A0A060WG03_ONCMY Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A060WG03, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 227 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
1M46.8Very low81.8Confident235 Ų23594.5 Ų94.5100%1.15848%0.476SS*.  0114.10-79.6175.3-88.300105.4D3M1-D3 PolarHBondContact O-N 3.29Å
2S54.7Low82.2Confident116 Ų11688.2 Ų88.281%0.81145%0.453SS*.  trans-59.9134.1173.947.80000108.6F4S2-F4 PolarHBondContact O-N 3.23Å; S2-F4 VanDerWaalsContact O-N 3.13Å
3D71.6Confident82.1Confident162 Ų16289.8 Ų89.887%0.86645%0.45SS*.  trans-57.8118.5176-67.8-31.4000109.1M1 K5M1-D3 PolarHBondContact O-N 3.29Å; D3-K5 PolarHBondContact O-N 2.98Å
4F75.9Confident82Confident130 Ų13083.9 Ų83.957%0.5742%0.42SS*.  trans-81.5110.2178.2-179.6-105.5000108.5S2 L6 L124S2-F4 PolarHBondContact O-N 3.23Å; S2-F4 VanDerWaalsContact O-N 3.13Å; F4-L6 HydrophobicContact CD1-CD2 4.18Å; F4-L6 HydrophobicContact CE1-CD2 3.59Å; F4-L6 HydrophobicContact CZ-CD2 4.47Å; F4-L124 HydrophobicContact CE1-CD1 4.22Å; F4-L124 HydrophobicContact CZ-CD1 4.3Å
5K89.2Confident81.4Confident120 Ų12080.5 Ų80.552%0.52241%0.411SS..  trans-111.1137.3-179.2-175.3165.6161.6-147.20110.7D3 E25D3-K5 PolarHBondContact O-N 2.98Å; K5-E25 HydrophobicContact CD-CG 4.44Å; K5-E25 VanDerWaalsContact CD-OE1 3.24Å; K5-E25 WeakPolarHBondContact CD-OE1 3.36Å; K5-E25 VanDerWaalsContact CE-OE1 3.29Å; K5-E25 WeakPolarHBondContact CE-OE1 3.4Å; K5-E25 HydrophobicContact CG-CB 4.47Å; K5-E25 HydrophobicContact CG-CG 4.37Å; K5-E25 IonicContact NZ-OE1 2.73Å; K5-E25 PolarHBondContact NZ-OE1 3.34Å
6L93.1Very high80.8Confident42 Ų4277 Ų7722%0.2240%0.401CS..EExtended strand (participates in β ladder)trans-142.2156.8-179.967.587.2000109.7F4 I8 L22F4-L6 HydrophobicContact CD1-CD2 4.18Å; F4-L6 HydrophobicContact CE1-CD2 3.59Å; F4-L6 HydrophobicContact CZ-CD2 4.47Å; L6-I8 HydrophobicContact CD1-CD1 4.41Å; L6-I8 HydrophobicContact CD1-CG1 3.63Å; L6-L22 HydrophobicContact CD1-CD1 4.41Å; L6-L22 HydrophobicContact CD1-CD2 3.84Å; L6-L22 HydrophobicContact CD2-CD1 4.46Å
7G95Very high80.7Confident8 Ų874.3 Ų74.38%0.08239%0.385CS..EExtended strand (participates in β ladder)trans-91.5135.2172.200000111.6L22 I23G7-L22 WeakPolarHBondContact O-CA 3.32Å; G7-I23 PolarHBondContact N-O 3.21Å; G7-I23 PolarHBondContact O-N 3.13Å
8I95.4Very high81Confident73 Ų7371.1 Ų71.137%0.37437%0.369SS..EExtended strand (participates in β ladder)trans-110.3110166.4-52.4179.5000107.2L6 Y20 L22 A128 I129 V132L6-I8 HydrophobicContact CD1-CD1 4.41Å; L6-I8 HydrophobicContact CD1-CG1 3.63Å; I8-Y20 HydrophobicContact CG2-CD1 3.87Å; I8-Y20 HydrophobicContact CG2-CG 4.15Å; I8-L22 HydrophobicContact CB-CD2 4.47Å; I8-L22 HydrophobicContact CG1-CD2 3.84Å; I8-L22 HydrophobicContact CG2-CD2 4.45Å; I8-A128 HydrophobicContact CD1-CB 3.95Å; I8-I129 HydrophobicContact CG2-CD1 4.43Å; I8-V132 HydrophobicContact CD1-CG2 3.89Å; I8-V132 HydrophobicContact CG2-CG2 4.07Å
9V95.1Very high81.5Confident21 Ų2167.9 Ų67.913%0.12735%0.353CS..EExtended strand (participates in β ladder)trans-108.7130-177.1-1780000109.8Y20 T21 I23 V31 F36V9-Y20 CarbonylContact O-C 3.59Å; V9-Y20 WeakPolarHBondContact O-CA 3.45Å; V9-T21 HydrophobicContact CB-CG2 3.71Å; V9-T21 HydrophobicContact CG1-CG2 4.44Å; V9-T21 PolarHBondContact N-O 3.45Å; V9-T21 PolarHBondContact O-N 3.01Å; V9-I23 HydrophobicContact CG2-CD1 3.62Å; V9-I23 HydrophobicContact CG2-CG1 4.16Å; V9-V31 HydrophobicContact CG1-CG1 4.41Å; V9-V31 HydrophobicContact CG2-CG1 4.09Å; V9-F36 HydrophobicContact CG1-CB 4.23Å; V9-F36 HydrophobicContact CG1-CD2 3.65Å; V9-F36 HydrophobicContact CG1-CE2 4.22Å; V9-F36 HydrophobicContact CG1-CG 4.04Å
10R92.8Very high82.1Confident125 Ų12566.1 Ų66.147%0.47234%0.341SS..EExtended strand (participates in β ladder)trans-74.4129176.9-172.9178.6-174.6-89.58.7110.2T18 Y20 D135R10-T18 HydrophobicContact CG-CG2 3.77Å; R10-Y20 HydrophobicContact CB-CD1 4.07Å; R10-Y20 HydrophobicContact CB-CE1 3.96Å; R10-Y20 HydrophobicContact CG-CD1 4.44Å; R10-Y20 HydrophobicContact CG-CE1 4.05Å; R10-D135 IonicContact CZ-OD2 3.09Å; R10-D135 IonicContact NE-OD2 2.6Å; R10-D135 PolarHBondContact NE-OD2 3.03Å; R10-D135 IonicContact NH2-OD2 3.52Å; R10-D135 PolarHBondContact NH2-OD2 2.89Å; R10-D135 VanDerWaalsContact NH2-OD2 3.14Å
11L90.6Very high82.8Confident7 Ų762.9 Ų62.94%0.03733%0.325CS..EExtended strand (participates in β ladder)trans-103.2-3.2-178.4-60.8178.7000113.6K19 T21 F36 E37 A38 A53 V94L11-K19 HydrophobicContact CB-CB 4.03Å; L11-K19 WeakPolarHBondContact CB-O 3.46Å; L11-K19 HydrophobicContact CD1-CB 4.2Å; L11-K19 PolarHBondContact N-O 2.99Å; L11-T21 HydrophobicContact CD1-CG2 4.5Å; L11-T21 HydrophobicContact CD2-CG2 3.68Å; L11-T21 HydrophobicContact CG-CG2 4.17Å; L11-F36 HydrophobicContact CD2-CB 3.64Å; L11-E37 CarbonylContact O-C 3.57Å; L11-E37 WeakPolarHBondContact O-CA 3.49Å; L11-A38 HydrophobicContact CB-CB 3.71Å; L11-A38 HydrophobicContact CD1-CB 4.07Å; L11-A38 PolarHBondContact O-N 2.92Å; L11-A53 HydrophobicContact CD1-CB 3.74Å; L11-A53 HydrophobicContact CD2-CB 3.86Å; L11-A53 HydrophobicContact CG-CB 4.46Å; L11-V94 HydrophobicContact CD1-CG1 4.1Å
12G85.8Confident85.2Confident19 Ų1951.7 Ų51.720%0.19627%0.27CS..EExtended strand (participates in β ladder)trans85.2-169.3-172.900000113.3T18 K19G12-T18 WeakPolarHBondContact O-CA 3.11Å; G12-K19 PolarHBondContact O-N 3.03Å
13R81.3Confident87.2Confident110 Ų11046.2 Ų46.242%0.41523%0.231SC..EExtended strand (participates in β ladder)trans-100.8124.7-168.2-166.2176.2-171.5-172.7-0.8112.3G16 K17 S145R13-G16 VanDerWaalsContact CZ-O 3.27Å; R13-G16 PolarHBondContact NE-O 3.3Å; R13-G16 PolarHBondContact NH2-O 2.86Å; R13-K17 WeakPolarHBondContact CA-O 3.2Å; R13-S145 PolarHBondContact NH1-OG 3.12Å
14V80.6Confident88.4Confident6 Ų639.9 Ų39.94%0.03620%0.197CC..EExtended strand (participates in β ladder)trans-137.9142.4174.3175.10000108.7G16 K17 K19 A38 M40 I51V14-G16 PolarHBondContact O-N 2.96Å; V14-G16 VanDerWaalsContact O-N 3.09Å; V14-K17 PolarHBondContact N-O 3.12Å; V14-K17 PolarHBondContact O-N 3.41Å; V14-K17 VanDerWaalsContact O-O 3.09Å; V14-K19 HydrophobicContact CB-CG 4.22Å; V14-K19 WeakPolarHBondContact O-CE 3.39Å; V14-A38 HydrophobicContact CB-CB 4.25Å; V14-A38 HydrophobicContact CG2-CB 3.53Å; V14-A38 WeakPolarHBondContact CG2-O 3.19Å; V14-M40 HydrophobicContact CG1-CB 4.06Å; V14-M40 HydrophobicContact CG1-CE 4.25Å; V14-I51 HydrophobicContact CB-CD1 4.38Å; V14-I51 HydrophobicContact CG1-CD1 3.87Å; V14-I51 HydrophobicContact CG1-CG1 4.09Å
15A74.1Confident89.4Confident34 Ų3438 Ų3828%0.28119%0.19SC..THydrogen-bonded Turntrans50.434.8-177.400000113.8M40 E168A15-M40 HydrophobicContact CB-CE 3.67Å; A15-E168 HydrophobicContact CB-CB 4.38Å; A15-E168 HydrophobicContact CB-CG 3.85Å; A15-E168 VanDerWaalsContact CB-OE2 3.29Å; A15-E168 WeakPolarHBondContact CB-OE2 3.14Å; A15-E168 VanDerWaalsContact O-CD 3.27Å; A15-E168 VanDerWaalsContact O-CG 3.27Å; A15-E168 WeakPolarHBondContact O-CG 3.4Å
16G71.5Confident89.7Confident24 Ų2437.5 Ų37.525%0.24719%0.19CC..THydrogen-bonded Turntrans87.21.2174.100000115.6R13 V14R13-G16 VanDerWaalsContact CZ-O 3.27Å; R13-G16 PolarHBondContact NE-O 3.3Å; R13-G16 PolarHBondContact NH2-O 2.86Å; V14-G16 PolarHBondContact O-N 2.96Å; V14-G16 VanDerWaalsContact O-N 3.09Å
17K79.5Confident89.9Confident31 Ų3135.5 Ų35.514%0.13518%0.179CC..EExtended strand (participates in β ladder)trans-137.9154.6174.9-56.5-161.1-139.696.50114.6R13 V14 E168 C169 H170R13-K17 WeakPolarHBondContact CA-O 3.2Å; V14-K17 PolarHBondContact N-O 3.12Å; V14-K17 PolarHBondContact O-N 3.41Å; V14-K17 VanDerWaalsContact O-O 3.09Å; K17-E168 WeakPolarHBondContact CB-OE1 3.37Å; K17-E168 WeakPolarHBondContact CE-OE1 3.36Å; K17-E168 VanDerWaalsContact CG-OE1 3.27Å; K17-E168 WeakPolarHBondContact CG-OE1 3.44Å; K17-E168 IonicContact NZ-OE1 3.64Å; K17-E168 PolarHBondContact NZ-OE1 2.65Å; K17-C169 PolarHBondContact NZ-O 3.2Å; K17-H170 WeakPolarHBondContact CE-O 3.46Å; K17-H170 PolarHBondContact NZ-O 3.37Å
18T86.1Confident90Very high16 Ų1637.9 Ų37.910%0.09819%0.189CC..EExtended strand (participates in β ladder)trans-63134.5171-63.40000110.1R10 G12 Y20 E138R10-T18 HydrophobicContact CG-CG2 3.77Å; G12-T18 WeakPolarHBondContact O-CA 3.11Å; T18-Y20 HydrophobicContact CG2-CD2 4.4Å; T18-Y20 HydrophobicContact CG2-CE1 4.25Å; T18-Y20 HydrophobicContact CG2-CE2 3.68Å; T18-E138 WeakPolarHBondContact CB-OE1 3.36Å; T18-E138 PolarHBondContact N-OE1 3.08Å; T18-E138 PolarHBondContact OG1-OE1 3.39Å
19K89Confident90.1Very high12 Ų1237.7 Ų37.75%0.05219%0.193CC..EExtended strand (participates in β ladder)trans-108.4149.8177.7-58.5-64163-172.80109.5L11 G12 V14 A38 I51 E168L11-K19 HydrophobicContact CB-CB 4.03Å; L11-K19 WeakPolarHBondContact CB-O 3.46Å; L11-K19 HydrophobicContact CD1-CB 4.2Å; L11-K19 PolarHBondContact N-O 2.99Å; G12-K19 PolarHBondContact O-N 3.03Å; V14-K19 HydrophobicContact CB-CG 4.22Å; V14-K19 WeakPolarHBondContact O-CE 3.39Å; K19-A38 HydrophobicContact CB-CB 3.83Å; K19-A38 HydrophobicContact CG-CB 4Å; K19-I51 HydrophobicContact CD-CD1 4.07Å; K19-I51 HydrophobicContact CD-CG2 4.48Å; K19-I51 HydrophobicContact CG-CG2 4.29Å; K19-E168 WeakPolarHBondContact CE-OE2 3.48Å; K19-E168 IonicContact NZ-OE1 3.14Å; K19-E168 PolarHBondContact NZ-OE1 3.21Å; K19-E168 IonicContact NZ-OE2 3.63Å; K19-E168 PolarHBondContact NZ-OE2 2.86Å
20Y94.6Very high90.1Very high30 Ų3037.6 Ų37.612%0.11819%0.192CC..EExtended strand (participates in β ladder)trans-131.1156.6176.6-59.6-91.2000108.5I8 V9 R10 T18 V94 Y125 I129 V132I8-Y20 HydrophobicContact CG2-CD1 3.87Å; I8-Y20 HydrophobicContact CG2-CG 4.15Å; V9-Y20 CarbonylContact O-C 3.59Å; V9-Y20 WeakPolarHBondContact O-CA 3.45Å; R10-Y20 HydrophobicContact CB-CD1 4.07Å; R10-Y20 HydrophobicContact CB-CE1 3.96Å; R10-Y20 HydrophobicContact CG-CD1 4.44Å; R10-Y20 HydrophobicContact CG-CE1 4.05Å; T18-Y20 HydrophobicContact CG2-CD2 4.4Å; T18-Y20 HydrophobicContact CG2-CE1 4.25Å; T18-Y20 HydrophobicContact CG2-CE2 3.68Å; Y20-V94 WeakPolarHBondContact O-CB 3.32Å; Y20-Y125 WeakPolarHBondContact O-CE2 3.48Å; Y20-Y125 PolarHBondContact O-OH 3.29Å; Y20-I129 HydrophobicContact CD2-CD1 3.98Å; Y20-I129 HydrophobicContact CG-CD1 4Å; Y20-V132 HydrophobicContact CE1-CG1 4.06Å; Y20-V132 HydrophobicContact CE2-CG1 4.38Å
21T96.4Very high90.2Very high0 Ų035 Ų350%019%0.19CC..EExtended strand (participates in β ladder)trans-117.8146167.6-179.60000109.9V9 L11 I23 A53 L68 V94 N96V9-T21 HydrophobicContact CB-CG2 3.71Å; V9-T21 HydrophobicContact CG1-CG2 4.44Å; V9-T21 PolarHBondContact N-O 3.45Å; V9-T21 PolarHBondContact O-N 3.01Å; L11-T21 HydrophobicContact CD1-CG2 4.5Å; L11-T21 HydrophobicContact CD2-CG2 3.68Å; L11-T21 HydrophobicContact CG-CG2 4.17Å; T21-I23 HydrophobicContact CG2-CG2 4.44Å; T21-A53 HydrophobicContact CG2-CB 4.42Å; T21-L68 HydrophobicContact CG2-CD2 3.92Å; T21-V94 CarbonylContact C-O 3.53Å; T21-V94 WeakPolarHBondContact CA-O 3.4Å; T21-V94 WeakPolarHBondContact CB-O 3.38Å; T21-V94 PolarHBondContact OG1-O 3.13Å; T21-N96 PolarHBondContact OG1-ND2 3.37Å
22L97.1Very high90.4Very high0 Ų041.6 Ų41.60%022%0.22CC..EExtended strand (participates in β ladder)trans-90.6140.9163.4-60.6-161.7000110.1L6 G7 I8 V94 N96 R97 L124 Y125 A128L6-L22 HydrophobicContact CD1-CD1 4.41Å; L6-L22 HydrophobicContact CD1-CD2 3.84Å; L6-L22 HydrophobicContact CD2-CD1 4.46Å; G7-L22 WeakPolarHBondContact O-CA 3.32Å; I8-L22 HydrophobicContact CB-CD2 4.47Å; I8-L22 HydrophobicContact CG1-CD2 3.84Å; I8-L22 HydrophobicContact CG2-CD2 4.45Å; L22-V94 PolarHBondContact N-O 3.1Å; L22-N96 CarbonylContact O-C 3.58Å; L22-N96 WeakPolarHBondContact O-CA 3.45Å; L22-N96 WeakPolarHBondContact O-CB 3.22Å; L22-N96 PolarHBondContact O-N 2.74Å; L22-R97 HydrophobicContact CB-CG 4.03Å; L22-L124 HydrophobicContact CD1-CB 4.44Å; L22-Y125 HydrophobicContact CD2-CD2 4.49Å; L22-Y125 HydrophobicContact CG-CD2 3.95Å; L22-A128 HydrophobicContact CD1-CB 4.18Å; L22-A128 HydrophobicContact CD2-CB 3.86Å
23I97.6Very high90.8Very high1 Ų145.3 Ų45.31%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-139156.2171.758.2176.2000109.5G7 V9 T21 D27 I28 L68 L72 N96G7-I23 PolarHBondContact N-O 3.21Å; G7-I23 PolarHBondContact O-N 3.13Å; V9-I23 HydrophobicContact CG2-CD1 3.62Å; V9-I23 HydrophobicContact CG2-CG1 4.16Å; T21-I23 HydrophobicContact CG2-CG2 4.44Å; I23-D27 HydrophobicContact CB-CB 4.36Å; I23-I28 HydrophobicContact CD1-CG1 4.35Å; I23-L68 HydrophobicContact CG2-CD2 4.04Å; I23-L72 HydrophobicContact CG2-CD1 4.17Å; I23-N96 HydrophobicContact CG2-CB 4.43Å
24D97Very high91.4Very high28 Ų2842.5 Ų42.515%0.1523%0.225CC..EExtended strand (participates in β ladder)trans-69.4157.1175.1-64.5-57.3000111.5Q26 D27 I28 L98D24-Q26 HydrophobicContact CB-CG 4.04Å; D24-Q26 PolarHBondContact O-N 2.83Å; D24-D27 PolarHBondContact O-N 2.9Å; D24-I28 PolarHBondContact O-N 3.02Å; D24-L98 VanDerWaalsContact OD2-CB 3.27Å; D24-L98 WeakPolarHBondContact OD2-CB 3.3Å; D24-L98 PolarHBondContact OD2-N 2.79Å
25E96.1Very high92Very high91 Ų9144.2 Ų44.243%0.42524%0.24SC..G310 helixtrans-54.1-41.3-179.9176170.4-153.800112.7K5 D27 I28K5-E25 HydrophobicContact CD-CG 4.44Å; K5-E25 VanDerWaalsContact CD-OE1 3.24Å; K5-E25 WeakPolarHBondContact CD-OE1 3.36Å; K5-E25 VanDerWaalsContact CE-OE1 3.29Å; K5-E25 WeakPolarHBondContact CE-OE1 3.4Å; K5-E25 HydrophobicContact CG-CB 4.47Å; K5-E25 HydrophobicContact CG-CG 4.37Å; K5-E25 IonicContact NZ-OE1 2.73Å; K5-E25 PolarHBondContact NZ-OE1 3.34Å; E25-D27 PolarHBondContact O-N 3.4Å; E25-D27 VanDerWaalsContact O-N 3.1Å; E25-I28 HydrophobicContact CB-CD1 4.45Å; E25-I28 HydrophobicContact CG-CD1 4.34Å; E25-I28 WeakPolarHBondContact O-CB 3.48Å; E25-I28 WeakPolarHBondContact O-CG1 3.29Å; E25-I28 PolarHBondContact O-N 2.8Å
26Q96Very high93Very high110 Ų11043.7 Ų43.751%0.51423%0.232SC..G310 helixtrans-62-17.217965.6179.415.400114D24 H76D24-Q26 HydrophobicContact CB-CG 4.04Å; D24-Q26 PolarHBondContact O-N 2.83Å; Q26-H76 PolarHBondContact NE2-CE1 2.78Å; Q26-H76 PolarHBondContact NE2-NE2 3.49Å
27D97.3Very high94Very high0 Ų046.7 Ų46.70%024%0.239CC..G310 helixtrans-104.6-5.8-177.2-70.7-52.7000113.6I23 D24 E25 P29 L30 L72 K75 H76I23-D27 HydrophobicContact CB-CB 4.36Å; D24-D27 PolarHBondContact O-N 2.9Å; E25-D27 PolarHBondContact O-N 3.4Å; E25-D27 VanDerWaalsContact O-N 3.1Å; D27-P29 VanDerWaalsContact C-CD 3.41Å; D27-P29 VanDerWaalsContact C-N 3.3Å; D27-L30 HydrophobicContact CB-CD1 4.06Å; D27-L30 VanDerWaalsContact O-CB 3.26Å; D27-L30 WeakPolarHBondContact O-CB 3.46Å; D27-L30 VanDerWaalsContact O-CG 3.26Å; D27-L30 WeakPolarHBondContact O-CG 3.2Å; D27-L30 PolarHBondContact O-N 2.8Å; D27-L72 HydrophobicContact CB-CD2 3.85Å; D27-L72 VanDerWaalsContact CG-CD2 3.44Å; D27-K75 IonicContact OD1-NZ 3.82Å; D27-K75 PolarHBondContact OD1-NZ 2.72Å; D27-H76 IonicContact OD1-CD2 2.72Å; D27-H76 IonicContact OD1-CE1 3.95Å; D27-H76 PolarHBondContact OD1-CE1 3.42Å; D27-H76 IonicContact OD1-NE2 3.35Å; D27-H76 PolarHBondContact OD1-NE2 2.59Å; D27-H76 IonicContact OD2-CD2 2.67Å; D27-H76 IonicContact OD2-CE1 3.44Å; D27-H76 IonicContact OD2-NE2 2.77Å; D27-H76 PolarHBondContact OD2-NE2 3.12Å
28I96.4Very high94.5Very high57 Ų5745.6 Ų45.629%0.29224%0.236SC..G310 helixtrans-51.5-42.6174.5-65.3173.7000112.6I23 D24 E25 L30 V31I23-I28 HydrophobicContact CD1-CG1 4.35Å; D24-I28 PolarHBondContact O-N 3.02Å; E25-I28 HydrophobicContact CB-CD1 4.45Å; E25-I28 HydrophobicContact CG-CD1 4.34Å; E25-I28 WeakPolarHBondContact O-CB 3.48Å; E25-I28 WeakPolarHBondContact O-CG1 3.29Å; E25-I28 PolarHBondContact O-N 2.8Å; I28-L30 PolarHBondContact O-N 2.96Å; I28-V31 WeakPolarHBondContact O-CG1 3.18Å; I28-V31 WeakPolarHBondContact O-CG2 3.09Å; I28-V31 PolarHBondContact O-N 3.21Å
29P97Very high94.6Very high70 Ų7049.9 Ų49.946%0.45525%0.251SS..G310 helixtrans-60.4-11.4179.3-25.636.3000115.3D27 V31 E32D27-P29 VanDerWaalsContact C-CD 3.41Å; D27-P29 VanDerWaalsContact C-N 3.3Å; P29-V31 PolarHBondContact O-N 3.17Å; P29-E32 WeakPolarHBondContact O-CB 2.98Å; P29-E32 PolarHBondContact O-N 2.85Å; P29-E32 VanDerWaalsContact O-N 3.14Å
30L95.7Very high94.5Very high19 Ų1951 Ų5110%0.09926%0.256CS..G310 helixtrans-59.5-25.6174.2-68.1175.7000112.7D27 I28 E32 N33 Y34 F36 L72D27-L30 HydrophobicContact CB-CD1 4.06Å; D27-L30 VanDerWaalsContact O-CB 3.26Å; D27-L30 WeakPolarHBondContact O-CB 3.46Å; D27-L30 VanDerWaalsContact O-CG 3.26Å; D27-L30 WeakPolarHBondContact O-CG 3.2Å; D27-L30 PolarHBondContact O-N 2.8Å; I28-L30 PolarHBondContact O-N 2.96Å; L30-E32 PolarHBondContact O-N 2.85Å; L30-E32 VanDerWaalsContact O-N 3.12Å; L30-N33 PolarHBondContact O-N 3.08Å; L30-N33 VanDerWaalsContact O-N 3.1Å; L30-Y34 HydrophobicContact CB-CD2 4.32Å; L30-Y34 HydrophobicContact CD2-CD2 4.04Å; L30-Y34 HydrophobicContact CD2-CE2 4Å; L30-Y34 WeakPolarHBondContact O-CB 3.37Å; L30-Y34 PolarHBondContact O-N 3.41Å; L30-F36 HydrophobicContact CB-CZ 3.94Å; L30-L72 HydrophobicContact CD1-CD2 3.54Å
31V94.7Very high94.1Very high70 Ų7053 Ų5342%0.42427%0.267SS..G310 helixtrans-61.5-17.8176.7-55.20000114.1V9 I28 P29 F36V9-V31 HydrophobicContact CG1-CG1 4.41Å; V9-V31 HydrophobicContact CG2-CG1 4.09Å; I28-V31 WeakPolarHBondContact O-CG1 3.18Å; I28-V31 WeakPolarHBondContact O-CG2 3.09Å; I28-V31 PolarHBondContact O-N 3.21Å; P29-V31 PolarHBondContact O-N 3.17Å; V31-F36 HydrophobicContact CB-CE2 4.32Å; V31-F36 HydrophobicContact CG1-CD2 4.5Å; V31-F36 HydrophobicContact CG1-CE2 3.79Å
32E95Very high93.4Very high145 Ų14555.1 Ų55.168%0.67828%0.279SS*.G310 helixtrans-76-28.4177.4-61.2178.117400112.2P29 L30P29-E32 WeakPolarHBondContact O-CB 2.98Å; P29-E32 PolarHBondContact O-N 2.85Å; P29-E32 VanDerWaalsContact O-N 3.14Å; L30-E32 PolarHBondContact O-N 2.85Å; L30-E32 VanDerWaalsContact O-N 3.12Å
33N93.8Very high92.4Very high97 Ų9757.9 Ų57.952%0.51929%0.294SS..THydrogen-bonded Turntrans-118.7-12.8-172.1-61.5-66.5000113.3L30 I58L30-N33 PolarHBondContact O-N 3.08Å; L30-N33 VanDerWaalsContact O-N 3.1Å; N33-I58 WeakPolarHBondContact O-CG1 3.08Å; N33-I58 PolarHBondContact O-N 3.38Å
34Y94.4Very high91.3Very high51 Ų5163 Ų6320%0.234%0.336CS..EExtended strand (participates in β ladder)trans-125.7135.4-178.3-67.8-93000111.6L30 F36 A55 F56 D57 L71L30-Y34 HydrophobicContact CB-CD2 4.32Å; L30-Y34 HydrophobicContact CD2-CD2 4.04Å; L30-Y34 HydrophobicContact CD2-CE2 4Å; L30-Y34 WeakPolarHBondContact O-CB 3.37Å; L30-Y34 PolarHBondContact O-N 3.41Å; Y34-F36 WeakPolarHBondContact O-CE2 3.42Å; Y34-A55 HydrophobicContact CD1-CB 3.82Å; Y34-A55 HydrophobicContact CG-CB 4.35Å; Y34-F56 CarbonylContact C-O 3.56Å; Y34-F56 VanDerWaalsContact CA-O 3.28Å; Y34-F56 WeakPolarHBondContact CA-O 3.43Å; Y34-D57 HydrophobicContact CD1-CB 4.28Å; Y34-D57 HydrophobicContact CE1-CB 3.87Å; Y34-L71 HydrophobicContact CD1-CD2 4.33Å; Y34-L71 HydrophobicContact CE1-CD1 4.4Å; Y34-L71 HydrophobicContact CE1-CD2 4.06Å
35A93.1Very high90.1Very high43 Ų4368.3 Ų68.336%0.35537%0.365SS..EExtended strand (participates in β ladder)trans-86.8144.2159.700000109.2A55 F56 I58A35-A55 WeakPolarHBondContact O-CA 3.47Å; A35-F56 HydrophobicContact CB-CB 4.44Å; A35-F56 PolarHBondContact N-O 3.03Å; A35-F56 PolarHBondContact O-N 3.41Å; A35-I58 HydrophobicContact CB-CG1 4.38Å
36F94.3Very high88.7Confident23 Ų2366.2 Ų66.210%0.10137%0.368CS..EExtended strand (participates in β ladder)trans-117.7134.7-179.5-58.4-87.9000111.5V9 L11 L30 V31 Y34 Y54 A55 L68V9-F36 HydrophobicContact CG1-CB 4.23Å; V9-F36 HydrophobicContact CG1-CD2 3.65Å; V9-F36 HydrophobicContact CG1-CE2 4.22Å; V9-F36 HydrophobicContact CG1-CG 4.04Å; L11-F36 HydrophobicContact CD2-CB 3.64Å; L30-F36 HydrophobicContact CB-CZ 3.94Å; V31-F36 HydrophobicContact CB-CE2 4.32Å; V31-F36 HydrophobicContact CG1-CD2 4.5Å; V31-F36 HydrophobicContact CG1-CE2 3.79Å; Y34-F36 WeakPolarHBondContact O-CE2 3.42Å; F36-Y54 VanDerWaalsContact CA-O 3.28Å; F36-Y54 WeakPolarHBondContact CA-O 3.42Å; F36-A55 HydrophobicContact CD1-CB 3.98Å; F36-A55 HydrophobicContact CE1-CB 3.87Å; F36-L68 HydrophobicContact CD1-CD1 4.36Å; F36-L68 HydrophobicContact CD1-CD2 4.04Å; F36-L68 HydrophobicContact CE1-CD1 3.72Å; F36-L68 HydrophobicContact CE1-CD2 4.02Å; F36-L68 HydrophobicContact CE1-CG 4.48Å
37E92.3Very high87.4Confident86 Ų8665.8 Ų65.840%0.40237%0.369SS..EExtended strand (participates in β ladder)trans-135.3148.2177.5-55.2-174.9167.200110.9L11 Y54 F56L11-E37 CarbonylContact O-C 3.57Å; L11-E37 WeakPolarHBondContact O-CA 3.49Å; E37-Y54 PolarHBondContact N-O 2.9Å; E37-Y54 PolarHBondContact O-N 2.91Å; E37-F56 HydrophobicContact CB-CD2 4.48Å; E37-F56 HydrophobicContact CB-CE2 3.84Å; E37-F56 HydrophobicContact CG-CD2 4.17Å; E37-F56 HydrophobicContact CG-CE2 3.91Å
38A90.7Very high86.4Confident9 Ų966 Ų667%0.07437%0.371CS..EExtended strand (participates in β ladder)trans-84.5135.2171.300000109.5L11 V14 K19 I51 F52L11-A38 HydrophobicContact CB-CB 3.71Å; L11-A38 HydrophobicContact CD1-CB 4.07Å; L11-A38 PolarHBondContact O-N 2.92Å; V14-A38 HydrophobicContact CB-CB 4.25Å; V14-A38 HydrophobicContact CG2-CB 3.53Å; V14-A38 WeakPolarHBondContact CG2-O 3.19Å; K19-A38 HydrophobicContact CB-CB 3.83Å; K19-A38 HydrophobicContact CG-CB 4Å; A38-I51 HydrophobicContact CB-CG2 3.87Å; A38-F52 WeakPolarHBondContact CA-O 3.23Å
39R88.8Confident85.8Confident106 Ų10664 Ų6440%0.436%0.363SS..EExtended strand (participates in β ladder)trans-122.7136.2171.2-66.7-165.3172.9-164.9-3.5110.4I51 F52 Y54 F56R39-I51 CarbonylContact O-C 3.59Å; R39-I51 VanDerWaalsContact O-CA 3.3Å; R39-I51 WeakPolarHBondContact O-CA 3.24Å; R39-F52 PolarHBondContact N-O 3.42Å; R39-F52 PolarHBondContact O-N 2.88Å; R39-Y54 HydrophobicContact CB-CD2 3.67Å; R39-Y54 HydrophobicContact CB-CE2 3.72Å; R39-Y54 HydrophobicContact CB-CG 4.43Å; R39-Y54 HydrophobicContact CG-CD2 3.68Å; R39-Y54 HydrophobicContact CG-CE2 4.08Å; R39-Y54 HydrophobicContact CG-CG 3.95Å; R39-F56 VanDerWaalsContact NH2-CZ 3.3Å
40M86.4Confident85.3Confident34 Ų3466.3 Ų66.317%0.16737%0.366CS..EExtended strand (participates in β ladder)trans-87.8128.8170.2-179.7176.2-74.800108.5V14 A15 A49 K50 I51 Y166 I177V14-M40 HydrophobicContact CG1-CB 4.06Å; V14-M40 HydrophobicContact CG1-CE 4.25Å; A15-M40 HydrophobicContact CB-CE 3.67Å; M40-A49 HydrophobicContact CG-CB 3.95Å; M40-A49 HydrophobicContact SD-CB 4.08Å; M40-K50 CarbonylContact C-O 3.56Å; M40-K50 WeakPolarHBondContact CA-O 3.44Å; M40-I51 HydrophobicContact CB-CG1 4.48Å; M40-I51 HydrophobicContact CE-CD1 4.48Å; M40-I51 HydrophobicContact CE-CG1 4.42Å; M40-Y166 HydrophobicContact SD-CD2 4.31Å; M40-I177 HydrophobicContact CE-CD1 4.11Å
41E86.4Confident85Confident74 Ų7466 Ų6635%0.34636%0.364SS..EExtended strand (participates in β ladder)trans-113.8123.3172.4-69.1179.9-160.300108.4A49 K50 F52 Y54E41-A49 CarbonylContact O-C 3.58Å; E41-A49 VanDerWaalsContact O-CA 3.24Å; E41-A49 WeakPolarHBondContact O-CA 3.48Å; E41-A49 WeakPolarHBondContact O-CB 3.42Å; E41-K50 PolarHBondContact N-O 3.32Å; E41-K50 PolarHBondContact O-N 3.03Å; E41-F52 HydrophobicContact CB-CD2 4.12Å; E41-F52 HydrophobicContact CB-CE2 4.17Å; E41-F52 HydrophobicContact CG-CD2 3.98Å; E41-F52 HydrophobicContact CG-CE2 4.39Å; E41-F52 WeakPolarHBondContact OE2-CE2 3.42Å; E41-Y54 WeakPolarHBondContact OE1-CE2 3.32Å; E41-Y54 PolarHBondContact OE1-OH 3.22Å
42V81Confident85Confident43 Ų4363.8 Ų63.826%0.26135%0.349SS..EExtended strand (participates in β ladder)trans-93.7129178.7179.80000108.2A44 A49 Y166V42-A44 PolarHBondContact O-N 3.47Å; V42-A49 HydrophobicContact CG2-CB 4.18Å; V42-Y166 HydrophobicContact CB-CE2 4.19Å; V42-Y166 HydrophobicContact CG1-CE2 3.54Å; V42-Y166 WeakPolarHBondContact CG1-OH 3.46Å; V42-Y166 HydrophobicContact CG2-CD2 4.02Å; V42-Y166 HydrophobicContact CG2-CE2 3.55Å
43D77.3Confident85.1Confident59 Ų5956.9 Ų56.932%0.31632%0.317SS..  trans-67.3120.5174.5-172-68000109D45 G46 N47 G48D43-D45 PolarHBondContact O-N 3.39Å; D43-D45 WeakPolarHBondContact OD1-CA 3.34Å; D43-D45 WeakPolarHBondContact OD1-CB 3.38Å; D43-D45 PolarHBondContact OD1-N 3.12Å; D43-G46 PolarHBondContact O-N 3.06Å; D43-N47 HydrophobicContact CB-CB 4.19Å; D43-N47 PolarHBondContact OD1-N 3.13Å; D43-N47 PolarHBondContact OD1-ND2 3.03Å; D43-N47 VanDerWaalsContact OD1-ND2 3.13Å; D43-G48 VanDerWaalsContact CB-O 3.24Å; D43-G48 WeakPolarHBondContact CB-O 3.44Å; D43-G48 PolarHBondContact N-O 3.2Å
44A73.2Confident85.2Confident107 Ų10753.7 Ų53.788%0.88430%0.298SS*.THydrogen-bonded Turntrans-62.4-24.9-175.100000113V42 G46V42-A44 PolarHBondContact O-N 3.47Å; A44-G46 PolarHBondContact O-N 2.69Å
45D71.7Confident85.2Confident141 Ų14151.3 Ų51.375%0.75429%0.288SS*.THydrogen-bonded Turntrans-85.94.6176.7-58.2-42.3000112D43 N47D43-D45 PolarHBondContact O-N 3.39Å; D43-D45 WeakPolarHBondContact OD1-CA 3.34Å; D43-D45 WeakPolarHBondContact OD1-CB 3.38Å; D43-D45 PolarHBondContact OD1-N 3.12Å; D45-N47 WeakPolarHBondContact CB-ND2 3.49Å
46G66.8Low85.2Confident47 Ų4749.8 Ų49.849%0.48527%0.274SS..SBendtrans77.218.1177.900000114D43 A44 G48D43-G46 PolarHBondContact O-N 3.06Å; A44-G46 PolarHBondContact O-N 2.69Å; G46-G48 PolarHBondContact O-N 3.09Å; G46-G48 VanDerWaalsContact O-N 3.13Å
47N69.3Low85.1Confident100 Ų10050.1 Ų50.154%0.53528%0.277SS..SBendtrans-77.610-179.9-60-61.3000114.3D43 D45D43-N47 HydrophobicContact CB-CB 4.19Å; D43-N47 PolarHBondContact OD1-N 3.13Å; D43-N47 PolarHBondContact OD1-ND2 3.03Å; D43-N47 VanDerWaalsContact OD1-ND2 3.13Å; D45-N47 WeakPolarHBondContact CB-ND2 3.49Å
48G76.5Confident85Confident5 Ų550.9 Ų50.95%0.05228%0.282CS..  trans116.2-162.1177.100000112.8D43 G46D43-G48 VanDerWaalsContact CB-O 3.24Å; D43-G48 WeakPolarHBondContact CB-O 3.44Å; D43-G48 PolarHBondContact N-O 3.2Å; G46-G48 PolarHBondContact O-N 3.09Å; G46-G48 VanDerWaalsContact O-N 3.13Å
49A83.7Confident84.8Confident14 Ų1454 Ų5412%0.11632%0.315CS..EExtended strand (participates in β ladder)trans-132154.8175.400000111.1M40 E41 V42 Y166 I177M40-A49 HydrophobicContact CG-CB 3.95Å; M40-A49 HydrophobicContact SD-CB 4.08Å; E41-A49 CarbonylContact O-C 3.58Å; E41-A49 VanDerWaalsContact O-CA 3.24Å; E41-A49 WeakPolarHBondContact O-CA 3.48Å; E41-A49 WeakPolarHBondContact O-CB 3.42Å; V42-A49 HydrophobicContact CG2-CB 4.18Å; A49-Y166 HydrophobicContact CB-CD1 3.99Å; A49-Y166 HydrophobicContact CB-CD2 3.97Å; A49-Y166 HydrophobicContact CB-CE1 4.25Å; A49-Y166 HydrophobicContact CB-CE2 4.23Å; A49-Y166 HydrophobicContact CB-CG 3.86Å; A49-I177 HydrophobicContact CB-CD1 4.43Å; A49-I177 HydrophobicContact CB-CG2 4.29Å; A49-I177 WeakPolarHBondContact O-CD1 3.35Å
50K86.7Confident84.6Confident120 Ų12055 Ų5552%0.52232%0.322SS..EExtended strand (participates in β ladder)trans-127.4154.6175.5-66.4174.8-173.4167.60109.4M40 E41 F52 T93M40-K50 CarbonylContact C-O 3.56Å; M40-K50 WeakPolarHBondContact CA-O 3.44Å; E41-K50 PolarHBondContact N-O 3.32Å; E41-K50 PolarHBondContact O-N 3.03Å; K50-F52 HydrophobicContact CB-CD2 4.26Å; K50-F52 HydrophobicContact CB-CE2 3.66Å; K50-F52 HydrophobicContact CB-CZ 4.26Å; K50-F52 HydrophobicContact CD-CE2 4.27Å; K50-F52 HydrophobicContact CD-CZ 4.15Å; K50-T93 HydrophobicContact CB-CG2 4.32Å; K50-T93 HydrophobicContact CD-CG2 4.02Å
51I89.5Confident84Confident12 Ų1255 Ų556%0.06233%0.331CS..EExtended strand (participates in β ladder)trans-110.6123.2174.5-66.2168.6000108.3V14 K19 A38 R39 M40 T93 V94 I177V14-I51 HydrophobicContact CB-CD1 4.38Å; V14-I51 HydrophobicContact CG1-CD1 3.87Å; V14-I51 HydrophobicContact CG1-CG1 4.09Å; K19-I51 HydrophobicContact CD-CD1 4.07Å; K19-I51 HydrophobicContact CD-CG2 4.48Å; K19-I51 HydrophobicContact CG-CG2 4.29Å; A38-I51 HydrophobicContact CB-CG2 3.87Å; R39-I51 CarbonylContact O-C 3.59Å; R39-I51 VanDerWaalsContact O-CA 3.3Å; R39-I51 WeakPolarHBondContact O-CA 3.24Å; M40-I51 HydrophobicContact CB-CG1 4.48Å; M40-I51 HydrophobicContact CE-CD1 4.48Å; M40-I51 HydrophobicContact CE-CG1 4.42Å; I51-T93 VanDerWaalsContact O-CB 3.28Å; I51-T93 WeakPolarHBondContact O-CB 3.25Å; I51-T93 PolarHBondContact O-OG1 3.31Å; I51-V94 HydrophobicContact CG2-CG1 4.26Å; I51-V94 WeakPolarHBondContact O-CG1 3.29Å; I51-I177 HydrophobicContact CD1-CD1 3.94Å; I51-I177 HydrophobicContact CG1-CD1 3.84Å
52F94.2Very high83.2Confident23 Ų2361.8 Ų61.810%0.10135%0.353CS..EExtended strand (participates in β ladder)trans-110.1152176.9-69.8-88000110.8A38 R39 E41 K50 Y54 H69 T93A38-F52 WeakPolarHBondContact CA-O 3.23Å; R39-F52 PolarHBondContact N-O 3.42Å; R39-F52 PolarHBondContact O-N 2.88Å; E41-F52 HydrophobicContact CB-CD2 4.12Å; E41-F52 HydrophobicContact CB-CE2 4.17Å; E41-F52 HydrophobicContact CG-CD2 3.98Å; E41-F52 HydrophobicContact CG-CE2 4.39Å; E41-F52 WeakPolarHBondContact OE2-CE2 3.42Å; K50-F52 HydrophobicContact CB-CD2 4.26Å; K50-F52 HydrophobicContact CB-CE2 3.66Å; K50-F52 HydrophobicContact CB-CZ 4.26Å; K50-F52 HydrophobicContact CD-CE2 4.27Å; K50-F52 HydrophobicContact CD-CZ 4.15Å; F52-Y54 HydrophobicContact CB-CD2 4.25Å; F52-Y54 HydrophobicContact CB-CE2 3.95Å; F52-H69 AromaticContact CD1-CE1 3.79Å; F52-T93 HydrophobicContact CD1-CG2 4.03Å; F52-T93 HydrophobicContact CE1-CG2 3.4Å; F52-T93 VanDerWaalsContact CE1-CG2 3.4Å; F52-T93 HydrophobicContact CE2-CG2 4.31Å; F52-T93 HydrophobicContact CZ-CG2 3.58Å
53A96.8Very high82.9Confident0 Ų069.9 Ų69.90%038%0.379CS..EExtended strand (participates in β ladder)trans-84131.2166.800000109.5L11 T21 L68L11-A53 HydrophobicContact CD1-CB 3.74Å; L11-A53 HydrophobicContact CD2-CB 3.86Å; L11-A53 HydrophobicContact CG-CB 4.46Å; T21-A53 HydrophobicContact CG2-CB 4.42Å; A53-L68 HydrophobicContact CB-CB 3.9Å; A53-L68 HydrophobicContact CB-CD2 3.84Å; A53-L68 VanDerWaalsContact O-CB 3.3Å; A53-L68 WeakPolarHBondContact O-CB 3.21Å; A53-L68 PolarHBondContact O-N 2.99Å
54Y95.4Very high83Confident31 Ų3168.2 Ų68.212%0.12237%0.374CS..EExtended strand (participates in β ladder)trans-113.7144.9173-85.2-113.6000109.8F36 E37 R39 E41 F52 R66 P67F36-Y54 VanDerWaalsContact CA-O 3.28Å; F36-Y54 WeakPolarHBondContact CA-O 3.42Å; E37-Y54 PolarHBondContact N-O 2.9Å; E37-Y54 PolarHBondContact O-N 2.91Å; R39-Y54 HydrophobicContact CB-CD2 3.67Å; R39-Y54 HydrophobicContact CB-CE2 3.72Å; R39-Y54 HydrophobicContact CB-CG 4.43Å; R39-Y54 HydrophobicContact CG-CD2 3.68Å; R39-Y54 HydrophobicContact CG-CE2 4.08Å; R39-Y54 HydrophobicContact CG-CG 3.95Å; E41-Y54 WeakPolarHBondContact OE1-CE2 3.32Å; E41-Y54 PolarHBondContact OE1-OH 3.22Å; F52-Y54 HydrophobicContact CB-CD2 4.25Å; F52-Y54 HydrophobicContact CB-CE2 3.95Å; Y54-R66 WeakPolarHBondContact CA-O 3.32Å; Y54-R66 VanDerWaalsContact CD1-C 3.49Å; Y54-P67 HydrophobicContact CE1-CG 4.11Å
55A95.8Very high83.8Confident0 Ų064.4 Ų64.40%035%0.345CS..EExtended strand (participates in β ladder)trans-114.5133.6175.100000109.8Y34 A35 F36 G65 R66 L68 L71Y34-A55 HydrophobicContact CD1-CB 3.82Å; Y34-A55 HydrophobicContact CG-CB 4.35Å; A35-A55 WeakPolarHBondContact O-CA 3.47Å; F36-A55 HydrophobicContact CD1-CB 3.98Å; F36-A55 HydrophobicContact CE1-CB 3.87Å; A55-G65 WeakPolarHBondContact O-CA 3.48Å; A55-R66 PolarHBondContact N-O 2.92Å; A55-R66 PolarHBondContact O-N 3.44Å; A55-L68 HydrophobicContact CB-CD1 4.21Å; A55-L71 HydrophobicContact CB-CD2 3.79Å
56F93.4Very high84.8Confident12 Ų1261 Ų615%0.05332%0.322CS..EExtended strand (participates in β ladder)trans-119.6116.4-179.6-62.4-96.8000109Y34 A35 E37 R39 I58 R62Y34-F56 CarbonylContact C-O 3.56Å; Y34-F56 VanDerWaalsContact CA-O 3.28Å; Y34-F56 WeakPolarHBondContact CA-O 3.43Å; A35-F56 HydrophobicContact CB-CB 4.44Å; A35-F56 PolarHBondContact N-O 3.03Å; A35-F56 PolarHBondContact O-N 3.41Å; E37-F56 HydrophobicContact CB-CD2 4.48Å; E37-F56 HydrophobicContact CB-CE2 3.84Å; E37-F56 HydrophobicContact CG-CD2 4.17Å; E37-F56 HydrophobicContact CG-CE2 3.91Å; R39-F56 VanDerWaalsContact NH2-CZ 3.3Å; F56-I58 PolarHBondContact O-N 3.26Å; F56-R62 WeakPolarHBondContact CD1-O 3.38Å; F56-R62 WeakPolarHBondContact CE1-O 3.43Å
57D91.8Very high86.2Confident30 Ų3059.7 Ų59.716%0.1630%0.304CS..EExtended strand (participates in β ladder)trans-62.9116.1176-176.7-31.3000109.5Y34 G59 K60 G61Y34-D57 HydrophobicContact CD1-CB 4.28Å; Y34-D57 HydrophobicContact CE1-CB 3.87Å; D57-G59 PolarHBondContact O-N 2.77Å; D57-G59 WeakPolarHBondContact OD1-CA 3.34Å; D57-G59 PolarHBondContact OD1-N 3.32Å; D57-K60 HydrophobicContact CB-CB 4.13Å; D57-K60 HydrophobicContact CB-CD 4.2Å; D57-K60 HydrophobicContact CB-CG 4.26Å; D57-K60 PolarHBondContact O-N 2.94Å; D57-K60 PolarHBondContact OD1-N 3Å; D57-K60 VanDerWaalsContact OD2-CD 3.25Å; D57-K60 WeakPolarHBondContact OD2-CD 3.33Å; D57-K60 WeakPolarHBondContact OD2-CE 3.4Å; D57-K60 IonicContact OD2-NZ 2.86Å; D57-K60 PolarHBondContact OD2-NZ 3.01Å; D57-G61 PolarHBondContact O-N 3.17Å
58I89.3Confident87.6Confident102 Ų10255 Ų5552%0.52328%0.279SS..THydrogen-bonded Turntrans-63-32.1-176.1-63.3170.2000110.5N33 A35 F56N33-I58 WeakPolarHBondContact O-CG1 3.08Å; N33-I58 PolarHBondContact O-N 3.38Å; A35-I58 HydrophobicContact CB-CG1 4.38Å; F56-I58 PolarHBondContact O-N 3.26Å
59G87.4Confident88.6Confident74 Ų7455.3 Ų55.376%0.76328%0.279SS*.THydrogen-bonded Turntrans-77.1-21.3-179.900000114.3D57D57-G59 PolarHBondContact O-N 2.77Å; D57-G59 WeakPolarHBondContact OD1-CA 3.34Å; D57-G59 PolarHBondContact OD1-N 3.32Å
60K84.8Confident89.3Confident127 Ų12757.3 Ų57.355%0.55229%0.286SS*.THydrogen-bonded Turntrans-101.6-11.9-178.4-63.6178.7-172.5159.80113.8D57 W63 A64D57-K60 HydrophobicContact CB-CB 4.13Å; D57-K60 HydrophobicContact CB-CD 4.2Å; D57-K60 HydrophobicContact CB-CG 4.26Å; D57-K60 PolarHBondContact O-N 2.94Å; D57-K60 PolarHBondContact OD1-N 3Å; D57-K60 VanDerWaalsContact OD2-CD 3.25Å; D57-K60 WeakPolarHBondContact OD2-CD 3.33Å; D57-K60 WeakPolarHBondContact OD2-CE 3.4Å; D57-K60 IonicContact OD2-NZ 2.86Å; D57-K60 PolarHBondContact OD2-NZ 3.01Å; K60-W63 VanDerWaalsContact O-CE2 3.25Å; K60-W63 WeakPolarHBondContact O-CZ2 3.24Å; K60-W63 PolarHBondContact O-NE1 3.36Å; K60-A64 HydrophobicContact CB-CB 3.71Å; K60-A64 HydrophobicContact CD-CB 4.38Å
61G72.8Confident89.8Confident33 Ų3352.5 Ų52.534%0.3427%0.266SS..  trans84.3177.7-179.700000113.7D57 W63 A64D57-G61 PolarHBondContact O-N 3.17Å; G61-W63 VanDerWaalsContact C-N 3.26Å; G61-W63 PolarHBondContact O-N 3.06Å; G61-W63 VanDerWaalsContact O-N 3.11Å; G61-A64 PolarHBondContact O-N 2.62Å
62R70.8Confident90.2Very high217 Ų21752 Ų5282%0.81926%0.263SS*.THydrogen-bonded Turntrans-66.5-15.8-165.4-69.1-171176.1-177.2-0.7116.2F56 A64F56-R62 WeakPolarHBondContact CD1-O 3.38Å; F56-R62 WeakPolarHBondContact CE1-O 3.43Å; R62-A64 VanDerWaalsContact C-N 3.32Å
63W74Confident90.4Very high213 Ų21352 Ų5281%0.80726%0.263SS*.THydrogen-bonded Turntrans-80.8-13.8-179.556.9-91.5000112.9K60 G61 G65K60-W63 VanDerWaalsContact O-CE2 3.25Å; K60-W63 WeakPolarHBondContact O-CZ2 3.24Å; K60-W63 PolarHBondContact O-NE1 3.36Å; G61-W63 VanDerWaalsContact C-N 3.26Å; G61-W63 PolarHBondContact O-N 3.06Å; G61-W63 VanDerWaalsContact O-N 3.11Å; W63-G65 VanDerWaalsContact C-N 3.28Å; W63-G65 PolarHBondContact O-N 2.71Å
64A79.3Confident90.4Very high25 Ų2555.2 Ų55.221%0.20728%0.278CS..  trans-91.632-179.100000113.4K60 G61 R62K60-A64 HydrophobicContact CB-CB 3.71Å; K60-A64 HydrophobicContact CD-CB 4.38Å; G61-A64 PolarHBondContact O-N 2.62Å; R62-A64 VanDerWaalsContact C-N 3.32Å
65G89.3Confident90.5Very high26 Ų2658.9 Ų58.927%0.26829%0.294SS..EExtended strand (participates in β ladder)trans-76.8136.6177.900000112.3A55 W63A55-G65 WeakPolarHBondContact O-CA 3.48Å; W63-G65 VanDerWaalsContact C-N 3.28Å; W63-G65 PolarHBondContact O-N 2.71Å
66R93.3Very high90.6Very high71 Ų7161.9 Ų61.927%0.26831%0.308SS..EExtended strand (participates in β ladder)trans-143.4162.4173.769.7178.5-62.1-172.64.1112.6Y54 A55 L68 E70 L71 E74Y54-R66 WeakPolarHBondContact CA-O 3.32Å; Y54-R66 VanDerWaalsContact CD1-C 3.49Å; A55-R66 PolarHBondContact N-O 2.92Å; A55-R66 PolarHBondContact O-N 3.44Å; R66-L68 PolarHBondContact O-N 3.04Å; R66-E70 IonicContact NH2-OE2 2.98Å; R66-L71 HydrophobicContact CG-CB 4.49Å; R66-E74 IonicContact CZ-OE2 3.55Å; R66-E74 IonicContact NH1-OE2 3.66Å; R66-E74 PolarHBondContact NH1-OE2 2.89Å; R66-E74 IonicContact NH2-OE1 2.85Å; R66-E74 PolarHBondContact NH2-OE1 3.34Å; R66-E74 IonicContact NH2-OE2 3.68Å; R66-E74 PolarHBondContact NH2-OE2 3.47Å
67P96.7Very high90.7Very high19 Ų1967 Ų6712%0.12333%0.327CS..EExtended strand (participates in β ladder)trans-61.9133.4177.9-2031.7000112.1Y54 H69 E70 L71Y54-P67 HydrophobicContact CE1-CG 4.11Å; P67-H69 WeakPolarHBondContact CB-CE1 3.3Å; P67-H69 PolarHBondContact O-N 3.09Å; P67-E70 HydrophobicContact CB-CG 4.21Å; P67-E70 HydrophobicContact CG-CG 4.5Å; P67-E70 PolarHBondContact O-N 2.91Å; P67-L71 PolarHBondContact O-N 2.85Å; P67-L71 VanDerWaalsContact O-N 3.16Å
68L97.8Very high90.9Very high0 Ų067.1 Ų67.10%034%0.336CS..Hα-helixtrans-64.5-39.6-176.2178.255000112.4T21 I23 F36 A53 A55 R66 E70 L71 L72 N96T21-L68 HydrophobicContact CG2-CD2 3.92Å; I23-L68 HydrophobicContact CG2-CD2 4.04Å; F36-L68 HydrophobicContact CD1-CD1 4.36Å; F36-L68 HydrophobicContact CD1-CD2 4.04Å; F36-L68 HydrophobicContact CE1-CD1 3.72Å; F36-L68 HydrophobicContact CE1-CD2 4.02Å; F36-L68 HydrophobicContact CE1-CG 4.48Å; A53-L68 HydrophobicContact CB-CB 3.9Å; A53-L68 HydrophobicContact CB-CD2 3.84Å; A53-L68 VanDerWaalsContact O-CB 3.3Å; A53-L68 WeakPolarHBondContact O-CB 3.21Å; A53-L68 PolarHBondContact O-N 2.99Å; A55-L68 HydrophobicContact CB-CD1 4.21Å; R66-L68 PolarHBondContact O-N 3.04Å; L68-E70 VanDerWaalsContact C-N 3.29Å; L68-E70 PolarHBondContact O-N 2.85Å; L68-L71 HydrophobicContact CD1-CD2 4.09Å; L68-L71 WeakPolarHBondContact O-CB 3.33Å; L68-L71 PolarHBondContact O-N 2.82Å; L68-L72 HydrophobicContact CD1-CD1 3.95Å; L68-L72 HydrophobicContact CD1-CD2 4.37Å; L68-L72 HydrophobicContact CD1-CG 3.85Å; L68-L72 HydrophobicContact CG-CD1 3.89Å; L68-L72 HydrophobicContact CG-CG 4.26Å; L68-L72 WeakPolarHBondContact O-CG 3.21Å; L68-L72 PolarHBondContact O-N 3.07Å; L68-N96 HydrophobicContact CD2-CB 4.15Å; L68-N96 HydrophobicContact CG-CB 4.22Å
69H97.9Very high91.2Very high13 Ų1365.4 Ų65.46%0.0634%0.343CS..Hα-helixtrans-61.4-37.217957.5-77.5000112.6F52 P67 W73 V86 H88 N96 L101F52-H69 AromaticContact CD1-CE1 3.79Å; P67-H69 WeakPolarHBondContact CB-CE1 3.3Å; P67-H69 PolarHBondContact O-N 3.09Å; H69-W73 VanDerWaalsContact O-CB 3.3Å; H69-W73 WeakPolarHBondContact O-CB 3.45Å; H69-W73 PolarHBondContact O-N 2.86Å; H69-V86 HydrophobicContact CB-CG1 4.39Å; H69-V86 PolarHBondContact CD2-O 2.92Å; H69-V86 PolarHBondContact NE2-O 2.88Å; H69-H88 AromaticContact CG-CE1 3.66Å; H69-H88 AromaticContact ND1-CE1 3.79Å; H69-N96 VanDerWaalsContact CB-OD1 3.3Å; H69-N96 WeakPolarHBondContact CB-OD1 3.41Å; H69-N96 PolarHBondContact N-OD1 3.08Å; H69-L101 HydrophobicContact CB-CD1 3.98Å; H69-L101 HydrophobicContact CB-CD2 3.73Å; H69-L101 WeakPolarHBondContact O-CD1 3.45Å
70E97.6Very high91.7Very high56 Ų5663.6 Ų63.626%0.26232%0.316SS..Hα-helixtrans-69.8-44.8174.4-65.5-176179.200111.7R66 P67 L68 L72 W73 E74 I80R66-E70 IonicContact NH2-OE2 2.98Å; P67-E70 HydrophobicContact CB-CG 4.21Å; P67-E70 HydrophobicContact CG-CG 4.5Å; P67-E70 PolarHBondContact O-N 2.91Å; L68-E70 VanDerWaalsContact C-N 3.29Å; L68-E70 PolarHBondContact O-N 2.85Å; E70-L72 VanDerWaalsContact C-N 3.3Å; E70-L72 PolarHBondContact O-N 3.31Å; E70-W73 PolarHBondContact O-N 3.16Å; E70-E74 WeakPolarHBondContact O-CG 3.16Å; E70-E74 PolarHBondContact O-N 3.27Å; E70-I80 HydrophobicContact CB-CD1 3.78Å; E70-I80 HydrophobicContact CG-CD1 3.85Å
71L97.2Very high92.3Very high18 Ų1859.8 Ų59.89%0.09431%0.308CS..Hα-helixtrans-54.7-48.1176.2178.375.9000111Y34 A55 R66 P67 L68 K75Y34-L71 HydrophobicContact CD1-CD2 4.33Å; Y34-L71 HydrophobicContact CE1-CD1 4.4Å; Y34-L71 HydrophobicContact CE1-CD2 4.06Å; A55-L71 HydrophobicContact CB-CD2 3.79Å; R66-L71 HydrophobicContact CG-CB 4.49Å; P67-L71 PolarHBondContact O-N 2.85Å; P67-L71 VanDerWaalsContact O-N 3.16Å; L68-L71 HydrophobicContact CD1-CD2 4.09Å; L68-L71 WeakPolarHBondContact O-CB 3.33Å; L68-L71 PolarHBondContact O-N 2.82Å; L71-K75 VanDerWaalsContact O-CB 3.29Å; L71-K75 WeakPolarHBondContact O-CB 3.49Å; L71-K75 PolarHBondContact O-N 3.27Å
72L98.2Very high93.3Very high1 Ų164.3 Ų64.31%0.00533%0.331CS..Hα-helixtrans-67.5-40.5179-67.8174.4000111.7I23 D27 L30 L68 E70 K75 H76 N96 L101I23-L72 HydrophobicContact CG2-CD1 4.17Å; D27-L72 HydrophobicContact CB-CD2 3.85Å; D27-L72 VanDerWaalsContact CG-CD2 3.44Å; L30-L72 HydrophobicContact CD1-CD2 3.54Å; L68-L72 HydrophobicContact CD1-CD1 3.95Å; L68-L72 HydrophobicContact CD1-CD2 4.37Å; L68-L72 HydrophobicContact CD1-CG 3.85Å; L68-L72 HydrophobicContact CG-CD1 3.89Å; L68-L72 HydrophobicContact CG-CG 4.26Å; L68-L72 WeakPolarHBondContact O-CG 3.21Å; L68-L72 PolarHBondContact O-N 3.07Å; E70-L72 VanDerWaalsContact C-N 3.3Å; E70-L72 PolarHBondContact O-N 3.31Å; L72-K75 PolarHBondContact O-N 2.6Å; L72-H76 PolarHBondContact O-CD2 3.42Å; L72-H76 PolarHBondContact O-N 2.88Å; L72-N96 HydrophobicContact CD1-CB 3.8Å; L72-N96 WeakPolarHBondContact CD1-O 3.48Å; L72-L101 HydrophobicContact CB-CD1 4.4Å
73W98.3Very high94.5Very high23 Ų2357.3 Ų57.39%0.08732%0.315CS..Hα-helixtrans-59.9-51.5175.6-174.4-83.1000111.4H69 E70 K75 H76 R77 G78 V86 L101 L103H69-W73 VanDerWaalsContact O-CB 3.3Å; H69-W73 WeakPolarHBondContact O-CB 3.45Å; H69-W73 PolarHBondContact O-N 2.86Å; E70-W73 PolarHBondContact O-N 3.16Å; W73-K75 VanDerWaalsContact C-N 3.3Å; W73-K75 PolarHBondContact O-N 2.86Å; W73-H76 PolarHBondContact O-N 2.91Å; W73-R77 HydrophobicContact CD2-CB 4.04Å; W73-R77 HydrophobicContact CG-CB 4.35Å; W73-R77 HydrophobicContact CZ2-CB 3.86Å; W73-R77 HydrophobicContact CZ2-CG 4.34Å; W73-R77 WeakPolarHBondContact O-CA 3.27Å; W73-R77 WeakPolarHBondContact O-CB 3.02Å; W73-R77 PolarHBondContact O-N 3Å; W73-G78 PolarHBondContact O-N 3.5Å; W73-V86 HydrophobicContact CB-CG1 4.24Å; W73-V86 HydrophobicContact CB-CG2 3.74Å; W73-V86 HydrophobicContact CD2-CG1 4.3Å; W73-V86 HydrophobicContact CD2-CG2 3.76Å; W73-V86 HydrophobicContact CE3-CG1 3.88Å; W73-V86 HydrophobicContact CE3-CG2 4.15Å; W73-V86 HydrophobicContact CG-CG1 4.44Å; W73-V86 HydrophobicContact CG-CG2 3.5Å; W73-L101 HydrophobicContact CE3-CB 3.91Å; W73-L101 HydrophobicContact CZ3-CB 4.15Å; W73-L101 WeakPolarHBondContact CZ3-O 3.27Å; W73-L103 HydrophobicContact CH2-CB 3.68Å; W73-L103 VanDerWaalsContact CH2-N 3.27Å; W73-L103 HydrophobicContact CZ2-CB 3.33Å; W73-L103 HydrophobicContact CZ2-CD2 4.34Å; W73-L103 HydrophobicContact CZ2-CG 4.35Å; W73-L103 HydrophobicContact CZ3-CB 4.39Å
74E97.6Very high95.6Very high69 Ų6951 Ų5132%0.32229%0.294SS..Hα-helixtrans-62.2-40-178.5-72.1-178.1165.400112.6R66 E70 H76 G78 I80R66-E74 IonicContact CZ-OE2 3.55Å; R66-E74 IonicContact NH1-OE2 3.66Å; R66-E74 PolarHBondContact NH1-OE2 2.89Å; R66-E74 IonicContact NH2-OE1 2.85Å; R66-E74 PolarHBondContact NH2-OE1 3.34Å; R66-E74 IonicContact NH2-OE2 3.68Å; R66-E74 PolarHBondContact NH2-OE2 3.47Å; E70-E74 WeakPolarHBondContact O-CG 3.16Å; E70-E74 PolarHBondContact O-N 3.27Å; E74-H76 VanDerWaalsContact C-N 3.3Å; E74-H76 PolarHBondContact O-N 3.05Å; E74-G78 WeakPolarHBondContact CA-O 3.33Å; E74-G78 PolarHBondContact O-N 3.44Å; E74-I80 HydrophobicContact CG-CD1 3.93Å; E74-I80 HydrophobicContact CG-CG1 4Å
75K96.9Very high96.4Very high107 Ų10752.5 Ų52.547%0.46530%0.296SS..Hα-helixtrans-59.3-39.1176.9-179-179.2175.6-167.80112.6D27 L71 L72 W73D27-K75 IonicContact OD1-NZ 3.82Å; D27-K75 PolarHBondContact OD1-NZ 2.72Å; L71-K75 VanDerWaalsContact O-CB 3.29Å; L71-K75 WeakPolarHBondContact O-CB 3.49Å; L71-K75 PolarHBondContact O-N 3.27Å; L72-K75 PolarHBondContact O-N 2.6Å; W73-K75 VanDerWaalsContact C-N 3.3Å; W73-K75 PolarHBondContact O-N 2.86Å
76H97.9Very high96.8Very high64 Ų6451.5 Ų51.530%0.29629%0.285SS..Hα-helixtrans-109.2-27-169.4-65.6-64000115.2Q26 D27 L72 W73 E74 L98Q26-H76 PolarHBondContact NE2-CE1 2.78Å; Q26-H76 PolarHBondContact NE2-NE2 3.49Å; D27-H76 IonicContact OD1-CD2 2.72Å; D27-H76 IonicContact OD1-CE1 3.95Å; D27-H76 PolarHBondContact OD1-CE1 3.42Å; D27-H76 IonicContact OD1-NE2 3.35Å; D27-H76 PolarHBondContact OD1-NE2 2.59Å; D27-H76 IonicContact OD2-CD2 2.67Å; D27-H76 IonicContact OD2-CE1 3.44Å; D27-H76 IonicContact OD2-NE2 2.77Å; D27-H76 PolarHBondContact OD2-NE2 3.12Å; L72-H76 PolarHBondContact O-CD2 3.42Å; L72-H76 PolarHBondContact O-N 2.88Å; W73-H76 PolarHBondContact O-N 2.91Å; E74-H76 VanDerWaalsContact C-N 3.3Å; E74-H76 PolarHBondContact O-N 3.05Å; H76-L98 HydrophobicContact CB-CD1 4.08Å; H76-L98 HydrophobicContact CB-CD2 3.64Å
77R97.1Very high96.8Very high119 Ų11949.5 Ų49.545%0.44928%0.281SS..Hα-helixtrans-1260.9-171.9-65.4-172.9176.3169.36.7113.6W73 L98 L101W73-R77 HydrophobicContact CD2-CB 4.04Å; W73-R77 HydrophobicContact CG-CB 4.35Å; W73-R77 HydrophobicContact CZ2-CB 3.86Å; W73-R77 HydrophobicContact CZ2-CG 4.34Å; W73-R77 WeakPolarHBondContact O-CA 3.27Å; W73-R77 WeakPolarHBondContact O-CB 3.02Å; W73-R77 PolarHBondContact O-N 3Å; R77-L98 HydrophobicContact CG-CD1 4.4Å; R77-L98 PolarHBondContact NH2-O 3.3Å; R77-L101 PolarHBondContact NH1-O 3.32Å; R77-L101 VanDerWaalsContact NH1-O 3.1Å
78G95.8Very high96.7Very high33 Ų3349.2 Ų49.234%0.3428%0.278SS..  trans88.2-177.1175.300000114.3W73 E74W73-G78 PolarHBondContact O-N 3.5Å; E74-G78 WeakPolarHBondContact CA-O 3.33Å; E74-G78 PolarHBondContact O-N 3.44Å
79G95.6Very high96.4Very high66 Ų6652.6 Ų52.668%0.6830%0.295SS*.  trans-60.8152.3-169.400000115.3
80I97.3Very high96Very high36 Ų3653.4 Ų53.419%0.18530%0.3CS..  trans-99.1113.8174.5-59.6165.5000107.8E70 E74 F84 V86 L103E70-I80 HydrophobicContact CB-CD1 3.78Å; E70-I80 HydrophobicContact CG-CD1 3.85Å; E74-I80 HydrophobicContact CG-CD1 3.93Å; E74-I80 HydrophobicContact CG-CG1 4Å; I80-F84 HydrophobicContact CG2-CB 4.42Å; I80-F84 WeakPolarHBondContact CG2-O 3.21Å; I80-V86 HydrophobicContact CD1-CG2 3.59Å; I80-V86 HydrophobicContact CG1-CG2 3.99Å; I80-L103 HydrophobicContact CB-CD1 4.44Å; I80-L103 HydrophobicContact CG1-CD1 4.15Å; I80-L103 HydrophobicContact CG2-CD1 3.95Å
81A96.7Very high95.5Very high47 Ų4753.3 Ų53.339%0.38831%0.305SS..  trans-69.9150.8177.300000111.2S83 F84A81-S83 PolarHBondContact O-N 3.27Å; A81-F84 HydrophobicContact CB-CD2 3.84Å; A81-F84 HydrophobicContact CB-CE2 4.45Å; A81-F84 PolarHBondContact O-N 2.67Å
82P95.2Very high95.2Very high127 Ų12752.5 Ų52.583%0.82530%0.301SS*.THydrogen-bonded Turntrans-57.4-21.5-174.3-27.835.1000115.9F84 L106P82-F84 VanDerWaalsContact C-N 3.34Å; P82-L106 WeakPolarHBondContact O-CD1 3.45Å
83S96.2Very high95Very high70 Ų7053.2 Ų53.249%0.4931%0.306SS..THydrogen-bonded Turntrans-9210.6177.162.80000113.7A81 L106A81-S83 PolarHBondContact O-N 3.27Å; S83-L106 PolarHBondContact O-N 3.11Å
84F96.9Very high94.8Very high80 Ų8052.3 Ų52.335%0.35130%0.303SS..EExtended strand (participates in β ladder)trans-130160-176.5-69.1-100.3000111.4I80 A81 P82 L103 V104 P105I80-F84 HydrophobicContact CG2-CB 4.42Å; I80-F84 WeakPolarHBondContact CG2-O 3.21Å; A81-F84 HydrophobicContact CB-CD2 3.84Å; A81-F84 HydrophobicContact CB-CE2 4.45Å; A81-F84 PolarHBondContact O-N 2.67Å; P82-F84 VanDerWaalsContact C-N 3.34Å; F84-L103 HydrophobicContact CB-CD1 3.78Å; F84-L103 HydrophobicContact CB-CD2 4.46Å; F84-L103 HydrophobicContact CB-CG 4.05Å; F84-L103 HydrophobicContact CD1-CD2 4.22Å; F84-L103 HydrophobicContact CD1-CG 4Å; F84-L103 HydrophobicContact CG-CD2 4.49Å; F84-L103 HydrophobicContact CG-CG 4.37Å; F84-V104 CarbonylContact C-O 3.6Å; F84-V104 VanDerWaalsContact CA-O 3.27Å; F84-V104 WeakPolarHBondContact CA-O 3.2Å; F84-V104 WeakPolarHBondContact CD1-O 3.38Å; F84-P105 HydrophobicContact CE1-CG 4.24Å
85Q95.6Very high94.7Very high57 Ų5749 Ų4927%0.26629%0.288SS..EExtended strand (participates in β ladder)trans-144158176.757.9179.5-26.700109.9V87 L103 V104 P105 L106Q85-V87 HydrophobicContact CG-CG1 4.26Å; Q85-L103 CarbonylContact O-C 3.47Å; Q85-L103 WeakPolarHBondContact O-CA 3.37Å; Q85-V104 HydrophobicContact CG-CG2 3.71Å; Q85-V104 PolarHBondContact N-O 3.49Å; Q85-V104 PolarHBondContact O-N 2.8Å; Q85-P105 PolarHBondContact NE2-O 3.35Å; Q85-L106 HydrophobicContact CB-CD2 3.86Å; Q85-L106 HydrophobicContact CG-CD2 4.09Å
86V96.6Very high94.7Very high6 Ų644 Ų444%0.03627%0.265CS..EExtended strand (participates in β ladder)trans-100.1131.9175.2178.10000109H69 W73 I80 L101 R102 L103H69-V86 HydrophobicContact CB-CG1 4.39Å; H69-V86 PolarHBondContact CD2-O 2.92Å; H69-V86 PolarHBondContact NE2-O 2.88Å; W73-V86 HydrophobicContact CB-CG1 4.24Å; W73-V86 HydrophobicContact CB-CG2 3.74Å; W73-V86 HydrophobicContact CD2-CG1 4.3Å; W73-V86 HydrophobicContact CD2-CG2 3.76Å; W73-V86 HydrophobicContact CE3-CG1 3.88Å; W73-V86 HydrophobicContact CE3-CG2 4.15Å; W73-V86 HydrophobicContact CG-CG1 4.44Å; W73-V86 HydrophobicContact CG-CG2 3.5Å; I80-V86 HydrophobicContact CD1-CG2 3.59Å; I80-V86 HydrophobicContact CG1-CG2 3.99Å; V86-L101 HydrophobicContact CG1-CB 3.98Å; V86-L101 HydrophobicContact CG1-CD1 4.34Å; V86-L101 HydrophobicContact CG1-CD2 4.3Å; V86-L101 HydrophobicContact CG1-CG 4.43Å; V86-R102 CarbonylContact C-O 3.6Å; V86-R102 WeakPolarHBondContact CA-O 3.48Å; V86-L103 HydrophobicContact CG2-CD1 3.83Å
87V94.9Very high94.7Very high28 Ų2841.4 Ų41.417%0.1725%0.253CS..EExtended strand (participates in β ladder)trans-125.4153.9-178.6-60.50000112Q85 L101 R102 V104 W108Q85-V87 HydrophobicContact CG-CG1 4.26Å; V87-L101 WeakPolarHBondContact O-CA 3.33Å; V87-R102 HydrophobicContact CG2-CB 4.2Å; V87-R102 WeakPolarHBondContact CG2-O 3.45Å; V87-R102 PolarHBondContact N-O 3Å; V87-R102 PolarHBondContact O-N 2.98Å; V87-V104 HydrophobicContact CB-CG2 4.4Å; V87-V104 HydrophobicContact CG1-CG2 3.63Å; V87-V104 HydrophobicContact CG2-CG1 3.89Å; V87-V104 HydrophobicContact CG2-CG2 3.86Å; V87-W108 HydrophobicContact CG2-CE3 4.45Å; V87-W108 HydrophobicContact CG2-CZ3 4.21Å
88H93.7Very high94.6Very high14 Ų1437 Ų377%0.06524%0.238CC..EExtended strand (participates in β ladder)trans-87.4116.7173.1-55.680.3000110.8H69 N90 S91 V92 T93 D95 N96 N100H69-H88 AromaticContact CG-CE1 3.66Å; H69-H88 AromaticContact ND1-CE1 3.79Å; H88-N90 VanDerWaalsContact C-N 3.33Å; H88-N90 PolarHBondContact O-N 3.24Å; H88-S91 PolarHBondContact O-N 3.13Å; H88-S91 VanDerWaalsContact O-N 3.1Å; H88-V92 PolarHBondContact CD2-O 3.39Å; H88-T93 PolarHBondContact CE1-O 3.05Å; H88-T93 PolarHBondContact NE2-O 3.17Å; H88-D95 PolarHBondContact CD2-O 3.38Å; H88-D95 VanDerWaalsContact CD2-O 3.29Å; H88-N96 PolarHBondContact NE2-OD1 2.89Å; H88-N100 CarbonylContact C-O 3.45Å; H88-N100 WeakPolarHBondContact CA-O 3.33Å
89I91.4Very high94.6Very high70 Ų7040 Ų4036%0.35925%0.247SC..THydrogen-bonded Turntrans-62.8-40.6-175.1-60.6165.2000110.9S91 N100 R102 I115I89-S91 PolarHBondContact O-N 2.83Å; I89-N100 WeakPolarHBondContact CG1-O 3.41Å; I89-N100 PolarHBondContact N-O 3.36Å; I89-N100 PolarHBondContact N-OD1 3.15Å; I89-R102 HydrophobicContact CD1-CB 4.15Å; I89-R102 HydrophobicContact CG1-CB 3.93Å; I89-I115 WeakPolarHBondContact O-CD1 3.35Å
90N88.7Confident94.6Very high30 Ų3037.3 Ų37.316%0.1622%0.216CC..THydrogen-bonded Turntrans-802.9179.170.93.5000114.5H88 V92 D95 N100H88-N90 VanDerWaalsContact C-N 3.33Å; H88-N90 PolarHBondContact O-N 3.24Å; N90-V92 PolarHBondContact O-N 3.42Å; N90-V92 VanDerWaalsContact O-N 3.15Å; N90-V92 WeakPolarHBondContact OD1-CA 3.25Å; N90-V92 WeakPolarHBondContact OD1-CB 3.39Å; N90-V92 PolarHBondContact OD1-N 3.39Å; N90-V92 PolarHBondContact OD1-O 3.2Å; N90-D95 PolarHBondContact ND2-OD2 3.44Å; N90-N100 WeakPolarHBondContact CB-OD1 3.2Å; N90-N100 VanDerWaalsContact CG-CG 3.44Å; N90-N100 PolarHBondContact N-OD1 2.95Å; N90-N100 PolarHBondContact ND2-ND2 2.6Å; N90-N100 PolarHBondContact ND2-OD1 2.9Å; N90-N100 PolarHBondContact OD1-ND2 3.22Å; N90-N100 PolarHBondContact OD1-OD1 2.75Å
91S88.1Confident94.6Very high54 Ų5435.7 Ų35.738%0.37821%0.208SC..SBendtrans59.613.5-174.3-580000116H88 I89 I115H88-S91 PolarHBondContact O-N 3.13Å; H88-S91 VanDerWaalsContact O-N 3.1Å; I89-S91 PolarHBondContact O-N 2.83Å; S91-I115 VanDerWaalsContact OG-CD1 3.25Å; S91-I115 WeakPolarHBondContact OG-CD1 3.05Å
92V90.7Very high94.5Very high1 Ų138.9 Ų38.91%0.00621%0.21CC..  trans-96.696.9170.7-175.90000108H88 N90 V94 D95 R120 Y125H88-V92 PolarHBondContact CD2-O 3.39Å; N90-V92 PolarHBondContact O-N 3.42Å; N90-V92 VanDerWaalsContact O-N 3.15Å; N90-V92 WeakPolarHBondContact OD1-CA 3.25Å; N90-V92 WeakPolarHBondContact OD1-CB 3.39Å; N90-V92 PolarHBondContact OD1-N 3.39Å; N90-V92 PolarHBondContact OD1-O 3.2Å; V92-V94 HydrophobicContact CG1-CG2 3.78Å; V92-V94 PolarHBondContact O-N 3.31Å; V92-D95 HydrophobicContact CB-CB 4.1Å; V92-D95 HydrophobicContact CG1-CB 4.07Å; V92-D95 PolarHBondContact O-N 3.31Å; V92-R120 HydrophobicContact CG2-CG 4.37Å; V92-Y125 HydrophobicContact CG1-CD1 3.78Å; V92-Y125 HydrophobicContact CG1-CD2 4.12Å; V92-Y125 HydrophobicContact CG1-CE1 4.39Å; V92-Y125 HydrophobicContact CG1-CG 3.65Å
93T93.3Very high94.6Very high17 Ų1735.5 Ų35.510%0.10419%0.185CC..THydrogen-bonded Turntrans-67.5-5-172.345.20000115.6K50 I51 F52 H88K50-T93 HydrophobicContact CB-CG2 4.32Å; K50-T93 HydrophobicContact CD-CG2 4.02Å; I51-T93 VanDerWaalsContact O-CB 3.28Å; I51-T93 WeakPolarHBondContact O-CB 3.25Å; I51-T93 PolarHBondContact O-OG1 3.31Å; F52-T93 HydrophobicContact CD1-CG2 4.03Å; F52-T93 HydrophobicContact CE1-CG2 3.4Å; F52-T93 VanDerWaalsContact CE1-CG2 3.4Å; F52-T93 HydrophobicContact CE2-CG2 4.31Å; F52-T93 HydrophobicContact CZ-CG2 3.58Å; H88-T93 PolarHBondContact CE1-O 3.05Å; H88-T93 PolarHBondContact NE2-O 3.17Å
94V94.3Very high94.6Very high4 Ų432.6 Ų32.62%0.02416%0.164CC..THydrogen-bonded Turntrans-107.9-0.4174.2-68.60000112.7L11 Y20 T21 L22 I51 V92 N96 Y125L11-V94 HydrophobicContact CD1-CG1 4.1Å; Y20-V94 WeakPolarHBondContact O-CB 3.32Å; T21-V94 CarbonylContact C-O 3.53Å; T21-V94 WeakPolarHBondContact CA-O 3.4Å; T21-V94 WeakPolarHBondContact CB-O 3.38Å; T21-V94 PolarHBondContact OG1-O 3.13Å; L22-V94 PolarHBondContact N-O 3.1Å; I51-V94 HydrophobicContact CG2-CG1 4.26Å; I51-V94 WeakPolarHBondContact O-CG1 3.29Å; V92-V94 HydrophobicContact CG1-CG2 3.78Å; V92-V94 PolarHBondContact O-N 3.31Å; V94-N96 PolarHBondContact O-N 3.47Å; V94-N96 PolarHBondContact O-ND2 3.39Å; V94-Y125 HydrophobicContact CB-CE2 4.02Å; V94-Y125 HydrophobicContact CG2-CD2 3.78Å; V94-Y125 HydrophobicContact CG2-CE1 4.07Å; V94-Y125 HydrophobicContact CG2-CE2 3.23Å; V94-Y125 HydrophobicContact CG2-CG 4.44Å
95D95.8Very high94.6Very high0 Ų032 Ų320%017%0.169CC..BIsolated β-bridgetrans-89.983.3171-174.62.9000109.5H88 N90 V92 R97 N100H88-D95 PolarHBondContact CD2-O 3.38Å; H88-D95 VanDerWaalsContact CD2-O 3.29Å; N90-D95 PolarHBondContact ND2-OD2 3.44Å; V92-D95 HydrophobicContact CB-CB 4.1Å; V92-D95 HydrophobicContact CG1-CB 4.07Å; V92-D95 PolarHBondContact O-N 3.31Å; D95-R97 VanDerWaalsContact C-N 3.26Å; D95-R97 PolarHBondContact O-N 3.34Å; D95-R97 WeakPolarHBondContact OD1-CG 3.28Å; D95-R97 IonicContact OD1-CZ 3.1Å; D95-R97 IonicContact OD1-NE 2.87Å; D95-R97 PolarHBondContact OD1-NE 2.62Å; D95-R97 IonicContact OD1-NH2 3.78Å; D95-R97 IonicContact OD2-CZ 3.3Å; D95-R97 IonicContact OD2-NE 3.79Å; D95-R97 IonicContact OD2-NH2 3.43Å; D95-R97 PolarHBondContact OD2-NH2 2.77Å; D95-N100 PolarHBondContact O-ND2 2.58Å
96N97.6Very high94.4Very high0 Ų034 Ų340%018%0.181CC..  trans-89.420.4-172.4-66.9-73.6000113.6T21 L22 I23 L68 H69 L72 H88 V94T21-N96 PolarHBondContact OG1-ND2 3.37Å; L22-N96 CarbonylContact O-C 3.58Å; L22-N96 WeakPolarHBondContact O-CA 3.45Å; L22-N96 WeakPolarHBondContact O-CB 3.22Å; L22-N96 PolarHBondContact O-N 2.74Å; I23-N96 HydrophobicContact CG2-CB 4.43Å; L68-N96 HydrophobicContact CD2-CB 4.15Å; L68-N96 HydrophobicContact CG-CB 4.22Å; H69-N96 VanDerWaalsContact CB-OD1 3.3Å; H69-N96 WeakPolarHBondContact CB-OD1 3.41Å; H69-N96 PolarHBondContact N-OD1 3.08Å; L72-N96 HydrophobicContact CD1-CB 3.8Å; L72-N96 WeakPolarHBondContact CD1-O 3.48Å; H88-N96 PolarHBondContact NE2-OD1 2.89Å; V94-N96 PolarHBondContact O-N 3.47Å; V94-N96 PolarHBondContact O-ND2 3.39Å
97R97Very high93.8Very high11 Ų1137.3 Ų37.34%0.04222%0.216CC..  trans-63139.6170.5-62.3179.2-58.7114.89.7110.4L22 D95 D99 N100 L101 L124L22-R97 HydrophobicContact CB-CG 4.03Å; D95-R97 VanDerWaalsContact C-N 3.26Å; D95-R97 PolarHBondContact O-N 3.34Å; D95-R97 WeakPolarHBondContact OD1-CG 3.28Å; D95-R97 IonicContact OD1-CZ 3.1Å; D95-R97 IonicContact OD1-NE 2.87Å; D95-R97 PolarHBondContact OD1-NE 2.62Å; D95-R97 IonicContact OD1-NH2 3.78Å; D95-R97 IonicContact OD2-CZ 3.3Å; D95-R97 IonicContact OD2-NE 3.79Å; D95-R97 IonicContact OD2-NH2 3.43Å; D95-R97 PolarHBondContact OD2-NH2 2.77Å; R97-D99 WeakPolarHBondContact CB-OD1 3.36Å; R97-D99 IonicContact CZ-OD1 2.84Å; R97-D99 IonicContact CZ-OD2 3.67Å; R97-D99 IonicContact NH1-OD1 3.93Å; R97-D99 PolarHBondContact NH1-OD1 3.09Å; R97-D99 VanDerWaalsContact NH1-OD1 3.1Å; R97-D99 IonicContact NH1-OD2 2.77Å; R97-D99 PolarHBondContact NH1-OD2 3.05Å; R97-D99 IonicContact NH2-OD1 3.77Å; R97-D99 PolarHBondContact O-N 2.81Å; R97-N100 WeakPolarHBondContact O-CA 3.34Å; R97-N100 WeakPolarHBondContact O-CB 3.48Å; R97-N100 PolarHBondContact O-N 2.76Å; R97-L101 PolarHBondContact O-N 2.89Å; R97-L124 VanDerWaalsContact CZ-CD1 3.42Å
98L96.5Very high93.4Very high26 Ų2641 Ų4114%0.13623%0.226CC..G310 helixtrans-65.8-27.6-170.5-169.265.2000112.8D24 H76 R77 N100 L101D24-L98 VanDerWaalsContact OD2-CB 3.27Å; D24-L98 WeakPolarHBondContact OD2-CB 3.3Å; D24-L98 PolarHBondContact OD2-N 2.79Å; H76-L98 HydrophobicContact CB-CD1 4.08Å; H76-L98 HydrophobicContact CB-CD2 3.64Å; R77-L98 HydrophobicContact CG-CD1 4.4Å; R77-L98 PolarHBondContact NH2-O 3.3Å; L98-N100 VanDerWaalsContact C-N 3.26Å; L98-N100 PolarHBondContact O-N 2.91Å; L98-L101 PolarHBondContact O-N 2.83Å
99D94.9Very high92.5Very high96 Ų9644.4 Ų44.451%0.51325%0.252SS..G310 helixtrans-68.3-24.8172.969.7-22.7000112.9R97R97-D99 WeakPolarHBondContact CB-OD1 3.36Å; R97-D99 IonicContact CZ-OD1 2.84Å; R97-D99 IonicContact CZ-OD2 3.67Å; R97-D99 IonicContact NH1-OD1 3.93Å; R97-D99 PolarHBondContact NH1-OD1 3.09Å; R97-D99 VanDerWaalsContact NH1-OD1 3.1Å; R97-D99 IonicContact NH1-OD2 2.77Å; R97-D99 PolarHBondContact NH1-OD2 3.05Å; R97-D99 IonicContact NH2-OD1 3.77Å; R97-D99 PolarHBondContact O-N 2.81Å
100N94.8Very high91.4Very high9 Ų944.9 Ų44.95%0.04826%0.26CS..G310 helixtrans-88.9-8.5176.9-17045000113.2H88 I89 N90 D95 R97 L98H88-N100 CarbonylContact C-O 3.45Å; H88-N100 WeakPolarHBondContact CA-O 3.33Å; I89-N100 WeakPolarHBondContact CG1-O 3.41Å; I89-N100 PolarHBondContact N-O 3.36Å; I89-N100 PolarHBondContact N-OD1 3.15Å; N90-N100 WeakPolarHBondContact CB-OD1 3.2Å; N90-N100 VanDerWaalsContact CG-CG 3.44Å; N90-N100 PolarHBondContact N-OD1 2.95Å; N90-N100 PolarHBondContact ND2-ND2 2.6Å; N90-N100 PolarHBondContact ND2-OD1 2.9Å; N90-N100 PolarHBondContact OD1-ND2 3.22Å; N90-N100 PolarHBondContact OD1-OD1 2.75Å; D95-N100 PolarHBondContact O-ND2 2.58Å; R97-N100 WeakPolarHBondContact O-CA 3.34Å; R97-N100 WeakPolarHBondContact O-CB 3.48Å; R97-N100 PolarHBondContact O-N 2.76Å; L98-N100 VanDerWaalsContact C-N 3.26Å; L98-N100 PolarHBondContact O-N 2.91Å
101L96.8Very high90Very high2 Ų252.5 Ų52.51%0.0129%0.291CS..EExtended strand (participates in β ladder)trans-95.7144.1-179.5-58.1-176.2000112.2H69 L72 W73 R77 V86 V87 R97 L98H69-L101 HydrophobicContact CB-CD1 3.98Å; H69-L101 HydrophobicContact CB-CD2 3.73Å; H69-L101 WeakPolarHBondContact O-CD1 3.45Å; L72-L101 HydrophobicContact CB-CD1 4.4Å; W73-L101 HydrophobicContact CE3-CB 3.91Å; W73-L101 HydrophobicContact CZ3-CB 4.15Å; W73-L101 WeakPolarHBondContact CZ3-O 3.27Å; R77-L101 PolarHBondContact NH1-O 3.32Å; R77-L101 VanDerWaalsContact NH1-O 3.1Å; V86-L101 HydrophobicContact CG1-CB 3.98Å; V86-L101 HydrophobicContact CG1-CD1 4.34Å; V86-L101 HydrophobicContact CG1-CD2 4.3Å; V86-L101 HydrophobicContact CG1-CG 4.43Å; V87-L101 WeakPolarHBondContact O-CA 3.33Å; R97-L101 PolarHBondContact O-N 2.89Å; L98-L101 PolarHBondContact O-N 2.83Å
102R96.4Very high87.9Confident115 Ų11555.4 Ų55.443%0.43431%0.312SS..EExtended strand (participates in β ladder)trans-142.4133175.3-173.6178.9-66173.7-0.2111.8V86 V87 I89 V104V86-R102 CarbonylContact C-O 3.6Å; V86-R102 WeakPolarHBondContact CA-O 3.48Å; V87-R102 HydrophobicContact CG2-CB 4.2Å; V87-R102 WeakPolarHBondContact CG2-O 3.45Å; V87-R102 PolarHBondContact N-O 3Å; V87-R102 PolarHBondContact O-N 2.98Å; I89-R102 HydrophobicContact CD1-CB 4.15Å; I89-R102 HydrophobicContact CG1-CB 3.93Å; R102-V104 HydrophobicContact CG-CG1 3.88Å
103L97.1Very high85.8Confident56 Ų5663.3 Ų63.329%0.29335%0.349SS..EExtended strand (participates in β ladder)trans-80.1127.1167.8-171.274.7000109.9W73 I80 F84 Q85 V86W73-L103 HydrophobicContact CH2-CB 3.68Å; W73-L103 VanDerWaalsContact CH2-N 3.27Å; W73-L103 HydrophobicContact CZ2-CB 3.33Å; W73-L103 HydrophobicContact CZ2-CD2 4.34Å; W73-L103 HydrophobicContact CZ2-CG 4.35Å; W73-L103 HydrophobicContact CZ3-CB 4.39Å; I80-L103 HydrophobicContact CB-CD1 4.44Å; I80-L103 HydrophobicContact CG1-CD1 4.15Å; I80-L103 HydrophobicContact CG2-CD1 3.95Å; F84-L103 HydrophobicContact CB-CD1 3.78Å; F84-L103 HydrophobicContact CB-CD2 4.46Å; F84-L103 HydrophobicContact CB-CG 4.05Å; F84-L103 HydrophobicContact CD1-CD2 4.22Å; F84-L103 HydrophobicContact CD1-CG 4Å; F84-L103 HydrophobicContact CG-CD2 4.49Å; F84-L103 HydrophobicContact CG-CG 4.37Å; Q85-L103 CarbonylContact O-C 3.47Å; Q85-L103 WeakPolarHBondContact O-CA 3.37Å; V86-L103 HydrophobicContact CG2-CD1 3.83Å
104V95.9Very high83.7Confident8 Ų871 Ų715%0.04838%0.383CS..EExtended strand (participates in β ladder)trans-135.7157.6-179.2-61.90000110F84 Q85 V87 R102 W108F84-V104 CarbonylContact C-O 3.6Å; F84-V104 VanDerWaalsContact CA-O 3.27Å; F84-V104 WeakPolarHBondContact CA-O 3.2Å; F84-V104 WeakPolarHBondContact CD1-O 3.38Å; Q85-V104 HydrophobicContact CG-CG2 3.71Å; Q85-V104 PolarHBondContact N-O 3.49Å; Q85-V104 PolarHBondContact O-N 2.8Å; V87-V104 HydrophobicContact CB-CG2 4.4Å; V87-V104 HydrophobicContact CG1-CG2 3.63Å; V87-V104 HydrophobicContact CG2-CG1 3.89Å; V87-V104 HydrophobicContact CG2-CG2 3.86Å; R102-V104 HydrophobicContact CG-CG1 3.88Å; V104-W108 HydrophobicContact CB-CB 3.9Å; V104-W108 HydrophobicContact CB-CD2 4.07Å; V104-W108 HydrophobicContact CB-CE3 4.26Å; V104-W108 HydrophobicContact CB-CG 3.92Å; V104-W108 HydrophobicContact CG1-CD2 4.01Å; V104-W108 HydrophobicContact CG1-CE3 4.06Å; V104-W108 HydrophobicContact CG1-CG 4.32Å; V104-W108 HydrophobicContact CG2-CB 3.86Å; V104-W108 HydrophobicContact CG2-CD2 4.23Å; V104-W108 HydrophobicContact CG2-CE3 4.01Å; V104-W108 HydrophobicContact CG2-CG 4.2Å
105P96.5Very high81.9Confident69 Ų6973 Ų7345%0.44839%0.393SS..EExtended strand (participates in β ladder)trans-56.7148.8170.8-24.334.9000112F84 Q85 W108F84-P105 HydrophobicContact CE1-CG 4.24Å; Q85-P105 PolarHBondContact NE2-O 3.35Å; P105-W108 WeakPolarHBondContact O-CB 3.28Å; P105-W108 PolarHBondContact O-N 3.14Å; P105-W108 VanDerWaalsContact O-N 3.1Å
106L92.4Very high80.3Confident99 Ų9975.4 Ų75.452%0.51841%0.41SS..THydrogen-bonded Turntrans-57.2141.7170-80.3176.5000110.7P82 S83 Q85 W108P82-L106 WeakPolarHBondContact O-CD1 3.45Å; S83-L106 PolarHBondContact O-N 3.11Å; Q85-L106 HydrophobicContact CB-CD2 3.86Å; Q85-L106 HydrophobicContact CG-CD2 4.09Å; L106-W108 PolarHBondContact O-N 2.55Å
107G83.6Confident78.7Confident75 Ų7579.1 Ų79.177%0.77344%0.436SS*.THydrogen-bonded Turntrans743.5-175.300000114.5S109G107-S109 PolarHBondContact O-N 2.94Å; G107-S109 VanDerWaalsContact O-N 3.13Å
108W86.8Confident77.1Confident104 Ų10485.5 Ų85.539%0.39446%0.464SS..PPolyproline II helixtrans-62.6116.9170.9-176.787.1000110.2V87 V104 P105 L106 P110V87-W108 HydrophobicContact CG2-CE3 4.45Å; V87-W108 HydrophobicContact CG2-CZ3 4.21Å; V104-W108 HydrophobicContact CB-CB 3.9Å; V104-W108 HydrophobicContact CB-CD2 4.07Å; V104-W108 HydrophobicContact CB-CE3 4.26Å; V104-W108 HydrophobicContact CB-CG 3.92Å; V104-W108 HydrophobicContact CG1-CD2 4.01Å; V104-W108 HydrophobicContact CG1-CE3 4.06Å; V104-W108 HydrophobicContact CG1-CG 4.32Å; V104-W108 HydrophobicContact CG2-CB 3.86Å; V104-W108 HydrophobicContact CG2-CD2 4.23Å; V104-W108 HydrophobicContact CG2-CE3 4.01Å; V104-W108 HydrophobicContact CG2-CG 4.2Å; P105-W108 WeakPolarHBondContact O-CB 3.28Å; P105-W108 PolarHBondContact O-N 3.14Å; P105-W108 VanDerWaalsContact O-N 3.1Å; L106-W108 PolarHBondContact O-N 2.55Å; W108-P110 VanDerWaalsContact CH2-CA 3.5Å; W108-P110 HydrophobicContact CH2-CB 3.8Å; W108-P110 HydrophobicContact CH2-CG 4.43Å; W108-P110 HydrophobicContact CZ3-CB 4.02Å; W108-P110 HydrophobicContact CZ3-CG 4.15Å
109S73.1Confident75.8Confident87 Ų8790 Ų9061%0.60848%0.484SS*.PPolyproline II helixtrans-97139.8165.962.60000109.3G107 K111G107-S109 PolarHBondContact O-N 2.94Å; G107-S109 VanDerWaalsContact O-N 3.13Å; S109-K111 PolarHBondContact O-N 3.1Å
110P69.1Low74.7Confident79 Ų7987.9 Ų87.951%0.51347%0.469SS..PPolyproline II helixtrans-54.3135.7165.49.1-9.3000109W108 S112W108-P110 VanDerWaalsContact CH2-CA 3.5Å; W108-P110 HydrophobicContact CH2-CB 3.8Å; W108-P110 HydrophobicContact CH2-CG 4.43Å; W108-P110 HydrophobicContact CZ3-CB 4.02Å; W108-P110 HydrophobicContact CZ3-CG 4.15Å; P110-S112 PolarHBondContact O-N 2.98Å
111K58.6Low73.6Confident190 Ų19088.9 Ų88.983%0.82647%0.474SS*.PPolyproline II helixtrans-54.2134.5164.3-67.2-174.5179.6-1780106S109 E113S109-K111 PolarHBondContact O-N 3.1Å; K111-E113 PolarHBondContact O-N 2.96Å
112S45.2Very low72.7Confident115 Ų11595.8 Ų95.880%0.80451%0.506SS*.SBendtrans-59.367.1-176176.30000112.6P110P110-S112 PolarHBondContact O-N 2.98Å
113E45.5Very low72.3Confident168 Ų16890.8 Ų90.879%0.78549%0.489SS*.  trans-90.998.6148.2-74.4172.7177.300102.7K111 I115K111-E113 PolarHBondContact O-N 2.96Å; E113-I115 PolarHBondContact O-N 2.86Å
114E50.1Low72Confident177 Ų17791.4 Ų91.483%0.82749%0.492SS*.  trans-48.7103159.2-67.6-176.1159.300105.6S116E114-S116 VanDerWaalsContact C-N 3.27Å; E114-S116 PolarHBondContact O-N 2.88Å
115I55.7Low71.8Confident46 Ų4691.4 Ų91.424%0.23649%0.491CS..  trans-53.1107.3169.6-64.1178.5000103.7I89 S91 E113 S117 Q119I89-I115 WeakPolarHBondContact O-CD1 3.35Å; S91-I115 VanDerWaalsContact OG-CD1 3.25Å; S91-I115 WeakPolarHBondContact OG-CD1 3.05Å; E113-I115 PolarHBondContact O-N 2.86Å; I115-S117 PolarHBondContact O-N 2.87Å; I115-Q119 HydrophobicContact CG2-CB 3.67Å
116S62.5Low71.5Confident51 Ų5188.5 Ų88.536%0.35747%0.471SS..  trans-54.5142.1-169.4175.80000107E114 K118 Q119 R120E114-S116 VanDerWaalsContact C-N 3.27Å; E114-S116 PolarHBondContact O-N 2.88Å; S116-K118 CarbonylContact O-C 3.54Å; S116-K118 PolarHBondContact O-N 3.32Å; S116-K118 PolarHBondContact OG-N 3.34Å; S116-Q119 PolarHBondContact O-N 3.4Å; S116-R120 PolarHBondContact O-N 3.48Å
117S63.2Low71.4Confident78 Ų7888.1 Ų88.155%0.54547%0.469SS..Hα-helixtrans-43.6-35.2172.350.70000111.7I115 R120 E121I115-S117 PolarHBondContact O-N 2.87Å; S117-R120 PolarHBondContact O-N 2.82Å; S117-E121 VanDerWaalsContact O-CG 3.32Å; S117-E121 WeakPolarHBondContact O-CG 3.11Å; S117-E121 PolarHBondContact O-N 2.82Å; S117-E121 VanDerWaalsContact O-N 3.08Å
118K64.1Low71.9Confident145 Ų14585.2 Ų85.263%0.6344%0.438SS*.Hα-helixtrans-60.3-42.4174.1-64.2-173.9178.7-179.40115S116 Q122S116-K118 CarbonylContact O-C 3.54Å; S116-K118 PolarHBondContact O-N 3.32Å; S116-K118 PolarHBondContact OG-N 3.34Å; K118-Q122 WeakPolarHBondContact O-CG 3.27Å; K118-Q122 PolarHBondContact O-N 3.15Å
119Q68.8Low72.1Confident120 Ų12080.8 Ų80.856%0.56142%0.422SS*.Hα-helixtrans-69.9-35.3178.8-75.4175.4-43.300111.2I115 S116 Q122 S123I115-Q119 HydrophobicContact CG2-CB 3.67Å; S116-Q119 PolarHBondContact O-N 3.4Å; Q119-Q122 PolarHBondContact O-N 3.21Å; Q119-S123 PolarHBondContact O-N 3.1Å
120R71.6Confident72.8Confident52 Ų5281.7 Ų81.720%0.19642%0.417CS..Hα-helixtrans-67.9-41.3177.1-167.3179.9-59.1-163.94.5112.3V92 S116 S117 Q122 S123V92-R120 HydrophobicContact CG2-CG 4.37Å; S116-R120 PolarHBondContact O-N 3.48Å; S117-R120 PolarHBondContact O-N 2.82Å; R120-Q122 PolarHBondContact O-N 3.28Å; R120-S123 VanDerWaalsContact O-CB 3.29Å; R120-S123 WeakPolarHBondContact O-CB 3.49Å; R120-S123 PolarHBondContact O-N 3.18Å; R120-S123 PolarHBondContact O-OG 2.85Å
121E72.4Confident73.8Confident30 Ų3085.5 Ų85.514%0.1443%0.428CS..THydrogen-bonded Turntrans-65.4-14.5175.4-72.1178.1-15600114S117 W126 Q199 R203S117-E121 VanDerWaalsContact O-CG 3.32Å; S117-E121 WeakPolarHBondContact O-CG 3.11Å; S117-E121 PolarHBondContact O-N 2.82Å; S117-E121 VanDerWaalsContact O-N 3.08Å; E121-W126 HydrophobicContact CG-CH2 4.18Å; E121-W126 HydrophobicContact CG-CZ2 4.07Å; E121-Q199 PolarHBondContact OE1-NE2 3.49Å; E121-Q199 PolarHBondContact OE1-OE1 3.1Å; E121-Q199 VanDerWaalsContact OE1-OE1 3.09Å; E121-Q199 PolarHBondContact OE2-NE2 3.38Å; E121-R203 IonicContact OE2-CZ 3.21Å; E121-R203 IonicContact OE2-NH1 3.06Å; E121-R203 PolarHBondContact OE2-NH1 3.2Å; E121-R203 IonicContact OE2-NH2 3.72Å; E121-R203 PolarHBondContact OE2-NH2 2.96Å
122Q78.1Confident75.1Confident147 Ų14778.2 Ų78.269%0.68740%0.399SS*.THydrogen-bonded Turntrans-105.66.9175.6-66.2175800112.3K118 Q119 R120K118-Q122 WeakPolarHBondContact O-CG 3.27Å; K118-Q122 PolarHBondContact O-N 3.15Å; Q119-Q122 PolarHBondContact O-N 3.21Å; R120-Q122 PolarHBondContact O-N 3.28Å
123S87.4Confident76.8Confident11 Ų1177.8 Ų77.88%0.07739%0.393CS..SBendtrans-63.3146.5174.865.10000110.6Q119 R120 Y125 W126 L127Q119-S123 PolarHBondContact O-N 3.1Å; R120-S123 VanDerWaalsContact O-CB 3.29Å; R120-S123 WeakPolarHBondContact O-CB 3.49Å; R120-S123 PolarHBondContact O-N 3.18Å; R120-S123 PolarHBondContact O-OG 2.85Å; S123-Y125 PolarHBondContact O-N 2.78Å; S123-W126 WeakPolarHBondContact O-CB 3.37Å; S123-W126 PolarHBondContact O-N 3.42Å; S123-W126 WeakPolarHBondContact OG-CB 3.47Å; S123-W126 PolarHBondContact OG-N 2.94Å; S123-L127 PolarHBondContact O-N 3.44Å
124L90.8Very high77.9Confident68 Ų6873.5 Ų73.536%0.35639%0.386SS..Hα-helixtrans-59.9-34.3175.8-76.6169.7000111.8F4 L22 R97 L127 A128F4-L124 HydrophobicContact CE1-CD1 4.22Å; F4-L124 HydrophobicContact CZ-CD1 4.3Å; L22-L124 HydrophobicContact CD1-CB 4.44Å; R97-L124 VanDerWaalsContact CZ-CD1 3.42Å; L124-L127 PolarHBondContact O-N 3.29Å; L124-A128 VanDerWaalsContact O-CB 3.27Å; L124-A128 WeakPolarHBondContact O-CB 3.48Å; L124-A128 PolarHBondContact O-N 3.06Å
125Y91.8Very high78.7Confident8 Ų866.2 Ų66.23%0.03135%0.353CS..Hα-helixtrans-54.3-53.3170.1-178.5-89.1000111.7Y20 L22 V92 V94 S123 L127 A128 I129Y20-Y125 WeakPolarHBondContact O-CE2 3.48Å; Y20-Y125 PolarHBondContact O-OH 3.29Å; L22-Y125 HydrophobicContact CD2-CD2 4.49Å; L22-Y125 HydrophobicContact CG-CD2 3.95Å; V92-Y125 HydrophobicContact CG1-CD1 3.78Å; V92-Y125 HydrophobicContact CG1-CD2 4.12Å; V92-Y125 HydrophobicContact CG1-CE1 4.39Å; V92-Y125 HydrophobicContact CG1-CG 3.65Å; V94-Y125 HydrophobicContact CB-CE2 4.02Å; V94-Y125 HydrophobicContact CG2-CD2 3.78Å; V94-Y125 HydrophobicContact CG2-CE1 4.07Å; V94-Y125 HydrophobicContact CG2-CE2 3.23Å; V94-Y125 HydrophobicContact CG2-CG 4.44Å; S123-Y125 PolarHBondContact O-N 2.78Å; Y125-L127 VanDerWaalsContact C-N 3.32Å; Y125-L127 PolarHBondContact O-N 3.24Å; Y125-A128 PolarHBondContact O-N 3.31Å; Y125-I129 HydrophobicContact CD1-CG1 4Å; Y125-I129 HydrophobicContact CD2-CG1 4.35Å; Y125-I129 HydrophobicContact CE1-CD1 4.45Å; Y125-I129 HydrophobicContact CE1-CG1 3.53Å; Y125-I129 HydrophobicContact CE2-CD1 3.93Å; Y125-I129 HydrophobicContact CE2-CG1 3.88Å; Y125-I129 HydrophobicContact CG-CG1 4.37Å; Y125-I129 VanDerWaalsContact CZ-CG1 3.44Å; Y125-I129 WeakPolarHBondContact O-CG1 3.45Å; Y125-I129 PolarHBondContact O-N 3.01Å
126W90.6Very high78.7Confident9 Ų968.1 Ų68.13%0.03437%0.369CS..Hα-helixtrans-56.2-47.3-178.9-175.1-81.7000112.3E121 S123 Q130 Y171 P173 C174E121-W126 HydrophobicContact CG-CH2 4.18Å; E121-W126 HydrophobicContact CG-CZ2 4.07Å; S123-W126 WeakPolarHBondContact O-CB 3.37Å; S123-W126 PolarHBondContact O-N 3.42Å; S123-W126 WeakPolarHBondContact OG-CB 3.47Å; S123-W126 PolarHBondContact OG-N 2.94Å; W126-Q130 PolarHBondContact O-N 3.03Å; W126-Y171 AromaticContact CE2-CE1 3.85Å; W126-Y171 AromaticContact CH2-CD1 3.64Å; W126-Y171 HydrophobicContact CH2-CD1 3.64Å; W126-Y171 AromaticContact CH2-CE1 3.86Å; W126-Y171 HydrophobicContact CH2-CE1 3.86Å; W126-Y171 AromaticContact CZ2-CD1 3.54Å; W126-Y171 HydrophobicContact CZ2-CD1 3.54Å; W126-Y171 AromaticContact CZ2-CE1 3.24Å; W126-Y171 HydrophobicContact CZ2-CE1 3.24Å; W126-P173 HydrophobicContact CD2-CB 3.44Å; W126-P173 VanDerWaalsContact CD2-CB 3.44Å; W126-P173 HydrophobicContact CE3-CB 3.76Å; W126-P173 HydrophobicContact CG-CB 3.81Å; W126-P173 HydrophobicContact CH2-CB 4.46Å; W126-P173 HydrophobicContact CZ2-CB 4.2Å; W126-P173 HydrophobicContact CZ3-CB 4.28Å; W126-C174 HydrophobicContact CE3-CB 4.47Å; W126-C174 HydrophobicContact CH2-CB 3.71Å; W126-C174 HydrophobicContact CZ3-CB 3.42Å; W126-C174 VanDerWaalsContact CZ3-CB 3.42Å
127L91.2Very high78.3Confident90 Ų9069.4 Ų69.447%0.47137%0.374SS..Hα-helixtrans-64.7-41.1178.8-66.2173.9000112.1S123 L124 Y125 Q130 Q131S123-L127 PolarHBondContact O-N 3.44Å; L124-L127 PolarHBondContact O-N 3.29Å; Y125-L127 VanDerWaalsContact C-N 3.32Å; Y125-L127 PolarHBondContact O-N 3.24Å; L127-Q130 PolarHBondContact O-N 2.85Å; L127-Q131 WeakPolarHBondContact O-CG 3.33Å
128A92.2Very high77.9Confident14 Ų1469.4 Ų69.412%0.11637%0.366CS..Hα-helixtrans-63.7-47.9179.300000111.6I8 L22 L124 Y125 Q130 Q131 V132I8-A128 HydrophobicContact CD1-CB 3.95Å; L22-A128 HydrophobicContact CD1-CB 4.18Å; L22-A128 HydrophobicContact CD2-CB 3.86Å; L124-A128 VanDerWaalsContact O-CB 3.27Å; L124-A128 WeakPolarHBondContact O-CB 3.48Å; L124-A128 PolarHBondContact O-N 3.06Å; Y125-A128 PolarHBondContact O-N 3.31Å; A128-Q130 VanDerWaalsContact C-N 3.27Å; A128-Q130 PolarHBondContact O-N 3.16Å; A128-Q131 PolarHBondContact O-N 3.24Å; A128-V132 PolarHBondContact O-N 3.05Å
129I91.5Very high77.4Confident11 Ų1169.5 Ų69.56%0.05637%0.368CS..Hα-helixtrans-64-32.8-179.1-59.1-42.5000112I8 Y20 Y125 Q131 V132 P172 P173I8-I129 HydrophobicContact CG2-CD1 4.43Å; Y20-I129 HydrophobicContact CD2-CD1 3.98Å; Y20-I129 HydrophobicContact CG-CD1 4Å; Y125-I129 HydrophobicContact CD1-CG1 4Å; Y125-I129 HydrophobicContact CD2-CG1 4.35Å; Y125-I129 HydrophobicContact CE1-CD1 4.45Å; Y125-I129 HydrophobicContact CE1-CG1 3.53Å; Y125-I129 HydrophobicContact CE2-CD1 3.93Å; Y125-I129 HydrophobicContact CE2-CG1 3.88Å; Y125-I129 HydrophobicContact CG-CG1 4.37Å; Y125-I129 VanDerWaalsContact CZ-CG1 3.44Å; Y125-I129 WeakPolarHBondContact O-CG1 3.45Å; Y125-I129 PolarHBondContact O-N 3.01Å; I129-Q131 PolarHBondContact O-N 3.45Å; I129-V132 HydrophobicContact CD1-CG2 4.38Å; I129-V132 PolarHBondContact O-N 3.44Å; I129-P172 HydrophobicContact CG2-CB 4.38Å; I129-P173 HydrophobicContact CB-CB 4.42Å; I129-P173 HydrophobicContact CB-CG 4.45Å; I129-P173 HydrophobicContact CG2-CG 4.28Å
130Q89.3Confident76.2Confident107 Ų10771.1 Ų71.150%0.538%0.376SS..Hα-helixtrans-62.6-26.2175.7-173.6175.8-18.600113W126 L127 A128 P173W126-Q130 PolarHBondContact O-N 3.03Å; L127-Q130 PolarHBondContact O-N 2.85Å; A128-Q130 VanDerWaalsContact C-N 3.27Å; A128-Q130 PolarHBondContact O-N 3.16Å; Q130-P173 HydrophobicContact CB-CG 4.16Å
131Q88.4Confident75.1Confident159 Ų15974.7 Ų74.774%0.74339%0.39SS*.Hα-helixtrans-92.6-9.8179.4-57-67.212.400113.3L127 A128 I129L127-Q131 WeakPolarHBondContact O-CG 3.33Å; A128-Q131 PolarHBondContact O-N 3.24Å; I129-Q131 PolarHBondContact O-N 3.45Å
132V87.1Confident74.1Confident36 Ų3678.4 Ų78.422%0.21841%0.41CS..SBendtrans-70.2123.5176179.40000108.1I8 Y20 A128 I129I8-V132 HydrophobicContact CD1-CG2 3.89Å; I8-V132 HydrophobicContact CG2-CG2 4.07Å; Y20-V132 HydrophobicContact CE1-CG1 4.06Å; Y20-V132 HydrophobicContact CE2-CG1 4.38Å; A128-V132 PolarHBondContact O-N 3.05Å; I129-V132 HydrophobicContact CD1-CG2 4.38Å; I129-V132 PolarHBondContact O-N 3.44Å
133P80.1Confident72.3Confident107 Ų10780.9 Ų80.970%0.69542%0.422SS*.PPolyproline II helixtrans-62147.9176.326.1-33.2000110.2D135P133-D135 PolarHBondContact O-N 2.89Å
134A69.9Low70.1Confident77 Ų7787 Ų8764%0.63645%0.453SS*.PPolyproline II helixtrans-57.9132.3173.300000109.7P136A134-P136 VanDerWaalsContact O-CD 3.31Å; A134-P136 WeakPolarHBondContact O-CD 3.4Å
135D65Low67.9Low25 Ų2585.7 Ų85.713%0.13445%0.45CS..PPolyproline II helixtrans-68.2117.4-178-173.9-18000109.1R10 P133 V137 E138R10-D135 IonicContact CZ-OD2 3.09Å; R10-D135 IonicContact NE-OD2 2.6Å; R10-D135 PolarHBondContact NE-OD2 3.03Å; R10-D135 IonicContact NH2-OD2 3.52Å; R10-D135 PolarHBondContact NH2-OD2 2.89Å; R10-D135 VanDerWaalsContact NH2-OD2 3.14Å; P133-D135 PolarHBondContact O-N 2.89Å; D135-V137 PolarHBondContact O-N 2.82Å; D135-V137 VanDerWaalsContact O-N 3.1Å; D135-V137 VanDerWaalsContact OD1-CB 3.28Å; D135-V137 WeakPolarHBondContact OD1-CB 3.33Å; D135-V137 WeakPolarHBondContact OD1-CG2 3.29Å; D135-V137 PolarHBondContact OD1-N 3.41Å; D135-E138 HydrophobicContact CB-CB 4.34Å; D135-E138 HydrophobicContact CB-CG 3.98Å; D135-E138 WeakPolarHBondContact O-CB 3.31Å; D135-E138 PolarHBondContact O-N 2.8Å
136P56.3Low65.6Low86 Ų8693.9 Ų93.956%0.55848%0.481SS*.Hα-helixtrans-58.8-24.6179.2-22.432.9000113.1A134 E138 E139 Q140A134-P136 VanDerWaalsContact O-CD 3.31Å; A134-P136 WeakPolarHBondContact O-CD 3.4Å; P136-E138 VanDerWaalsContact C-N 3.33Å; P136-E139 PolarHBondContact O-N 3.02Å; P136-Q140 PolarHBondContact O-N 2.97Å
137V54.2Low63.4Low77 Ų7796.2 Ų96.247%0.46750%0.496SS..Hα-helixtrans-71.5-30.4176.7-175.70000111D135 E139 Q140 Y141D135-V137 PolarHBondContact O-N 2.82Å; D135-V137 VanDerWaalsContact O-N 3.1Å; D135-V137 VanDerWaalsContact OD1-CB 3.28Å; D135-V137 WeakPolarHBondContact OD1-CB 3.33Å; D135-V137 WeakPolarHBondContact OD1-CG2 3.29Å; D135-V137 PolarHBondContact OD1-N 3.41Å; V137-E139 VanDerWaalsContact C-N 3.34Å; V137-Q140 PolarHBondContact O-N 3.43Å; V137-Y141 HydrophobicContact CG1-CD2 3.86Å; V137-Y141 HydrophobicContact CG1-CE2 4.38Å; V137-Y141 PolarHBondContact O-N 2.98Å; V137-Y141 VanDerWaalsContact O-N 3.13Å
138E55.7Low61.5Low79 Ų79100.2 Ų100.237%0.36951%0.505SS..Hα-helixtrans-66.7-35.2173.8-74.3-174.3157.800111.9T18 D135 P136 L142T18-E138 WeakPolarHBondContact CB-OE1 3.36Å; T18-E138 PolarHBondContact N-OE1 3.08Å; T18-E138 PolarHBondContact OG1-OE1 3.39Å; D135-E138 HydrophobicContact CB-CB 4.34Å; D135-E138 HydrophobicContact CB-CG 3.98Å; D135-E138 WeakPolarHBondContact O-CB 3.31Å; D135-E138 PolarHBondContact O-N 2.8Å; P136-E138 VanDerWaalsContact C-N 3.33Å; E138-L142 WeakPolarHBondContact O-CD1 3.37Å; E138-L142 WeakPolarHBondContact O-CG 3.38Å
139E52.2Low59.4Low147 Ų147103.3 Ų103.369%0.68751%0.514SS*.Hα-helixtrans-70.4-31177.2-73.5-171.6164.700112.8P136 V137P136-E139 PolarHBondContact O-N 3.02Å; V137-E139 VanDerWaalsContact C-N 3.34Å
140Q45.2Very low57.7Low154 Ų154106.8 Ų106.872%0.7253%0.527SS*.Hα-helixtrans-89.9-24.5-176.4-70179.4-9.300114.4P136 V137P136-Q140 PolarHBondContact O-N 2.97Å; V137-Q140 PolarHBondContact O-N 3.43Å
141Y48.3Very low56.3Low127 Ų127104 Ų10450%0.49852%0.515SS..  trans-114.624.6-173.8-75.7-92.6000114.5V137 E143 L144 S145V137-Y141 HydrophobicContact CG1-CD2 3.86Å; V137-Y141 HydrophobicContact CG1-CE2 4.38Å; V137-Y141 PolarHBondContact O-N 2.98Å; V137-Y141 VanDerWaalsContact O-N 3.13Å; Y141-E143 PolarHBondContact O-N 3.18Å; Y141-E143 VanDerWaalsContact O-N 3.16Å; Y141-L144 HydrophobicContact CD1-CB 4.12Å; Y141-L144 HydrophobicContact CD1-CD1 3.79Å; Y141-L144 HydrophobicContact CE1-CD1 3.87Å; Y141-L144 PolarHBondContact O-N 3.45Å; Y141-S145 PolarHBondContact O-OG 3.31Å
142L50.9Low54.2Low108 Ų108100 Ų10057%0.56551%0.51SS*.THydrogen-bonded Turntrans-55.7-27.6172.4-91.2140.8000113E138E138-L142 WeakPolarHBondContact O-CD1 3.37Å; E138-L142 WeakPolarHBondContact O-CG 3.38Å
143E40.6Very low52.6Low198 Ų198104.8 Ų104.893%0.92553%0.534SS*.THydrogen-bonded Turntrans-87.7-21.4-178.1-74.2-179.8162.600115.2Y141Y141-E143 PolarHBondContact O-N 3.18Å; Y141-E143 VanDerWaalsContact O-N 3.16Å
144L41.8Very low51.2Low139 Ų139101.5 Ų101.573%0.72852%0.52SS*.THydrogen-bonded Turntrans-102.46.2-178.7-81162.6000113.7Y141 R146Y141-L144 HydrophobicContact CD1-CB 4.12Å; Y141-L144 HydrophobicContact CD1-CD1 3.79Å; Y141-L144 HydrophobicContact CE1-CD1 3.87Å; Y141-L144 PolarHBondContact O-N 3.45Å; L144-R146 VanDerWaalsContact C-N 3.28Å; L144-R146 PolarHBondContact O-N 3.02Å
145S42.6Very low50.6Low42 Ų42103.4 Ų103.429%0.29452%0.516SS..  trans-76.271-179.9-69.70000111.7R13 Y141 T147R13-S145 PolarHBondContact NH1-OG 3.12Å; Y141-S145 PolarHBondContact O-OG 3.31Å; S145-T147 VanDerWaalsContact C-N 3.32Å; S145-T147 PolarHBondContact O-N 2.81Å
146R44.5Very low50.1Low180 Ų180107.2 Ų107.268%0.67954%0.536SS*.  trans-56.9104158.9-84.5176.5112.5-158.5-2.2106.3L144 R148 E158L144-R146 VanDerWaalsContact C-N 3.28Å; L144-R146 PolarHBondContact O-N 3.02Å; R146-R148 PolarHBondContact O-N 2.83Å; R146-E158 IonicContact CZ-OE1 3.05Å; R146-E158 IonicContact NH1-OE1 3.36Å; R146-E158 PolarHBondContact NH1-OE1 3.44Å; R146-E158 VanDerWaalsContact NH1-OE1 3.09Å; R146-E158 IonicContact NH2-OE1 2.81Å; R146-E158 PolarHBondContact NH2-OE1 3.46Å
147T45.1Very low50.7Low58 Ų58106.3 Ų106.336%0.35653%0.528SS..PPolyproline II helixtrans-57116.9173.4-62.70000105.7S145 Y149S145-T147 VanDerWaalsContact C-N 3.32Å; S145-T147 PolarHBondContact O-N 2.81Å; T147-Y149 HydrophobicContact CG2-CE1 4.22Å; T147-Y149 HydrophobicContact CG2-CE2 4.48Å; T147-Y149 WeakPolarHBondContact O-CD2 3.3Å; T147-Y149 WeakPolarHBondContact O-CE2 3.48Å; T147-Y149 PolarHBondContact O-N 3Å
148R50.2Low50.7Low173 Ų173109.6 Ų109.665%0.65354%0.539SS*.PPolyproline II helixtrans-77.3116.2178.2-77.3-179.7-171178.92.5107.5R146 Y150 L156R146-R148 PolarHBondContact O-N 2.83Å; R148-Y150 HydrophobicContact CB-CE2 4.11Å; R148-Y150 WeakPolarHBondContact O-CE2 3.18Å; R148-L156 HydrophobicContact CB-CD2 3.48Å; R148-L156 VanDerWaalsContact CB-CD2 3.48Å; R148-L156 HydrophobicContact CG-CD2 3.71Å
149Y48.4Very low51Low80 Ų80112 Ų11231%0.31455%0.55SS..EExtended strand (participates in β ladder)trans-88.8143177.3-57.4-89.5000108.9T147 L156 V157 E159T147-Y149 HydrophobicContact CG2-CE1 4.22Å; T147-Y149 HydrophobicContact CG2-CE2 4.48Å; T147-Y149 WeakPolarHBondContact O-CD2 3.3Å; T147-Y149 WeakPolarHBondContact O-CE2 3.48Å; T147-Y149 PolarHBondContact O-N 3Å; Y149-L156 WeakPolarHBondContact O-CA 3.35Å; Y149-V157 WeakPolarHBondContact O-CG2 3.48Å; Y149-V157 PolarHBondContact O-N 2.79Å; Y149-E159 HydrophobicContact CD2-CG 3.64Å; Y149-E159 HydrophobicContact CE2-CG 3.12Å; Y149-E159 WeakPolarHBondContact CE2-OE1 3.28Å; Y149-E159 VanDerWaalsContact CZ-OE1 3.28Å; Y149-E159 PolarHBondContact OH-OE1 3.37Å
150Y56.8Low50.5Low83 Ų83114 Ų11433%0.32556%0.559SS.*EExtended strand (participates in β ladder)trans-121.6135.9176.7-60-89.2000108.9R148 G154 E155 L156R148-Y150 HydrophobicContact CB-CE2 4.11Å; R148-Y150 WeakPolarHBondContact O-CE2 3.18Å; Y150-G154 WeakPolarHBondContact CD1-O 3.35Å; Y150-E155 WeakPolarHBondContact CA-O 3.42Å; Y150-L156 HydrophobicContact CD1-CD2 4.28Å; Y150-L156 HydrophobicContact CD1-CG 4.23Å; Y150-L156 HydrophobicContact CE1-CD2 3.68Å; Y150-L156 HydrophobicContact CE1-CG 3.69Å
151N57.9Low50.2Low48 Ų48115.8 Ų115.826%0.25757%0.568SS.*  trans-76.9178.5172.569.514000110.7N153 G154 E155 V157N151-N153 PolarHBondContact O-N 3.25Å; N151-N153 WeakPolarHBondContact OD1-CA 3.39Å; N151-N153 WeakPolarHBondContact OD1-CB 3.37Å; N151-N153 PolarHBondContact OD1-N 3.29Å; N151-G154 PolarHBondContact O-N 3.35Å; N151-G154 PolarHBondContact OD1-N 2.85Å; N151-E155 PolarHBondContact N-O 3.19Å; N151-E155 PolarHBondContact ND2-OE2 3.37Å; N151-E155 PolarHBondContact OD1-N 2.96Å; N151-V157 HydrophobicContact CB-CG2 4.34Å
152A44.8Very low50Low77 Ų77115.4 Ų115.464%0.63658%0.582SS**THydrogen-bonded Turntrans-59-16.3179.700000114.3
153N54.6Low49.5Very low135 Ų135115.8 Ų115.872%0.72259%0.594SS**THydrogen-bonded Turntrans-96.60.9177.9-56.2-37.1000112.8N151 E155N151-N153 PolarHBondContact O-N 3.25Å; N151-N153 WeakPolarHBondContact OD1-CA 3.39Å; N151-N153 WeakPolarHBondContact OD1-CB 3.37Å; N151-N153 PolarHBondContact OD1-N 3.29Å; N153-E155 HydrophobicContact CB-CG 4.34Å
154G49.8Very low49.8Very low39 Ų39110.9 Ų110.940%0.40258%0.58SS.*SBendtrans79.215.7-178.900000114.7Y150 N151Y150-G154 WeakPolarHBondContact CD1-O 3.35Å; N151-G154 PolarHBondContact O-N 3.35Å; N151-G154 PolarHBondContact OD1-N 2.85Å
155E58.3Low50.7Low117 Ų117106.6 Ų106.655%0.54756%0.56SS.*  trans-89.6144.7178-56.2173136.500111.5Y150 N151 N153 V157Y150-E155 WeakPolarHBondContact CA-O 3.42Å; N151-E155 PolarHBondContact N-O 3.19Å; N151-E155 PolarHBondContact ND2-OE2 3.37Å; N151-E155 PolarHBondContact OD1-N 2.96Å; N153-E155 HydrophobicContact CB-CG 4.34Å; E155-V157 PolarHBondContact O-N 2.92Å
156L54.6Low52Low105 Ų105107 Ų10755%0.5556%0.555SS.*EExtended strand (participates in β ladder)trans-68.7123.5177.2-84.1162.6000111.5R148 Y149 Y150R148-L156 HydrophobicContact CB-CD2 3.48Å; R148-L156 VanDerWaalsContact CB-CD2 3.48Å; R148-L156 HydrophobicContact CG-CD2 3.71Å; Y149-L156 WeakPolarHBondContact O-CA 3.35Å; Y150-L156 HydrophobicContact CD1-CD2 4.28Å; Y150-L156 HydrophobicContact CD1-CG 4.23Å; Y150-L156 HydrophobicContact CE1-CD2 3.68Å; Y150-L156 HydrophobicContact CE1-CG 3.69Å
157V68.7Low53.6Low66 Ų66101.7 Ų101.740%0.454%0.536SS..EExtended strand (participates in β ladder)trans-114.8133.3174.1-91.30000110.6Y149 N151 E155Y149-V157 WeakPolarHBondContact O-CG2 3.48Å; Y149-V157 PolarHBondContact O-N 2.79Å; N151-V157 HydrophobicContact CB-CG2 4.34Å; E155-V157 PolarHBondContact O-N 2.92Å
158E54.5Low55.6Low147 Ų14799.5 Ų99.569%0.68752%0.522SS*.  trans-77.2139.4166.6-65.7-158.3123.400108.6R146 E160R146-E158 IonicContact CZ-OE1 3.05Å; R146-E158 IonicContact NH1-OE1 3.36Å; R146-E158 PolarHBondContact NH1-OE1 3.44Å; R146-E158 VanDerWaalsContact NH1-OE1 3.09Å; R146-E158 IonicContact NH2-OE1 2.81Å; R146-E158 PolarHBondContact NH2-OE1 3.46Å; E158-E160 PolarHBondContact O-N 2.83Å
159E61.7Low57.5Low128 Ų12891.2 Ų91.260%0.59849%0.49SS*.  trans-45.2106.2-168.9-74.7173.115300113.9Y149Y149-E159 HydrophobicContact CD2-CG 3.64Å; Y149-E159 HydrophobicContact CE2-CG 3.12Å; Y149-E159 WeakPolarHBondContact CE2-OE1 3.28Å; Y149-E159 VanDerWaalsContact CZ-OE1 3.28Å; Y149-E159 PolarHBondContact OH-OE1 3.37Å
160E41.4Very low59.5Low189 Ų18989.4 Ų89.488%0.88349%0.485SS*.  trans-122.5145.4149.9-86.2-175.617600109.2E158E158-E160 PolarHBondContact O-N 2.83Å
161E38.4Very low61.2Low193 Ų19386.4 Ų86.490%0.90247%0.473SS*.  trans-56130.4-161.1-66.9171142.400114.2
162C43.6Very low62.6Low118 Ų11887.2 Ų87.280%0.79748%0.481SS*.  trans46.889141.9-133.90000117.4
163S40.9Very low64.8Low117 Ų11783.7 Ų83.782%0.81845%0.452SS*.SBendtrans-149-14.6147.567.40000117.8
164C46.4Very low66.4Low94 Ų9477.4 Ų77.464%0.63542%0.418SS*.  trans-149.649178.6-78.40000113.9Y166C164-Y166 PolarHBondContact O-N 3.34Å
165T60.8Low68Low50 Ų5077.1 Ų77.131%0.30741%0.41SS..  trans-76.789.5177-14.40000110.3Y167T165-Y167 HydrophobicContact CG2-CE1 4.24Å; T165-Y167 VanDerWaalsContact O-CD2 3.29Å; T165-Y167 WeakPolarHBondContact O-CD2 3.47Å; T165-Y167 WeakPolarHBondContact O-CE2 3.17Å; T165-Y167 PolarHBondContact O-N 2.82Å
166Y69.8Low69.4Low49 Ų4974.1 Ų74.119%0.19240%0.397CS..  trans-61.6115.8167.6-72.6-72.8000109.5M40 V42 A49 C164 I177M40-Y166 HydrophobicContact SD-CD2 4.31Å; V42-Y166 HydrophobicContact CB-CE2 4.19Å; V42-Y166 HydrophobicContact CG1-CE2 3.54Å; V42-Y166 WeakPolarHBondContact CG1-OH 3.46Å; V42-Y166 HydrophobicContact CG2-CD2 4.02Å; V42-Y166 HydrophobicContact CG2-CE2 3.55Å; A49-Y166 HydrophobicContact CB-CD1 3.99Å; A49-Y166 HydrophobicContact CB-CD2 3.97Å; A49-Y166 HydrophobicContact CB-CE1 4.25Å; A49-Y166 HydrophobicContact CB-CE2 4.23Å; A49-Y166 HydrophobicContact CB-CG 3.86Å; C164-Y166 PolarHBondContact O-N 3.34Å; Y166-I177 HydrophobicContact CD1-CG2 4.05Å; Y166-I177 HydrophobicContact CG-CG2 4.2Å
167Y78.9Confident70.9Confident69 Ų6969.8 Ų69.827%0.27137%0.374SS..PPolyproline II helixtrans-91.7135.1177.3-68.1-69.7000110.8T165 I177 E178 F184 R194T165-Y167 HydrophobicContact CG2-CE1 4.24Å; T165-Y167 VanDerWaalsContact O-CD2 3.29Å; T165-Y167 WeakPolarHBondContact O-CD2 3.47Å; T165-Y167 WeakPolarHBondContact O-CE2 3.17Å; T165-Y167 PolarHBondContact O-N 2.82Å; Y167-I177 CarbonylContact O-C 3.55Å; Y167-I177 WeakPolarHBondContact O-CA 3.31Å; Y167-E178 WeakPolarHBondContact CD2-OE2 3.27Å; Y167-E178 VanDerWaalsContact O-CB 3.32Å; Y167-E178 WeakPolarHBondContact O-CB 3.37Å; Y167-E178 PolarHBondContact O-N 2.95Å; Y167-F184 WeakPolarHBondContact O-CE2 3.4Å; Y167-R194 PolarHBondContact OH-NH2 2.82Å
168E87.3Confident71.6Confident12 Ų1267 Ų676%0.05636%0.357CS..BIsolated β-bridgetrans-101151.3171.763.7171.5-129.500112.5A15 K17 K19 H170 L176 I177A15-E168 HydrophobicContact CB-CB 4.38Å; A15-E168 HydrophobicContact CB-CG 3.85Å; A15-E168 VanDerWaalsContact CB-OE2 3.29Å; A15-E168 WeakPolarHBondContact CB-OE2 3.14Å; A15-E168 VanDerWaalsContact O-CD 3.27Å; A15-E168 VanDerWaalsContact O-CG 3.27Å; A15-E168 WeakPolarHBondContact O-CG 3.4Å; K17-E168 WeakPolarHBondContact CB-OE1 3.37Å; K17-E168 WeakPolarHBondContact CE-OE1 3.36Å; K17-E168 VanDerWaalsContact CG-OE1 3.27Å; K17-E168 WeakPolarHBondContact CG-OE1 3.44Å; K17-E168 IonicContact NZ-OE1 3.64Å; K17-E168 PolarHBondContact NZ-OE1 2.65Å; K19-E168 WeakPolarHBondContact CE-OE2 3.48Å; K19-E168 IonicContact NZ-OE1 3.14Å; K19-E168 PolarHBondContact NZ-OE1 3.21Å; K19-E168 IonicContact NZ-OE2 3.63Å; K19-E168 PolarHBondContact NZ-OE2 2.86Å; E168-H170 PolarHBondContact O-N 2.82Å; E168-L176 CarbonylContact C-O 3.57Å; E168-L176 VanDerWaalsContact CA-O 3.32Å; E168-L176 WeakPolarHBondContact CA-O 3.17Å; E168-I177 HydrophobicContact CB-CG1 4.19Å
169C89.9Confident72.7Confident0 Ų068.1 Ų68.10%036%0.355CS..PPolyproline II helixtrans-62129.4177.81720000109.9K17 Y171 C174 L176 F184 R194 C196K17-C169 PolarHBondContact NZ-O 3.2Å; C169-Y171 VanDerWaalsContact C-N 3.3Å; C169-Y171 PolarHBondContact O-N 3.38Å; C169-C174 HydrophobicContact CB-CB 4Å; C169-L176 HydrophobicContact CB-CB 4.38Å; C169-L176 PolarHBondContact N-O 3.45Å; C169-F184 HydrophobicContact CB-CE2 4.05Å; C169-F184 VanDerWaalsContact N-CE2 3.31Å; C169-R194 CarbonylContact C-O 3.48Å; C169-C196 HydrophobicContact CB-CB 4.09Å
170H91.1Very high73.3Confident41 Ų4171.5 Ų71.519%0.1936%0.362CS..SBendtrans-65.6-28.6-171.1-176.4-82.5000113.4K17 E168 P172 A193 R194 Y195 D204K17-H170 WeakPolarHBondContact CE-O 3.46Å; K17-H170 PolarHBondContact NZ-O 3.37Å; E168-H170 PolarHBondContact O-N 2.82Å; H170-P172 WeakPolarHBondContact O-CD 3.3Å; H170-A193 HydrophobicContact CB-CB 4.14Å; H170-R194 VanDerWaalsContact CB-O 3.23Å; H170-R194 WeakPolarHBondContact CB-O 3.44Å; H170-R194 PolarHBondContact N-O 2.96Å; H170-Y195 HydrophobicContact CB-CD1 4.04Å; H170-Y195 HydrophobicContact CB-CE1 3.62Å; H170-D204 IonicContact CE1-OD2 2.82Å; H170-D204 PolarHBondContact CE1-OD2 2.84Å; H170-D204 IonicContact CG-OD2 3.14Å; H170-D204 IonicContact ND1-OD1 2.65Å; H170-D204 IonicContact ND1-OD2 3.29Å; H170-D204 PolarHBondContact ND1-OD2 2.74Å
171Y91Very high74.8Confident20 Ų2069.2 Ų69.28%0.07836%0.355CS..SBendtrans-64.9117.7178.9-174.9-134000111.3W126 C169 P173 C174 C200 R203 D204W126-Y171 AromaticContact CE2-CE1 3.85Å; W126-Y171 AromaticContact CH2-CD1 3.64Å; W126-Y171 HydrophobicContact CH2-CD1 3.64Å; W126-Y171 AromaticContact CH2-CE1 3.86Å; W126-Y171 HydrophobicContact CH2-CE1 3.86Å; W126-Y171 AromaticContact CZ2-CD1 3.54Å; W126-Y171 HydrophobicContact CZ2-CD1 3.54Å; W126-Y171 AromaticContact CZ2-CE1 3.24Å; W126-Y171 HydrophobicContact CZ2-CE1 3.24Å; C169-Y171 VanDerWaalsContact C-N 3.3Å; C169-Y171 PolarHBondContact O-N 3.38Å; Y171-P173 HydrophobicContact CD1-CB 4.46Å; Y171-P173 HydrophobicContact CD1-CG 4.37Å; Y171-P173 HydrophobicContact CE1-CB 4.1Å; Y171-P173 HydrophobicContact CE1-CG 3.82Å; Y171-P173 HydrophobicContact CE2-CG 4.17Å; Y171-C174 WeakPolarHBondContact O-CA 3.48Å; Y171-C174 WeakPolarHBondContact O-CB 3.3Å; Y171-C174 PolarHBondContact O-N 3.33Å; Y171-C200 HydrophobicContact CD1-CB 4.43Å; Y171-C200 HydrophobicContact CG-CB 4.5Å; Y171-R203 HydrophobicContact CD1-CB 4.43Å; Y171-R203 HydrophobicContact CD2-CB 4.46Å; Y171-R203 HydrophobicContact CE1-CB 3.96Å; Y171-R203 HydrophobicContact CE2-CB 4.02Å; Y171-D204 HydrophobicContact CD2-CB 3.61Å; Y171-D204 HydrophobicContact CE2-CB 4.45Å; Y171-D204 HydrophobicContact CG-CB 4.2Å
172P88.9Confident76.6Confident66 Ų6670.8 Ų70.843%0.42935%0.353SS..THydrogen-bonded Turntrans-57.5-39.2-166.2-25.833.2000116.7I129 H170 C174I129-P172 HydrophobicContact CG2-CB 4.38Å; H170-P172 WeakPolarHBondContact O-CD 3.3Å; P172-C174 PolarHBondContact O-N 2.96Å; P172-C174 VanDerWaalsContact O-N 3.15Å
173P90.2Very high78.7Confident3 Ų370 Ų702%0.01934%0.337CS..THydrogen-bonded Turntrans-61.9-19.6174.4-27.638.9000114.2W126 I129 Q130 Y171W126-P173 HydrophobicContact CD2-CB 3.44Å; W126-P173 VanDerWaalsContact CD2-CB 3.44Å; W126-P173 HydrophobicContact CE3-CB 3.76Å; W126-P173 HydrophobicContact CG-CB 3.81Å; W126-P173 HydrophobicContact CH2-CB 4.46Å; W126-P173 HydrophobicContact CZ2-CB 4.2Å; W126-P173 HydrophobicContact CZ3-CB 4.28Å; I129-P173 HydrophobicContact CB-CB 4.42Å; I129-P173 HydrophobicContact CB-CG 4.45Å; I129-P173 HydrophobicContact CG2-CG 4.28Å; Q130-P173 HydrophobicContact CB-CG 4.16Å; Y171-P173 HydrophobicContact CD1-CB 4.46Å; Y171-P173 HydrophobicContact CD1-CG 4.37Å; Y171-P173 HydrophobicContact CE1-CB 4.1Å; Y171-P173 HydrophobicContact CE1-CG 3.82Å; Y171-P173 HydrophobicContact CE2-CG 4.17Å
174C88.6Confident81Confident3 Ų364.8 Ų64.82%0.0230%0.3CS..  trans-84.7125.2-178.6-164.40000112.5W126 C169 Y171 P172W126-C174 HydrophobicContact CE3-CB 4.47Å; W126-C174 HydrophobicContact CH2-CB 3.71Å; W126-C174 HydrophobicContact CZ3-CB 3.42Å; W126-C174 VanDerWaalsContact CZ3-CB 3.42Å; C169-C174 HydrophobicContact CB-CB 4Å; Y171-C174 WeakPolarHBondContact O-CA 3.48Å; Y171-C174 WeakPolarHBondContact O-CB 3.3Å; Y171-C174 PolarHBondContact O-N 3.33Å; P172-C174 PolarHBondContact O-N 2.96Å; P172-C174 VanDerWaalsContact O-N 3.15Å
175S84.1Confident83.2Confident33 Ų3364.2 Ų64.223%0.23129%0.291CS..  trans-1009.117658.90000113.5I177S175-I177 PolarHBondContact O-N 3.34Å
176L85.9Confident84.6Confident53 Ų5365 Ų6528%0.27729%0.293SS..  trans-67.4130.5179.8-84.2168.4000111.2E168 C169 F184 C196E168-L176 CarbonylContact C-O 3.57Å; E168-L176 VanDerWaalsContact CA-O 3.32Å; E168-L176 WeakPolarHBondContact CA-O 3.17Å; C169-L176 HydrophobicContact CB-CB 4.38Å; C169-L176 PolarHBondContact N-O 3.45Å; L176-F184 HydrophobicContact CB-CZ 3.95Å; L176-C196 HydrophobicContact CB-CB 4.18Å; L176-C196 HydrophobicContact CD1-CB 3.68Å
177I85.8Confident85.7Confident14 Ų1462.9 Ų62.97%0.07229%0.285CS..BIsolated β-bridgetrans-113.7135.7173-59.8174.6000107.4M40 A49 I51 Y166 Y167 E168 S175 R179M40-I177 HydrophobicContact CE-CD1 4.11Å; A49-I177 HydrophobicContact CB-CD1 4.43Å; A49-I177 HydrophobicContact CB-CG2 4.29Å; A49-I177 WeakPolarHBondContact O-CD1 3.35Å; I51-I177 HydrophobicContact CD1-CD1 3.94Å; I51-I177 HydrophobicContact CG1-CD1 3.84Å; Y166-I177 HydrophobicContact CD1-CG2 4.05Å; Y166-I177 HydrophobicContact CG-CG2 4.2Å; Y167-I177 CarbonylContact O-C 3.55Å; Y167-I177 WeakPolarHBondContact O-CA 3.31Å; E168-I177 HydrophobicContact CB-CG1 4.19Å; S175-I177 PolarHBondContact O-N 3.34Å; I177-R179 PolarHBondContact O-N 3.32Å
178E83.5Confident86.2Confident7 Ų762.5 Ų62.53%0.03330%0.302CS..  trans-59.7126.8-178.6-157.2-179.3-139.400109.8Y167 R180 R182 E183 F184Y167-E178 WeakPolarHBondContact CD2-OE2 3.27Å; Y167-E178 VanDerWaalsContact O-CB 3.32Å; Y167-E178 WeakPolarHBondContact O-CB 3.37Å; Y167-E178 PolarHBondContact O-N 2.95Å; E178-R180 WeakPolarHBondContact CG-O 3.49Å; E178-R182 WeakPolarHBondContact OE1-CA 3.37Å; E178-R182 PolarHBondContact OE1-N 3.18Å; E178-R182 PolarHBondContact OE2-N 3.34Å; E178-E183 HydrophobicContact CG-CB 3.75Å; E178-E183 PolarHBondContact OE1-N 3.29Å; E178-F184 HydrophobicContact CB-CD1 4.3Å; E178-F184 HydrophobicContact CB-CD2 4.14Å; E178-F184 HydrophobicContact CB-CE1 4.2Å; E178-F184 HydrophobicContact CB-CE2 4.01Å; E178-F184 HydrophobicContact CB-CG 4.28Å; E178-F184 HydrophobicContact CB-CZ 4.05Å; E178-F184 HydrophobicContact CG-CD1 3.97Å; E178-F184 HydrophobicContact CG-CD2 4.42Å; E178-F184 HydrophobicContact CG-CE1 4.24Å; E178-F184 HydrophobicContact CG-CG 4.07Å; E178-F184 VanDerWaalsContact N-CZ 3.29Å; E178-F184 PolarHBondContact OE1-N 3.24Å
179R78.4Confident86.3Confident171 Ų17168.3 Ų68.365%0.64532%0.323SS*.SBendtrans-88.7-32.8177.9-66.9179.7174.5176.4-3.3111.3I177 E183I177-R179 PolarHBondContact O-N 3.32Å; R179-E183 PolarHBondContact N-OE2 2.9Å
180R74.5Confident86.1Confident199 Ų19968.8 Ų68.875%0.75133%0.326SS*.SBendtrans-127.5136.1179.3-62.5-179.9-176.9141-0.2109.8E178 R182 E183E178-R180 WeakPolarHBondContact CG-O 3.49Å; R180-R182 PolarHBondContact O-N 2.85Å; R180-E183 PolarHBondContact N-OE2 2.98Å; R180-E183 WeakPolarHBondContact O-CB 3.33Å; R180-E183 PolarHBondContact O-N 3.41Å
181L73.8Confident85.9Confident141 Ų14171.1 Ų71.174%0.73834%0.337SS*.THydrogen-bonded Turntrans-48.9127.4177.8-65.7174.1000111.3E183L181-E183 VanDerWaalsContact C-N 3.33Å
182R76.1Confident85.6Confident226 Ų22674.5 Ų74.585%0.85336%0.36SS*.THydrogen-bonded Turntrans69.618.9178.9-48.4178.4177.9-179.4-0.1115.6E178 R180 F184E178-R182 WeakPolarHBondContact OE1-CA 3.37Å; E178-R182 PolarHBondContact OE1-N 3.18Å; E178-R182 PolarHBondContact OE2-N 3.34Å; R180-R182 PolarHBondContact O-N 2.85Å; R182-F184 VanDerWaalsContact C-N 3.26Å
183E86Confident85.6Confident101 Ų10171.6 Ų71.647%0.47234%0.341SS..  trans-64-31.8165.2175.6-174.4-171.900111.8E178 R179 R180 L181E178-E183 HydrophobicContact CG-CB 3.75Å; E178-E183 PolarHBondContact OE1-N 3.29Å; R179-E183 PolarHBondContact N-OE2 2.9Å; R180-E183 PolarHBondContact N-OE2 2.98Å; R180-E183 WeakPolarHBondContact O-CB 3.33Å; R180-E183 PolarHBondContact O-N 3.41Å; L181-E183 VanDerWaalsContact C-N 3.33Å
184F90.9Very high85.6Confident9 Ų974 Ų744%0.03935%0.35CS..SBendtrans-87.5141.4-179.6-72.15.6000112.6Y167 C169 L176 E178 R182 I186 R194 Y195 C196Y167-F184 WeakPolarHBondContact O-CE2 3.4Å; C169-F184 HydrophobicContact CB-CE2 4.05Å; C169-F184 VanDerWaalsContact N-CE2 3.31Å; L176-F184 HydrophobicContact CB-CZ 3.95Å; E178-F184 HydrophobicContact CB-CD1 4.3Å; E178-F184 HydrophobicContact CB-CD2 4.14Å; E178-F184 HydrophobicContact CB-CE1 4.2Å; E178-F184 HydrophobicContact CB-CE2 4.01Å; E178-F184 HydrophobicContact CB-CG 4.28Å; E178-F184 HydrophobicContact CB-CZ 4.05Å; E178-F184 HydrophobicContact CG-CD1 3.97Å; E178-F184 HydrophobicContact CG-CD2 4.42Å; E178-F184 HydrophobicContact CG-CE1 4.24Å; E178-F184 HydrophobicContact CG-CG 4.07Å; E178-F184 VanDerWaalsContact N-CZ 3.29Å; E178-F184 PolarHBondContact OE1-N 3.24Å; R182-F184 VanDerWaalsContact C-N 3.26Å; F184-I186 PolarHBondContact O-N 2.93Å; F184-R194 HydrophobicContact CB-CB 4.1Å; F184-R194 HydrophobicContact CD2-CB 4.39Å; F184-Y195 CarbonylContact C-O 3.55Å; F184-Y195 WeakPolarHBondContact CA-O 3.4Å; F184-Y195 WeakPolarHBondContact CB-O 3.47Å; F184-C196 HydrophobicContact CD1-CB 4Å; F184-C196 HydrophobicContact CE1-CB 3.66Å; F184-C196 HydrophobicContact CE2-CB 4.45Å; F184-C196 HydrophobicContact CZ-CB 3.91Å
185N91.9Very high85.8Confident82 Ų8273.9 Ų73.944%0.43935%0.349SS..EExtended strand (participates in β ladder)trans-69.1125.6174.2-70.9-34000110.7R194 Y195N185-R194 CarbonylContact O-C 3.51Å; N185-R194 WeakPolarHBondContact O-CA 3.47Å; N185-Y195 PolarHBondContact N-O 2.95Å; N185-Y195 PolarHBondContact O-N 3.34Å
186I91.1Very high86.1Confident67 Ų6774.4 Ų74.434%0.34435%0.352SS..EExtended strand (participates in β ladder)trans-87.5135.5174.8-50.9-179.9000109F184 G188 R194F184-I186 PolarHBondContact O-N 2.93Å; I186-G188 PolarHBondContact O-N 3.03Å; I186-G188 VanDerWaalsContact O-N 3.12Å; I186-R194 HydrophobicContact CG1-CG 4.19Å
187C92.4Very high86.4Confident3 Ų372.9 Ų72.92%0.0235%0.349CS..PPolyproline II helixtrans-58.7117.2175178.90000110.7R189 Q191 A193 Y195 H208C187-R189 PolarHBondContact O-N 3.3Å; C187-R189 VanDerWaalsContact O-N 3.08Å; C187-Q191 WeakPolarHBondContact O-CA 3.25Å; C187-Q191 PolarHBondContact O-N 2.88Å; C187-Q191 PolarHBondContact O-NE2 3.29Å; C187-A193 HydrophobicContact CB-CB 4.16Å; C187-A193 PolarHBondContact N-O 3.19Å; C187-Y195 HydrophobicContact CB-CE2 4.34Å; C187-H208 PolarHBondContact SG-NE2 3.25Å; C187-H208 VanDerWaalsContact SG-NE2 3.41Å
188G89.8Confident86.7Confident61 Ų6175.4 Ų75.463%0.62937%0.368SS*.THydrogen-bonded Turntrans-55.2-29.6-17700000114.8I186 Q191I186-G188 PolarHBondContact O-N 3.03Å; I186-G188 VanDerWaalsContact O-N 3.12Å; G188-Q191 VanDerWaalsContact C-NE2 3.31Å; G188-Q191 VanDerWaalsContact CA-NE2 3.31Å; G188-Q191 PolarHBondContact O-NE2 3.2Å
189R87.6Confident87.2Confident135 Ų13579 Ų7951%0.50939%0.385SS..THydrogen-bonded Turntrans-84.5-57.5-177.6-175.2175.8-175-162.13.3112.8C187 C212 E214C187-R189 PolarHBondContact O-N 3.3Å; C187-R189 VanDerWaalsContact O-N 3.08Å; R189-C212 PolarHBondContact NH1-O 3.33Å; R189-E214 WeakPolarHBondContact O-CA 3.29Å
190C87.7Confident87.9Confident9 Ų971 Ų716%0.06136%0.356CS..THydrogen-bonded Turntrans-87.4-21.4-175.569.20000114.1V192 H208 R213 R215C190-V192 WeakPolarHBondContact O-CG2 3.15Å; C190-V192 PolarHBondContact O-N 3.2Å; C190-V192 VanDerWaalsContact O-N 3.08Å; C190-H208 VanDerWaalsContact SG-CE1 3.6Å; C190-R213 WeakPolarHBondContact CA-O 3.39Å; C190-R213 WeakPolarHBondContact CB-O 3.46Å; C190-R215 WeakPolarHBondContact O-CB 3.24Å
191Q86.1Confident88.8Confident91 Ų9164.1 Ų64.143%0.42533%0.332SS..SBendtrans56.222-175.9-58-67-38.300113.9C187 G188C187-Q191 WeakPolarHBondContact O-CA 3.25Å; C187-Q191 PolarHBondContact O-N 2.88Å; C187-Q191 PolarHBondContact O-NE2 3.29Å; G188-Q191 VanDerWaalsContact C-NE2 3.31Å; G188-Q191 VanDerWaalsContact CA-NE2 3.31Å; G188-Q191 PolarHBondContact O-NE2 3.2Å
192V84.4Confident89.8Confident90 Ų9064 Ų6455%0.54533%0.328SS..  trans-117.4-55.8-179.6176.70000111.1C190 R194C190-V192 WeakPolarHBondContact O-CG2 3.15Å; C190-V192 PolarHBondContact O-N 3.2Å; C190-V192 VanDerWaalsContact O-N 3.08Å; V192-R194 PolarHBondContact O-NH1 2.9Å; V192-R194 VanDerWaalsContact O-NH1 3.17Å
193A88.4Confident90.6Very high5 Ų558.1 Ų58.14%0.04131%0.305CS..  trans-67.9134.3-179.400000111H170 C187 Y195H170-A193 HydrophobicContact CB-CB 4.14Å; C187-A193 HydrophobicContact CB-CB 4.16Å; C187-A193 PolarHBondContact N-O 3.19Å; A193-Y195 HydrophobicContact CB-CE2 3.88Å
194R91.5Very high90.9Very high54 Ų5453.6 Ų53.620%0.20429%0.285CS..EExtended strand (participates in β ladder)trans-117.5141.1178.5-69177.8178.176-8.5109.9Y167 C169 H170 F184 N185 I186 V192Y167-R194 PolarHBondContact OH-NH2 2.82Å; C169-R194 CarbonylContact C-O 3.48Å; H170-R194 VanDerWaalsContact CB-O 3.23Å; H170-R194 WeakPolarHBondContact CB-O 3.44Å; H170-R194 PolarHBondContact N-O 2.96Å; F184-R194 HydrophobicContact CB-CB 4.1Å; F184-R194 HydrophobicContact CD2-CB 4.39Å; N185-R194 CarbonylContact O-C 3.51Å; N185-R194 WeakPolarHBondContact O-CA 3.47Å; I186-R194 HydrophobicContact CG1-CG 4.19Å; V192-R194 PolarHBondContact O-NH1 2.9Å; V192-R194 VanDerWaalsContact O-NH1 3.17Å
195Y92.4Very high91Very high0 Ų058.1 Ų58.10%030%0.301CS..EExtended strand (participates in β ladder)trans-132.3139-179-60.3-84.4000110.2H170 F184 N185 C187 A193 G197 C200 Q201 D204H170-Y195 HydrophobicContact CB-CD1 4.04Å; H170-Y195 HydrophobicContact CB-CE1 3.62Å; F184-Y195 CarbonylContact C-O 3.55Å; F184-Y195 WeakPolarHBondContact CA-O 3.4Å; F184-Y195 WeakPolarHBondContact CB-O 3.47Å; N185-Y195 PolarHBondContact N-O 2.95Å; N185-Y195 PolarHBondContact O-N 3.34Å; C187-Y195 HydrophobicContact CB-CE2 4.34Å; A193-Y195 HydrophobicContact CB-CE2 3.88Å; Y195-G197 WeakPolarHBondContact CB-O 3.28Å; Y195-G197 PolarHBondContact O-N 3.1Å; Y195-C200 HydrophobicContact CD1-CB 4.09Å; Y195-Q201 HydrophobicContact CD1-CB 4.04Å; Y195-Q201 HydrophobicContact CD2-CB 3.67Å; Y195-Q201 HydrophobicContact CD2-CG 3.78Å; Y195-Q201 HydrophobicContact CE1-CB 4.32Å; Y195-Q201 HydrophobicContact CE2-CB 3.98Å; Y195-Q201 HydrophobicContact CE2-CG 3.68Å; Y195-Q201 HydrophobicContact CG-CB 3.7Å; Y195-Q201 HydrophobicContact CG-CG 4.32Å; Y195-D204 HydrophobicContact CE1-CB 3.69Å; Y195-D204 WeakPolarHBondContact CE1-OD2 3.29Å; Y195-D204 PolarHBondContact OH-OD2 2.88Å
196C90.9Very high91Very high44 Ų4457.8 Ų57.830%0.29730%0.303SS..SBendtrans-63.8-11.5175.567.70000113.5C169 L176 F184C169-C196 HydrophobicContact CB-CB 4.09Å; L176-C196 HydrophobicContact CB-CB 4.18Å; L176-C196 HydrophobicContact CD1-CB 3.68Å; F184-C196 HydrophobicContact CD1-CB 4Å; F184-C196 HydrophobicContact CE1-CB 3.66Å; F184-C196 HydrophobicContact CE2-CB 4.45Å; F184-C196 HydrophobicContact CZ-CB 3.91Å
197G92.3Very high90.9Very high21 Ų2157.2 Ų57.222%0.21631%0.309CS..SBendtrans-178.4168.9176.800000111.9Y195 Q199 C200 Q201Y195-G197 WeakPolarHBondContact CB-O 3.28Å; Y195-G197 PolarHBondContact O-N 3.1Å; G197-Q199 PolarHBondContact O-N 2.94Å; G197-C200 PolarHBondContact O-N 3Å; G197-Q201 PolarHBondContact O-N 3.49Å
198S92.1Very high90.7Very high68 Ų6857.4 Ų57.448%0.47631%0.31SS..Hα-helixtrans-60.2-31.2179.9550000113.1Q201 Q202S198-Q201 WeakPolarHBondContact O-CB 3.49Å; S198-Q201 PolarHBondContact O-N 3.28Å; S198-Q202 VanDerWaalsContact O-CG 3.3Å; S198-Q202 WeakPolarHBondContact O-CG 3.43Å; S198-Q202 PolarHBondContact O-N 3.38Å
199Q92.6Very high90.8Very high81 Ų8159.6 Ų59.638%0.37930%0.302SS..Hα-helixtrans-62.9-46178.6-172.1-179.41.600112.7E121 G197 Q201 Q202 R203E121-Q199 PolarHBondContact OE1-NE2 3.49Å; E121-Q199 PolarHBondContact OE1-OE1 3.1Å; E121-Q199 VanDerWaalsContact OE1-OE1 3.09Å; E121-Q199 PolarHBondContact OE2-NE2 3.38Å; G197-Q199 PolarHBondContact O-N 2.94Å; Q199-Q201 VanDerWaalsContact C-N 3.31Å; Q199-Q201 PolarHBondContact O-N 3.38Å; Q199-Q202 PolarHBondContact O-N 3.48Å; Q199-R203 WeakPolarHBondContact O-CG 3.43Å; Q199-R203 PolarHBondContact O-N 2.73Å
200C93.4Very high90.9Very high4 Ų461.5 Ų61.53%0.02731%0.314CS..Hα-helixtrans-63.9-38.6175.3-79.40000111.2Y171 Y195 G197 R203 D204Y171-C200 HydrophobicContact CD1-CB 4.43Å; Y171-C200 HydrophobicContact CG-CB 4.5Å; Y195-C200 HydrophobicContact CD1-CB 4.09Å; G197-C200 PolarHBondContact O-N 3Å; C200-R203 PolarHBondContact O-N 3.25Å; C200-D204 WeakPolarHBondContact O-CB 3.47Å; C200-D204 PolarHBondContact O-N 2.87Å
201Q94.1Very high90.7Very high54 Ų5465.9 Ų65.925%0.25233%0.333SS..Hα-helixtrans-62.2-45.4175.1-174.7-179.121.400112.2Y195 G197 S198 Q199 D204 W205Y195-Q201 HydrophobicContact CD1-CB 4.04Å; Y195-Q201 HydrophobicContact CD2-CB 3.67Å; Y195-Q201 HydrophobicContact CD2-CG 3.78Å; Y195-Q201 HydrophobicContact CE1-CB 4.32Å; Y195-Q201 HydrophobicContact CE2-CB 3.98Å; Y195-Q201 HydrophobicContact CE2-CG 3.68Å; Y195-Q201 HydrophobicContact CG-CB 3.7Å; Y195-Q201 HydrophobicContact CG-CG 4.32Å; G197-Q201 PolarHBondContact O-N 3.49Å; S198-Q201 WeakPolarHBondContact O-CB 3.49Å; S198-Q201 PolarHBondContact O-N 3.28Å; Q199-Q201 VanDerWaalsContact C-N 3.31Å; Q199-Q201 PolarHBondContact O-N 3.38Å; Q201-D204 PolarHBondContact O-N 3.43Å; Q201-W205 WeakPolarHBondContact O-CB 3.17Å; Q201-W205 PolarHBondContact O-N 2.84Å
202Q94Very high90.8Very high140 Ų14061.7 Ų61.765%0.65431%0.314SS*.Hα-helixtrans-64.1-42.1179.6-72.8171.724.200112.1S198 Q199 W205S198-Q202 VanDerWaalsContact O-CG 3.3Å; S198-Q202 WeakPolarHBondContact O-CG 3.43Å; S198-Q202 PolarHBondContact O-N 3.38Å; Q199-Q202 PolarHBondContact O-N 3.48Å; Q202-W205 WeakPolarHBondContact O-CB 3.32Å; Q202-W205 PolarHBondContact O-N 3.06Å
203R92.3Very high91Very high101 Ų10167 Ų6738%0.38132%0.324SS..Hα-helixtrans-66.5-37.1176.9-72.1-177.2175.8160.32.8112.6E121 Y171 Q199 C200 P206E121-R203 IonicContact OE2-CZ 3.21Å; E121-R203 IonicContact OE2-NH1 3.06Å; E121-R203 PolarHBondContact OE2-NH1 3.2Å; E121-R203 IonicContact OE2-NH2 3.72Å; E121-R203 PolarHBondContact OE2-NH2 2.96Å; Y171-R203 HydrophobicContact CD1-CB 4.43Å; Y171-R203 HydrophobicContact CD2-CB 4.46Å; Y171-R203 HydrophobicContact CE1-CB 3.96Å; Y171-R203 HydrophobicContact CE2-CB 4.02Å; Q199-R203 WeakPolarHBondContact O-CG 3.43Å; Q199-R203 PolarHBondContact O-N 2.73Å; C200-R203 PolarHBondContact O-N 3.25Å; R203-P206 WeakPolarHBondContact O-CD 3.27Å
204D92.5Very high90.7Very high7 Ų774.4 Ų74.44%0.03736%0.358CS..Hα-helixtrans-79.1-21.3179.2-169.646.4000113.4H170 Y171 Y195 C200 Q201 A207 H208H170-D204 IonicContact CE1-OD2 2.82Å; H170-D204 PolarHBondContact CE1-OD2 2.84Å; H170-D204 IonicContact CG-OD2 3.14Å; H170-D204 IonicContact ND1-OD1 2.65Å; H170-D204 IonicContact ND1-OD2 3.29Å; H170-D204 PolarHBondContact ND1-OD2 2.74Å; Y171-D204 HydrophobicContact CD2-CB 3.61Å; Y171-D204 HydrophobicContact CE2-CB 4.45Å; Y171-D204 HydrophobicContact CG-CB 4.2Å; Y195-D204 HydrophobicContact CE1-CB 3.69Å; Y195-D204 WeakPolarHBondContact CE1-OD2 3.29Å; Y195-D204 PolarHBondContact OH-OD2 2.88Å; C200-D204 WeakPolarHBondContact O-CB 3.47Å; C200-D204 PolarHBondContact O-N 2.87Å; Q201-D204 PolarHBondContact O-N 3.43Å; D204-A207 PolarHBondContact O-N 3.18Å; D204-H208 PolarHBondContact O-N 3.12Å
205W93.3Very high89.8Confident104 Ų10479.5 Ų79.539%0.39438%0.378SS..Hα-helixtrans-50.5-42.7-173.8-177.7-118.8000115.1Q201 Q202 A207 H208 K209Q201-W205 WeakPolarHBondContact O-CB 3.17Å; Q201-W205 PolarHBondContact O-N 2.84Å; Q202-W205 WeakPolarHBondContact O-CB 3.32Å; Q202-W205 PolarHBondContact O-N 3.06Å; W205-A207 PolarHBondContact O-N 3.03Å; W205-H208 AromaticContact CE3-CD2 3.96Å; W205-H208 AromaticContact CZ3-CD2 3.89Å; W205-H208 PolarHBondContact O-N 2.95Å; W205-K209 HydrophobicContact CD2-CB 3.89Å; W205-K209 HydrophobicContact CE3-CB 4.03Å; W205-K209 HydrophobicContact CH2-CB 3.84Å; W205-K209 HydrophobicContact CZ2-CB 3.69Å; W205-K209 HydrophobicContact CZ3-CB 4.01Å; W205-K209 VanDerWaalsContact O-CB 3.25Å; W205-K209 WeakPolarHBondContact O-CB 3.45Å; W205-K209 WeakPolarHBondContact O-CG 3.44Å; W205-K209 PolarHBondContact O-N 3.18Å
206P92.1Very high88.2Confident74 Ų7488.6 Ų88.648%0.48142%0.417SS..Hα-helixtrans-56.6-34.4178.1-25.536.2000114R203R203-P206 WeakPolarHBondContact O-CD 3.27Å
207A88.4Confident86.4Confident56 Ų5698 Ų9846%0.46345%0.446SS..Hα-helixtrans-85.7-53.1175.600000111.1D204 W205 K209 K210D204-A207 PolarHBondContact O-N 3.18Å; W205-A207 PolarHBondContact O-N 3.03Å; A207-K209 VanDerWaalsContact C-N 3.32Å; A207-K209 PolarHBondContact O-N 3.18Å; A207-K210 WeakPolarHBondContact O-CB 3.26Å; A207-K210 PolarHBondContact O-N 3.03Å
208H89.9Confident84.3Confident6 Ų6103.1 Ų103.13%0.02847%0.473CS..Hα-helixtrans-57.8-39.5-175.5176.363.6000113.4C187 C190 D204 W205 K210 Q211 C212C187-H208 PolarHBondContact SG-NE2 3.25Å; C187-H208 VanDerWaalsContact SG-NE2 3.41Å; C190-H208 VanDerWaalsContact SG-CE1 3.6Å; D204-H208 PolarHBondContact O-N 3.12Å; W205-H208 AromaticContact CE3-CD2 3.96Å; W205-H208 AromaticContact CZ3-CD2 3.89Å; W205-H208 PolarHBondContact O-N 2.95Å; H208-K210 PolarHBondContact O-N 3.1Å; H208-Q211 CarbonylContact O-C 3.58Å; H208-Q211 WeakPolarHBondContact O-CG 3.26Å; H208-Q211 PolarHBondContact O-N 3.12Å; H208-C212 WeakPolarHBondContact NE2-CB 3.49Å; H208-C212 PolarHBondContact NE2-SG 3.34Å; H208-C212 WeakPolarHBondContact O-CB 3.33Å; H208-C212 PolarHBondContact O-N 3.14Å
209K91Very high82Confident108 Ų108107.4 Ų107.447%0.4749%0.49SS..Hα-helixtrans-58.5-24-177.173.3-172.5-179.3178.10113.9W205 A207 Q211W205-K209 HydrophobicContact CD2-CB 3.89Å; W205-K209 HydrophobicContact CE3-CB 4.03Å; W205-K209 HydrophobicContact CH2-CB 3.84Å; W205-K209 HydrophobicContact CZ2-CB 3.69Å; W205-K209 HydrophobicContact CZ3-CB 4.01Å; W205-K209 VanDerWaalsContact O-CB 3.25Å; W205-K209 WeakPolarHBondContact O-CB 3.45Å; W205-K209 WeakPolarHBondContact O-CG 3.44Å; W205-K209 PolarHBondContact O-N 3.18Å; A207-K209 VanDerWaalsContact C-N 3.32Å; A207-K209 PolarHBondContact O-N 3.18Å; K209-Q211 VanDerWaalsContact C-N 3.31Å
210K88.9Confident79.6Confident174 Ų174107.7 Ų107.776%0.75751%0.506SS*.Hα-helixtrans-68-32.8177.8-58.3179.6-176.6178.90112A207 H208A207-K210 WeakPolarHBondContact O-CB 3.26Å; A207-K210 PolarHBondContact O-N 3.03Å; H208-K210 PolarHBondContact O-N 3.1Å
211Q84.6Confident77.1Confident101 Ų101115.7 Ų115.747%0.47255%0.548SS..Hα-helixtrans-110.2-7.4-178.961.4178.714.400113.7H208 K209 R213H208-Q211 CarbonylContact O-C 3.58Å; H208-Q211 WeakPolarHBondContact O-CG 3.26Å; H208-Q211 PolarHBondContact O-N 3.12Å; K209-Q211 VanDerWaalsContact C-N 3.31Å; Q211-R213 PolarHBondContact O-N 3.11Å; Q211-R213 VanDerWaalsContact O-N 3.12Å
212C88.6Confident74.4Confident4 Ų4121.4 Ų121.43%0.02757%0.574CS.*  trans-71.1105.3-179.4-171.30000111.5R189 H208R189-C212 PolarHBondContact NH1-O 3.33Å; H208-C212 WeakPolarHBondContact NE2-CB 3.49Å; H208-C212 PolarHBondContact NE2-SG 3.34Å; H208-C212 WeakPolarHBondContact O-CB 3.33Å; H208-C212 PolarHBondContact O-N 3.14Å
213R87.4Confident71.8Confident200 Ų200120.1 Ų120.176%0.75558%0.581SS**  trans-117.3145.8177.4-61.4-177.1-176-142.11.8110.5C190 Q211 R215C190-R213 WeakPolarHBondContact CA-O 3.39Å; C190-R213 WeakPolarHBondContact CB-O 3.46Å; Q211-R213 PolarHBondContact O-N 3.11Å; Q211-R213 VanDerWaalsContact O-N 3.12Å; R213-R215 PolarHBondContact O-N 2.77Å
214E82.6Confident69Low161 Ų161123.1 Ų123.175%0.75260%0.599SS**  trans-65.8127.2177.4-171.2167.6-164.800110.1R189 K216R189-E214 WeakPolarHBondContact O-CA 3.29Å; E214-K216 PolarHBondContact O-N 2.77Å
215R72.5Confident66.7Low162 Ų162127.8 Ų127.861%0.61163%0.63SS**  trans-77.1113.6175.9-166.4171.6-174.5-170.3-0.5107.4C190 R213 R217C190-R215 WeakPolarHBondContact O-CB 3.24Å; R213-R215 PolarHBondContact O-N 2.77Å; R215-R217 PolarHBondContact O-N 3.44Å; R215-R217 VanDerWaalsContact O-N 3.12Å
216K57.8Low64.3Low190 Ų190132.6 Ų132.683%0.82666%0.657SS**  trans-55122.1168.7-72.3-174.2177.8-178.20107.1E214 V218E214-K216 PolarHBondContact O-N 2.77Å; K216-V218 PolarHBondContact O-N 3.1Å
217R53.1Low62Low241 Ų241144.1 Ų144.191%0.90969%0.691SS**  trans-55.1112170.5-78.3-178.5177.6176.8-1.2106.6R215 L219R215-R217 PolarHBondContact O-N 3.44Å; R215-R217 VanDerWaalsContact O-N 3.12Å; R217-L219 PolarHBondContact O-N 2.97Å; R217-L219 VanDerWaalsContact O-N 3.12Å
218V49.7Very low60.6Low130 Ų130148.5 Ų148.579%0.78870%0.702SS**  trans-64.8112.2160.6-179.80000103.4K216 A220K216-V218 PolarHBondContact O-N 3.1Å; V218-A220 PolarHBondContact O-N 3.23Å
219L42.2Very low59.1Low158 Ų158156 Ų15683%0.82774%0.737SS**  trans-50.5117.2169-77.4157.8000105.6R217 L221R217-L219 PolarHBondContact O-N 2.97Å; R217-L219 VanDerWaalsContact O-N 3.12Å; L219-L221 PolarHBondContact O-N 3.45Å
220A42.6Very low57.3Low87 Ų87158.7 Ų158.772%0.71975%0.752SS**  trans-54.4115.5172.500000106V218 E222V218-A220 PolarHBondContact O-N 3.23Å; A220-E222 PolarHBondContact O-N 3.39Å
221L41.8Very low55.5Low171 Ų171157.8 Ų157.890%0.89575%0.752SS**  trans-57.4103.3159.3-88.1147.8000104.2L219 S223L219-L221 PolarHBondContact O-N 3.45Å; L221-S223 PolarHBondContact O-N 3.2Å
222E37.2Very low53.7Low175 Ų175161.3 Ų161.382%0.81877%0.77SS**  trans-51.1113.9167.3-66.4179.5154.400105.6A220 E224A220-E222 PolarHBondContact O-N 3.39Å; E222-E224 PolarHBondContact O-N 3.13Å
223S40Very low51.3Low113 Ų113171.8 Ų171.879%0.7982%0.819SS**  trans-59.1105.6164.249.50000106L221L221-S223 PolarHBondContact O-N 3.2Å
224E33.4Very low48.7Very low163 Ų163169.8 Ų169.876%0.76282%0.824SS**PPolyproline II helixtrans-47.2132.4169.1-81.9-82.6122.600108.6E222 E226E222-E224 PolarHBondContact O-N 3.13Å; E224-E226 PolarHBondContact O-N 3.49Å
225P44.3Very low46.1Very low106 Ų106170.5 Ų170.569%0.68883%0.829SS**PPolyproline II helixtrans-65.4122.9177.425.9-30.4000108.9R227P225-R227 PolarHBondContact O-N 2.73Å
226E42.9Very low43.9Very low204 Ų204171.2 Ų171.295%0.95385%0.847SS**PPolyproline II helixtrans-49.5125.8173.4-68.5176.2151.100110.1E224E224-E226 PolarHBondContact O-N 3.49Å
227R42.4Very low42.7Very low316 Ų316169.5 Ų169.5100%1.19285%0.849SS**  trans-105.10166.1-76.6-168.7-158176.38110.2P225P225-R227 PolarHBondContact O-N 2.73Å

Retrieved 227 of 227 residues in 38.9 ms (Link to these results)

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