| 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 | P | 71.9 | Confident | 89.8 | Confident | 147 Ų | 147 | 83.8 Ų | 83.8 | 96% | 0.955 | 46% | 0.464 | S | S | * | . | 0 | 132.1 | 0 | 14 | -30.6 | 0 | 0 | 0 | 107.7 | L103 | P1-L103 CarbonylContact C-O 3.54Å; P1-L103 WeakPolarHBondContact CA-O 3.48Å; P1-L103 HydrophobicContact CB-CB 4.24Å; P1-L103 HydrophobicContact CB-CD2 4.27Å | |||
| 2 | E | 82.6 | Confident | 90.5 | Very high | 75 Ų | 75 | 77.2 Ų | 77.2 | 35% | 0.35 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 117.5 | -174.1 | -161.1 | 168.4 | 177.9 | 0 | 0 | 109.3 | V4 V10 L103 V104 T105 | E2-V4 HydrophobicContact CG-CG1 3.97Å; E2-V10 HydrophobicContact CG-CG2 4.28Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.16Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.16Å; E2-L103 PolarHBondContact N-O 3.42Å; E2-V104 HydrophobicContact CB-CG2 4.49Å; E2-V104 WeakPolarHBondContact O-CA 3.39Å; E2-T105 PolarHBondContact O-N 2.94Å |
| 3 | L | 89.3 | Confident | 91 | Very high | 127 Ų | 127 | 77.1 Ų | 77.1 | 67% | 0.665 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100 | 120.7 | 178.8 | -175.5 | 68.1 | 0 | 0 | 0 | 108.6 | T105 S107 | L3-T105 WeakPolarHBondContact CA-O 3.48Å; L3-T105 HydrophobicContact CD1-CG2 3.95Å; L3-S107 WeakPolarHBondContact CD1-OG 2.87Å |
| 4 | V | 90.4 | Very high | 91.5 | Very high | 17 Ų | 17 | 72.6 Ų | 72.6 | 10% | 0.103 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 153.3 | -173 | -62.9 | 0 | 0 | 0 | 0 | 111.7 | E2 V8 L78 V104 T105 V106 S107 | E2-V4 HydrophobicContact CG-CG1 3.97Å; V4-V8 HydrophobicContact CB-CG2 3.71Å; V4-V8 HydrophobicContact CG1-CG2 4.22Å; V4-V8 HydrophobicContact CG2-CG2 4.32Å; V4-L78 HydrophobicContact CG2-CD1 3.61Å; V4-V104 HydrophobicContact CG2-CG1 4.15Å; V4-T105 PolarHBondContact N-O 3.46Å; V4-V106 HydrophobicContact CG2-CB 4.34Å; V4-V106 HydrophobicContact CG2-CG1 4.45Å; V4-V106 HydrophobicContact CG2-CG2 3.81Å; V4-V106 WeakPolarHBondContact O-CA 3.1Å; V4-S107 PolarHBondContact O-N 3.12Å; V4-S107 VanDerWaalsContact O-N 3.1Å |
| 5 | R | 89.4 | Confident | 91.8 | Very high | 191 Ų | 191 | 77.9 Ų | 77.9 | 72% | 0.721 | 43% | 0.428 | S | S | * | . | trans | -81.3 | 153.3 | 174.1 | -65.5 | -178.1 | -177.9 | 176.8 | 0.5 | 110.5 | V8 | R5-V8 HydrophobicContact CB-CG1 4.42Å; R5-V8 VanDerWaalsContact O-CG2 3.29Å; R5-V8 WeakPolarHBondContact O-CG2 3.41Å | ||
| 6 | P | 92.1 | Very high | 92 | Very high | 73 Ų | 73 | 73.6 Ų | 73.6 | 47% | 0.474 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 145.4 | 172.9 | -23.5 | 33.4 | 0 | 0 | 0 | 112.1 | V8 L78 V106 S107 | P6-V8 VanDerWaalsContact C-N 3.31Å; P6-V8 PolarHBondContact O-N 2.84Å; P6-L78 WeakPolarHBondContact CA-O 3.47Å; P6-V106 HydrophobicContact CB-CG1 4.37Å; P6-V106 HydrophobicContact CG-CG1 4.15Å; P6-S107 WeakPolarHBondContact CD-O 3.29Å |
| 7 | G | 90.8 | Very high | 92 | Very high | 51 Ų | 51 | 75.1 Ų | 75.1 | 53% | 0.526 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.8 | -12 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | L78 | G7-L78 PolarHBondContact N-O 2.86Š|
| 8 | V | 93.7 | Very high | 92 | Very high | 60 Ų | 60 | 75.8 Ų | 75.8 | 36% | 0.364 | 45% | 0.451 | S | S | . | . | trans | -79.6 | 158.4 | 175.2 | -47.7 | 0 | 0 | 0 | 0 | 111.5 | V4 R5 P6 L78 | V4-V8 HydrophobicContact CB-CG2 3.71Å; V4-V8 HydrophobicContact CG1-CG2 4.22Å; V4-V8 HydrophobicContact CG2-CG2 4.32Å; R5-V8 HydrophobicContact CB-CG1 4.42Å; R5-V8 VanDerWaalsContact O-CG2 3.29Å; R5-V8 WeakPolarHBondContact O-CG2 3.41Å; P6-V8 VanDerWaalsContact C-N 3.31Å; P6-V8 PolarHBondContact O-N 2.84Å; V8-L78 WeakPolarHBondContact O-CB 3.4Å; V8-L78 WeakPolarHBondContact O-CG 3.19Å; V8-L78 PolarHBondContact O-N 2.9Å | ||
| 9 | S | 95.4 | Very high | 92 | Very high | 60 Ų | 60 | 74.6 Ų | 74.6 | 42% | 0.42 | 44% | 0.438 | S | S | . | . | trans | -93.8 | 149.2 | 168.2 | -57.1 | 0 | 0 | 0 | 0 | 110.3 | L75 A76 | S9-L75 CarbonylContact C-O 3.59Å; S9-L75 WeakPolarHBondContact CA-O 3.49Å; S9-L75 WeakPolarHBondContact CB-O 3.45Å; S9-A76 WeakPolarHBondContact OG-CA 3.37Å | ||
| 10 | V | 95.7 | Very high | 92.2 | Very high | 3 Ų | 3 | 75 Ų | 75 | 2% | 0.018 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 143.3 | 173.6 | 72.3 | 0 | 0 | 0 | 0 | 110.6 | E2 I12 E74 L75 L78 | E2-V10 HydrophobicContact CG-CG2 4.28Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.16Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.16Å; V10-I12 HydrophobicContact CG1-CG1 4.37Å; V10-E74 CarbonylContact O-C 3.54Å; V10-E74 VanDerWaalsContact O-CA 3.23Å; V10-E74 WeakPolarHBondContact O-CA 3.49Å; V10-L75 HydrophobicContact CG1-CB 3.96Å; V10-L75 HydrophobicContact CG1-CD1 4.14Å; V10-L75 PolarHBondContact N-O 3.1Å; V10-L75 PolarHBondContact O-N 3.18Å; V10-L78 HydrophobicContact CB-CD1 3.86Å; V10-L78 HydrophobicContact CG1-CD1 3.64Å; V10-L78 HydrophobicContact CG1-CD2 4.39Å; V10-L78 HydrophobicContact CG1-CG 4.41Å |
| 11 | K | 96.9 | Very high | 92.3 | Very high | 118 Ų | 118 | 71.8 Ų | 71.8 | 51% | 0.513 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 113.9 | 176.5 | -172.6 | 177.5 | -178 | 178.7 | 0 | 110.4 | Y72 | K11-Y72 HydrophobicContact CD-CD1 4.29Å; K11-Y72 HydrophobicContact CG-CD1 4.27Å |
| 12 | I | 97.2 | Very high | 93.5 | Very high | 4 Ų | 4 | 66.8 Ų | 66.8 | 2% | 0.021 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 131.7 | 179.3 | -49.5 | -175.7 | 0 | 0 | 0 | 108.8 | V10 W28 Y72 M73 L75 Y86 T102 V104 | V10-I12 HydrophobicContact CG1-CG1 4.37Å; I12-W28 HydrophobicContact CB-CH2 4.31Å; I12-W28 HydrophobicContact CB-CZ3 4.07Å; I12-W28 HydrophobicContact CG2-CH2 4.09Å; I12-W28 HydrophobicContact CG2-CZ3 3.69Å; I12-W28 WeakPolarHBondContact O-CH2 2.98Å; I12-Y72 CarbonylContact O-C 3.43Å; I12-Y72 VanDerWaalsContact O-CA 3.23Å; I12-Y72 WeakPolarHBondContact O-CA 3.42Å; I12-M73 HydrophobicContact CD1-CE 3.8Å; I12-M73 HydrophobicContact CG1-CE 4.46Å; I12-M73 PolarHBondContact N-O 2.99Å; I12-M73 PolarHBondContact O-N 2.95Å; I12-L75 HydrophobicContact CD1-CD1 4.17Å; I12-Y86 HydrophobicContact CD1-CD1 4.35Å; I12-Y86 HydrophobicContact CD1-CD2 3.92Å; I12-Y86 HydrophobicContact CD1-CG 3.68Å; I12-T102 HydrophobicContact CG2-CG2 4.44Å; I12-V104 HydrophobicContact CD1-CG2 3.99Å |
| 13 | S | 97.4 | Very high | 94 | Very high | 76 Ų | 76 | 68.3 Ų | 68.3 | 53% | 0.531 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 143 | 178.4 | 63.2 | 0 | 0 | 0 | 0 | 112.1 | A71 Y72 | S13-A71 CarbonylContact C-O 3.5Å; S13-Y72 VanDerWaalsContact CB-CE1 3.5Å |
| 14 | C | 97.5 | Very high | 94.2 | Very high | 14 Ų | 14 | 64.5 Ų | 64.5 | 10% | 0.095 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 109.8 | 171.7 | -178.4 | 0 | 0 | 0 | 0 | 110.2 | W28 T70 A71 C88 | C14-W28 HydrophobicContact CB-CH2 3.72Å; C14-W28 HydrophobicContact CB-CZ2 4.02Å; C14-W28 HydrophobicContact CB-CZ3 4.49Å; C14-T70 WeakPolarHBondContact O-CA 3.21Å; C14-A71 PolarHBondContact N-O 2.93Å; C14-A71 PolarHBondContact O-N 2.82Å; C14-C88 HydrophobicContact CB-CB 3.43Å; C14-C88 VanDerWaalsContact CB-CB 3.43Å; C14-C88 WeakPolarHBondContact CB-SG 3.45Å; C14-C88 WeakPolarHBondContact SG-CB 3.37Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.8Å |
| 15 | K | 96.9 | Very high | 94.5 | Very high | 152 Ų | 152 | 65.6 Ų | 65.6 | 66% | 0.661 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 125.4 | -180 | -172.9 | 173.6 | -175.8 | 177.6 | 0 | 110.7 | ||
| 16 | G | 94.3 | Very high | 94.9 | Very high | 10 Ų | 10 | 56.7 Ų | 56.7 | 10% | 0.103 | 35% | 0.354 | C | S | . | . | trans | -73.7 | 140 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y19 S69 | G16-Y19 WeakPolarHBondContact CA-OH 3.34Å; G16-S69 PolarHBondContact N-O 2.81Å | ||
| 17 | S | 92.7 | Very high | 95.1 | Very high | 98 Ų | 98 | 56.1 Ų | 56.1 | 69% | 0.685 | 35% | 0.345 | S | S | * | . | trans | -145 | 138.4 | 178.6 | 62.2 | 0 | 0 | 0 | 0 | 111.4 | Y19 | S17-Y19 VanDerWaalsContact O-CD1 3.25Å; S17-Y19 WeakPolarHBondContact O-CD1 3.34Å | ||
| 18 | G | 92.2 | Very high | 95.5 | Very high | 89 Ų | 89 | 53.8 Ų | 53.8 | 92% | 0.918 | 32% | 0.32 | S | S | * | . | S | Bend | trans | 79.9 | 15.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 19 | Y | 91.7 | Very high | 95.7 | Very high | 53 Ų | 53 | 51.5 Ų | 51.5 | 21% | 0.208 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -157.2 | 163.8 | 174.8 | 65.2 | -82.8 | 0 | 0 | 0 | 110.3 | G16 S17 F21 Y24 R90 | G16-Y19 WeakPolarHBondContact CA-OH 3.34Å; S17-Y19 VanDerWaalsContact O-CD1 3.25Å; S17-Y19 WeakPolarHBondContact O-CD1 3.34Å; Y19-F21 HydrophobicContact CE2-CD2 4.35Å; Y19-F21 PolarHBondContact O-N 2.97Å; Y19-F21 VanDerWaalsContact O-N 3.12Å; Y19-Y24 AromaticContact CD2-CD2 3.39Å; Y19-Y24 HydrophobicContact CD2-CD2 3.39Å; Y19-Y24 AromaticContact CD2-CE2 3.76Å; Y19-Y24 HydrophobicContact CD2-CE2 3.76Å; Y19-Y24 HydrophobicContact CD2-CG 4.42Å; Y19-Y24 AromaticContact CE2-CD2 3.66Å; Y19-Y24 HydrophobicContact CE2-CD2 3.66Å; Y19-Y24 HydrophobicContact CE2-CE2 4.45Å; Y19-Y24 HydrophobicContact CE2-CG 4.33Å; Y19-Y24 HydrophobicContact CG-CD2 4.38Å; Y19-Y24 HydrophobicContact CG-CE2 4.41Å; Y19-R90 VanDerWaalsContact CZ-CD 3.49Å |
| 20 | T | 95.1 | Very high | 95.7 | Very high | 82 Ų | 82 | 49.1 Ų | 49.1 | 50% | 0.503 | 29% | 0.288 | S | S | . | . | trans | -68.4 | 106.5 | 170.7 | -54.8 | 0 | 0 | 0 | 0 | 109.1 | T22 D23 | T20-T22 PolarHBondContact O-N 3.42Å; T20-T22 VanDerWaalsContact O-N 3.11Å; T20-D23 VanDerWaalsContact CB-OD2 3.26Å; T20-D23 WeakPolarHBondContact CB-OD2 3.41Å; T20-D23 WeakPolarHBondContact CG2-OD1 3.17Å; T20-D23 WeakPolarHBondContact O-CB 3.37Å; T20-D23 PolarHBondContact O-N 2.98Å | ||
| 21 | F | 95.3 | Very high | 95.7 | Very high | 7 Ų | 7 | 51.6 Ų | 51.6 | 3% | 0.031 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -55 | -36.3 | -169.9 | 176.1 | -113.8 | 0 | 0 | 0 | 113.9 | Y19 D23 M26 T45 V64 S69 A71 | Y19-F21 HydrophobicContact CE2-CD2 4.35Å; Y19-F21 PolarHBondContact O-N 2.97Å; Y19-F21 VanDerWaalsContact O-N 3.12Å; F21-D23 VanDerWaalsContact C-N 3.28Å; F21-D23 PolarHBondContact O-N 2.92Å; F21-M26 HydrophobicContact CE2-CE 3.86Å; F21-T45 HydrophobicContact CD1-CG2 4.42Å; F21-T45 HydrophobicContact CD2-CG2 4.43Å; F21-T45 HydrophobicContact CE1-CG2 3.87Å; F21-T45 HydrophobicContact CE2-CG2 3.86Å; F21-T45 HydrophobicContact CZ-CG2 3.54Å; F21-T45 PolarHBondContact O-OG1 3.23Å; F21-V64 HydrophobicContact CE1-CG2 3.41Å; F21-V64 VanDerWaalsContact CE1-CG2 3.41Å; F21-V64 HydrophobicContact CZ-CG2 3.84Å; F21-S69 WeakPolarHBondContact CE2-O 3.39Å; F21-A71 HydrophobicContact CZ-CB 4.07Å |
| 22 | T | 96 | Very high | 95.3 | Very high | 42 Ų | 42 | 47.1 Ų | 47.1 | 26% | 0.258 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -73.5 | -11.6 | -178.2 | 51.9 | 0 | 0 | 0 | 0 | 114.8 | T20 Y24 T45 Y46 K66 | T20-T22 PolarHBondContact O-N 3.42Å; T20-T22 VanDerWaalsContact O-N 3.11Å; T22-Y24 PolarHBondContact O-N 2.79Å; T22-T45 VanDerWaalsContact CA-OG1 3.28Å; T22-T45 WeakPolarHBondContact CA-OG1 3.48Å; T22-T45 PolarHBondContact O-OG1 2.84Å; T22-Y46 WeakPolarHBondContact O-CB 3.41Å; T22-K66 HydrophobicContact CG2-CG 4.44Å |
| 23 | D | 94.2 | Very high | 94.5 | Very high | 107 Ų | 107 | 54.2 Ų | 54.2 | 57% | 0.572 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -78.7 | -9.7 | -177.8 | -67 | -1.6 | 0 | 0 | 0 | 112.5 | T20 F21 | T20-D23 VanDerWaalsContact CB-OD2 3.26Å; T20-D23 WeakPolarHBondContact CB-OD2 3.41Å; T20-D23 WeakPolarHBondContact CG2-OD1 3.17Å; T20-D23 WeakPolarHBondContact O-CB 3.37Å; T20-D23 PolarHBondContact O-N 2.98Å; F21-D23 VanDerWaalsContact C-N 3.28Å; F21-D23 PolarHBondContact O-N 2.92Å |
| 24 | Y | 93.6 | Very high | 93.4 | Very high | 48 Ų | 48 | 54.7 Ų | 54.7 | 19% | 0.188 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -133.2 | 135.9 | -172.6 | -62 | -84.8 | 0 | 0 | 0 | 112.2 | Y19 T22 T45 F91 Y92 | Y19-Y24 AromaticContact CD2-CD2 3.39Å; Y19-Y24 HydrophobicContact CD2-CD2 3.39Å; Y19-Y24 AromaticContact CD2-CE2 3.76Å; Y19-Y24 HydrophobicContact CD2-CE2 3.76Å; Y19-Y24 HydrophobicContact CD2-CG 4.42Å; Y19-Y24 AromaticContact CE2-CD2 3.66Å; Y19-Y24 HydrophobicContact CE2-CD2 3.66Å; Y19-Y24 HydrophobicContact CE2-CE2 4.45Å; Y19-Y24 HydrophobicContact CE2-CG 4.33Å; Y19-Y24 HydrophobicContact CG-CD2 4.38Å; Y19-Y24 HydrophobicContact CG-CE2 4.41Å; T22-Y24 PolarHBondContact O-N 2.79Å; Y24-T45 WeakPolarHBondContact O-CB 3.47Å; Y24-T45 WeakPolarHBondContact O-CG2 3.25Å; Y24-T45 PolarHBondContact O-OG1 3.09Å; Y24-F91 VanDerWaalsContact CD1-O 3.32Å; Y24-F91 WeakPolarHBondContact CD1-O 3.32Å; Y24-Y92 AromaticContact CE1-CD2 3.55Å; Y24-Y92 HydrophobicContact CE1-CD2 3.55Å; Y24-Y92 HydrophobicContact CE1-CE2 4.47Å; Y24-Y92 HydrophobicContact CE1-CG 4.11Å; Y24-Y92 AromaticContact CZ-CD2 3.61Å; Y24-Y92 WeakPolarHBondContact OH-CD2 3.32Å; Y24-Y92 WeakPolarHBondContact OH-CE2 3.45Å |
| 25 | A | 96.1 | Very high | 92.1 | Very high | 40 Ų | 40 | 62.3 Ų | 62.3 | 33% | 0.331 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 148.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | V42 I43 | A25-V42 HydrophobicContact CB-CG2 3.55Å; A25-I43 CarbonylContact C-O 3.52Å; A25-I43 WeakPolarHBondContact CA-O 3.49Å |
| 26 | M | 97.6 | Very high | 91.6 | Very high | 4 Ų | 4 | 57.8 Ų | 57.8 | 2% | 0.02 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 118.5 | 176.8 | -170.3 | 65.7 | 70.1 | 0 | 0 | 109.9 | F21 V42 I43 T45 A71 C88 | F21-M26 HydrophobicContact CE2-CE 3.86Å; M26-V42 CarbonylContact O-C 3.45Å; M26-V42 WeakPolarHBondContact O-CA 3.44Å; M26-I43 HydrophobicContact CB-CG2 3.94Å; M26-I43 PolarHBondContact N-O 3.02Å; M26-I43 PolarHBondContact O-N 3.09Å; M26-T45 HydrophobicContact CB-CG2 4.19Å; M26-A71 HydrophobicContact CB-CB 4.01Å; M26-A71 HydrophobicContact CG-CB 3.83Å; M26-C88 HydrophobicContact CG-CB 4.21Å; M26-C88 HydrophobicContact SD-CB 3.72Å |
| 27 | H | 97.6 | Very high | 91.6 | Very high | 61 Ų | 61 | 62 Ų | 62 | 28% | 0.282 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 144.9 | 175.4 | -65 | -105.2 | 0 | 0 | 0 | 110.3 | W39 G41 C88 A89 | H27-W39 AromaticContact ND1-NE1 3.33Å; H27-W39 PolarHBondContact ND1-NE1 2.56Å; H27-G41 WeakPolarHBondContact CA-O 3.3Å; H27-C88 CarbonylContact O-C 3.58Å; H27-C88 WeakPolarHBondContact O-CA 3.49Å; H27-A89 WeakPolarHBondContact CB-O 3.3Å; H27-A89 PolarHBondContact N-O 3.12Å; H27-A89 PolarHBondContact O-N 2.77Å |
| 28 | W | 98.1 | Very high | 91.7 | Very high | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.008 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 135.1 | 173.6 | -67.5 | 92.8 | 0 | 0 | 0 | 110.6 | I12 C14 I40 G41 M62 A71 M73 Y87 C88 | I12-W28 HydrophobicContact CB-CH2 4.31Å; I12-W28 HydrophobicContact CB-CZ3 4.07Å; I12-W28 HydrophobicContact CG2-CH2 4.09Å; I12-W28 HydrophobicContact CG2-CZ3 3.69Å; I12-W28 WeakPolarHBondContact O-CH2 2.98Å; C14-W28 HydrophobicContact CB-CH2 3.72Å; C14-W28 HydrophobicContact CB-CZ2 4.02Å; C14-W28 HydrophobicContact CB-CZ3 4.49Å; W28-I40 HydrophobicContact CB-CB 4.18Å; W28-I40 HydrophobicContact CB-CD1 4.3Å; W28-I40 WeakPolarHBondContact O-CB 3.28Å; W28-I40 PolarHBondContact O-N 2.72Å; W28-G41 PolarHBondContact N-O 2.85Å; W28-M62 HydrophobicContact CB-CE 3.83Å; W28-M62 VanDerWaalsContact CD1-SD 3.55Å; W28-M62 HydrophobicContact CG-CE 3.99Å; W28-M62 HydrophobicContact CG-SD 4.43Å; W28-A71 HydrophobicContact CZ2-CB 4.28Å; W28-M73 HydrophobicContact CB-SD 3.79Å; W28-M73 HydrophobicContact CD2-CB 3.62Å; W28-M73 HydrophobicContact CD2-CE 4.36Å; W28-M73 HydrophobicContact CD2-CG 4.35Å; W28-M73 HydrophobicContact CD2-SD 4Å; W28-M73 HydrophobicContact CE3-CB 3.88Å; W28-M73 HydrophobicContact CE3-CE 3.83Å; W28-M73 HydrophobicContact CE3-SD 4.08Å; W28-M73 HydrophobicContact CG-CB 4.14Å; W28-M73 HydrophobicContact CG-CG 4.47Å; W28-M73 HydrophobicContact CG-SD 3.9Å; W28-M73 HydrophobicContact CH2-CB 4.04Å; W28-M73 HydrophobicContact CZ2-CB 3.81Å; W28-M73 HydrophobicContact CZ3-CB 4.08Å; W28-M73 HydrophobicContact CZ3-CE 4.33Å; W28-Y87 WeakPolarHBondContact CA-O 3.49Å; W28-C88 HydrophobicContact CD2-CB 4.45Å; W28-C88 HydrophobicContact CE3-CB 4.16Å; W28-C88 HydrophobicContact CH2-CB 4.3Å; W28-C88 HydrophobicContact CZ3-CB 4.09Å |
| 29 | V | 97.4 | Very high | 91.9 | Very high | 11 Ų | 11 | 59.8 Ų | 59.8 | 7% | 0.067 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 133 | -173.5 | -175.6 | 0 | 0 | 0 | 0 | 109.6 | L37 E38 Y86 Y87 W98 | V29-L37 HydrophobicContact CG1-CB 4.02Å; V29-L37 HydrophobicContact CG1-CD2 3.98Å; V29-E38 CarbonylContact C-O 3.6Å; V29-E38 WeakPolarHBondContact CA-O 3.04Å; V29-Y86 WeakPolarHBondContact O-CA 3.28Å; V29-Y87 PolarHBondContact N-O 3.4Å; V29-Y87 PolarHBondContact O-N 2.95Å; V29-W98 HydrophobicContact CB-CH2 4.33Å; V29-W98 HydrophobicContact CB-CZ3 3.92Å; V29-W98 HydrophobicContact CG1-CH2 4.27Å; V29-W98 HydrophobicContact CG1-CZ3 4.13Å; V29-W98 HydrophobicContact CG2-CH2 3.92Å; V29-W98 HydrophobicContact CG2-CZ3 3.85Å |
| 30 | K | 96.4 | Very high | 92.2 | Very high | 10 Ų | 10 | 57.2 Ų | 57.2 | 4% | 0.043 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 131.2 | 171.7 | -176.7 | -178 | -179.1 | -176.3 | 0 | 109.1 | L37 E38 I40 F56 E81 D82 A84 Y86 | K30-L37 WeakPolarHBondContact O-CA 3.23Å; K30-E38 HydrophobicContact CB-CB 4.37Å; K30-E38 PolarHBondContact N-O 3.09Å; K30-E38 PolarHBondContact O-N 2.93Å; K30-I40 HydrophobicContact CB-CD1 4Å; K30-I40 HydrophobicContact CB-CG1 4.13Å; K30-F56 HydrophobicContact CB-CZ 4.48Å; K30-F56 HydrophobicContact CD-CE1 4.07Å; K30-F56 HydrophobicContact CD-CZ 4.11Å; K30-E81 PolarHBondContact NZ-O 3.39Å; K30-D82 IonicContact NZ-OD1 2.72Å; K30-A84 HydrophobicContact CD-CB 4.16Å; K30-A84 HydrophobicContact CG-CB 3.56Å; K30-Y86 HydrophobicContact CB-CD1 4.18Å; K30-Y86 HydrophobicContact CB-CE1 3.93Å; K30-Y86 HydrophobicContact CD-CE1 4.1Å; K30-Y86 HydrophobicContact CG-CD1 4.33Å; K30-Y86 HydrophobicContact CG-CE1 3.78Å |
| 31 | Q | 95.9 | Very high | 92.3 | Very high | 55 Ų | 55 | 53.3 Ų | 53.3 | 26% | 0.257 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 106.4 | 167.5 | -170.6 | 179.1 | 43.4 | 0 | 0 | 109.4 | S36 L37 A84 V85 Y87 | Q31-S36 WeakPolarHBondContact CA-O 3.4Å; Q31-L37 HydrophobicContact CB-CD2 3.72Å; Q31-L37 HydrophobicContact CG-CD2 3.8Å; Q31-A84 WeakPolarHBondContact O-CA 3.45Å; Q31-A84 VanDerWaalsContact O-CB 3.25Å; Q31-A84 WeakPolarHBondContact O-CB 3.38Å; Q31-V85 HydrophobicContact CB-CB 4.45Å; Q31-V85 PolarHBondContact N-O 3.12Å; Q31-V85 PolarHBondContact O-N 2.89Å; Q31-V85 VanDerWaalsContact O-N 3.09Å; Q31-Y87 HydrophobicContact CB-CD2 4.21Å; Q31-Y87 HydrophobicContact CB-CE2 3.72Å; Q31-Y87 PolarHBondContact OE1-OH 2.58Å |
| 32 | S | 89 | Confident | 92.5 | Very high | 24 Ų | 24 | 54.3 Ų | 54.3 | 17% | 0.168 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 162.8 | 177.1 | 73.9 | 0 | 0 | 0 | 0 | 111.4 | A34 K35 S36 | S32-A34 PolarHBondContact O-N 3.38Å; S32-A34 VanDerWaalsContact O-N 3.09Å; S32-A34 PolarHBondContact OG-N 3.11Å; S32-K35 WeakPolarHBondContact O-CA 3.23Å; S32-K35 PolarHBondContact O-N 3.01Å; S32-S36 PolarHBondContact N-O 2.83Å; S32-S36 PolarHBondContact OG-OG 2.86Å |
| 33 | H | 79.1 | Confident | 92.6 | Very high | 153 Ų | 153 | 52.3 Ų | 52.3 | 71% | 0.708 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -22.5 | 176 | -71 | -167.5 | 0 | 0 | 0 | 113.2 | K35 | H33-K35 PolarHBondContact O-N 2.81Š|
| 34 | A | 75.6 | Confident | 92.7 | Very high | 87 Ų | 87 | 48.3 Ų | 48.3 | 72% | 0.719 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | 8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | S32 S36 | S32-A34 PolarHBondContact O-N 3.38Å; S32-A34 VanDerWaalsContact O-N 3.09Å; S32-A34 PolarHBondContact OG-N 3.11Å; A34-S36 PolarHBondContact O-N 2.89Å; A34-S36 VanDerWaalsContact O-N 3.15Å |
| 35 | K | 69.7 | Low | 92.9 | Very high | 174 Ų | 174 | 46.1 Ų | 46.1 | 76% | 0.757 | 25% | 0.246 | S | C | * | . | trans | 60.9 | 12.9 | -178.2 | -57.7 | -176.5 | 179.9 | -179.8 | 0 | 115.2 | S32 H33 | S32-K35 WeakPolarHBondContact O-CA 3.23Å; S32-K35 PolarHBondContact O-N 3.01Å; H33-K35 PolarHBondContact O-N 2.81Å | ||
| 36 | S | 87 | Confident | 92.9 | Very high | 56 Ų | 56 | 50.4 Ų | 50.4 | 39% | 0.392 | 26% | 0.255 | S | S | . | . | trans | -75.3 | 131.5 | 170 | 60.8 | 0 | 0 | 0 | 0 | 110.2 | Q31 S32 A34 | Q31-S36 WeakPolarHBondContact CA-O 3.4Å; S32-S36 PolarHBondContact N-O 2.83Å; S32-S36 PolarHBondContact OG-OG 2.86Å; A34-S36 PolarHBondContact O-N 2.89Å; A34-S36 VanDerWaalsContact O-N 3.15Å | ||
| 37 | L | 93.3 | Very high | 92.9 | Very high | 99 Ų | 99 | 58.8 Ų | 58.8 | 52% | 0.518 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 119.8 | 169.5 | -66.8 | 175.4 | 0 | 0 | 0 | 108.7 | V29 K30 Q31 W98 | V29-L37 HydrophobicContact CG1-CB 4.02Å; V29-L37 HydrophobicContact CG1-CD2 3.98Å; K30-L37 WeakPolarHBondContact O-CA 3.23Å; Q31-L37 HydrophobicContact CB-CD2 3.72Å; Q31-L37 HydrophobicContact CG-CD2 3.8Å; L37-W98 HydrophobicContact CD1-CH2 4.45Å |
| 38 | E | 95.3 | Very high | 92.8 | Very high | 43 Ų | 43 | 57.5 Ų | 57.5 | 20% | 0.201 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 117.3 | 176.8 | -56.7 | -172.7 | 83.9 | 0 | 0 | 109.1 | V29 K30 I40 K55 F56 | V29-E38 CarbonylContact C-O 3.6Å; V29-E38 WeakPolarHBondContact CA-O 3.04Å; K30-E38 HydrophobicContact CB-CB 4.37Å; K30-E38 PolarHBondContact N-O 3.09Å; K30-E38 PolarHBondContact O-N 2.93Å; E38-I40 PolarHBondContact O-N 3.24Å; E38-K55 IonicContact OE1-NZ 2.56Å; E38-K55 PolarHBondContact OE1-NZ 3.01Å; E38-K55 IonicContact OE2-NZ 2.62Å; E38-K55 PolarHBondContact OE2-NZ 2.9Å; E38-F56 HydrophobicContact CB-CE2 4.24Å; E38-F56 HydrophobicContact CB-CZ 4.22Å |
| 39 | W | 96.3 | Very high | 92.8 | Very high | 97 Ų | 97 | 61.9 Ų | 61.9 | 37% | 0.367 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 124.5 | 173.9 | -179.2 | 72 | 0 | 0 | 0 | 110 | H27 G41 V42 N53 | H27-W39 AromaticContact ND1-NE1 3.33Å; H27-W39 PolarHBondContact ND1-NE1 2.56Å; W39-G41 VanDerWaalsContact CE2-C 3.41Å; W39-G41 VanDerWaalsContact CE2-CA 3.48Å; W39-G41 PolarHBondContact NE1-O 2.82Å; W39-V42 HydrophobicContact CH2-CG1 4.39Å; W39-V42 HydrophobicContact CZ2-CB 3.84Å; W39-V42 HydrophobicContact CZ2-CG1 3.75Å; W39-N53 HydrophobicContact CE3-CB 3.87Å; W39-N53 HydrophobicContact CZ3-CB 4.06Å; W39-N53 WeakPolarHBondContact O-CB 2.98Å; W39-N53 PolarHBondContact O-ND2 3.37Å |
| 40 | I | 97.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -44.9 | -178.3 | -58.5 | 169.3 | 0 | 0 | 0 | 109.9 | W28 K30 E38 N53 F56 A60 M62 M73 Y86 | W28-I40 HydrophobicContact CB-CB 4.18Å; W28-I40 HydrophobicContact CB-CD1 4.3Å; W28-I40 WeakPolarHBondContact O-CB 3.28Å; W28-I40 PolarHBondContact O-N 2.72Å; K30-I40 HydrophobicContact CB-CD1 4Å; K30-I40 HydrophobicContact CB-CG1 4.13Å; E38-I40 PolarHBondContact O-N 3.24Å; I40-N53 WeakPolarHBondContact O-CB 3.4Å; I40-N53 PolarHBondContact O-N 3.12Å; I40-F56 HydrophobicContact CB-CD2 4.25Å; I40-F56 HydrophobicContact CB-CG 4.22Å; I40-F56 HydrophobicContact CG1-CD1 4.21Å; I40-F56 HydrophobicContact CG1-CD2 4.23Å; I40-F56 HydrophobicContact CG1-CE1 4.17Å; I40-F56 HydrophobicContact CG1-CE2 4.18Å; I40-F56 HydrophobicContact CG1-CG 4.23Å; I40-F56 HydrophobicContact CG1-CZ 4.15Å; I40-F56 HydrophobicContact CG2-CB 3.68Å; I40-F56 HydrophobicContact CG2-CD1 4.14Å; I40-F56 HydrophobicContact CG2-CD2 4.28Å; I40-F56 HydrophobicContact CG2-CG 3.78Å; I40-A60 HydrophobicContact CG2-CB 3.68Å; I40-M62 HydrophobicContact CB-CE 4.34Å; I40-M62 HydrophobicContact CG2-CE 3.77Å; I40-M73 HydrophobicContact CD1-CE 3.97Å; I40-M73 HydrophobicContact CD1-SD 3.63Å; I40-M73 HydrophobicContact CG2-SD 3.92Å; I40-Y86 HydrophobicContact CD1-CD1 3.73Å; I40-Y86 HydrophobicContact CD1-CE1 3.88Å |
| 41 | G | 97.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.2 | -177.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | H27 W28 W39 S51 | H27-G41 WeakPolarHBondContact CA-O 3.3Å; W28-G41 PolarHBondContact N-O 2.85Å; W39-G41 VanDerWaalsContact CE2-C 3.41Å; W39-G41 VanDerWaalsContact CE2-CA 3.48Å; W39-G41 PolarHBondContact NE1-O 2.82Å; G41-S51 CarbonylContact C-O 3.48Å; G41-S51 WeakPolarHBondContact CA-O 3.33Å |
| 42 | V | 98 | Very high | 92.9 | Very high | 27 Ų | 27 | 66.1 Ų | 66.1 | 16% | 0.164 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 142.1 | 177.3 | 64.1 | 0 | 0 | 0 | 0 | 109.3 | A25 M26 W39 A50 S51 | A25-V42 HydrophobicContact CB-CG2 3.55Å; M26-V42 CarbonylContact O-C 3.45Å; M26-V42 WeakPolarHBondContact O-CA 3.44Å; W39-V42 HydrophobicContact CH2-CG1 4.39Å; W39-V42 HydrophobicContact CZ2-CB 3.84Å; W39-V42 HydrophobicContact CZ2-CG1 3.75Å; V42-A50 CarbonylContact O-C 3.58Å; V42-A50 VanDerWaalsContact O-CA 3.3Å; V42-A50 WeakPolarHBondContact O-CA 3.47Å; V42-S51 PolarHBondContact N-O 2.59Å; V42-S51 PolarHBondContact O-N 2.78Å |
| 43 | I | 98.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 131.5 | 171.3 | -176.2 | 166 | 0 | 0 | 0 | 110.2 | A25 M26 T45 D49 A50 M62 V64 A71 | A25-I43 CarbonylContact C-O 3.52Å; A25-I43 WeakPolarHBondContact CA-O 3.49Å; M26-I43 HydrophobicContact CB-CG2 3.94Å; M26-I43 PolarHBondContact N-O 3.02Å; M26-I43 PolarHBondContact O-N 3.09Å; I43-T45 PolarHBondContact O-N 2.76Å; I43-D49 WeakPolarHBondContact CA-O 3.41Å; I43-A50 HydrophobicContact CB-CB 4.24Å; I43-A50 HydrophobicContact CG1-CB 4.31Å; I43-M62 HydrophobicContact CB-CB 4.01Å; I43-M62 HydrophobicContact CB-SD 4.33Å; I43-M62 HydrophobicContact CD1-CB 3.91Å; I43-M62 HydrophobicContact CG1-CB 4.5Å; I43-M62 HydrophobicContact CG2-CB 4.31Å; I43-V64 HydrophobicContact CD1-CB 4.2Å; I43-V64 HydrophobicContact CD1-CG1 4.48Å; I43-A71 HydrophobicContact CG2-CB 4.49Å |
| 44 | S | 97.6 | Very high | 94.1 | Very high | 24 Ų | 24 | 68.7 Ų | 68.7 | 17% | 0.168 | 36% | 0.355 | C | S | . | . | trans | -68.6 | 118.1 | 168.5 | 178.2 | 0 | 0 | 0 | 0 | 109.2 | Y46 Y47 G48 D49 | S44-Y46 VanDerWaalsContact C-N 3.27Å; S44-Y46 PolarHBondContact O-N 3.22Å; S44-Y47 WeakPolarHBondContact OG-CB 3.41Å; S44-Y47 WeakPolarHBondContact OG-CD2 3.41Å; S44-Y47 PolarHBondContact OG-N 3.44Å; S44-G48 WeakPolarHBondContact O-CA 3.42Å; S44-G48 PolarHBondContact O-N 3.5Å; S44-D49 WeakPolarHBondContact CB-OD1 3.45Å; S44-D49 PolarHBondContact N-O 2.63Å | ||
| 45 | T | 97 | Very high | 95 | Very high | 1 Ų | 1 | 70.8 Ų | 70.8 | 1% | 0.006 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -21.2 | 178 | 57.6 | 0 | 0 | 0 | 0 | 112.3 | F21 T22 Y24 M26 I43 V64 K66 | F21-T45 HydrophobicContact CD1-CG2 4.42Å; F21-T45 HydrophobicContact CD2-CG2 4.43Å; F21-T45 HydrophobicContact CE1-CG2 3.87Å; F21-T45 HydrophobicContact CE2-CG2 3.86Å; F21-T45 HydrophobicContact CZ-CG2 3.54Å; F21-T45 PolarHBondContact O-OG1 3.23Å; T22-T45 VanDerWaalsContact CA-OG1 3.28Å; T22-T45 WeakPolarHBondContact CA-OG1 3.48Å; T22-T45 PolarHBondContact O-OG1 2.84Å; Y24-T45 WeakPolarHBondContact O-CB 3.47Å; Y24-T45 WeakPolarHBondContact O-CG2 3.25Å; Y24-T45 PolarHBondContact O-OG1 3.09Å; M26-T45 HydrophobicContact CB-CG2 4.19Å; I43-T45 PolarHBondContact O-N 2.76Å; T45-V64 HydrophobicContact CG2-CG2 4.43Å; T45-K66 VanDerWaalsContact O-CE 3.24Å; T45-K66 WeakPolarHBondContact O-CE 3.47Å |
| 46 | Y | 96.7 | Very high | 96.2 | Very high | 130 Ų | 130 | 62.7 Ų | 62.7 | 51% | 0.51 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -51.5 | 174.7 | -173.8 | -96 | 0 | 0 | 0 | 112.3 | T22 S44 K66 | T22-Y46 WeakPolarHBondContact O-CB 3.41Å; S44-Y46 VanDerWaalsContact C-N 3.27Å; S44-Y46 PolarHBondContact O-N 3.22Å; Y46-K66 WeakPolarHBondContact O-CE 3.21Å; Y46-K66 PolarHBondContact O-NZ 2.62Å |
| 47 | Y | 96.9 | Very high | 96.5 | Very high | 181 Ų | 181 | 66.6 Ų | 66.6 | 71% | 0.71 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -26.2 | -174.6 | -64.8 | -66.8 | 0 | 0 | 0 | 113 | S44 D49 | S44-Y47 WeakPolarHBondContact OG-CB 3.41Å; S44-Y47 WeakPolarHBondContact OG-CD2 3.41Å; S44-Y47 PolarHBondContact OG-N 3.44Å; Y47-D49 VanDerWaalsContact C-N 3.29Å; Y47-D49 WeakPolarHBondContact CB-OD1 3.31Å |
| 48 | G | 96.1 | Very high | 96.6 | Very high | 34 Ų | 34 | 68.5 Ų | 68.5 | 35% | 0.351 | 33% | 0.333 | S | S | . | . | trans | 81.6 | 1.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | S44 | S44-G48 WeakPolarHBondContact O-CA 3.42Å; S44-G48 PolarHBondContact O-N 3.5Å | ||
| 49 | D | 96.8 | Very high | 96.6 | Very high | 93 Ų | 93 | 68.6 Ų | 68.6 | 50% | 0.497 | 33% | 0.333 | S | S | . | . | trans | -78.6 | 146.2 | 174 | 67.9 | -65.4 | 0 | 0 | 0 | 111.3 | I43 S44 Y47 | I43-D49 WeakPolarHBondContact CA-O 3.41Å; S44-D49 WeakPolarHBondContact CB-OD1 3.45Å; S44-D49 PolarHBondContact N-O 2.63Å; Y47-D49 VanDerWaalsContact C-N 3.29Å; Y47-D49 WeakPolarHBondContact CB-OD1 3.31Å | ||
| 50 | A | 97.7 | Very high | 96.7 | Very high | 31 Ų | 31 | 64.1 Ų | 64.1 | 26% | 0.256 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 140.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | V42 I43 Y52 M62 | V42-A50 CarbonylContact O-C 3.58Å; V42-A50 VanDerWaalsContact O-CA 3.3Å; V42-A50 WeakPolarHBondContact O-CA 3.47Å; I43-A50 HydrophobicContact CB-CB 4.24Å; I43-A50 HydrophobicContact CG1-CB 4.31Å; A50-Y52 HydrophobicContact CB-CE2 3.65Å; A50-Y52 WeakPolarHBondContact CB-OH 3.31Å; A50-M62 HydrophobicContact CB-CB 4.07Å |
| 51 | S | 97.9 | Very high | 96.7 | Very high | 66 Ų | 66 | 67.7 Ų | 67.7 | 46% | 0.462 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 138.8 | 171.9 | -70.5 | 0 | 0 | 0 | 0 | 109.6 | G41 V42 | G41-S51 CarbonylContact C-O 3.48Å; G41-S51 WeakPolarHBondContact CA-O 3.33Å; V42-S51 PolarHBondContact N-O 2.59Å; V42-S51 PolarHBondContact O-N 2.78Å |
| 52 | Y | 98.1 | Very high | 96.7 | Very high | 69 Ų | 69 | 68.2 Ų | 68.2 | 27% | 0.271 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 147.2 | -171.9 | -59.4 | -91.1 | 0 | 0 | 0 | 111.1 | A50 A60 M62 | A50-Y52 HydrophobicContact CB-CE2 3.65Å; A50-Y52 WeakPolarHBondContact CB-OH 3.31Å; Y52-A60 HydrophobicContact CD1-CB 4.29Å; Y52-A60 HydrophobicContact CE1-CB 4.19Å; Y52-A60 WeakPolarHBondContact CE1-O 3.43Å; Y52-M62 HydrophobicContact CD1-CE 4.11Å; Y52-M62 HydrophobicContact CE1-CB 4.47Å; Y52-M62 HydrophobicContact CE1-CE 4Å; Y52-M62 HydrophobicContact CE1-CG 3.88Å; Y52-M62 HydrophobicContact CE1-SD 4.06Å; Y52-M62 PolarHBondContact OH-N 2.97Å |
| 53 | N | 96.8 | Very high | 96.7 | Very high | 55 Ų | 55 | 70 Ų | 70 | 29% | 0.294 | 35% | 0.353 | S | S | . | . | trans | -66.8 | 138.2 | 158.5 | -179.6 | -28.1 | 0 | 0 | 0 | 109 | W39 I40 K55 F56 K57 | W39-N53 HydrophobicContact CE3-CB 3.87Å; W39-N53 HydrophobicContact CZ3-CB 4.06Å; W39-N53 WeakPolarHBondContact O-CB 2.98Å; W39-N53 PolarHBondContact O-ND2 3.37Å; I40-N53 WeakPolarHBondContact O-CB 3.4Å; I40-N53 PolarHBondContact O-N 3.12Å; N53-K55 PolarHBondContact O-N 3.21Å; N53-K55 VanDerWaalsContact O-N 3.11Å; N53-K55 PolarHBondContact OD1-N 2.8Å; N53-F56 HydrophobicContact CB-CD2 4.09Å; N53-F56 PolarHBondContact O-N 3.33Å; N53-K57 PolarHBondContact O-N 2.84Å | ||
| 54 | Q | 95.9 | Very high | 96.7 | Very high | 176 Ų | 176 | 71.8 Ų | 71.8 | 82% | 0.822 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -54.3 | -33.4 | -177.5 | -168.1 | 162.6 | 9.1 | 0 | 0 | 113.2 | F56 | Q54-F56 PolarHBondContact O-N 2.95Š|
| 55 | K | 93.3 | Very high | 96.7 | Very high | 131 Ų | 131 | 73.1 Ų | 73.1 | 57% | 0.57 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -61.4 | -27.9 | 176.5 | -173.2 | 179.4 | 179.9 | -178.1 | 0 | 113.5 | E38 N53 | E38-K55 IonicContact OE1-NZ 2.56Å; E38-K55 PolarHBondContact OE1-NZ 3.01Å; E38-K55 IonicContact OE2-NZ 2.62Å; E38-K55 PolarHBondContact OE2-NZ 2.9Å; N53-K55 PolarHBondContact O-N 3.21Å; N53-K55 VanDerWaalsContact O-N 3.11Å; N53-K55 PolarHBondContact OD1-N 2.8Å |
| 56 | F | 95.4 | Very high | 96.7 | Very high | 4 Ų | 4 | 78.2 Ų | 78.2 | 2% | 0.018 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -112.8 | -2.7 | -172.2 | -61.8 | -83 | 0 | 0 | 0 | 113.6 | K30 E38 I40 N53 Q54 D58 K59 A60 | K30-F56 HydrophobicContact CB-CZ 4.48Å; K30-F56 HydrophobicContact CD-CE1 4.07Å; K30-F56 HydrophobicContact CD-CZ 4.11Å; E38-F56 HydrophobicContact CB-CE2 4.24Å; E38-F56 HydrophobicContact CB-CZ 4.22Å; I40-F56 HydrophobicContact CB-CD2 4.25Å; I40-F56 HydrophobicContact CB-CG 4.22Å; I40-F56 HydrophobicContact CG1-CD1 4.21Å; I40-F56 HydrophobicContact CG1-CD2 4.23Å; I40-F56 HydrophobicContact CG1-CE1 4.17Å; I40-F56 HydrophobicContact CG1-CE2 4.18Å; I40-F56 HydrophobicContact CG1-CG 4.23Å; I40-F56 HydrophobicContact CG1-CZ 4.15Å; I40-F56 HydrophobicContact CG2-CB 3.68Å; I40-F56 HydrophobicContact CG2-CD1 4.14Å; I40-F56 HydrophobicContact CG2-CD2 4.28Å; I40-F56 HydrophobicContact CG2-CG 3.78Å; N53-F56 HydrophobicContact CB-CD2 4.09Å; N53-F56 PolarHBondContact O-N 3.33Å; Q54-F56 PolarHBondContact O-N 2.95Å; F56-D58 VanDerWaalsContact C-N 3.28Å; F56-D58 PolarHBondContact O-N 2.78Å; F56-K59 PolarHBondContact O-N 2.87Å; F56-A60 HydrophobicContact CB-CB 4.3Å; F56-A60 PolarHBondContact O-N 2.83Å |
| 57 | K | 94.5 | Very high | 96.6 | Very high | 138 Ų | 138 | 77.3 Ų | 77.3 | 60% | 0.6 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -37.6 | -172.6 | -170.7 | 177.6 | 179.8 | -177.5 | 0 | 113.7 | N53 K59 | N53-K57 PolarHBondContact O-N 2.84Å; K57-K59 VanDerWaalsContact C-N 3.35Å |
| 58 | D | 94.6 | Very high | 96.6 | Very high | 138 Ų | 138 | 70.4 Ų | 70.4 | 74% | 0.738 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | 3.6 | -179.4 | -56.7 | -39.2 | 0 | 0 | 0 | 113.2 | F56 | F56-D58 VanDerWaalsContact C-N 3.28Å; F56-D58 PolarHBondContact O-N 2.78Å |
| 59 | K | 95.6 | Very high | 96.7 | Very high | 46 Ų | 46 | 70.8 Ų | 70.8 | 20% | 0.2 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.1 | -39.3 | -171.9 | -162.9 | 166.4 | -161.9 | 166.4 | 0 | 113.4 | F56 K57 L75 A76 D82 | F56-K59 PolarHBondContact O-N 2.87Å; K57-K59 VanDerWaalsContact C-N 3.35Å; K59-L75 WeakPolarHBondContact O-CA 3.19Å; K59-A76 PolarHBondContact O-N 3.25Å; K59-D82 VanDerWaalsContact CE-CG 3.47Å; K59-D82 VanDerWaalsContact CE-OD1 3.28Å; K59-D82 WeakPolarHBondContact CE-OD1 3.01Å; K59-D82 WeakPolarHBondContact CE-OD2 3.48Å; K59-D82 IonicContact NZ-OD1 3.39Å; K59-D82 PolarHBondContact NZ-OD1 3.11Å; K59-D82 IonicContact NZ-OD2 3.81Å; K59-D82 PolarHBondContact NZ-OD2 3.07Å |
| 60 | A | 97.6 | Very high | 96.7 | Very high | 2 Ų | 2 | 66.8 Ų | 66.8 | 2% | 0.017 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 135.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | I40 Y52 F56 M73 E74 L75 | I40-A60 HydrophobicContact CG2-CB 3.68Å; Y52-A60 HydrophobicContact CD1-CB 4.29Å; Y52-A60 HydrophobicContact CE1-CB 4.19Å; Y52-A60 WeakPolarHBondContact CE1-O 3.43Å; F56-A60 HydrophobicContact CB-CB 4.3Å; F56-A60 PolarHBondContact O-N 2.83Å; A60-M73 HydrophobicContact CB-CG 4.35Å; A60-M73 HydrophobicContact CB-SD 4.44Å; A60-E74 CarbonylContact C-O 3.52Å; A60-E74 VanDerWaalsContact CA-O 3.31Å; A60-E74 WeakPolarHBondContact CA-O 3.47Å; A60-L75 HydrophobicContact CB-CD2 4.04Å |
| 61 | T | 98.2 | Very high | 96.8 | Very high | 75 Ų | 75 | 65.3 Ų | 65.3 | 46% | 0.46 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 122.4 | 168.1 | -63.8 | 0 | 0 | 0 | 0 | 108.7 | T63 M73 E74 | T61-T63 HydrophobicContact CG2-CG2 4.5Å; T61-M73 CarbonylContact O-C 3.54Å; T61-M73 WeakPolarHBondContact O-CA 3.46Å; T61-E74 PolarHBondContact N-O 3.21Å; T61-E74 PolarHBondContact O-N 2.83Å |
| 62 | M | 98.5 | Very high | 96.8 | Very high | 11 Ų | 11 | 64.6 Ų | 64.6 | 5% | 0.054 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 136.9 | -180 | -62 | 175.8 | -172.4 | 0 | 0 | 110.6 | W28 I40 I43 A50 Y52 Y72 M73 | W28-M62 HydrophobicContact CB-CE 3.83Å; W28-M62 VanDerWaalsContact CD1-SD 3.55Å; W28-M62 HydrophobicContact CG-CE 3.99Å; W28-M62 HydrophobicContact CG-SD 4.43Å; I40-M62 HydrophobicContact CB-CE 4.34Å; I40-M62 HydrophobicContact CG2-CE 3.77Å; I43-M62 HydrophobicContact CB-CB 4.01Å; I43-M62 HydrophobicContact CB-SD 4.33Å; I43-M62 HydrophobicContact CD1-CB 3.91Å; I43-M62 HydrophobicContact CG1-CB 4.5Å; I43-M62 HydrophobicContact CG2-CB 4.31Å; A50-M62 HydrophobicContact CB-CB 4.07Å; Y52-M62 HydrophobicContact CD1-CE 4.11Å; Y52-M62 HydrophobicContact CE1-CB 4.47Å; Y52-M62 HydrophobicContact CE1-CE 4Å; Y52-M62 HydrophobicContact CE1-CG 3.88Å; Y52-M62 HydrophobicContact CE1-SD 4.06Å; Y52-M62 PolarHBondContact OH-N 2.97Å; M62-Y72 WeakPolarHBondContact CA-O 3.33Å; M62-M73 HydrophobicContact CE-SD 4.41Å; M62-M73 HydrophobicContact CG-CG 4.41Å |
| 63 | T | 98.3 | Very high | 96.8 | Very high | 66 Ų | 66 | 61.3 Ų | 61.3 | 41% | 0.405 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 161.8 | 176.3 | 56.5 | 0 | 0 | 0 | 0 | 110.7 | T61 Y72 | T61-T63 HydrophobicContact CG2-CG2 4.5Å; T63-Y72 PolarHBondContact N-O 2.03Å; T63-Y72 PolarHBondContact O-N 2.84Å |
| 64 | V | 98.1 | Very high | 96.8 | Very high | 37 Ų | 37 | 62.7 Ų | 62.7 | 22% | 0.224 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 134.4 | 179.1 | 68.2 | 0 | 0 | 0 | 0 | 110.7 | F21 I43 T45 K66 | F21-V64 HydrophobicContact CE1-CG2 3.41Å; F21-V64 VanDerWaalsContact CE1-CG2 3.41Å; F21-V64 HydrophobicContact CZ-CG2 3.84Å; I43-V64 HydrophobicContact CD1-CB 4.2Å; I43-V64 HydrophobicContact CD1-CG1 4.48Å; T45-V64 HydrophobicContact CG2-CG2 4.43Å; V64-K66 HydrophobicContact CG2-CG 4.45Å |
| 65 | D | 97.5 | Very high | 96.9 | Very high | 51 Ų | 51 | 54.4 Ų | 54.4 | 27% | 0.273 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 103.4 | 167 | 176.4 | 6.9 | 0 | 0 | 0 | 108.7 | S67 S68 S69 T70 Y72 | D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 PolarHBondContact O-N 2.86Å; D65-S67 WeakPolarHBondContact OD1-CB 3.25Å; D65-S67 PolarHBondContact OD1-N 2.83Å; D65-S67 PolarHBondContact OD1-OG 3.17Å; D65-S67 PolarHBondContact OD2-OG 3.49Å; D65-S68 PolarHBondContact OD1-N 3.15Å; D65-S68 VanDerWaalsContact OD2-CB 3.31Å; D65-S68 WeakPolarHBondContact OD2-CB 3.43Å; D65-S68 PolarHBondContact OD2-OG 2.94Å; D65-S69 PolarHBondContact O-N 2.81Å; D65-S69 VanDerWaalsContact O-N 3.15Å; D65-T70 PolarHBondContact N-O 2.88Å; D65-T70 PolarHBondContact O-N 2.79Å; D65-Y72 HydrophobicContact CB-CE2 3.85Å |
| 66 | K | 95.8 | Very high | 97 | Very high | 109 Ų | 109 | 49.3 Ų | 49.3 | 47% | 0.474 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -28.2 | -179 | -61.8 | 175.6 | -177.6 | 174.5 | 0 | 112.2 | T22 T45 Y46 V64 S68 S69 | T22-K66 HydrophobicContact CG2-CG 4.44Å; T45-K66 VanDerWaalsContact O-CE 3.24Å; T45-K66 WeakPolarHBondContact O-CE 3.47Å; Y46-K66 WeakPolarHBondContact O-CE 3.21Å; Y46-K66 PolarHBondContact O-NZ 2.62Å; V64-K66 HydrophobicContact CG2-CG 4.45Å; K66-S68 VanDerWaalsContact C-N 3.34Å; K66-S69 PolarHBondContact O-N 3.39Å |
| 67 | S | 95.4 | Very high | 97 | Very high | 111 Ų | 111 | 57.6 Ų | 57.6 | 78% | 0.776 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -35.4 | -177.2 | 73 | 0 | 0 | 0 | 0 | 111.9 | D65 | D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 PolarHBondContact O-N 2.86Å; D65-S67 WeakPolarHBondContact OD1-CB 3.25Å; D65-S67 PolarHBondContact OD1-N 2.83Å; D65-S67 PolarHBondContact OD1-OG 3.17Å; D65-S67 PolarHBondContact OD2-OG 3.49Å |
| 68 | S | 96.9 | Very high | 97 | Very high | 36 Ų | 36 | 51 Ų | 51 | 25% | 0.252 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 3.6 | 177.9 | 68.2 | 0 | 0 | 0 | 0 | 113.5 | D65 K66 T70 | D65-S68 PolarHBondContact OD1-N 3.15Å; D65-S68 VanDerWaalsContact OD2-CB 3.31Å; D65-S68 WeakPolarHBondContact OD2-CB 3.43Å; D65-S68 PolarHBondContact OD2-OG 2.94Å; K66-S68 VanDerWaalsContact C-N 3.34Å; S68-T70 PolarHBondContact O-N 3.48Å; S68-T70 PolarHBondContact O-OG1 3.39Å; S68-T70 WeakPolarHBondContact OG-CB 3.49Å; S68-T70 PolarHBondContact OG-OG1 3.15Å |
| 69 | S | 97.3 | Very high | 97 | Very high | 41 Ų | 41 | 47.1 Ų | 47.1 | 29% | 0.287 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52 | 42 | -174.4 | -64.3 | 0 | 0 | 0 | 0 | 112.9 | G16 F21 D65 K66 | G16-S69 PolarHBondContact N-O 2.81Å; F21-S69 WeakPolarHBondContact CE2-O 3.39Å; D65-S69 PolarHBondContact O-N 2.81Å; D65-S69 VanDerWaalsContact O-N 3.15Å; K66-S69 PolarHBondContact O-N 3.39Å |
| 70 | T | 98.1 | Very high | 96.8 | Very high | 10 Ų | 10 | 49 Ų | 49 | 6% | 0.061 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 128.3 | -172.9 | -54.5 | 0 | 0 | 0 | 0 | 111.3 | C14 D65 S68 Y72 | C14-T70 WeakPolarHBondContact O-CA 3.21Å; D65-T70 PolarHBondContact N-O 2.88Å; D65-T70 PolarHBondContact O-N 2.79Å; S68-T70 PolarHBondContact O-N 3.48Å; S68-T70 PolarHBondContact O-OG1 3.39Å; S68-T70 WeakPolarHBondContact OG-CB 3.49Å; S68-T70 PolarHBondContact OG-OG1 3.15Å; T70-Y72 HydrophobicContact CG2-CD1 4.2Å; T70-Y72 HydrophobicContact CG2-CD2 4.34Å; T70-Y72 HydrophobicContact CG2-CE1 3.64Å; T70-Y72 HydrophobicContact CG2-CE2 3.78Å |
| 71 | A | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 146.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | S13 C14 F21 M26 W28 I43 | S13-A71 CarbonylContact C-O 3.5Å; C14-A71 PolarHBondContact N-O 2.93Å; C14-A71 PolarHBondContact O-N 2.82Å; F21-A71 HydrophobicContact CZ-CB 4.07Å; M26-A71 HydrophobicContact CB-CB 4.01Å; M26-A71 HydrophobicContact CG-CB 3.83Å; W28-A71 HydrophobicContact CZ2-CB 4.28Å; I43-A71 HydrophobicContact CG2-CB 4.49Å |
| 72 | Y | 98.3 | Very high | 96.1 | Very high | 51 Ų | 51 | 53.2 Ų | 53.2 | 20% | 0.2 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 147.7 | 176.1 | -55 | -88.9 | 0 | 0 | 0 | 111 | K11 I12 S13 M62 T63 D65 T70 | K11-Y72 HydrophobicContact CD-CD1 4.29Å; K11-Y72 HydrophobicContact CG-CD1 4.27Å; I12-Y72 CarbonylContact O-C 3.43Å; I12-Y72 VanDerWaalsContact O-CA 3.23Å; I12-Y72 WeakPolarHBondContact O-CA 3.42Å; S13-Y72 VanDerWaalsContact CB-CE1 3.5Å; M62-Y72 WeakPolarHBondContact CA-O 3.33Å; T63-Y72 PolarHBondContact N-O 2.03Å; T63-Y72 PolarHBondContact O-N 2.84Å; D65-Y72 HydrophobicContact CB-CE2 3.85Å; T70-Y72 HydrophobicContact CG2-CD1 4.2Å; T70-Y72 HydrophobicContact CG2-CD2 4.34Å; T70-Y72 HydrophobicContact CG2-CE1 3.64Å; T70-Y72 HydrophobicContact CG2-CE2 3.78Å |
| 73 | M | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 118.8 | 166.8 | -180 | -173.4 | 66.1 | 0 | 0 | 108.5 | I12 W28 I40 A60 T61 M62 L75 Y86 | I12-M73 HydrophobicContact CD1-CE 3.8Å; I12-M73 HydrophobicContact CG1-CE 4.46Å; I12-M73 PolarHBondContact N-O 2.99Å; I12-M73 PolarHBondContact O-N 2.95Å; W28-M73 HydrophobicContact CB-SD 3.79Å; W28-M73 HydrophobicContact CD2-CB 3.62Å; W28-M73 HydrophobicContact CD2-CE 4.36Å; W28-M73 HydrophobicContact CD2-CG 4.35Å; W28-M73 HydrophobicContact CD2-SD 4Å; W28-M73 HydrophobicContact CE3-CB 3.88Å; W28-M73 HydrophobicContact CE3-CE 3.83Å; W28-M73 HydrophobicContact CE3-SD 4.08Å; W28-M73 HydrophobicContact CG-CB 4.14Å; W28-M73 HydrophobicContact CG-CG 4.47Å; W28-M73 HydrophobicContact CG-SD 3.9Å; W28-M73 HydrophobicContact CH2-CB 4.04Å; W28-M73 HydrophobicContact CZ2-CB 3.81Å; W28-M73 HydrophobicContact CZ3-CB 4.08Å; W28-M73 HydrophobicContact CZ3-CE 4.33Å; I40-M73 HydrophobicContact CD1-CE 3.97Å; I40-M73 HydrophobicContact CD1-SD 3.63Å; I40-M73 HydrophobicContact CG2-SD 3.92Å; A60-M73 HydrophobicContact CB-CG 4.35Å; A60-M73 HydrophobicContact CB-SD 4.44Å; T61-M73 CarbonylContact O-C 3.54Å; T61-M73 WeakPolarHBondContact O-CA 3.46Å; M62-M73 HydrophobicContact CE-SD 4.41Å; M62-M73 HydrophobicContact CG-CG 4.41Å; M73-L75 HydrophobicContact CE-CD1 3.79Å; M73-L75 HydrophobicContact CE-CD2 4.1Å; M73-L75 HydrophobicContact CE-CG 3.88Å; M73-L75 HydrophobicContact CG-CD2 4.49Å; M73-L75 HydrophobicContact CG-CG 4.5Å; M73-L75 HydrophobicContact SD-CD2 4.11Å; M73-L75 HydrophobicContact SD-CG 4.41Å; M73-Y86 HydrophobicContact CE-CD1 3.72Å; M73-Y86 HydrophobicContact CE-CE1 4.31Å; M73-Y86 HydrophobicContact CE-CG 4.3Å |
| 74 | E | 98 | Very high | 95.8 | Very high | 84 Ų | 84 | 50.5 Ų | 50.5 | 39% | 0.393 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 128.3 | 169 | -172.2 | 175.1 | 173 | 0 | 0 | 109.5 | V10 A60 T61 | V10-E74 CarbonylContact O-C 3.54Å; V10-E74 VanDerWaalsContact O-CA 3.23Å; V10-E74 WeakPolarHBondContact O-CA 3.49Å; A60-E74 CarbonylContact C-O 3.52Å; A60-E74 VanDerWaalsContact CA-O 3.31Å; A60-E74 WeakPolarHBondContact CA-O 3.47Å; T61-E74 PolarHBondContact N-O 3.21Å; T61-E74 PolarHBondContact O-N 2.83Å |
| 75 | L | 96.8 | Very high | 95.8 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 118 | 172.6 | -64.6 | 164.3 | 0 | 0 | 0 | 108.4 | S9 V10 I12 K59 A60 M73 L78 Y86 | S9-L75 CarbonylContact C-O 3.59Å; S9-L75 WeakPolarHBondContact CA-O 3.49Å; S9-L75 WeakPolarHBondContact CB-O 3.45Å; V10-L75 HydrophobicContact CG1-CB 3.96Å; V10-L75 HydrophobicContact CG1-CD1 4.14Å; V10-L75 PolarHBondContact N-O 3.1Å; V10-L75 PolarHBondContact O-N 3.18Å; I12-L75 HydrophobicContact CD1-CD1 4.17Å; K59-L75 WeakPolarHBondContact O-CA 3.19Å; A60-L75 HydrophobicContact CB-CD2 4.04Å; M73-L75 HydrophobicContact CE-CD1 3.79Å; M73-L75 HydrophobicContact CE-CD2 4.1Å; M73-L75 HydrophobicContact CE-CG 3.88Å; M73-L75 HydrophobicContact CG-CD2 4.49Å; M73-L75 HydrophobicContact CG-CG 4.5Å; M73-L75 HydrophobicContact SD-CD2 4.11Å; M73-L75 HydrophobicContact SD-CG 4.41Å; L75-L78 HydrophobicContact CB-CD2 3.8Å; L75-L78 HydrophobicContact CD1-CD2 4.35Å; L75-Y86 HydrophobicContact CD1-CD1 3.95Å; L75-Y86 HydrophobicContact CD1-CD2 4.45Å; L75-Y86 HydrophobicContact CD1-CE1 3.4Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.4Å; L75-Y86 HydrophobicContact CD1-CE2 3.99Å; L75-Y86 HydrophobicContact CD1-CG 4.41Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.41Å; L75-Y86 HydrophobicContact CD2-CE1 4.47Å |
| 76 | A | 96.6 | Very high | 95.8 | Very high | 25 Ų | 25 | 48 Ų | 48 | 21% | 0.207 | 26% | 0.257 | C | S | . | . | trans | -88.3 | 149 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S9 K59 L78 | S9-A76 WeakPolarHBondContact OG-CA 3.37Å; K59-A76 PolarHBondContact O-N 3.25Å; A76-L78 PolarHBondContact O-N 2.98Å | ||
| 77 | R | 94.7 | Very high | 95.8 | Very high | 177 Ų | 177 | 45 Ų | 45 | 67% | 0.668 | 24% | 0.243 | S | C | * | . | S | Bend | trans | 51.7 | 57.1 | 167.7 | -63.6 | 176.1 | -81 | -178.9 | -4.2 | 112.4 | ||
| 78 | L | 94.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -61.8 | 140.9 | -175.5 | -70.4 | 175.7 | 0 | 0 | 0 | 112.6 | V4 P6 G7 V8 V10 L75 A76 D82 V104 V106 | V4-L78 HydrophobicContact CG2-CD1 3.61Å; P6-L78 WeakPolarHBondContact CA-O 3.47Å; G7-L78 PolarHBondContact N-O 2.86Å; V8-L78 WeakPolarHBondContact O-CB 3.4Å; V8-L78 WeakPolarHBondContact O-CG 3.19Å; V8-L78 PolarHBondContact O-N 2.9Å; V10-L78 HydrophobicContact CB-CD1 3.86Å; V10-L78 HydrophobicContact CG1-CD1 3.64Å; V10-L78 HydrophobicContact CG1-CD2 4.39Å; V10-L78 HydrophobicContact CG1-CG 4.41Å; L75-L78 HydrophobicContact CB-CD2 3.8Å; L75-L78 HydrophobicContact CD1-CD2 4.35Å; A76-L78 PolarHBondContact O-N 2.98Å; L78-D82 WeakPolarHBondContact CA-OD2 3.5Å; L78-D82 HydrophobicContact CD2-CB 3.6Å; L78-V104 HydrophobicContact CD1-CG1 4.18Å; L78-V106 HydrophobicContact CB-CG1 4.33Å; L78-V106 HydrophobicContact CB-CG2 3.91Å; L78-V106 HydrophobicContact CD1-CG2 4.18Å | ||
| 79 | T | 93.8 | Very high | 95.9 | Very high | 57 Ų | 57 | 39.2 Ų | 39.2 | 35% | 0.35 | 20% | 0.203 | S | C | . | . | trans | -120.2 | 168.9 | 173.6 | 66.3 | 0 | 0 | 0 | 0 | 109.9 | E81 D82 V106 | T79-E81 PolarHBondContact O-N 2.87Å; T79-E81 VanDerWaalsContact O-N 3.12Å; T79-D82 PolarHBondContact N-OD2 2.82Å; T79-D82 WeakPolarHBondContact O-CB 3.24Å; T79-D82 PolarHBondContact O-N 2.89Å; T79-D82 PolarHBondContact OG1-OD2 2.92Å; T79-V106 WeakPolarHBondContact O-CB 3.16Å; T79-V106 WeakPolarHBondContact O-CG2 3.04Å | ||
| 80 | S | 91.5 | Very high | 95.8 | Very high | 86 Ų | 86 | 38.8 Ų | 38.8 | 60% | 0.601 | 20% | 0.195 | S | C | * | . | G | 310 helix | trans | -53.3 | -33.8 | 176.9 | 51.2 | 0 | 0 | 0 | 0 | 112.8 | D82 S83 | S80-D82 PolarHBondContact O-N 2.91Å; S80-S83 WeakPolarHBondContact O-CB 3.18Å; S80-S83 PolarHBondContact O-N 2.96Å; S80-S83 VanDerWaalsContact O-N 3.11Å; S80-S83 PolarHBondContact O-OG 2.65Å |
| 81 | E | 90.1 | Very high | 95.3 | Very high | 158 Ų | 158 | 44 Ų | 44 | 74% | 0.738 | 22% | 0.217 | S | C | * | . | G | 310 helix | trans | -65.8 | -16.2 | 177.1 | -60.5 | -178.4 | 175.4 | 0 | 0 | 114 | K30 T79 S83 | K30-E81 PolarHBondContact NZ-O 3.39Å; T79-E81 PolarHBondContact O-N 2.87Å; T79-E81 VanDerWaalsContact O-N 3.12Å; E81-S83 VanDerWaalsContact C-N 3.31Å |
| 82 | D | 92.8 | Very high | 94.6 | Very high | 6 Ų | 6 | 48.6 Ų | 48.6 | 3% | 0.032 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -84.3 | -6.2 | 174.7 | -59.6 | -50.1 | 0 | 0 | 0 | 113.5 | K30 K59 L78 T79 S80 A84 Y86 V106 | K30-D82 IonicContact NZ-OD1 2.72Å; K59-D82 VanDerWaalsContact CE-CG 3.47Å; K59-D82 VanDerWaalsContact CE-OD1 3.28Å; K59-D82 WeakPolarHBondContact CE-OD1 3.01Å; K59-D82 WeakPolarHBondContact CE-OD2 3.48Å; K59-D82 IonicContact NZ-OD1 3.39Å; K59-D82 PolarHBondContact NZ-OD1 3.11Å; K59-D82 IonicContact NZ-OD2 3.81Å; K59-D82 PolarHBondContact NZ-OD2 3.07Å; L78-D82 WeakPolarHBondContact CA-OD2 3.5Å; L78-D82 HydrophobicContact CD2-CB 3.6Å; T79-D82 PolarHBondContact N-OD2 2.82Å; T79-D82 WeakPolarHBondContact O-CB 3.24Å; T79-D82 PolarHBondContact O-N 2.89Å; T79-D82 PolarHBondContact OG1-OD2 2.92Å; S80-D82 PolarHBondContact O-N 2.91Å; D82-A84 PolarHBondContact O-N 2.84Å; D82-Y86 WeakPolarHBondContact O-CE2 3.39Å; D82-Y86 PolarHBondContact O-OH 3.47Å; D82-V106 HydrophobicContact CB-CG2 4.35Å |
| 83 | S | 94.6 | Very high | 93.6 | Very high | 20 Ų | 20 | 56.1 Ų | 56.1 | 14% | 0.14 | 26% | 0.264 | C | S | . | . | trans | -61.5 | 112.8 | 173.9 | -57.8 | 0 | 0 | 0 | 0 | 110 | S80 E81 V104 V106 | S80-S83 WeakPolarHBondContact O-CB 3.18Å; S80-S83 PolarHBondContact O-N 2.96Å; S80-S83 VanDerWaalsContact O-N 3.11Å; S80-S83 PolarHBondContact O-OG 2.65Å; E81-S83 VanDerWaalsContact C-N 3.31Å; S83-V104 VanDerWaalsContact CA-O 3.32Å; S83-V104 WeakPolarHBondContact CA-O 3.42Å; S83-V106 PolarHBondContact OG-N 2.83Å | ||
| 84 | A | 95.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.1 | 168.5 | -170.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | K30 Q31 D82 Y86 V104 | K30-A84 HydrophobicContact CD-CB 4.16Å; K30-A84 HydrophobicContact CG-CB 3.56Å; Q31-A84 WeakPolarHBondContact O-CA 3.45Å; Q31-A84 VanDerWaalsContact O-CB 3.25Å; Q31-A84 WeakPolarHBondContact O-CB 3.38Å; D82-A84 PolarHBondContact O-N 2.84Å; A84-Y86 HydrophobicContact CB-CD2 4.41Å; A84-Y86 HydrophobicContact CB-CE2 3.88Å; A84-V104 PolarHBondContact N-O 2.84Å; A84-V104 VanDerWaalsContact N-O 3.09Å; A84-V104 PolarHBondContact O-N 3.04Å |
| 85 | V | 96.8 | Very high | 92 | Very high | 34 Ų | 34 | 58 Ų | 58 | 21% | 0.206 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 126.1 | 164.2 | -170.2 | 0 | 0 | 0 | 0 | 108.7 | Q31 Y87 T102 L103 | Q31-V85 HydrophobicContact CB-CB 4.45Å; Q31-V85 PolarHBondContact N-O 3.12Å; Q31-V85 PolarHBondContact O-N 2.89Å; Q31-V85 VanDerWaalsContact O-N 3.09Å; V85-Y87 HydrophobicContact CB-CE2 3.73Å; V85-Y87 HydrophobicContact CG1-CD2 4.2Å; V85-Y87 HydrophobicContact CG1-CE1 4.03Å; V85-Y87 HydrophobicContact CG1-CE2 3.48Å; V85-Y87 VanDerWaalsContact CG1-CE2 3.48Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.11Å; V85-T102 WeakPolarHBondContact CA-O 3.35Å; V85-L103 HydrophobicContact CG2-CB 4.42Å; V85-L103 HydrophobicContact CG2-CD1 4.01Å |
| 86 | Y | 97.3 | Very high | 91.7 | Very high | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.008 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 126 | 179.2 | -69.3 | -88.3 | 0 | 0 | 0 | 110.2 | I12 V29 K30 I40 M73 L75 D82 A84 G101 T102 V104 | I12-Y86 HydrophobicContact CD1-CD1 4.35Å; I12-Y86 HydrophobicContact CD1-CD2 3.92Å; I12-Y86 HydrophobicContact CD1-CG 3.68Å; V29-Y86 WeakPolarHBondContact O-CA 3.28Å; K30-Y86 HydrophobicContact CB-CD1 4.18Å; K30-Y86 HydrophobicContact CB-CE1 3.93Å; K30-Y86 HydrophobicContact CD-CE1 4.1Å; K30-Y86 HydrophobicContact CG-CD1 4.33Å; K30-Y86 HydrophobicContact CG-CE1 3.78Å; I40-Y86 HydrophobicContact CD1-CD1 3.73Å; I40-Y86 HydrophobicContact CD1-CE1 3.88Å; M73-Y86 HydrophobicContact CE-CD1 3.72Å; M73-Y86 HydrophobicContact CE-CE1 4.31Å; M73-Y86 HydrophobicContact CE-CG 4.3Å; L75-Y86 HydrophobicContact CD1-CD1 3.95Å; L75-Y86 HydrophobicContact CD1-CD2 4.45Å; L75-Y86 HydrophobicContact CD1-CE1 3.4Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.4Å; L75-Y86 HydrophobicContact CD1-CE2 3.99Å; L75-Y86 HydrophobicContact CD1-CG 4.41Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.41Å; L75-Y86 HydrophobicContact CD2-CE1 4.47Å; D82-Y86 WeakPolarHBondContact O-CE2 3.39Å; D82-Y86 PolarHBondContact O-OH 3.47Å; A84-Y86 HydrophobicContact CB-CD2 4.41Å; A84-Y86 HydrophobicContact CB-CE2 3.88Å; Y86-G101 CarbonylContact O-C 3.57Å; Y86-G101 VanDerWaalsContact O-CA 3.3Å; Y86-G101 WeakPolarHBondContact O-CA 3.5Å; Y86-T102 PolarHBondContact N-O 2.9Å; Y86-T102 PolarHBondContact O-N 3.33Å; Y86-V104 HydrophobicContact CD2-CB 4.02Å; Y86-V104 HydrophobicContact CD2-CG2 3.76Å; Y86-V104 HydrophobicContact CE2-CB 3.89Å; Y86-V104 HydrophobicContact CE2-CG2 4.06Å |
| 87 | Y | 97.4 | Very high | 91.5 | Very high | 47 Ų | 47 | 65.1 Ų | 65.1 | 18% | 0.184 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 144.7 | -178.5 | -63.9 | -85.6 | 0 | 0 | 0 | 110.7 | W28 V29 Q31 V85 W98 G99 G101 | W28-Y87 WeakPolarHBondContact CA-O 3.49Å; V29-Y87 PolarHBondContact N-O 3.4Å; V29-Y87 PolarHBondContact O-N 2.95Å; Q31-Y87 HydrophobicContact CB-CD2 4.21Å; Q31-Y87 HydrophobicContact CB-CE2 3.72Å; Q31-Y87 PolarHBondContact OE1-OH 2.58Å; V85-Y87 HydrophobicContact CB-CE2 3.73Å; V85-Y87 HydrophobicContact CG1-CD2 4.2Å; V85-Y87 HydrophobicContact CG1-CE1 4.03Å; V85-Y87 HydrophobicContact CG1-CE2 3.48Å; V85-Y87 VanDerWaalsContact CG1-CE2 3.48Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.11Å; Y87-W98 HydrophobicContact CD1-CE3 4.42Å; Y87-W98 HydrophobicContact CG-CE3 4.12Å; Y87-W98 HydrophobicContact CG-CZ3 4.38Å; Y87-G99 WeakPolarHBondContact CD1-O 3.49Å; Y87-G101 VanDerWaalsContact CD1-CA 3.44Å; Y87-G101 VanDerWaalsContact CE1-CA 3.47Å |
| 88 | C | 97.3 | Very high | 91.5 | Very high | 16 Ų | 16 | 62.6 Ų | 62.6 | 11% | 0.108 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 149.1 | 157.6 | 62.2 | 0 | 0 | 0 | 0 | 109.6 | C14 M26 H27 W28 G99 | C14-C88 HydrophobicContact CB-CB 3.43Å; C14-C88 VanDerWaalsContact CB-CB 3.43Å; C14-C88 WeakPolarHBondContact CB-SG 3.45Å; C14-C88 WeakPolarHBondContact SG-CB 3.37Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.8Å; M26-C88 HydrophobicContact CG-CB 4.21Å; M26-C88 HydrophobicContact SD-CB 3.72Å; H27-C88 CarbonylContact O-C 3.58Å; H27-C88 WeakPolarHBondContact O-CA 3.49Å; W28-C88 HydrophobicContact CD2-CB 4.45Å; W28-C88 HydrophobicContact CE3-CB 4.16Å; W28-C88 HydrophobicContact CH2-CB 4.3Å; W28-C88 HydrophobicContact CZ3-CB 4.09Å; C88-G99 PolarHBondContact O-N 2.86Å |
| 89 | A | 96.5 | Very high | 91.6 | Very high | 9 Ų | 9 | 63.9 Ų | 63.9 | 7% | 0.074 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 153 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | H27 Y97 W98 | H27-A89 WeakPolarHBondContact CB-O 3.3Å; H27-A89 PolarHBondContact N-O 3.12Å; H27-A89 PolarHBondContact O-N 2.77Å; A89-Y97 CarbonylContact C-O 3.59Å; A89-Y97 WeakPolarHBondContact CA-O 3.5Å; A89-W98 HydrophobicContact CB-CD2 3.82Å; A89-W98 HydrophobicContact CB-CE3 3.92Å; A89-W98 HydrophobicContact CB-CG 4.24Å; A89-W98 HydrophobicContact CB-CZ2 4.45Å; A89-W98 HydrophobicContact CB-CZ3 4.28Å |
| 90 | R | 94.3 | Very high | 91.6 | Very high | 32 Ų | 32 | 70.6 Ų | 70.6 | 12% | 0.121 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 150.5 | 167.7 | 67.7 | 174.2 | -174.2 | 93.8 | 2.6 | 110.3 | Y19 S96 Y97 | Y19-R90 VanDerWaalsContact CZ-CD 3.49Å; R90-S96 WeakPolarHBondContact O-CA 3.05Å; R90-Y97 HydrophobicContact CG-CD2 4.23Å; R90-Y97 HydrophobicContact CG-CG 4.47Å; R90-Y97 PolarHBondContact N-O 2.92Å; R90-Y97 VanDerWaalsContact NH2-CD2 3.31Å; R90-Y97 PolarHBondContact O-N 3.37Å |
| 91 | F | 88 | Confident | 91.8 | Very high | 118 Ų | 118 | 67.8 Ų | 67.8 | 52% | 0.518 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 135.7 | 177.3 | -167.1 | -98.5 | 0 | 0 | 0 | 110.7 | Y24 S96 | Y24-F91 VanDerWaalsContact CD1-O 3.32Å; Y24-F91 WeakPolarHBondContact CD1-O 3.32Å; F91-S96 WeakPolarHBondContact CD2-OG 3.2Å |
| 92 | Y | 82.9 | Confident | 92.1 | Very high | 98 Ų | 98 | 62.3 Ų | 62.3 | 38% | 0.384 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 112.2 | 176 | 175.4 | -110.7 | 0 | 0 | 0 | 109.8 | Y24 G94 S95 | Y24-Y92 AromaticContact CE1-CD2 3.55Å; Y24-Y92 HydrophobicContact CE1-CD2 3.55Å; Y24-Y92 HydrophobicContact CE1-CE2 4.47Å; Y24-Y92 HydrophobicContact CE1-CG 4.11Å; Y24-Y92 AromaticContact CZ-CD2 3.61Å; Y24-Y92 WeakPolarHBondContact OH-CD2 3.32Å; Y24-Y92 WeakPolarHBondContact OH-CE2 3.45Å; Y92-G94 PolarHBondContact O-N 3.11Å; Y92-G94 VanDerWaalsContact O-N 3.12Å; Y92-S95 PolarHBondContact N-O 3.03Å; Y92-S95 WeakPolarHBondContact O-CA 3.26Å; Y92-S95 WeakPolarHBondContact O-CB 3.32Å; Y92-S95 PolarHBondContact O-N 3.35Å |
| 93 | Y | 77.5 | Confident | 92.2 | Very high | 208 Ų | 208 | 65.2 Ų | 65.2 | 82% | 0.816 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 33.9 | 59.9 | 174.6 | -64.1 | -75.1 | 0 | 0 | 0 | 115 | S95 | Y93-S95 VanDerWaalsContact C-N 3.33Å; Y93-S95 PolarHBondContact O-N 2.87Å |
| 94 | G | 78.7 | Confident | 92.2 | Very high | 63 Ų | 63 | 64.3 Ų | 64.3 | 65% | 0.649 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.1 | -5.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y92 | Y92-G94 PolarHBondContact O-N 3.11Å; Y92-G94 VanDerWaalsContact O-N 3.12Å |
| 95 | S | 84.4 | Confident | 92.2 | Very high | 60 Ų | 60 | 66.7 Ų | 66.7 | 42% | 0.42 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 138 | 173.2 | -62.8 | 0 | 0 | 0 | 0 | 111.6 | Y92 Y93 | Y92-S95 PolarHBondContact N-O 3.03Å; Y92-S95 WeakPolarHBondContact O-CA 3.26Å; Y92-S95 WeakPolarHBondContact O-CB 3.32Å; Y92-S95 PolarHBondContact O-N 3.35Å; Y93-S95 VanDerWaalsContact C-N 3.33Å; Y93-S95 PolarHBondContact O-N 2.87Å |
| 96 | S | 89.8 | Confident | 92 | Very high | 65 Ų | 65 | 65.5 Ų | 65.5 | 46% | 0.455 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 125.2 | 174.7 | -59.4 | 0 | 0 | 0 | 0 | 109.9 | R90 F91 | R90-S96 WeakPolarHBondContact O-CA 3.05Å; F91-S96 WeakPolarHBondContact CD2-OG 3.2Å |
| 97 | Y | 93.3 | Very high | 91.6 | Very high | 112 Ų | 112 | 67.8 Ų | 67.8 | 44% | 0.439 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 124.3 | 173.9 | -61.1 | -91.2 | 0 | 0 | 0 | 108.9 | A89 R90 | A89-Y97 CarbonylContact C-O 3.59Å; A89-Y97 WeakPolarHBondContact CA-O 3.5Å; R90-Y97 HydrophobicContact CG-CD2 4.23Å; R90-Y97 HydrophobicContact CG-CG 4.47Å; R90-Y97 PolarHBondContact N-O 2.92Å; R90-Y97 VanDerWaalsContact NH2-CD2 3.31Å; R90-Y97 PolarHBondContact O-N 3.37Å |
| 98 | W | 95.1 | Very high | 90.3 | Very high | 123 Ų | 123 | 72.5 Ų | 72.5 | 47% | 0.466 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 142.2 | -177.1 | -66.4 | 77.3 | 0 | 0 | 0 | 110.3 | V29 L37 Y87 A89 | V29-W98 HydrophobicContact CB-CH2 4.33Å; V29-W98 HydrophobicContact CB-CZ3 3.92Å; V29-W98 HydrophobicContact CG1-CH2 4.27Å; V29-W98 HydrophobicContact CG1-CZ3 4.13Å; V29-W98 HydrophobicContact CG2-CH2 3.92Å; V29-W98 HydrophobicContact CG2-CZ3 3.85Å; L37-W98 HydrophobicContact CD1-CH2 4.45Å; Y87-W98 HydrophobicContact CD1-CE3 4.42Å; Y87-W98 HydrophobicContact CG-CE3 4.12Å; Y87-W98 HydrophobicContact CG-CZ3 4.38Å; A89-W98 HydrophobicContact CB-CD2 3.82Å; A89-W98 HydrophobicContact CB-CE3 3.92Å; A89-W98 HydrophobicContact CB-CG 4.24Å; A89-W98 HydrophobicContact CB-CZ2 4.45Å; A89-W98 HydrophobicContact CB-CZ3 4.28Å |
| 99 | G | 95.2 | Very high | 89.9 | Confident | 28 Ų | 28 | 75.3 Ų | 75.3 | 29% | 0.289 | 42% | 0.418 | S | S | . | . | trans | -67 | 164.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y87 C88 G101 | Y87-G99 WeakPolarHBondContact CD1-O 3.49Å; C88-G99 PolarHBondContact O-N 2.86Å; G99-G101 PolarHBondContact O-N 2.86Å; G99-G101 VanDerWaalsContact O-N 3.12Å | ||
| 100 | Q | 94.5 | Very high | 89.6 | Confident | 198 Ų | 198 | 78.8 Ų | 78.8 | 93% | 0.925 | 44% | 0.436 | S | S | * | . | trans | -59.5 | -22.6 | 176.9 | -71.2 | -89.7 | -40.3 | 0 | 0 | 113.2 | ||||
| 101 | G | 95.1 | Very high | 89.3 | Confident | 26 Ų | 26 | 81.4 Ų | 81.4 | 27% | 0.268 | 45% | 0.454 | S | S | . | . | trans | 89.2 | 148.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y86 Y87 G99 | Y86-G101 CarbonylContact O-C 3.57Å; Y86-G101 VanDerWaalsContact O-CA 3.3Å; Y86-G101 WeakPolarHBondContact O-CA 3.5Å; Y87-G101 VanDerWaalsContact CD1-CA 3.44Å; Y87-G101 VanDerWaalsContact CE1-CA 3.47Å; G99-G101 PolarHBondContact O-N 2.86Å; G99-G101 VanDerWaalsContact O-N 3.12Å | ||
| 102 | T | 96.3 | Very high | 89.4 | Confident | 44 Ų | 44 | 79.2 Ų | 79.2 | 27% | 0.27 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 112.7 | 175 | -59.1 | 0 | 0 | 0 | 0 | 108.5 | I12 V85 Y86 V104 | I12-T102 HydrophobicContact CG2-CG2 4.44Å; V85-T102 WeakPolarHBondContact CA-O 3.35Å; Y86-T102 PolarHBondContact N-O 2.9Å; Y86-T102 PolarHBondContact O-N 3.33Å; T102-V104 HydrophobicContact CG2-CG2 4.3Å; T102-V104 PolarHBondContact O-N 3.38Å |
| 103 | L | 95.8 | Very high | 89.8 | Confident | 67 Ų | 67 | 78.1 Ų | 78.1 | 35% | 0.351 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 119.9 | 170.2 | 175.7 | 64.1 | 0 | 0 | 0 | 108.9 | P1 E2 V85 | P1-L103 CarbonylContact C-O 3.54Å; P1-L103 WeakPolarHBondContact CA-O 3.48Å; P1-L103 HydrophobicContact CB-CB 4.24Å; P1-L103 HydrophobicContact CB-CD2 4.27Å; E2-L103 PolarHBondContact N-O 3.42Å; V85-L103 HydrophobicContact CG2-CB 4.42Å; V85-L103 HydrophobicContact CG2-CD1 4.01Å |
| 104 | V | 95.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 129.7 | 168.9 | 178.4 | 0 | 0 | 0 | 0 | 107.5 | E2 V4 I12 L78 S83 A84 Y86 T102 V106 | E2-V104 HydrophobicContact CB-CG2 4.49Å; E2-V104 WeakPolarHBondContact O-CA 3.39Å; V4-V104 HydrophobicContact CG2-CG1 4.15Å; I12-V104 HydrophobicContact CD1-CG2 3.99Å; L78-V104 HydrophobicContact CD1-CG1 4.18Å; S83-V104 VanDerWaalsContact CA-O 3.32Å; S83-V104 WeakPolarHBondContact CA-O 3.42Å; A84-V104 PolarHBondContact N-O 2.84Å; A84-V104 VanDerWaalsContact N-O 3.09Å; A84-V104 PolarHBondContact O-N 3.04Å; Y86-V104 HydrophobicContact CD2-CB 4.02Å; Y86-V104 HydrophobicContact CD2-CG2 3.76Å; Y86-V104 HydrophobicContact CE2-CB 3.89Å; Y86-V104 HydrophobicContact CE2-CG2 4.06Å; T102-V104 HydrophobicContact CG2-CG2 4.3Å; T102-V104 PolarHBondContact O-N 3.38Å; V104-V106 HydrophobicContact CG1-CG2 4.41Å |
| 105 | T | 94.7 | Very high | 91.5 | Very high | 50 Ų | 50 | 69.9 Ų | 69.9 | 31% | 0.307 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 122.3 | 178.3 | -56.6 | 0 | 0 | 0 | 0 | 109 | E2 L3 V4 | E2-T105 PolarHBondContact O-N 2.94Å; L3-T105 WeakPolarHBondContact CA-O 3.48Å; L3-T105 HydrophobicContact CD1-CG2 3.95Å; V4-T105 PolarHBondContact N-O 3.46Å |
| 106 | V | 92.7 | Very high | 92 | Very high | 10 Ų | 10 | 70.6 Ų | 70.6 | 6% | 0.061 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 106.5 | 179.8 | -169.7 | 0 | 0 | 0 | 0 | 108.1 | V4 P6 L78 T79 D82 S83 V104 | V4-V106 HydrophobicContact CG2-CB 4.34Å; V4-V106 HydrophobicContact CG2-CG1 4.45Å; V4-V106 HydrophobicContact CG2-CG2 3.81Å; V4-V106 WeakPolarHBondContact O-CA 3.1Å; P6-V106 HydrophobicContact CB-CG1 4.37Å; P6-V106 HydrophobicContact CG-CG1 4.15Å; L78-V106 HydrophobicContact CB-CG1 4.33Å; L78-V106 HydrophobicContact CB-CG2 3.91Å; L78-V106 HydrophobicContact CD1-CG2 4.18Å; T79-V106 WeakPolarHBondContact O-CB 3.16Å; T79-V106 WeakPolarHBondContact O-CG2 3.04Å; D82-V106 HydrophobicContact CB-CG2 4.35Å; S83-V106 PolarHBondContact OG-N 2.83Å; V104-V106 HydrophobicContact CG1-CG2 4.41Å |
| 107 | S | 88.3 | Confident | 92.2 | Very high | 49 Ų | 49 | 71.1 Ų | 71.1 | 34% | 0.343 | 41% | 0.41 | S | S | . | . | trans | -125.6 | 143.6 | -179.4 | 66.8 | 0 | 0 | 0 | 0 | 111.1 | L3 V4 P6 | L3-S107 WeakPolarHBondContact CD1-OG 2.87Å; V4-S107 PolarHBondContact O-N 3.12Å; V4-S107 VanDerWaalsContact O-N 3.1Å; P6-S107 WeakPolarHBondContact CD-O 3.29Å | ||
| 108 | A | 70.8 | Confident | 92.1 | Very high | 146 Ų | 146 | 67.4 Ų | 67.4 | 100% | 1.207 | 41% | 0.408 | S | S | * | . | trans | -63.7 | 0 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.5 |
Retrieved 108 of 108 residues in 81.6 ms
(Link to these results)