G4V6Z2_SCHMA Loading...

Putative gaba(A) receptor-associated protein

AlphaFold DB , UniProt , Accession G4V6Z2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 124 aa.

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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
1M76.4Confident93.4Very high55 Ų5578.7 Ų78.727%0.27137%0.372SS..  0138.70-170.7120.1154.500113.5F3 E34 K35 D82 A108 Y115M1-F3 HydrophobicContact CB-CD2 4.27Å; M1-F3 HydrophobicContact CB-CE2 3.8Å; M1-F3 HydrophobicContact CB-CZ 4.41Å; M1-F3 HydrophobicContact CE-CE1 4.33Å; M1-F3 HydrophobicContact CE-CZ 4.49Å; M1-F3 HydrophobicContact CG-CD2 4.07Å; M1-F3 HydrophobicContact CG-CE2 3.82Å; M1-F3 HydrophobicContact CG-CZ 4.16Å; M1-E34 HydrophobicContact CE-CB 4.38Å; M1-K35 WeakPolarHBondContact CE-O 3.26Å; M1-D82 PolarHBondContact N-OD1 3.48Å; M1-A108 HydrophobicContact CE-CB 3.4Å; M1-A108 HydrophobicContact CG-CB 4.29Å; M1-A108 HydrophobicContact SD-CB 3.2Å; M1-A108 WeakPolarHBondContact SD-CB 3.38Å; M1-Y115 WeakPolarHBondContact CA-OH 3.29Å; M1-Y115 HydrophobicContact CB-CE1 4.34Å; M1-Y115 WeakPolarHBondContact CB-OH 3.32Å; M1-Y115 VanDerWaalsContact CG-OH 3.26Å; M1-Y115 WeakPolarHBondContact CG-OH 3.45Å; M1-Y115 HydrophobicContact SD-CE2 3.68Å; M1-Y115 PolarHBondContact SD-OH 2.79Å
2K87.1Confident93.8Very high176 Ų17683.1 Ų83.177%0.76539%0.392SS*.  trans-89.6131159-70.7-171.8178.7-175.30109.6
3F94.3Very high94.1Very high17 Ų1785.9 Ų85.98%0.07540%0.402CS..  trans-103.1126.3178.3-77.3-94.5000109.5M1 Y5 K6 E7 I32 E34 Y106 A108M1-F3 HydrophobicContact CB-CD2 4.27Å; M1-F3 HydrophobicContact CB-CE2 3.8Å; M1-F3 HydrophobicContact CB-CZ 4.41Å; M1-F3 HydrophobicContact CE-CE1 4.33Å; M1-F3 HydrophobicContact CE-CZ 4.49Å; M1-F3 HydrophobicContact CG-CD2 4.07Å; M1-F3 HydrophobicContact CG-CE2 3.82Å; M1-F3 HydrophobicContact CG-CZ 4.16Å; F3-Y5 PolarHBondContact O-N 3.31Å; F3-K6 HydrophobicContact CB-CD 4.43Å; F3-K6 HydrophobicContact CB-CG 4.21Å; F3-K6 WeakPolarHBondContact O-CB 3.44Å; F3-K6 PolarHBondContact O-N 3.14Å; F3-E7 PolarHBondContact O-N 3.1Å; F3-I32 HydrophobicContact CD1-CG2 4.43Å; F3-E34 WeakPolarHBondContact CA-OE2 3.42Å; F3-E34 HydrophobicContact CD1-CB 3.9Å; F3-E34 HydrophobicContact CD1-CG 4.05Å; F3-E34 WeakPolarHBondContact CD1-OE2 3.2Å; F3-E34 HydrophobicContact CE1-CB 4.13Å; F3-Y106 HydrophobicContact CB-CD1 4.04Å; F3-Y106 HydrophobicContact CB-CE1 4.22Å; F3-Y106 AromaticContact CD1-CD1 3.66Å; F3-Y106 HydrophobicContact CD1-CD1 3.66Å; F3-Y106 AromaticContact CD2-CD1 3.93Å; F3-Y106 HydrophobicContact CD2-CD1 3.93Å; F3-Y106 HydrophobicContact CD2-CG 4.36Å; F3-Y106 HydrophobicContact CE1-CD1 4.06Å; F3-Y106 HydrophobicContact CE2-CD1 4.31Å; F3-Y106 HydrophobicContact CE2-CG 4.39Å; F3-Y106 AromaticContact CG-CD1 3.6Å; F3-Y106 HydrophobicContact CG-CD1 3.6Å; F3-Y106 HydrophobicContact CG-CE1 4.28Å; F3-Y106 HydrophobicContact CG-CG 4.43Å; F3-Y106 HydrophobicContact CZ-CD1 4.38Å; F3-Y106 HydrophobicContact CZ-CG 4.49Å; F3-A108 HydrophobicContact CZ-CB 4.11Å
4Q94.5Very high94.4Very high107 Ų10781.4 Ų81.450%0.538%0.379SS..Hα-helixtrans-59.3-35.3179.3-17062.747.900110.8K6 E7 D8 E34Q4-K6 PolarHBondContact O-N 2.93Å; Q4-K6 VanDerWaalsContact O-N 3.13Å; Q4-E7 PolarHBondContact O-N 3.04Å; Q4-D8 PolarHBondContact NE2-OD1 2.85Å; Q4-D8 PolarHBondContact O-N 3.17Å; Q4-E34 PolarHBondContact N-OE2 3.26Å
5Y96.2Very high94.7Very high1 Ų178.8 Ų78.80%0.00437%0.369CS..Hα-helixtrans-52.7-35.3173.6-170.1-97.1000114F3 R9 R14 E17 I32 E34 K48 Y106F3-Y5 PolarHBondContact O-N 3.31Å; Y5-R9 WeakPolarHBondContact O-CB 3.43Å; Y5-R9 PolarHBondContact O-N 3.25Å; Y5-R14 HydrophobicContact CD1-CG 4.36Å; Y5-R14 HydrophobicContact CE1-CG 3.8Å; Y5-E17 PolarHBondContact OH-OE2 3.37Å; Y5-E17 VanDerWaalsContact OH-OE2 3.09Å; Y5-I32 HydrophobicContact CD1-CD1 4.03Å; Y5-I32 HydrophobicContact CD1-CG1 3.88Å; Y5-I32 HydrophobicContact CD2-CD1 3.86Å; Y5-I32 HydrophobicContact CD2-CG1 4.46Å; Y5-I32 HydrophobicContact CD2-CG2 4.49Å; Y5-I32 HydrophobicContact CE1-CD1 3.89Å; Y5-I32 HydrophobicContact CE1-CG1 4.04Å; Y5-I32 HydrophobicContact CE2-CD1 3.72Å; Y5-I32 HydrophobicContact CG-CD1 4.01Å; Y5-I32 HydrophobicContact CG-CG1 4.1Å; Y5-I32 HydrophobicContact CG-CG2 4.05Å; Y5-E34 VanDerWaalsContact CB-OE1 3.28Å; Y5-E34 WeakPolarHBondContact CB-OE1 3.3Å; Y5-E34 PolarHBondContact N-OE1 2.89Å; Y5-K48 HydrophobicContact CE2-CD 4.44Å; Y5-Y106 HydrophobicContact CD1-CE1 4.08Å; Y5-Y106 WeakPolarHBondContact CD1-OH 3.47Å
6K96.5Very high94.9Very high57 Ų5779.5 Ų79.525%0.24837%0.372CS..Hα-helixtrans-79.5-28.9178.9-65.8-175.3176.4-179.80112.6F3 Q4 R9 D100 Y106F3-K6 HydrophobicContact CB-CD 4.43Å; F3-K6 HydrophobicContact CB-CG 4.21Å; F3-K6 WeakPolarHBondContact O-CB 3.44Å; F3-K6 PolarHBondContact O-N 3.14Å; Q4-K6 PolarHBondContact O-N 2.93Å; Q4-K6 VanDerWaalsContact O-N 3.13Å; K6-R9 VanDerWaalsContact O-O 3.05Å; K6-D100 IonicContact NZ-OD2 2.6Å; K6-D100 PolarHBondContact NZ-OD2 3.45Å; K6-Y106 HydrophobicContact CD-CE1 4.18Å; K6-Y106 VanDerWaalsContact CE-CE2 3.4Å; K6-Y106 HydrophobicContact CG-CE1 3.75Å
7E95.6Very high95.1Very high123 Ų12378 Ų7858%0.57537%0.365SS*.Hα-helixtrans-75.4-41.1176.3-58.6-62.8136.900110.8F3 Q4 R9F3-E7 PolarHBondContact O-N 3.1Å; Q4-E7 PolarHBondContact O-N 3.04Å; E7-R9 VanDerWaalsContact C-N 3.28Å; E7-R9 PolarHBondContact O-N 3.16Å
8D95.6Very high95.2Very high101 Ų10173.7 Ų73.754%0.5435%0.345SS..SBendtrans-73.2-19.3-178.7-66.3-14.4000113.4Q4Q4-D8 PolarHBondContact NE2-OD1 2.85Å; Q4-D8 PolarHBondContact O-N 3.17Å
9R96.1Very high95.4Very high90 Ų9075.4 Ų75.434%0.3435%0.353SS..SBendtrans-133.9123.4-170.6-64.5177178.773.15.9112.1Y5 K6 E7 R14Y5-R9 WeakPolarHBondContact O-CB 3.43Å; Y5-R9 PolarHBondContact O-N 3.25Å; K6-R9 VanDerWaalsContact O-O 3.05Å; E7-R9 VanDerWaalsContact C-N 3.28Å; E7-R9 PolarHBondContact O-N 3.16Å; R9-R14 HydrophobicContact CB-CG 3.73Å; R9-R14 PolarHBondContact O-NE 3.5Å
10P97.4Very high95.5Very high77 Ų7776.4 Ų76.450%0.536%0.361SS..  trans-61.3150.5176.626.4-32.9000110.8E12 K13 R14P10-E12 VanDerWaalsContact C-N 3.27Å; P10-E12 PolarHBondContact O-N 3.39Å; P10-K13 HydrophobicContact CG-CB 4.09Å; P10-K13 HydrophobicContact CG-CG 3.9Å; P10-K13 PolarHBondContact O-N 3.06Å; P10-K13 VanDerWaalsContact O-N 3.14Å; P10-R14 PolarHBondContact O-N 3.06Å
11F98.2Very high95.6Very high62 Ų6274.4 Ų74.427%0.27235%0.352SS..Hα-helixtrans-55.6-42.7-174.2172.8-102.1000112.5K13 R14 L15 R101 D102F11-K13 VanDerWaalsContact C-N 3.27Å; F11-K13 PolarHBondContact O-N 2.89Å; F11-R14 PolarHBondContact O-N 3.23Å; F11-R14 VanDerWaalsContact O-N 3.16Å; F11-L15 HydrophobicContact CE1-CB 4.41Å; F11-L15 HydrophobicContact CE1-CD2 3.91Å; F11-L15 HydrophobicContact CZ-CB 4.35Å; F11-L15 HydrophobicContact CZ-CD2 4.08Å; F11-L15 WeakPolarHBondContact O-CB 3.35Å; F11-L15 PolarHBondContact O-N 2.85Å; F11-R101 HydrophobicContact CE2-CB 3.88Å; F11-R101 HydrophobicContact CZ-CB 4.04Å; F11-D102 HydrophobicContact CD2-CB 4.23Å; F11-D102 HydrophobicContact CE2-CB 3.91Å
12E98.2Very high96.6Very high131 Ų13175 Ų7561%0.61235%0.351SS*.Hα-helixtrans-60.7-39.2-177.3-63.968.3-147.700111.2P10 E16P10-E12 VanDerWaalsContact C-N 3.27Å; P10-E12 PolarHBondContact O-N 3.39Å; E12-E16 WeakPolarHBondContact O-CB 3.28Å; E12-E16 PolarHBondContact O-N 3.35Å
13K97.9Very high97.1Very high120 Ų12075.4 Ų75.452%0.52235%0.353SS..Hα-helixtrans-72.7-37.6177.9-72.1-69.1168-161.60112.5P10 F11 E16 E17P10-K13 HydrophobicContact CG-CB 4.09Å; P10-K13 HydrophobicContact CG-CG 3.9Å; P10-K13 PolarHBondContact O-N 3.06Å; P10-K13 VanDerWaalsContact O-N 3.14Å; F11-K13 VanDerWaalsContact C-N 3.27Å; F11-K13 PolarHBondContact O-N 2.89Å; K13-E16 IonicContact NZ-OE2 3.47Å; K13-E16 PolarHBondContact NZ-OE2 3.08Å; K13-E17 WeakPolarHBondContact O-CB 3.5Å; K13-E17 PolarHBondContact O-N 3.48Å
14R98.2Very high97.3Very high22 Ų2281.7 Ų81.78%0.08338%0.38CS..Hα-helixtrans-64.2-44173.4-65.1-174.3-77113.9-4.4110.9Y5 R9 P10 F11 E17 G18 D102 F104 Y106Y5-R14 HydrophobicContact CD1-CG 4.36Å; Y5-R14 HydrophobicContact CE1-CG 3.8Å; R9-R14 HydrophobicContact CB-CG 3.73Å; R9-R14 PolarHBondContact O-NE 3.5Å; P10-R14 PolarHBondContact O-N 3.06Å; F11-R14 PolarHBondContact O-N 3.23Å; F11-R14 VanDerWaalsContact O-N 3.16Å; R14-E17 PolarHBondContact O-N 2.64Å; R14-G18 PolarHBondContact O-N 2.75Å; R14-D102 HydrophobicContact CB-CB 3.79Å; R14-D102 IonicContact CZ-OD2 2.79Å; R14-D102 IonicContact NH1-OD2 3.68Å; R14-D102 PolarHBondContact NH1-OD2 2.99Å; R14-F104 WeakPolarHBondContact O-CE2 3.49Å; R14-Y106 PolarHBondContact NH1-OH 3.5Å
15L98.5Very high97.4Very high43 Ų4381.3 Ų81.323%0.22538%0.375CS..Hα-helixtrans-64.6-46.8178.617759.8000112.1F11 E17 G18 Q19 L103F11-L15 HydrophobicContact CE1-CB 4.41Å; F11-L15 HydrophobicContact CE1-CD2 3.91Å; F11-L15 HydrophobicContact CZ-CB 4.35Å; F11-L15 HydrophobicContact CZ-CD2 4.08Å; F11-L15 WeakPolarHBondContact O-CB 3.35Å; F11-L15 PolarHBondContact O-N 2.85Å; L15-E17 VanDerWaalsContact C-N 3.28Å; L15-E17 PolarHBondContact O-N 2.95Å; L15-G18 PolarHBondContact O-N 3.09Å; L15-Q19 HydrophobicContact CD1-CG 4.1Å; L15-Q19 WeakPolarHBondContact O-CB 3.35Å; L15-Q19 VanDerWaalsContact O-CG 3.3Å; L15-Q19 WeakPolarHBondContact O-CG 3.47Å; L15-Q19 PolarHBondContact O-N 3.42Å; L15-L103 HydrophobicContact CD1-CD1 4.26Å; L15-L103 HydrophobicContact CD1-CG 4.12Å
16E98.3Very high97.5Very high90 Ų9085.3 Ų85.342%0.42140%0.401SS..Hα-helixtrans-55.8-46.1175.3179.3179.8-16200110.7E12 K13 Q19 N20E12-E16 WeakPolarHBondContact O-CB 3.28Å; E12-E16 PolarHBondContact O-N 3.35Å; K13-E16 IonicContact NZ-OE2 3.47Å; K13-E16 PolarHBondContact NZ-OE2 3.08Å; E16-Q19 PolarHBondContact O-N 3.42Å; E16-N20 WeakPolarHBondContact O-CB 3.49Å; E16-N20 VanDerWaalsContact O-CG 3.24Å; E16-N20 PolarHBondContact O-N 3.13Å; E16-N20 PolarHBondContact O-ND2 3.25Å; E16-N20 VanDerWaalsContact O-ND2 3.1Å
17E97.7Very high97.5Very high54 Ų5487 Ų8725%0.25242%0.42SS..Hα-helixtrans-64-46.7177.2-170.1-178.9169.800112.3Y5 K13 R14 L15 Q19 N20 I21 K48 F104Y5-E17 PolarHBondContact OH-OE2 3.37Å; Y5-E17 VanDerWaalsContact OH-OE2 3.09Å; K13-E17 WeakPolarHBondContact O-CB 3.5Å; K13-E17 PolarHBondContact O-N 3.48Å; R14-E17 PolarHBondContact O-N 2.64Å; L15-E17 VanDerWaalsContact C-N 3.28Å; L15-E17 PolarHBondContact O-N 2.95Å; E17-Q19 VanDerWaalsContact C-N 3.32Å; E17-Q19 PolarHBondContact O-N 2.6Å; E17-N20 PolarHBondContact O-N 2.98Å; E17-I21 WeakPolarHBondContact O-CG2 3.49Å; E17-I21 PolarHBondContact O-N 2.88Å; E17-K48 WeakPolarHBondContact OE1-CE 3.45Å; E17-K48 IonicContact OE1-NZ 3.42Å; E17-K48 PolarHBondContact OE1-NZ 2.85Å; E17-K48 IonicContact OE2-NZ 2.64Å; E17-K48 PolarHBondContact OE2-NZ 3.14Å; E17-F104 HydrophobicContact CB-CE2 4.41Å; E17-F104 HydrophobicContact CB-CZ 4.45Å; E17-F104 HydrophobicContact CG-CZ 4.13Å
18G98Very high97.6Very high0 Ų082.3 Ų82.30%040%0.401CS..Hα-helixtrans-58.7-42.7178.500000112.1R14 L15 I21 R22R14-G18 PolarHBondContact O-N 2.75Å; L15-G18 PolarHBondContact O-N 3.09Å; G18-I21 WeakPolarHBondContact O-CG2 3.42Å; G18-R22 VanDerWaalsContact O-CB 3.3Å; G18-R22 WeakPolarHBondContact O-CB 3.49Å; G18-R22 WeakPolarHBondContact O-CG 3.19Å; G18-R22 PolarHBondContact O-N 3.04Å
19Q98.1Very high97.8Very high107 Ų10777.6 Ų77.650%0.538%0.375SS..Hα-helixtrans-63.2-47.7175.6-73.4175.6-14.300111.5L15 E16 E17 I21 K23 L103L15-Q19 HydrophobicContact CD1-CG 4.1Å; L15-Q19 WeakPolarHBondContact O-CB 3.35Å; L15-Q19 VanDerWaalsContact O-CG 3.3Å; L15-Q19 WeakPolarHBondContact O-CG 3.47Å; L15-Q19 PolarHBondContact O-N 3.42Å; E16-Q19 PolarHBondContact O-N 3.42Å; E17-Q19 VanDerWaalsContact C-N 3.32Å; E17-Q19 PolarHBondContact O-N 2.6Å; Q19-I21 PolarHBondContact O-N 3Å; Q19-K23 WeakPolarHBondContact O-CB 3.3Å; Q19-K23 PolarHBondContact O-N 3.43Å; Q19-L103 HydrophobicContact CB-CD1 4.3Å; Q19-L103 HydrophobicContact CG-CD1 3.53Å
20N98.1Very high97.9Very high95 Ų9573.3 Ų73.351%0.50836%0.359SS..Hα-helixtrans-62.4-45.4-179.1-75.4-31.5000111.9E16 E17 K23 K24E16-N20 WeakPolarHBondContact O-CB 3.49Å; E16-N20 VanDerWaalsContact O-CG 3.24Å; E16-N20 PolarHBondContact O-N 3.13Å; E16-N20 PolarHBondContact O-ND2 3.25Å; E16-N20 VanDerWaalsContact O-ND2 3.1Å; E17-N20 PolarHBondContact O-N 2.98Å; N20-K23 PolarHBondContact O-N 2.86Å; N20-K24 WeakPolarHBondContact O-CB 3.38Å; N20-K24 PolarHBondContact O-N 3.29Å
21I97.3Very high97.9Very high34 Ų3469.6 Ų69.617%0.17434%0.335CS..Hα-helixtrans-71.5-38.4-177.5-157.5166.2000111.9E17 G18 Q19 K23 K24 Y25 P30 L50E17-I21 WeakPolarHBondContact O-CG2 3.49Å; E17-I21 PolarHBondContact O-N 2.88Å; G18-I21 WeakPolarHBondContact O-CG2 3.42Å; Q19-I21 PolarHBondContact O-N 3Å; I21-K23 VanDerWaalsContact C-N 3.35Å; I21-K24 PolarHBondContact O-N 2.99Å; I21-Y25 HydrophobicContact CG1-CD2 3.87Å; I21-Y25 HydrophobicContact CG1-CE2 4.39Å; I21-Y25 PolarHBondContact O-N 3.45Å; I21-P30 HydrophobicContact CG2-CB 3.76Å; I21-P30 HydrophobicContact CG2-CG 3.85Å; I21-L50 HydrophobicContact CD1-CD1 4.06Å; I21-L50 HydrophobicContact CD1-CD2 4.44Å; I21-L50 HydrophobicContact CG1-CD1 4.11Å; I21-L50 HydrophobicContact CG1-CD2 4.5Å
22R97.4Very high97.9Very high69 Ų6966.7 Ų66.726%0.2632%0.322SS..Hα-helixtrans-66.3-36.2175.3-71.4-67.1-63.2141.61.7112.1G18 Y25 P26 S28 P30G18-R22 VanDerWaalsContact O-CB 3.3Å; G18-R22 WeakPolarHBondContact O-CB 3.49Å; G18-R22 WeakPolarHBondContact O-CG 3.19Å; G18-R22 PolarHBondContact O-N 3.04Å; R22-Y25 CarbonylContact O-C 3.6Å; R22-P26 PolarHBondContact NH1-O 2.9Å; R22-P26 WeakPolarHBondContact O-CA 3.11Å; R22-S28 PolarHBondContact NH1-O 2.98Å; R22-P30 HydrophobicContact CG-CG 4.24Å
23K97.3Very high97.9Very high184 Ų18460.5 Ų60.580%0.829%0.294SS*.Hα-helixtrans-67.2-40.8173.5-173.3178.8179.71800111.8Q19 N20 I21Q19-K23 WeakPolarHBondContact O-CB 3.3Å; Q19-K23 PolarHBondContact O-N 3.43Å; N20-K23 PolarHBondContact O-N 2.86Å; I21-K23 VanDerWaalsContact C-N 3.35Å
24K97.9Very high97.8Very high148 Ų14855.7 Ų55.764%0.64327%0.273SS*.Hα-helixtrans-74.4-35.1-178.1-169.3174.5179.8-170.90113N20 I21N20-K24 WeakPolarHBondContact O-CB 3.38Å; N20-K24 PolarHBondContact O-N 3.29Å; I21-K24 PolarHBondContact O-N 2.99Å
25Y97.9Very high97.7Very high99 Ų9957.7 Ų57.739%0.38828%0.282SS..  trans-131.373.4-176.8-54.6-76.5000110.8I21 R22 S27 S28 L50I21-Y25 HydrophobicContact CG1-CD2 3.87Å; I21-Y25 HydrophobicContact CG1-CE2 4.39Å; I21-Y25 PolarHBondContact O-N 3.45Å; R22-Y25 CarbonylContact O-C 3.6Å; Y25-S27 VanDerWaalsContact C-N 3.26Å; Y25-S27 PolarHBondContact O-N 2.6Å; Y25-S28 PolarHBondContact O-N 2.51Å; Y25-S28 VanDerWaalsContact O-N 3.1Å; Y25-S28 VanDerWaalsContact O-O 3.07Å; Y25-L50 HydrophobicContact CD1-CD2 4.17Å; Y25-L50 HydrophobicContact CD2-CD2 3.46Å; Y25-L50 VanDerWaalsContact CD2-CD2 3.46Å; Y25-L50 HydrophobicContact CE2-CD2 3.97Å; Y25-L50 HydrophobicContact CG-CD2 3.56Å
26P96.9Very high97.4Very high85 Ų8555.9 Ų55.955%0.55227%0.273SS*.THydrogen-bonded Turntrans-62.7-31.9-173.523.7-33.9000113.3R22 S28R22-P26 PolarHBondContact NH1-O 2.9Å; R22-P26 WeakPolarHBondContact O-CA 3.11Å; P26-S28 PolarHBondContact O-N 2.85Å
27S97.4Very high96.9Very high92 Ų9257 Ų5764%0.64329%0.288SS*.THydrogen-bonded Turntrans-82.58178.8-48.30000114.3Y25 S53Y25-S27 VanDerWaalsContact C-N 3.26Å; Y25-S27 PolarHBondContact O-N 2.6Å; S27-S53 PolarHBondContact O-N 3.38Å; S27-S53 VanDerWaalsContact O-N 3.08Å; S27-S53 PolarHBondContact O-OG 2.98Å; S27-S53 VanDerWaalsContact O-OG 3.12Å
28S98Very high96.3Very high25 Ų2560.4 Ų60.418%0.17530%0.299CS..EExtended strand (participates in β ladder)trans-134.1142.8179.8-54.60000112.4R22 Y25 P26 V51R22-S28 PolarHBondContact NH1-O 2.98Å; Y25-S28 PolarHBondContact O-N 2.51Å; Y25-S28 VanDerWaalsContact O-N 3.1Å; Y25-S28 VanDerWaalsContact O-O 3.07Å; P26-S28 PolarHBondContact O-N 2.85Å; S28-V51 CarbonylContact C-O 3.52Å; S28-V51 WeakPolarHBondContact CA-O 3.18Å; S28-V51 WeakPolarHBondContact CB-O 3.21Å
29V98.1Very high96Very high2 Ų260.7 Ų60.71%0.01230%0.301CS..EExtended strand (participates in β ladder)trans-99.4131.2-179.3-63.50000110.5V31 V51 M91 Y95V29-V31 HydrophobicContact CG2-CG2 3.89Å; V29-V51 HydrophobicContact CG2-CB 4.08Å; V29-V51 PolarHBondContact N-O 3.08Å; V29-V51 PolarHBondContact O-N 3.36Å; V29-M91 HydrophobicContact CG2-CB 3.93Å; V29-Y95 HydrophobicContact CB-CD2 3.72Å; V29-Y95 HydrophobicContact CB-CE2 4.45Å; V29-Y95 HydrophobicContact CB-CG 3.95Å; V29-Y95 HydrophobicContact CG1-CD1 4.09Å; V29-Y95 HydrophobicContact CG1-CD2 3.86Å; V29-Y95 HydrophobicContact CG1-CG 3.56Å
30P98.4Very high95.6Very high0 Ų064 Ų640%031%0.309CS..EExtended strand (participates in β ladder)trans-78.4127.9172.133.7-35.7000109.7I21 R22 Y49 Y95 L103 F104 L105I21-P30 HydrophobicContact CG2-CB 3.76Å; I21-P30 HydrophobicContact CG2-CG 3.85Å; R22-P30 HydrophobicContact CG-CG 4.24Å; P30-Y49 WeakPolarHBondContact CA-O 3.39Å; P30-Y95 HydrophobicContact CG-CE2 4.19Å; P30-L103 WeakPolarHBondContact CG-O 3.35Å; P30-F104 HydrophobicContact CB-CD1 3.69Å; P30-F104 HydrophobicContact CB-CE1 3.68Å; P30-F104 HydrophobicContact CB-CG 4.45Å; P30-F104 HydrophobicContact CB-CZ 4.41Å; P30-F104 HydrophobicContact CG-CD1 4.27Å; P30-L105 PolarHBondContact O-N 3.14Å
31V98.5Very high95.1Very high0 Ų059.9 Ų59.90%029%0.287CS..EExtended strand (participates in β ladder)trans-129.2131-173.4-171.10000109.6V29 V33 Y49 V51 F60 M91 L105 I107V29-V31 HydrophobicContact CG2-CG2 3.89Å; V31-V33 HydrophobicContact CG1-CG2 3.82Å; V31-Y49 PolarHBondContact N-O 2.98Å; V31-Y49 PolarHBondContact O-N 2.8Å; V31-V51 HydrophobicContact CB-CG2 4.34Å; V31-V51 HydrophobicContact CG2-CB 4.32Å; V31-V51 HydrophobicContact CG2-CG2 3.8Å; V31-F60 HydrophobicContact CG1-CE1 4.33Å; V31-F60 HydrophobicContact CG1-CZ 4.42Å; V31-M91 HydrophobicContact CG1-CE 4.36Å; V31-M91 HydrophobicContact CG2-CE 3.85Å; V31-L105 CarbonylContact C-O 3.47Å; V31-L105 VanDerWaalsContact CA-O 3.31Å; V31-L105 WeakPolarHBondContact CA-O 3.35Å; V31-L105 HydrophobicContact CG1-CD2 4.47Å; V31-L105 HydrophobicContact CG1-CG 4.5Å; V31-L105 HydrophobicContact CG2-CB 4.37Å; V31-L105 HydrophobicContact CG2-CD2 4.34Å; V31-I107 HydrophobicContact CG1-CD1 3.67Å; V31-I107 HydrophobicContact CG1-CG1 3.87Å
32I98.2Very high94.8Very high0 Ų060 Ų600%030%0.297CS..EExtended strand (participates in β ladder)trans-101.8122.4168.3-57.5-56.3000108F3 Y5 E34 N47 K48 F104 L105 Y106 I107F3-I32 HydrophobicContact CD1-CG2 4.43Å; Y5-I32 HydrophobicContact CD1-CD1 4.03Å; Y5-I32 HydrophobicContact CD1-CG1 3.88Å; Y5-I32 HydrophobicContact CD2-CD1 3.86Å; Y5-I32 HydrophobicContact CD2-CG1 4.46Å; Y5-I32 HydrophobicContact CD2-CG2 4.49Å; Y5-I32 HydrophobicContact CE1-CD1 3.89Å; Y5-I32 HydrophobicContact CE1-CG1 4.04Å; Y5-I32 HydrophobicContact CE2-CD1 3.72Å; Y5-I32 HydrophobicContact CG-CD1 4.01Å; Y5-I32 HydrophobicContact CG-CG1 4.1Å; Y5-I32 HydrophobicContact CG-CG2 4.05Å; I32-E34 HydrophobicContact CG2-CG 4.08Å; I32-N47 CarbonylContact C-O 3.5Å; I32-N47 WeakPolarHBondContact CA-O 3.44Å; I32-K48 HydrophobicContact CD1-CB 3.78Å; I32-K48 HydrophobicContact CD1-CD 4.06Å; I32-K48 HydrophobicContact CD1-CG 3.76Å; I32-F104 HydrophobicContact CD1-CD1 3.75Å; I32-F104 HydrophobicContact CD1-CE1 3.94Å; I32-F104 HydrophobicContact CG1-CB 4.22Å; I32-F104 HydrophobicContact CG1-CD1 3.68Å; I32-F104 HydrophobicContact CG1-CE1 4.36Å; I32-F104 HydrophobicContact CG1-CG 4.16Å; I32-L105 PolarHBondContact N-O 3.45Å; I32-Y106 HydrophobicContact CB-CD1 3.78Å; I32-Y106 HydrophobicContact CB-CE1 3.87Å; I32-Y106 HydrophobicContact CB-CG 4.5Å; I32-Y106 HydrophobicContact CG1-CD1 4.28Å; I32-Y106 HydrophobicContact CG1-CE1 3.89Å; I32-Y106 HydrophobicContact CG2-CD1 3.99Å; I32-Y106 HydrophobicContact CG2-CE1 4.02Å; I32-I107 PolarHBondContact O-N 2.92Å
33V97.6Very high94.4Very high1 Ų162.5 Ų62.51%0.00632%0.316CS..EExtended strand (participates in β ladder)trans-118.1113.8-179.6-173.50000109.1V31 L44 N47 Y49 F60 I64 I107 Y109V31-V33 HydrophobicContact CG1-CG2 3.82Å; V33-L44 HydrophobicContact CB-CD1 4.07Å; V33-L44 HydrophobicContact CG1-CD1 3.64Å; V33-N47 PolarHBondContact N-O 3.01Å; V33-N47 WeakPolarHBondContact O-CA 3.41Å; V33-N47 WeakPolarHBondContact O-CB 3.15Å; V33-Y49 HydrophobicContact CB-CD2 4.16Å; V33-Y49 HydrophobicContact CB-CE2 4.01Å; V33-Y49 HydrophobicContact CG2-CD2 3.72Å; V33-Y49 HydrophobicContact CG2-CE2 4.01Å; V33-F60 HydrophobicContact CG2-CE1 3.78Å; V33-F60 HydrophobicContact CG2-CZ 3.74Å; V33-I64 HydrophobicContact CG1-CD1 4.45Å; V33-I107 VanDerWaalsContact CA-O 3.27Å; V33-I107 WeakPolarHBondContact CA-O 3.38Å; V33-I107 HydrophobicContact CG2-CB 4.39Å; V33-Y109 HydrophobicContact CG1-CD1 3.77Å; V33-Y109 HydrophobicContact CG1-CE1 4.32Å
34E96.5Very high94.2Very high20 Ų2055 Ų559%0.09328%0.284CS..EExtended strand (participates in β ladder)trans-127.7149.6-179.1-70.3-172.9174.100112.3M1 F3 Q4 Y5 I32 N47 I107 A108 Y109M1-E34 HydrophobicContact CE-CB 4.38Å; F3-E34 WeakPolarHBondContact CA-OE2 3.42Å; F3-E34 HydrophobicContact CD1-CB 3.9Å; F3-E34 HydrophobicContact CD1-CG 4.05Å; F3-E34 WeakPolarHBondContact CD1-OE2 3.2Å; F3-E34 HydrophobicContact CE1-CB 4.13Å; Q4-E34 PolarHBondContact N-OE2 3.26Å; Y5-E34 VanDerWaalsContact CB-OE1 3.28Å; Y5-E34 WeakPolarHBondContact CB-OE1 3.3Å; Y5-E34 PolarHBondContact N-OE1 2.89Å; I32-E34 HydrophobicContact CG2-CG 4.08Å; E34-N47 HydrophobicContact CG-CB 4.15Å; E34-N47 PolarHBondContact OE1-ND2 3.25Å; E34-I107 PolarHBondContact N-O 3.2Å; E34-A108 CarbonylContact O-C 3.53Å; E34-A108 VanDerWaalsContact O-CA 3.26Å; E34-A108 WeakPolarHBondContact O-CA 3.42Å; E34-Y109 VanDerWaalsContact C-CE1 3.41Å; E34-Y109 WeakPolarHBondContact O-CD1 3.36Å; E34-Y109 PolarHBondContact O-N 2.75Å
35K94.7Very high93.8Very high63 Ų6356.9 Ų56.927%0.27430%0.295SS..EExtended strand (participates in β ladder)trans-71.6135.9178.1-164173.169.5146.90109.8M1 A39 V41 N43 Y109M1-K35 WeakPolarHBondContact CE-O 3.26Å; K35-A39 HydrophobicContact CD-CB 4.22Å; K35-A39 HydrophobicContact CG-CB 3.87Å; K35-A39 PolarHBondContact NZ-O 3.25Å; K35-V41 HydrophobicContact CD-CG2 3.9Å; K35-V41 WeakPolarHBondContact CD-O 2.9Å; K35-V41 HydrophobicContact CG-CG2 4.21Å; K35-V41 PolarHBondContact NZ-O 2.8Å; K35-N43 WeakPolarHBondContact CE-OD1 3.33Å; K35-Y109 HydrophobicContact CB-CD1 4.42Å; K35-Y109 HydrophobicContact CB-CE1 3.71Å; K35-Y109 HydrophobicContact CB-CE2 3.96Å; K35-Y109 VanDerWaalsContact CB-CZ 3.45Å; K35-Y109 HydrophobicContact CD-CE2 4.05Å; K35-Y109 HydrophobicContact CG-CD2 4.22Å; K35-Y109 HydrophobicContact CG-CE1 4.3Å; K35-Y109 HydrophobicContact CG-CE2 3.63Å
36S92.6Very high93.5Very high5 Ų558.2 Ų58.24%0.03530%0.303CS..  trans-60.8136.9167.5177.60000109.7R38 A39 Y109S36-R38 PolarHBondContact O-N 2.83Å; S36-A39 WeakPolarHBondContact O-CB 3.31Å; S36-A39 PolarHBondContact O-N 3.1Å; S36-Y109 WeakPolarHBondContact CB-O 2.98Å; S36-Y109 PolarHBondContact N-O 2.81Å
37P88Confident93.4Very high114 Ų11456.8 Ų56.874%0.7429%0.291SS*.THydrogen-bonded Turntrans-56.4-26.5179.2-26.934.6000114.3
38R85.5Confident93.4Very high126 Ų12656.2 Ų56.248%0.47528%0.276SS..THydrogen-bonded Turntrans-86.6-9.8180-61.4-176.2-177.7179.20.8113.3S36 E119S36-R38 PolarHBondContact O-N 2.83Å; R38-E119 IonicContact NH2-OE2 3.37Å; R38-E119 PolarHBondContact NH2-OE2 2.88Å
39A90.8Very high93.4Very high5 Ų556.6 Ų56.64%0.04127%0.274CS..  trans-81.3135-172.500000112.6K35 S36 V41 D111K35-A39 HydrophobicContact CD-CB 4.22Å; K35-A39 HydrophobicContact CG-CB 3.87Å; K35-A39 PolarHBondContact NZ-O 3.25Å; S36-A39 WeakPolarHBondContact O-CB 3.31Å; S36-A39 PolarHBondContact O-N 3.1Å; A39-V41 HydrophobicContact CB-CG2 3.99Å; A39-D111 WeakPolarHBondContact CA-OD1 3.16Å; A39-D111 WeakPolarHBondContact CB-OD1 3.04Å
40R89.9Confident93.4Very high177 Ų17759.6 Ų59.667%0.66829%0.29SS*.  trans-90.9-2.6-179.5-68176.6-68-98-17.4113.5D111 E112R40-D111 IonicContact CZ-OD2 3.01Å; R40-D111 PolarHBondContact N-OD1 3.04Å; R40-D111 IonicContact NE-OD2 3.55Å; R40-D111 PolarHBondContact NE-OD2 2.82Å; R40-D111 IonicContact NH2-OD2 2.95Å; R40-D111 PolarHBondContact NH2-OD2 3.15Å; R40-E112 IonicContact CZ-OE1 2.6Å; R40-E112 IonicContact NH1-OE1 3.54Å; R40-E112 PolarHBondContact NH1-OE1 2.99Å; R40-E112 IonicContact NH2-OE1 2.79Å; R40-E112 PolarHBondContact NH2-OE1 2.82Å
41V89.1Confident93.4Very high9 Ų959.9 Ų59.96%0.05529%0.292CS..SBendtrans-68.9162.5176.3-60.80000113K35 A39 L70 Y109 D111K35-V41 HydrophobicContact CD-CG2 3.9Å; K35-V41 WeakPolarHBondContact CD-O 2.9Å; K35-V41 HydrophobicContact CG-CG2 4.21Å; K35-V41 PolarHBondContact NZ-O 2.8Å; A39-V41 HydrophobicContact CB-CG2 3.99Å; V41-L70 HydrophobicContact CB-CD1 3.96Å; V41-L70 HydrophobicContact CG1-CD1 3.82Å; V41-Y109 HydrophobicContact CG2-CD2 3.69Å; V41-Y109 HydrophobicContact CG2-CE2 3.4Å; V41-Y109 VanDerWaalsContact CG2-CE2 3.4Å; V41-D111 HydrophobicContact CG1-CB 3.63Å
42G89.2Confident93.4Very high37 Ų3762.7 Ų62.738%0.38131%0.31SS..PPolyproline II helixtrans-60.4159.8177.100000114Y109G42-Y109 PolarHBondContact O-OH 2.77Å
43N89.2Confident93.4Very high121 Ų12164.2 Ų64.265%0.64732%0.321SS*.PPolyproline II helixtrans-87.2145.1178.3-66.8-37.1000111.3K35 Y109K35-N43 WeakPolarHBondContact CE-OD1 3.33Å; N43-Y109 WeakPolarHBondContact CA-OH 3.18Å
44L92.9Very high93.4Very high26 Ų2670.2 Ų70.214%0.13635%0.353CS..PPolyproline II helixtrans-78.3134.5166.1-71170.9000110.4V33 K46 Y49 I64 K67 I68 Y109V33-L44 HydrophobicContact CB-CD1 4.07Å; V33-L44 HydrophobicContact CG1-CD1 3.64Å; L44-K46 VanDerWaalsContact C-N 3.26Å; L44-K46 WeakPolarHBondContact CB-O 3.21Å; L44-K46 PolarHBondContact O-N 2.91Å; L44-Y49 HydrophobicContact CD1-CE2 4.35Å; L44-I64 HydrophobicContact CD1-CD1 4.27Å; L44-I64 HydrophobicContact CD1-CG2 4.25Å; L44-I64 HydrophobicContact CD2-CG2 4.33Å; L44-K67 HydrophobicContact CD2-CB 3.73Å; L44-I68 HydrophobicContact CD2-CD1 4.13Å; L44-I68 HydrophobicContact CD2-CG1 3.48Å; L44-I68 VanDerWaalsContact CD2-CG1 3.48Å; L44-I68 HydrophobicContact CG-CD1 4.21Å; L44-I68 HydrophobicContact CG-CG1 3.91Å; L44-Y109 HydrophobicContact CD1-CD1 4.29Å; L44-Y109 HydrophobicContact CD1-CE1 3.68Å; L44-Y109 HydrophobicContact CG-CE1 4.04Å; L44-Y109 PolarHBondContact N-OH 2.7Å
45E89.8Confident93.4Very high187 Ų18770.7 Ų70.787%0.87436%0.356SS*.SBendtrans-64.1-33.1172.4-168.4-161.2155.700112
46K93.2Very high93.6Very high128 Ų12869.6 Ų69.656%0.55736%0.355SS*.  trans-128.8131.7178.2-61.9-178.7-176.5177.50109.2L44 Y49L44-K46 VanDerWaalsContact C-N 3.26Å; L44-K46 WeakPolarHBondContact CB-O 3.21Å; L44-K46 PolarHBondContact O-N 2.91Å; K46-Y49 WeakPolarHBondContact O-CE2 3.5Å; K46-Y49 PolarHBondContact O-OH 3.35Å
47N94.8Very high93.9Very high54 Ų5469.4 Ų69.429%0.28935%0.353SS..  trans-99.3-17.8177.862.2-10.3000113.3I32 V33 E34 Y49I32-N47 CarbonylContact C-O 3.5Å; I32-N47 WeakPolarHBondContact CA-O 3.44Å; V33-N47 PolarHBondContact N-O 3.01Å; V33-N47 WeakPolarHBondContact O-CA 3.41Å; V33-N47 WeakPolarHBondContact O-CB 3.15Å; E34-N47 HydrophobicContact CG-CB 4.15Å; E34-N47 PolarHBondContact OE1-ND2 3.25Å; N47-Y49 WeakPolarHBondContact O-CD2 3.21Å
48K96.8Very high94.3Very high80 Ų8065.3 Ų65.335%0.34833%0.331SS..EExtended strand (participates in β ladder)trans-100.2127.2-179.2-176.516758.1-176.70112Y5 E17 I32 F104Y5-K48 HydrophobicContact CE2-CD 4.44Å; E17-K48 WeakPolarHBondContact OE1-CE 3.45Å; E17-K48 IonicContact OE1-NZ 3.42Å; E17-K48 PolarHBondContact OE1-NZ 2.85Å; E17-K48 IonicContact OE2-NZ 2.64Å; E17-K48 PolarHBondContact OE2-NZ 3.14Å; I32-K48 HydrophobicContact CD1-CB 3.78Å; I32-K48 HydrophobicContact CD1-CD 4.06Å; I32-K48 HydrophobicContact CD1-CG 3.76Å; K48-F104 HydrophobicContact CD-CE1 3.93Å; K48-F104 HydrophobicContact CD-CZ 4.37Å; K48-F104 HydrophobicContact CG-CE1 4.31Å
49Y97.8Very high94.9Very high33 Ų3364 Ų6413%0.12933%0.33CS..EExtended strand (participates in β ladder)trans-129150.8-176.3-64.6-89.3000111.2P30 V31 V33 L44 K46 N47 F60 I64 K67P30-Y49 WeakPolarHBondContact CA-O 3.39Å; V31-Y49 PolarHBondContact N-O 2.98Å; V31-Y49 PolarHBondContact O-N 2.8Å; V33-Y49 HydrophobicContact CB-CD2 4.16Å; V33-Y49 HydrophobicContact CB-CE2 4.01Å; V33-Y49 HydrophobicContact CG2-CD2 3.72Å; V33-Y49 HydrophobicContact CG2-CE2 4.01Å; L44-Y49 HydrophobicContact CD1-CE2 4.35Å; K46-Y49 WeakPolarHBondContact O-CE2 3.5Å; K46-Y49 PolarHBondContact O-OH 3.35Å; N47-Y49 WeakPolarHBondContact O-CD2 3.21Å; Y49-F60 HydrophobicContact CD2-CZ 4.5Å; Y49-F60 HydrophobicContact CG-CZ 4.36Å; Y49-I64 HydrophobicContact CE1-CD1 4.24Å; Y49-I64 HydrophobicContact CE2-CD1 4.1Å; Y49-K67 HydrophobicContact CE1-CD 3.91Å
50L97.8Very high95.2Very high66 Ų6663.9 Ų63.935%0.34633%0.329SS..EExtended strand (participates in β ladder)trans-117.6116166.1-174.765.7000107I21 Y25I21-L50 HydrophobicContact CD1-CD1 4.06Å; I21-L50 HydrophobicContact CD1-CD2 4.44Å; I21-L50 HydrophobicContact CG1-CD1 4.11Å; I21-L50 HydrophobicContact CG1-CD2 4.5Å; Y25-L50 HydrophobicContact CD1-CD2 4.17Å; Y25-L50 HydrophobicContact CD2-CD2 3.46Å; Y25-L50 VanDerWaalsContact CD2-CD2 3.46Å; Y25-L50 HydrophobicContact CE2-CD2 3.97Å; Y25-L50 HydrophobicContact CG-CD2 3.56Å
51V98Very high95.5Very high5 Ų557 Ų573%0.0330%0.303CS..EExtended strand (participates in β ladder)trans-119.1135.2-166.9-170.60000109.8S28 V29 V31 S53 L55 F60 M91S28-V51 CarbonylContact C-O 3.52Å; S28-V51 WeakPolarHBondContact CA-O 3.18Å; S28-V51 WeakPolarHBondContact CB-O 3.21Å; V29-V51 HydrophobicContact CG2-CB 4.08Å; V29-V51 PolarHBondContact N-O 3.08Å; V29-V51 PolarHBondContact O-N 3.36Å; V31-V51 HydrophobicContact CB-CG2 4.34Å; V31-V51 HydrophobicContact CG2-CB 4.32Å; V31-V51 HydrophobicContact CG2-CG2 3.8Å; V51-S53 PolarHBondContact O-N 3.28Å; V51-L55 HydrophobicContact CG1-CB 4.09Å; V51-L55 HydrophobicContact CG1-CD2 3.41Å; V51-L55 VanDerWaalsContact CG1-CD2 3.41Å; V51-L55 HydrophobicContact CG1-CG 4.37Å; V51-F60 HydrophobicContact CG1-CD2 4.03Å; V51-F60 HydrophobicContact CG1-CE2 4.35Å; V51-F60 HydrophobicContact CG2-CD2 4.05Å; V51-F60 HydrophobicContact CG2-CE2 3.52Å; V51-F60 HydrophobicContact CG2-CZ 4.05Å; V51-M91 HydrophobicContact CG1-CB 4.25Å; V51-M91 HydrophobicContact CG1-CG 3.91Å
52P98.3Very high95.8Very high59 Ų5963.2 Ų63.238%0.38333%0.33SS..EExtended strand (participates in β ladder)trans-55.6135.8173.3-24.334.4000111.7D54 L55P52-D54 WeakPolarHBondContact CB-OD1 3.4Å; P52-D54 PolarHBondContact O-N 2.91Å; P52-L55 HydrophobicContact CB-CB 4.37Å; P52-L55 WeakPolarHBondContact O-CB 3.47Å; P52-L55 PolarHBondContact O-N 3.33Å
53S98.2Very high96.1Very high33 Ų3365.4 Ų65.423%0.23133%0.332CS..THydrogen-bonded Turntrans-64.9-23.9-175.8-62.40000113.5S27 V51 T90 G92S27-S53 PolarHBondContact O-N 3.38Å; S27-S53 VanDerWaalsContact O-N 3.08Å; S27-S53 PolarHBondContact O-OG 2.98Å; S27-S53 VanDerWaalsContact O-OG 3.12Å; V51-S53 PolarHBondContact O-N 3.28Å; S53-T90 WeakPolarHBondContact O-CB 3.37Å; S53-T90 PolarHBondContact O-OG1 3.09Å; S53-G92 WeakPolarHBondContact O-CA 3.43Å; S53-G92 PolarHBondContact O-N 3.47Å
54D97.6Very high96.4Very high126 Ų12659.7 Ų59.767%0.67430%0.302SS*.THydrogen-bonded Turntrans-87.3-14.3179.562-33.7000113.4P52 T56P52-D54 WeakPolarHBondContact CB-OD1 3.4Å; P52-D54 PolarHBondContact O-N 2.91Å; D54-T56 PolarHBondContact O-N 3.23Å
55L98.2Very high96.4Very high31 Ų3162.2 Ų62.216%0.16231%0.31CS..SBendtrans-60134.7175-165.579000109.6V51 P52 Q59 F60 L63 T90 M91V51-L55 HydrophobicContact CG1-CB 4.09Å; V51-L55 HydrophobicContact CG1-CD2 3.41Å; V51-L55 VanDerWaalsContact CG1-CD2 3.41Å; V51-L55 HydrophobicContact CG1-CG 4.37Å; P52-L55 HydrophobicContact CB-CB 4.37Å; P52-L55 WeakPolarHBondContact O-CB 3.47Å; P52-L55 PolarHBondContact O-N 3.33Å; L55-Q59 HydrophobicContact CD1-CB 3.74Å; L55-Q59 HydrophobicContact CD1-CG 4.43Å; L55-Q59 HydrophobicContact CD2-CB 4.47Å; L55-Q59 HydrophobicContact CG-CB 3.86Å; L55-F60 HydrophobicContact CD2-CB 3.99Å; L55-F60 HydrophobicContact CD2-CD2 4.11Å; L55-L63 HydrophobicContact CD2-CD1 4.03Å; L55-T90 CarbonylContact O-C 3.51Å; L55-T90 WeakPolarHBondContact O-CA 3.44Å; L55-M91 HydrophobicContact CB-CG 4.34Å; L55-M91 WeakPolarHBondContact O-CG 3.48Å; L55-M91 PolarHBondContact O-N 3.36Å
56T98.5Very high96.6Very high40 Ų4060.8 Ų60.825%0.24530%0.3CS..BIsolated β-bridgetrans-78.1154.9175.670.30000111.6D54 G58 Q59 F60 A89D54-T56 PolarHBondContact O-N 3.23Å; T56-G58 PolarHBondContact O-N 3.17Å; T56-Q59 PolarHBondContact O-N 3.13Å; T56-Q59 VanDerWaalsContact O-N 3.15Å; T56-Q59 VanDerWaalsContact OG1-CG 3.3Å; T56-Q59 WeakPolarHBondContact OG1-CG 3.26Å; T56-Q59 PolarHBondContact OG1-N 3.42Å; T56-Q59 VanDerWaalsContact OG1-N 3.14Å; T56-Q59 PolarHBondContact OG1-OE1 2.95Å; T56-F60 PolarHBondContact O-N 3.06Å; T56-A89 CarbonylContact C-O 3.56Å; T56-A89 VanDerWaalsContact CA-O 3.27Å; T56-A89 WeakPolarHBondContact CA-O 3.15Å
57V98Very high96.7Very high1 Ų160.1 Ų60.11%0.00630%0.298CS..Hα-helixtrans-56.2-40.8172.4171.40000110.3Q59 F60 Y61 F78 P85 A89 M91 L94V57-Q59 PolarHBondContact O-N 2.69Å; V57-F60 WeakPolarHBondContact O-CB 3.4Å; V57-F60 PolarHBondContact O-N 2.91Å; V57-F60 VanDerWaalsContact O-N 3.17Å; V57-Y61 HydrophobicContact CG1-CD2 3.83Å; V57-Y61 HydrophobicContact CG1-CE2 3.81Å; V57-Y61 WeakPolarHBondContact O-CD2 3.18Å; V57-Y61 PolarHBondContact O-N 2.76Å; V57-F78 HydrophobicContact CG1-CD2 4.48Å; V57-P85 HydrophobicContact CG1-CB 4.24Å; V57-P85 HydrophobicContact CG1-CG 3.87Å; V57-P85 HydrophobicContact CG2-CB 4.43Å; V57-A89 HydrophobicContact CG2-CB 4.34Å; V57-A89 WeakPolarHBondContact CG2-O 3.36Å; V57-A89 PolarHBondContact N-O 3.45Å; V57-M91 HydrophobicContact CG2-SD 3.95Å; V57-L94 HydrophobicContact CG2-CD2 3.78Å
58G97.6Very high96.6Very high27 Ų2758.4 Ų58.428%0.27829%0.288SS..Hα-helixtrans-62.2-39.717600000113.8T56 Y61 F62 T87T56-G58 PolarHBondContact O-N 3.17Å; G58-Y61 WeakPolarHBondContact O-CB 3.27Å; G58-Y61 PolarHBondContact O-N 2.93Å; G58-F62 PolarHBondContact O-N 2.81Å; G58-T87 PolarHBondContact N-O 3.38Å
59Q97.8Very high96.4Very high98 Ų9862.6 Ų62.646%0.45831%0.309SS..Hα-helixtrans-66.5-39.9172.5-72.6167.9-32.500111.3L55 T56 V57 F62 L63L55-Q59 HydrophobicContact CD1-CB 3.74Å; L55-Q59 HydrophobicContact CD1-CG 4.43Å; L55-Q59 HydrophobicContact CD2-CB 4.47Å; L55-Q59 HydrophobicContact CG-CB 3.86Å; T56-Q59 PolarHBondContact O-N 3.13Å; T56-Q59 VanDerWaalsContact O-N 3.15Å; T56-Q59 VanDerWaalsContact OG1-CG 3.3Å; T56-Q59 WeakPolarHBondContact OG1-CG 3.26Å; T56-Q59 PolarHBondContact OG1-N 3.42Å; T56-Q59 VanDerWaalsContact OG1-N 3.14Å; T56-Q59 PolarHBondContact OG1-OE1 2.95Å; V57-Q59 PolarHBondContact O-N 2.69Å; Q59-F62 WeakPolarHBondContact O-CB 3.25Å; Q59-F62 PolarHBondContact O-N 2.79Å; Q59-L63 WeakPolarHBondContact O-CG 3.45Å; Q59-L63 PolarHBondContact O-N 2.87Å; Q59-L63 VanDerWaalsContact O-N 3.16Å
60F97.5Very high96.1Very high4 Ų461.9 Ų61.92%0.01831%0.307CS..Hα-helixtrans-64.5-40.5176.3-167.9-120.3000112.3V31 V33 Y49 V51 L55 T56 V57 F62 L63 I64 F78 M91 I107V31-F60 HydrophobicContact CG1-CE1 4.33Å; V31-F60 HydrophobicContact CG1-CZ 4.42Å; V33-F60 HydrophobicContact CG2-CE1 3.78Å; V33-F60 HydrophobicContact CG2-CZ 3.74Å; Y49-F60 HydrophobicContact CD2-CZ 4.5Å; Y49-F60 HydrophobicContact CG-CZ 4.36Å; V51-F60 HydrophobicContact CG1-CD2 4.03Å; V51-F60 HydrophobicContact CG1-CE2 4.35Å; V51-F60 HydrophobicContact CG2-CD2 4.05Å; V51-F60 HydrophobicContact CG2-CE2 3.52Å; V51-F60 HydrophobicContact CG2-CZ 4.05Å; L55-F60 HydrophobicContact CD2-CB 3.99Å; L55-F60 HydrophobicContact CD2-CD2 4.11Å; T56-F60 PolarHBondContact O-N 3.06Å; V57-F60 WeakPolarHBondContact O-CB 3.4Å; V57-F60 PolarHBondContact O-N 2.91Å; V57-F60 VanDerWaalsContact O-N 3.17Å; F60-F62 VanDerWaalsContact C-N 3.31Å; F60-F62 PolarHBondContact O-N 2.99Å; F60-L63 PolarHBondContact O-N 3.19Å; F60-L63 VanDerWaalsContact O-N 3.17Å; F60-I64 HydrophobicContact CD1-CG1 4.34Å; F60-I64 HydrophobicContact CE1-CD1 4.35Å; F60-I64 HydrophobicContact CE1-CG1 3.97Å; F60-I64 HydrophobicContact CE2-CD1 4.18Å; F60-I64 HydrophobicContact CE2-CG1 4.26Å; F60-I64 HydrophobicContact CZ-CD1 3.86Å; F60-I64 HydrophobicContact CZ-CG1 3.94Å; F60-I64 WeakPolarHBondContact O-CG1 3.32Å; F60-I64 PolarHBondContact O-N 3.44Å; F60-F78 AromaticContact CD1-CE2 3.62Å; F60-F78 HydrophobicContact CD1-CE2 3.62Å; F60-F78 HydrophobicContact CD1-CZ 4.17Å; F60-F78 HydrophobicContact CE1-CE2 4.21Å; F60-F78 HydrophobicContact CE1-CZ 4.43Å; F60-F78 HydrophobicContact CG-CE2 4.48Å; F60-M91 HydrophobicContact CB-CG 4.34Å; F60-M91 HydrophobicContact CB-SD 3.89Å; F60-M91 HydrophobicContact CD1-CE 3.73Å; F60-M91 HydrophobicContact CD1-SD 3.94Å; F60-M91 HydrophobicContact CE1-CE 4.03Å; F60-M91 HydrophobicContact CG-CE 4.1Å; F60-M91 HydrophobicContact CG-SD 4.01Å; F60-I107 HydrophobicContact CD1-CD1 4.28Å; F60-I107 HydrophobicContact CE1-CD1 4Å
61Y95.3Very high95.7Very high32 Ų3263.4 Ų63.413%0.12532%0.316CS..Hα-helixtrans-51.4-49.7170-99.1-75.1000111.9V57 G58 L63 I64 R65 L76 F77 F78 T87V57-Y61 HydrophobicContact CG1-CD2 3.83Å; V57-Y61 HydrophobicContact CG1-CE2 3.81Å; V57-Y61 WeakPolarHBondContact O-CD2 3.18Å; V57-Y61 PolarHBondContact O-N 2.76Å; G58-Y61 WeakPolarHBondContact O-CB 3.27Å; G58-Y61 PolarHBondContact O-N 2.93Å; Y61-L63 VanDerWaalsContact C-N 3.3Å; Y61-L63 PolarHBondContact O-N 3.25Å; Y61-I64 PolarHBondContact O-N 3.12Å; Y61-R65 WeakPolarHBondContact O-CB 3.36Å; Y61-R65 PolarHBondContact O-N 3.08Å; Y61-L76 HydrophobicContact CD1-CD2 4.26Å; Y61-L76 HydrophobicContact CD1-CG 4.41Å; Y61-L76 HydrophobicContact CE1-CG 4.39Å; Y61-L76 WeakPolarHBondContact CE1-O 3.38Å; Y61-F77 WeakPolarHBondContact OH-CA 3.47Å; Y61-F78 HydrophobicContact CD1-CD1 4.08Å; Y61-F78 AromaticContact CD1-CD2 3.98Å; Y61-F78 HydrophobicContact CD1-CD2 3.98Å; Y61-F78 AromaticContact CD1-CE1 3.95Å; Y61-F78 HydrophobicContact CD1-CE1 3.95Å; Y61-F78 AromaticContact CD1-CE2 3.84Å; Y61-F78 HydrophobicContact CD1-CE2 3.84Å; Y61-F78 HydrophobicContact CD1-CG 4.09Å; Y61-F78 AromaticContact CD1-CZ 3.83Å; Y61-F78 HydrophobicContact CD1-CZ 3.83Å; Y61-F78 AromaticContact CD2-CD2 3.65Å; Y61-F78 HydrophobicContact CD2-CD2 3.65Å; Y61-F78 AromaticContact CD2-CE2 3.79Å; Y61-F78 HydrophobicContact CD2-CE2 3.79Å; Y61-F78 HydrophobicContact CD2-CG 4.33Å; Y61-F78 HydrophobicContact CE1-CB 4.08Å; Y61-F78 AromaticContact CE1-CD1 3.67Å; Y61-F78 HydrophobicContact CE1-CD1 3.67Å; Y61-F78 AromaticContact CE1-CD2 3.85Å; Y61-F78 HydrophobicContact CE1-CD2 3.85Å; Y61-F78 HydrophobicContact CE1-CE1 4.02Å; Y61-F78 HydrophobicContact CE1-CE2 4.18Å; Y61-F78 AromaticContact CE1-CG 3.58Å; Y61-F78 HydrophobicContact CE1-CG 3.58Å; Y61-F78 HydrophobicContact CE1-CZ 4.26Å; Y61-F78 HydrophobicContact CE2-CB 4.03Å; Y61-F78 AromaticContact CE2-CD2 3.53Å; Y61-F78 HydrophobicContact CE2-CD2 3.53Å; Y61-F78 HydrophobicContact CE2-CE2 4.15Å; Y61-F78 AromaticContact CE2-CG 3.87Å; Y61-F78 HydrophobicContact CE2-CG 3.87Å; Y61-F78 AromaticContact CG-CD2 3.9Å; Y61-F78 HydrophobicContact CG-CD2 3.9Å; Y61-F78 AromaticContact CG-CE2 3.65Å; Y61-F78 HydrophobicContact CG-CE2 3.65Å; Y61-F78 HydrophobicContact CG-CG 4.46Å; Y61-F78 HydrophobicContact CG-CZ 4.03Å; Y61-F78 AromaticContact CZ-CD2 3.68Å; Y61-F78 AromaticContact CZ-CG 3.51Å; Y61-F78 WeakPolarHBondContact OH-CB 3.21Å; Y61-F78 PolarHBondContact OH-N 3.44Å; Y61-T87 HydrophobicContact CD2-CG2 4.43Å; Y61-T87 HydrophobicContact CE2-CG2 4.3Å
62F94.6Very high95.2Very high139 Ų13968.6 Ų68.661%0.6135%0.35SS*.Hα-helixtrans-59.6-41.8-179.8-179.8-97.2000112G58 Q59 F60 K66G58-F62 PolarHBondContact O-N 2.81Å; Q59-F62 WeakPolarHBondContact O-CB 3.25Å; Q59-F62 PolarHBondContact O-N 2.79Å; F60-F62 VanDerWaalsContact C-N 3.31Å; F60-F62 PolarHBondContact O-N 2.99Å; F62-K66 WeakPolarHBondContact O-CB 3.48Å; F62-K66 PolarHBondContact O-N 2.86Å
63L95.6Very high94.8Very high83 Ų8374.9 Ų74.944%0.43537%0.374SS..Hα-helixtrans-64-44.4177.4-65.5176000112.3L55 Q59 F60 Y61 K66 K67L55-L63 HydrophobicContact CD2-CD1 4.03Å; Q59-L63 WeakPolarHBondContact O-CG 3.45Å; Q59-L63 PolarHBondContact O-N 2.87Å; Q59-L63 VanDerWaalsContact O-N 3.16Å; F60-L63 PolarHBondContact O-N 3.19Å; F60-L63 VanDerWaalsContact O-N 3.17Å; Y61-L63 VanDerWaalsContact C-N 3.3Å; Y61-L63 PolarHBondContact O-N 3.25Å; L63-K66 PolarHBondContact O-N 3.18Å; L63-K67 PolarHBondContact O-N 3.28Å; L63-K67 VanDerWaalsContact O-N 3.09Å
64I95.7Very high94.4Very high1 Ų177.2 Ų77.21%0.00538%0.381CS..Hα-helixtrans-68.3-42.2178.8-64.4-57.8000111V33 L44 Y49 F60 Y61 K66 K67 I68 L76 F78V33-I64 HydrophobicContact CG1-CD1 4.45Å; L44-I64 HydrophobicContact CD1-CD1 4.27Å; L44-I64 HydrophobicContact CD1-CG2 4.25Å; L44-I64 HydrophobicContact CD2-CG2 4.33Å; Y49-I64 HydrophobicContact CE1-CD1 4.24Å; Y49-I64 HydrophobicContact CE2-CD1 4.1Å; F60-I64 HydrophobicContact CD1-CG1 4.34Å; F60-I64 HydrophobicContact CE1-CD1 4.35Å; F60-I64 HydrophobicContact CE1-CG1 3.97Å; F60-I64 HydrophobicContact CE2-CD1 4.18Å; F60-I64 HydrophobicContact CE2-CG1 4.26Å; F60-I64 HydrophobicContact CZ-CD1 3.86Å; F60-I64 HydrophobicContact CZ-CG1 3.94Å; F60-I64 WeakPolarHBondContact O-CG1 3.32Å; F60-I64 PolarHBondContact O-N 3.44Å; Y61-I64 PolarHBondContact O-N 3.12Å; I64-K66 VanDerWaalsContact C-N 3.3Å; I64-K66 PolarHBondContact O-N 3.17Å; I64-K67 WeakPolarHBondContact O-CB 3.35Å; I64-K67 PolarHBondContact O-N 2.85Å; I64-I68 HydrophobicContact CG2-CD1 3.61Å; I64-I68 HydrophobicContact CG2-CG1 4.33Å; I64-I68 WeakPolarHBondContact O-CG1 3.44Å; I64-I68 PolarHBondContact O-N 3.48Å; I64-L76 HydrophobicContact CG2-CD2 4.11Å; I64-F78 HydrophobicContact CB-CE1 4.21Å; I64-F78 HydrophobicContact CB-CZ 3.75Å; I64-F78 HydrophobicContact CG1-CE1 4.4Å; I64-F78 HydrophobicContact CG1-CZ 3.7Å; I64-F78 HydrophobicContact CG2-CE1 3.96Å; I64-F78 HydrophobicContact CG2-CZ 4.02Å
65R94.2Very high94.1Very high79 Ų7973.3 Ų73.330%0.29837%0.367SS..Hα-helixtrans-56.6-45.1175.3-167.2-178.2-169.2168.711.4111.7Y61 K67 I68 Q69 L70 N71 P72 E74 L76Y61-R65 WeakPolarHBondContact O-CB 3.36Å; Y61-R65 PolarHBondContact O-N 3.08Å; R65-K67 VanDerWaalsContact C-N 3.33Å; R65-K67 PolarHBondContact O-N 2.79Å; R65-I68 PolarHBondContact O-N 2.98Å; R65-Q69 PolarHBondContact O-N 2.79Å; R65-Q69 VanDerWaalsContact O-N 3.12Å; R65-L70 HydrophobicContact CG-CB 3.59Å; R65-L70 HydrophobicContact CG-CD2 4.22Å; R65-L70 PolarHBondContact O-N 2.89Å; R65-N71 PolarHBondContact NE-O 3.06Å; R65-N71 PolarHBondContact NH2-O 3.29Å; R65-P72 PolarHBondContact NH2-O 3.33Å; R65-E74 PolarHBondContact NH2-O 2.83Å; R65-L76 HydrophobicContact CB-CD2 4.25Å
66K93.4Very high94Very high157 Ų15772.9 Ų72.968%0.68337%0.365SS*.Hα-helixtrans-62.8-37.6175.9-173.2175.9179.8177.70112.4F62 L63 I64 Q69F62-K66 WeakPolarHBondContact O-CB 3.48Å; F62-K66 PolarHBondContact O-N 2.86Å; L63-K66 PolarHBondContact O-N 3.18Å; I64-K66 VanDerWaalsContact C-N 3.3Å; I64-K66 PolarHBondContact O-N 3.17Å; K66-Q69 PolarHBondContact O-N 3.24Å
67K94.7Very high93.8Very high114 Ų11473.8 Ų73.850%0.49637%0.365SS..Hα-helixtrans-69.4-36.7177.8-82176.5167.2-86.30113.4L44 Y49 L63 I64 R65 Q69L44-K67 HydrophobicContact CD2-CB 3.73Å; Y49-K67 HydrophobicContact CE1-CD 3.91Å; L63-K67 PolarHBondContact O-N 3.28Å; L63-K67 VanDerWaalsContact O-N 3.09Å; I64-K67 WeakPolarHBondContact O-CB 3.35Å; I64-K67 PolarHBondContact O-N 2.85Å; R65-K67 VanDerWaalsContact C-N 3.33Å; R65-K67 PolarHBondContact O-N 2.79Å; K67-Q69 PolarHBondContact O-N 2.81Å
68I93.6Very high93.7Very high18 Ų1873.8 Ų73.89%0.09237%0.365CS..Hα-helixtrans-78.5-10.2176.8-57.8166.1000111.2L44 I64 R65 L70 L76 Y109L44-I68 HydrophobicContact CD2-CD1 4.13Å; L44-I68 HydrophobicContact CD2-CG1 3.48Å; L44-I68 VanDerWaalsContact CD2-CG1 3.48Å; L44-I68 HydrophobicContact CG-CD1 4.21Å; L44-I68 HydrophobicContact CG-CG1 3.91Å; I64-I68 HydrophobicContact CG2-CD1 3.61Å; I64-I68 HydrophobicContact CG2-CG1 4.33Å; I64-I68 WeakPolarHBondContact O-CG1 3.44Å; I64-I68 PolarHBondContact O-N 3.48Å; R65-I68 PolarHBondContact O-N 2.98Å; I68-L70 VanDerWaalsContact C-N 3.25Å; I68-L70 HydrophobicContact CB-CD1 4.33Å; I68-L70 HydrophobicContact CG2-CD1 3.69Å; I68-L70 PolarHBondContact O-N 3.04Å; I68-L76 HydrophobicContact CD1-CD1 4.33Å; I68-L76 HydrophobicContact CD1-CD2 4.47Å; I68-Y109 HydrophobicContact CD1-CD2 3.86Å; I68-Y109 HydrophobicContact CD1-CE1 4.49Å; I68-Y109 HydrophobicContact CD1-CE2 3.42Å; I68-Y109 VanDerWaalsContact CD1-CE2 3.42Å; I68-Y109 HydrophobicContact CG1-CE2 4.5Å
69Q92.1Very high93.6Very high168 Ų16872.8 Ų72.879%0.78535%0.353SS*.THydrogen-bonded Turntrans58.937.8-175.3-52.7179.77.600112.3R65 K66 K67R65-Q69 PolarHBondContact O-N 2.79Å; R65-Q69 VanDerWaalsContact O-N 3.12Å; K66-Q69 PolarHBondContact O-N 3.24Å; K67-Q69 PolarHBondContact O-N 2.81Å
70L91.3Very high93.4Very high18 Ų1868.2 Ų68.29%0.09433%0.332CS..  trans-70.2138.3-179.8-135.894.3000110.8V41 R65 I68 E74 L76V41-L70 HydrophobicContact CB-CD1 3.96Å; V41-L70 HydrophobicContact CG1-CD1 3.82Å; R65-L70 HydrophobicContact CG-CB 3.59Å; R65-L70 HydrophobicContact CG-CD2 4.22Å; R65-L70 PolarHBondContact O-N 2.89Å; I68-L70 VanDerWaalsContact C-N 3.25Å; I68-L70 HydrophobicContact CB-CD1 4.33Å; I68-L70 HydrophobicContact CG2-CD1 3.69Å; I68-L70 PolarHBondContact O-N 3.04Å; L70-E74 HydrophobicContact CD2-CB 3.42Å; L70-E74 VanDerWaalsContact CD2-CB 3.42Å; L70-E74 VanDerWaalsContact CD2-O 3.28Å; L70-E74 WeakPolarHBondContact CD2-O 3.33Å; L70-E74 HydrophobicContact CG-CB 3.63Å; L70-L76 HydrophobicContact CD2-CB 4.1Å
71N89.8Confident93.1Very high98 Ų9873.8 Ų73.852%0.52436%0.356SS..  trans-65.5155174-64.2-62.4000111.1R65 E73 E74R65-N71 PolarHBondContact NE-O 3.06Å; R65-N71 PolarHBondContact NH2-O 3.29Å; N71-E73 PolarHBondContact O-N 2.88Å; N71-E73 VanDerWaalsContact O-N 3.08Å; N71-E74 HydrophobicContact CB-CG 4.12Å; N71-E74 VanDerWaalsContact CB-OE2 3.29Å; N71-E74 WeakPolarHBondContact CB-OE2 3.14Å; N71-E74 PolarHBondContact N-OE2 3.33Å; N71-E74 PolarHBondContact ND2-OE2 2.72Å; N71-E74 PolarHBondContact O-N 3.38Å; N71-E74 VanDerWaalsContact O-N 3.15Å
72P87.7Confident92.8Very high115 Ų11576.4 Ų76.475%0.74737%0.372SS*.THydrogen-bonded Turntrans-57.5-21.4177.1-26.335.7000115R65R65-P72 PolarHBondContact NH2-O 3.33Å
73E89Confident92.6Very high191 Ų19174.7 Ų74.789%0.89337%0.368SS*.THydrogen-bonded Turntrans-92.9-21.8-177.5-47.2-164.5-148.800112.9N71N71-E73 PolarHBondContact O-N 2.88Å; N71-E73 VanDerWaalsContact O-N 3.08Å
74E90.7Very high92.6Very high81 Ų8174.2 Ų74.238%0.37937%0.365SS..SBendtrans-75.7135.4-179.9-70.3176.8110.500110.8R65 L70 N71R65-E74 PolarHBondContact NH2-O 2.83Å; L70-E74 HydrophobicContact CD2-CB 3.42Å; L70-E74 VanDerWaalsContact CD2-CB 3.42Å; L70-E74 VanDerWaalsContact CD2-O 3.28Å; L70-E74 WeakPolarHBondContact CD2-O 3.33Å; L70-E74 HydrophobicContact CG-CB 3.63Å; N71-E74 HydrophobicContact CB-CG 4.12Å; N71-E74 VanDerWaalsContact CB-OE2 3.29Å; N71-E74 WeakPolarHBondContact CB-OE2 3.14Å; N71-E74 PolarHBondContact N-OE2 3.33Å; N71-E74 PolarHBondContact ND2-OE2 2.72Å; N71-E74 PolarHBondContact O-N 3.38Å; N71-E74 VanDerWaalsContact O-N 3.15Å
75A91.7Very high92.6Very high45 Ų4574.4 Ų74.437%0.37237%0.367SS..  trans-80.8148.717900000111.6F77A75-F77 HydrophobicContact CB-CD2 4.43Å; A75-F77 HydrophobicContact CB-CE2 3.66Å; A75-F77 HydrophobicContact CB-CZ 4.23Å
76L94.3Very high92.8Very high22 Ų2274.4 Ų74.412%0.11538%0.377CS..  trans-142.3126.6172-173.569.3000108.1Y61 I64 R65 I68 L70 F78 Y109 S110Y61-L76 HydrophobicContact CD1-CD2 4.26Å; Y61-L76 HydrophobicContact CD1-CG 4.41Å; Y61-L76 HydrophobicContact CE1-CG 4.39Å; Y61-L76 WeakPolarHBondContact CE1-O 3.38Å; I64-L76 HydrophobicContact CG2-CD2 4.11Å; R65-L76 HydrophobicContact CB-CD2 4.25Å; I68-L76 HydrophobicContact CD1-CD1 4.33Å; I68-L76 HydrophobicContact CD1-CD2 4.47Å; L70-L76 HydrophobicContact CD2-CB 4.1Å; L76-F78 HydrophobicContact CD2-CE1 4.13Å; L76-F78 HydrophobicContact CG-CE1 4.42Å; L76-Y109 HydrophobicContact CD1-CD2 3.6Å; L76-Y109 HydrophobicContact CD1-CE2 4.5Å; L76-Y109 HydrophobicContact CD1-CG 4.21Å; L76-S110 CarbonylContact C-O 3.42Å; L76-S110 WeakPolarHBondContact CA-O 3.45Å
77F94.9Very high92.9Very high58 Ų5871.1 Ų71.125%0.25437%0.37SS..EExtended strand (participates in β ladder)trans-122.7138.6176.9-59.8-82.6000109.6Y61 A75 F79 I84 Y109 S110 E112Y61-F77 WeakPolarHBondContact OH-CA 3.47Å; A75-F77 HydrophobicContact CB-CD2 4.43Å; A75-F77 HydrophobicContact CB-CE2 3.66Å; A75-F77 HydrophobicContact CB-CZ 4.23Å; F77-F79 HydrophobicContact CB-CE2 3.68Å; F77-F79 HydrophobicContact CB-CZ 3.83Å; F77-I84 HydrophobicContact CD1-CD1 4.08Å; F77-Y109 CarbonylContact O-C 3.55Å; F77-Y109 WeakPolarHBondContact O-CA 3.37Å; F77-S110 PolarHBondContact N-O 2.76Å; F77-S110 PolarHBondContact O-N 3.08Å; F77-E112 VanDerWaalsContact CD2-C 3.42Å
78F96Very high93Very high1 Ų170.5 Ų70.50%0.00438%0.38CS..EExtended strand (participates in β ladder)trans-99.5144.9171.5-72.3-10.2000109.5V57 F60 Y61 I64 L76 I84 P85 I107 A108V57-F78 HydrophobicContact CG1-CD2 4.48Å; F60-F78 AromaticContact CD1-CE2 3.62Å; F60-F78 HydrophobicContact CD1-CE2 3.62Å; F60-F78 HydrophobicContact CD1-CZ 4.17Å; F60-F78 HydrophobicContact CE1-CE2 4.21Å; F60-F78 HydrophobicContact CE1-CZ 4.43Å; F60-F78 HydrophobicContact CG-CE2 4.48Å; Y61-F78 HydrophobicContact CD1-CD1 4.08Å; Y61-F78 AromaticContact CD1-CD2 3.98Å; Y61-F78 HydrophobicContact CD1-CD2 3.98Å; Y61-F78 AromaticContact CD1-CE1 3.95Å; Y61-F78 HydrophobicContact CD1-CE1 3.95Å; Y61-F78 AromaticContact CD1-CE2 3.84Å; Y61-F78 HydrophobicContact CD1-CE2 3.84Å; Y61-F78 HydrophobicContact CD1-CG 4.09Å; Y61-F78 AromaticContact CD1-CZ 3.83Å; Y61-F78 HydrophobicContact CD1-CZ 3.83Å; Y61-F78 AromaticContact CD2-CD2 3.65Å; Y61-F78 HydrophobicContact CD2-CD2 3.65Å; Y61-F78 AromaticContact CD2-CE2 3.79Å; Y61-F78 HydrophobicContact CD2-CE2 3.79Å; Y61-F78 HydrophobicContact CD2-CG 4.33Å; Y61-F78 HydrophobicContact CE1-CB 4.08Å; Y61-F78 AromaticContact CE1-CD1 3.67Å; Y61-F78 HydrophobicContact CE1-CD1 3.67Å; Y61-F78 AromaticContact CE1-CD2 3.85Å; Y61-F78 HydrophobicContact CE1-CD2 3.85Å; Y61-F78 HydrophobicContact CE1-CE1 4.02Å; Y61-F78 HydrophobicContact CE1-CE2 4.18Å; Y61-F78 AromaticContact CE1-CG 3.58Å; Y61-F78 HydrophobicContact CE1-CG 3.58Å; Y61-F78 HydrophobicContact CE1-CZ 4.26Å; Y61-F78 HydrophobicContact CE2-CB 4.03Å; Y61-F78 AromaticContact CE2-CD2 3.53Å; Y61-F78 HydrophobicContact CE2-CD2 3.53Å; Y61-F78 HydrophobicContact CE2-CE2 4.15Å; Y61-F78 AromaticContact CE2-CG 3.87Å; Y61-F78 HydrophobicContact CE2-CG 3.87Å; Y61-F78 AromaticContact CG-CD2 3.9Å; Y61-F78 HydrophobicContact CG-CD2 3.9Å; Y61-F78 AromaticContact CG-CE2 3.65Å; Y61-F78 HydrophobicContact CG-CE2 3.65Å; Y61-F78 HydrophobicContact CG-CG 4.46Å; Y61-F78 HydrophobicContact CG-CZ 4.03Å; Y61-F78 AromaticContact CZ-CD2 3.68Å; Y61-F78 AromaticContact CZ-CG 3.51Å; Y61-F78 WeakPolarHBondContact OH-CB 3.21Å; Y61-F78 PolarHBondContact OH-N 3.44Å; I64-F78 HydrophobicContact CB-CE1 4.21Å; I64-F78 HydrophobicContact CB-CZ 3.75Å; I64-F78 HydrophobicContact CG1-CE1 4.4Å; I64-F78 HydrophobicContact CG1-CZ 3.7Å; I64-F78 HydrophobicContact CG2-CE1 3.96Å; I64-F78 HydrophobicContact CG2-CZ 4.02Å; L76-F78 HydrophobicContact CD2-CE1 4.13Å; L76-F78 HydrophobicContact CG-CE1 4.42Å; F78-I84 WeakPolarHBondContact O-CA 3.41Å; F78-P85 HydrophobicContact CB-CG 4.14Å; F78-P85 VanDerWaalsContact O-CD 3.27Å; F78-P85 WeakPolarHBondContact O-CD 3.48Å; F78-I107 HydrophobicContact CB-CG2 3.76Å; F78-I107 HydrophobicContact CD1-CG2 3.98Å; F78-I107 HydrophobicContact CD2-CG2 4.05Å; F78-I107 HydrophobicContact CG-CG2 3.67Å; F78-A108 CarbonylContact C-O 3.53Å; F78-A108 VanDerWaalsContact CA-O 3.25Å; F78-A108 WeakPolarHBondContact CA-O 3.19Å
79F95.1Very high93.2Very high6 Ų670.9 Ų70.93%0.02639%0.386CS..EExtended strand (participates in β ladder)trans-131.2129.4174.9-58.5-87.5000109.6F77 I83 I84 I107 A108 E112 Y115F77-F79 HydrophobicContact CB-CE2 3.68Å; F77-F79 HydrophobicContact CB-CZ 3.83Å; F79-I83 CarbonylContact C-O 3.48Å; F79-I83 WeakPolarHBondContact CA-O 3.15Å; F79-I84 HydrophobicContact CD1-CG1 3.84Å; F79-I84 HydrophobicContact CE1-CD1 3.96Å; F79-I84 HydrophobicContact CE1-CG1 3.48Å; F79-I84 VanDerWaalsContact CE1-CG1 3.48Å; F79-I84 HydrophobicContact CZ-CD1 4.32Å; F79-I84 HydrophobicContact CZ-CG1 4.16Å; F79-I107 WeakPolarHBondContact O-CA 3.42Å; F79-A108 HydrophobicContact CB-CB 4.23Å; F79-A108 PolarHBondContact N-O 2.78Å; F79-A108 PolarHBondContact O-N 3.19Å; F79-E112 WeakPolarHBondContact CZ-O 3.3Å; F79-Y115 HydrophobicContact CB-CD2 4.46Å; F79-Y115 HydrophobicContact CD1-CD2 4.41Å; F79-Y115 HydrophobicContact CD1-CG 4.17Å; F79-Y115 HydrophobicContact CD2-CD2 4Å; F79-Y115 HydrophobicContact CE1-CG 4.5Å; F79-Y115 HydrophobicContact CE2-CD2 4.36Å; F79-Y115 HydrophobicContact CG-CD2 4.02Å; F79-Y115 HydrophobicContact CG-CG 4.2Å
80V95.3Very high93.5Very high2 Ų265.2 Ų65.21%0.01236%0.363CS..BIsolated β-bridgetrans-121.2114.4173.3178.50000106.4D82 I83 P85 L94 H98 L105 I107V80-D82 PolarHBondContact O-N 3.24Å; V80-I83 PolarHBondContact N-O 3.4Å; V80-I83 PolarHBondContact O-N 3.12Å; V80-P85 HydrophobicContact CG2-CG 4.21Å; V80-L94 HydrophobicContact CG2-CD1 4.36Å; V80-L94 HydrophobicContact CG2-CD2 4.08Å; V80-L94 HydrophobicContact CG2-CG 4.44Å; V80-H98 HydrophobicContact CG1-CB 3.39Å; V80-L105 HydrophobicContact CG1-CD1 3.94Å; V80-I107 HydrophobicContact CG2-CG1 3.91Å
81K91Very high93.9Very high122 Ų12264.3 Ų64.353%0.5336%0.358SS..THydrogen-bonded Turntrans48.246.4-172.1-59.1179.5-179.8176.10111.6I83 H98K81-I83 PolarHBondContact O-N 3.08Å; K81-H98 HydrophobicContact CD-CB 4.37Å; K81-H98 WeakPolarHBondContact CE-O 3.35Å
82D87.7Confident94.3Very high86 Ų8660 Ų6046%0.4634%0.337SS..THydrogen-bonded Turntrans66.79.1178-43.9-41000115.3M1 V80 Y115M1-D82 PolarHBondContact N-OD1 3.48Å; V80-D82 PolarHBondContact O-N 3.24Å; D82-Y115 HydrophobicContact CB-CD1 3.79Å; D82-Y115 HydrophobicContact CB-CE1 4.36Å; D82-Y115 WeakPolarHBondContact OD1-CD1 3.4Å; D82-Y115 WeakPolarHBondContact OD1-CE1 3.17Å
83I91.7Very high94.7Very high104 Ų10456.7 Ų56.753%0.53332%0.319SS..BIsolated β-bridgetrans-108.6140.2176-60.4169.6000110.2F79 V80 K81 P85F79-I83 CarbonylContact C-O 3.48Å; F79-I83 WeakPolarHBondContact CA-O 3.15Å; V80-I83 PolarHBondContact N-O 3.4Å; V80-I83 PolarHBondContact O-N 3.12Å; K81-I83 PolarHBondContact O-N 3.08Å; I83-P85 WeakPolarHBondContact O-CD 3.33Å
84I95Very high95.2Very high72 Ų7247.9 Ų47.937%0.36928%0.278SS..PPolyproline II helixtrans-75.8116.6171.7-60.9176.5000109F77 F78 F79F77-I84 HydrophobicContact CD1-CD1 4.08Å; F78-I84 WeakPolarHBondContact O-CA 3.41Å; F79-I84 HydrophobicContact CD1-CG1 3.84Å; F79-I84 HydrophobicContact CE1-CD1 3.96Å; F79-I84 HydrophobicContact CE1-CG1 3.48Å; F79-I84 VanDerWaalsContact CE1-CG1 3.48Å; F79-I84 HydrophobicContact CZ-CD1 4.32Å; F79-I84 HydrophobicContact CZ-CG1 4.16Å
85P96.4Very high95.5Very high5 Ų544.8 Ų44.83%0.03226%0.263CS..PPolyproline II helixtrans-70.3144.7-179.329.3-34.2000111.3V57 F78 V80 I83 T87 L94V57-P85 HydrophobicContact CG1-CB 4.24Å; V57-P85 HydrophobicContact CG1-CG 3.87Å; V57-P85 HydrophobicContact CG2-CB 4.43Å; F78-P85 HydrophobicContact CB-CG 4.14Å; F78-P85 VanDerWaalsContact O-CD 3.27Å; F78-P85 WeakPolarHBondContact O-CD 3.48Å; V80-P85 HydrophobicContact CG2-CG 4.21Å; I83-P85 WeakPolarHBondContact O-CD 3.33Å; P85-T87 PolarHBondContact O-N 3.33Å; P85-L94 HydrophobicContact CB-CD1 3.58Å; P85-L94 HydrophobicContact CB-CD2 4.02Å; P85-L94 HydrophobicContact CB-CG 4.48Å; P85-L94 HydrophobicContact CG-CD2 4.39Å
86P96.6Very high95.8Very high80 Ų8050 Ų5052%0.51928%0.28SS..PPolyproline II helixtrans-64.2131.1176.812.9-14.2000111S88 A89P86-S88 PolarHBondContact O-N 3.44Å; P86-A89 HydrophobicContact CB-CB 4.45Å; P86-A89 HydrophobicContact CG-CB 4.02Å; P86-A89 WeakPolarHBondContact O-CB 3.5Å; P86-A89 PolarHBondContact O-N 2.96Å; P86-A89 VanDerWaalsContact O-N 3.08Å
87T96.1Very high95.9Very high87 Ų8755.6 Ų55.653%0.53431%0.305SS..THydrogen-bonded Turntrans-65.1-25.4-175.650.80000113.8G58 Y61 P85G58-T87 PolarHBondContact N-O 3.38Å; Y61-T87 HydrophobicContact CD2-CG2 4.43Å; Y61-T87 HydrophobicContact CE2-CG2 4.3Å; P85-T87 PolarHBondContact O-N 3.33Å
88S97.3Very high96Very high102 Ų10254.3 Ų54.371%0.71330%0.3SS*.THydrogen-bonded Turntrans-78.8-17.3176550000113.8P86P86-S88 PolarHBondContact O-N 3.44Å
89A98Very high96.1Very high25 Ų2557.4 Ų57.421%0.20732%0.315CS..SBendtrans-67.7151.1177.800000110.9T56 V57 P86T56-A89 CarbonylContact C-O 3.56Å; T56-A89 VanDerWaalsContact CA-O 3.27Å; T56-A89 WeakPolarHBondContact CA-O 3.15Å; V57-A89 HydrophobicContact CG2-CB 4.34Å; V57-A89 WeakPolarHBondContact CG2-O 3.36Å; V57-A89 PolarHBondContact N-O 3.45Å; P86-A89 HydrophobicContact CB-CB 4.45Å; P86-A89 HydrophobicContact CG-CB 4.02Å; P86-A89 WeakPolarHBondContact O-CB 3.5Å; P86-A89 PolarHBondContact O-N 2.96Å; P86-A89 VanDerWaalsContact O-N 3.08Å
90T98.4Very high96.2Very high49 Ų4959.3 Ų59.330%0.30133%0.325SS..BIsolated β-bridgetrans-84.3152172.167.70000110.8S53 L55 G92 A93 L94S53-T90 WeakPolarHBondContact O-CB 3.37Å; S53-T90 PolarHBondContact O-OG1 3.09Å; L55-T90 CarbonylContact O-C 3.51Å; L55-T90 WeakPolarHBondContact O-CA 3.44Å; T90-G92 PolarHBondContact O-N 3.04Å; T90-A93 PolarHBondContact O-N 2.85Å; T90-A93 WeakPolarHBondContact OG1-CB 3.27Å; T90-A93 PolarHBondContact OG1-N 3.27Å; T90-L94 WeakPolarHBondContact O-CB 3.48Å; T90-L94 PolarHBondContact O-N 3.05Å
91M98.5Very high96.3Very high0 Ų068.7 Ų68.70%036%0.36CS..Hα-helixtrans-61.5-29.9176-67.3-62.8-62.500111.6V29 V31 V51 L55 V57 F60 L94 Y95 L105 I107V29-M91 HydrophobicContact CG2-CB 3.93Å; V31-M91 HydrophobicContact CG1-CE 4.36Å; V31-M91 HydrophobicContact CG2-CE 3.85Å; V51-M91 HydrophobicContact CG1-CB 4.25Å; V51-M91 HydrophobicContact CG1-CG 3.91Å; L55-M91 HydrophobicContact CB-CG 4.34Å; L55-M91 WeakPolarHBondContact O-CG 3.48Å; L55-M91 PolarHBondContact O-N 3.36Å; V57-M91 HydrophobicContact CG2-SD 3.95Å; F60-M91 HydrophobicContact CB-CG 4.34Å; F60-M91 HydrophobicContact CB-SD 3.89Å; F60-M91 HydrophobicContact CD1-CE 3.73Å; F60-M91 HydrophobicContact CD1-SD 3.94Å; F60-M91 HydrophobicContact CE1-CE 4.03Å; F60-M91 HydrophobicContact CG-CE 4.1Å; F60-M91 HydrophobicContact CG-SD 4.01Å; M91-L94 HydrophobicContact SD-CD2 4.33Å; M91-Y95 WeakPolarHBondContact O-CB 3.33Å; M91-Y95 PolarHBondContact O-N 3.16Å; M91-L105 HydrophobicContact CE-CD2 4.02Å; M91-I107 HydrophobicContact CE-CD1 3.85Å
92G98.2Very high96.7Very high8 Ų862.9 Ų62.98%0.08234%0.335CS..Hα-helixtrans-66.4-45.8172.600000113.4S53 T90 Y95 Q96S53-G92 WeakPolarHBondContact O-CA 3.43Å; S53-G92 PolarHBondContact O-N 3.47Å; T90-G92 PolarHBondContact O-N 3.04Å; G92-Y95 PolarHBondContact O-N 3.17Å; G92-Q96 WeakPolarHBondContact O-CG 3.36Å; G92-Q96 PolarHBondContact O-N 2.79Å
93A97.9Very high97.1Very high45 Ų4560.9 Ų60.937%0.37232%0.324SS..Hα-helixtrans-63.1-47175.700000110.8T90 Y95 Q96 E97T90-A93 PolarHBondContact O-N 2.85Å; T90-A93 WeakPolarHBondContact OG1-CB 3.27Å; T90-A93 PolarHBondContact OG1-N 3.27Å; A93-Y95 VanDerWaalsContact C-N 3.29Å; A93-Y95 PolarHBondContact O-N 3.38Å; A93-Q96 PolarHBondContact O-N 2.95Å; A93-Q96 VanDerWaalsContact O-N 3.14Å; A93-E97 PolarHBondContact O-N 2.78Å; A93-E97 VanDerWaalsContact O-N 3.13Å
94L97.8Very high97.5Very high6 Ų655.9 Ų55.93%0.03130%0.299CS..Hα-helixtrans-59.2-40.1177.1-170.970.1000112.2V57 V80 P85 T90 M91 H98 L105 I107V57-L94 HydrophobicContact CG2-CD2 3.78Å; V80-L94 HydrophobicContact CG2-CD1 4.36Å; V80-L94 HydrophobicContact CG2-CD2 4.08Å; V80-L94 HydrophobicContact CG2-CG 4.44Å; P85-L94 HydrophobicContact CB-CD1 3.58Å; P85-L94 HydrophobicContact CB-CD2 4.02Å; P85-L94 HydrophobicContact CB-CG 4.48Å; P85-L94 HydrophobicContact CG-CD2 4.39Å; T90-L94 WeakPolarHBondContact O-CB 3.48Å; T90-L94 PolarHBondContact O-N 3.05Å; M91-L94 HydrophobicContact SD-CD2 4.33Å; L94-H98 WeakPolarHBondContact O-CB 3.27Å; L94-H98 PolarHBondContact O-N 3.01Å; L94-L105 HydrophobicContact CB-CD2 4.44Å; L94-L105 HydrophobicContact CD2-CD2 3.86Å; L94-L105 HydrophobicContact CG-CD1 4.42Å; L94-L105 HydrophobicContact CG-CD2 4.03Å; L94-I107 HydrophobicContact CD2-CD1 4.48Å
95Y98.3Very high97.6Very high15 Ų1552.5 Ų52.56%0.05928%0.281CS..Hα-helixtrans-63.8-47.4174.1176.7-82.4000111.7V29 P30 M91 G92 A93 E97 H98 H99 L103 L105V29-Y95 HydrophobicContact CB-CD2 3.72Å; V29-Y95 HydrophobicContact CB-CE2 4.45Å; V29-Y95 HydrophobicContact CB-CG 3.95Å; V29-Y95 HydrophobicContact CG1-CD1 4.09Å; V29-Y95 HydrophobicContact CG1-CD2 3.86Å; V29-Y95 HydrophobicContact CG1-CG 3.56Å; P30-Y95 HydrophobicContact CG-CE2 4.19Å; M91-Y95 WeakPolarHBondContact O-CB 3.33Å; M91-Y95 PolarHBondContact O-N 3.16Å; G92-Y95 PolarHBondContact O-N 3.17Å; A93-Y95 VanDerWaalsContact C-N 3.29Å; A93-Y95 PolarHBondContact O-N 3.38Å; Y95-E97 PolarHBondContact O-N 3.47Å; Y95-H98 PolarHBondContact O-N 3.37Å; Y95-H99 HydrophobicContact CD1-CB 4.19Å; Y95-H99 HydrophobicContact CD2-CB 3.8Å; Y95-H99 HydrophobicContact CE1-CB 4.01Å; Y95-H99 AromaticContact CE1-CG 3.89Å; Y95-H99 HydrophobicContact CE2-CB 3.62Å; Y95-H99 HydrophobicContact CG-CB 4.07Å; Y95-H99 AromaticContact CZ-CG 3.89Å; Y95-H99 WeakPolarHBondContact O-CB 3.44Å; Y95-H99 PolarHBondContact O-N 3.24Å; Y95-H99 PolarHBondContact O-ND1 3.19Å; Y95-L103 WeakPolarHBondContact CE2-O 3.47Å; Y95-L103 PolarHBondContact OH-O 3.48Å; Y95-L103 VanDerWaalsContact OH-O 3.08Å; Y95-L105 HydrophobicContact CD2-CB 3.92Å
96Q97.3Very high97.7Very high154 Ų15452.8 Ų52.872%0.7228%0.282SS*.Hα-helixtrans-57.9-40.7-179.3-75176.69.800111.9G92 A93 H99G92-Q96 WeakPolarHBondContact O-CG 3.36Å; G92-Q96 PolarHBondContact O-N 2.79Å; A93-Q96 PolarHBondContact O-N 2.95Å; A93-Q96 VanDerWaalsContact O-N 3.14Å; Q96-H99 PolarHBondContact O-ND1 2.83Å
97E97Very high97.7Very high140 Ų14049 Ų4965%0.65426%0.257SS*.Hα-helixtrans-77.1-37.1-178.3-164.9178.816400113.2A93 Y95A93-E97 PolarHBondContact O-N 2.78Å; A93-E97 VanDerWaalsContact O-N 3.13Å; Y95-E97 PolarHBondContact O-N 3.47Å
98H97.3Very high97.7Very high31 Ų3144.9 Ų44.914%0.14423%0.232CC..Hα-helixtrans-128.73.8-166-55.1-59.5000116.9V80 K81 L94 Y95 L105V80-H98 HydrophobicContact CG1-CB 3.39Å; K81-H98 HydrophobicContact CD-CB 4.37Å; K81-H98 WeakPolarHBondContact CE-O 3.35Å; L94-H98 WeakPolarHBondContact O-CB 3.27Å; L94-H98 PolarHBondContact O-N 3.01Å; Y95-H98 PolarHBondContact O-N 3.37Å; H98-L105 HydrophobicContact CB-CD1 4.1Å
99H97.3Very high97.6Very high66 Ų6640.2 Ų40.231%0.30620%0.199SC..  trans-54149.1170.772.3-74.6000111Y95 Q96 F104Y95-H99 HydrophobicContact CD1-CB 4.19Å; Y95-H99 HydrophobicContact CD2-CB 3.8Å; Y95-H99 HydrophobicContact CE1-CB 4.01Å; Y95-H99 AromaticContact CE1-CG 3.89Å; Y95-H99 HydrophobicContact CE2-CB 3.62Å; Y95-H99 HydrophobicContact CG-CB 4.07Å; Y95-H99 AromaticContact CZ-CG 3.89Å; Y95-H99 WeakPolarHBondContact O-CB 3.44Å; Y95-H99 PolarHBondContact O-N 3.24Å; Y95-H99 PolarHBondContact O-ND1 3.19Å; Q96-H99 PolarHBondContact O-ND1 2.83Å; H99-F104 WeakPolarHBondContact CA-O 3.45Å
100D97.5Very high97.4Very high46 Ų4639.2 Ų39.225%0.24619%0.19CC..  trans-86.6171176.9-151-61.7000110.4K6 D102 L103 F104 Y106K6-D100 IonicContact NZ-OD2 2.6Å; K6-D100 PolarHBondContact NZ-OD2 3.45Å; D100-D102 PolarHBondContact O-N 3.47Å; D100-D102 VanDerWaalsContact O-N 3.08Å; D100-L103 PolarHBondContact O-N 2.93Å; D100-F104 PolarHBondContact N-O 3.15Å; D100-Y106 HydrophobicContact CB-CD2 3.75Å; D100-Y106 HydrophobicContact CB-CE2 3.69Å
101R97.2Very high97.2Very high199 Ų19938.4 Ų38.475%0.75118%0.184SC*.THydrogen-bonded Turntrans-63.2-16.8-176.5-65.4-179.364.4-171.6-1.1113.6F11 L103F11-R101 HydrophobicContact CE2-CB 3.88Å; F11-R101 HydrophobicContact CZ-CB 4.04Å; R101-L103 VanDerWaalsContact C-N 3.3Å
102D98.1Very high96.7Very high0 Ų042 Ų420%020%0.201CC..THydrogen-bonded Turntrans-88.75.4175.569.8-8.3000113.5F11 R14 D100 F104 Y106F11-D102 HydrophobicContact CD2-CB 4.23Å; F11-D102 HydrophobicContact CE2-CB 3.91Å; R14-D102 HydrophobicContact CB-CB 3.79Å; R14-D102 IonicContact CZ-OD2 2.79Å; R14-D102 IonicContact NH1-OD2 3.68Å; R14-D102 PolarHBondContact NH1-OD2 2.99Å; D100-D102 PolarHBondContact O-N 3.47Å; D100-D102 VanDerWaalsContact O-N 3.08Å; D102-F104 VanDerWaalsContact C-N 3.34Å; D102-F104 PolarHBondContact OD1-N 3.17Å; D102-Y106 WeakPolarHBondContact OD1-CE2 3.46Å; D102-Y106 PolarHBondContact OD2-OH 3.38Å
103L98.2Very high96.1Very high44 Ų4444.6 Ų44.623%0.2322%0.218CC..SBendtrans6923.6-179.1-48.2177.3000114.9L15 Q19 P30 Y95 D100 R101L15-L103 HydrophobicContact CD1-CD1 4.26Å; L15-L103 HydrophobicContact CD1-CG 4.12Å; Q19-L103 HydrophobicContact CB-CD1 4.3Å; Q19-L103 HydrophobicContact CG-CD1 3.53Å; P30-L103 WeakPolarHBondContact CG-O 3.35Å; Y95-L103 WeakPolarHBondContact CE2-O 3.47Å; Y95-L103 PolarHBondContact OH-O 3.48Å; Y95-L103 VanDerWaalsContact OH-O 3.08Å; D100-L103 PolarHBondContact O-N 2.93Å; R101-L103 VanDerWaalsContact C-N 3.3Å
104F98.4Very high95.1Very high0 Ų047.6 Ų47.60%023%0.226CC..  trans-106.7146.3166.7-75.3-95.9000111.6R14 E17 P30 I32 K48 H99 D100 D102 Y106R14-F104 WeakPolarHBondContact O-CE2 3.49Å; E17-F104 HydrophobicContact CB-CE2 4.41Å; E17-F104 HydrophobicContact CB-CZ 4.45Å; E17-F104 HydrophobicContact CG-CZ 4.13Å; P30-F104 HydrophobicContact CB-CD1 3.69Å; P30-F104 HydrophobicContact CB-CE1 3.68Å; P30-F104 HydrophobicContact CB-CG 4.45Å; P30-F104 HydrophobicContact CB-CZ 4.41Å; P30-F104 HydrophobicContact CG-CD1 4.27Å; I32-F104 HydrophobicContact CD1-CD1 3.75Å; I32-F104 HydrophobicContact CD1-CE1 3.94Å; I32-F104 HydrophobicContact CG1-CB 4.22Å; I32-F104 HydrophobicContact CG1-CD1 3.68Å; I32-F104 HydrophobicContact CG1-CE1 4.36Å; I32-F104 HydrophobicContact CG1-CG 4.16Å; K48-F104 HydrophobicContact CD-CE1 3.93Å; K48-F104 HydrophobicContact CD-CZ 4.37Å; K48-F104 HydrophobicContact CG-CE1 4.31Å; H99-F104 WeakPolarHBondContact CA-O 3.45Å; D100-F104 PolarHBondContact N-O 3.15Å; D102-F104 VanDerWaalsContact C-N 3.34Å; D102-F104 PolarHBondContact OD1-N 3.17Å; F104-Y106 HydrophobicContact CB-CD2 4.24Å; F104-Y106 HydrophobicContact CB-CE2 3.63Å
105L98.2Very high93.4Very high0 Ų050.4 Ų50.40%024%0.237CC..EExtended strand (participates in β ladder)trans-89.1129.6163.3176.866.1000109.3P30 V31 I32 V80 M91 L94 Y95 H98 I107P30-L105 PolarHBondContact O-N 3.14Å; V31-L105 CarbonylContact C-O 3.47Å; V31-L105 VanDerWaalsContact CA-O 3.31Å; V31-L105 WeakPolarHBondContact CA-O 3.35Å; V31-L105 HydrophobicContact CG1-CD2 4.47Å; V31-L105 HydrophobicContact CG1-CG 4.5Å; V31-L105 HydrophobicContact CG2-CB 4.37Å; V31-L105 HydrophobicContact CG2-CD2 4.34Å; I32-L105 PolarHBondContact N-O 3.45Å; V80-L105 HydrophobicContact CG1-CD1 3.94Å; M91-L105 HydrophobicContact CE-CD2 4.02Å; L94-L105 HydrophobicContact CB-CD2 4.44Å; L94-L105 HydrophobicContact CD2-CD2 3.86Å; L94-L105 HydrophobicContact CG-CD1 4.42Å; L94-L105 HydrophobicContact CG-CD2 4.03Å; Y95-L105 HydrophobicContact CD2-CB 3.92Å; H98-L105 HydrophobicContact CB-CD1 4.1Å; L105-I107 HydrophobicContact CD2-CD1 4.09Å; L105-I107 HydrophobicContact CD2-CG1 4.33Å; L105-I107 HydrophobicContact CG-CD1 4.47Å; L105-I107 HydrophobicContact CG-CG1 4.17Å
106Y98.1Very high91.3Very high11 Ų1152.2 Ų52.24%0.04326%0.26CS..EExtended strand (participates in β ladder)trans-107.3121.3-179.2-72.7-92.3000110.6F3 Y5 K6 R14 I32 D100 D102 F104F3-Y106 HydrophobicContact CB-CD1 4.04Å; F3-Y106 HydrophobicContact CB-CE1 4.22Å; F3-Y106 AromaticContact CD1-CD1 3.66Å; F3-Y106 HydrophobicContact CD1-CD1 3.66Å; F3-Y106 AromaticContact CD2-CD1 3.93Å; F3-Y106 HydrophobicContact CD2-CD1 3.93Å; F3-Y106 HydrophobicContact CD2-CG 4.36Å; F3-Y106 HydrophobicContact CE1-CD1 4.06Å; F3-Y106 HydrophobicContact CE2-CD1 4.31Å; F3-Y106 HydrophobicContact CE2-CG 4.39Å; F3-Y106 AromaticContact CG-CD1 3.6Å; F3-Y106 HydrophobicContact CG-CD1 3.6Å; F3-Y106 HydrophobicContact CG-CE1 4.28Å; F3-Y106 HydrophobicContact CG-CG 4.43Å; F3-Y106 HydrophobicContact CZ-CD1 4.38Å; F3-Y106 HydrophobicContact CZ-CG 4.49Å; Y5-Y106 HydrophobicContact CD1-CE1 4.08Å; Y5-Y106 WeakPolarHBondContact CD1-OH 3.47Å; K6-Y106 HydrophobicContact CD-CE1 4.18Å; K6-Y106 VanDerWaalsContact CE-CE2 3.4Å; K6-Y106 HydrophobicContact CG-CE1 3.75Å; R14-Y106 PolarHBondContact NH1-OH 3.5Å; I32-Y106 HydrophobicContact CB-CD1 3.78Å; I32-Y106 HydrophobicContact CB-CE1 3.87Å; I32-Y106 HydrophobicContact CB-CG 4.5Å; I32-Y106 HydrophobicContact CG1-CD1 4.28Å; I32-Y106 HydrophobicContact CG1-CE1 3.89Å; I32-Y106 HydrophobicContact CG2-CD1 3.99Å; I32-Y106 HydrophobicContact CG2-CE1 4.02Å; D100-Y106 HydrophobicContact CB-CD2 3.75Å; D100-Y106 HydrophobicContact CB-CE2 3.69Å; D102-Y106 WeakPolarHBondContact OD1-CE2 3.46Å; D102-Y106 PolarHBondContact OD2-OH 3.38Å; F104-Y106 HydrophobicContact CB-CD2 4.24Å; F104-Y106 HydrophobicContact CB-CE2 3.63Å
107I97Very high88.7Confident1 Ų149.2 Ų49.21%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-121.8122.9-179.9-56.5-173.6000108.6V31 I32 V33 E34 F60 F78 F79 V80 M91 L94 L105V31-I107 HydrophobicContact CG1-CD1 3.67Å; V31-I107 HydrophobicContact CG1-CG1 3.87Å; I32-I107 PolarHBondContact O-N 2.92Å; V33-I107 VanDerWaalsContact CA-O 3.27Å; V33-I107 WeakPolarHBondContact CA-O 3.38Å; V33-I107 HydrophobicContact CG2-CB 4.39Å; E34-I107 PolarHBondContact N-O 3.2Å; F60-I107 HydrophobicContact CD1-CD1 4.28Å; F60-I107 HydrophobicContact CE1-CD1 4Å; F78-I107 HydrophobicContact CB-CG2 3.76Å; F78-I107 HydrophobicContact CD1-CG2 3.98Å; F78-I107 HydrophobicContact CD2-CG2 4.05Å; F78-I107 HydrophobicContact CG-CG2 3.67Å; F79-I107 WeakPolarHBondContact O-CA 3.42Å; V80-I107 HydrophobicContact CG2-CG1 3.91Å; M91-I107 HydrophobicContact CE-CD1 3.85Å; L94-I107 HydrophobicContact CD2-CD1 4.48Å; L105-I107 HydrophobicContact CD2-CD1 4.09Å; L105-I107 HydrophobicContact CD2-CG1 4.33Å; L105-I107 HydrophobicContact CG-CD1 4.47Å; L105-I107 HydrophobicContact CG-CG1 4.17Å
108A95.7Very high86.1Confident1 Ų148.3 Ų48.31%0.00826%0.26CS..EExtended strand (participates in β ladder)trans-92.7146167.700000110M1 F3 E34 F78 F79M1-A108 HydrophobicContact CE-CB 3.4Å; M1-A108 HydrophobicContact CG-CB 4.29Å; M1-A108 HydrophobicContact SD-CB 3.2Å; M1-A108 WeakPolarHBondContact SD-CB 3.38Å; F3-A108 HydrophobicContact CZ-CB 4.11Å; E34-A108 CarbonylContact O-C 3.53Å; E34-A108 VanDerWaalsContact O-CA 3.26Å; E34-A108 WeakPolarHBondContact O-CA 3.42Å; F78-A108 CarbonylContact C-O 3.53Å; F78-A108 VanDerWaalsContact CA-O 3.25Å; F78-A108 WeakPolarHBondContact CA-O 3.19Å; F79-A108 HydrophobicContact CB-CB 4.23Å; F79-A108 PolarHBondContact N-O 2.78Å; F79-A108 PolarHBondContact O-N 3.19Å
109Y95.5Very high83.5Confident3 Ų353.9 Ų53.91%0.01229%0.286CS..EExtended strand (participates in β ladder)trans-122.8146172.673.7-90.9000113.6V33 E34 K35 S36 V41 G42 N43 L44 I68 L76 F77V33-Y109 HydrophobicContact CG1-CD1 3.77Å; V33-Y109 HydrophobicContact CG1-CE1 4.32Å; E34-Y109 VanDerWaalsContact C-CE1 3.41Å; E34-Y109 WeakPolarHBondContact O-CD1 3.36Å; E34-Y109 PolarHBondContact O-N 2.75Å; K35-Y109 HydrophobicContact CB-CD1 4.42Å; K35-Y109 HydrophobicContact CB-CE1 3.71Å; K35-Y109 HydrophobicContact CB-CE2 3.96Å; K35-Y109 VanDerWaalsContact CB-CZ 3.45Å; K35-Y109 HydrophobicContact CD-CE2 4.05Å; K35-Y109 HydrophobicContact CG-CD2 4.22Å; K35-Y109 HydrophobicContact CG-CE1 4.3Å; K35-Y109 HydrophobicContact CG-CE2 3.63Å; S36-Y109 WeakPolarHBondContact CB-O 2.98Å; S36-Y109 PolarHBondContact N-O 2.81Å; V41-Y109 HydrophobicContact CG2-CD2 3.69Å; V41-Y109 HydrophobicContact CG2-CE2 3.4Å; V41-Y109 VanDerWaalsContact CG2-CE2 3.4Å; G42-Y109 PolarHBondContact O-OH 2.77Å; N43-Y109 WeakPolarHBondContact CA-OH 3.18Å; L44-Y109 HydrophobicContact CD1-CD1 4.29Å; L44-Y109 HydrophobicContact CD1-CE1 3.68Å; L44-Y109 HydrophobicContact CG-CE1 4.04Å; L44-Y109 PolarHBondContact N-OH 2.7Å; I68-Y109 HydrophobicContact CD1-CD2 3.86Å; I68-Y109 HydrophobicContact CD1-CE1 4.49Å; I68-Y109 HydrophobicContact CD1-CE2 3.42Å; I68-Y109 VanDerWaalsContact CD1-CE2 3.42Å; I68-Y109 HydrophobicContact CG1-CE2 4.5Å; L76-Y109 HydrophobicContact CD1-CD2 3.6Å; L76-Y109 HydrophobicContact CD1-CE2 4.5Å; L76-Y109 HydrophobicContact CD1-CG 4.21Å; F77-Y109 CarbonylContact O-C 3.55Å; F77-Y109 WeakPolarHBondContact O-CA 3.37Å
110S94.4Very high80.6Confident4 Ų458.7 Ų58.73%0.02831%0.314CS..EExtended strand (participates in β ladder)trans-149.1156.2-177.5-163.20000112.6L76 F77 E112L76-S110 CarbonylContact C-O 3.42Å; L76-S110 WeakPolarHBondContact CA-O 3.45Å; F77-S110 PolarHBondContact N-O 2.76Å; F77-S110 PolarHBondContact O-N 3.08Å; S110-E112 VanDerWaalsContact C-N 3.27Å; S110-E112 PolarHBondContact OG-N 3.49Å
111D92.3Very high77.7Confident32 Ų3262.6 Ų62.617%0.17134%0.343CS..SBendtrans-75.5-14.5164.444.5-46.1000113.2A39 R40 V41A39-D111 WeakPolarHBondContact CA-OD1 3.16Å; A39-D111 WeakPolarHBondContact CB-OD1 3.04Å; R40-D111 IonicContact CZ-OD2 3.01Å; R40-D111 PolarHBondContact N-OD1 3.04Å; R40-D111 IonicContact NE-OD2 3.55Å; R40-D111 PolarHBondContact NE-OD2 2.82Å; R40-D111 IonicContact NH2-OD2 2.95Å; R40-D111 PolarHBondContact NH2-OD2 3.15Å; V41-D111 HydrophobicContact CG1-CB 3.63Å
112E89.6Confident74.7Confident76 Ų7659 Ų5936%0.35534%0.344SS..SBendtrans-105.5137.2-178.2-63.4179.3-179.800111.1R40 F77 F79 S110 I114R40-E112 IonicContact CZ-OE1 2.6Å; R40-E112 IonicContact NH1-OE1 3.54Å; R40-E112 PolarHBondContact NH1-OE1 2.99Å; R40-E112 IonicContact NH2-OE1 2.79Å; R40-E112 PolarHBondContact NH2-OE1 2.82Å; F77-E112 VanDerWaalsContact CD2-C 3.42Å; F79-E112 WeakPolarHBondContact CZ-O 3.3Å; S110-E112 VanDerWaalsContact C-N 3.27Å; S110-E112 PolarHBondContact OG-N 3.49Å; E112-I114 VanDerWaalsContact C-N 3.31Å
113S84.5Confident71.7Confident62 Ų6264.4 Ų64.443%0.43438%0.381SS..SBendtrans-80-10.9-179.657.50000113.9
114I76.4Confident68.8Low108 Ų10872.1 Ų72.155%0.55444%0.439SS*.  trans-103.5113.3179.7-57179000108.6E112 G116 S117E112-I114 VanDerWaalsContact C-N 3.31Å; I114-G116 PolarHBondContact O-N 2.69Å; I114-S117 WeakPolarHBondContact CG2-OG 3.28Å
115Y63.7Low67.3Low66 Ų6675.7 Ų75.726%0.25946%0.461SS..SBendtrans-92.680170.9-162.9-89.7000109.5M1 F79 D82M1-Y115 WeakPolarHBondContact CA-OH 3.29Å; M1-Y115 HydrophobicContact CB-CE1 4.34Å; M1-Y115 WeakPolarHBondContact CB-OH 3.32Å; M1-Y115 VanDerWaalsContact CG-OH 3.26Å; M1-Y115 WeakPolarHBondContact CG-OH 3.45Å; M1-Y115 HydrophobicContact SD-CE2 3.68Å; M1-Y115 PolarHBondContact SD-OH 2.79Å; F79-Y115 HydrophobicContact CB-CD2 4.46Å; F79-Y115 HydrophobicContact CD1-CD2 4.41Å; F79-Y115 HydrophobicContact CD1-CG 4.17Å; F79-Y115 HydrophobicContact CD2-CD2 4Å; F79-Y115 HydrophobicContact CE1-CG 4.5Å; F79-Y115 HydrophobicContact CE2-CD2 4.36Å; F79-Y115 HydrophobicContact CG-CD2 4.02Å; F79-Y115 HydrophobicContact CG-CG 4.2Å; D82-Y115 HydrophobicContact CB-CD1 3.79Å; D82-Y115 HydrophobicContact CB-CE1 4.36Å; D82-Y115 WeakPolarHBondContact OD1-CD1 3.4Å; D82-Y115 WeakPolarHBondContact OD1-CE1 3.17Å
116G54.4Low65.7Low52 Ų5279.7 Ų79.754%0.53649%0.485SS..  trans100.7107.8170.800000116.1I114I114-G116 PolarHBondContact O-N 2.69Å
117S42.1Very low63.9Low91 Ų9183.5 Ų83.564%0.63651%0.509SS*.  trans-166.460157.446.70000112.3I114I114-S117 WeakPolarHBondContact CG2-OG 3.28Å
118V42.3Very low62Low122 Ų12288.4 Ų88.474%0.73954%0.539SS*.SBendtrans-140.97166.8-154.50000114.6
119E41.5Very low59.9Low148 Ų14893.8 Ų93.869%0.69257%0.572SS**SBendtrans-118.2-0-179.4-78.4179.4132.900116.4R38R38-E119 IonicContact NH2-OE2 3.37Å; R38-E119 PolarHBondContact NH2-OE2 2.88Å
120D38.4Very low57.5Low167 Ų16799.9 Ų99.989%0.89361%0.61SS**SBendtrans-105.713.8177.7-72.1-52.4000115
121C34.6Very low54.8Low127 Ų127106.7 Ų106.786%0.85865%0.651SS**SBendtrans-109.813.3177.7-73.50000114.9
122T34.8Very low52Low125 Ų125112.5 Ų112.577%0.76769%0.688SS**SBendtrans-132.355.7173550000111.4
123S35.5Very low48.8Very low113 Ų113115.5 Ų115.579%0.7972%0.716SS**  trans-157.170.2166.5-73.40000110.1
124S37.8Very low45.6Very low205 Ų205120.4 Ų120.4100%1.43474%0.742SS**  trans-171.20150.6-75.80000109.4

Retrieved 124 of 124 residues in 301 ms (Link to these results)

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