| 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 | 57.6 | Low | 70.7 | Confident | 228 Ų | 228 | 138.6 Ų | 138.6 | 100% | 1.123 | 72% | 0.723 | S | S | * | * | 0 | 121.8 | 0 | -173.1 | -177.6 | -120.9 | 0 | 0 | 106.7 | |||||
| 2 | V | 70 | Confident | 70.6 | Confident | 135 Ų | 135 | 132.7 Ų | 132.7 | 82% | 0.818 | 72% | 0.721 | S | S | * | * | trans | -97.8 | 125.4 | -179.5 | -179.4 | 0 | 0 | 0 | 0 | 108.3 | I4 | V2-I4 HydrophobicContact CG1-CG1 4.44Š| ||
| 3 | Q | 73.9 | Confident | 71 | Confident | 146 Ų | 146 | 126.6 Ų | 126.6 | 68% | 0.682 | 69% | 0.694 | S | S | * | * | trans | -107.9 | 133.3 | 173.8 | -70.7 | -179 | -41.4 | 0 | 0 | 108.7 | F5 | Q3-F5 HydrophobicContact CB-CE2 4.45Š| ||
| 4 | I | 74.4 | Confident | 71.6 | Confident | 127 Ų | 127 | 124.6 Ų | 124.6 | 65% | 0.651 | 69% | 0.694 | S | S | * | * | trans | -113.3 | 119.5 | 177.5 | -57.8 | 175 | 0 | 0 | 0 | 107.1 | V2 | V2-I4 HydrophobicContact CG1-CG1 4.44Š| ||
| 5 | F | 74.2 | Confident | 72.5 | Confident | 178 Ų | 178 | 118.5 Ų | 118.5 | 78% | 0.781 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 121 | 175.9 | -66.6 | -86.2 | 0 | 0 | 0 | 109.3 | Q3 | Q3-F5 HydrophobicContact CB-CE2 4.45Š|
| 6 | I | 75.4 | Confident | 73.7 | Confident | 75 Ų | 75 | 115.8 Ų | 115.8 | 39% | 0.385 | 65% | 0.651 | S | S | . | * | P | Polyproline II helix | trans | -92.5 | 116.7 | 176.9 | -56.4 | 175.4 | 0 | 0 | 0 | 107.2 | G8 V112 L115 | I6-G8 PolarHBondContact O-N 2.85Å; I6-V112 HydrophobicContact CB-CG2 4.44Å; I6-V112 HydrophobicContact CD1-CG1 4.38Å; I6-V112 HydrophobicContact CD1-CG2 4.22Å; I6-V112 HydrophobicContact CG1-CG2 4.02Å; I6-V112 HydrophobicContact CG2-CB 4.21Å; I6-V112 HydrophobicContact CG2-CG2 3.75Å; I6-L115 HydrophobicContact CD1-CD2 4.01Å |
| 7 | R | 72.1 | Confident | 74.8 | Confident | 243 Ų | 243 | 114.6 Ų | 114.6 | 92% | 0.917 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 122.2 | 166.6 | -81.6 | -176.8 | 169.7 | 145.5 | -2.3 | 108 | ||
| 8 | G | 67.4 | Low | 76 | Confident | 57 Ų | 57 | 115.4 Ų | 115.4 | 59% | 0.588 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 155.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | I6 | I6-G8 PolarHBondContact O-N 2.85Š|
| 9 | S | 72 | Confident | 77 | Confident | 63 Ų | 63 | 113.6 Ų | 113.6 | 44% | 0.441 | 62% | 0.62 | S | S | . | * | P | Polyproline II helix | trans | -64.8 | 152.5 | 173.1 | 178.6 | 0 | 0 | 0 | 0 | 110.2 | D11 G12 | S9-D11 WeakPolarHBondContact CB-OD1 3.21Å; S9-D11 PolarHBondContact O-N 2.78Å; S9-D11 PolarHBondContact OG-OD1 2.88Å; S9-G12 WeakPolarHBondContact O-CA 3.39Å; S9-G12 PolarHBondContact O-N 3.41Å |
| 10 | V | 66.8 | Low | 78 | Confident | 156 Ų | 156 | 110.6 Ų | 110.6 | 95% | 0.945 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | -24.7 | -172 | -163.8 | 0 | 0 | 0 | 0 | 111.9 | G12 | V10-G12 PolarHBondContact O-N 3.22Š|
| 11 | D | 74.4 | Confident | 78.8 | Confident | 117 Ų | 117 | 108.4 Ų | 108.4 | 63% | 0.626 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | 0.3 | 172.5 | 64 | -16.3 | 0 | 0 | 0 | 113.6 | S9 S13 | S9-D11 WeakPolarHBondContact CB-OD1 3.21Å; S9-D11 PolarHBondContact O-N 2.78Å; S9-D11 PolarHBondContact OG-OD1 2.88Å; D11-S13 PolarHBondContact O-N 3.33Å; D11-S13 WeakPolarHBondContact OD1-CB 3.38Å; D11-S13 PolarHBondContact OD1-N 3.07Å; D11-S13 VanDerWaalsContact OD1-N 3.07Å; D11-S13 PolarHBondContact OD1-OG 3.44Å; D11-S13 WeakPolarHBondContact OD2-CB 3.42Å; D11-S13 PolarHBondContact OD2-OG 2.88Å |
| 12 | G | 69 | Low | 80.6 | Confident | 67 Ų | 67 | 100.3 Ų | 100.3 | 69% | 0.691 | 55% | 0.552 | S | S | * | * | trans | 73.6 | 6.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | S9 V10 | S9-G12 WeakPolarHBondContact O-CA 3.39Å; S9-G12 PolarHBondContact O-N 3.41Å; V10-G12 PolarHBondContact O-N 3.22Å | ||
| 13 | S | 75.4 | Confident | 81.8 | Confident | 54 Ų | 54 | 96.4 Ų | 96.4 | 38% | 0.378 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -73.9 | 132.8 | 178.5 | 69.7 | 0 | 0 | 0 | 0 | 110.8 | D11 | D11-S13 PolarHBondContact O-N 3.33Å; D11-S13 WeakPolarHBondContact OD1-CB 3.38Å; D11-S13 PolarHBondContact OD1-N 3.07Å; D11-S13 VanDerWaalsContact OD1-N 3.07Å; D11-S13 PolarHBondContact OD1-OG 3.44Å; D11-S13 WeakPolarHBondContact OD2-CB 3.42Å; D11-S13 PolarHBondContact OD2-OG 2.88Å |
| 14 | S | 79.3 | Confident | 82.6 | Confident | 99 Ų | 99 | 96.1 Ų | 96.1 | 69% | 0.692 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -76.5 | 147.5 | 171.7 | 62.9 | 0 | 0 | 0 | 0 | 109.8 | ||
| 15 | P | 86.3 | Confident | 83.4 | Confident | 32 Ų | 32 | 93.4 Ų | 93.4 | 21% | 0.208 | 53% | 0.529 | C | S | . | . | P | Polyproline II helix | trans | -52.4 | 143.8 | 171.3 | -23.3 | 32.3 | 0 | 0 | 0 | 111.1 | V112 L115 | P15-V112 HydrophobicContact CB-CG1 4.14Å; P15-V112 HydrophobicContact CG-CB 4.47Å; P15-V112 HydrophobicContact CG-CG1 3.97Å; P15-L115 HydrophobicContact CB-CG 4.39Å |
| 16 | P | 91.8 | Very high | 84 | Confident | 75 Ų | 75 | 92.9 Ų | 92.9 | 49% | 0.487 | 53% | 0.529 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 153.4 | 179.5 | 26.3 | -35.2 | 0 | 0 | 0 | 111.4 | S113 A114 L115 | P16-S113 WeakPolarHBondContact CD-O 3.47Å; P16-S113 VanDerWaalsContact CG-O 3.29Å; P16-S113 WeakPolarHBondContact CG-O 3.41Å; P16-A114 HydrophobicContact CG-CB 4.37Å; P16-A114 CarbonylContact O-C 3.59Å; P16-A114 VanDerWaalsContact O-CA 3.27Å; P16-A114 WeakPolarHBondContact O-CA 3.47Å; P16-A114 WeakPolarHBondContact O-CB 3.33Å; P16-L115 PolarHBondContact O-N 3.47Å |
| 17 | E | 92.4 | Very high | 84.5 | Confident | 96 Ų | 96 | 92.7 Ų | 92.7 | 45% | 0.449 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 124.1 | 173.1 | -172.4 | 165.5 | 155.6 | 0 | 0 | 110.1 | L115 K117 | E17-L115 CarbonylContact C-O 3.52Å; E17-L115 VanDerWaalsContact CA-O 3.3Å; E17-L115 WeakPolarHBondContact CA-O 3.44Å; E17-K117 WeakPolarHBondContact OE2-CD 3.48Å; E17-K117 WeakPolarHBondContact OE2-CE 3.45Å; E17-K117 IonicContact OE2-NZ 2.78Å; E17-K117 PolarHBondContact OE2-NZ 3.13Å |
| 18 | W | 96.1 | Very high | 85.1 | Confident | 130 Ų | 130 | 88.6 Ų | 88.6 | 49% | 0.492 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 151.4 | 174.4 | -73.4 | 6.9 | 0 | 0 | 0 | 110.9 | V73 A114 L115 I116 | W18-V73 HydrophobicContact CE3-CG1 4.47Å; W18-V73 HydrophobicContact CE3-CG2 3.97Å; W18-V73 HydrophobicContact CH2-CG1 4.49Å; W18-V73 HydrophobicContact CZ3-CB 4.45Å; W18-V73 HydrophobicContact CZ3-CG1 3.91Å; W18-V73 HydrophobicContact CZ3-CG2 4.23Å; W18-A114 HydrophobicContact CB-CB 4.03Å; W18-A114 HydrophobicContact CD2-CB 3.32Å; W18-A114 VanDerWaalsContact CE2-CB 3.48Å; W18-A114 HydrophobicContact CE3-CB 3.9Å; W18-A114 HydrophobicContact CG-CB 3.38Å; W18-A114 HydrophobicContact CZ2-CB 4.15Å; W18-L115 PolarHBondContact N-O 3.25Å; W18-I116 HydrophobicContact CB-CG1 4.01Å |
| 19 | L | 95.1 | Very high | 85.8 | Confident | 80 Ų | 80 | 87.7 Ų | 87.7 | 42% | 0.419 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 127.4 | 173.4 | -177.1 | 64.8 | 0 | 0 | 0 | 109.5 | R118 L120 | L19-R118 HydrophobicContact CD1-CB 3.95Å; L19-L120 HydrophobicContact CD1-CD2 4.33Å; L19-L120 HydrophobicContact CD1-CG 4.2Å; L19-L120 HydrophobicContact CD2-CD1 3.73Å; L19-L120 HydrophobicContact CD2-CD2 4.2Å; L19-L120 HydrophobicContact CD2-CG 3.76Å; L19-L120 HydrophobicContact CG-CG 4.12Å |
| 20 | L | 96.6 | Very high | 86 | Confident | 53 Ų | 53 | 95.3 Ų | 95.3 | 28% | 0.277 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 132.2 | 174.7 | 176.7 | 66.1 | 0 | 0 | 0 | 110.5 | F71 I116 R118 K119 L120 | L20-F71 HydrophobicContact CD2-CD2 4.31Å; L20-F71 HydrophobicContact CD2-CE2 4.09Å; L20-I116 HydrophobicContact CB-CD1 4.45Å; L20-I116 HydrophobicContact CB-CG2 3.61Å; L20-R118 PolarHBondContact N-O 3.21Å; L20-K119 HydrophobicContact CB-CB 3.87Å; L20-K119 HydrophobicContact CD2-CB 4.15Å; L20-K119 HydrophobicContact CD2-CD 4.38Å; L20-K119 HydrophobicContact CG-CB 4.16Å; L20-K119 CarbonylContact O-C 3.55Å; L20-K119 WeakPolarHBondContact O-CA 3.5Å; L20-K119 WeakPolarHBondContact O-CB 3.33Å; L20-L120 PolarHBondContact O-N 2.79Å |
| 21 | V | 95.5 | Very high | 86.6 | Confident | 66 Ų | 66 | 98.6 Ų | 98.6 | 40% | 0.4 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 120.1 | 170 | 178.3 | 0 | 0 | 0 | 0 | 108.4 | L23 L120 F122 | V21-L23 HydrophobicContact CG1-CD1 4.48Å; V21-L23 HydrophobicContact CG1-CD2 4.37Å; V21-L23 HydrophobicContact CG1-CG 4.19Å; V21-L120 HydrophobicContact CG2-CD1 4.41Å; V21-F122 HydrophobicContact CG1-CD2 4.19Å; V21-F122 HydrophobicContact CG1-CE2 3.97Å |
| 22 | E | 95.3 | Very high | 86.4 | Confident | 58 Ų | 58 | 100.5 Ų | 100.5 | 27% | 0.271 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 121.1 | 179.7 | -177.7 | -177.4 | 135 | 0 | 0 | 109.4 | K119 L120 I121 F122 K123 | E22-K119 IonicContact OE1-NZ 3.92Å; E22-K119 WeakPolarHBondContact OE2-CD 3.49Å; E22-K119 WeakPolarHBondContact OE2-CE 3.36Å; E22-K119 IonicContact OE2-NZ 2.63Å; E22-K119 PolarHBondContact OE2-NZ 3.38Å; E22-L120 PolarHBondContact N-O 2.83Å; E22-I121 HydrophobicContact CB-CG1 4.49Å; E22-F122 PolarHBondContact O-N 3.12Å; E22-K123 WeakPolarHBondContact OE1-CE 3.36Å; E22-K123 IonicContact OE1-NZ 3.74Å |
| 23 | L | 93.6 | Very high | 86.9 | Confident | 53 Ų | 53 | 99.7 Ų | 99.7 | 28% | 0.277 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 130.2 | -179 | -59.3 | 156.2 | 0 | 0 | 0 | 108.3 | V21 G25 M27 M40 L53 L60 F122 | V21-L23 HydrophobicContact CG1-CD1 4.48Å; V21-L23 HydrophobicContact CG1-CD2 4.37Å; V21-L23 HydrophobicContact CG1-CG 4.19Å; L23-G25 PolarHBondContact O-N 2.89Å; L23-M27 HydrophobicContact CD1-CG 4.01Å; L23-M27 HydrophobicContact CD1-SD 3.68Å; L23-M40 HydrophobicContact CD1-CE 3.59Å; L23-M40 HydrophobicContact CD2-CE 4.41Å; L23-L53 HydrophobicContact CD2-CD2 3.49Å; L23-L53 VanDerWaalsContact CD2-CD2 3.49Å; L23-L60 HydrophobicContact CD2-CD2 4.49Å; L23-F122 HydrophobicContact CD2-CB 4.02Å; L23-F122 HydrophobicContact CD2-CD2 3.89Å; L23-F122 HydrophobicContact CD2-CG 4.16Å |
| 24 | Q | 91.4 | Very high | 87.1 | Confident | 139 Ų | 139 | 100 Ų | 100 | 65% | 0.65 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -85.4 | 112.8 | 172.2 | -176.2 | 175.5 | -16.7 | 0 | 0 | 110.2 | F122 K123 | Q24-F122 PolarHBondContact N-O 3.17Å; Q24-K123 HydrophobicContact CB-CG 4.45Å; Q24-K123 PolarHBondContact OE1-O 2.84Å |
| 25 | G | 90.4 | Very high | 87.3 | Confident | 71 Ų | 71 | 99.3 Ų | 99.3 | 73% | 0.732 | 51% | 0.513 | S | S | * | . | S | Bend | trans | 126.9 | -157.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L23 | L23-G25 PolarHBondContact O-N 2.89Š|
| 26 | E | 88.3 | Confident | 87.4 | Confident | 166 Ų | 166 | 102.3 Ų | 102.3 | 78% | 0.776 | 54% | 0.54 | S | S | * | . | trans | -117.3 | 140.2 | -179.7 | -173.5 | 175.6 | -179.4 | 0 | 0 | 110.4 | M28 | E26-M28 HydrophobicContact CG-CG 4.28Š| ||
| 27 | M | 85.2 | Confident | 87 | Confident | 71 Ų | 71 | 103.1 Ų | 103.1 | 35% | 0.35 | 56% | 0.562 | S | S | . | * | trans | -92.1 | 121.1 | 169.6 | -83.9 | -167.9 | 58.9 | 0 | 0 | 110.1 | L23 L35 M40 | L23-M27 HydrophobicContact CD1-CG 4.01Å; L23-M27 HydrophobicContact CD1-SD 3.68Å; M27-L35 HydrophobicContact CB-CD1 3.83Å; M27-L35 HydrophobicContact CE-CD1 4.02Å; M27-L35 HydrophobicContact CE-CD2 4.05Å; M27-L35 HydrophobicContact SD-CD1 4.49Å; M27-M40 HydrophobicContact CE-CB 4.26Å; M27-M40 HydrophobicContact CE-CE 3.68Å; M27-M40 HydrophobicContact CE-CG 3.49Å; M27-M40 VanDerWaalsContact CE-CG 3.49Å; M27-M40 HydrophobicContact CE-SD 3.48Å; M27-M40 WeakPolarHBondContact CE-SD 3.43Å; M27-M40 HydrophobicContact CG-CE 4.24Å; M27-M40 HydrophobicContact SD-CE 3.33Å; M27-M40 WeakPolarHBondContact SD-CE 3.49Å; M27-M40 HydrophobicContact SD-CG 4.35Å; M27-M40 HydrophobicContact SD-SD 3.58Å | ||
| 28 | M | 84.1 | Confident | 86.7 | Confident | 157 Ų | 157 | 102.9 Ų | 102.9 | 77% | 0.773 | 56% | 0.564 | S | S | * | * | trans | -112.8 | 133.3 | 179.2 | -65.1 | -169.6 | -73.2 | 0 | 0 | 111.6 | E26 | E26-M28 HydrophobicContact CG-CG 4.28Š| ||
| 29 | S | 83.5 | Confident | 86.2 | Confident | 38 Ų | 38 | 103.1 Ų | 103.1 | 27% | 0.266 | 58% | 0.579 | S | S | . | * | trans | -80.4 | 137.5 | 166.2 | 174.7 | 0 | 0 | 0 | 0 | 110.2 | R31 N32 S33 | S29-R31 PolarHBondContact O-N 2.78Å; S29-R31 PolarHBondContact OG-N 2.9Å; S29-N32 PolarHBondContact O-N 2.84Å; S29-S33 WeakPolarHBondContact CB-O 3.45Å; S29-S33 PolarHBondContact OG-O 2.83Å; S29-S33 PolarHBondContact OG-OG 3.46Å | ||
| 30 | R | 76.2 | Confident | 85.8 | Confident | 224 Ų | 224 | 102.5 Ų | 102.5 | 85% | 0.845 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -28.4 | 177.3 | -169 | -179.9 | -65.7 | 176 | 2 | 112.8 | ||
| 31 | R | 77.9 | Confident | 85.5 | Confident | 225 Ų | 225 | 101.5 Ų | 101.5 | 85% | 0.849 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.1 | 12 | -175.4 | -64.4 | -169.2 | -179.8 | -164.1 | 1.2 | 113.4 | S29 S33 | S29-R31 PolarHBondContact O-N 2.78Å; S29-R31 PolarHBondContact OG-N 2.9Å; R31-S33 PolarHBondContact O-N 2.94Å |
| 32 | N | 71 | Confident | 85.4 | Confident | 157 Ų | 157 | 103.3 Ų | 103.3 | 84% | 0.84 | 59% | 0.585 | S | S | * | * | S | Bend | trans | 51 | 23.7 | -170.2 | -158.7 | 20.8 | 0 | 0 | 0 | 113.2 | S29 | S29-N32 PolarHBondContact O-N 2.84Š|
| 33 | S | 79.3 | Confident | 85.5 | Confident | 50 Ų | 50 | 104.2 Ų | 104.2 | 35% | 0.35 | 59% | 0.591 | S | S | . | * | trans | -82.4 | 153.1 | 171.1 | 61.6 | 0 | 0 | 0 | 0 | 108.9 | S29 R31 | S29-S33 WeakPolarHBondContact CB-O 3.45Å; S29-S33 PolarHBondContact OG-O 2.83Å; S29-S33 PolarHBondContact OG-OG 3.46Å; R31-S33 PolarHBondContact O-N 2.94Å | ||
| 34 | G | 80.7 | Confident | 85.5 | Confident | 59 Ų | 59 | 105.8 Ų | 105.8 | 61% | 0.608 | 60% | 0.599 | S | S | * | * | trans | -52.9 | 151.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A36 N38 | G34-A36 VanDerWaalsContact C-N 3.28Å; G34-A36 PolarHBondContact O-N 3.47Å; G34-N38 PolarHBondContact O-ND2 2.84Å | ||
| 35 | L | 83.6 | Confident | 85.7 | Confident | 86 Ų | 86 | 104.5 Ų | 104.5 | 45% | 0.45 | 59% | 0.589 | S | S | . | * | S | Bend | trans | -72.9 | -22.7 | 179.9 | -63 | 174 | 0 | 0 | 0 | 112.7 | M27 G37 N38 | M27-L35 HydrophobicContact CB-CD1 3.83Å; M27-L35 HydrophobicContact CE-CD1 4.02Å; M27-L35 HydrophobicContact CE-CD2 4.05Å; M27-L35 HydrophobicContact SD-CD1 4.49Å; L35-G37 PolarHBondContact O-N 2.55Å; L35-N38 PolarHBondContact O-N 2.63Å |
| 36 | A | 86.5 | Confident | 85.8 | Confident | 95 Ų | 95 | 103.2 Ų | 103.2 | 79% | 0.785 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | 135 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | G34 N38 | G34-A36 VanDerWaalsContact C-N 3.28Å; G34-A36 PolarHBondContact O-N 3.47Å; A36-N38 PolarHBondContact O-N 2.96Å |
| 37 | G | 85.2 | Confident | 86.1 | Confident | 91 Ų | 91 | 105.7 Ų | 105.7 | 94% | 0.938 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.6 | -8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | L35 | L35-G37 PolarHBondContact O-N 2.55Š|
| 38 | N | 85.3 | Confident | 86.3 | Confident | 91 Ų | 91 | 109.6 Ų | 109.6 | 49% | 0.487 | 59% | 0.593 | S | S | . | * | S | Bend | trans | -89.1 | 140.4 | 177.7 | -71.7 | -63.2 | 0 | 0 | 0 | 111.4 | G34 L35 A36 M40 | G34-N38 PolarHBondContact O-ND2 2.84Å; L35-N38 PolarHBondContact O-N 2.63Å; A36-N38 PolarHBondContact O-N 2.96Å; N38-M40 PolarHBondContact O-N 2.87Å; N38-M40 VanDerWaalsContact O-N 3.13Å |
| 39 | V | 86.4 | Confident | 86.7 | Confident | 135 Ų | 135 | 104 Ų | 104 | 82% | 0.818 | 58% | 0.575 | S | S | * | * | trans | -66.9 | 113.5 | 171.6 | 178.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 40 | M | 86.3 | Confident | 87.2 | Confident | 68 Ų | 68 | 106.1 Ų | 106.1 | 34% | 0.335 | 58% | 0.583 | S | S | . | * | trans | -73.7 | -40.2 | 177.8 | 175.3 | -176.6 | 175.1 | 0 | 0 | 111.7 | L23 M27 N38 L53 V55 | L23-M40 HydrophobicContact CD1-CE 3.59Å; L23-M40 HydrophobicContact CD2-CE 4.41Å; M27-M40 HydrophobicContact CE-CB 4.26Å; M27-M40 HydrophobicContact CE-CE 3.68Å; M27-M40 HydrophobicContact CE-CG 3.49Å; M27-M40 VanDerWaalsContact CE-CG 3.49Å; M27-M40 HydrophobicContact CE-SD 3.48Å; M27-M40 WeakPolarHBondContact CE-SD 3.43Å; M27-M40 HydrophobicContact CG-CE 4.24Å; M27-M40 HydrophobicContact SD-CE 3.33Å; M27-M40 WeakPolarHBondContact SD-CE 3.49Å; M27-M40 HydrophobicContact SD-CG 4.35Å; M27-M40 HydrophobicContact SD-SD 3.58Å; N38-M40 PolarHBondContact O-N 2.87Å; N38-M40 VanDerWaalsContact O-N 3.13Å; M40-L53 HydrophobicContact CE-CD2 3.91Å; M40-V55 HydrophobicContact CE-CG2 3.68Å; M40-V55 HydrophobicContact CG-CG2 4.38Å | ||
| 41 | G | 90.8 | Very high | 88.2 | Confident | 32 Ų | 32 | 95.4 Ų | 95.4 | 33% | 0.33 | 54% | 0.543 | S | S | . | . | trans | 154.2 | -169.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | I54 | G41-I54 CarbonylContact C-O 3.49Å; G41-I54 WeakPolarHBondContact CA-O 3.32Å | ||
| 42 | D | 93.6 | Very high | 89.1 | Confident | 103 Ų | 103 | 85.3 Ų | 85.3 | 55% | 0.551 | 51% | 0.506 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 131.8 | -174.8 | -59.1 | -52.8 | 0 | 0 | 0 | 111.3 | L44 L53 I54 | D42-L44 HydrophobicContact CB-CD1 3.95Å; D42-L53 CarbonylContact O-C 3.46Å; D42-L53 WeakPolarHBondContact O-CA 3.49Å; D42-I54 HydrophobicContact CB-CB 4.37Å; D42-I54 PolarHBondContact N-O 2.94Å; D42-I54 PolarHBondContact O-N 3.47Å |
| 43 | L | 95.5 | Very high | 90.2 | Very high | 77 Ų | 77 | 78.3 Ų | 78.3 | 40% | 0.403 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 118.4 | 172.7 | 178.3 | 66.3 | 0 | 0 | 0 | 109.4 | P51 L53 L120 F122 | L43-P51 HydrophobicContact CD1-CB 4.17Å; L43-L53 HydrophobicContact CB-CD1 4.17Å; L43-L53 HydrophobicContact CD1-CB 4.28Å; L43-L53 HydrophobicContact CD1-CD1 4.32Å; L43-L120 HydrophobicContact CD1-CD1 4.12Å; L43-L120 HydrophobicContact CD2-CD1 3.61Å; L43-L120 HydrophobicContact CG-CD1 4.48Å; L43-F122 HydrophobicContact CD1-CZ 3.79Å |
| 44 | L | 95.3 | Very high | 91 | Very high | 86 Ų | 86 | 78 Ų | 78 | 45% | 0.45 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 161.6 | 180 | -56.5 | 103.3 | 0 | 0 | 0 | 110.7 | D42 P51 V52 I54 | D42-L44 HydrophobicContact CB-CD1 3.95Å; L44-P51 CarbonylContact O-C 3.57Å; L44-P51 WeakPolarHBondContact O-CA 2.94Å; L44-V52 PolarHBondContact N-O 2.81Å; L44-V52 PolarHBondContact O-N 2.85Å; L44-I54 HydrophobicContact CD1-CD1 3.69Å; L44-I54 HydrophobicContact CD1-CG1 4.18Å |
| 45 | Y | 95.3 | Very high | 91.5 | Very high | 112 Ų | 112 | 77.1 Ų | 77.1 | 44% | 0.439 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 135 | 170.3 | -76.9 | -95.8 | 0 | 0 | 0 | 109.7 | G49 L50 P51 | Y45-G49 WeakPolarHBondContact CD1-O 3.4Å; Y45-L50 WeakPolarHBondContact CA-O 3.27Å; Y45-P51 HydrophobicContact CD1-CB 4.45Å; Y45-P51 HydrophobicContact CE1-CB 4.05Å |
| 46 | T | 93 | Very high | 91.7 | Very high | 44 Ų | 44 | 75.6 Ų | 75.6 | 27% | 0.27 | 45% | 0.451 | S | S | . | . | trans | -69.8 | 169.6 | 170.1 | 74.5 | 0 | 0 | 0 | 0 | 110.7 | E48 G49 L50 V52 | T46-E48 WeakPolarHBondContact CB-OE2 3.48Å; T46-E48 PolarHBondContact O-N 2.98Å; T46-E48 PolarHBondContact OG1-N 2.73Å; T46-E48 PolarHBondContact OG1-OE2 3.23Å; T46-G49 WeakPolarHBondContact O-CA 3.3Å; T46-G49 PolarHBondContact O-N 2.91Å; T46-L50 HydrophobicContact CG2-CB 4.3Å; T46-L50 PolarHBondContact N-O 3.29Å; T46-L50 PolarHBondContact OG1-N 2.79Å; T46-V52 HydrophobicContact CG2-CG2 3.62Å | ||
| 47 | K | 92.7 | Very high | 91.8 | Very high | 218 Ų | 218 | 77.7 Ų | 77.7 | 95% | 0.948 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -26.7 | 173 | -65 | -175.6 | 179.4 | -179.8 | 0 | 112.5 | G49 | K47-G49 PolarHBondContact O-N 2.81Š|
| 48 | E | 91.4 | Very high | 92.1 | Very high | 154 Ų | 154 | 77.6 Ų | 77.6 | 72% | 0.72 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | 2.8 | 173 | -47.5 | 93.1 | -171.8 | 0 | 0 | 113.4 | T46 | T46-E48 WeakPolarHBondContact CB-OE2 3.48Å; T46-E48 PolarHBondContact O-N 2.98Å; T46-E48 PolarHBondContact OG1-N 2.73Å; T46-E48 PolarHBondContact OG1-OE2 3.23Å |
| 49 | G | 91.4 | Very high | 92.5 | Very high | 39 Ų | 39 | 74.8 Ų | 74.8 | 40% | 0.402 | 40% | 0.403 | S | S | . | . | trans | 77.8 | 18.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y45 T46 K47 | Y45-G49 WeakPolarHBondContact CD1-O 3.4Å; T46-G49 WeakPolarHBondContact O-CA 3.3Å; T46-G49 PolarHBondContact O-N 2.91Å; K47-G49 PolarHBondContact O-N 2.81Å | ||
| 50 | L | 93.8 | Very high | 93 | Very high | 82 Ų | 82 | 69 Ų | 69 | 43% | 0.429 | 37% | 0.368 | S | S | . | . | trans | -85 | 131.3 | 175.7 | -63 | 176.9 | 0 | 0 | 0 | 110.5 | Y45 T46 | Y45-L50 WeakPolarHBondContact CA-O 3.27Å; T46-L50 HydrophobicContact CG2-CB 4.3Å; T46-L50 PolarHBondContact N-O 3.29Å; T46-L50 PolarHBondContact OG1-N 2.79Å | ||
| 51 | P | 97.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 134.6 | 178.7 | 31.6 | -36.1 | 0 | 0 | 0 | 110.9 | L43 L44 Y45 G62 L120 F122 | L43-P51 HydrophobicContact CD1-CB 4.17Å; L44-P51 CarbonylContact O-C 3.57Å; L44-P51 WeakPolarHBondContact O-CA 2.94Å; Y45-P51 HydrophobicContact CD1-CB 4.45Å; Y45-P51 HydrophobicContact CE1-CB 4.05Å; P51-G62 WeakPolarHBondContact CD-O 3.44Å; P51-G62 WeakPolarHBondContact O-CA 3.43Å; P51-G62 PolarHBondContact O-N 2.89Å; P51-L120 HydrophobicContact CB-CD1 4.17Å; P51-L120 HydrophobicContact CB-CD2 4.25Å; P51-L120 HydrophobicContact CG-CD2 4.12Å; P51-F122 HydrophobicContact CB-CE1 4.36Å; P51-F122 HydrophobicContact CB-CZ 4.01Å; P51-F122 HydrophobicContact CG-CZ 4.37Å |
| 52 | V | 96.2 | Very high | 93.6 | Very high | 13 Ų | 13 | 70.2 Ų | 70.2 | 8% | 0.079 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 121.9 | 176.9 | -179.4 | 0 | 0 | 0 | 0 | 107.9 | L44 T46 I59 L60 Y61 | L44-V52 PolarHBondContact N-O 2.81Å; L44-V52 PolarHBondContact O-N 2.85Å; T46-V52 HydrophobicContact CG2-CG2 3.62Å; V52-I59 HydrophobicContact CG1-CD1 3.63Å; V52-I59 HydrophobicContact CG1-CG1 3.62Å; V52-L60 WeakPolarHBondContact CA-O 3.2Å; V52-Y61 HydrophobicContact CG1-CE1 4.43Å; V52-Y61 HydrophobicContact CG2-CD1 3.89Å; V52-Y61 HydrophobicContact CG2-CE1 4.05Å |
| 53 | L | 95.8 | Very high | 93.7 | Very high | 10 Ų | 10 | 71.6 Ų | 71.6 | 5% | 0.052 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 127.1 | -178.6 | -180 | 70.7 | 0 | 0 | 0 | 109.8 | L23 M40 D42 L43 V55 L60 F122 | L23-L53 HydrophobicContact CD2-CD2 3.49Å; L23-L53 VanDerWaalsContact CD2-CD2 3.49Å; M40-L53 HydrophobicContact CE-CD2 3.91Å; D42-L53 CarbonylContact O-C 3.46Å; D42-L53 WeakPolarHBondContact O-CA 3.49Å; L43-L53 HydrophobicContact CB-CD1 4.17Å; L43-L53 HydrophobicContact CD1-CB 4.28Å; L43-L53 HydrophobicContact CD1-CD1 4.32Å; L53-V55 HydrophobicContact CD1-CG2 4.37Å; L53-V55 HydrophobicContact CD2-CG2 3.93Å; L53-V55 HydrophobicContact CG-CG2 3.8Å; L53-L60 HydrophobicContact CB-CB 4.39Å; L53-L60 PolarHBondContact N-O 3.26Å; L53-L60 PolarHBondContact O-N 3.26Å; L53-F122 HydrophobicContact CB-CD1 3.98Å; L53-F122 HydrophobicContact CB-CE1 3.44Å; L53-F122 VanDerWaalsContact CB-CE1 3.44Å; L53-F122 HydrophobicContact CB-CE2 4.28Å; L53-F122 HydrophobicContact CB-CZ 3.61Å; L53-F122 HydrophobicContact CD2-CD2 4.31Å; L53-F122 HydrophobicContact CD2-CE2 4.23Å; L53-F122 HydrophobicContact CD2-CZ 4.38Å |
| 54 | I | 94.4 | Very high | 93.7 | Very high | 44 Ų | 44 | 71.6 Ų | 71.6 | 23% | 0.226 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 117.2 | 177.7 | -61.4 | 175 | 0 | 0 | 0 | 108 | G41 D42 L44 H58 I59 I129 | G41-I54 CarbonylContact C-O 3.49Å; G41-I54 WeakPolarHBondContact CA-O 3.32Å; D42-I54 HydrophobicContact CB-CB 4.37Å; D42-I54 PolarHBondContact N-O 2.94Å; D42-I54 PolarHBondContact O-N 3.47Å; L44-I54 HydrophobicContact CD1-CD1 3.69Å; L44-I54 HydrophobicContact CD1-CG1 4.18Å; I54-H58 CarbonylContact C-O 3.6Å; I54-H58 WeakPolarHBondContact CA-O 3.43Å; I54-I59 HydrophobicContact CG1-CG1 4.43Å; I54-I129 HydrophobicContact CG2-CD1 3.84Å |
| 55 | V | 91.8 | Very high | 93.8 | Very high | 39 Ų | 39 | 69.7 Ų | 69.7 | 24% | 0.236 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 107.4 | 179.5 | -177.3 | 0 | 0 | 0 | 0 | 108.8 | M40 L53 H57 H58 L60 | M40-V55 HydrophobicContact CE-CG2 3.68Å; M40-V55 HydrophobicContact CG-CG2 4.38Å; L53-V55 HydrophobicContact CD1-CG2 4.37Å; L53-V55 HydrophobicContact CD2-CG2 3.93Å; L53-V55 HydrophobicContact CG-CG2 3.8Å; V55-H57 PolarHBondContact O-N 2.79Å; V55-H57 VanDerWaalsContact O-N 3.16Å; V55-H58 PolarHBondContact N-O 3.42Å; V55-H58 WeakPolarHBondContact O-CB 3.49Å; V55-H58 PolarHBondContact O-N 3.05Å; V55-L60 HydrophobicContact CG2-CD1 4.22Å |
| 56 | G | 87.9 | Confident | 93.9 | Very high | 55 Ų | 55 | 72.4 Ų | 72.4 | 57% | 0.567 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | -117.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 57 | H | 89 | Confident | 94 | Very high | 138 Ų | 138 | 71.3 Ų | 71.3 | 64% | 0.639 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | 10.4 | 178.1 | -56.6 | 112 | 0 | 0 | 0 | 113.9 | V55 I129 | V55-H57 PolarHBondContact O-N 2.79Å; V55-H57 VanDerWaalsContact O-N 3.16Å; H57-I129 PolarHBondContact O-N 3.5Å |
| 58 | H | 91.1 | Very high | 94.1 | Very high | 90 Ų | 90 | 70.2 Ų | 70.2 | 42% | 0.417 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 141 | -177.5 | -60.7 | 110.9 | 0 | 0 | 0 | 111.9 | I54 V55 L60 P126 K127 | I54-H58 CarbonylContact C-O 3.6Å; I54-H58 WeakPolarHBondContact CA-O 3.43Å; V55-H58 PolarHBondContact N-O 3.42Å; V55-H58 WeakPolarHBondContact O-CB 3.49Å; V55-H58 PolarHBondContact O-N 3.05Å; H58-L60 HydrophobicContact CB-CD1 4.36Å; H58-P126 HydrophobicContact CB-CB 3.79Å; H58-K127 CarbonylContact C-O 3.57Å; H58-K127 VanDerWaalsContact CA-O 3.32Å; H58-K127 WeakPolarHBondContact CA-O 3.12Å |
| 59 | I | 94.8 | Very high | 94.2 | Very high | 31 Ų | 31 | 70.9 Ų | 70.9 | 16% | 0.159 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 130.6 | 168 | -174.4 | 169.1 | 0 | 0 | 0 | 109.6 | V52 I54 Y61 K127 I129 | V52-I59 HydrophobicContact CG1-CD1 3.63Å; V52-I59 HydrophobicContact CG1-CG1 3.62Å; I54-I59 HydrophobicContact CG1-CG1 4.43Å; I59-Y61 HydrophobicContact CD1-CE1 4.42Å; I59-Y61 HydrophobicContact CD1-CE2 4.04Å; I59-Y61 WeakPolarHBondContact CD1-OH 3.35Å; I59-Y61 HydrophobicContact CG1-CE2 4.01Å; I59-Y61 HydrophobicContact CG2-CE2 4.24Å; I59-K127 HydrophobicContact CG2-CB 3.79Å; I59-K127 WeakPolarHBondContact CG2-O 3.03Å; I59-K127 PolarHBondContact N-O 3.4Å; I59-K127 PolarHBondContact O-N 2.9Å; I59-I129 HydrophobicContact CB-CD1 4.44Å; I59-I129 HydrophobicContact CB-CG1 4.1Å; I59-I129 HydrophobicContact CG2-CG1 4.18Å |
| 60 | L | 95.2 | Very high | 94.3 | Very high | 14 Ų | 14 | 72.7 Ų | 72.7 | 7% | 0.073 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 127.4 | 177.2 | -60.8 | 92.3 | 0 | 0 | 0 | 109.1 | L23 V52 L53 V55 H58 F122 P126 | L23-L60 HydrophobicContact CD2-CD2 4.49Å; V52-L60 WeakPolarHBondContact CA-O 3.2Å; L53-L60 HydrophobicContact CB-CB 4.39Å; L53-L60 PolarHBondContact N-O 3.26Å; L53-L60 PolarHBondContact O-N 3.26Å; V55-L60 HydrophobicContact CG2-CD1 4.22Å; H58-L60 HydrophobicContact CB-CD1 4.36Å; L60-F122 HydrophobicContact CB-CB 4.29Å; L60-F122 HydrophobicContact CB-CD1 3.79Å; L60-F122 HydrophobicContact CB-CG 4.36Å; L60-F122 HydrophobicContact CD2-CB 4.11Å; L60-P126 HydrophobicContact CD1-CB 4.45Å; L60-P126 HydrophobicContact CD2-CG 4.09Å; L60-P126 HydrophobicContact CG-CB 4.2Å; L60-P126 HydrophobicContact CG-CG 4.33Å |
| 61 | Y | 95 | Very high | 94.2 | Very high | 113 Ų | 113 | 73.7 Ų | 73.7 | 44% | 0.443 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 123.7 | 173.4 | -65.9 | -89.9 | 0 | 0 | 0 | 108.6 | V52 I59 T124 K127 | V52-Y61 HydrophobicContact CG1-CE1 4.43Å; V52-Y61 HydrophobicContact CG2-CD1 3.89Å; V52-Y61 HydrophobicContact CG2-CE1 4.05Å; I59-Y61 HydrophobicContact CD1-CE1 4.42Å; I59-Y61 HydrophobicContact CD1-CE2 4.04Å; I59-Y61 WeakPolarHBondContact CD1-OH 3.35Å; I59-Y61 HydrophobicContact CG1-CE2 4.01Å; I59-Y61 HydrophobicContact CG2-CE2 4.24Å; Y61-T124 PolarHBondContact O-OG1 3.28Å; Y61-T124 VanDerWaalsContact O-OG1 3.07Å; Y61-K127 HydrophobicContact CE2-CD 4.34Å |
| 62 | G | 96 | Very high | 94 | Very high | 12 Ų | 12 | 76 Ų | 76 | 12% | 0.124 | 38% | 0.384 | C | S | . | . | trans | -115.3 | -177.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | P51 I121 F122 | P51-G62 WeakPolarHBondContact CD-O 3.44Å; P51-G62 WeakPolarHBondContact O-CA 3.43Å; P51-G62 PolarHBondContact O-N 2.89Å; G62-I121 CarbonylContact C-O 3.59Å; G62-I121 WeakPolarHBondContact CA-O 3.12Å; G62-F122 VanDerWaalsContact CA-CD1 3.43Å | ||
| 63 | K | 95.7 | Very high | 93.9 | Very high | 133 Ų | 133 | 77.1 Ų | 77.1 | 58% | 0.578 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 141.6 | 173.4 | -178.9 | 176.4 | 178.6 | 178.4 | 0 | 109.8 | V65 I121 | K63-V65 HydrophobicContact CD-CG2 4.39Å; K63-V65 HydrophobicContact CG-CG2 4.23Å; K63-I121 PolarHBondContact N-O 3.18Å; K63-I121 PolarHBondContact O-N 3.28Å |
| 64 | Q | 95.8 | Very high | 93.7 | Very high | 77 Ų | 77 | 80.6 Ų | 80.6 | 36% | 0.36 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 132.5 | 168.6 | -173.2 | 173.9 | -72.3 | 0 | 0 | 110.5 | K119 L120 | Q64-K119 WeakPolarHBondContact CA-O 3.38Å; Q64-L120 HydrophobicContact CB-CD2 3.83Å; Q64-L120 HydrophobicContact CG-CD2 3.89Å |
| 65 | V | 96.4 | Very high | 93.6 | Very high | 46 Ų | 46 | 81.3 Ų | 81.3 | 28% | 0.279 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 130.6 | -179.9 | 179.9 | 0 | 0 | 0 | 0 | 109.6 | K63 R118 K119 I121 | K63-V65 HydrophobicContact CD-CG2 4.39Å; K63-V65 HydrophobicContact CG-CG2 4.23Å; V65-R118 CarbonylContact O-C 3.59Å; V65-R118 WeakPolarHBondContact O-CA 3.29Å; V65-K119 HydrophobicContact CB-CG 4.28Å; V65-K119 PolarHBondContact N-O 3.07Å; V65-K119 PolarHBondContact O-N 3.06Å; V65-I121 HydrophobicContact CB-CD1 4.03Å; V65-I121 HydrophobicContact CG2-CD1 3.6Å; V65-I121 HydrophobicContact CG2-CG1 4.36Å |
| 66 | K | 96.8 | Very high | 93.7 | Very high | 168 Ų | 168 | 84.9 Ų | 84.9 | 73% | 0.73 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 131.3 | 169.2 | -174.1 | -179.7 | 177.9 | -175.9 | 0 | 108.8 | ||
| 67 | L | 95.9 | Very high | 93.7 | Very high | 21 Ų | 21 | 86.1 Ų | 86.1 | 11% | 0.11 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 128.8 | 177.9 | -63.6 | 173.5 | 0 | 0 | 0 | 109.6 | K69 F71 I116 K117 K119 | L67-K69 VanDerWaalsContact C-N 3.26Å; L67-F71 HydrophobicContact CD1-CD2 3.9Å; L67-F71 HydrophobicContact CD1-CE2 3.94Å; L67-F71 HydrophobicContact CD1-CG 4.47Å; L67-I116 HydrophobicContact CD1-CG2 3.84Å; L67-K117 WeakPolarHBondContact CB-O 3.5Å; L67-K117 PolarHBondContact N-O 2.92Å; L67-K119 HydrophobicContact CD2-CD 3.85Å; L67-K119 HydrophobicContact CD2-CG 3.91Å |
| 68 | E | 94.8 | Very high | 93.6 | Very high | 195 Ų | 195 | 83.4 Ų | 83.4 | 91% | 0.911 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.2 | -35.4 | 171.1 | -66.3 | -179.6 | 177.1 | 0 | 0 | 111.3 | ||
| 69 | K | 92.6 | Very high | 92.6 | Very high | 169 Ų | 169 | 81.2 Ų | 81.2 | 74% | 0.735 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 101.1 | 175.4 | -64.3 | -178.8 | -177.1 | 175.9 | 0 | 108.5 | L67 | L67-K69 VanDerWaalsContact C-N 3.26Å |
| 70 | P | 93.4 | Very high | 90.8 | Very high | 77 Ų | 77 | 87.5 Ų | 87.5 | 50% | 0.5 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 152 | 176.3 | -24.7 | 34.9 | 0 | 0 | 0 | 112 | I116 K117 | P70-I116 CarbonylContact C-O 3.43Å; P70-I116 WeakPolarHBondContact CA-O 3.49Å; P70-I116 WeakPolarHBondContact CB-O 3.49Å; P70-K117 HydrophobicContact CB-CG 4.23Å; P70-K117 HydrophobicContact CG-CG 4.41Å |
| 71 | F | 93.3 | Very high | 88.8 | Confident | 103 Ų | 103 | 91.4 Ų | 91.4 | 45% | 0.452 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 145 | 173.3 | -53.4 | -41.3 | 0 | 0 | 0 | 110.8 | L20 L67 L115 I116 | L20-F71 HydrophobicContact CD2-CD2 4.31Å; L20-F71 HydrophobicContact CD2-CE2 4.09Å; L67-F71 HydrophobicContact CD1-CD2 3.9Å; L67-F71 HydrophobicContact CD1-CE2 3.94Å; L67-F71 HydrophobicContact CD1-CG 4.47Å; F71-L115 CarbonylContact O-C 3.59Å; F71-L115 WeakPolarHBondContact O-CA 3.47Å; F71-I116 HydrophobicContact CB-CB 4.18Å; F71-I116 PolarHBondContact N-O 2.85Å; F71-I116 PolarHBondContact O-N 3.48Å |
| 72 | A | 92.4 | Very high | 86.9 | Confident | 47 Ų | 47 | 95 Ų | 95 | 39% | 0.388 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 131 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | L74 V112 L115 | A72-L74 HydrophobicContact CB-CD2 4.38Å; A72-V112 HydrophobicContact CB-CG1 4.48Å; A72-L115 HydrophobicContact CB-CD2 4.01Å |
| 73 | V | 93.9 | Very high | 84.6 | Confident | 37 Ų | 37 | 100.9 Ų | 100.9 | 22% | 0.224 | 52% | 0.523 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 119.7 | 171.9 | -176.8 | 0 | 0 | 0 | 0 | 107.4 | W18 V112 S113 A114 I116 | W18-V73 HydrophobicContact CE3-CG1 4.47Å; W18-V73 HydrophobicContact CE3-CG2 3.97Å; W18-V73 HydrophobicContact CH2-CG1 4.49Å; W18-V73 HydrophobicContact CZ3-CB 4.45Å; W18-V73 HydrophobicContact CZ3-CG1 3.91Å; W18-V73 HydrophobicContact CZ3-CG2 4.23Å; V73-V112 CarbonylContact O-C 3.56Å; V73-V112 WeakPolarHBondContact O-CA 3.45Å; V73-S113 PolarHBondContact O-N 2.86Å; V73-A114 HydrophobicContact CB-CB 4.22Å; V73-A114 HydrophobicContact CG2-CB 4.15Å; V73-A114 PolarHBondContact N-O 2.93Å; V73-I116 HydrophobicContact CG2-CD1 3.62Å; V73-I116 HydrophobicContact CG2-CG1 4Å |
| 74 | L | 92.4 | Very high | 82 | Confident | 84 Ų | 84 | 100.6 Ų | 100.6 | 44% | 0.44 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 128.7 | -179.5 | -56.5 | -179 | 0 | 0 | 0 | 109.8 | A72 Y110 S111 V112 | A72-L74 HydrophobicContact CB-CD2 4.38Å; L74-Y110 HydrophobicContact CB-CD1 4.39Å; L74-S111 CarbonylContact C-O 3.58Å; L74-S111 WeakPolarHBondContact CA-O 3.29Å; L74-V112 HydrophobicContact CD2-CB 4.46Å; L74-V112 HydrophobicContact CD2-CG2 3.74Å |
| 75 | T | 92.4 | Very high | 79.6 | Confident | 59 Ų | 59 | 105.4 Ų | 105.4 | 36% | 0.362 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.5 | 122.2 | 168.7 | -66.3 | 0 | 0 | 0 | 0 | 108.7 | Y110 S111 S113 | T75-Y110 CarbonylContact O-C 3.56Å; T75-Y110 VanDerWaalsContact O-CA 3.29Å; T75-Y110 WeakPolarHBondContact O-CA 3.05Å; T75-S111 PolarHBondContact N-O 2.87Å; T75-S111 PolarHBondContact O-N 2.89Å; T75-S113 WeakPolarHBondContact CB-OG 3.34Å; T75-S113 PolarHBondContact OG1-OG 2.81Å |
| 76 | K | 92.2 | Very high | 77.3 | Confident | 113 Ų | 113 | 107.3 Ų | 107.3 | 49% | 0.491 | 58% | 0.581 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81 | 132.8 | 175.6 | -174.8 | -179.2 | 177.7 | -175.7 | 0 | 109.7 | T108 Y110 | K76-T108 HydrophobicContact CD-CG2 4.27Å; K76-T108 VanDerWaalsContact CE-CG2 3.42Å; K76-T108 HydrophobicContact CG-CG2 3.99Å; K76-Y110 HydrophobicContact CB-CD1 3.82Å; K76-Y110 HydrophobicContact CB-CE1 3.51Å; K76-Y110 HydrophobicContact CD-CE1 4.02Å; K76-Y110 HydrophobicContact CG-CD1 4.15Å; K76-Y110 HydrophobicContact CG-CE1 3.55Å |
| 77 | H | 89.5 | Confident | 74.9 | Confident | 81 Ų | 81 | 104.2 Ų | 104.2 | 38% | 0.375 | 59% | 0.587 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.2 | 114.6 | 170.9 | -56.1 | -76 | 0 | 0 | 0 | 108.3 | S109 S111 | H77-S109 WeakPolarHBondContact CB-OG 3.47Å; H77-S109 PolarHBondContact N-O 2.85Å; H77-S109 PolarHBondContact O-N 3.46Å; H77-S111 PolarHBondContact NE2-OG 3.16Å |
| 78 | S | 86.9 | Confident | 72.6 | Confident | 82 Ų | 82 | 106.9 Ų | 106.9 | 57% | 0.573 | 62% | 0.619 | S | S | * | * | trans | -89.4 | 121.8 | 171.2 | -57.6 | 0 | 0 | 0 | 0 | 107.6 | H80 | S78-H80 PolarHBondContact O-N 2.67Š| ||
| 79 | G | 68.8 | Low | 70 | Confident | 43 Ų | 43 | 105.2 Ų | 105.2 | 44% | 0.443 | 62% | 0.617 | S | S | . | * | trans | -72.5 | 57.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 80 | H | 57 | Low | 68.1 | Low | 164 Ų | 164 | 105.1 Ų | 105.1 | 76% | 0.759 | 62% | 0.623 | S | S | * | * | trans | -98.8 | 111.3 | 168.2 | -148 | 62.6 | 0 | 0 | 0 | 107.4 | S78 Q82 | S78-H80 PolarHBondContact O-N 2.67Å; H80-Q82 PolarHBondContact O-N 2.88Å | ||
| 81 | S | 53.3 | Low | 66 | Low | 95 Ų | 95 | 105.9 Ų | 105.9 | 66% | 0.664 | 64% | 0.636 | S | S | * | * | trans | -49.3 | 110.3 | 172.3 | 42.4 | 0 | 0 | 0 | 0 | 110 | D83 | S81-D83 PolarHBondContact O-N 2.85Š| ||
| 82 | Q | 55.8 | Low | 64.1 | Low | 190 Ų | 190 | 109.7 Ų | 109.7 | 89% | 0.888 | 66% | 0.657 | S | S | * | * | trans | -72.1 | 99.5 | 157.4 | -87.5 | -177.6 | -5.6 | 0 | 0 | 106.7 | H80 | H80-Q82 PolarHBondContact O-N 2.88Š| ||
| 83 | D | 46.3 | Very low | 62 | Low | 135 Ų | 135 | 117 Ų | 117 | 72% | 0.722 | 68% | 0.683 | S | S | * | * | trans | -135.5 | 116.8 | 159 | -82.8 | -40.2 | 0 | 0 | 0 | 109.3 | S81 | S81-D83 PolarHBondContact O-N 2.85Š| ||
| 84 | T | 42.5 | Very low | 59.7 | Low | 126 Ų | 126 | 120.8 Ų | 120.8 | 77% | 0.773 | 71% | 0.706 | S | S | * | * | trans | 70.5 | 104 | 151.5 | 60.8 | 0 | 0 | 0 | 0 | 120.8 | A86 | T84-A86 PolarHBondContact O-N 2.77Š| ||
| 85 | D | 45.9 | Very low | 58.1 | Low | 178 Ų | 178 | 124.8 Ų | 124.8 | 95% | 0.952 | 73% | 0.728 | S | S | * | * | trans | -63 | 101.8 | 139.5 | -74.1 | -48.4 | 0 | 0 | 0 | 109.4 | ||||
| 86 | A | 47 | Very low | 55.8 | Low | 86 Ų | 86 | 130.4 Ų | 130.4 | 71% | 0.711 | 75% | 0.751 | S | S | * | * | trans | -164.1 | 112 | 151.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | T84 | T84-A86 PolarHBondContact O-N 2.77Š| ||
| 87 | A | 46.8 | Very low | 53.9 | Low | 104 Ų | 104 | 135.1 Ų | 135.1 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | trans | 43.8 | 103.6 | 153.5 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 88 | G | 47.4 | Very low | 51.5 | Low | 76 Ų | 76 | 133.7 Ų | 133.7 | 78% | 0.784 | 78% | 0.782 | S | S | * | * | trans | 37.3 | 113.4 | 140.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 89 | D | 40.1 | Very low | 49.9 | Very low | 161 Ų | 161 | 136.5 Ų | 136.5 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | trans | -152.6 | 135.1 | 134 | -131.5 | -38.4 | 0 | 0 | 0 | 111 | A91 | D89-A91 PolarHBondContact O-N 2.68Š| ||
| 90 | I | 52.6 | Low | 48.4 | Very low | 166 Ų | 166 | 139.3 Ų | 139.3 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | trans | -85.9 | 107.3 | 176.6 | -64.7 | 167 | 0 | 0 | 0 | 106 | ||||
| 91 | A | 48.7 | Very low | 48.1 | Very low | 94 Ų | 94 | 137.4 Ų | 137.4 | 78% | 0.777 | 82% | 0.816 | S | S | * | * | trans | -110 | 106.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | D89 | D89-A91 PolarHBondContact O-N 2.68Š| ||
| 92 | M | 53.7 | Low | 47.8 | Very low | 183 Ų | 183 | 137.5 Ų | 137.5 | 90% | 0.901 | 82% | 0.817 | S | S | * | * | trans | -58.9 | 127.7 | 173.7 | -138.7 | 178.1 | -149.6 | 0 | 0 | 110.3 | T94 | M92-T94 PolarHBondContact O-N 2.81Š| ||
| 93 | E | 48.6 | Very low | 47.4 | Very low | 199 Ų | 199 | 133.6 Ų | 133.6 | 93% | 0.93 | 81% | 0.81 | S | S | * | * | trans | -71.5 | 119.4 | 166.8 | -78 | -171.9 | 148.1 | 0 | 0 | 109.1 | ||||
| 94 | T | 46.7 | Very low | 47.9 | Very low | 117 Ų | 117 | 132.7 Ų | 132.7 | 72% | 0.718 | 82% | 0.815 | S | S | * | * | trans | -111.1 | 119.8 | 164.9 | 175.6 | 0 | 0 | 0 | 0 | 108.1 | M92 Q96 | M92-T94 PolarHBondContact O-N 2.81Å; T94-Q96 PolarHBondContact O-N 2.81Å | ||
| 95 | D | 57.3 | Low | 48.7 | Very low | 168 Ų | 168 | 131.5 Ų | 131.5 | 90% | 0.898 | 81% | 0.811 | S | S | * | * | trans | -61.1 | 109.5 | 178.2 | -82.5 | -47.9 | 0 | 0 | 0 | 110.9 | ||||
| 96 | Q | 44.5 | Very low | 49.7 | Very low | 178 Ų | 178 | 126.5 Ų | 126.5 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | -134.1 | 113.6 | 160.2 | -75.3 | -168.9 | 63.9 | 0 | 0 | 111.3 | T94 | T94-Q96 PolarHBondContact O-N 2.81Š| ||
| 97 | Q | 51.9 | Low | 51.2 | Low | 211 Ų | 211 | 126.8 Ų | 126.8 | 99% | 0.986 | 79% | 0.787 | S | S | * | * | trans | -64.7 | 123.4 | 173 | -90.5 | 155.5 | -12.4 | 0 | 0 | 112.3 | ||||
| 98 | G | 39.8 | Very low | 53.2 | Low | 52 Ų | 52 | 125.1 Ų | 125.1 | 54% | 0.536 | 77% | 0.766 | S | S | . | * | trans | -158.5 | 145.1 | 160.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | S100 | G98-S100 PolarHBondContact O-N 3.5Š| ||
| 99 | P | 52.6 | Low | 55.1 | Low | 141 Ų | 141 | 124.4 Ų | 124.4 | 92% | 0.916 | 75% | 0.75 | S | S | * | * | trans | -82.5 | 69.3 | -177.8 | 35.2 | -32.2 | 0 | 0 | 0 | 109.5 | S101 | P99-S101 PolarHBondContact O-N 3.25Š| ||
| 100 | S | 39.1 | Very low | 57.5 | Low | 102 Ų | 102 | 123.5 Ų | 123.5 | 71% | 0.713 | 74% | 0.735 | S | S | * | * | trans | -88.1 | 100.7 | 166.9 | 45.8 | 0 | 0 | 0 | 0 | 108.5 | G98 S102 | G98-S100 PolarHBondContact O-N 3.5Å; S100-S102 VanDerWaalsContact C-N 3.27Å; S100-S102 PolarHBondContact O-N 2.95Å | ||
| 101 | S | 49.2 | Very low | 59.3 | Low | 123 Ų | 123 | 117.9 Ų | 117.9 | 86% | 0.86 | 71% | 0.711 | S | S | * | * | trans | -66.9 | 74.7 | 177.6 | 55.7 | 0 | 0 | 0 | 0 | 112.7 | P99 | P99-S101 PolarHBondContact O-N 3.25Š| ||
| 102 | S | 48.1 | Very low | 61.3 | Low | 98 Ų | 98 | 115.3 Ų | 115.3 | 69% | 0.685 | 69% | 0.685 | S | S | * | * | trans | -151.6 | 58.2 | 158.8 | 65.5 | 0 | 0 | 0 | 0 | 110 | S100 S104 | S100-S102 VanDerWaalsContact C-N 3.27Å; S100-S102 PolarHBondContact O-N 2.95Å; S102-S104 PolarHBondContact O-N 2.79Å | ||
| 103 | S | 47.8 | Very low | 63.1 | Low | 107 Ų | 107 | 108.1 Ų | 108.1 | 75% | 0.748 | 65% | 0.653 | S | S | * | * | trans | -56 | 99.8 | 150.8 | 56.5 | 0 | 0 | 0 | 0 | 105.8 | S105 | S103-S105 PolarHBondContact O-N 2.88Š| ||
| 104 | S | 56 | Low | 65.2 | Low | 117 Ų | 117 | 98.7 Ų | 98.7 | 82% | 0.818 | 61% | 0.609 | S | S | * | * | trans | -63.9 | 77.3 | 172.5 | 46.7 | 0 | 0 | 0 | 0 | 107.6 | S102 S106 | S102-S104 PolarHBondContact O-N 2.79Å; S104-S106 VanDerWaalsContact C-N 3.35Å; S104-S106 PolarHBondContact O-N 3.06Å | ||
| 105 | S | 58.1 | Low | 67.5 | Low | 100 Ų | 100 | 95.1 Ų | 95.1 | 70% | 0.699 | 59% | 0.585 | S | S | * | * | trans | -61.1 | 102.5 | 174.7 | 58 | 0 | 0 | 0 | 0 | 105.4 | S103 S107 | S103-S105 PolarHBondContact O-N 2.88Å; S105-S107 VanDerWaalsContact C-N 3.35Å; S105-S107 PolarHBondContact O-N 2.8Å | ||
| 106 | S | 67.2 | Low | 69.3 | Low | 74 Ų | 74 | 87.9 Ų | 87.9 | 52% | 0.517 | 55% | 0.546 | S | S | . | . | trans | -55.6 | 103.6 | 174.3 | 51.1 | 0 | 0 | 0 | 0 | 107.2 | S104 T108 | S104-S106 VanDerWaalsContact C-N 3.35Å; S104-S106 PolarHBondContact O-N 3.06Å; S106-T108 PolarHBondContact O-N 3.19Å | ||
| 107 | S | 79.4 | Confident | 71.8 | Confident | 92 Ų | 92 | 83.6 Ų | 83.6 | 64% | 0.643 | 53% | 0.525 | S | S | * | . | trans | -70.1 | 108.8 | -176.8 | 57.5 | 0 | 0 | 0 | 0 | 106.9 | S105 S109 | S105-S107 VanDerWaalsContact C-N 3.35Å; S105-S107 PolarHBondContact O-N 2.8Å; S107-S109 PolarHBondContact O-N 2.9Å | ||
| 108 | T | 87.6 | Confident | 73.9 | Confident | 68 Ų | 68 | 79.2 Ų | 79.2 | 42% | 0.417 | 50% | 0.499 | S | S | . | . | trans | -76.6 | 119.6 | 173.9 | -65.2 | 0 | 0 | 0 | 0 | 107.4 | K76 S106 Y110 | K76-T108 HydrophobicContact CD-CG2 4.27Å; K76-T108 VanDerWaalsContact CE-CG2 3.42Å; K76-T108 HydrophobicContact CG-CG2 3.99Å; S106-T108 PolarHBondContact O-N 3.19Å; T108-Y110 HydrophobicContact CG2-CD2 4.38Å; T108-Y110 HydrophobicContact CG2-CE2 3.61Å | ||
| 109 | S | 88.9 | Confident | 76.6 | Confident | 62 Ų | 62 | 78.5 Ų | 78.5 | 43% | 0.434 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 159.4 | 174.4 | 64.1 | 0 | 0 | 0 | 0 | 110.7 | H77 S107 | H77-S109 WeakPolarHBondContact CB-OG 3.47Å; H77-S109 PolarHBondContact N-O 2.85Å; H77-S109 PolarHBondContact O-N 3.46Å; S107-S109 PolarHBondContact O-N 2.9Å |
| 110 | Y | 89.7 | Confident | 78.8 | Confident | 141 Ų | 141 | 71.8 Ų | 71.8 | 55% | 0.553 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 135.3 | 178.3 | -65.2 | -95 | 0 | 0 | 0 | 109.3 | L74 T75 K76 T108 | L74-Y110 HydrophobicContact CB-CD1 4.39Å; T75-Y110 CarbonylContact O-C 3.56Å; T75-Y110 VanDerWaalsContact O-CA 3.29Å; T75-Y110 WeakPolarHBondContact O-CA 3.05Å; K76-Y110 HydrophobicContact CB-CD1 3.82Å; K76-Y110 HydrophobicContact CB-CE1 3.51Å; K76-Y110 HydrophobicContact CD-CE1 4.02Å; K76-Y110 HydrophobicContact CG-CD1 4.15Å; K76-Y110 HydrophobicContact CG-CE1 3.55Å; T108-Y110 HydrophobicContact CG2-CD2 4.38Å; T108-Y110 HydrophobicContact CG2-CE2 3.61Å |
| 111 | S | 90.3 | Very high | 81.5 | Confident | 49 Ų | 49 | 67.9 Ų | 67.9 | 34% | 0.343 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 146.4 | 169.9 | 66.3 | 0 | 0 | 0 | 0 | 110.7 | L74 T75 H77 S113 | L74-S111 CarbonylContact C-O 3.58Å; L74-S111 WeakPolarHBondContact CA-O 3.29Å; T75-S111 PolarHBondContact N-O 2.87Å; T75-S111 PolarHBondContact O-N 2.89Å; H77-S111 PolarHBondContact NE2-OG 3.16Å; S111-S113 PolarHBondContact O-N 2.98Å |
| 112 | V | 91 | Very high | 83.8 | Confident | 40 Ų | 40 | 62 Ų | 62 | 24% | 0.242 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 113.9 | 173 | -178.3 | 0 | 0 | 0 | 0 | 108.3 | I6 P15 A72 V73 L74 L115 | I6-V112 HydrophobicContact CB-CG2 4.44Å; I6-V112 HydrophobicContact CD1-CG1 4.38Å; I6-V112 HydrophobicContact CD1-CG2 4.22Å; I6-V112 HydrophobicContact CG1-CG2 4.02Å; I6-V112 HydrophobicContact CG2-CB 4.21Å; I6-V112 HydrophobicContact CG2-CG2 3.75Å; P15-V112 HydrophobicContact CB-CG1 4.14Å; P15-V112 HydrophobicContact CG-CB 4.47Å; P15-V112 HydrophobicContact CG-CG1 3.97Å; A72-V112 HydrophobicContact CB-CG1 4.48Å; V73-V112 CarbonylContact O-C 3.56Å; V73-V112 WeakPolarHBondContact O-CA 3.45Å; L74-V112 HydrophobicContact CD2-CB 4.46Å; L74-V112 HydrophobicContact CD2-CG2 3.74Å; V112-L115 HydrophobicContact CG1-CD2 4.44Å |
| 113 | S | 91.7 | Very high | 86 | Confident | 32 Ų | 32 | 63 Ų | 63 | 22% | 0.224 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | -35.2 | -179.7 | -59.2 | 0 | 0 | 0 | 0 | 112.6 | P16 V73 T75 S111 | P16-S113 WeakPolarHBondContact CD-O 3.47Å; P16-S113 VanDerWaalsContact CG-O 3.29Å; P16-S113 WeakPolarHBondContact CG-O 3.41Å; V73-S113 PolarHBondContact O-N 2.86Å; T75-S113 WeakPolarHBondContact CB-OG 3.34Å; T75-S113 PolarHBondContact OG1-OG 2.81Å; S111-S113 PolarHBondContact O-N 2.98Å |
| 114 | A | 93.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.4 | 164.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | P16 W18 V73 | P16-A114 HydrophobicContact CG-CB 4.37Å; P16-A114 CarbonylContact O-C 3.59Å; P16-A114 VanDerWaalsContact O-CA 3.27Å; P16-A114 WeakPolarHBondContact O-CA 3.47Å; P16-A114 WeakPolarHBondContact O-CB 3.33Å; W18-A114 HydrophobicContact CB-CB 4.03Å; W18-A114 HydrophobicContact CD2-CB 3.32Å; W18-A114 VanDerWaalsContact CE2-CB 3.48Å; W18-A114 HydrophobicContact CE3-CB 3.9Å; W18-A114 HydrophobicContact CG-CB 3.38Å; W18-A114 HydrophobicContact CZ2-CB 4.15Å; V73-A114 HydrophobicContact CB-CB 4.22Å; V73-A114 HydrophobicContact CG2-CB 4.15Å; V73-A114 PolarHBondContact N-O 2.93Å |
| 115 | L | 93.4 | Very high | 89.8 | Confident | 43 Ų | 43 | 66.2 Ų | 66.2 | 23% | 0.225 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 135.5 | 167.9 | -63.2 | 176.2 | 0 | 0 | 0 | 110.1 | I6 P15 P16 E17 W18 F71 A72 V112 | I6-L115 HydrophobicContact CD1-CD2 4.01Å; P15-L115 HydrophobicContact CB-CG 4.39Å; P16-L115 PolarHBondContact O-N 3.47Å; E17-L115 CarbonylContact C-O 3.52Å; E17-L115 VanDerWaalsContact CA-O 3.3Å; E17-L115 WeakPolarHBondContact CA-O 3.44Å; W18-L115 PolarHBondContact N-O 3.25Å; F71-L115 CarbonylContact O-C 3.59Å; F71-L115 WeakPolarHBondContact O-CA 3.47Å; A72-L115 HydrophobicContact CB-CD2 4.01Å; V112-L115 HydrophobicContact CG1-CD2 4.44Å |
| 116 | I | 96.4 | Very high | 91.4 | Very high | 16 Ų | 16 | 63.8 Ų | 63.8 | 8% | 0.082 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 113.4 | 177.3 | -59.4 | 170.9 | 0 | 0 | 0 | 107.9 | W18 L20 L67 P70 F71 V73 R118 | W18-I116 HydrophobicContact CB-CG1 4.01Å; L20-I116 HydrophobicContact CB-CD1 4.45Å; L20-I116 HydrophobicContact CB-CG2 3.61Å; L67-I116 HydrophobicContact CD1-CG2 3.84Å; P70-I116 CarbonylContact C-O 3.43Å; P70-I116 WeakPolarHBondContact CA-O 3.49Å; P70-I116 WeakPolarHBondContact CB-O 3.49Å; F71-I116 HydrophobicContact CB-CB 4.18Å; F71-I116 PolarHBondContact N-O 2.85Å; F71-I116 PolarHBondContact O-N 3.48Å; V73-I116 HydrophobicContact CG2-CD1 3.62Å; V73-I116 HydrophobicContact CG2-CG1 4Å; I116-R118 WeakPolarHBondContact CG2-O 3.32Å |
| 117 | K | 96 | Very high | 92.7 | Very high | 87 Ų | 87 | 66.2 Ų | 66.2 | 38% | 0.378 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | -15.1 | 179.9 | -57.4 | 179.5 | -164.9 | 145.7 | 0 | 113.2 | E17 L67 P70 | E17-K117 WeakPolarHBondContact OE2-CD 3.48Å; E17-K117 WeakPolarHBondContact OE2-CE 3.45Å; E17-K117 IonicContact OE2-NZ 2.78Å; E17-K117 PolarHBondContact OE2-NZ 3.13Å; L67-K117 WeakPolarHBondContact CB-O 3.5Å; L67-K117 PolarHBondContact N-O 2.92Å; P70-K117 HydrophobicContact CB-CG 4.23Å; P70-K117 HydrophobicContact CG-CG 4.41Å |
| 118 | R | 96.9 | Very high | 93.2 | Very high | 119 Ų | 119 | 66 Ų | 66 | 45% | 0.449 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 154.3 | -176.5 | -59.1 | 179.3 | -171.4 | -178.3 | 2.9 | 109.8 | L19 L20 V65 I116 | L19-R118 HydrophobicContact CD1-CB 3.95Å; L20-R118 PolarHBondContact N-O 3.21Å; V65-R118 CarbonylContact O-C 3.59Å; V65-R118 WeakPolarHBondContact O-CA 3.29Å; I116-R118 WeakPolarHBondContact CG2-O 3.32Å |
| 119 | K | 97.1 | Very high | 93.4 | Very high | 37 Ų | 37 | 66 Ų | 66 | 16% | 0.161 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 149.5 | 171.4 | 62.1 | 172.3 | 171.1 | 173 | 0 | 112.7 | L20 E22 Q64 V65 L67 I121 | L20-K119 HydrophobicContact CB-CB 3.87Å; L20-K119 HydrophobicContact CD2-CB 4.15Å; L20-K119 HydrophobicContact CD2-CD 4.38Å; L20-K119 HydrophobicContact CG-CB 4.16Å; L20-K119 CarbonylContact O-C 3.55Å; L20-K119 WeakPolarHBondContact O-CA 3.5Å; L20-K119 WeakPolarHBondContact O-CB 3.33Å; E22-K119 IonicContact OE1-NZ 3.92Å; E22-K119 WeakPolarHBondContact OE2-CD 3.49Å; E22-K119 WeakPolarHBondContact OE2-CE 3.36Å; E22-K119 IonicContact OE2-NZ 2.63Å; E22-K119 PolarHBondContact OE2-NZ 3.38Å; Q64-K119 WeakPolarHBondContact CA-O 3.38Å; V65-K119 HydrophobicContact CB-CG 4.28Å; V65-K119 PolarHBondContact N-O 3.07Å; V65-K119 PolarHBondContact O-N 3.06Å; L67-K119 HydrophobicContact CD2-CD 3.85Å; L67-K119 HydrophobicContact CD2-CG 3.91Å; K119-I121 HydrophobicContact CD-CD1 3.86Å; K119-I121 HydrophobicContact CD-CG1 3.69Å; K119-I121 HydrophobicContact CG-CD1 4.1Å; K119-I121 HydrophobicContact CG-CG1 3.8Å |
| 120 | L | 97.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 125.4 | 164 | -52.4 | -175 | 0 | 0 | 0 | 108 | L19 L20 V21 E22 L43 P51 Q64 F122 | L19-L120 HydrophobicContact CD1-CD2 4.33Å; L19-L120 HydrophobicContact CD1-CG 4.2Å; L19-L120 HydrophobicContact CD2-CD1 3.73Å; L19-L120 HydrophobicContact CD2-CD2 4.2Å; L19-L120 HydrophobicContact CD2-CG 3.76Å; L19-L120 HydrophobicContact CG-CG 4.12Å; L20-L120 PolarHBondContact O-N 2.79Å; V21-L120 HydrophobicContact CG2-CD1 4.41Å; E22-L120 PolarHBondContact N-O 2.83Å; L43-L120 HydrophobicContact CD1-CD1 4.12Å; L43-L120 HydrophobicContact CD2-CD1 3.61Å; L43-L120 HydrophobicContact CG-CD1 4.48Å; P51-L120 HydrophobicContact CB-CD1 4.17Å; P51-L120 HydrophobicContact CB-CD2 4.25Å; P51-L120 HydrophobicContact CG-CD2 4.12Å; Q64-L120 HydrophobicContact CB-CD2 3.83Å; Q64-L120 HydrophobicContact CG-CD2 3.89Å; L120-F122 HydrophobicContact CB-CE2 3.77Å; L120-F122 HydrophobicContact CB-CZ 4.32Å |
| 121 | I | 96.8 | Very high | 91.8 | Very high | 20 Ų | 20 | 68.5 Ų | 68.5 | 10% | 0.103 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 123.2 | -176.8 | -57.4 | 175.4 | 0 | 0 | 0 | 109.2 | E22 G62 K63 V65 K119 K123 | E22-I121 HydrophobicContact CB-CG1 4.49Å; G62-I121 CarbonylContact C-O 3.59Å; G62-I121 WeakPolarHBondContact CA-O 3.12Å; K63-I121 PolarHBondContact N-O 3.18Å; K63-I121 PolarHBondContact O-N 3.28Å; V65-I121 HydrophobicContact CB-CD1 4.03Å; V65-I121 HydrophobicContact CG2-CD1 3.6Å; V65-I121 HydrophobicContact CG2-CG1 4.36Å; K119-I121 HydrophobicContact CD-CD1 3.86Å; K119-I121 HydrophobicContact CD-CG1 3.69Å; K119-I121 HydrophobicContact CG-CD1 4.1Å; K119-I121 HydrophobicContact CG-CG1 3.8Å; I121-K123 HydrophobicContact CG2-CB 4.32Å; I121-K123 HydrophobicContact CG2-CD 3.45Å; I121-K123 VanDerWaalsContact CG2-CD 3.45Å; I121-K123 HydrophobicContact CG2-CG 3.46Å; I121-K123 VanDerWaalsContact CG2-CG 3.46Å |
| 122 | F | 96.6 | Very high | 90.3 | Very high | 1 Ų | 1 | 73.1 Ų | 73.1 | 0% | 0.004 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 89 | 173.6 | -56.8 | -90.5 | 0 | 0 | 0 | 109.1 | V21 E22 L23 Q24 L43 P51 L53 L60 G62 L120 | V21-F122 HydrophobicContact CG1-CD2 4.19Å; V21-F122 HydrophobicContact CG1-CE2 3.97Å; E22-F122 PolarHBondContact O-N 3.12Å; L23-F122 HydrophobicContact CD2-CB 4.02Å; L23-F122 HydrophobicContact CD2-CD2 3.89Å; L23-F122 HydrophobicContact CD2-CG 4.16Å; Q24-F122 PolarHBondContact N-O 3.17Å; L43-F122 HydrophobicContact CD1-CZ 3.79Å; P51-F122 HydrophobicContact CB-CE1 4.36Å; P51-F122 HydrophobicContact CB-CZ 4.01Å; P51-F122 HydrophobicContact CG-CZ 4.37Å; L53-F122 HydrophobicContact CB-CD1 3.98Å; L53-F122 HydrophobicContact CB-CE1 3.44Å; L53-F122 VanDerWaalsContact CB-CE1 3.44Å; L53-F122 HydrophobicContact CB-CE2 4.28Å; L53-F122 HydrophobicContact CB-CZ 3.61Å; L53-F122 HydrophobicContact CD2-CD2 4.31Å; L53-F122 HydrophobicContact CD2-CE2 4.23Å; L53-F122 HydrophobicContact CD2-CZ 4.38Å; L60-F122 HydrophobicContact CB-CB 4.29Å; L60-F122 HydrophobicContact CB-CD1 3.79Å; L60-F122 HydrophobicContact CB-CG 4.36Å; L60-F122 HydrophobicContact CD2-CB 4.11Å; G62-F122 VanDerWaalsContact CA-CD1 3.43Å; L120-F122 HydrophobicContact CB-CE2 3.77Å; L120-F122 HydrophobicContact CB-CZ 4.32Å |
| 123 | K | 94.3 | Very high | 88.9 | Confident | 119 Ų | 119 | 77.1 Ų | 77.1 | 52% | 0.517 | 39% | 0.388 | S | S | . | . | trans | -101.1 | -7 | -178.7 | -78 | 171.7 | 179.6 | -174.3 | 0 | 114 | E22 Q24 I121 | E22-K123 WeakPolarHBondContact OE1-CE 3.36Å; E22-K123 IonicContact OE1-NZ 3.74Å; Q24-K123 HydrophobicContact CB-CG 4.45Å; Q24-K123 PolarHBondContact OE1-O 2.84Å; I121-K123 HydrophobicContact CG2-CB 4.32Å; I121-K123 HydrophobicContact CG2-CD 3.45Å; I121-K123 VanDerWaalsContact CG2-CD 3.45Å; I121-K123 HydrophobicContact CG2-CG 3.46Å; I121-K123 VanDerWaalsContact CG2-CG 3.46Å | ||
| 124 | T | 91.9 | Very high | 87.1 | Confident | 74 Ų | 74 | 81.5 Ų | 81.5 | 45% | 0.454 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -83 | 150 | -178.3 | 58.6 | 0 | 0 | 0 | 0 | 110.4 | Y61 | Y61-T124 PolarHBondContact O-OG1 3.28Å; Y61-T124 VanDerWaalsContact O-OG1 3.07Å |
| 125 | R | 91.5 | Very high | 85.5 | Confident | 216 Ų | 216 | 90.8 Ų | 90.8 | 82% | 0.815 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -58.4 | 131.8 | 176.3 | -174.2 | 176.8 | -175.8 | -113.9 | 1.8 | 109.5 | K127 | R125-K127 PolarHBondContact O-N 3.29Š|
| 126 | P | 92.5 | Very high | 83.7 | Confident | 50 Ų | 50 | 98.6 Ų | 98.6 | 33% | 0.325 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 125.9 | 176.5 | -21.3 | 30.3 | 0 | 0 | 0 | 110.7 | H58 L60 | H58-P126 HydrophobicContact CB-CB 3.79Å; L60-P126 HydrophobicContact CD1-CB 4.45Å; L60-P126 HydrophobicContact CD2-CG 4.09Å; L60-P126 HydrophobicContact CG-CB 4.2Å; L60-P126 HydrophobicContact CG-CG 4.33Å |
| 127 | K | 93.3 | Very high | 81.8 | Confident | 124 Ų | 124 | 107.5 Ų | 107.5 | 54% | 0.539 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 137.4 | 177.8 | -67.9 | -175.5 | 177.3 | -179.7 | 0 | 109.3 | H58 I59 Y61 R125 | H58-K127 CarbonylContact C-O 3.57Å; H58-K127 VanDerWaalsContact CA-O 3.32Å; H58-K127 WeakPolarHBondContact CA-O 3.12Å; I59-K127 HydrophobicContact CG2-CB 3.79Å; I59-K127 WeakPolarHBondContact CG2-O 3.03Å; I59-K127 PolarHBondContact N-O 3.4Å; I59-K127 PolarHBondContact O-N 2.9Å; Y61-K127 HydrophobicContact CE2-CD 4.34Å; R125-K127 PolarHBondContact O-N 3.29Å |
| 128 | P | 91.6 | Very high | 81.1 | Confident | 87 Ų | 87 | 108.6 Ų | 108.6 | 57% | 0.565 | 55% | 0.551 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -67.9 | 142.5 | 173.8 | 28.9 | -33.5 | 0 | 0 | 0 | 110.2 | I130 | P128-I130 PolarHBondContact O-N 2.99Å |
| 129 | I | 90 | Very high | 80.2 | Confident | 70 Ų | 70 | 108 Ų | 108 | 36% | 0.359 | 56% | 0.557 | S | S | . | * | trans | -82.4 | 112 | 170.4 | -60.2 | 171.6 | 0 | 0 | 0 | 107.6 | I54 H57 I59 T131 | I54-I129 HydrophobicContact CG2-CD1 3.84Å; H57-I129 PolarHBondContact O-N 3.5Å; I59-I129 HydrophobicContact CB-CD1 4.44Å; I59-I129 HydrophobicContact CB-CG1 4.1Å; I59-I129 HydrophobicContact CG2-CG1 4.18Å; I129-T131 HydrophobicContact CG2-CG2 4.19Å | ||
| 130 | I | 78.1 | Confident | 79.3 | Confident | 141 Ų | 141 | 111.9 Ų | 111.9 | 72% | 0.723 | 58% | 0.579 | S | S | * | * | trans | -91.9 | 111.7 | 177.5 | -55.2 | 175.7 | 0 | 0 | 0 | 107.9 | P128 N132 | P128-I130 PolarHBondContact O-N 2.99Å; I130-N132 HydrophobicContact CG2-CB 4.22Å | ||
| 131 | T | 68.7 | Low | 78.2 | Confident | 114 Ų | 114 | 118.5 Ų | 118.5 | 70% | 0.699 | 61% | 0.613 | S | S | * | * | trans | -94.1 | 4 | -179.5 | 52.7 | 0 | 0 | 0 | 0 | 113.7 | I129 V133 | I129-T131 HydrophobicContact CG2-CG2 4.19Å; T131-V133 PolarHBondContact O-N 3.35Å | ||
| 132 | N | 58.7 | Low | 77.1 | Confident | 145 Ų | 145 | 124.7 Ų | 124.7 | 78% | 0.775 | 65% | 0.645 | S | S | * | * | trans | -72.1 | 78.7 | 176.1 | -79.9 | -2.9 | 0 | 0 | 0 | 110.9 | I130 P134 | I130-N132 HydrophobicContact CG2-CB 4.22Å; N132-P134 WeakPolarHBondContact O-CD 3.43Å | ||
| 133 | V | 60.5 | Low | 75.8 | Confident | 125 Ų | 125 | 132.9 Ų | 132.9 | 76% | 0.758 | 69% | 0.687 | S | S | * | * | trans | -80.1 | 114.5 | 154.5 | -90.8 | 0 | 0 | 0 | 0 | 107.1 | T131 K135 | T131-V133 PolarHBondContact O-N 3.35Å; V133-K135 PolarHBondContact O-N 2.95Å; V133-K135 VanDerWaalsContact O-N 3.17Å | ||
| 134 | P | 53.8 | Low | 74.5 | Confident | 123 Ų | 123 | 133.9 Ų | 133.9 | 80% | 0.799 | 70% | 0.7 | S | S | * | * | trans | -53.4 | 125.9 | 171.4 | -21.4 | 31.8 | 0 | 0 | 0 | 108.5 | N132 K136 | N132-P134 WeakPolarHBondContact O-CD 3.43Å; P134-K136 PolarHBondContact O-N 2.95Å; P134-K136 VanDerWaalsContact O-N 3.12Å | ||
| 135 | K | 59.3 | Low | 73.1 | Confident | 195 Ų | 195 | 138.5 Ų | 138.5 | 85% | 0.848 | 72% | 0.718 | S | S | * | * | trans | -60.6 | 119.5 | 167 | -70.3 | -178.4 | 179.7 | 179.5 | 0 | 106 | V133 V137 | V133-K135 PolarHBondContact O-N 2.95Å; V133-K135 VanDerWaalsContact O-N 3.17Å; K135-V137 PolarHBondContact O-N 3.17Å | ||
| 136 | K | 57.2 | Low | 71.6 | Confident | 208 Ų | 208 | 132.1 Ų | 132.1 | 90% | 0.904 | 71% | 0.71 | S | S | * | * | trans | -59.2 | 107.4 | 169.3 | -169.8 | 175.1 | -179.2 | -176.7 | 0 | 106.2 | P134 | P134-K136 PolarHBondContact O-N 2.95Å; P134-K136 VanDerWaalsContact O-N 3.12Å | ||
| 137 | V | 55.2 | Low | 69.7 | Low | 203 Ų | 203 | 139.5 Ų | 139.5 | 100% | 1.23 | 75% | 0.745 | S | S | * | * | trans | -68.1 | 0 | 169.1 | -173.5 | 0 | 0 | 0 | 0 | 108 | K135 | K135-V137 PolarHBondContact O-N 3.17Š|
Retrieved 137 of 137 residues in 56.3 ms
(Link to these results)