobicContact CD2-CB 3.53Å; F10-A33 HydrophobicContact CE2-CB 4.14Å; F10-A33 HydrophobicContact CG-CB 4.32Å; F10-K85 HydrophobicContact CE1-CD 4.34Å; F10-K85 HydrophobicContact CZ-CD 4.14Å; F10-F87 AromaticContact CD1-CE1 3.94Å; F10-F87 HydrophobicContact CD1-CE1 3.94Å; F10-F87 AromaticContact CE1-CE1 3.83Å; F10-F87 HydrophobicContact CE1-CE1 3.83Å; F10-F87 HydrophobicContact CE1-CZ 4.33Å |
| 11 | A | 87 | Confident | 75.9 | Confident | 50 Ų | 50 | 93.6 Ų | 93.6 | 41% | 0.413 | 51% | 0.51 | S | S | . | . | G | 310 helix | trans | -59 | -22.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | T8 L13 A14 | T8-A11 PolarHBondContact O-N 3.22Å; A11-L13 PolarHBondContact O-N 3Å; A11-A14 WeakPolarHBondContact O-CB 3.4Å; A11-A14 PolarHBondContact O-N 3.5Å |
| 12 | Y | 93.1 | Very high | 78.8 | Confident | 120 Ų | 120 | 83.3 Ų | 83.3 | 47% | 0.471 | 46% | 0.458 | S | S | . | . | G | 310 helix | trans | -64.4 | -24.4 | 175 | 66.2 | -95.3 | 0 | 0 | 0 | 113.2 | S9 F10 A14 K15 F87 | S9-Y12 WeakPolarHBondContact O-CD1 3.25Å; S9-Y12 WeakPolarHBondContact O-CE1 3.36Å; F10-Y12 HydrophobicContact CD1-CE1 4.29Å; F10-Y12 PolarHBondContact O-N 2.85Å; Y12-A14 VanDerWaalsContact C-N 3.26Å; Y12-A14 PolarHBondContact O-N 2.82Å; Y12-K15 WeakPolarHBondContact O-CB 3.43Å; Y12-K15 PolarHBondContact O-N 3.01Å; Y12-K15 VanDerWaalsContact O-N 3.08Å; Y12-F87 VanDerWaalsContact OH-CE1 3.25Å; Y12-F87 WeakPolarHBondContact OH-CE1 3.13Å |
| 13 | L | 95.5 | Very high | 81.6 | Confident | 11 Ų | 11 | 71.8 Ų | 71.8 | 6% | 0.058 | 41% | 0.413 | C | S | . | . | G | 310 helix | trans | -66.5 | -29.1 | 177.2 | -65.1 | 175.8 | 0 | 0 | 0 | 112.3 | F10 A11 K15 V16 Y22 V24 F87 V89 | F10-L13 HydrophobicContact CB-CD1 4.06Å; F10-L13 WeakPolarHBondContact O-CB 3.44Å; F10-L13 PolarHBondContact O-N 3.43Å; A11-L13 PolarHBondContact O-N 3Å; L13-K15 PolarHBondContact O-N 3.39Å; L13-V16 WeakPolarHBondContact O-CG2 3.45Å; L13-V16 PolarHBondContact O-N 3Å; L13-Y22 HydrophobicContact CB-CD1 3.69Å; L13-Y22 HydrophobicContact CB-CD2 4.2Å; L13-Y22 HydrophobicContact CB-CE1 4Å; L13-Y22 HydrophobicContact CB-CE2 4.47Å; L13-Y22 HydrophobicContact CB-CG 3.82Å; L13-Y22 HydrophobicContact CD1-CD2 3.59Å; L13-Y22 HydrophobicContact CD1-CE2 4.03Å; L13-Y22 HydrophobicContact CD1-CG 3.92Å; L13-V24 HydrophobicContact CD1-CG2 3.61Å; L13-F87 HydrophobicContact CD1-CD1 4.32Å; L13-V89 HydrophobicContact CD2-CG2 4.11Å |
| 14 | A | 92.2 | Very high | 84.1 | Confident | 60 Ų | 60 | 66.8 Ų | 66.8 | 50% | 0.496 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -69.5 | -14.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A11 Y12 Y22 | A11-A14 WeakPolarHBondContact O-CB 3.4Å; A11-A14 PolarHBondContact O-N 3.5Å; Y12-A14 VanDerWaalsContact C-N 3.26Å; Y12-A14 PolarHBondContact O-N 2.82Å; A14-Y22 HydrophobicContact CB-CE1 4.38Å |
| 15 | K | 94.2 | Very high | 86.5 | Confident | 174 Ų | 174 | 61.8 Ų | 61.8 | 76% | 0.757 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -90.2 | -0.1 | 178.2 | -56.7 | -174.8 | -175.1 | -176.8 | 0 | 113 | Y12 L13 P17 | Y12-K15 WeakPolarHBondContact O-CB 3.43Å; Y12-K15 PolarHBondContact O-N 3.01Å; Y12-K15 VanDerWaalsContact O-N 3.08Å; L13-K15 PolarHBondContact O-N 3.39Å; K15-P17 WeakPolarHBondContact O-CD 3.14Å |
| 16 | V | 95.1 | Very high | 88.5 | Confident | 46 Ų | 46 | 58.4 Ų | 58.4 | 28% | 0.279 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -68.1 | 126 | 177.1 | 176.2 | 0 | 0 | 0 | 0 | 109 | L13 Q19 V89 I91 | L13-V16 WeakPolarHBondContact O-CG2 3.45Å; L13-V16 PolarHBondContact O-N 3Å; V16-Q19 HydrophobicContact CB-CB 3.98Å; V16-Q19 HydrophobicContact CB-CG 4.49Å; V16-Q19 HydrophobicContact CG1-CB 4.31Å; V16-Q19 WeakPolarHBondContact O-CB 3.3Å; V16-Q19 PolarHBondContact O-N 3.16Å; V16-V89 HydrophobicContact CB-CG1 4.37Å; V16-V89 HydrophobicContact CG1-CG1 4.18Å; V16-I91 HydrophobicContact CG1-CD1 3.97Å; V16-I91 HydrophobicContact CG1-CG1 4.36Å |
| 17 | P | 95.4 | Very high | 90.5 | Very high | 103 Ų | 103 | 58.5 Ų | 58.5 | 67% | 0.669 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 140.2 | 179.2 | -26.1 | 34.9 | 0 | 0 | 0 | 112.5 | K15 Q19 | K15-P17 WeakPolarHBondContact O-CD 3.14Å; P17-Q19 PolarHBondContact O-N 3.21Å; P17-Q19 VanDerWaalsContact O-N 3.12Å |
| 18 | N | 95.5 | Very high | 92.5 | Very high | 109 Ų | 109 | 59.3 Ų | 59.3 | 58% | 0.583 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 20.7 | -179.6 | -58 | -35.8 | 0 | 0 | 0 | 114.7 | I91 R92 | N18-I91 HydrophobicContact CB-CG2 4.09Å; N18-I91 WeakPolarHBondContact O-CA 3.25Å; N18-R92 HydrophobicContact CB-CB 4.26Å; N18-R92 PolarHBondContact O-N 3.1Å |
| 19 | Q | 95.5 | Very high | 94.2 | Very high | 42 Ų | 42 | 55.3 Ų | 55.3 | 20% | 0.196 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 136.1 | 176.1 | 178.2 | -87.7 | -14.9 | 0 | 0 | 110.7 | V16 P17 G21 V89 K90 | V16-Q19 HydrophobicContact CB-CB 3.98Å; V16-Q19 HydrophobicContact CB-CG 4.49Å; V16-Q19 HydrophobicContact CG1-CB 4.31Å; V16-Q19 WeakPolarHBondContact O-CB 3.3Å; V16-Q19 PolarHBondContact O-N 3.16Å; P17-Q19 PolarHBondContact O-N 3.21Å; P17-Q19 VanDerWaalsContact O-N 3.12Å; Q19-G21 PolarHBondContact NE2-O 3.19Å; Q19-V89 HydrophobicContact CB-CG1 4.06Å; Q19-V89 HydrophobicContact CG-CG1 3.41Å; Q19-V89 VanDerWaalsContact CG-CG1 3.41Å; Q19-K90 WeakPolarHBondContact CA-O 3.2Å |
| 20 | L | 97.6 | Very high | 94.9 | Very high | 57 Ų | 57 | 55.3 Ų | 55.3 | 30% | 0.298 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | -27.8 | 179.6 | -59.5 | 177.6 | 0 | 0 | 0 | 112.1 | G36 D37 F75 K90 R92 | L20-G36 WeakPolarHBondContact O-CA 3.38Å; L20-D37 PolarHBondContact O-N 3.44Å; L20-F75 HydrophobicContact CD1-CB 4.2Å; L20-K90 HydrophobicContact CB-CB 4.29Å; L20-K90 HydrophobicContact CB-CD 4.13Å; L20-K90 HydrophobicContact CB-CG 4.17Å; L20-K90 HydrophobicContact CD1-CD 4.38Å; L20-K90 HydrophobicContact CD1-CG 4.33Å; L20-K90 PolarHBondContact N-O 2.86Å; L20-R92 HydrophobicContact CD1-CB 4.02Å; L20-R92 HydrophobicContact CD2-CB 4.29Å; L20-R92 HydrophobicContact CG-CB 4.23Å |
| 21 | G | 97.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.9 | 159.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q19 S35 K90 | Q19-G21 PolarHBondContact NE2-O 3.19Å; G21-S35 CarbonylContact C-O 3.48Å; G21-S35 WeakPolarHBondContact CA-O 3.49Å; G21-K90 PolarHBondContact O-N 2.6Å |
| 22 | Y | 98.1 | Very high | 95.5 | Very high | 28 Ų | 28 | 57.7 Ų | 57.7 | 11% | 0.11 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 153.6 | 172.3 | 68.6 | -104.2 | 0 | 0 | 0 | 111.9 | L13 A14 V24 A33 S34 S35 V88 | L13-Y22 HydrophobicContact CB-CD1 3.69Å; L13-Y22 HydrophobicContact CB-CD2 4.2Å; L13-Y22 HydrophobicContact CB-CE1 4Å; L13-Y22 HydrophobicContact CB-CE2 4.47Å; L13-Y22 HydrophobicContact CB-CG 3.82Å; L13-Y22 HydrophobicContact CD1-CD2 3.59Å; L13-Y22 HydrophobicContact CD1-CE2 4.03Å; L13-Y22 HydrophobicContact CD1-CG 3.92Å; A14-Y22 HydrophobicContact CB-CE1 4.38Å; Y22-V24 HydrophobicContact CD2-CG2 4.47Å; Y22-A33 HydrophobicContact CE2-CB 4.28Å; Y22-S34 CarbonylContact O-C 3.58Å; Y22-S34 VanDerWaalsContact O-CA 3.25Å; Y22-S34 WeakPolarHBondContact O-CA 3.4Å; Y22-S35 PolarHBondContact N-O 3.28Å; Y22-S35 PolarHBondContact O-N 2.83Å; Y22-V88 CarbonylContact C-O 3.58Å; Y22-V88 WeakPolarHBondContact CA-O 3.45Å; Y22-V88 VanDerWaalsContact CB-O 3.26Å; Y22-V88 WeakPolarHBondContact CB-O 3.47Å |
| 23 | L | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 144.1 | 169.1 | -66.2 | 165.9 | 0 | 0 | 0 | 109.2 | L25 I31 A33 L38 T44 A45 V88 | L23-L25 HydrophobicContact CB-CD2 4.34Å; L23-I31 HydrophobicContact CD2-CD1 4.14Å; L23-I31 HydrophobicContact CD2-CG1 4.44Å; L23-I31 HydrophobicContact CD2-CG2 4.29Å; L23-A33 CarbonylContact C-O 3.57Å; L23-A33 WeakPolarHBondContact CA-O 3.43Å; L23-L38 HydrophobicContact CD1-CB 4.14Å; L23-L38 HydrophobicContact CD1-CD1 4.13Å; L23-L38 HydrophobicContact CD2-CB 4.08Å; L23-L38 WeakPolarHBondContact CD2-O 3.48Å; L23-L38 HydrophobicContact CG-CB 3.71Å; L23-L38 HydrophobicContact CG-CD1 3.98Å; L23-L38 HydrophobicContact CG-CG 4.41Å; L23-T44 HydrophobicContact CD1-CG2 4.03Å; L23-A45 HydrophobicContact CD1-CB 4.28Å; L23-V88 HydrophobicContact CB-CB 4.05Å; L23-V88 HydrophobicContact CB-CG2 4.31Å; L23-V88 PolarHBondContact N-O 2.94Å; L23-V88 PolarHBondContact O-N 3.49Å |
| 24 | V | 97.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 121.6 | 165.3 | -173.6 | 0 | 0 | 0 | 0 | 107.5 | F10 L13 Y22 L32 A33 K85 V86 F87 | F10-V24 HydrophobicContact CB-CG2 4.35Å; F10-V24 HydrophobicContact CD1-CG1 4.44Å; F10-V24 HydrophobicContact CD1-CG2 4.06Å; F10-V24 HydrophobicContact CD2-CG2 4.24Å; F10-V24 HydrophobicContact CE1-CG1 4.01Å; F10-V24 HydrophobicContact CE1-CG2 4.44Å; F10-V24 HydrophobicContact CE2-CG1 4.27Å; F10-V24 HydrophobicContact CG-CG2 3.95Å; F10-V24 HydrophobicContact CZ-CG1 3.91Å; L13-V24 HydrophobicContact CD1-CG2 3.61Å; Y22-V24 HydrophobicContact CD2-CG2 4.47Å; V24-L32 HydrophobicContact CB-CB 4.42Å; V24-L32 HydrophobicContact CG1-CB 4.34Å; V24-L32 HydrophobicContact CG1-CD1 4.3Å; V24-L32 WeakPolarHBondContact O-CB 3.38Å; V24-L32 PolarHBondContact O-N 3.29Å; V24-A33 HydrophobicContact CB-CB 4.19Å; V24-A33 HydrophobicContact CG2-CB 4.18Å; V24-A33 PolarHBondContact N-O 2.76Å; V24-A33 PolarHBondContact O-N 3.38Å; V24-K85 HydrophobicContact CG1-CB 4.33Å; V24-K85 HydrophobicContact CG1-CD 4.06Å; V24-V86 CarbonylContact C-O 3.59Å; V24-V86 WeakPolarHBondContact CA-O 3.35Å; V24-F87 HydrophobicContact CG1-CD1 4.17Å; V24-F87 HydrophobicContact CG1-CE1 3.99Å; V24-F87 HydrophobicContact CG2-CD1 4.01Å; V24-F87 HydrophobicContact CG2-CE1 4.29Å |
| 25 | L | 97 | Very high | 95.9 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 150.7 | 178.5 | -44.4 | 179.6 | 0 | 0 | 0 | 110.5 | L23 A30 I31 A45 H49 K85 V86 | L23-L25 HydrophobicContact CB-CD2 4.34Å; L25-A30 CarbonylContact C-O 3.57Å; L25-A30 VanDerWaalsContact CA-O 3.27Å; L25-A30 WeakPolarHBondContact CA-O 3.35Å; L25-I31 HydrophobicContact CD2-CB 4.34Å; L25-I31 HydrophobicContact CD2-CG1 3.71Å; L25-A45 HydrophobicContact CD1-CB 4.14Å; L25-A45 WeakPolarHBondContact CD1-O 3.19Å; L25-A45 HydrophobicContact CD2-CB 3.68Å; L25-H49 HydrophobicContact CD1-CB 4.24Å; L25-K85 CarbonylContact O-C 3.58Å; L25-K85 WeakPolarHBondContact O-CA 3.42Å; L25-K85 WeakPolarHBondContact O-CB 3.2Å; L25-V86 HydrophobicContact CB-CB 4.07Å; L25-V86 HydrophobicContact CB-CG2 4.41Å; L25-V86 HydrophobicContact CD1-CB 4.42Å; L25-V86 HydrophobicContact CG-CB 4.38Å; L25-V86 PolarHBondContact N-O 2.83Å; L25-V86 PolarHBondContact O-N 2.85Å |
| 26 | N | 95.3 | Very high | 96 | Very high | 36 Ų | 36 | 46.4 Ų | 46.4 | 19% | 0.193 | 28% | 0.277 | C | S | . | . | trans | -81.2 | -177.1 | 164.9 | 76.9 | -11.1 | 0 | 0 | 0 | 111.3 | D28 G29 A30 L32 | N26-D28 PolarHBondContact ND2-OD2 3.07Å; N26-D28 VanDerWaalsContact ND2-OD2 3.12Å; N26-D28 PolarHBondContact O-N 3.01Å; N26-D28 WeakPolarHBondContact OD1-CA 3.49Å; N26-D28 PolarHBondContact OD1-N 3.1Å; N26-D28 VanDerWaalsContact OD1-N 3.07Å; N26-G29 PolarHBondContact O-N 3.3Å; N26-G29 VanDerWaalsContact O-N 3.1Å; N26-G29 PolarHBondContact OD1-N 3.5Å; N26-A30 PolarHBondContact N-O 2.97Å; N26-A30 WeakPolarHBondContact OD1-CB 3.27Å; N26-A30 PolarHBondContact OD1-N 2.98Å; N26-A30 PolarHBondContact OD1-O 2.8Å; N26-L32 HydrophobicContact CB-CD1 3.96Å; N26-L32 HydrophobicContact CB-CD2 4.14Å; N26-L32 HydrophobicContact CB-CG 4.07Å | ||
| 27 | E | 92.9 | Very high | 96.1 | Very high | 107 Ų | 107 | 48.6 Ų | 48.6 | 50% | 0.5 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -30.9 | 178.4 | -169.4 | 164.3 | -157.1 | 0 | 0 | 112.8 | G29 H49 K84 | E27-G29 VanDerWaalsContact C-N 3.33Å; E27-H49 PolarHBondContact O-NE2 2.79Å; E27-K84 PolarHBondContact N-O 3.26Å; E27-K84 IonicContact OE2-NZ 3.37Å; E27-K84 PolarHBondContact OE2-NZ 2.88Å |
| 28 | D | 94.4 | Very high | 96.2 | Very high | 131 Ų | 131 | 43.7 Ų | 43.7 | 70% | 0.701 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -3.1 | 178.6 | -47.3 | -58.5 | 0 | 0 | 0 | 113.8 | N26 | N26-D28 PolarHBondContact ND2-OD2 3.07Å; N26-D28 VanDerWaalsContact ND2-OD2 3.12Å; N26-D28 PolarHBondContact O-N 3.01Å; N26-D28 WeakPolarHBondContact OD1-CA 3.49Å; N26-D28 PolarHBondContact OD1-N 3.1Å; N26-D28 VanDerWaalsContact OD1-N 3.07Å |
| 29 | G | 95.3 | Very high | 96.3 | Very high | 16 Ų | 16 | 43 Ų | 43 | 17% | 0.165 | 25% | 0.251 | C | S | . | . | trans | 84.4 | 5.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | N26 E27 H49 | N26-G29 PolarHBondContact O-N 3.3Å; N26-G29 VanDerWaalsContact O-N 3.1Å; N26-G29 PolarHBondContact OD1-N 3.5Å; E27-G29 VanDerWaalsContact C-N 3.33Å; G29-H49 WeakPolarHBondContact CA-CD2 3.5Å; G29-H49 PolarHBondContact N-CD2 2.76Å; G29-H49 VanDerWaalsContact N-CD2 3.34Å; G29-H49 PolarHBondContact N-NE2 2.94Å | ||
| 30 | A | 95.8 | Very high | 96.3 | Very high | 51 Ų | 51 | 49 Ų | 49 | 42% | 0.421 | 27% | 0.273 | S | S | . | . | trans | -71.9 | 137.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L25 N26 L32 | L25-A30 CarbonylContact C-O 3.57Å; L25-A30 VanDerWaalsContact CA-O 3.27Å; L25-A30 WeakPolarHBondContact CA-O 3.35Å; N26-A30 PolarHBondContact N-O 2.97Å; N26-A30 WeakPolarHBondContact OD1-CB 3.27Å; N26-A30 PolarHBondContact OD1-N 2.98Å; N26-A30 PolarHBondContact OD1-O 2.8Å; A30-L32 PolarHBondContact O-N 2.88Å | ||
| 31 | I | 96.3 | Very high | 96.3 | Very high | 53 Ų | 53 | 48.4 Ų | 48.4 | 27% | 0.272 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 116.3 | 179.5 | -59.3 | 175.2 | 0 | 0 | 0 | 109.6 | L23 L25 Q42 A45 | L23-I31 HydrophobicContact CD2-CD1 4.14Å; L23-I31 HydrophobicContact CD2-CG1 4.44Å; L23-I31 HydrophobicContact CD2-CG2 4.29Å; L25-I31 HydrophobicContact CD2-CB 4.34Å; L25-I31 HydrophobicContact CD2-CG1 3.71Å; I31-Q42 HydrophobicContact CD1-CG 4.24Å; I31-A45 HydrophobicContact CD1-CB 4.02Å; I31-A45 HydrophobicContact CG1-CB 3.91Å |
| 32 | L | 95 | Very high | 96.3 | Very high | 68 Ų | 68 | 55.6 Ų | 55.6 | 36% | 0.356 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | -38.1 | 172.8 | -62.6 | 178.1 | 0 | 0 | 0 | 112 | V24 N26 A30 K85 | V24-L32 HydrophobicContact CB-CB 4.42Å; V24-L32 HydrophobicContact CG1-CB 4.34Å; V24-L32 HydrophobicContact CG1-CD1 4.3Å; V24-L32 WeakPolarHBondContact O-CB 3.38Å; V24-L32 PolarHBondContact O-N 3.29Å; N26-L32 HydrophobicContact CB-CD1 3.96Å; N26-L32 HydrophobicContact CB-CD2 4.14Å; N26-L32 HydrophobicContact CB-CG 4.07Å; A30-L32 PolarHBondContact O-N 2.88Å; L32-K85 HydrophobicContact CD1-CD 3.91Å; L32-K85 HydrophobicContact CD1-CG 4.14Å |
| 33 | A | 95.4 | Very high | 96.2 | Very high | 21 Ų | 21 | 58.6 Ų | 58.6 | 17% | 0.174 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 148.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | F10 Y22 L23 V24 | F10-A33 HydrophobicContact CB-CB 4.5Å; F10-A33 HydrophobicContact CD2-CB 3.53Å; F10-A33 HydrophobicContact CE2-CB 4.14Å; F10-A33 HydrophobicContact CG-CB 4.32Å; Y22-A33 HydrophobicContact CE2-CB 4.28Å; L23-A33 CarbonylContact C-O 3.57Å; L23-A33 WeakPolarHBondContact CA-O 3.43Å; V24-A33 HydrophobicContact CB-CB 4.19Å; V24-A33 HydrophobicContact CG2-CB 4.18Å; V24-A33 PolarHBondContact N-O 2.76Å; V24-A33 PolarHBondContact O-N 3.38Å |
| 34 | S | 95.9 | Very high | 96.3 | Very high | 19 Ų | 19 | 59.6 Ų | 59.6 | 13% | 0.133 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 153.3 | 177.9 | 62.6 | 0 | 0 | 0 | 0 | 111.9 | Y22 Y40 | Y22-S34 CarbonylContact O-C 3.58Å; Y22-S34 VanDerWaalsContact O-CA 3.25Å; Y22-S34 WeakPolarHBondContact O-CA 3.4Å; S34-Y40 PolarHBondContact OG-N 2.95Å |
| 35 | S | 96.5 | Very high | 96.3 | Very high | 43 Ų | 43 | 59.8 Ų | 59.8 | 30% | 0.301 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 162.8 | 178.8 | -165.9 | 0 | 0 | 0 | 0 | 112.4 | G21 Y22 L38 | G21-S35 CarbonylContact C-O 3.48Å; G21-S35 WeakPolarHBondContact CA-O 3.49Å; Y22-S35 PolarHBondContact N-O 3.28Å; Y22-S35 PolarHBondContact O-N 2.83Å; S35-L38 PolarHBondContact O-N 3.33Å |
| 36 | G | 97 | Very high | 96.3 | Very high | 45 Ų | 45 | 61.9 Ų | 61.9 | 46% | 0.464 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 58.9 | -138.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L20 L38 L39 | L20-G36 WeakPolarHBondContact O-CA 3.38Å; G36-L38 PolarHBondContact O-N 3.03Å; G36-L39 VanDerWaalsContact O-CB 3.3Å; G36-L39 WeakPolarHBondContact O-CB 3.49Å; G36-L39 PolarHBondContact O-N 3.39Å |
| 37 | D | 97.7 | Very high | 96.4 | Very high | 91 Ų | 91 | 67.1 Ų | 67.1 | 49% | 0.487 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -17 | 178.2 | -78.9 | 9 | 0 | 0 | 0 | 114.6 | L20 K90 | L20-D37 PolarHBondContact O-N 3.44Å; D37-K90 HydrophobicContact CB-CD 3.82Å; D37-K90 WeakPolarHBondContact OD2-CE 3.49Å; D37-K90 IonicContact OD2-NZ 2.73Å; D37-K90 PolarHBondContact OD2-NZ 2.92Å |
| 38 | L | 97.5 | Very high | 96.5 | Very high | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | 12.5 | -178.4 | -58.4 | -179.8 | 0 | 0 | 0 | 112.8 | L23 S35 G36 Y40 D41 T44 Y77 V88 K90 | L23-L38 HydrophobicContact CD1-CB 4.14Å; L23-L38 HydrophobicContact CD1-CD1 4.13Å; L23-L38 HydrophobicContact CD2-CB 4.08Å; L23-L38 WeakPolarHBondContact CD2-O 3.48Å; L23-L38 HydrophobicContact CG-CB 3.71Å; L23-L38 HydrophobicContact CG-CD1 3.98Å; L23-L38 HydrophobicContact CG-CG 4.41Å; S35-L38 PolarHBondContact O-N 3.33Å; G36-L38 PolarHBondContact O-N 3.03Å; L38-Y40 PolarHBondContact O-N 3.08Å; L38-D41 PolarHBondContact O-N 2.77Å; L38-D41 VanDerWaalsContact O-N 3.17Å; L38-T44 HydrophobicContact CD2-CG2 4.05Å; L38-Y77 HydrophobicContact CD1-CD1 4.42Å; L38-Y77 HydrophobicContact CD1-CE1 4.03Å; L38-Y77 HydrophobicContact CD2-CE1 3.95Å; L38-Y77 HydrophobicContact CG-CE1 4.47Å; L38-V88 HydrophobicContact CD1-CG1 4.19Å; L38-K90 HydrophobicContact CD1-CB 4.08Å; L38-K90 HydrophobicContact CG-CB 4.37Å |
| 39 | L | 97.3 | Very high | 96.6 | Very high | 93 Ų | 93 | 57.9 Ų | 57.9 | 49% | 0.487 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 114.8 | 179.6 | -176 | 67 | 0 | 0 | 0 | 110.6 | G36 D41 | G36-L39 VanDerWaalsContact O-CB 3.3Å; G36-L39 WeakPolarHBondContact O-CB 3.49Å; G36-L39 PolarHBondContact O-N 3.39Å; L39-D41 PolarHBondContact O-N 3.09Å; L39-D41 VanDerWaalsContact O-N 3.15Å |
| 40 | Y | 95.8 | Very high | 96.6 | Very high | 169 Ų | 169 | 65.5 Ų | 65.5 | 66% | 0.663 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 24.7 | -176.2 | -48.7 | -60.8 | 0 | 0 | 0 | 115.6 | S34 L38 Q42 | S34-Y40 PolarHBondContact OG-N 2.95Å; L38-Y40 PolarHBondContact O-N 3.08Å; Y40-Q42 PolarHBondContact O-N 2.74Å |
| 41 | D | 97.4 | Very high | 96.4 | Very high | 44 Ų | 44 | 67.1 Ų | 67.1 | 24% | 0.235 | 34% | 0.344 | C | S | . | . | trans | -74.8 | 88.5 | 178.5 | -174.8 | -7.6 | 0 | 0 | 0 | 111.4 | L38 L39 T43 T44 A45 | L38-D41 PolarHBondContact O-N 2.77Å; L38-D41 VanDerWaalsContact O-N 3.17Å; L39-D41 PolarHBondContact O-N 3.09Å; L39-D41 VanDerWaalsContact O-N 3.15Å; D41-T43 VanDerWaalsContact C-N 3.29Å; D41-T43 PolarHBondContact O-N 3.05Å; D41-T43 WeakPolarHBondContact OD1-CB 3.35Å; D41-T43 PolarHBondContact OD1-N 2.89Å; D41-T43 VanDerWaalsContact OD1-N 3.1Å; D41-T44 VanDerWaalsContact CG-CB 3.5Å; D41-T44 VanDerWaalsContact CG-OG1 3.28Å; D41-T44 PolarHBondContact OD1-N 3.45Å; D41-T44 WeakPolarHBondContact OD2-CB 3.21Å; D41-T44 PolarHBondContact OD2-OG1 3.42Å; D41-A45 WeakPolarHBondContact O-CB 3.49Å; D41-A45 PolarHBondContact O-N 3.16Å; D41-A45 VanDerWaalsContact O-N 3.09Å | ||
| 42 | Q | 97 | Very high | 96.2 | Very high | 151 Ų | 151 | 65.6 Ų | 65.6 | 71% | 0.706 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -67.1 | -29.8 | 178.8 | -64.4 | -177.6 | 6.5 | 0 | 0 | 112.7 | I31 Y40 A45 A46 | I31-Q42 HydrophobicContact CD1-CG 4.24Å; Y40-Q42 PolarHBondContact O-N 2.74Å; Q42-A45 PolarHBondContact O-N 2.84Å; Q42-A46 VanDerWaalsContact O-CB 3.32Å; Q42-A46 WeakPolarHBondContact O-CB 3.37Å; Q42-A46 PolarHBondContact O-N 3.49Å |
| 43 | T | 97.4 | Very high | 95.9 | Very high | 91 Ų | 91 | 67.4 Ų | 67.4 | 56% | 0.558 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -67.2 | -51.9 | -179.3 | -59.2 | 0 | 0 | 0 | 0 | 109.6 | D41 A45 A46 Y47 | D41-T43 VanDerWaalsContact C-N 3.29Å; D41-T43 PolarHBondContact O-N 3.05Å; D41-T43 WeakPolarHBondContact OD1-CB 3.35Å; D41-T43 PolarHBondContact OD1-N 2.89Å; D41-T43 VanDerWaalsContact OD1-N 3.1Å; T43-A45 VanDerWaalsContact C-N 3.33Å; T43-A45 PolarHBondContact O-N 3.03Å; T43-A46 PolarHBondContact O-N 3.23Å; T43-Y47 HydrophobicContact CG2-CD2 3.81Å; T43-Y47 HydrophobicContact CG2-CE2 3.5Å; T43-Y47 WeakPolarHBondContact O-CD2 3.23Å; T43-Y47 PolarHBondContact O-N 3.23Å |
| 44 | T | 97.2 | Very high | 95.6 | Very high | 22 Ų | 22 | 69.7 Ų | 69.7 | 14% | 0.135 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.3 | -41 | 175.6 | -63.9 | 0 | 0 | 0 | 0 | 111.4 | L23 L38 D41 A46 Y47 I48 | L23-T44 HydrophobicContact CD1-CG2 4.03Å; L38-T44 HydrophobicContact CD2-CG2 4.05Å; D41-T44 VanDerWaalsContact CG-CB 3.5Å; D41-T44 VanDerWaalsContact CG-OG1 3.28Å; D41-T44 PolarHBondContact OD1-N 3.45Å; D41-T44 WeakPolarHBondContact OD2-CB 3.21Å; D41-T44 PolarHBondContact OD2-OG1 3.42Å; T44-A46 PolarHBondContact O-N 2.84Å; T44-Y47 PolarHBondContact O-N 3.34Å; T44-I48 HydrophobicContact CG2-CD1 3.59Å; T44-I48 HydrophobicContact CG2-CG1 4.24Å; T44-I48 WeakPolarHBondContact O-CB 3.23Å; T44-I48 WeakPolarHBondContact O-CG1 3.25Å; T44-I48 PolarHBondContact O-N 3.48Å |
| 45 | A | 98 | Very high | 94.9 | Very high | 3 Ų | 3 | 72.6 Ų | 72.6 | 3% | 0.025 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -57.3 | -47.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L23 L25 I31 D41 Q42 T43 I48 H49 | L23-A45 HydrophobicContact CD1-CB 4.28Å; L25-A45 HydrophobicContact CD1-CB 4.14Å; L25-A45 WeakPolarHBondContact CD1-O 3.19Å; L25-A45 HydrophobicContact CD2-CB 3.68Å; I31-A45 HydrophobicContact CD1-CB 4.02Å; I31-A45 HydrophobicContact CG1-CB 3.91Å; D41-A45 WeakPolarHBondContact O-CB 3.49Å; D41-A45 PolarHBondContact O-N 3.16Å; D41-A45 VanDerWaalsContact O-N 3.09Å; Q42-A45 PolarHBondContact O-N 2.84Å; T43-A45 VanDerWaalsContact C-N 3.33Å; T43-A45 PolarHBondContact O-N 3.03Å; A45-I48 PolarHBondContact O-N 2.86Å; A45-H49 VanDerWaalsContact O-CB 3.25Å; A45-H49 WeakPolarHBondContact O-CB 3.27Å; A45-H49 PolarHBondContact O-N 2.89Å |
| 46 | A | 97.4 | Very high | 94.1 | Very high | 45 Ų | 45 | 72.8 Ų | 72.8 | 37% | 0.372 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.4 | -42.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q42 T43 T44 R50 | Q42-A46 VanDerWaalsContact O-CB 3.32Å; Q42-A46 WeakPolarHBondContact O-CB 3.37Å; Q42-A46 PolarHBondContact O-N 3.49Å; T43-A46 PolarHBondContact O-N 3.23Å; T44-A46 PolarHBondContact O-N 2.84Å; A46-R50 WeakPolarHBondContact O-CG 3.15Å; A46-R50 PolarHBondContact O-N 2.89Å |
| 47 | Y | 96.7 | Very high | 93 | Very high | 146 Ų | 146 | 73.9 Ų | 73.9 | 57% | 0.573 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -63.9 | -48.6 | 176.2 | -78.9 | -63 | 0 | 0 | 0 | 111.8 | T43 T44 H49 R50 M51 | T43-Y47 HydrophobicContact CG2-CD2 3.81Å; T43-Y47 HydrophobicContact CG2-CE2 3.5Å; T43-Y47 WeakPolarHBondContact O-CD2 3.23Å; T43-Y47 PolarHBondContact O-N 3.23Å; T44-Y47 PolarHBondContact O-N 3.34Å; Y47-H49 PolarHBondContact O-N 2.81Å; Y47-R50 PolarHBondContact O-N 2.84Å; Y47-M51 VanDerWaalsContact O-CG 3.3Å; Y47-M51 WeakPolarHBondContact O-CG 3.37Å; Y47-M51 PolarHBondContact O-N 2.85Å |
| 48 | I | 96.5 | Very high | 92 | Very high | 7 Ų | 7 | 74.9 Ų | 74.9 | 4% | 0.036 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.5 | -41.7 | 180 | -69.2 | 176.2 | 0 | 0 | 0 | 110.9 | T44 A45 R50 M51 V52 I79 V86 V88 | T44-I48 HydrophobicContact CG2-CD1 3.59Å; T44-I48 HydrophobicContact CG2-CG1 4.24Å; T44-I48 WeakPolarHBondContact O-CB 3.23Å; T44-I48 WeakPolarHBondContact O-CG1 3.25Å; T44-I48 PolarHBondContact O-N 3.48Å; A45-I48 PolarHBondContact O-N 2.86Å; I48-R50 PolarHBondContact O-N 3.46Å; I48-M51 WeakPolarHBondContact O-CB 3.26Å; I48-M51 PolarHBondContact O-N 3Å; I48-M51 VanDerWaalsContact O-N 3.15Å; I48-V52 HydrophobicContact CG2-CG1 4.39Å; I48-V52 WeakPolarHBondContact O-CG1 3.48Å; I48-V52 PolarHBondContact O-N 3.26Å; I48-I79 HydrophobicContact CD1-CD1 4.12Å; I48-I79 HydrophobicContact CD1-CG1 4.31Å; I48-I79 HydrophobicContact CG1-CD1 4.05Å; I48-I79 HydrophobicContact CG2-CD1 3.94Å; I48-I79 HydrophobicContact CG2-CG1 4.18Å; I48-I79 HydrophobicContact CG2-CG2 3.98Å; I48-V86 HydrophobicContact CG2-CG1 3.99Å; I48-V88 HydrophobicContact CD1-CB 4.16Å; I48-V88 HydrophobicContact CD1-CG1 3.38Å; I48-V88 HydrophobicContact CD1-CG2 3.71Å; I48-V88 HydrophobicContact CG2-CG2 3.78Å |
| 49 | H | 95.7 | Very high | 91 | Very high | 36 Ų | 36 | 80.2 Ų | 80.2 | 17% | 0.167 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -57.5 | -49.1 | 175.5 | -177.4 | -103.3 | 0 | 0 | 0 | 110.8 | L25 E27 G29 A45 Y47 M51 V52 Q53 | L25-H49 HydrophobicContact CD1-CB 4.24Å; E27-H49 PolarHBondContact O-NE2 2.79Å; G29-H49 WeakPolarHBondContact CA-CD2 3.5Å; G29-H49 PolarHBondContact N-CD2 2.76Å; G29-H49 VanDerWaalsContact N-CD2 3.34Å; G29-H49 PolarHBondContact N-NE2 2.94Å; A45-H49 VanDerWaalsContact O-CB 3.25Å; A45-H49 WeakPolarHBondContact O-CB 3.27Å; A45-H49 PolarHBondContact O-N 2.89Å; Y47-H49 PolarHBondContact O-N 2.81Å; H49-M51 VanDerWaalsContact C-N 3.3Å; H49-M51 PolarHBondContact O-N 3.27Å; H49-V52 VanDerWaalsContact O-CG2 3.23Å; H49-V52 WeakPolarHBondContact O-CG2 3.39Å; H49-V52 PolarHBondContact O-N 3.31Å; H49-Q53 PolarHBondContact NE2-NE2 3.31Å; H49-Q53 WeakPolarHBondContact O-CG 3.47Å; H49-Q53 PolarHBondContact O-N 3Å; H49-Q53 VanDerWaalsContact O-N 3.16Å |
| 50 | R | 94.7 | Very high | 90.2 | Very high | 176 Ų | 176 | 79.3 Ų | 79.3 | 66% | 0.664 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -58.4 | -40.2 | 174.9 | -72 | 175.2 | -175.6 | -179.8 | 2.3 | 113 | A46 Y47 I48 V52 Q53 | A46-R50 WeakPolarHBondContact O-CG 3.15Å; A46-R50 PolarHBondContact O-N 2.89Å; Y47-R50 PolarHBondContact O-N 2.84Å; I48-R50 PolarHBondContact O-N 3.46Å; R50-V52 PolarHBondContact O-N 3.28Å; R50-Q53 PolarHBondContact O-N 2.96Å |
| 51 | M | 92.6 | Very high | 89.1 | Confident | 86 Ų | 86 | 76 Ų | 76 | 42% | 0.424 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62 | -42.4 | 178.7 | -71.8 | 175.1 | 70.8 | 0 | 0 | 112.4 | Y47 I48 H49 Q53 V54 V70 | Y47-M51 VanDerWaalsContact O-CG 3.3Å; Y47-M51 WeakPolarHBondContact O-CG 3.37Å; Y47-M51 PolarHBondContact O-N 2.85Å; I48-M51 WeakPolarHBondContact O-CB 3.26Å; I48-M51 PolarHBondContact O-N 3Å; I48-M51 VanDerWaalsContact O-N 3.15Å; H49-M51 VanDerWaalsContact C-N 3.3Å; H49-M51 PolarHBondContact O-N 3.27Å; M51-Q53 VanDerWaalsContact C-N 3.33Å; M51-V54 WeakPolarHBondContact O-CG2 3.25Å; M51-V54 PolarHBondContact O-N 3.15Å; M51-V70 HydrophobicContact CE-CG2 3.66Å |
| 52 | V | 91.4 | Very high | 88.3 | Confident | 20 Ų | 20 | 81.4 Ų | 81.4 | 12% | 0.121 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -80.2 | -16.1 | -176.8 | -57.5 | 0 | 0 | 0 | 0 | 113.6 | I48 H49 R50 V54 I68 I79 L81 V86 | I48-V52 HydrophobicContact CG2-CG1 4.39Å; I48-V52 WeakPolarHBondContact O-CG1 3.48Å; I48-V52 PolarHBondContact O-N 3.26Å; H49-V52 VanDerWaalsContact O-CG2 3.23Å; H49-V52 WeakPolarHBondContact O-CG2 3.39Å; H49-V52 PolarHBondContact O-N 3.31Å; R50-V52 PolarHBondContact O-N 3.28Å; V52-V54 VanDerWaalsContact C-N 3.26Å; V52-I68 HydrophobicContact CG1-CD1 4.27Å; V52-I79 HydrophobicContact CG1-CG2 3.84Å; V52-L81 HydrophobicContact CB-CD1 3.94Å; V52-L81 HydrophobicContact CB-CD2 4.08Å; V52-L81 HydrophobicContact CB-CG 4.42Å; V52-L81 HydrophobicContact CG1-CD1 3.66Å; V52-L81 HydrophobicContact CG2-CD2 4.44Å; V52-V86 HydrophobicContact CG1-CG1 4.22Å; V52-V86 HydrophobicContact CG2-CG1 4.47Å; V52-V86 HydrophobicContact CG2-CG2 3.9Å |
| 53 | Q | 89.9 | Confident | 87.3 | Confident | 106 Ų | 106 | 80.8 Ų | 80.8 | 50% | 0.495 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -8.2 | 174.1 | -66.9 | -63.4 | -28.4 | 0 | 0 | 112.9 | H49 R50 M51 P55 | H49-Q53 PolarHBondContact NE2-NE2 3.31Å; H49-Q53 WeakPolarHBondContact O-CG 3.47Å; H49-Q53 PolarHBondContact O-N 3Å; H49-Q53 VanDerWaalsContact O-N 3.16Å; R50-Q53 PolarHBondContact O-N 2.96Å; M51-Q53 VanDerWaalsContact C-N 3.33Å; Q53-P55 WeakPolarHBondContact O-CD 3.1Å |
| 54 | V | 87.9 | Confident | 86.3 | Confident | 69 Ų | 69 | 81.2 Ų | 81.2 | 42% | 0.418 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -63.6 | 123.4 | 175.7 | 179 | 0 | 0 | 0 | 0 | 108.9 | M51 V52 V56 I59 | M51-V54 WeakPolarHBondContact O-CG2 3.25Å; M51-V54 PolarHBondContact O-N 3.15Å; V52-V54 VanDerWaalsContact C-N 3.26Å; V54-V56 PolarHBondContact O-N 2.96Å; V54-I59 HydrophobicContact CG1-CD1 3.64Å |
| 55 | P | 81.2 | Confident | 85.7 | Confident | 81 Ų | 81 | 83 Ų | 83 | 53% | 0.526 | 45% | 0.454 | S | S | . | . | trans | -61.3 | 103.4 | -179.4 | -23.2 | 33.8 | 0 | 0 | 0 | 110.7 | Q53 A57 T58 | Q53-P55 WeakPolarHBondContact O-CD 3.1Å; P55-A57 PolarHBondContact O-N 2.83Å; P55-T58 HydrophobicContact CB-CG2 4.09Å; P55-T58 PolarHBondContact O-N 3.29Å; P55-T58 VanDerWaalsContact O-N 3.09Å; P55-T58 PolarHBondContact O-OG1 3.04Å | ||
| 56 | V | 79.3 | Confident | 85.2 | Confident | 46 Ų | 46 | 87.9 Ų | 87.9 | 28% | 0.279 | 49% | 0.488 | S | S | . | . | G | 310 helix | trans | -61.9 | -33.6 | -177.1 | -179.3 | 0 | 0 | 0 | 0 | 110.9 | V54 T58 I59 L60 E63 P65 | V54-V56 PolarHBondContact O-N 2.96Å; V56-T58 PolarHBondContact O-N 3.05Å; V56-I59 CarbonylContact O-C 3.53Å; V56-I59 WeakPolarHBondContact O-CA 3.41Å; V56-I59 PolarHBondContact O-N 3.4Å; V56-L60 HydrophobicContact CG1-CB 3.96Å; V56-L60 HydrophobicContact CG1-CD1 4.24Å; V56-L60 HydrophobicContact CG1-CG 4.47Å; V56-L60 CarbonylContact O-C 3.51Å; V56-L60 PolarHBondContact O-N 2.94Å; V56-E63 WeakPolarHBondContact CG1-O 3.44Å; V56-P65 HydrophobicContact CG2-CG 4.29Å |
| 57 | A | 74.8 | Confident | 85 | Confident | 69 Ų | 69 | 91.6 Ų | 91.6 | 57% | 0.57 | 49% | 0.492 | S | S | * | . | G | 310 helix | trans | -57.6 | -23.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114 | P55 I59 P61 | P55-A57 PolarHBondContact O-N 2.83Å; A57-I59 VanDerWaalsContact C-N 3.31Å; A57-P61 VanDerWaalsContact O-CA 3.3Å; A57-P61 WeakPolarHBondContact O-CA 3.3Å |
| 58 | T | 76.4 | Confident | 84.8 | Confident | 111 Ų | 111 | 86.8 Ų | 86.8 | 68% | 0.681 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -80.2 | -15.9 | 175.5 | 60 | 0 | 0 | 0 | 0 | 113 | P55 V56 | P55-T58 HydrophobicContact CB-CG2 4.09Å; P55-T58 PolarHBondContact O-N 3.29Å; P55-T58 VanDerWaalsContact O-N 3.09Å; P55-T58 PolarHBondContact O-OG1 3.04Å; V56-T58 PolarHBondContact O-N 3.05Å |
| 59 | I | 77.4 | Confident | 84.8 | Confident | 113 Ų | 113 | 91.5 Ų | 91.5 | 58% | 0.579 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.5 | -41.8 | -177.1 | -52.5 | 177 | 0 | 0 | 0 | 110.3 | V54 V56 A57 | V54-I59 HydrophobicContact CG1-CD1 3.64Å; V56-I59 CarbonylContact O-C 3.53Å; V56-I59 WeakPolarHBondContact O-CA 3.41Å; V56-I59 PolarHBondContact O-N 3.4Å; A57-I59 VanDerWaalsContact C-N 3.31Å |
| 60 | L | 79.4 | Confident | 84.8 | Confident | 75 Ų | 75 | 91.5 Ų | 91.5 | 39% | 0.393 | 50% | 0.503 | S | S | . | . | trans | -135.5 | 81.5 | -177.2 | -59.9 | 173.6 | 0 | 0 | 0 | 108.3 | V56 N62 E63 | V56-L60 HydrophobicContact CG1-CB 3.96Å; V56-L60 HydrophobicContact CG1-CD1 4.24Å; V56-L60 HydrophobicContact CG1-CG 4.47Å; V56-L60 CarbonylContact O-C 3.51Å; V56-L60 PolarHBondContact O-N 2.94Å; L60-N62 PolarHBondContact O-N 2.84Å; L60-E63 HydrophobicContact CB-CB 4.15Å; L60-E63 WeakPolarHBondContact CB-O 3.31Å; L60-E63 PolarHBondContact O-N 3.49Å; L60-E63 VanDerWaalsContact O-N 3.16Å | ||
| 61 | P | 73.9 | Confident | 84.9 | Confident | 98 Ų | 98 | 92.3 Ų | 92.3 | 64% | 0.636 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -21.7 | -169.9 | 18.9 | -30.7 | 0 | 0 | 0 | 114.7 | A57 | A57-P61 VanDerWaalsContact O-CA 3.3Å; A57-P61 WeakPolarHBondContact O-CA 3.3Å |
| 62 | N | 79.4 | Confident | 85.1 | Confident | 159 Ų | 159 | 92.7 Ų | 92.7 | 85% | 0.85 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117 | 5.6 | -177 | -60.9 | -35.7 | 0 | 0 | 0 | 113.5 | L60 | L60-N62 PolarHBondContact O-N 2.84Š|
| 63 | E | 76.3 | Confident | 85.3 | Confident | 137 Ų | 137 | 99.5 Ų | 99.5 | 64% | 0.64 | 54% | 0.542 | S | S | * | . | trans | -138.5 | 135.6 | -175.4 | -57.5 | -175.4 | 166 | 0 | 0 | 111 | V56 L60 | V56-E63 WeakPolarHBondContact CG1-O 3.44Å; L60-E63 HydrophobicContact CB-CB 4.15Å; L60-E63 WeakPolarHBondContact CB-O 3.31Å; L60-E63 PolarHBondContact O-N 3.49Å; L60-E63 VanDerWaalsContact O-N 3.16Å | ||
| 64 | S | 77.1 | Confident | 85.6 | Confident | 101 Ų | 101 | 97.5 Ų | 97.5 | 71% | 0.706 | 54% | 0.543 | S | S | * | . | trans | -115.3 | 127.1 | 168.2 | 60.5 | 0 | 0 | 0 | 0 | 108.9 | S66 | S64-S66 PolarHBondContact O-N 2.89Š| ||
| 65 | P | 83.8 | Confident | 86 | Confident | 58 Ų | 58 | 96.3 Ų | 96.3 | 38% | 0.377 | 53% | 0.532 | S | S | . | . | trans | -63 | 124.2 | -179.8 | 27 | -34.7 | 0 | 0 | 0 | 109.5 | V56 R67 I68 | V56-P65 HydrophobicContact CG2-CG 4.29Å; P65-R67 PolarHBondContact O-N 3.29Å; P65-I68 HydrophobicContact CB-CG1 4.11Å; P65-I68 HydrophobicContact CG-CD1 4.28Å; P65-I68 HydrophobicContact CG-CG1 4.01Å | ||
| 66 | S | 87.2 | Confident | 86.8 | Confident | 106 Ų | 106 | 94.5 Ų | 94.5 | 74% | 0.741 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -68.3 | -25.7 | 171.1 | 59.1 | 0 | 0 | 0 | 0 | 111.9 | S64 | S64-S66 PolarHBondContact O-N 2.89Š|
| 67 | R | 93.2 | Very high | 87.7 | Confident | 123 Ų | 123 | 93.5 Ų | 93.5 | 46% | 0.464 | 51% | 0.508 | S | S | . | . | trans | -152.2 | 137.7 | -179.8 | -173.7 | 174.6 | -168.7 | 177.9 | 1.6 | 110 | P65 L69 S78 I79 V80 | P65-R67 PolarHBondContact O-N 3.29Å; R67-L69 HydrophobicContact CG-CD2 4.11Å; R67-S78 PolarHBondContact NE-OG 3.17Å; R67-S78 PolarHBondContact NH2-OG 3.15Å; R67-I79 CarbonylContact C-O 3.58Å; R67-I79 WeakPolarHBondContact CA-O 3.4Å; R67-V80 HydrophobicContact CB-CG2 4.1Å; R67-V80 HydrophobicContact CG-CG2 3.8Å | ||
| 68 | I | 93.9 | Very high | 88.8 | Confident | 45 Ų | 45 | 90.6 Ų | 90.6 | 23% | 0.231 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 132.2 | 172.8 | -59.9 | 166.9 | 0 | 0 | 0 | 107.8 | V52 P65 V70 I79 | V52-I68 HydrophobicContact CG1-CD1 4.27Å; P65-I68 HydrophobicContact CB-CG1 4.11Å; P65-I68 HydrophobicContact CG-CD1 4.28Å; P65-I68 HydrophobicContact CG-CG1 4.01Å; I68-V70 HydrophobicContact CG2-CG2 4.39Å; I68-I79 HydrophobicContact CB-CB 4.18Å; I68-I79 HydrophobicContact CG2-CD1 4.41Å; I68-I79 PolarHBondContact N-O 3.07Å; I68-I79 PolarHBondContact O-N 3.46Å |
| 69 | L | 95.7 | Very high | 89.8 | Confident | 106 Ų | 106 | 85.3 Ų | 85.3 | 56% | 0.555 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 126.1 | 174.6 | -60.4 | -178.4 | 0 | 0 | 0 | 109.6 | R67 F76 Y77 | R67-L69 HydrophobicContact CG-CD2 4.11Å; L69-F76 HydrophobicContact CD2-CD2 4.02Å; L69-F76 HydrophobicContact CD2-CE2 4.04Å; L69-Y77 VanDerWaalsContact CA-O 3.31Å; L69-Y77 WeakPolarHBondContact CA-O 3.33Å |
| 70 | V | 96.3 | Very high | 90.6 | Very high | 36 Ų | 36 | 82.1 Ų | 82.1 | 22% | 0.218 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 106.6 | 173.6 | -172.6 | 0 | 0 | 0 | 0 | 108 | M51 I68 F72 F76 Y77 I79 | M51-V70 HydrophobicContact CE-CG2 3.66Å; I68-V70 HydrophobicContact CG2-CG2 4.39Å; V70-F72 HydrophobicContact CG1-CE2 3.78Å; V70-F72 HydrophobicContact CG1-CZ 4.17Å; V70-F76 CarbonylContact O-C 3.37Å; V70-F76 WeakPolarHBondContact O-CA 3.39Å; V70-F76 WeakPolarHBondContact O-CB 3.45Å; V70-Y77 HydrophobicContact CB-CD2 4.33Å; V70-Y77 PolarHBondContact N-O 3.48Å; V70-Y77 PolarHBondContact O-N 3.12Å; V70-I79 HydrophobicContact CG2-CD1 3.88Å |
| 71 | R | 96.6 | Very high | 91.3 | Very high | 194 Ų | 194 | 83.1 Ų | 83.1 | 73% | 0.732 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 132.8 | -170.5 | -168.9 | 170.9 | -171.4 | 142.2 | 0.3 | 111.6 | F76 | R71-F76 HydrophobicContact CB-CB 4.32Å; R71-F76 HydrophobicContact CG-CB 4.32Å |
| 72 | F | 96.1 | Very high | 92.1 | Very high | 94 Ų | 94 | 81.1 Ų | 81.1 | 41% | 0.412 | 43% | 0.43 | S | S | . | . | trans | -117.1 | 177.7 | 167.6 | -60.6 | -95.1 | 0 | 0 | 0 | 108.6 | V70 F75 Y77 N93 | V70-F72 HydrophobicContact CG1-CE2 3.78Å; V70-F72 HydrophobicContact CG1-CZ 4.17Å; F72-F75 CarbonylContact C-O 3.54Å; F72-F75 WeakPolarHBondContact CA-O 3.41Å; F72-F75 HydrophobicContact CB-CD1 4.38Å; F72-F75 HydrophobicContact CB-CD2 4.48Å; F72-F75 HydrophobicContact CB-CE1 4.13Å; F72-F75 HydrophobicContact CB-CE2 4.23Å; F72-F75 HydrophobicContact CB-CZ 4.04Å; F72-F75 WeakPolarHBondContact CB-O 3.32Å; F72-F75 HydrophobicContact CD1-CZ 4.31Å; F72-F75 AromaticContact CD2-CD2 3.92Å; F72-F75 HydrophobicContact CD2-CD2 3.92Å; F72-F75 AromaticContact CD2-CE2 3.27Å; F72-F75 HydrophobicContact CD2-CE2 3.27Å; F72-F75 AromaticContact CD2-CZ 3.63Å; F72-F75 HydrophobicContact CD2-CZ 3.63Å; F72-F75 AromaticContact CE2-CE2 3.76Å; F72-F75 HydrophobicContact CE2-CE2 3.76Å; F72-F75 HydrophobicContact CE2-CZ 4.15Å; F72-F75 HydrophobicContact CG-CD2 4.5Å; F72-F75 HydrophobicContact CG-CE1 4.3Å; F72-F75 AromaticContact CG-CE2 3.85Å; F72-F75 HydrophobicContact CG-CE2 3.85Å; F72-F75 AromaticContact CG-CZ 3.73Å; F72-F75 HydrophobicContact CG-CZ 3.73Å; F72-F75 PolarHBondContact N-O 3.46Å; F72-Y77 HydrophobicContact CD2-CD2 4.46Å; F72-Y77 HydrophobicContact CD2-CE2 4.41Å; F72-Y77 AromaticContact CE2-CD2 3.74Å; F72-Y77 HydrophobicContact CE2-CD2 3.74Å; F72-Y77 AromaticContact CE2-CE2 3.65Å; F72-Y77 HydrophobicContact CE2-CE2 3.65Å; F72-Y77 HydrophobicContact CZ-CE2 4.33Å; F72-N93 PolarHBondContact O-ND2 3.09Å | ||
| 73 | D | 95.5 | Very high | 92.7 | Very high | 163 Ų | 163 | 80 Ų | 80 | 87% | 0.872 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -66.7 | -41.1 | -176.6 | -63.9 | -24.2 | 0 | 0 | 0 | 113.2 | N93 | D73-N93 VanDerWaalsContact C-ND2 3.25Å; D73-N93 PolarHBondContact O-ND2 2.75Å |
| 74 | A | 95.5 | Very high | 93.3 | Very high | 64 Ų | 64 | 80.7 Ų | 80.7 | 53% | 0.529 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -98.8 | -19.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | N93 | A74-N93 PolarHBondContact O-N 2.73Š|
| 75 | F | 97.2 | Very high | 94.2 | Very high | 43 Ų | 43 | 78.3 Ų | 78.3 | 19% | 0.189 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 172 | -174.6 | 66.7 | -90.6 | 0 | 0 | 0 | 110.9 | L20 F72 Y77 K90 I91 | L20-F75 HydrophobicContact CD1-CB 4.2Å; F72-F75 CarbonylContact C-O 3.54Å; F72-F75 WeakPolarHBondContact CA-O 3.41Å; F72-F75 HydrophobicContact CB-CD1 4.38Å; F72-F75 HydrophobicContact CB-CD2 4.48Å; F72-F75 HydrophobicContact CB-CE1 4.13Å; F72-F75 HydrophobicContact CB-CE2 4.23Å; F72-F75 HydrophobicContact CB-CZ 4.04Å; F72-F75 WeakPolarHBondContact CB-O 3.32Å; F72-F75 HydrophobicContact CD1-CZ 4.31Å; F72-F75 AromaticContact CD2-CD2 3.92Å; F72-F75 HydrophobicContact CD2-CD2 3.92Å; F72-F75 AromaticContact CD2-CE2 3.27Å; F72-F75 HydrophobicContact CD2-CE2 3.27Å; F72-F75 AromaticContact CD2-CZ 3.63Å; F72-F75 HydrophobicContact CD2-CZ 3.63Å; F72-F75 AromaticContact CE2-CE2 3.76Å; F72-F75 HydrophobicContact CE2-CE2 3.76Å; F72-F75 HydrophobicContact CE2-CZ 4.15Å; F72-F75 HydrophobicContact CG-CD2 4.5Å; F72-F75 HydrophobicContact CG-CE1 4.3Å; F72-F75 AromaticContact CG-CE2 3.85Å; F72-F75 HydrophobicContact CG-CE2 3.85Å; F72-F75 AromaticContact CG-CZ 3.73Å; F72-F75 HydrophobicContact CG-CZ 3.73Å; F72-F75 PolarHBondContact N-O 3.46Å; F75-Y77 HydrophobicContact CD2-CE2 4.5Å; F75-Y77 HydrophobicContact CE2-CD2 4.26Å; F75-Y77 HydrophobicContact CE2-CE1 4.3Å; F75-Y77 AromaticContact CE2-CE2 3.64Å; F75-Y77 HydrophobicContact CE2-CE2 3.64Å; F75-Y77 AromaticContact CE2-CZ 3.65Å; F75-K90 HydrophobicContact CB-CG 4.43Å; F75-K90 HydrophobicContact CD2-CD 4.21Å; F75-K90 HydrophobicContact CD2-CG 3.74Å; F75-K90 HydrophobicContact CE2-CD 4.46Å; F75-K90 HydrophobicContact CE2-CG 4.33Å; F75-K90 HydrophobicContact CG-CG 4.23Å; F75-I91 CarbonylContact C-O 3.46Å; F75-I91 WeakPolarHBondContact CA-O 3.35Å; F75-I91 VanDerWaalsContact CB-O 3.25Å; F75-I91 WeakPolarHBondContact CB-O 3.42Å |
| 76 | F | 97.6 | Very high | 94.8 | Very high | 43 Ų | 43 | 75.9 Ų | 75.9 | 19% | 0.189 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 154.1 | 168 | 66.4 | -81.2 | 0 | 0 | 0 | 110.7 | L69 V70 R71 I91 N93 | L69-F76 HydrophobicContact CD2-CD2 4.02Å; L69-F76 HydrophobicContact CD2-CE2 4.04Å; V70-F76 CarbonylContact O-C 3.37Å; V70-F76 WeakPolarHBondContact O-CA 3.39Å; V70-F76 WeakPolarHBondContact O-CB 3.45Å; R71-F76 HydrophobicContact CB-CB 4.32Å; R71-F76 HydrophobicContact CG-CB 4.32Å; F76-I91 HydrophobicContact CD1-CB 4.12Å; F76-I91 HydrophobicContact CD1-CG2 4.41Å; F76-I91 WeakPolarHBondContact CD1-O 3.45Å; F76-I91 HydrophobicContact CE1-CB 3.62Å; F76-I91 HydrophobicContact CE1-CG2 3.54Å; F76-I91 HydrophobicContact CE2-CB 4.08Å; F76-I91 HydrophobicContact CE2-CD1 3.8Å; F76-I91 HydrophobicContact CE2-CG1 4.39Å; F76-I91 HydrophobicContact CZ-CB 3.6Å; F76-I91 HydrophobicContact CZ-CD1 3.73Å; F76-I91 HydrophobicContact CZ-CG1 4.22Å; F76-I91 HydrophobicContact CZ-CG2 3.63Å; F76-I91 PolarHBondContact N-O 2.8Å; F76-I91 PolarHBondContact O-N 2.86Å; F76-N93 VanDerWaalsContact CD1-OD1 3.3Å; F76-N93 WeakPolarHBondContact CD1-OD1 3.17Å |
| 77 | Y | 98.1 | Very high | 95.2 | Very high | 26 Ų | 26 | 72.1 Ų | 72.1 | 10% | 0.102 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 133.8 | 165.7 | -63 | -64.7 | 0 | 0 | 0 | 110 | L38 L69 V70 F72 F75 V88 V89 K90 | L38-Y77 HydrophobicContact CD1-CD1 4.42Å; L38-Y77 HydrophobicContact CD1-CE1 4.03Å; L38-Y77 HydrophobicContact CD2-CE1 3.95Å; L38-Y77 HydrophobicContact CG-CE1 4.47Å; L69-Y77 VanDerWaalsContact CA-O 3.31Å; L69-Y77 WeakPolarHBondContact CA-O 3.33Å; V70-Y77 HydrophobicContact CB-CD2 4.33Å; V70-Y77 PolarHBondContact N-O 3.48Å; V70-Y77 PolarHBondContact O-N 3.12Å; F72-Y77 HydrophobicContact CD2-CD2 4.46Å; F72-Y77 HydrophobicContact CD2-CE2 4.41Å; F72-Y77 AromaticContact CE2-CD2 3.74Å; F72-Y77 HydrophobicContact CE2-CD2 3.74Å; F72-Y77 AromaticContact CE2-CE2 3.65Å; F72-Y77 HydrophobicContact CE2-CE2 3.65Å; F72-Y77 HydrophobicContact CZ-CE2 4.33Å; F75-Y77 HydrophobicContact CD2-CE2 4.5Å; F75-Y77 HydrophobicContact CE2-CD2 4.26Å; F75-Y77 HydrophobicContact CE2-CE1 4.3Å; F75-Y77 AromaticContact CE2-CE2 3.64Å; F75-Y77 HydrophobicContact CE2-CE2 3.64Å; F75-Y77 AromaticContact CE2-CZ 3.65Å; Y77-V88 HydrophobicContact CD1-CG1 4.06Å; Y77-V89 WeakPolarHBondContact CA-O 3.12Å; Y77-K90 HydrophobicContact CD1-CB 3.86Å; Y77-K90 HydrophobicContact CD1-CG 4.04Å; Y77-K90 HydrophobicContact CE1-CB 3.63Å; Y77-K90 HydrophobicContact CE1-CD 3.9Å; Y77-K90 HydrophobicContact CE1-CG 3.55Å |
| 78 | S | 97.6 | Very high | 95.5 | Very high | 7 Ų | 7 | 66.3 Ų | 66.3 | 5% | 0.049 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 116.5 | 167.3 | 159.8 | 0 | 0 | 0 | 0 | 109.3 | R67 V88 V89 | R67-S78 PolarHBondContact NE-OG 3.17Å; R67-S78 PolarHBondContact NH2-OG 3.15Å; S78-V88 WeakPolarHBondContact O-CA 3.11Å; S78-V89 PolarHBondContact N-O 2.91Å; S78-V89 PolarHBondContact O-N 3.46Å |
| 79 | I | 97.2 | Very high | 95.7 | Very high | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 128.1 | -175.8 | -55.9 | 159.4 | 0 | 0 | 0 | 109.1 | I48 V52 R67 I68 V70 L81 V86 F87 V88 | I48-I79 HydrophobicContact CD1-CD1 4.12Å; I48-I79 HydrophobicContact CD1-CG1 4.31Å; I48-I79 HydrophobicContact CG1-CD1 4.05Å; I48-I79 HydrophobicContact CG2-CD1 3.94Å; I48-I79 HydrophobicContact CG2-CG1 4.18Å; I48-I79 HydrophobicContact CG2-CG2 3.98Å; V52-I79 HydrophobicContact CG1-CG2 3.84Å; R67-I79 CarbonylContact C-O 3.58Å; R67-I79 WeakPolarHBondContact CA-O 3.4Å; I68-I79 HydrophobicContact CB-CB 4.18Å; I68-I79 HydrophobicContact CG2-CD1 4.41Å; I68-I79 PolarHBondContact N-O 3.07Å; I68-I79 PolarHBondContact O-N 3.46Å; V70-I79 HydrophobicContact CG2-CD1 3.88Å; I79-L81 HydrophobicContact CG2-CD1 4.46Å; I79-V86 HydrophobicContact CG2-CG1 3.75Å; I79-F87 CarbonylContact C-O 3.58Å; I79-F87 VanDerWaalsContact CA-O 3.27Å; I79-F87 WeakPolarHBondContact CA-O 3.3Å; I79-V88 HydrophobicContact CG1-CG1 4.24Å; I79-V88 HydrophobicContact CG1-CG2 4.34Å |
| 80 | V | 95.5 | Very high | 95.8 | Very high | 46 Ų | 46 | 60.9 Ų | 60.9 | 28% | 0.279 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 135 | 178.1 | 175.8 | 0 | 0 | 0 | 0 | 109.1 | R67 F87 | R67-V80 HydrophobicContact CB-CG2 4.1Å; R67-V80 HydrophobicContact CG-CG2 3.8Å; V80-F87 PolarHBondContact N-O 2.84Å; V80-F87 PolarHBondContact O-N 2.97Å |
| 81 | L | 93.1 | Very high | 95.8 | Very high | 95 Ų | 95 | 59.9 Ų | 59.9 | 50% | 0.497 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 127.1 | 172 | -73 | 73.4 | 0 | 0 | 0 | 109.1 | V52 I79 K85 V86 | V52-L81 HydrophobicContact CB-CD1 3.94Å; V52-L81 HydrophobicContact CB-CD2 4.08Å; V52-L81 HydrophobicContact CB-CG 4.42Å; V52-L81 HydrophobicContact CG1-CD1 3.66Å; V52-L81 HydrophobicContact CG2-CD2 4.44Å; I79-L81 HydrophobicContact CG2-CD1 4.46Å; L81-K85 WeakPolarHBondContact CA-O 3.38Å; L81-V86 HydrophobicContact CG-CG2 4.43Å |
| 82 | S | 91.3 | Very high | 95.9 | Very high | 56 Ų | 56 | 58 Ų | 58 | 39% | 0.392 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 139 | 175.6 | 178.8 | 0 | 0 | 0 | 0 | 110.8 | K84 K85 | S82-K84 VanDerWaalsContact C-N 3.29Å; S82-K84 PolarHBondContact O-N 3.03Å; S82-K85 PolarHBondContact N-O 3.29Å; S82-K85 WeakPolarHBondContact O-CA 3.3Å; S82-K85 WeakPolarHBondContact O-CB 3.14Å; S82-K85 PolarHBondContact O-N 3.01Å |
| 83 | N | 91 | Very high | 95.7 | Very high | 135 Ų | 135 | 54.1 Ų | 54.1 | 72% | 0.722 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 47.7 | 178.2 | -68.2 | -31.4 | 0 | 0 | 0 | 113.7 | K85 | N83-K85 PolarHBondContact O-N 2.81Å; N83-K85 VanDerWaalsContact O-N 3.16Å |
| 84 | K | 90.6 | Very high | 94.9 | Very high | 153 Ų | 153 | 50.2 Ų | 50.2 | 67% | 0.665 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 23.8 | -177.4 | -55.4 | -179.1 | 163 | -145.8 | 0 | 114.5 | E27 S82 | E27-K84 PolarHBondContact N-O 3.26Å; E27-K84 IonicContact OE2-NZ 3.37Å; E27-K84 PolarHBondContact OE2-NZ 2.88Å; S82-K84 VanDerWaalsContact C-N 3.29Å; S82-K84 PolarHBondContact O-N 3.03Å |
| 85 | K | 94.4 | Very high | 93.3 | Very high | 50 Ų | 50 | 50.8 Ų | 50.8 | 22% | 0.217 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 149.3 | 175.2 | -61.7 | -176.8 | -172.3 | 73.2 | 0 | 110.1 | F10 V24 L25 L32 L81 S82 N83 F87 | F10-K85 HydrophobicContact CE1-CD 4.34Å; F10-K85 HydrophobicContact CZ-CD 4.14Å; V24-K85 HydrophobicContact CG1-CB 4.33Å; V24-K85 HydrophobicContact CG1-CD 4.06Å; L25-K85 CarbonylContact O-C 3.58Å; L25-K85 WeakPolarHBondContact O-CA 3.42Å; L25-K85 WeakPolarHBondContact O-CB 3.2Å; L32-K85 HydrophobicContact CD1-CD 3.91Å; L32-K85 HydrophobicContact CD1-CG 4.14Å; L81-K85 WeakPolarHBondContact CA-O 3.38Å; S82-K85 PolarHBondContact N-O 3.29Å; S82-K85 WeakPolarHBondContact O-CA 3.3Å; S82-K85 WeakPolarHBondContact O-CB 3.14Å; S82-K85 PolarHBondContact O-N 3.01Å; N83-K85 PolarHBondContact O-N 2.81Å; N83-K85 VanDerWaalsContact O-N 3.16Å; K85-F87 HydrophobicContact CB-CD2 4.36Å; K85-F87 HydrophobicContact CB-CE2 3.7Å; K85-F87 HydrophobicContact CB-CZ 3.97Å; K85-F87 HydrophobicContact CD-CZ 4.12Å |
| 86 | V | 96.1 | Very high | 91.1 | Very high | 7 Ų | 7 | 54 Ų | 54 | 4% | 0.042 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 118.7 | 171.5 | -169.2 | 0 | 0 | 0 | 0 | 107.8 | V24 L25 I48 V52 I79 L81 V88 | V24-V86 CarbonylContact C-O 3.59Å; V24-V86 WeakPolarHBondContact CA-O 3.35Å; L25-V86 HydrophobicContact CB-CB 4.07Å; L25-V86 HydrophobicContact CB-CG2 4.41Å; L25-V86 HydrophobicContact CD1-CB 4.42Å; L25-V86 HydrophobicContact CG-CB 4.38Å; L25-V86 PolarHBondContact N-O 2.83Å; L25-V86 PolarHBondContact O-N 2.85Å; I48-V86 HydrophobicContact CG2-CG1 3.99Å; V52-V86 HydrophobicContact CG1-CG1 4.22Å; V52-V86 HydrophobicContact CG2-CG1 4.47Å; V52-V86 HydrophobicContact CG2-CG2 3.9Å; I79-V86 HydrophobicContact CG2-CG1 3.75Å; L81-V86 HydrophobicContact CG-CG2 4.43Å; V86-V88 HydrophobicContact CG1-CG2 4.19Å |
| 87 | F | 97.2 | Very high | 88.8 | Confident | 28 Ų | 28 | 56.5 Ų | 56.5 | 12% | 0.123 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 123.4 | 176.6 | -62.6 | -91.5 | 0 | 0 | 0 | 108.9 | F10 Y12 L13 V24 I79 V80 K85 | F10-F87 AromaticContact CD1-CE1 3.94Å; F10-F87 HydrophobicContact CD1-CE1 3.94Å; F10-F87 AromaticContact CE1-CE1 3.83Å; F10-F87 HydrophobicContact CE1-CE1 3.83Å; F10-F87 HydrophobicContact CE1-CZ 4.33Å; Y12-F87 VanDerWaalsContact OH-CE1 3.25Å; Y12-F87 WeakPolarHBondContact OH-CE1 3.13Å; L13-F87 HydrophobicContact CD1-CD1 4.32Å; V24-F87 HydrophobicContact CG1-CD1 4.17Å; V24-F87 HydrophobicContact CG1-CE1 3.99Å; V24-F87 HydrophobicContact CG2-CD1 4.01Å; V24-F87 HydrophobicContact CG2-CE1 4.29Å; I79-F87 CarbonylContact C-O 3.58Å; I79-F87 VanDerWaalsContact CA-O 3.27Å; I79-F87 WeakPolarHBondContact CA-O 3.3Å; V80-F87 PolarHBondContact N-O 2.84Å; V80-F87 PolarHBondContact O-N 2.97Å; K85-F87 HydrophobicContact CB-CD2 4.36Å; K85-F87 HydrophobicContact CB-CE2 3.7Å; K85-F87 HydrophobicContact CB-CZ 3.97Å; K85-F87 HydrophobicContact CD-CZ 4.12Å |
| 88 | V | 97.9 | Very high | 86.2 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 130.2 | 179.8 | -173.6 | 0 | 0 | 0 | 0 | 108.8 | Y22 L23 L38 I48 Y77 S78 I79 V86 | Y22-V88 CarbonylContact C-O 3.58Å; Y22-V88 WeakPolarHBondContact CA-O 3.45Å; Y22-V88 VanDerWaalsContact CB-O 3.26Å; Y22-V88 WeakPolarHBondContact CB-O 3.47Å; L23-V88 HydrophobicContact CB-CB 4.05Å; L23-V88 HydrophobicContact CB-CG2 4.31Å; L23-V88 PolarHBondContact N-O 2.94Å; L23-V88 PolarHBondContact O-N 3.49Å; L38-V88 HydrophobicContact CD1-CG1 4.19Å; I48-V88 HydrophobicContact CD1-CB 4.16Å; I48-V88 HydrophobicContact CD1-CG1 3.38Å; I48-V88 HydrophobicContact CD1-CG2 3.71Å; I48-V88 HydrophobicContact CG2-CG2 3.78Å; Y77-V88 HydrophobicContact CD1-CG1 4.06Å; S78-V88 WeakPolarHBondContact O-CA 3.11Å; I79-V88 HydrophobicContact CG1-CG1 4.24Å; I79-V88 HydrophobicContact CG1-CG2 4.34Å; V86-V88 HydrophobicContact CG1-CG2 4.19Å |
| 89 | V | 98 | Very high | 83.9 | Confident | 10 Ų | 10 | 65.4 Ų | 65.4 | 6% | 0.061 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 126.2 | 171.8 | -169.4 | 0 | 0 | 0 | 0 | 109 | L13 V16 Q19 Y77 S78 I91 | L13-V89 HydrophobicContact CD2-CG2 4.11Å; V16-V89 HydrophobicContact CB-CG1 4.37Å; V16-V89 HydrophobicContact CG1-CG1 4.18Å; Q19-V89 HydrophobicContact CB-CG1 4.06Å; Q19-V89 HydrophobicContact CG-CG1 3.41Å; Q19-V89 VanDerWaalsContact CG-CG1 3.41Å; Y77-V89 WeakPolarHBondContact CA-O 3.12Å; S78-V89 PolarHBondContact N-O 2.91Å; S78-V89 PolarHBondContact O-N 3.46Å; V89-I91 HydrophobicContact CB-CD1 4.41Å; V89-I91 HydrophobicContact CB-CG1 4.26Å; V89-I91 HydrophobicContact CG1-CD1 4.21Å; V89-I91 HydrophobicContact CG1-CG1 3.74Å |
| 90 | K | 98.3 | Very high | 81.6 | Confident | 28 Ų | 28 | 69.9 Ų | 69.9 | 12% | 0.122 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 122.7 | 168.5 | -167.1 | -178.8 | -178.2 | -172.8 | 0 | 108.2 | Q19 L20 G21 D37 L38 F75 Y77 | Q19-K90 WeakPolarHBondContact CA-O 3.2Å; L20-K90 HydrophobicContact CB-CB 4.29Å; L20-K90 HydrophobicContact CB-CD 4.13Å; L20-K90 HydrophobicContact CB-CG 4.17Å; L20-K90 HydrophobicContact CD1-CD 4.38Å; L20-K90 HydrophobicContact CD1-CG 4.33Å; L20-K90 PolarHBondContact N-O 2.86Å; G21-K90 PolarHBondContact O-N 2.6Å; D37-K90 HydrophobicContact CB-CD 3.82Å; D37-K90 WeakPolarHBondContact OD2-CE 3.49Å; D37-K90 IonicContact OD2-NZ 2.73Å; D37-K90 PolarHBondContact OD2-NZ 2.92Å; L38-K90 HydrophobicContact CD1-CB 4.08Å; L38-K90 HydrophobicContact CG-CB 4.37Å; F75-K90 HydrophobicContact CB-CG 4.43Å; F75-K90 HydrophobicContact CD2-CD 4.21Å; F75-K90 HydrophobicContact CD2-CG 3.74Å; F75-K90 HydrophobicContact CE2-CD 4.46Å; F75-K90 HydrophobicContact CE2-CG 4.33Å; F75-K90 HydrophobicContact CG-CG 4.23Å; Y77-K90 HydrophobicContact CD1-CB 3.86Å; Y77-K90 HydrophobicContact CD1-CG 4.04Å; Y77-K90 HydrophobicContact CE1-CB 3.63Å; Y77-K90 HydrophobicContact CE1-CD 3.9Å; Y77-K90 HydrophobicContact CE1-CG 3.55Å |
| 91 | I | 97.8 | Very high | 79.4 | Confident | 14 Ų | 14 | 71.4 Ų | 71.4 | 7% | 0.072 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 131 | -174.8 | -56.8 | 174.1 | 0 | 0 | 0 | 108.5 | V16 N18 F75 F76 V89 | V16-I91 HydrophobicContact CG1-CD1 3.97Å; V16-I91 HydrophobicContact CG1-CG1 4.36Å; N18-I91 HydrophobicContact CB-CG2 4.09Å; N18-I91 WeakPolarHBondContact O-CA 3.25Å; F75-I91 CarbonylContact C-O 3.46Å; F75-I91 WeakPolarHBondContact CA-O 3.35Å; F75-I91 VanDerWaalsContact CB-O 3.25Å; F75-I91 WeakPolarHBondContact CB-O 3.42Å; F76-I91 HydrophobicContact CD1-CB 4.12Å; F76-I91 HydrophobicContact CD1-CG2 4.41Å; F76-I91 WeakPolarHBondContact CD1-O 3.45Å; F76-I91 HydrophobicContact CE1-CB 3.62Å; F76-I91 HydrophobicContact CE1-CG2 3.54Å; F76-I91 HydrophobicContact CE2-CB 4.08Å; F76-I91 HydrophobicContact CE2-CD1 3.8Å; F76-I91 HydrophobicContact CE2-CG1 4.39Å; F76-I91 HydrophobicContact CZ-CB 3.6Å; F76-I91 HydrophobicContact CZ-CD1 3.73Å; F76-I91 HydrophobicContact CZ-CG1 4.22Å; F76-I91 HydrophobicContact CZ-CG2 3.63Å; F76-I91 PolarHBondContact N-O 2.8Å; F76-I91 PolarHBondContact O-N 2.86Å; V89-I91 HydrophobicContact CB-CD1 4.41Å; V89-I91 HydrophobicContact CB-CG1 4.26Å; V89-I91 HydrophobicContact CG1-CD1 4.21Å; V89-I91 HydrophobicContact CG1-CG1 3.74Å |
| 92 | R | 97.3 | Very high | 77.5 | Confident | 155 Ų | 155 | 74.1 Ų | 74.1 | 59% | 0.585 | 47% | 0.467 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 138 | 175.6 | -167.7 | 178.3 | 179.4 | 169.9 | 0.5 | 110.5 | N18 L20 G94 | N18-R92 HydrophobicContact CB-CB 4.26Å; N18-R92 PolarHBondContact O-N 3.1Å; L20-R92 HydrophobicContact CD1-CB 4.02Å; L20-R92 HydrophobicContact CD2-CB 4.29Å; L20-R92 HydrophobicContact CG-CB 4.23Å; R92-G94 PolarHBondContact O-N 2.75Å |
| 93 | N | 93 | Very high | 75.9 | Confident | 13 Ų | 13 | 80.9 Ų | 80.9 | 7% | 0.07 | 49% | 0.493 | C | S | . | . | trans | -64.1 | 136.3 | 172.3 | -78.4 | -10.8 | 0 | 0 | 0 | 109.6 | F72 D73 A74 F76 S95 | F72-N93 PolarHBondContact O-ND2 3.09Å; D73-N93 VanDerWaalsContact C-ND2 3.25Å; D73-N93 PolarHBondContact O-ND2 2.75Å; A74-N93 PolarHBondContact O-N 2.73Å; F76-N93 VanDerWaalsContact CD1-OD1 3.3Å; F76-N93 WeakPolarHBondContact CD1-OD1 3.17Å; N93-S95 PolarHBondContact O-N 2.83Å | ||
| 94 | G | 77.9 | Confident | 74 | Confident | 80 Ų | 80 | 78.1 Ų | 78.1 | 83% | 0.825 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -72.5 | 71.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R92 | R92-G94 PolarHBondContact O-N 2.75Š|
| 95 | S | 62.8 | Low | 72.4 | Confident | 76 Ų | 76 | 74.9 Ų | 74.9 | 53% | 0.531 | 51% | 0.506 | S | S | . | . | trans | -127.4 | 74.5 | 163.9 | 59.5 | 0 | 0 | 0 | 0 | 107.7 | N93 S97 | N93-S95 PolarHBondContact O-N 2.83Å; S95-S97 PolarHBondContact O-N 2.95Å | ||
| 96 | S | 51 | Low | 70.6 | Confident | 112 Ų | 112 | 76.1 Ų | 76.1 | 78% | 0.783 | 53% | 0.533 | S | S | * | . | trans | -67.7 | 76.6 | 151.2 | 51.7 | 0 | 0 | 0 | 0 | 107.2 | S98 | S96-S98 PolarHBondContact O-N 2.94Š| ||
| 97 | S | 48.6 | Very low | 69.3 | Low | 95 Ų | 95 | 81.5 Ų | 81.5 | 66% | 0.664 | 57% | 0.571 | S | S | * | * | trans | -71.6 | 84.8 | 156.1 | 56.8 | 0 | 0 | 0 | 0 | 105.9 | S95 S99 | S95-S97 PolarHBondContact O-N 2.95Å; S97-S99 PolarHBondContact O-N 3Å | ||
| 98 | S | 43.9 | Very low | 67.7 | Low | 109 Ų | 109 | 85.5 Ų | 85.5 | 76% | 0.762 | 60% | 0.602 | S | S | * | * | trans | -53.2 | 91.2 | 145.4 | 44.6 | 0 | 0 | 0 | 0 | 106.7 | S96 A100 | S96-S98 PolarHBondContact O-N 2.94Å; S98-A100 VanDerWaalsContact C-N 3.26Å; S98-A100 PolarHBondContact O-N 2.93Å | ||
| 99 | S | 49.1 | Very low | 65.9 | Low | 110 Ų | 110 | 98 Ų | 98 | 77% | 0.769 | 66% | 0.66 | S | S | * | * | trans | -67.9 | 97.8 | 161 | -60.2 | 0 | 0 | 0 | 0 | 105.8 | S97 G101 | S97-S99 PolarHBondContact O-N 3Å; S99-G101 PolarHBondContact O-N 3.09Å; S99-G101 VanDerWaalsContact O-N 3.09Å | ||
| 100 | A | 47.6 | Very low | 64.3 | Low | 96 Ų | 96 | 102.4 Ų | 102.4 | 79% | 0.793 | 69% | 0.69 | S | S | * | * | trans | -55.4 | 106.6 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | S98 | S98-A100 VanDerWaalsContact C-N 3.26Å; S98-A100 PolarHBondContact O-N 2.93Å | ||
| 101 | G | 51 | Low | 62.5 | Low | 77 Ų | 77 | 106.3 Ų | 106.3 | 79% | 0.794 | 72% | 0.72 | S | S | * | * | trans | -98.7 | 74.9 | 160.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | S99 | S99-G101 PolarHBondContact O-N 3.09Å; S99-G101 VanDerWaalsContact O-N 3.09Å | ||
| 102 | D | 52.3 | Low | 60.6 | Low | 153 Ų | 153 | 111.4 Ų | 111.4 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | trans | -86.2 | 95 | 164.5 | 178.8 | 53.7 | 0 | 0 | 0 | 107.3 | ||||
| 103 | E | 57.6 | Low | 58.4 | Low | 198 Ų | 198 | 108.9 Ų | 108.9 | 93% | 0.925 | 77% | 0.766 | S | S | * | * | trans | -147.1 | 120 | 157.9 | -73.3 | -167.6 | 123.1 | 0 | 0 | 104.1 | ||||
| 104 | G | 52.1 | Low | 56.2 | Low | 76 Ų | 76 | 114.9 Ų | 114.9 | 78% | 0.784 | 81% | 0.81 | S | S | * | * | cis | 127.1 | 96.2 | 26.5 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 105 | G | 55.9 | Low | 54.8 | Low | 86 Ų | 86 | 117.2 Ų | 117.2 | 89% | 0.887 | 81% | 0.809 | S | S | * | * | trans | 90.9 | 131 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 106 | G | 56.7 | Low | 54.2 | Low | 76 Ų | 76 | 120.1 Ų | 120.1 | 78% | 0.784 | 83% | 0.828 | S | S | * | * | cis | 126.2 | 101.6 | 18.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 107 | S | 68.8 | Low | 54.5 | Low | 120 Ų | 120 | 120.8 Ų | 120.8 | 84% | 0.839 | 83% | 0.832 | S | S | * | * | trans | 73.1 | 120.9 | 157.1 | -159.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 108 | S | 63.2 | Low | 54.9 | Low | 111 Ų | 111 | 122.9 Ų | 122.9 | 78% | 0.776 | 85% | 0.846 | S | S | * | * | trans | -65.1 | 148.2 | 161.1 | -47.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 109 | H | 61.3 | Low | 56 | Low | 263 Ų | 263 | 124.2 Ų | 124.2 | 100% | 1.218 | 85% | 0.853 | S | S | * | * | trans | -146.2 | 0 | 150.9 | -114.5 | -101.9 | 0 | 0 | 0 | 107.6 |
Retrieved 109 of 109 residues in 49.4 ms
(Link to these results)