| 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 | 48.7 | Very low | 72.3 | Confident | 239 Ų | 239 | 127.2 Ų | 127.2 | 100% | 1.177 | 66% | 0.664 | S | S | * | * | 0 | 102.6 | 0 | -65.3 | -77 | -111.3 | 0 | 0 | 107 | K3 | M1-K3 PolarHBondContact O-N 3.46Š| |||
| 2 | S | 55.5 | Low | 74.2 | Confident | 121 Ų | 121 | 119.5 Ų | 119.5 | 85% | 0.846 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -61 | 127.5 | 174.9 | 56.7 | 0 | 0 | 0 | 0 | 107.6 | A4 | S2-A4 PolarHBondContact O-N 3.43Å; S2-A4 VanDerWaalsContact O-N 3.11Å |
| 3 | K | 58.6 | Low | 75.9 | Confident | 191 Ų | 191 | 114.4 Ų | 114.4 | 83% | 0.83 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 119.2 | 170.8 | -73.6 | -178.9 | 176.5 | 179.2 | 0 | 106.1 | M1 H5 | M1-K3 PolarHBondContact O-N 3.46Å; K3-H5 PolarHBondContact O-N 2.84Å; K3-H5 VanDerWaalsContact O-N 3.09Å |
| 4 | A | 61.6 | Low | 77.3 | Confident | 94 Ų | 94 | 113.1 Ų | 113.1 | 78% | 0.777 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 120.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | S2 | S2-A4 PolarHBondContact O-N 3.43Å; S2-A4 VanDerWaalsContact O-N 3.11Å |
| 5 | H | 67.1 | Low | 78.6 | Confident | 175 Ų | 175 | 110.3 Ų | 110.3 | 81% | 0.81 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 129.7 | 176.2 | -88.3 | 61.7 | 0 | 0 | 0 | 107.7 | K3 | K3-H5 PolarHBondContact O-N 2.84Å; K3-H5 VanDerWaalsContact O-N 3.09Å |
| 6 | P | 69.4 | Low | 79.8 | Confident | 104 Ų | 104 | 108.1 Ų | 108.1 | 68% | 0.675 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -55 | 137.3 | 175.6 | -22.5 | 31.8 | 0 | 0 | 0 | 109.6 | E8 | P6-E8 PolarHBondContact O-N 3Š|
| 7 | P | 75.2 | Confident | 80.8 | Confident | 28 Ų | 28 | 101.7 Ų | 101.7 | 18% | 0.182 | 52% | 0.522 | C | S | . | . | P | Polyproline II helix | trans | -59 | 128.1 | 177.2 | 24.3 | -34.1 | 0 | 0 | 0 | 110 | L9 F34 M38 | P7-L9 HydrophobicContact CB-CD1 4.01Å; P7-L9 HydrophobicContact CB-CG 4.03Å; P7-L9 HydrophobicContact CG-CD1 4.42Å; P7-L9 PolarHBondContact O-N 3.09Å; P7-F34 HydrophobicContact CG-CD2 4.22Å; P7-F34 HydrophobicContact CG-CE2 4.35Å; P7-M38 HydrophobicContact CB-CG 3.73Å; P7-M38 HydrophobicContact CB-SD 4.19Å; P7-M38 HydrophobicContact CG-CG 3.76Å |
| 8 | E | 85.4 | Confident | 81.7 | Confident | 146 Ų | 146 | 96.2 Ų | 96.2 | 68% | 0.682 | 49% | 0.494 | S | S | * | . | trans | -76.5 | 54.9 | 177.1 | -69.1 | -170.9 | 177.4 | 0 | 0 | 111.6 | P6 K11 | P6-E8 PolarHBondContact O-N 3Å; E8-K11 IonicContact OE2-NZ 2.81Å | ||
| 9 | L | 89.9 | Confident | 82.5 | Confident | 17 Ų | 17 | 91.2 Ų | 91.2 | 9% | 0.089 | 47% | 0.468 | C | S | . | . | trans | -86.7 | -11 | -178.7 | -69.2 | 173.5 | 0 | 0 | 0 | 113.3 | P7 K11 F12 L31 F34 L40 L70 | P7-L9 HydrophobicContact CB-CD1 4.01Å; P7-L9 HydrophobicContact CB-CG 4.03Å; P7-L9 HydrophobicContact CG-CD1 4.42Å; P7-L9 PolarHBondContact O-N 3.09Å; L9-K11 PolarHBondContact O-N 2.86Å; L9-K11 VanDerWaalsContact O-N 3.16Å; L9-F12 HydrophobicContact CD2-CD2 4.02Å; L9-F12 HydrophobicContact CD2-CE2 4.44Å; L9-F12 WeakPolarHBondContact O-CB 3.43Å; L9-F12 PolarHBondContact O-N 3.33Å; L9-L31 HydrophobicContact CB-CD2 4.39Å; L9-F34 HydrophobicContact CB-CD1 3.76Å; L9-F34 HydrophobicContact CB-CD2 4.02Å; L9-F34 HydrophobicContact CB-CE1 3.89Å; L9-F34 HydrophobicContact CB-CE2 4.12Å; L9-F34 HydrophobicContact CB-CG 3.84Å; L9-F34 HydrophobicContact CB-CZ 4.06Å; L9-F34 HydrophobicContact CD1-CB 4.01Å; L9-F34 HydrophobicContact CD1-CD2 4.18Å; L9-F34 HydrophobicContact CD1-CG 4.07Å; L9-L40 HydrophobicContact CD1-CD2 3.62Å; L9-L70 HydrophobicContact CD2-CD1 3.67Å | ||
| 10 | K | 91.4 | Very high | 83.2 | Confident | 175 Ų | 175 | 91.4 Ų | 91.4 | 76% | 0.761 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -57 | -34.7 | -177.8 | -168.1 | 174.7 | -178.5 | -179.2 | 0 | 113.3 | F12 M13 F34 | K10-F12 PolarHBondContact O-N 3.25Å; K10-M13 WeakPolarHBondContact O-CB 3.33Å; K10-M13 VanDerWaalsContact O-CG 3.31Å; K10-M13 WeakPolarHBondContact O-CG 3.37Å; K10-M13 PolarHBondContact O-N 3.16Å; K10-F34 HydrophobicContact CB-CZ 4.39Å |
| 11 | K | 92.9 | Very high | 83.9 | Confident | 109 Ų | 109 | 87.6 Ų | 87.6 | 47% | 0.474 | 45% | 0.446 | S | S | . | . | G | 310 helix | trans | -69.8 | -18.9 | 177.4 | 63.9 | -174.1 | 178.3 | -164.6 | 0 | 113.8 | E8 L9 V76 | E8-K11 IonicContact OE2-NZ 2.81Å; L9-K11 PolarHBondContact O-N 2.86Å; L9-K11 VanDerWaalsContact O-N 3.16Å; K11-V76 HydrophobicContact CB-CG1 3.7Å; K11-V76 HydrophobicContact CD-CG1 3.76Å; K11-V76 HydrophobicContact CG-CG1 3.57Å |
| 12 | F | 94.8 | Very high | 86.2 | Confident | 35 Ų | 35 | 79.6 Ų | 79.6 | 15% | 0.154 | 41% | 0.408 | C | S | . | . | G | 310 helix | trans | -97.1 | 0.8 | 179.7 | -59.5 | -81.9 | 0 | 0 | 0 | 113 | L9 K10 K15 L17 L31 L70 A72 V76 | L9-F12 HydrophobicContact CD2-CD2 4.02Å; L9-F12 HydrophobicContact CD2-CE2 4.44Å; L9-F12 WeakPolarHBondContact O-CB 3.43Å; L9-F12 PolarHBondContact O-N 3.33Å; K10-F12 PolarHBondContact O-N 3.25Å; F12-K15 VanDerWaalsContact O-CB 3.3Å; F12-K15 WeakPolarHBondContact O-CB 3.32Å; F12-K15 PolarHBondContact O-N 2.84Å; F12-L17 HydrophobicContact CB-CD1 4.21Å; F12-L17 HydrophobicContact CB-CD2 4.11Å; F12-L17 HydrophobicContact CD1-CD2 3.85Å; F12-L17 HydrophobicContact CG-CD2 4.34Å; F12-L31 HydrophobicContact CB-CD2 3.97Å; F12-L70 HydrophobicContact CD1-CD2 4.32Å; F12-L70 HydrophobicContact CE1-CD2 4.29Å; F12-L70 HydrophobicContact CZ-CD2 4.45Å; F12-A72 HydrophobicContact CD1-CB 3.89Å; F12-A72 HydrophobicContact CE1-CB 3.8Å; F12-V76 HydrophobicContact CD1-CB 4.5Å; F12-V76 HydrophobicContact CD1-CG1 4.19Å; F12-V76 HydrophobicContact CD1-CG2 3.6Å; F12-V76 HydrophobicContact CE1-CB 4.32Å; F12-V76 HydrophobicContact CE1-CG1 4.08Å; F12-V76 HydrophobicContact CE1-CG2 3.72Å; F12-V76 HydrophobicContact CZ-CG1 4.49Å |
| 13 | M | 95.8 | Very high | 88 | Confident | 53 Ų | 53 | 77.6 Ų | 77.6 | 26% | 0.261 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | 138.4 | 176.8 | -69.6 | -67.2 | -59.7 | 0 | 0 | 110.8 | K10 K15 L31 R32 F34 | K10-M13 WeakPolarHBondContact O-CB 3.33Å; K10-M13 VanDerWaalsContact O-CG 3.31Å; K10-M13 WeakPolarHBondContact O-CG 3.37Å; K10-M13 PolarHBondContact O-N 3.16Å; M13-K15 PolarHBondContact O-N 2.83Å; M13-K15 VanDerWaalsContact O-N 3.1Å; M13-L31 HydrophobicContact SD-CD2 4.09Å; M13-L31 HydrophobicContact SD-CG 4.12Å; M13-R32 WeakPolarHBondContact CE-O 3.47Å; M13-F34 HydrophobicContact CG-CE1 4.39Å; M13-F34 HydrophobicContact SD-CD1 3.83Å; M13-F34 HydrophobicContact SD-CE1 3.95Å |
| 14 | D | 96.4 | Very high | 89.6 | Confident | 97 Ų | 97 | 72.3 Ų | 72.3 | 52% | 0.519 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 17.3 | -177 | -57.2 | -59.4 | 0 | 0 | 0 | 114.3 | L31 R32 | D14-L31 PolarHBondContact N-O 3.2Å; D14-R32 IonicContact OD1-CZ 3.16Å; D14-R32 IonicContact OD1-NH1 3.67Å; D14-R32 PolarHBondContact OD1-NH1 2.94Å |
| 15 | K | 96.6 | Very high | 91.2 | Very high | 70 Ų | 70 | 73.8 Ų | 73.8 | 30% | 0.304 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -102.2 | 147.5 | 174.2 | -56.8 | -60.5 | 178.1 | -179.4 | 0 | 111.1 | F12 M13 L17 V30 L31 E74 | F12-K15 VanDerWaalsContact O-CB 3.3Å; F12-K15 WeakPolarHBondContact O-CB 3.32Å; F12-K15 PolarHBondContact O-N 2.84Å; M13-K15 PolarHBondContact O-N 2.83Å; M13-K15 VanDerWaalsContact O-N 3.1Å; K15-L17 HydrophobicContact CB-CD2 4.49Å; K15-L17 PolarHBondContact O-N 2.92Å; K15-V30 WeakPolarHBondContact O-CA 3.22Å; K15-L31 PolarHBondContact O-N 2.79Å; K15-L31 VanDerWaalsContact O-N 3.07Å; K15-E74 HydrophobicContact CD-CB 4.23Å; K15-E74 WeakPolarHBondContact CD-OE2 3.23Å; K15-E74 IonicContact NZ-OE2 3.75Å |
| 16 | K | 96.9 | Very high | 92.6 | Very high | 75 Ų | 75 | 68.3 Ų | 68.3 | 33% | 0.326 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 123.4 | 170 | -161.5 | 176.1 | -179 | 169.1 | 0 | 110.7 | G29 L73 E74 | K16-G29 CarbonylContact C-O 3.54Å; K16-G29 WeakPolarHBondContact CA-O 3.25Å; K16-L73 HydrophobicContact CB-CB 4.48Å; K16-L73 HydrophobicContact CD-CD1 4.24Å; K16-L73 HydrophobicContact CG-CD1 4.14Å; K16-L73 PolarHBondContact O-N 3.09Å; K16-E74 HydrophobicContact CB-CG 4.25Å; K16-E74 WeakPolarHBondContact CB-OE1 3.46Å; K16-E74 PolarHBondContact N-OE1 3.11Å |
| 17 | L | 97.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 151 | 179.7 | -56.7 | -176.2 | 0 | 0 | 0 | 111 | F12 K15 L19 Q28 G29 L31 M42 L70 E71 A72 | F12-L17 HydrophobicContact CB-CD1 4.21Å; F12-L17 HydrophobicContact CB-CD2 4.11Å; F12-L17 HydrophobicContact CD1-CD2 3.85Å; F12-L17 HydrophobicContact CG-CD2 4.34Å; K15-L17 HydrophobicContact CB-CD2 4.49Å; K15-L17 PolarHBondContact O-N 2.92Å; L17-L19 HydrophobicContact CB-CD2 4.41Å; L17-Q28 CarbonylContact O-C 3.54Å; L17-Q28 WeakPolarHBondContact O-CA 3.38Å; L17-G29 PolarHBondContact N-O 2.9Å; L17-G29 PolarHBondContact O-N 3.07Å; L17-L31 HydrophobicContact CD1-CB 3.75Å; L17-L31 HydrophobicContact CD1-CD2 4.07Å; L17-L31 HydrophobicContact CD1-CG 4.35Å; L17-L31 HydrophobicContact CG-CB 4.36Å; L17-M42 HydrophobicContact CB-CE 4.13Å; L17-L70 HydrophobicContact CD1-CD1 3.83Å; L17-L70 HydrophobicContact CD1-CD2 4.07Å; L17-L70 HydrophobicContact CD1-CG 3.99Å; L17-L70 HydrophobicContact CD2-CD2 4.13Å; L17-E71 CarbonylContact C-O 3.55Å; L17-E71 WeakPolarHBondContact CA-O 3.45Å; L17-A72 HydrophobicContact CD2-CB 4.02Å |
| 18 | S | 97.1 | Very high | 95 | Very high | 3 Ų | 3 | 64.2 Ų | 64.2 | 2% | 0.021 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 121.7 | 166.5 | 174.5 | 0 | 0 | 0 | 0 | 108.6 | Q26 E71 | S18-Q26 PolarHBondContact OG-NE2 3.46Å; S18-E71 PolarHBondContact N-O 3.26Å; S18-E71 PolarHBondContact O-N 2.83Å |
| 19 | L | 97.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 129.3 | -180 | -58.2 | -170.6 | 0 | 0 | 0 | 110.5 | L17 L21 Q26 V27 L40 M42 I62 M69 L70 | L17-L19 HydrophobicContact CB-CD2 4.41Å; L19-L21 HydrophobicContact CB-CD2 4.15Å; L19-Q26 VanDerWaalsContact O-CA 3.31Å; L19-Q26 WeakPolarHBondContact O-CA 3.45Å; L19-Q26 WeakPolarHBondContact O-CG 3.35Å; L19-V27 PolarHBondContact N-O 2.9Å; L19-V27 PolarHBondContact O-N 3.35Å; L19-L40 HydrophobicContact CD1-CD1 3.78Å; L19-L40 HydrophobicContact CD2-CD1 4.32Å; L19-M42 HydrophobicContact CD1-CE 4.29Å; L19-M42 HydrophobicContact CD1-SD 3.2Å; L19-M42 WeakPolarHBondContact CD1-SD 3.08Å; L19-M42 HydrophobicContact CG-CE 4.34Å; L19-M42 HydrophobicContact CG-SD 3.86Å; L19-I62 HydrophobicContact CD1-CD1 3.52Å; L19-M69 WeakPolarHBondContact CA-O 3.33Å; L19-L70 HydrophobicContact CD2-CB 3.68Å; L19-L70 HydrophobicContact CD2-CD1 3.77Å; L19-L70 HydrophobicContact CD2-CG 3.5Å |
| 20 | K | 97 | Very high | 95.9 | Very high | 95 Ų | 95 | 57.6 Ų | 57.6 | 41% | 0.413 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 126.5 | 164.8 | -62 | -175.5 | 179.9 | 174.2 | 0 | 108.7 | I68 M69 | K20-I68 HydrophobicContact CB-CB 4.49Å; K20-I68 WeakPolarHBondContact O-CB 3.17Å; K20-I68 PolarHBondContact O-N 2.79Å; K20-M69 HydrophobicContact CB-CB 4.12Å; K20-M69 HydrophobicContact CD-CB 4.42Å; K20-M69 HydrophobicContact CD-SD 4.24Å; K20-M69 HydrophobicContact CG-CB 4.44Å; K20-M69 PolarHBondContact N-O 3.33Å; K20-M69 PolarHBondContact O-N 2.86Å |
| 21 | L | 97.1 | Very high | 96.2 | Very high | 13 Ų | 13 | 49.2 Ų | 49.2 | 7% | 0.068 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 163.9 | -177.4 | -52.4 | -179.5 | 0 | 0 | 0 | 111.1 | L19 G24 R25 V27 I62 S66 I67 | L19-L21 HydrophobicContact CB-CD2 4.15Å; L21-G24 PolarHBondContact O-N 2.88Å; L21-R25 HydrophobicContact CB-CB 4.23Å; L21-R25 PolarHBondContact N-O 2.87Å; L21-V27 HydrophobicContact CD1-CG2 3.82Å; L21-I62 HydrophobicContact CD2-CG2 3.74Å; L21-S66 CarbonylContact C-O 3.58Å; L21-S66 WeakPolarHBondContact CA-O 3.31Å; L21-I67 HydrophobicContact CD2-CG1 4.09Å |
| 22 | N | 96.8 | Very high | 96.5 | Very high | 71 Ų | 71 | 48.8 Ų | 48.8 | 38% | 0.38 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 141.9 | 171.9 | -69.7 | -12.1 | 0 | 0 | 0 | 112.1 | R25 N65 S66 I68 | N22-R25 PolarHBondContact O-NE 3.37Å; N22-R25 PolarHBondContact O-NH2 2.81Å; N22-N65 PolarHBondContact ND2-O 3.44Å; N22-S66 PolarHBondContact N-O 2.88Å; N22-I68 WeakPolarHBondContact OD1-CD1 3.41Å; N22-I68 VanDerWaalsContact OD1-CG1 3.23Å; N22-I68 WeakPolarHBondContact OD1-CG1 3.46Å |
| 23 | G | 93.4 | Very high | 96.6 | Very high | 79 Ų | 79 | 47.9 Ų | 47.9 | 81% | 0.814 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.4 | 20.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | R25 | G23-R25 PolarHBondContact O-N 3.46Š|
| 24 | G | 92.8 | Very high | 96.6 | Very high | 79 Ų | 79 | 48.9 Ų | 48.9 | 81% | 0.814 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.4 | 12.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | L21 | L21-G24 PolarHBondContact O-N 2.88Š|
| 25 | R | 94.8 | Very high | 96.5 | Very high | 125 Ų | 125 | 46.7 Ų | 46.7 | 47% | 0.472 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 147.2 | 177.3 | -67.5 | 173.1 | -66.8 | 160.9 | 1 | 110 | L21 N22 G23 | L21-R25 HydrophobicContact CB-CB 4.23Å; L21-R25 PolarHBondContact N-O 2.87Å; N22-R25 PolarHBondContact O-NE 3.37Å; N22-R25 PolarHBondContact O-NH2 2.81Å; G23-R25 PolarHBondContact O-N 3.46Å |
| 26 | Q | 96.4 | Very high | 96.2 | Very high | 61 Ų | 61 | 48.6 Ų | 48.6 | 29% | 0.285 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 136.1 | 176.3 | 178.3 | 175.6 | 8.7 | 0 | 0 | 109.7 | S18 L19 M48 | S18-Q26 PolarHBondContact OG-NE2 3.46Å; L19-Q26 VanDerWaalsContact O-CA 3.31Å; L19-Q26 WeakPolarHBondContact O-CA 3.45Å; L19-Q26 WeakPolarHBondContact O-CG 3.35Å; Q26-M48 HydrophobicContact CB-CB 4.02Å; Q26-M48 HydrophobicContact CB-CG 4.4Å; Q26-M48 HydrophobicContact CG-CB 4.25Å; Q26-M48 HydrophobicContact CG-CG 4.08Å; Q26-M48 PolarHBondContact O-N 2.89Å |
| 27 | V | 97.4 | Very high | 95.9 | Very high | 10 Ų | 10 | 52.3 Ų | 52.3 | 6% | 0.061 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 137 | 178.9 | 176.9 | 0 | 0 | 0 | 0 | 108.4 | L19 L21 C45 L46 I57 I62 | L19-V27 PolarHBondContact N-O 2.9Å; L19-V27 PolarHBondContact O-N 3.35Å; L21-V27 HydrophobicContact CD1-CG2 3.82Å; V27-C45 HydrophobicContact CG1-CB 3.97Å; V27-L46 CarbonylContact C-O 3.54Å; V27-L46 WeakPolarHBondContact CA-O 3.32Å; V27-I57 HydrophobicContact CG1-CD1 4.2Å; V27-I57 HydrophobicContact CG2-CD1 4.44Å; V27-I62 HydrophobicContact CG1-CD1 4.37Å |
| 28 | Q | 97.5 | Very high | 95.7 | Very high | 35 Ų | 35 | 56.9 Ų | 56.9 | 16% | 0.164 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 148.2 | 169.3 | -62.7 | -171.4 | -4 | 0 | 0 | 110 | L17 C45 L46 M48 L73 | L17-Q28 CarbonylContact O-C 3.54Å; L17-Q28 WeakPolarHBondContact O-CA 3.38Å; Q28-C45 CarbonylContact O-C 3.55Å; Q28-C45 WeakPolarHBondContact O-CA 3.49Å; Q28-L46 PolarHBondContact N-O 3Å; Q28-L46 PolarHBondContact O-N 2.92Å; Q28-M48 HydrophobicContact CB-CE 4.34Å; Q28-M48 HydrophobicContact CG-CE 3.75Å; Q28-L73 HydrophobicContact CG-CD1 4.27Å |
| 29 | G | 97.5 | Very high | 95.6 | Very high | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.1 | -174.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | K16 L17 M42 D43 | K16-G29 CarbonylContact C-O 3.54Å; K16-G29 WeakPolarHBondContact CA-O 3.25Å; L17-G29 PolarHBondContact N-O 2.9Å; L17-G29 PolarHBondContact O-N 3.07Å; G29-M42 WeakPolarHBondContact O-CE 3.3Å; G29-D43 WeakPolarHBondContact CA-O 3.33Å |
| 30 | V | 97.9 | Very high | 95.6 | Very high | 23 Ų | 23 | 59 Ų | 59 | 14% | 0.139 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 128.9 | -177.1 | -177.4 | 0 | 0 | 0 | 0 | 110.3 | K15 R32 M42 D43 | K15-V30 WeakPolarHBondContact O-CA 3.22Å; V30-R32 PolarHBondContact O-N 2.78Å; V30-M42 CarbonylContact O-C 3.48Å; V30-M42 WeakPolarHBondContact O-CA 3.43Å; V30-D43 PolarHBondContact N-O 2.88Å; V30-D43 PolarHBondContact O-N 3.03Å |
| 31 | L | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 118.9 | 175.8 | -178 | 66.1 | 0 | 0 | 0 | 110.8 | L9 F12 M13 D14 K15 L17 G33 L40 | L9-L31 HydrophobicContact CB-CD2 4.39Å; F12-L31 HydrophobicContact CB-CD2 3.97Å; M13-L31 HydrophobicContact SD-CD2 4.09Å; M13-L31 HydrophobicContact SD-CG 4.12Å; D14-L31 PolarHBondContact N-O 3.2Å; K15-L31 PolarHBondContact O-N 2.79Å; K15-L31 VanDerWaalsContact O-N 3.07Å; L17-L31 HydrophobicContact CD1-CB 3.75Å; L17-L31 HydrophobicContact CD1-CD2 4.07Å; L17-L31 HydrophobicContact CD1-CG 4.35Å; L17-L31 HydrophobicContact CG-CB 4.36Å; L31-G33 WeakPolarHBondContact CD1-O 3.37Å; L31-L40 HydrophobicContact CD1-CB 4.07Å; L31-L40 HydrophobicContact CD1-CD1 4.4Å; L31-L40 HydrophobicContact CD1-CD2 4.01Å; L31-L40 HydrophobicContact CD1-CG 4.38Å |
| 32 | R | 98 | Very high | 95.7 | Very high | 99 Ų | 99 | 56.3 Ų | 56.3 | 37% | 0.374 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | -18.5 | 177.3 | -62.7 | -54.8 | -168.8 | -169.1 | -2.9 | 114.1 | M13 D14 V30 V41 D43 | M13-R32 WeakPolarHBondContact CE-O 3.47Å; D14-R32 IonicContact OD1-CZ 3.16Å; D14-R32 IonicContact OD1-NH1 3.67Å; D14-R32 PolarHBondContact OD1-NH1 2.94Å; V30-R32 PolarHBondContact O-N 2.78Å; R32-V41 HydrophobicContact CB-CG1 4.25Å; R32-V41 PolarHBondContact N-O 2.97Å; R32-D43 HydrophobicContact CG-CB 3.46Å; R32-D43 VanDerWaalsContact CG-CB 3.46Å; R32-D43 IonicContact CZ-OD2 3.93Å; R32-D43 IonicContact NE-OD2 3.9Å; R32-D43 PolarHBondContact NE-OD2 2.8Å; R32-D43 VanDerWaalsContact NE-OD2 3.16Å; R32-D43 IonicContact NH2-OD2 3.25Å; R32-D43 PolarHBondContact NH2-OD2 2.82Å |
| 33 | G | 96.9 | Very high | 95.8 | Very high | 16 Ų | 16 | 54.5 Ų | 54.5 | 17% | 0.165 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.6 | 160.3 | -180 | 0 | 0 | 0 | 0 | 0 | 112.4 | L31 L40 V41 | L31-G33 WeakPolarHBondContact CD1-O 3.37Å; G33-L40 WeakPolarHBondContact O-CA 3.17Å; G33-V41 PolarHBondContact N-O 2.99Å; G33-V41 PolarHBondContact O-N 2.83Å |
| 34 | F | 96.5 | Very high | 96 | Very high | 75 Ų | 75 | 55.8 Ų | 55.8 | 33% | 0.329 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 163.2 | 174.7 | 66.5 | -83.6 | 0 | 0 | 0 | 110.4 | P7 L9 K10 M13 N39 L40 | P7-F34 HydrophobicContact CG-CD2 4.22Å; P7-F34 HydrophobicContact CG-CE2 4.35Å; L9-F34 HydrophobicContact CB-CD1 3.76Å; L9-F34 HydrophobicContact CB-CD2 4.02Å; L9-F34 HydrophobicContact CB-CE1 3.89Å; L9-F34 HydrophobicContact CB-CE2 4.12Å; L9-F34 HydrophobicContact CB-CG 3.84Å; L9-F34 HydrophobicContact CB-CZ 4.06Å; L9-F34 HydrophobicContact CD1-CB 4.01Å; L9-F34 HydrophobicContact CD1-CD2 4.18Å; L9-F34 HydrophobicContact CD1-CG 4.07Å; K10-F34 HydrophobicContact CB-CZ 4.39Å; M13-F34 HydrophobicContact CG-CE1 4.39Å; M13-F34 HydrophobicContact SD-CD1 3.83Å; M13-F34 HydrophobicContact SD-CE1 3.95Å; F34-N39 WeakPolarHBondContact CA-O 3.21Å; F34-L40 HydrophobicContact CB-CD2 3.64Å |
| 35 | D | 93.8 | Very high | 96.2 | Very high | 51 Ų | 51 | 52 Ų | 52 | 27% | 0.273 | 26% | 0.259 | S | S | . | . | trans | -121.1 | 174.4 | 173.9 | 77.4 | 10.3 | 0 | 0 | 0 | 111.9 | F37 M38 N39 | D35-F37 PolarHBondContact O-N 2.98Å; D35-F37 VanDerWaalsContact O-N 3.12Å; D35-F37 WeakPolarHBondContact OD1-CA 3.3Å; D35-F37 WeakPolarHBondContact OD1-CB 3.2Å; D35-F37 PolarHBondContact OD1-N 3.41Å; D35-M38 PolarHBondContact O-N 3.27Å; D35-M38 PolarHBondContact OD1-N 2.85Å; D35-M38 VanDerWaalsContact OD1-N 3.13Å; D35-N39 PolarHBondContact N-O 3.17Å; D35-N39 VanDerWaalsContact N-O 3.14Å; D35-N39 PolarHBondContact OD1-N 3.1Å; D35-N39 PolarHBondContact OD1-ND2 3.31Å; D35-N39 WeakPolarHBondContact OD2-CB 3.16Å; D35-N39 PolarHBondContact OD2-ND2 2.85Å | ||
| 36 | P | 91.1 | Very high | 96.3 | Very high | 109 Ų | 109 | 47.7 Ų | 47.7 | 71% | 0.708 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -17 | 179 | -26.2 | 36.7 | 0 | 0 | 0 | 115.2 | M38 | P36-M38 VanDerWaalsContact C-N 3.34Š|
| 37 | F | 90.3 | Very high | 96.3 | Very high | 153 Ų | 153 | 47.8 Ų | 47.8 | 67% | 0.671 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | 9.1 | 177.7 | -55.9 | -73.7 | 0 | 0 | 0 | 112.4 | D35 N39 | D35-F37 PolarHBondContact O-N 2.98Å; D35-F37 VanDerWaalsContact O-N 3.12Å; D35-F37 WeakPolarHBondContact OD1-CA 3.3Å; D35-F37 WeakPolarHBondContact OD1-CB 3.2Å; D35-F37 PolarHBondContact OD1-N 3.41Å; F37-N39 PolarHBondContact O-N 3.45Å |
| 38 | M | 92.8 | Very high | 96.2 | Very high | 97 Ų | 97 | 49.4 Ų | 49.4 | 48% | 0.478 | 25% | 0.253 | S | S | . | . | trans | 60.9 | 24.3 | -174.9 | -58.2 | -176.2 | -67.2 | 0 | 0 | 113.9 | P7 D35 P36 G64 | P7-M38 HydrophobicContact CB-CG 3.73Å; P7-M38 HydrophobicContact CB-SD 4.19Å; P7-M38 HydrophobicContact CG-CG 3.76Å; D35-M38 PolarHBondContact O-N 3.27Å; D35-M38 PolarHBondContact OD1-N 2.85Å; D35-M38 VanDerWaalsContact OD1-N 3.13Å; P36-M38 VanDerWaalsContact C-N 3.34Å; M38-G64 WeakPolarHBondContact O-CA 3.49Å | ||
| 39 | N | 95.5 | Very high | 95.8 | Very high | 45 Ų | 45 | 48.7 Ų | 48.7 | 24% | 0.241 | 25% | 0.253 | C | S | . | . | trans | -68.4 | 135.8 | 163.2 | -55.6 | -51.7 | 0 | 0 | 0 | 108.1 | F34 D35 F37 I62 R63 G64 | F34-N39 WeakPolarHBondContact CA-O 3.21Å; D35-N39 PolarHBondContact N-O 3.17Å; D35-N39 VanDerWaalsContact N-O 3.14Å; D35-N39 PolarHBondContact OD1-N 3.1Å; D35-N39 PolarHBondContact OD1-ND2 3.31Å; D35-N39 WeakPolarHBondContact OD2-CB 3.16Å; D35-N39 PolarHBondContact OD2-ND2 2.85Å; F37-N39 PolarHBondContact O-N 3.45Å; N39-I62 CarbonylContact C-O 3.48Å; N39-I62 VanDerWaalsContact CA-O 3.26Å; N39-I62 WeakPolarHBondContact CA-O 3.37Å; N39-R63 VanDerWaalsContact OD1-CA 3.32Å; N39-R63 WeakPolarHBondContact OD1-CA 3.5Å; N39-G64 PolarHBondContact OD1-N 3.13Å | ||
| 40 | L | 97.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 139 | -174.2 | -52.4 | -176.7 | 0 | 0 | 0 | 110.4 | L9 L19 L31 G33 F34 M42 V61 I62 I67 L70 | L9-L40 HydrophobicContact CD1-CD2 3.62Å; L19-L40 HydrophobicContact CD1-CD1 3.78Å; L19-L40 HydrophobicContact CD2-CD1 4.32Å; L31-L40 HydrophobicContact CD1-CB 4.07Å; L31-L40 HydrophobicContact CD1-CD1 4.4Å; L31-L40 HydrophobicContact CD1-CD2 4.01Å; L31-L40 HydrophobicContact CD1-CG 4.38Å; G33-L40 WeakPolarHBondContact O-CA 3.17Å; F34-L40 HydrophobicContact CB-CD2 3.64Å; L40-M42 HydrophobicContact CB-CG 4.35Å; L40-V61 CarbonylContact O-C 3.58Å; L40-V61 WeakPolarHBondContact O-CA 3.45Å; L40-I62 PolarHBondContact N-O 2.97Å; L40-I62 PolarHBondContact O-N 2.87Å; L40-I67 HydrophobicContact CD1-CD1 3.45Å; L40-I67 VanDerWaalsContact CD1-CD1 3.45Å; L40-I67 HydrophobicContact CG-CD1 3.68Å; L40-L70 HydrophobicContact CD1-CD1 4.19Å |
| 41 | V | 98 | Very high | 94.7 | Very high | 52 Ų | 52 | 57.5 Ų | 57.5 | 32% | 0.315 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 119.9 | 163.1 | -175.5 | 0 | 0 | 0 | 0 | 106.7 | R32 G33 M59 V61 | R32-V41 HydrophobicContact CB-CG1 4.25Å; R32-V41 PolarHBondContact N-O 2.97Å; G33-V41 PolarHBondContact N-O 2.99Å; G33-V41 PolarHBondContact O-N 2.83Å; V41-M59 HydrophobicContact CG1-CG 4.42Å; V41-V61 HydrophobicContact CG2-CG2 4.41Å |
| 42 | M | 98.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 149.4 | 176.8 | -63.1 | -172.8 | 72.6 | 0 | 0 | 110.9 | L17 L19 G29 V30 L40 C45 M59 V60 I62 | L17-M42 HydrophobicContact CB-CE 4.13Å; L19-M42 HydrophobicContact CD1-CE 4.29Å; L19-M42 HydrophobicContact CD1-SD 3.2Å; L19-M42 WeakPolarHBondContact CD1-SD 3.08Å; L19-M42 HydrophobicContact CG-CE 4.34Å; L19-M42 HydrophobicContact CG-SD 3.86Å; G29-M42 WeakPolarHBondContact O-CE 3.3Å; V30-M42 CarbonylContact O-C 3.48Å; V30-M42 WeakPolarHBondContact O-CA 3.43Å; L40-M42 HydrophobicContact CB-CG 4.35Å; M42-C45 WeakPolarHBondContact CB-SG 3.33Å; M42-M59 CarbonylContact O-C 3.56Å; M42-M59 WeakPolarHBondContact O-CA 3.18Å; M42-V60 HydrophobicContact CB-CG2 4.17Å; M42-V60 PolarHBondContact N-O 2.85Å; M42-V60 PolarHBondContact O-N 2.74Å; M42-I62 HydrophobicContact CG-CD1 4.46Å; M42-I62 HydrophobicContact SD-CD1 3.7Å |
| 43 | D | 98.1 | Very high | 93.9 | Very high | 33 Ų | 33 | 60.8 Ų | 60.8 | 18% | 0.176 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 160.8 | -176.3 | -168.2 | 25.2 | 0 | 0 | 0 | 110.3 | G29 V30 R32 C45 M59 | G29-D43 WeakPolarHBondContact CA-O 3.33Å; V30-D43 PolarHBondContact N-O 2.88Å; V30-D43 PolarHBondContact O-N 3.03Å; R32-D43 HydrophobicContact CG-CB 3.46Å; R32-D43 VanDerWaalsContact CG-CB 3.46Å; R32-D43 IonicContact CZ-OD2 3.93Å; R32-D43 IonicContact NE-OD2 3.9Å; R32-D43 PolarHBondContact NE-OD2 2.8Å; R32-D43 VanDerWaalsContact NE-OD2 3.16Å; R32-D43 IonicContact NH2-OD2 3.25Å; R32-D43 PolarHBondContact NH2-OD2 2.82Å; D43-C45 PolarHBondContact O-N 3.14Å; D43-M59 HydrophobicContact CB-CE 4.48Å |
| 44 | D | 97.1 | Very high | 93.8 | Very high | 106 Ų | 106 | 65.4 Ų | 65.4 | 57% | 0.567 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 48.2 | 41.2 | -173.3 | -65 | -41 | 0 | 0 | 0 | 113.1 | ||
| 45 | C | 97.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 141.3 | -172.6 | -80.6 | 0 | 0 | 0 | 0 | 113.8 | V27 Q28 M42 D43 I57 G58 V60 | V27-C45 HydrophobicContact CG1-CB 3.97Å; Q28-C45 CarbonylContact O-C 3.55Å; Q28-C45 WeakPolarHBondContact O-CA 3.49Å; M42-C45 WeakPolarHBondContact CB-SG 3.33Å; D43-C45 PolarHBondContact O-N 3.14Å; C45-I57 HydrophobicContact CB-CD1 3.87Å; C45-I57 HydrophobicContact CB-CG1 3.44Å; C45-I57 VanDerWaalsContact CB-CG1 3.44Å; C45-I57 WeakPolarHBondContact O-CG1 3.21Å; C45-I57 PolarHBondContact O-N 2.84Å; C45-G58 VanDerWaalsContact CB-O 3.25Å; C45-G58 WeakPolarHBondContact CB-O 3.31Å; C45-G58 PolarHBondContact N-O 3.16Å; C45-G58 PolarHBondContact O-N 2.91Å; C45-V60 HydrophobicContact CB-CG2 3.94Å; C45-V60 VanDerWaalsContact SG-CG2 3.53Å |
| 46 | L | 97 | Very high | 93.9 | Very high | 35 Ų | 35 | 68 Ų | 68 | 18% | 0.183 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 120.8 | 172.7 | -63 | 172 | 0 | 0 | 0 | 109.1 | V27 Q28 N55 T56 | V27-L46 CarbonylContact C-O 3.54Å; V27-L46 WeakPolarHBondContact CA-O 3.32Å; Q28-L46 PolarHBondContact N-O 3Å; Q28-L46 PolarHBondContact O-N 2.92Å; L46-N55 CarbonylContact C-O 3.54Å; L46-N55 WeakPolarHBondContact CA-O 3.32Å; L46-T56 HydrophobicContact CD2-CG2 4.48Å; L46-T56 WeakPolarHBondContact CD2-OG1 3.4Å |
| 47 | E | 96.4 | Very high | 94.2 | Very high | 63 Ų | 63 | 66.1 Ų | 66.1 | 29% | 0.294 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 127.5 | 166.9 | -180 | -173 | -140 | 0 | 0 | 109.6 | A49 Q54 N55 I57 | E47-A49 PolarHBondContact O-N 2.9Å; E47-Q54 WeakPolarHBondContact O-CA 3.26Å; E47-N55 HydrophobicContact CB-CB 4.28Å; E47-N55 PolarHBondContact N-O 3.37Å; E47-N55 PolarHBondContact O-N 2.84Å; E47-N55 PolarHBondContact OE2-ND2 3.37Å; E47-N55 VanDerWaalsContact OE2-ND2 3.09Å; E47-I57 HydrophobicContact CB-CD1 4.34Å; E47-I57 HydrophobicContact CB-CG2 4.25Å |
| 48 | M | 94.6 | Very high | 94.5 | Very high | 43 Ų | 43 | 60 Ų | 60 | 21% | 0.212 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 91.8 | 173.2 | -60.7 | -65.7 | 179.4 | 0 | 0 | 108.9 | Q26 Q28 Q54 | Q26-M48 HydrophobicContact CB-CB 4.02Å; Q26-M48 HydrophobicContact CB-CG 4.4Å; Q26-M48 HydrophobicContact CG-CB 4.25Å; Q26-M48 HydrophobicContact CG-CG 4.08Å; Q26-M48 PolarHBondContact O-N 2.89Å; Q28-M48 HydrophobicContact CB-CE 4.34Å; Q28-M48 HydrophobicContact CG-CE 3.75Å; M48-Q54 HydrophobicContact CE-CG 4.45Å; M48-Q54 HydrophobicContact SD-CG 3.69Å; M48-Q54 PolarHBondContact SD-NE2 3.05Å |
| 49 | A | 89.9 | Confident | 94.7 | Very high | 21 Ų | 21 | 61.5 Ų | 61.5 | 17% | 0.174 | 38% | 0.376 | C | S | . | . | trans | -78.7 | 158.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E47 G52 I53 | E47-A49 PolarHBondContact O-N 2.9Å; A49-G52 PolarHBondContact O-N 3.22Å; A49-I53 HydrophobicContact CB-CB 4.11Å; A49-I53 PolarHBondContact N-O 3.31Å | ||
| 50 | P | 85.6 | Confident | 94.8 | Very high | 124 Ų | 124 | 60.9 Ų | 60.9 | 81% | 0.805 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -53.6 | 143.2 | 174.3 | -24.4 | 33.9 | 0 | 0 | 0 | 112 | ||
| 51 | G | 86.7 | Confident | 94.8 | Very high | 84 Ų | 84 | 66.1 Ų | 66.1 | 87% | 0.866 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | 82.4 | 10.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | I53 | G51-I53 VanDerWaalsContact C-N 3.32Š|
| 52 | G | 86.2 | Confident | 94.7 | Very high | 68 Ų | 68 | 64.4 Ų | 64.4 | 70% | 0.701 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | 81.6 | 10.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | A49 | A49-G52 PolarHBondContact O-N 3.22Š|
| 53 | I | 92.2 | Very high | 94.7 | Very high | 100 Ų | 100 | 72.3 Ų | 72.3 | 51% | 0.513 | 42% | 0.424 | S | S | . | . | trans | -72.6 | 134.3 | 176.4 | -57.2 | 177.6 | 0 | 0 | 0 | 108.8 | A49 G51 | A49-I53 HydrophobicContact CB-CB 4.11Å; A49-I53 PolarHBondContact N-O 3.31Å; G51-I53 VanDerWaalsContact C-N 3.32Å | ||
| 54 | Q | 94.6 | Very high | 94.6 | Very high | 114 Ų | 114 | 70.9 Ų | 70.9 | 53% | 0.533 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 115.5 | 175.9 | -63.2 | -171.8 | -2.9 | 0 | 0 | 109.9 | E47 M48 | E47-Q54 WeakPolarHBondContact O-CA 3.26Å; M48-Q54 HydrophobicContact CE-CG 4.45Å; M48-Q54 HydrophobicContact SD-CG 3.69Å; M48-Q54 PolarHBondContact SD-NE2 3.05Å |
| 55 | N | 95.4 | Very high | 94.5 | Very high | 68 Ų | 68 | 71.7 Ų | 71.7 | 36% | 0.364 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 126.2 | 176.8 | -58.5 | -41.9 | 0 | 0 | 0 | 109.5 | L46 E47 I57 | L46-N55 CarbonylContact C-O 3.54Å; L46-N55 WeakPolarHBondContact CA-O 3.32Å; E47-N55 HydrophobicContact CB-CB 4.28Å; E47-N55 PolarHBondContact N-O 3.37Å; E47-N55 PolarHBondContact O-N 2.84Å; E47-N55 PolarHBondContact OE2-ND2 3.37Å; E47-N55 VanDerWaalsContact OE2-ND2 3.09Å; N55-I57 HydrophobicContact CB-CG2 4.48Å; N55-I57 PolarHBondContact O-N 3.48Å |
| 56 | T | 96.9 | Very high | 94.5 | Very high | 112 Ų | 112 | 73.3 Ų | 73.3 | 69% | 0.687 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 120.5 | 171.9 | -54.4 | 0 | 0 | 0 | 0 | 109.2 | L46 | L46-T56 HydrophobicContact CD2-CG2 4.48Å; L46-T56 WeakPolarHBondContact CD2-OG1 3.4Å |
| 57 | I | 96.8 | Very high | 94.4 | Very high | 69 Ų | 69 | 73.5 Ų | 73.5 | 35% | 0.354 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | -2.8 | -177.6 | 64.2 | 178.3 | 0 | 0 | 0 | 112.6 | V27 C45 E47 N55 V60 | V27-I57 HydrophobicContact CG1-CD1 4.2Å; V27-I57 HydrophobicContact CG2-CD1 4.44Å; C45-I57 HydrophobicContact CB-CD1 3.87Å; C45-I57 HydrophobicContact CB-CG1 3.44Å; C45-I57 VanDerWaalsContact CB-CG1 3.44Å; C45-I57 WeakPolarHBondContact O-CG1 3.21Å; C45-I57 PolarHBondContact O-N 2.84Å; E47-I57 HydrophobicContact CB-CD1 4.34Å; E47-I57 HydrophobicContact CB-CG2 4.25Å; N55-I57 HydrophobicContact CB-CG2 4.48Å; N55-I57 PolarHBondContact O-N 3.48Å; I57-V60 HydrophobicContact CB-CG1 4.24Å; I57-V60 HydrophobicContact CD1-CG1 3.76Å; I57-V60 HydrophobicContact CD1-CG2 4.45Å; I57-V60 HydrophobicContact CG1-CG1 3.77Å |
| 58 | G | 96.6 | Very high | 94.5 | Very high | 26 Ų | 26 | 75.7 Ų | 75.7 | 27% | 0.268 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 69.8 | -134.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | C45 | C45-G58 VanDerWaalsContact CB-O 3.25Å; C45-G58 WeakPolarHBondContact CB-O 3.31Å; C45-G58 PolarHBondContact N-O 3.16Å; C45-G58 PolarHBondContact O-N 2.91Å |
| 59 | M | 97.4 | Very high | 94.5 | Very high | 128 Ų | 128 | 78.2 Ų | 78.2 | 63% | 0.631 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 126 | 178.4 | -173.8 | 177.8 | -68.3 | 0 | 0 | 111.1 | V41 M42 D43 | V41-M59 HydrophobicContact CG1-CG 4.42Å; M42-M59 CarbonylContact O-C 3.56Å; M42-M59 WeakPolarHBondContact O-CA 3.18Å; D43-M59 HydrophobicContact CB-CE 4.48Å |
| 60 | V | 97.3 | Very high | 94.7 | Very high | 31 Ų | 31 | 79.6 Ų | 79.6 | 19% | 0.188 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 151.3 | -176.9 | -59.8 | 0 | 0 | 0 | 0 | 112.1 | M42 C45 I57 I62 | M42-V60 HydrophobicContact CB-CG2 4.17Å; M42-V60 PolarHBondContact N-O 2.85Å; M42-V60 PolarHBondContact O-N 2.74Å; C45-V60 HydrophobicContact CB-CG2 3.94Å; C45-V60 VanDerWaalsContact SG-CG2 3.53Å; I57-V60 HydrophobicContact CB-CG1 4.24Å; I57-V60 HydrophobicContact CD1-CG1 3.76Å; I57-V60 HydrophobicContact CD1-CG2 4.45Å; I57-V60 HydrophobicContact CG1-CG1 3.77Å; V60-I62 HydrophobicContact CG2-CD1 4.29Å; V60-I62 HydrophobicContact CG2-CG1 4.2Å |
| 61 | V | 97.6 | Very high | 95.2 | Very high | 112 Ų | 112 | 78.5 Ų | 78.5 | 68% | 0.679 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 124.8 | 169.4 | -178.4 | 0 | 0 | 0 | 0 | 108.8 | L40 V41 | L40-V61 CarbonylContact O-C 3.58Å; L40-V61 WeakPolarHBondContact O-CA 3.45Å; V41-V61 HydrophobicContact CG2-CG2 4.41Å |
| 62 | I | 97.3 | Very high | 95.6 | Very high | 15 Ų | 15 | 76 Ų | 76 | 8% | 0.077 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 127 | -179.7 | -62.6 | 173.6 | 0 | 0 | 0 | 108.8 | L19 L21 V27 N39 L40 M42 V60 I67 | L19-I62 HydrophobicContact CD1-CD1 3.52Å; L21-I62 HydrophobicContact CD2-CG2 3.74Å; V27-I62 HydrophobicContact CG1-CD1 4.37Å; N39-I62 CarbonylContact C-O 3.48Å; N39-I62 VanDerWaalsContact CA-O 3.26Å; N39-I62 WeakPolarHBondContact CA-O 3.37Å; L40-I62 PolarHBondContact N-O 2.97Å; L40-I62 PolarHBondContact O-N 2.87Å; M42-I62 HydrophobicContact CG-CD1 4.46Å; M42-I62 HydrophobicContact SD-CD1 3.7Å; V60-I62 HydrophobicContact CG2-CD1 4.29Å; V60-I62 HydrophobicContact CG2-CG1 4.2Å; I62-I67 HydrophobicContact CG2-CD1 4.01Å; I62-I67 HydrophobicContact CG2-CG1 3.7Å |
| 63 | R | 97.4 | Very high | 95.9 | Very high | 166 Ų | 166 | 76.5 Ų | 76.5 | 63% | 0.626 | 40% | 0.404 | S | S | * | . | trans | -72 | 129.6 | 176.9 | -171.9 | -178 | 177.7 | 108.9 | 1 | 110.5 | N39 N65 S66 | N39-R63 VanDerWaalsContact OD1-CA 3.32Å; N39-R63 WeakPolarHBondContact OD1-CA 3.5Å; R63-N65 VanDerWaalsContact C-N 3.31Å; R63-N65 PolarHBondContact O-N 2.92Å; R63-S66 WeakPolarHBondContact O-CB 3.49Å; R63-S66 PolarHBondContact O-N 3.12Å | ||
| 64 | G | 94.9 | Very high | 95.6 | Very high | 4 Ų | 4 | 75.6 Ų | 75.6 | 4% | 0.041 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -54.9 | -41.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | M38 N39 S66 I67 | M38-G64 WeakPolarHBondContact O-CA 3.49Å; N39-G64 PolarHBondContact OD1-N 3.13Å; G64-S66 PolarHBondContact O-N 3.04Å; G64-I67 WeakPolarHBondContact O-CB 3.44Å; G64-I67 PolarHBondContact O-N 3.33Å |
| 65 | N | 96.1 | Very high | 95.1 | Very high | 123 Ų | 123 | 81.4 Ų | 81.4 | 66% | 0.658 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -62.5 | -15.5 | 177 | -69 | 0.6 | 0 | 0 | 0 | 114.6 | N22 R63 | N22-N65 PolarHBondContact ND2-O 3.44Å; R63-N65 VanDerWaalsContact C-N 3.31Å; R63-N65 PolarHBondContact O-N 2.92Å |
| 66 | S | 97.1 | Very high | 94.3 | Very high | 33 Ų | 33 | 83 Ų | 83 | 23% | 0.231 | 43% | 0.427 | C | S | . | . | G | 310 helix | trans | -91.4 | -8.5 | 176.9 | -64.3 | 0 | 0 | 0 | 0 | 113.3 | L21 N22 R63 G64 | L21-S66 CarbonylContact C-O 3.58Å; L21-S66 WeakPolarHBondContact CA-O 3.31Å; N22-S66 PolarHBondContact N-O 2.88Å; R63-S66 WeakPolarHBondContact O-CB 3.49Å; R63-S66 PolarHBondContact O-N 3.12Å; G64-S66 PolarHBondContact O-N 3.04Å |
| 67 | I | 96.3 | Very high | 94.2 | Very high | 40 Ų | 40 | 81.6 Ų | 81.6 | 21% | 0.205 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 119.7 | -178 | -55.4 | 173.8 | 0 | 0 | 0 | 108.6 | L21 L40 I62 G64 | L21-I67 HydrophobicContact CD2-CG1 4.09Å; L40-I67 HydrophobicContact CD1-CD1 3.45Å; L40-I67 VanDerWaalsContact CD1-CD1 3.45Å; L40-I67 HydrophobicContact CG-CD1 3.68Å; I62-I67 HydrophobicContact CG2-CD1 4.01Å; I62-I67 HydrophobicContact CG2-CG1 3.7Å; G64-I67 WeakPolarHBondContact O-CB 3.44Å; G64-I67 PolarHBondContact O-N 3.33Å |
| 68 | I | 96.8 | Very high | 94 | Very high | 109 Ų | 109 | 82.2 Ų | 82.2 | 56% | 0.559 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.5 | -42.4 | 174.3 | -60.4 | 178 | 0 | 0 | 0 | 109.9 | K20 N22 | K20-I68 HydrophobicContact CB-CB 4.49Å; K20-I68 WeakPolarHBondContact O-CB 3.17Å; K20-I68 PolarHBondContact O-N 2.79Å; N22-I68 WeakPolarHBondContact OD1-CD1 3.41Å; N22-I68 VanDerWaalsContact OD1-CG1 3.23Å; N22-I68 WeakPolarHBondContact OD1-CG1 3.46Å |
| 69 | M | 95.1 | Very high | 93.9 | Very high | 96 Ų | 96 | 85.3 Ų | 85.3 | 47% | 0.473 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 145.3 | -174.7 | -173.8 | 178.7 | -74.5 | 0 | 0 | 110.6 | L19 K20 | L19-M69 WeakPolarHBondContact CA-O 3.33Å; K20-M69 HydrophobicContact CB-CB 4.12Å; K20-M69 HydrophobicContact CD-CB 4.42Å; K20-M69 HydrophobicContact CD-SD 4.24Å; K20-M69 HydrophobicContact CG-CB 4.44Å; K20-M69 PolarHBondContact N-O 3.33Å; K20-M69 PolarHBondContact O-N 2.86Å |
| 70 | L | 94.9 | Very high | 93.7 | Very high | 49 Ų | 49 | 82.8 Ų | 82.8 | 26% | 0.257 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 130.7 | 173.8 | -179.4 | 158 | 0 | 0 | 0 | 108.4 | L9 F12 L17 L19 L40 | L9-L70 HydrophobicContact CD2-CD1 3.67Å; F12-L70 HydrophobicContact CD1-CD2 4.32Å; F12-L70 HydrophobicContact CE1-CD2 4.29Å; F12-L70 HydrophobicContact CZ-CD2 4.45Å; L17-L70 HydrophobicContact CD1-CD1 3.83Å; L17-L70 HydrophobicContact CD1-CD2 4.07Å; L17-L70 HydrophobicContact CD1-CG 3.99Å; L17-L70 HydrophobicContact CD2-CD2 4.13Å; L19-L70 HydrophobicContact CD2-CB 3.68Å; L19-L70 HydrophobicContact CD2-CD1 3.77Å; L19-L70 HydrophobicContact CD2-CG 3.5Å; L40-L70 HydrophobicContact CD1-CD1 4.19Å |
| 71 | E | 95.1 | Very high | 93.4 | Very high | 102 Ų | 102 | 86.1 Ų | 86.1 | 48% | 0.477 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 133.9 | 179.4 | -177.3 | 177 | -167.9 | 0 | 0 | 109.5 | L17 S18 | L17-E71 CarbonylContact C-O 3.55Å; L17-E71 WeakPolarHBondContact CA-O 3.45Å; S18-E71 PolarHBondContact N-O 3.26Å; S18-E71 PolarHBondContact O-N 2.83Å |
| 72 | A | 94.6 | Very high | 93.2 | Very high | 32 Ų | 32 | 84.3 Ų | 84.3 | 26% | 0.264 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 128.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | F12 L17 E74 V76 | F12-A72 HydrophobicContact CD1-CB 3.89Å; F12-A72 HydrophobicContact CE1-CB 3.8Å; L17-A72 HydrophobicContact CD2-CB 4.02Å; A72-E74 VanDerWaalsContact C-N 3.3Å; A72-E74 WeakPolarHBondContact CB-O 3.08Å; A72-V76 HydrophobicContact CB-CG2 3.63Å |
| 73 | L | 92.6 | Very high | 92.9 | Very high | 78 Ų | 78 | 89.3 Ų | 89.3 | 41% | 0.408 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -88 | -8.6 | 173.2 | -58.9 | -178.4 | 0 | 0 | 0 | 111.9 | K16 Q28 | K16-L73 HydrophobicContact CB-CB 4.48Å; K16-L73 HydrophobicContact CD-CD1 4.24Å; K16-L73 HydrophobicContact CG-CD1 4.14Å; K16-L73 PolarHBondContact O-N 3.09Å; Q28-L73 HydrophobicContact CG-CD1 4.27Å |
| 74 | E | 87 | Confident | 92.5 | Very high | 81 Ų | 81 | 83.4 Ų | 83.4 | 38% | 0.379 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -118.3 | 160.8 | 177.6 | -66.6 | 175.9 | -167.7 | 0 | 0 | 110.3 | K15 K16 A72 V76 | K15-E74 HydrophobicContact CD-CB 4.23Å; K15-E74 WeakPolarHBondContact CD-OE2 3.23Å; K15-E74 IonicContact NZ-OE2 3.75Å; K16-E74 HydrophobicContact CB-CG 4.25Å; K16-E74 WeakPolarHBondContact CB-OE1 3.46Å; K16-E74 PolarHBondContact N-OE1 3.11Å; A72-E74 VanDerWaalsContact C-N 3.3Å; A72-E74 WeakPolarHBondContact CB-O 3.08Å; E74-V76 PolarHBondContact O-N 3.28Å |
| 75 | R | 84.8 | Confident | 92.3 | Very high | 235 Ų | 235 | 90 Ų | 90 | 89% | 0.887 | 45% | 0.451 | S | S | * | . | trans | -68.2 | 131.9 | 174.9 | -169 | 173.7 | -179.6 | 168.5 | 0.2 | 110.4 | ||||
| 76 | V | 77.6 | Confident | 92 | Very high | 102 Ų | 102 | 87 Ų | 87 | 62% | 0.618 | 43% | 0.432 | S | S | * | . | trans | -114.9 | 0 | -179.4 | 179.7 | 0 | 0 | 0 | 0 | 109.9 | K11 F12 A72 E74 | K11-V76 HydrophobicContact CB-CG1 3.7Å; K11-V76 HydrophobicContact CD-CG1 3.76Å; K11-V76 HydrophobicContact CG-CG1 3.57Å; F12-V76 HydrophobicContact CD1-CB 4.5Å; F12-V76 HydrophobicContact CD1-CG1 4.19Å; F12-V76 HydrophobicContact CD1-CG2 3.6Å; F12-V76 HydrophobicContact CE1-CB 4.32Å; F12-V76 HydrophobicContact CE1-CG1 4.08Å; F12-V76 HydrophobicContact CE1-CG2 3.72Å; F12-V76 HydrophobicContact CZ-CG1 4.49Å; A72-V76 HydrophobicContact CB-CG2 3.63Å; E74-V76 PolarHBondContact O-N 3.28Å |
Retrieved 76 of 76 residues in 237.4 ms
(Link to these results)