A0A087XVC2_POEFO Loading...

H(+)-transporting two-sector ATPase

Catalytic subunit of the V1 complex of vacuolar(H+)-ATPase (V-ATPase), a multisubunit enzyme composed of a peripheral complex (V1) that hydrolyzes ATP and a membrane integral complex (V0) that translocates protons. V-ATPase is responsible for acidifying and maintaining the pH of intracellular compartments and in some cell types, is targeted to the plasma membrane, where it is responsible for acidifying the extracellular environment. In aerobic conditions, involved in intracellular iron homeostasis, thus triggering the activity of Fe(2+) prolyl hydroxylase (PHD) enzymes, and leading to HIF1A hydroxylation and subsequent proteasomal degradation. May play a role in neurite development and synaptic connectivity.

AlphaFold DB , UniProt , Accession A0A087XVC2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 621 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
1K34.3Very low47.4Very low190 Ų19084.9 Ų84.983%0.82639%0.386SS*.  0104.20-75.1175.5178.1158.50107.6N176 E205K1-N176 PolarHBondContact NZ-OD1 2.83Å; K1-E205 WeakPolarHBondContact CD-OE1 3.45Å; K1-E205 WeakPolarHBondContact CE-OE1 3.42Å; K1-E205 IonicContact NZ-OE1 3.69Å; K1-E205 PolarHBondContact NZ-OE1 3.32Å; K1-E205 IonicContact NZ-OE2 2.73Å; K1-E205 PolarHBondContact NZ-OE2 2.6Å
2M35.2Very low48.2Very low117 Ų11787.2 Ų87.258%0.57640%0.404SS*.  trans-91.8114.1-175.2-77.3159.5156.100109.8K88M2-K88 PolarHBondContact O-NZ 3.05Å
3D42.7Very low49.2Very low31 Ų3183.6 Ų83.617%0.16639%0.388CS..  23.8119.1113.4-173.3-17000117.4S5 K6 R133D3-S5 WeakPolarHBondContact OD1-CA 3.49Å; D3-S5 WeakPolarHBondContact OD1-CB 3.49Å; D3-S5 PolarHBondContact OD1-N 3.19Å; D3-S5 PolarHBondContact OD1-OG 3.3Å; D3-S5 PolarHBondContact OD2-OG 2.89Å; D3-K6 HydrophobicContact CB-CB 4.15Å; D3-K6 HydrophobicContact CB-CD 4.24Å; D3-K6 HydrophobicContact CB-CG 4.29Å; D3-K6 PolarHBondContact O-N 3.36Å; D3-K6 PolarHBondContact OD1-N 3.41Å; D3-K6 WeakPolarHBondContact OD2-CD 3.45Å; D3-K6 WeakPolarHBondContact OD2-CE 3.22Å; D3-K6 WeakPolarHBondContact OD2-CG 3.29Å; D3-R133 VanDerWaalsContact CG-NH1 3.33Å; D3-R133 IonicContact OD1-CZ 2.72Å; D3-R133 IonicContact OD1-NH1 2.74Å; D3-R133 PolarHBondContact OD1-NH1 2.74Å; D3-R133 IonicContact OD1-NH2 3.03Å; D3-R133 PolarHBondContact OD1-NH2 2.77Å; D3-R133 IonicContact OD2-CZ 2.77Å; D3-R133 VanDerWaalsContact OD2-CZ 3.26Å; D3-R133 IonicContact OD2-NH1 2.77Å; D3-R133 PolarHBondContact OD2-NH1 3.23Å; D3-R133 IonicContact OD2-NH2 3.86Å; D3-R133 PolarHBondContact OD2-NH2 3.25Å
4M41.8Very low49.6Very low28 Ų2891.2 Ų91.214%0.13842%0.423CS..G310 helixtrans-74-21.4177.7-71-62.5-144.200114.3K6 L7 S91 E93 V212M4-K6 PolarHBondContact O-N 2.95Å; M4-L7 WeakPolarHBondContact O-CD1 3.37Å; M4-L7 WeakPolarHBondContact O-CG 3.28Å; M4-L7 PolarHBondContact O-N 3Å; M4-L7 HydrophobicContact SD-CD1 4.04Å; M4-L7 HydrophobicContact SD-CD2 4.35Å; M4-L7 HydrophobicContact SD-CG 4.3Å; M4-S91 WeakPolarHBondContact CE-O 3.43Å; M4-E93 HydrophobicContact CB-CG 4.31Å; M4-E93 WeakPolarHBondContact CB-OE1 3.18Å; M4-E93 HydrophobicContact CG-CG 4.03Å; M4-E93 PolarHBondContact N-OE1 3.18Å; M4-V212 HydrophobicContact CE-CG1 4.31Å
5S38.5Very low50.4Low37 Ų3796.1 Ų96.126%0.25944%0.436SS..G310 helixtrans-76.9-14.8173.481.90000112.4D3 R133D3-S5 WeakPolarHBondContact OD1-CA 3.49Å; D3-S5 WeakPolarHBondContact OD1-CB 3.49Å; D3-S5 PolarHBondContact OD1-N 3.19Å; D3-S5 PolarHBondContact OD1-OG 3.3Å; D3-S5 PolarHBondContact OD2-OG 2.89Å; S5-R133 PolarHBondContact OG-NH1 2.83Å; S5-R133 PolarHBondContact OG-NH2 3.43Å
6K45.8Very low51.1Low129 Ų129100 Ų10056%0.56146%0.456SS*.G310 helixtrans-105.528.6172.5-64.3-179.3-176.2177.30112.7D3 M4D3-K6 HydrophobicContact CB-CB 4.15Å; D3-K6 HydrophobicContact CB-CD 4.24Å; D3-K6 HydrophobicContact CB-CG 4.29Å; D3-K6 PolarHBondContact O-N 3.36Å; D3-K6 PolarHBondContact OD1-N 3.41Å; D3-K6 WeakPolarHBondContact OD2-CD 3.45Å; D3-K6 WeakPolarHBondContact OD2-CE 3.22Å; D3-K6 WeakPolarHBondContact OD2-CG 3.29Å; M4-K6 PolarHBondContact O-N 2.95Å
7L52Low52Low13 Ų1399.4 Ų99.47%0.06847%0.465CS..SBendtrans-58.1134.3161.6-74.3169000107.7M4 K9 L43 T86M4-L7 WeakPolarHBondContact O-CD1 3.37Å; M4-L7 WeakPolarHBondContact O-CG 3.28Å; M4-L7 PolarHBondContact O-N 3Å; M4-L7 HydrophobicContact SD-CD1 4.04Å; M4-L7 HydrophobicContact SD-CD2 4.35Å; M4-L7 HydrophobicContact SD-CG 4.3Å; L7-K9 PolarHBondContact O-N 3.41Å; L7-K9 VanDerWaalsContact O-N 3.13Å; L7-L43 HydrophobicContact CD1-CD2 4.32Å; L7-T86 HydrophobicContact CD2-CG2 3.9Å
8P52.7Low53.3Low33 Ų3396.6 Ų96.621%0.21445%0.452CS..PPolyproline II helixtrans-54.6126.5179.522.6-31.2000107.6E13 L84P8-E13 HydrophobicContact CB-CB 4.42Å; P8-L84 HydrophobicContact CB-CD2 4.07Å; P8-L84 HydrophobicContact CG-CD2 4.2Å; P8-L84 WeakPolarHBondContact O-CD2 3.42Å
9K60Low54.9Low87 Ų8792.7 Ų92.738%0.37843%0.434SS..PPolyproline II helixtrans-80156.4169.4-64.8-177.3178.7176.60107.6L7 R11 D12 E13 E50L7-K9 PolarHBondContact O-N 3.41Å; L7-K9 VanDerWaalsContact O-N 3.13Å; K9-R11 PolarHBondContact O-N 3.27Å; K9-D12 HydrophobicContact CB-CB 4.34Å; K9-D12 WeakPolarHBondContact CB-OD2 3.5Å; K9-D12 PolarHBondContact O-N 3.23Å; K9-E13 PolarHBondContact O-N 3.47Å; K9-E50 WeakPolarHBondContact CA-OE1 3.48Å; K9-E50 WeakPolarHBondContact CB-OE1 3.28Å
10I59.9Low56.7Low35 Ų3588.1 Ų88.118%0.17941%0.412CS..THydrogen-bonded Turntrans-56.7-28.4174.9-65.2175.9000110.5F19 G47 E50 P82 L84I10-F19 HydrophobicContact CB-CE1 4.32Å; I10-F19 HydrophobicContact CG1-CE1 4.29Å; I10-F19 HydrophobicContact CG2-CE1 3.93Å; I10-G47 WeakPolarHBondContact CD1-O 3.42Å; I10-E50 HydrophobicContact CB-CG 4.48Å; I10-E50 HydrophobicContact CD1-CG 3.7Å; I10-E50 HydrophobicContact CG1-CG 3.92Å; I10-E50 PolarHBondContact N-OE1 3.01Å; I10-P82 HydrophobicContact CD1-CB 4.43Å; I10-P82 HydrophobicContact CD1-CG 4.02Å; I10-P82 HydrophobicContact CG2-CB 4.44Å; I10-P82 HydrophobicContact CG2-CG 4.14Å; I10-L84 HydrophobicContact CG1-CB 4.03Å; I10-L84 HydrophobicContact CG1-CD2 4.22Å
11R58.4Low58.4Low234 Ų23489 Ų8988%0.88341%0.413SS*.THydrogen-bonded Turntrans-78.6-19.5176.6-60-176.6-178.2-1760.3114.9K9K9-R11 PolarHBondContact O-N 3.27Å
12D57.7Low61.2Low112 Ų11280.1 Ų80.160%0.59937%0.374SS*.THydrogen-bonded Turntrans-101.4-10.6-171.9-60.8-25.2000112.5K9K9-D12 HydrophobicContact CB-CB 4.34Å; K9-D12 WeakPolarHBondContact CB-OD2 3.5Å; K9-D12 PolarHBondContact O-N 3.23Å
13E60.1Low64Low41 Ų4179.9 Ų79.919%0.19237%0.371CS..  trans-109.8112.6-178.3-169.769.4-146.200110.9P8 K9 R15 Q18 F19 L84P8-E13 HydrophobicContact CB-CB 4.42Å; K9-E13 PolarHBondContact O-N 3.47Å; E13-R15 WeakPolarHBondContact OE1-CD 3.41Å; E13-Q18 HydrophobicContact CG-CB 4.47Å; E13-Q18 PolarHBondContact OE1-NE2 3.07Å; E13-F19 HydrophobicContact CB-CE2 4.32Å; E13-F19 HydrophobicContact CB-CZ 4.01Å; E13-F19 HydrophobicContact CG-CE2 4.29Å; E13-F19 HydrophobicContact CG-CZ 4.4Å; E13-F19 VanDerWaalsContact O-CE2 3.25Å; E13-F19 WeakPolarHBondContact O-CE2 3.44Å; E13-F19 VanDerWaalsContact O-CZ 3.28Å; E13-F19 WeakPolarHBondContact O-CZ 3.38Å; E13-L84 HydrophobicContact CB-CD1 4.26Å; E13-L84 HydrophobicContact CG-CD1 4.14Å
14E55Low66.3Low190 Ų19079.5 Ų79.589%0.88838%0.375SS*.  trans-88.8-5.9-179.4-66-176.3161.600113.4E16E14-E16 PolarHBondContact O-N 2.99Å
15R61.8Low68.5Low164 Ų16480.6 Ų80.662%0.61938%0.383SS*.  trans-84.699.7-175-65-178.3-177.6178.93.5111.3E13 S17 Q18 F19E13-R15 WeakPolarHBondContact OE1-CD 3.41Å; R15-S17 PolarHBondContact O-N 3.42Å; R15-Q18 HydrophobicContact CB-CG 4.34Å; R15-Q18 PolarHBondContact O-N 3.45Å; R15-F19 WeakPolarHBondContact O-CD2 3.35Å
16E61.3Low70.7Confident159 Ų15982.3 Ų82.374%0.74340%0.395SS*.G310 helixtrans-47.9-35.4174.4-71-173.916500113.3E14 Q18 F19E14-E16 PolarHBondContact O-N 2.99Å; E16-Q18 PolarHBondContact O-N 3.09Å; E16-Q18 VanDerWaalsContact O-N 3.09Å; E16-F19 PolarHBondContact O-N 3.42Å; E16-F19 VanDerWaalsContact O-N 3.11Å
17S67.2Low72.5Confident89 Ų8976.3 Ų76.362%0.62237%0.37SS*.G310 helixtrans-59-21.2177.762.50000115.3R15 R85R15-S17 PolarHBondContact O-N 3.42Å; S17-R85 PolarHBondContact O-NH2 3.42Å
18Q75.1Confident74.1Confident49 Ų4977.1 Ų77.123%0.22938%0.376CS..G310 helixtrans-89.1-13.9-179.6-68.5-169.231.100113.3E13 R15 E16 L84 R85E13-Q18 HydrophobicContact CG-CB 4.47Å; E13-Q18 PolarHBondContact OE1-NE2 3.07Å; R15-Q18 HydrophobicContact CB-CG 4.34Å; R15-Q18 PolarHBondContact O-N 3.45Å; E16-Q18 PolarHBondContact O-N 3.09Å; E16-Q18 VanDerWaalsContact O-N 3.09Å; Q18-L84 HydrophobicContact CB-CD1 4.26Å; Q18-R85 PolarHBondContact O-NE 2.86Å; Q18-R85 VanDerWaalsContact O-NE 3.14Å
19F84.4Confident75.8Confident24 Ų2476.3 Ų76.311%0.10537%0.37CS..EExtended strand (participates in β ladder)trans-90.7132.2-179.4-64.8-82.7000111.2I10 E13 R15 E16 P82 V83 L84I10-F19 HydrophobicContact CB-CE1 4.32Å; I10-F19 HydrophobicContact CG1-CE1 4.29Å; I10-F19 HydrophobicContact CG2-CE1 3.93Å; E13-F19 HydrophobicContact CB-CE2 4.32Å; E13-F19 HydrophobicContact CB-CZ 4.01Å; E13-F19 HydrophobicContact CG-CE2 4.29Å; E13-F19 HydrophobicContact CG-CZ 4.4Å; E13-F19 VanDerWaalsContact O-CE2 3.25Å; E13-F19 WeakPolarHBondContact O-CE2 3.44Å; E13-F19 VanDerWaalsContact O-CZ 3.28Å; E13-F19 WeakPolarHBondContact O-CZ 3.38Å; R15-F19 WeakPolarHBondContact O-CD2 3.35Å; E16-F19 PolarHBondContact O-N 3.42Å; E16-F19 VanDerWaalsContact O-N 3.11Å; F19-P82 HydrophobicContact CD1-CB 4.24Å; F19-V83 CarbonylContact C-O 3.54Å; F19-V83 WeakPolarHBondContact CA-O 3.42Å; F19-L84 HydrophobicContact CD1-CB 4.18Å; F19-L84 HydrophobicContact CD1-CD1 4.22Å; F19-L84 HydrophobicContact CE1-CB 4Å; F19-L84 HydrophobicContact CE1-CD1 3.86Å; F19-L84 HydrophobicContact CE1-CG 4.36Å; F19-L84 HydrophobicContact CZ-CD1 4.12Å
20G89.8Confident77.3Confident0 Ų072.1 Ų72.10%035%0.352CS..EExtended strand (participates in β ladder)trans-98.5177.7156.100000111T33 V83G20-T33 CarbonylContact C-O 3.58Å; G20-T33 VanDerWaalsContact CA-O 3.24Å; G20-T33 WeakPolarHBondContact CA-O 3.43Å; G20-V83 PolarHBondContact N-O 3.04Å; G20-V83 PolarHBondContact O-N 3.45Å
21Y92.8Very high78.8Confident107 Ų10772.3 Ų72.342%0.4236%0.355SS..EExtended strand (participates in β ladder)trans-130.1138.2178-62-80.3000110.7H23 A32 T33 A34 D81Y21-H23 PolarHBondContact O-N 3.43Å; Y21-A32 CarbonylContact O-C 3.48Å; Y21-A32 WeakPolarHBondContact O-CA 3.38Å; Y21-T33 PolarHBondContact N-O 3.01Å; Y21-T33 PolarHBondContact O-N 2.96Å; Y21-T33 PolarHBondContact O-OG1 3.45Å; Y21-A34 HydrophobicContact CD2-CB 4.4Å; Y21-D81 WeakPolarHBondContact CA-O 3.27Å
22V94.1Very high80.5Confident3 Ų361.2 Ų61.22%0.01831%0.313CS..EExtended strand (participates in β ladder)trans-63.6122.1176.41760000109.7V25 V30 V46 V77 V79 G80 D81 V83V22-V25 HydrophobicContact CG1-CG2 3.68Å; V22-V30 HydrophobicContact CB-CG1 4.41Å; V22-V30 HydrophobicContact CG1-CG1 3.81Å; V22-V30 HydrophobicContact CG2-CG1 3.87Å; V22-V46 HydrophobicContact CG2-CG1 4.01Å; V22-V77 HydrophobicContact CB-CG1 4.41Å; V22-V77 HydrophobicContact CG1-CG1 4.11Å; V22-V77 HydrophobicContact CG2-CG1 3.76Å; V22-V79 WeakPolarHBondContact O-CG1 3.46Å; V22-G80 PolarHBondContact O-N 3.23Å; V22-D81 HydrophobicContact CB-CB 4.26Å; V22-D81 HydrophobicContact CG2-CB 3.92Å; V22-D81 WeakPolarHBondContact CG2-O 3.49Å; V22-D81 PolarHBondContact N-O 3.17Å; V22-V83 HydrophobicContact CG2-CG2 3.61Å
23H93.4Very high82.3Confident112 Ų11257.8 Ų57.852%0.51930%0.296SS..EExtended strand (participates in β ladder)trans-94.3-37.8175.5-177.571.5000111.9Y21 T31 T33Y21-H23 PolarHBondContact O-N 3.43Å; H23-T31 WeakPolarHBondContact CA-O 3.45Å; H23-T31 WeakPolarHBondContact CB-O 3.48Å; H23-T31 PolarHBondContact N-O 3.45Å; H23-T33 HydrophobicContact CB-CG2 3.75Å
24G89.5Confident83.8Confident23 Ų2357.7 Ų57.724%0.23730%0.302CS..EExtended strand (participates in β ladder)trans-161.6153179.300000112.6T31G24-T31 PolarHBondContact N-O 3.36Å; G24-T31 VanDerWaalsContact N-O 3.17Å; G24-T31 PolarHBondContact O-N 3.47Å
25V89.1Confident85.4Confident52 Ų5248.8 Ų48.832%0.31526%0.261SS..EExtended strand (participates in β ladder)trans-127.8129.2-179.6-1790000108.7V22 V30 V77V22-V25 HydrophobicContact CG1-CG2 3.68Å; V25-V30 HydrophobicContact CG1-CG2 4.21Å; V25-V30 HydrophobicContact CG2-CG1 4.3Å; V25-V30 HydrophobicContact CG2-CG2 4.19Å; V25-V77 HydrophobicContact CG2-CB 4.14Å; V25-V77 HydrophobicContact CG2-CG1 3.89Å
26S84.9Confident86.6Confident73 Ų7344.1 Ų44.151%0.5126%0.257SS..EExtended strand (participates in β ladder)trans-138.595.3175.1-169.30000109.9V29S26-V29 PolarHBondContact N-O 2.95Å; S26-V29 PolarHBondContact O-N 2.91Å; S26-V29 VanDerWaalsContact O-N 3.15Å
27G84.1Confident87.8Confident3 Ų340.3 Ų40.33%0.03126%0.261CS..THydrogen-bonded Turntrans56.3-132.5-172.500000111.7V29 T71 E72G27-V29 PolarHBondContact O-N 3.23Å; G27-T71 PolarHBondContact O-OG1 3.05Å; G27-E72 WeakPolarHBondContact CA-OE1 3.39Å; G27-E72 PolarHBondContact N-OE1 3.11Å
28P84.1Confident88.8Confident29 Ų2936.8 Ų36.819%0.18824%0.237CC..THydrogen-bonded Turntrans-73.8-5.8-178.331.9-35.5000113.7V67P28-V67 PolarHBondContact O-N 3.41Å
29V88.6Confident89.6Confident16 Ų1637 Ų3710%0.09725%0.247CC..EExtended strand (participates in β ladder)trans-100.5125.3-178.2-1770000109.8S26 G27 T64 I65 R368S26-V29 PolarHBondContact N-O 2.95Å; S26-V29 PolarHBondContact O-N 2.91Å; S26-V29 VanDerWaalsContact O-N 3.15Å; G27-V29 PolarHBondContact O-N 3.23Å; V29-T64 HydrophobicContact CG1-CG2 3.32Å; V29-I65 WeakPolarHBondContact CA-O 3.38Å; V29-R368 HydrophobicContact CG2-CB 3.91Å
30V91.4Very high89.9Confident0 Ų041 Ų410%027%0.267CS..EExtended strand (participates in β ladder)trans-118.6128.4178.1178.40000108.8V22 V25 V46 I65 V67 T71V22-V30 HydrophobicContact CB-CG1 4.41Å; V22-V30 HydrophobicContact CG1-CG1 3.81Å; V22-V30 HydrophobicContact CG2-CG1 3.87Å; V25-V30 HydrophobicContact CG1-CG2 4.21Å; V25-V30 HydrophobicContact CG2-CG1 4.3Å; V25-V30 HydrophobicContact CG2-CG2 4.19Å; V30-V46 HydrophobicContact CG1-CG1 4.13Å; V30-I65 HydrophobicContact CB-CB 4.47Å; V30-I65 PolarHBondContact N-O 2.89Å; V30-I65 WeakPolarHBondContact O-CA 3.45Å; V30-I65 WeakPolarHBondContact O-CB 3.19Å; V30-I65 PolarHBondContact O-N 2.7Å; V30-V67 HydrophobicContact CB-CG2 4.2Å; V30-V67 HydrophobicContact CG2-CG2 3.54Å; V30-T71 HydrophobicContact CG2-CG2 4.19Å
31T92.9Very high89.9Confident39 Ų3944.9 Ų44.924%0.23928%0.282CS..EExtended strand (participates in β ladder)trans-98.1125.4172.5-56.50000108.6H23 G24 M62 A63H23-T31 WeakPolarHBondContact CA-O 3.45Å; H23-T31 WeakPolarHBondContact CB-O 3.48Å; H23-T31 PolarHBondContact N-O 3.45Å; G24-T31 PolarHBondContact N-O 3.36Å; G24-T31 VanDerWaalsContact N-O 3.17Å; G24-T31 PolarHBondContact O-N 3.47Å; T31-M62 HydrophobicContact CG2-CB 4.46Å; T31-M62 HydrophobicContact CG2-SD 4.36Å; T31-A63 WeakPolarHBondContact CA-O 3.47Å
32A94.2Very high89.8Confident0 Ų040.2 Ų40.20%027%0.265CS..EExtended strand (participates in β ladder)trans-117.7141.217700000111.5Y21 M35 M62 A63 I65 V83Y21-A32 CarbonylContact O-C 3.48Å; Y21-A32 WeakPolarHBondContact O-CA 3.38Å; A32-M35 HydrophobicContact CB-CG 3.87Å; A32-M35 HydrophobicContact CB-SD 4.35Å; A32-M62 CarbonylContact O-C 3.59Å; A32-M62 VanDerWaalsContact O-CA 3.3Å; A32-M62 WeakPolarHBondContact O-CA 3.27Å; A32-A63 PolarHBondContact N-O 3.09Å; A32-A63 PolarHBondContact O-N 3.06Å; A32-I65 HydrophobicContact CB-CD1 3.63Å; A32-V83 HydrophobicContact CB-CB 4.4Å; A32-V83 HydrophobicContact CB-CG2 3.93Å
33T94.3Very high89.7Confident41 Ų4140.5 Ų40.525%0.25227%0.266SS..EExtended strand (participates in β ladder)trans-100.4167.4174.247.70000110.9G20 Y21 H23 M35 M62G20-T33 CarbonylContact C-O 3.58Å; G20-T33 VanDerWaalsContact CA-O 3.24Å; G20-T33 WeakPolarHBondContact CA-O 3.43Å; Y21-T33 PolarHBondContact N-O 3.01Å; Y21-T33 PolarHBondContact O-N 2.96Å; Y21-T33 PolarHBondContact O-OG1 3.45Å; H23-T33 HydrophobicContact CB-CG2 3.75Å; T33-M35 VanDerWaalsContact C-N 3.29Å; T33-M35 PolarHBondContact O-N 3.43Å; T33-M62 HydrophobicContact CG2-CG 3.79Å; T33-M62 HydrophobicContact CG2-SD 4.24Å
34A91.5Very high89.6Confident38 Ų3835.2 Ų35.231%0.31424%0.241SC..SBendtrans6137.3-176.700000112.8Y21 D61Y21-A34 HydrophobicContact CD2-CB 4.4Å; A34-D61 WeakPolarHBondContact CA-OD1 3.48Å; A34-D61 VanDerWaalsContact CA-OD2 3.25Å; A34-D61 WeakPolarHBondContact CA-OD2 3.49Å; A34-D61 PolarHBondContact N-O 2.91Å; A34-D61 PolarHBondContact N-OD2 3.16Å; A34-D61 VanDerWaalsContact N-OD2 3.11Å
35M89.6Confident89.7Confident4 Ų434.6 Ų34.62%0.0223%0.232CC..  trans-10219-177.7-67.7-68.9-72.900112.6A32 T33 G37 A38 V44 I55 D61 A63 I65 V83 R85A32-M35 HydrophobicContact CB-CG 3.87Å; A32-M35 HydrophobicContact CB-SD 4.35Å; T33-M35 VanDerWaalsContact C-N 3.29Å; T33-M35 PolarHBondContact O-N 3.43Å; M35-G37 PolarHBondContact O-N 2.74Å; M35-A38 HydrophobicContact CB-CB 4.47Å; M35-A38 HydrophobicContact CE-CB 4.23Å; M35-A38 VanDerWaalsContact O-CB 3.23Å; M35-A38 WeakPolarHBondContact O-CB 3.33Å; M35-A38 PolarHBondContact O-N 3.13Å; M35-V44 HydrophobicContact CE-CG1 4.04Å; M35-I55 HydrophobicContact CE-CD1 3.75Å; M35-D61 PolarHBondContact N-O 3.34Å; M35-D61 VanDerWaalsContact N-O 3.14Å; M35-D61 PolarHBondContact N-OD1 2.97Å; M35-D61 VanDerWaalsContact N-OD1 3.17Å; M35-A63 HydrophobicContact CB-CB 3.69Å; M35-A63 HydrophobicContact CE-CB 4.25Å; M35-A63 HydrophobicContact CG-CB 3.84Å; M35-I65 HydrophobicContact CE-CD1 4.37Å; M35-V83 HydrophobicContact CE-CG1 4.04Å; M35-V83 HydrophobicContact SD-CB 4.4Å; M35-V83 HydrophobicContact SD-CG1 4.13Å; M35-R85 HydrophobicContact CE-CG 3.63Å; M35-R85 HydrophobicContact SD-CG 4.11Å
36A86.7Confident89.7Confident66 Ų6632.1 Ų32.155%0.54522%0.217SC..THydrogen-bonded Turntrans-51.4124.1175.700000112.9D61 R85A36-D61 WeakPolarHBondContact CB-OD1 3.28Å; A36-D61 PolarHBondContact N-OD1 3.22Å; A36-R85 PolarHBondContact O-NH1 3.32Å; A36-R85 PolarHBondContact O-NH2 3.02Å
37G85.5Confident89.9Confident79 Ų7928.7 Ų28.781%0.81419%0.193SC*.THydrogen-bonded Turntrans89.36.3-178.400000114.8M35 R85M35-G37 PolarHBondContact O-N 2.74Å; G37-R85 PolarHBondContact O-NH1 3.33Å
38A89.4Confident90Very high14 Ų1435.4 Ų35.412%0.11622%0.223CC..PPolyproline II helixtrans-75.6146.7169.900000111.1M35 E42 I55 L58M35-A38 HydrophobicContact CB-CB 4.47Å; M35-A38 HydrophobicContact CE-CB 4.23Å; M35-A38 VanDerWaalsContact O-CB 3.23Å; M35-A38 WeakPolarHBondContact O-CB 3.33Å; M35-A38 PolarHBondContact O-N 3.13Å; A38-E42 WeakPolarHBondContact CA-OE2 3.31Å; A38-I55 HydrophobicContact CB-CD1 3.48Å; A38-I55 VanDerWaalsContact CB-CD1 3.48Å; A38-L58 HydrophobicContact CB-CD2 4.37Å; A38-L58 WeakPolarHBondContact O-CD1 3.23Å
39A90.9Very high90Very high53 Ų5336.8 Ų36.844%0.43823%0.234SC..PPolyproline II helixtrans-97.2153.6177.400000112E42A39-E42 HydrophobicContact CB-CB 4.25Å; A39-E42 PolarHBondContact N-OE2 3.06Å; A39-E42 WeakPolarHBondContact O-CB 3.37Å; A39-E42 PolarHBondContact O-N 3.16Å
40M91.1Very high89.9Confident110 Ų11037.1 Ų37.154%0.54223%0.234SC..THydrogen-bonded Turntrans-65.9138.6170.3-172.1-176.9-84.600109.8E42M40-E42 PolarHBondContact O-N 3.27Å
41Y89.7Confident89.9Confident80 Ų8037.4 Ų37.431%0.31424%0.236SC..THydrogen-bonded Turntrans63.217.4-173.5-53.1-61000115.2E54 I55 P89 R385Y41-E54 HydrophobicContact CD1-CG 4.49Å; Y41-I55 WeakPolarHBondContact CA-O 3.42Å; Y41-I55 PolarHBondContact N-O 2.89Å; Y41-P89 VanDerWaalsContact O-CA 3.28Å; Y41-P89 WeakPolarHBondContact O-CA 3.18Å; Y41-R385 PolarHBondContact OH-NH2 2.86Å
42E91.3Very high89.7Confident10 Ų1036 Ų365%0.04723%0.227CC..EExtended strand (participates in β ladder)trans-74141.1172.3-165.8-170.6144.700110.8A38 A39 M40 E54 I55 R85 T86 G87A38-E42 WeakPolarHBondContact CA-OE2 3.31Å; A39-E42 HydrophobicContact CB-CB 4.25Å; A39-E42 PolarHBondContact N-OE2 3.06Å; A39-E42 WeakPolarHBondContact O-CB 3.37Å; A39-E42 PolarHBondContact O-N 3.16Å; M40-E42 PolarHBondContact O-N 3.27Å; E42-E54 WeakPolarHBondContact O-CA 3.16Å; E42-I55 HydrophobicContact CB-CD1 4.21Å; E42-I55 PolarHBondContact O-N 3.47Å; E42-R85 WeakPolarHBondContact OE1-CB 3.42Å; E42-T86 PolarHBondContact OE1-N 3.34Å; E42-G87 VanDerWaalsContact OE1-CA 3.24Å; E42-G87 WeakPolarHBondContact OE1-CA 3.44Å; E42-G87 PolarHBondContact OE1-N 3.32Å
43L91.3Very high89.6Confident9 Ų936 Ų365%0.04723%0.227CC..EExtended strand (participates in β ladder)trans-80.3137.5174.8-167.6145000110L7 V52 G53 T86 K88 L90L7-L43 HydrophobicContact CD1-CD2 4.32Å; L43-V52 HydrophobicContact CD1-CG1 3.75Å; L43-V52 HydrophobicContact CD2-CG1 4Å; L43-V52 HydrophobicContact CG-CG1 3.86Å; L43-G53 CarbonylContact C-O 3.57Å; L43-G53 WeakPolarHBondContact CA-O 3.3Å; L43-T86 HydrophobicContact CD2-CG2 3.73Å; L43-T86 WeakPolarHBondContact O-CB 3.34Å; L43-T86 WeakPolarHBondContact O-CG2 3.5Å; L43-T86 PolarHBondContact O-N 3.02Å; L43-T86 PolarHBondContact O-OG1 3.5Å; L43-K88 WeakPolarHBondContact CB-O 3.46Å; L43-K88 PolarHBondContact N-O 3.44Å; L43-L90 HydrophobicContact CD1-CB 4.32Å; L43-L90 HydrophobicContact CD1-CD1 3.7Å
44V91.6Very high89.4Confident0 Ų034 Ų340%022%0.215CC..EExtended strand (participates in β ladder)trans-132.1157.8-179.6-640000110.5M35 V46 G53 I55 I65 V83 L84 R85M35-V44 HydrophobicContact CE-CG1 4.04Å; V44-V46 HydrophobicContact CG2-CG2 3.95Å; V44-G53 PolarHBondContact N-O 3.39Å; V44-G53 PolarHBondContact O-N 3.46Å; V44-I55 HydrophobicContact CG1-CD1 3.74Å; V44-I55 HydrophobicContact CG1-CG1 3.79Å; V44-I65 HydrophobicContact CG2-CB 4.41Å; V44-I65 HydrophobicContact CG2-CD1 4.06Å; V44-I65 HydrophobicContact CG2-CG1 4.08Å; V44-I65 HydrophobicContact CG2-CG2 3.42Å; V44-I65 VanDerWaalsContact CG2-CG2 3.42Å; V44-V83 HydrophobicContact CB-CG1 4.03Å; V44-V83 HydrophobicContact CG1-CG1 4.48Å; V44-V83 HydrophobicContact CG2-CG1 4.31Å; V44-L84 CarbonylContact C-O 3.56Å; V44-L84 VanDerWaalsContact CA-O 3.26Å; V44-L84 WeakPolarHBondContact CA-O 3.39Å; V44-L84 WeakPolarHBondContact CB-O 3.5Å; V44-R85 HydrophobicContact CG1-CG 4.32Å
45R90.6Very high89.5Confident10 Ų1032.2 Ų32.24%0.03820%0.2CC..EExtended strand (participates in β ladder)trans-109.8114173.2-63.5-66.8-171.9157.5-1.6108.5E50 L51 V52 V83 L84 N127R45-E50 HydrophobicContact CB-CB 4.26Å; R45-E50 WeakPolarHBondContact CD-O 3.4Å; R45-E50 PolarHBondContact NH1-O 3.27Å; R45-E50 VanDerWaalsContact NH1-O 3.1Å; R45-L51 CarbonylContact C-O 3.58Å; R45-L51 WeakPolarHBondContact CA-O 3.39Å; R45-V52 VanDerWaalsContact NH1-CG2 3.31Å; R45-V83 CarbonylContact O-C 3.57Å; R45-V83 WeakPolarHBondContact O-CA 3.41Å; R45-L84 HydrophobicContact CB-CB 4.26Å; R45-L84 PolarHBondContact N-O 3.49Å; R45-L84 PolarHBondContact O-N 3.15Å; R45-N127 PolarHBondContact NH2-OD1 2.77Å
46V90.7Very high89.5Confident0 Ų033.3 Ų33.30%021%0.206CC..EExtended strand (participates in β ladder)trans-105.5132.1-173.2-177.90000110.2V22 V30 V44 L51 I65 V67 V77 V83V22-V46 HydrophobicContact CG2-CG1 4.01Å; V30-V46 HydrophobicContact CG1-CG1 4.13Å; V44-V46 HydrophobicContact CG2-CG2 3.95Å; V46-L51 PolarHBondContact N-O 3.48Å; V46-L51 WeakPolarHBondContact O-CB 3.43Å; V46-L51 PolarHBondContact O-N 3.27Å; V46-I65 HydrophobicContact CG2-CD1 4.39Å; V46-I65 HydrophobicContact CG2-CG2 4.01Å; V46-V67 HydrophobicContact CG2-CG2 4.29Å; V46-V77 HydrophobicContact CG1-CG1 3.87Å; V46-V77 HydrophobicContact CG1-CG2 4.25Å; V46-V83 HydrophobicContact CG1-CG2 4.23Å; V46-V83 HydrophobicContact CG2-CG1 4.17Å; V46-V83 HydrophobicContact CG2-CG2 4.43Å
47G88.4Confident89.7Confident2 Ų235 Ų352%0.02120%0.198CC..THydrogen-bonded Turntrans82.7168.5173.400000113.9I10 S49 E50 P82I10-G47 WeakPolarHBondContact CD1-O 3.42Å; G47-S49 PolarHBondContact O-N 2.81Å; G47-E50 PolarHBondContact O-N 3.44Å; G47-P82 PolarHBondContact N-O 3.33Å
48H85.7Confident90Very high143 Ų14334.5 Ų34.566%0.66218%0.176SC*.THydrogen-bonded Turntrans-62.7-24.1176.3-65.7-57.3000113.8E50 D81H48-E50 VanDerWaalsContact C-N 3.29Å; H48-D81 IonicContact CD2-OD1 3.63Å; H48-D81 IonicContact NE2-OD1 3.61Å
49S84.3Confident90.1Very high59 Ų5938.4 Ų38.441%0.41319%0.192SC..THydrogen-bonded Turntrans-84.61.3174.5-55.60000113.1G47 L51 G125G47-S49 PolarHBondContact O-N 2.81Å; S49-L51 VanDerWaalsContact C-N 3.33Å; S49-L51 PolarHBondContact O-N 3.49Å; S49-G125 WeakPolarHBondContact O-CA 3.48Å
50E87.8Confident90.1Very high22 Ų2239.9 Ų39.910%0.10321%0.213CC..THydrogen-bonded Turntrans54.844.5176.8-60.5-177.5174.800114K9 I10 R45 G47 H48 V52K9-E50 WeakPolarHBondContact CA-OE1 3.48Å; K9-E50 WeakPolarHBondContact CB-OE1 3.28Å; I10-E50 HydrophobicContact CB-CG 4.48Å; I10-E50 HydrophobicContact CD1-CG 3.7Å; I10-E50 HydrophobicContact CG1-CG 3.92Å; I10-E50 PolarHBondContact N-OE1 3.01Å; R45-E50 HydrophobicContact CB-CB 4.26Å; R45-E50 WeakPolarHBondContact CD-O 3.4Å; R45-E50 PolarHBondContact NH1-O 3.27Å; R45-E50 VanDerWaalsContact NH1-O 3.1Å; G47-E50 PolarHBondContact O-N 3.44Å; H48-E50 VanDerWaalsContact C-N 3.29Å; E50-V52 PolarHBondContact O-N 3Å
51L90.1Very high90.1Very high7 Ų738.3 Ų38.34%0.03721%0.207CC..EExtended strand (participates in β ladder)trans-60.8135.5178.5-53.7-177.8000109.8R45 V46 S49 G53 V67 E69 V77 R124R45-L51 CarbonylContact C-O 3.58Å; R45-L51 WeakPolarHBondContact CA-O 3.39Å; V46-L51 PolarHBondContact N-O 3.48Å; V46-L51 WeakPolarHBondContact O-CB 3.43Å; V46-L51 PolarHBondContact O-N 3.27Å; S49-L51 VanDerWaalsContact C-N 3.33Å; S49-L51 PolarHBondContact O-N 3.49Å; L51-G53 PolarHBondContact O-N 2.93Å; L51-V67 HydrophobicContact CB-CG1 3.84Å; L51-V67 HydrophobicContact CD1-CG1 4.2Å; L51-E69 HydrophobicContact CB-CB 4.41Å; L51-E69 HydrophobicContact CD2-CB 4.14Å; L51-E69 WeakPolarHBondContact CD2-OE2 3.35Å; L51-V77 HydrophobicContact CD1-CG2 3.61Å; L51-R124 HydrophobicContact CD2-CB 4.04Å
52V90.1Very high90.2Very high8 Ų838 Ų385%0.04821%0.209CC..EExtended strand (participates in β ladder)trans-73.7126178.7-171.30000109.4L43 R45 E50 Y68 I106L43-V52 HydrophobicContact CD1-CG1 3.75Å; L43-V52 HydrophobicContact CD2-CG1 4Å; L43-V52 HydrophobicContact CG-CG1 3.86Å; R45-V52 VanDerWaalsContact NH1-CG2 3.31Å; E50-V52 PolarHBondContact O-N 3Å; V52-Y68 HydrophobicContact CB-CD2 4.39Å; V52-Y68 HydrophobicContact CG1-CD2 3.88Å; V52-Y68 HydrophobicContact CG1-CE2 4.5Å; V52-Y68 PolarHBondContact O-N 3.49Å; V52-I106 HydrophobicContact CB-CD1 4.31Å; V52-I106 HydrophobicContact CG2-CD1 4Å
53G90.5Very high90.4Very high0 Ų037.5 Ų37.50%021%0.207CC..EExtended strand (participates in β ladder)trans-134167.4171.500000112.9L43 V44 L51 Q66L43-G53 CarbonylContact C-O 3.57Å; L43-G53 WeakPolarHBondContact CA-O 3.3Å; V44-G53 PolarHBondContact N-O 3.39Å; V44-G53 PolarHBondContact O-N 3.46Å; L51-G53 PolarHBondContact O-N 2.93Å; G53-Q66 CarbonylContact C-O 3.59Å; G53-Q66 WeakPolarHBondContact CA-O 3.5Å
54E91.3Very high90.4Very high1 Ų137.6 Ų37.61%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-127.6133.7177.4-174.9-178.2-143.900110Y41 E42 I65 Q66 Y68 R216Y41-E54 HydrophobicContact CD1-CG 4.49Å; E42-E54 WeakPolarHBondContact O-CA 3.16Å; E54-I65 CarbonylContact O-C 3.5Å; E54-I65 WeakPolarHBondContact O-CA 3.28Å; E54-Q66 PolarHBondContact N-O 3.4Å; E54-Q66 PolarHBondContact O-N 3.24Å; E54-Y68 HydrophobicContact CB-CE2 3.84Å; E54-Y68 WeakPolarHBondContact CB-OH 2.97Å; E54-Y68 PolarHBondContact OE2-OH 3.16Å; E54-R216 IonicContact OE1-CZ 3.76Å; E54-R216 IonicContact OE1-NE 3.88Å; E54-R216 PolarHBondContact OE1-NE 3.09Å; E54-R216 IonicContact OE1-NH2 2.73Å; E54-R216 PolarHBondContact OE1-NH2 3.46Å; E54-R216 IonicContact OE2-CZ 2.68Å; E54-R216 IonicContact OE2-NE 2.62Å; E54-R216 IonicContact OE2-NH2 3.55Å; E54-R216 PolarHBondContact OE2-NH2 2.85Å
55I92.8Very high90.5Very high0 Ų037.6 Ų37.60%021%0.208CC..EExtended strand (participates in β ladder)trans-74.9126176.5-61.2177.4000109.7M35 A38 Y41 E42 V44 L58 A63 I65M35-I55 HydrophobicContact CE-CD1 3.75Å; A38-I55 HydrophobicContact CB-CD1 3.48Å; A38-I55 VanDerWaalsContact CB-CD1 3.48Å; Y41-I55 WeakPolarHBondContact CA-O 3.42Å; Y41-I55 PolarHBondContact N-O 2.89Å; E42-I55 HydrophobicContact CB-CD1 4.21Å; E42-I55 PolarHBondContact O-N 3.47Å; V44-I55 HydrophobicContact CG1-CD1 3.74Å; V44-I55 HydrophobicContact CG1-CG1 3.79Å; I55-L58 HydrophobicContact CG2-CD2 3.85Å; I55-L58 HydrophobicContact CG2-CG 3.99Å; I55-A63 HydrophobicContact CD1-CB 4.47Å; I55-A63 HydrophobicContact CG2-CB 4.23Å; I55-I65 HydrophobicContact CG1-CG1 4.04Å
56I90.6Very high90.5Very high27 Ų2737.3 Ų37.314%0.13821%0.207CC..EExtended strand (participates in β ladder)trans-115-26.6-176.951.1166.3000113.4T64 Q66 L369I56-T64 HydrophobicContact CD1-CG2 4.07Å; I56-T64 HydrophobicContact CG1-CG2 4.11Å; I56-T64 WeakPolarHBondContact CG1-O 3.41Å; I56-T64 PolarHBondContact N-O 3.34Å; I56-Q66 HydrophobicContact CD1-CB 4.11Å; I56-Q66 HydrophobicContact CG1-CB 4.44Å; I56-Q66 HydrophobicContact CG2-CB 4.07Å; I56-L369 HydrophobicContact CD1-CD1 3.79Å; I56-L369 HydrophobicContact CD1-CD2 3.46Å; I56-L369 VanDerWaalsContact CD1-CD2 3.46Å; I56-L369 HydrophobicContact CD1-CG 4.1Å
57R90.5Very high90.5Very high101 Ų10137.3 Ų37.338%0.38121%0.207SC..EExtended strand (participates in β ladder)trans-143.4144.7178.5-161.1168.979.5-161.88.4110.5E59 A63 T64R57-E59 IonicContact CZ-OE1 3.61Å; R57-E59 IonicContact NE-OE1 2.64Å; R57-E59 PolarHBondContact NE-OE1 3.38Å; R57-E59 IonicContact NH2-OE1 2.67Å; R57-E59 PolarHBondContact NH2-OE1 3.42Å; R57-A63 WeakPolarHBondContact O-CA 3.42Å; R57-T64 PolarHBondContact N-O 2.65Å; R57-T64 PolarHBondContact O-N 3.11Å
58L92.3Very high90.4Very high68 Ų6837.5 Ų37.536%0.35621%0.207SC..EExtended strand (participates in β ladder)trans-127.7125177.6-69166.3000108.6A38 I55 A63A38-L58 HydrophobicContact CB-CD2 4.37Å; A38-L58 WeakPolarHBondContact O-CD1 3.23Å; I55-L58 HydrophobicContact CG2-CD2 3.85Å; I55-L58 HydrophobicContact CG2-CG 3.99Å; L58-A63 HydrophobicContact CD2-CB 3.65Å
59E91.5Very high90.4Very high96 Ų9631.3 Ų31.345%0.44918%0.178SC..EExtended strand (participates in β ladder)trans-130.294.6178.6-74.8178.3-152.300109.4R57 D61 M62R57-E59 IonicContact CZ-OE1 3.61Å; R57-E59 IonicContact NE-OE1 2.64Å; R57-E59 PolarHBondContact NE-OE1 3.38Å; R57-E59 IonicContact NH2-OE1 2.67Å; R57-E59 PolarHBondContact NH2-OE1 3.42Å; E59-D61 PolarHBondContact O-N 2.97Å; E59-D61 VanDerWaalsContact O-N 3.1Å; E59-M62 PolarHBondContact N-O 3.19Å; E59-M62 PolarHBondContact O-N 3.47Å
60G90.1Very high90.3Very high84 Ų8432.6 Ų32.687%0.86618%0.178SC*.THydrogen-bonded Turntrans62.1-113.2-17500000111.3
61D90.6Very high90Very high78 Ų7832 Ų3242%0.41718%0.175SC..THydrogen-bonded Turntrans-98.2-0.1178.1-171.343.5000113.4A34 M35 A36 E59A34-D61 WeakPolarHBondContact CA-OD1 3.48Å; A34-D61 VanDerWaalsContact CA-OD2 3.25Å; A34-D61 WeakPolarHBondContact CA-OD2 3.49Å; A34-D61 PolarHBondContact N-O 2.91Å; A34-D61 PolarHBondContact N-OD2 3.16Å; A34-D61 VanDerWaalsContact N-OD2 3.11Å; M35-D61 PolarHBondContact N-O 3.34Å; M35-D61 VanDerWaalsContact N-O 3.14Å; M35-D61 PolarHBondContact N-OD1 2.97Å; M35-D61 VanDerWaalsContact N-OD1 3.17Å; A36-D61 WeakPolarHBondContact CB-OD1 3.28Å; A36-D61 PolarHBondContact N-OD1 3.22Å; E59-D61 PolarHBondContact O-N 2.97Å; E59-D61 VanDerWaalsContact O-N 3.1Å
62M92.8Very high88.8Confident73 Ų7338.2 Ų38.236%0.3620%0.204SC..EExtended strand (participates in β ladder)trans-96.2137174.4-68-171.6-68.900111.2T31 A32 T33 E59T31-M62 HydrophobicContact CG2-CB 4.46Å; T31-M62 HydrophobicContact CG2-SD 4.36Å; A32-M62 CarbonylContact O-C 3.59Å; A32-M62 VanDerWaalsContact O-CA 3.3Å; A32-M62 WeakPolarHBondContact O-CA 3.27Å; T33-M62 HydrophobicContact CG2-CG 3.79Å; T33-M62 HydrophobicContact CG2-SD 4.24Å; E59-M62 PolarHBondContact N-O 3.19Å; E59-M62 PolarHBondContact O-N 3.47Å
63A94.1Very high87.1Confident0 Ų042.4 Ų42.40%023%0.226CC..EExtended strand (participates in β ladder)trans-117.2130.9171.700000110T31 A32 M35 I55 R57 L58T31-A63 WeakPolarHBondContact CA-O 3.47Å; A32-A63 PolarHBondContact N-O 3.09Å; A32-A63 PolarHBondContact O-N 3.06Å; M35-A63 HydrophobicContact CB-CB 3.69Å; M35-A63 HydrophobicContact CE-CB 4.25Å; M35-A63 HydrophobicContact CG-CB 3.84Å; I55-A63 HydrophobicContact CD1-CB 4.47Å; I55-A63 HydrophobicContact CG2-CB 4.23Å; R57-A63 WeakPolarHBondContact O-CA 3.42Å; L58-A63 HydrophobicContact CD2-CB 3.65Å
64T92.8Very high84.6Confident11 Ų1149 Ų497%0.06727%0.273CS..EExtended strand (participates in β ladder)trans-89.4121.2167.5-50.50000108.3V29 I56 R57 L369V29-T64 HydrophobicContact CG1-CG2 3.32Å; I56-T64 HydrophobicContact CD1-CG2 4.07Å; I56-T64 HydrophobicContact CG1-CG2 4.11Å; I56-T64 WeakPolarHBondContact CG1-O 3.41Å; I56-T64 PolarHBondContact N-O 3.34Å; R57-T64 PolarHBondContact N-O 2.65Å; R57-T64 PolarHBondContact O-N 3.11Å; T64-L369 HydrophobicContact CG2-CD2 3.96Å
65I92.7Very high82.8Confident0 Ų053 Ų530%031%0.305CS..EExtended strand (participates in β ladder)trans-114.4133.6-175-59.7156.3000108.4V29 V30 A32 M35 V44 V46 E54 I55 V67 V83V29-I65 WeakPolarHBondContact CA-O 3.38Å; V30-I65 HydrophobicContact CB-CB 4.47Å; V30-I65 PolarHBondContact N-O 2.89Å; V30-I65 WeakPolarHBondContact O-CA 3.45Å; V30-I65 WeakPolarHBondContact O-CB 3.19Å; V30-I65 PolarHBondContact O-N 2.7Å; A32-I65 HydrophobicContact CB-CD1 3.63Å; M35-I65 HydrophobicContact CE-CD1 4.37Å; V44-I65 HydrophobicContact CG2-CB 4.41Å; V44-I65 HydrophobicContact CG2-CD1 4.06Å; V44-I65 HydrophobicContact CG2-CG1 4.08Å; V44-I65 HydrophobicContact CG2-CG2 3.42Å; V44-I65 VanDerWaalsContact CG2-CG2 3.42Å; V46-I65 HydrophobicContact CG2-CD1 4.39Å; V46-I65 HydrophobicContact CG2-CG2 4.01Å; E54-I65 CarbonylContact O-C 3.5Å; E54-I65 WeakPolarHBondContact O-CA 3.28Å; I55-I65 HydrophobicContact CG1-CG1 4.04Å; I65-V67 HydrophobicContact CG2-CG2 4.38Å; I65-V83 HydrophobicContact CD1-CG1 3.75Å
66Q90.6Very high81.6Confident4 Ų454.1 Ų54.12%0.01932%0.317CS..EExtended strand (participates in β ladder)trans-97.2120.7169.7-177.2178.6-0.200109.2G53 E54 I56 A325 I365G53-Q66 CarbonylContact C-O 3.59Å; G53-Q66 WeakPolarHBondContact CA-O 3.5Å; E54-Q66 PolarHBondContact N-O 3.4Å; E54-Q66 PolarHBondContact O-N 3.24Å; I56-Q66 HydrophobicContact CD1-CB 4.11Å; I56-Q66 HydrophobicContact CG1-CB 4.44Å; I56-Q66 HydrophobicContact CG2-CB 4.07Å; Q66-A325 HydrophobicContact CG-CB 3.75Å; Q66-I365 VanDerWaalsContact NE2-CG1 3.32Å
67V90.6Very high81.3Confident0 Ų053.7 Ų53.70%032%0.316CS..EExtended strand (participates in β ladder)trans-91.7132.8-179-173.10000109.7P28 V30 V46 L51 I65 E69 T71P28-V67 PolarHBondContact O-N 3.41Å; V30-V67 HydrophobicContact CB-CG2 4.2Å; V30-V67 HydrophobicContact CG2-CG2 3.54Å; V46-V67 HydrophobicContact CG2-CG2 4.29Å; L51-V67 HydrophobicContact CB-CG1 3.84Å; L51-V67 HydrophobicContact CD1-CG1 4.2Å; I65-V67 HydrophobicContact CG2-CG2 4.38Å; V67-E69 HydrophobicContact CG1-CB 4.35Å; V67-E69 PolarHBondContact O-N 3.25Å; V67-T71 HydrophobicContact CB-CG2 3.84Å; V67-T71 HydrophobicContact CG1-CG2 3.96Å; V67-T71 HydrophobicContact CG2-CG2 4.01Å
68Y87.3Confident81.2Confident5 Ų552.2 Ų52.22%0.0232%0.321CS..SBendtrans-841.8178.7-63.5-62000113.7V52 E54 L90 I106 P323 A325 A329V52-Y68 HydrophobicContact CB-CD2 4.39Å; V52-Y68 HydrophobicContact CG1-CD2 3.88Å; V52-Y68 HydrophobicContact CG1-CE2 4.5Å; V52-Y68 PolarHBondContact O-N 3.49Å; E54-Y68 HydrophobicContact CB-CE2 3.84Å; E54-Y68 WeakPolarHBondContact CB-OH 2.97Å; E54-Y68 PolarHBondContact OE2-OH 3.16Å; Y68-L90 HydrophobicContact CE2-CD2 4.37Å; Y68-I106 HydrophobicContact CD2-CG2 4.19Å; Y68-I106 HydrophobicContact CG-CG2 4.15Å; Y68-P323 VanDerWaalsContact O-CB 3.27Å; Y68-P323 WeakPolarHBondContact O-CB 3.45Å; Y68-P323 VanDerWaalsContact O-CG 3.23Å; Y68-P323 WeakPolarHBondContact O-CG 3.3Å; Y68-A325 VanDerWaalsContact CD1-C 3.46Å; Y68-A325 HydrophobicContact CD1-CB 3.32Å; Y68-A325 HydrophobicContact CE1-CB 3.76Å; Y68-A325 WeakPolarHBondContact CE1-O 3.38Å; Y68-A325 HydrophobicContact CG-CB 4.32Å; Y68-A329 HydrophobicContact CD1-CB 4.5Å; Y68-A329 HydrophobicContact CE1-CB 4.13Å
69E85.9Confident81.1Confident13 Ų1354 Ų546%0.06133%0.334CS..SBendtrans-126.9165.1-179.8-65.4-168.5-157.600110.7L51 V67 R108 R124 G125L51-E69 HydrophobicContact CB-CB 4.41Å; L51-E69 HydrophobicContact CD2-CB 4.14Å; L51-E69 WeakPolarHBondContact CD2-OE2 3.35Å; V67-E69 HydrophobicContact CG1-CB 4.35Å; V67-E69 PolarHBondContact O-N 3.25Å; E69-R108 IonicContact OE1-CZ 3.58Å; E69-R108 IonicContact OE1-NH1 3.5Å; E69-R108 PolarHBondContact OE1-NH1 3.39Å; E69-R108 IonicContact OE1-NH2 2.79Å; E69-R124 WeakPolarHBondContact OE2-CA 3.36Å; E69-G125 PolarHBondContact OE2-N 2.99Å
70E82.6Confident80.9Confident87 Ų8751.5 Ų51.541%0.40734%0.335SS..  trans-70131.8179.6-68.8-177.6167.800112.5R124E70-R124 IonicContact OE2-CZ 3.6Å; E70-R124 IonicContact OE2-NE 3.57Å; E70-R124 IonicContact OE2-NH2 3.51Å; E70-R124 PolarHBondContact OE2-NH2 2.63Å
71T81.1Confident81Confident8 Ų848.3 Ų48.35%0.04930%0.298CS..  trans-102.8-17-177.150.50000114.2G27 V30 V67 G76 V77G27-T71 PolarHBondContact O-OG1 3.05Å; V30-T71 HydrophobicContact CG2-CG2 4.19Å; V67-T71 HydrophobicContact CB-CG2 3.84Å; V67-T71 HydrophobicContact CG1-CG2 3.96Å; V67-T71 HydrophobicContact CG2-CG2 4.01Å; T71-G76 WeakPolarHBondContact O-CA 3.38Å; T71-V77 HydrophobicContact CG2-CG2 4.37Å; T71-V77 PolarHBondContact O-N 3.36Å
72E63.4Low81Confident139 Ų13945.4 Ų45.465%0.6528%0.283SS*.SBendtrans-103.14.3-158.3-64.4-168.9150.500118.5G27G27-E72 WeakPolarHBondContact CA-OE1 3.39Å; G27-E72 PolarHBondContact N-OE1 3.11Å
73N55.7Low81Confident95 Ų9542 Ų4251%0.50827%0.266SS..SBendtrans-101.2178.7-178.2-65.8-24.4000114.6A75 G76 R124N73-A75 CarbonylContact O-C 3.43Å; N73-A75 PolarHBondContact O-N 2.7Å; N73-G76 WeakPolarHBondContact O-CA 3.41Å; N73-G76 PolarHBondContact O-N 2.96Å; N73-R124 PolarHBondContact ND2-NH2 2.84Å
74S38.2Very low80.8Confident140 Ų14042 Ų4298%0.97927%0.266SS*.THydrogen-bonded Turntrans-49.5-8.7-168.9-25.70000119.1
75A52.5Low80.7Confident83 Ų8343 Ų4369%0.68627%0.269SS*.THydrogen-bonded Turntrans-131.550.617000000108.5N73N73-A75 CarbonylContact O-C 3.43Å; N73-A75 PolarHBondContact O-N 2.7Å
76G68.4Low80.3Confident24 Ų2443.9 Ų43.925%0.24728%0.275CS..  trans-87.1168.7-170.200000111.7T71 N73 S78T71-G76 WeakPolarHBondContact O-CA 3.38Å; N73-G76 WeakPolarHBondContact O-CA 3.41Å; N73-G76 PolarHBondContact O-N 2.96Å; G76-S78 PolarHBondContact O-N 3.45Å
77V83.2Confident80.1Confident18 Ų1846.6 Ų46.611%0.10930%0.304CS..  trans-66.2123.6178.3-178.60000108.7V22 V25 V46 L51 T71 D81V22-V77 HydrophobicContact CB-CG1 4.41Å; V22-V77 HydrophobicContact CG1-CG1 4.11Å; V22-V77 HydrophobicContact CG2-CG1 3.76Å; V25-V77 HydrophobicContact CG2-CB 4.14Å; V25-V77 HydrophobicContact CG2-CG1 3.89Å; V46-V77 HydrophobicContact CG1-CG1 3.87Å; V46-V77 HydrophobicContact CG1-CG2 4.25Å; L51-V77 HydrophobicContact CD1-CG2 3.61Å; T71-V77 HydrophobicContact CG2-CG2 4.37Å; T71-V77 PolarHBondContact O-N 3.36Å; V77-D81 WeakPolarHBondContact CA-OD2 3.42Å; V77-D81 HydrophobicContact CG1-CB 4.36Å
78S88.4Confident79.9Confident70 Ų7050 Ų5049%0.4932%0.318SS..  trans-104.9158-179.6-65.10000111.6G76 G80 D81G76-S78 PolarHBondContact O-N 3.45Å; S78-G80 PolarHBondContact O-N 2.8Å; S78-D81 PolarHBondContact N-OD2 3.05Å; S78-D81 VanDerWaalsContact O-CB 3.23Å; S78-D81 WeakPolarHBondContact O-CB 3.4Å; S78-D81 VanDerWaalsContact O-CG 3.26Å; S78-D81 PolarHBondContact O-N 2.93Å; S78-D81 VanDerWaalsContact O-N 3.16Å
79V90.4Very high80.1Confident105 Ų10552.3 Ų52.364%0.63633%0.334SS*.THydrogen-bonded Turntrans-65.1132.5172.6179.70000108.9V22V22-V79 WeakPolarHBondContact O-CG1 3.46Å
80G88.3Confident80.3Confident45 Ų4552.1 Ų52.146%0.46433%0.334SS..THydrogen-bonded Turntrans93.3-6.7-173.600000114.3V22 S78V22-G80 PolarHBondContact O-N 3.23Å; S78-G80 PolarHBondContact O-N 2.8Å
81D91.1Very high80.8Confident16 Ų1648.6 Ų48.69%0.08632%0.318CS..  trans-61.1142.7174.4-82.66000111.4Y21 V22 H48 V77 S78Y21-D81 WeakPolarHBondContact CA-O 3.27Å; V22-D81 HydrophobicContact CB-CB 4.26Å; V22-D81 HydrophobicContact CG2-CB 3.92Å; V22-D81 WeakPolarHBondContact CG2-O 3.49Å; V22-D81 PolarHBondContact N-O 3.17Å; H48-D81 IonicContact CD2-OD1 3.63Å; H48-D81 IonicContact NE2-OD1 3.61Å; V77-D81 WeakPolarHBondContact CA-OD2 3.42Å; V77-D81 HydrophobicContact CG1-CB 4.36Å; S78-D81 PolarHBondContact N-OD2 3.05Å; S78-D81 VanDerWaalsContact O-CB 3.23Å; S78-D81 WeakPolarHBondContact O-CB 3.4Å; S78-D81 VanDerWaalsContact O-CG 3.26Å; S78-D81 PolarHBondContact O-N 2.93Å; S78-D81 VanDerWaalsContact O-N 3.16Å
82P91.4Very high81.4Confident18 Ų1848.2 Ų48.212%0.11732%0.316CS..EExtended strand (participates in β ladder)trans-69.8144.5178.327.5-33.9000112.1I10 F19 G47I10-P82 HydrophobicContact CD1-CB 4.43Å; I10-P82 HydrophobicContact CD1-CG 4.02Å; I10-P82 HydrophobicContact CG2-CB 4.44Å; I10-P82 HydrophobicContact CG2-CG 4.14Å; F19-P82 HydrophobicContact CD1-CB 4.24Å; G47-P82 PolarHBondContact N-O 3.33Å
83V92.1Very high82.9Confident0 Ų041.8 Ų41.80%029%0.286CS..EExtended strand (participates in β ladder)trans-123.4112.2172.5-1790000109F19 G20 V22 A32 M35 V44 R45 V46 I65F19-V83 CarbonylContact C-O 3.54Å; F19-V83 WeakPolarHBondContact CA-O 3.42Å; G20-V83 PolarHBondContact N-O 3.04Å; G20-V83 PolarHBondContact O-N 3.45Å; V22-V83 HydrophobicContact CG2-CG2 3.61Å; A32-V83 HydrophobicContact CB-CB 4.4Å; A32-V83 HydrophobicContact CB-CG2 3.93Å; M35-V83 HydrophobicContact CE-CG1 4.04Å; M35-V83 HydrophobicContact SD-CB 4.4Å; M35-V83 HydrophobicContact SD-CG1 4.13Å; V44-V83 HydrophobicContact CB-CG1 4.03Å; V44-V83 HydrophobicContact CG1-CG1 4.48Å; V44-V83 HydrophobicContact CG2-CG1 4.31Å; R45-V83 CarbonylContact O-C 3.57Å; R45-V83 WeakPolarHBondContact O-CA 3.41Å; V46-V83 HydrophobicContact CG1-CG2 4.23Å; V46-V83 HydrophobicContact CG2-CG1 4.17Å; V46-V83 HydrophobicContact CG2-CG2 4.43Å; I65-V83 HydrophobicContact CD1-CG1 3.75Å
84L90.8Very high84.8Confident0 Ų037.3 Ų37.30%026%0.262CS..EExtended strand (participates in β ladder)trans-95.4132.4179.9175.864.9000111.3P8 I10 E13 Q18 F19 V44 R45P8-L84 HydrophobicContact CB-CD2 4.07Å; P8-L84 HydrophobicContact CG-CD2 4.2Å; P8-L84 WeakPolarHBondContact O-CD2 3.42Å; I10-L84 HydrophobicContact CG1-CB 4.03Å; I10-L84 HydrophobicContact CG1-CD2 4.22Å; E13-L84 HydrophobicContact CB-CD1 4.26Å; E13-L84 HydrophobicContact CG-CD1 4.14Å; Q18-L84 HydrophobicContact CB-CD1 4.26Å; F19-L84 HydrophobicContact CD1-CB 4.18Å; F19-L84 HydrophobicContact CD1-CD1 4.22Å; F19-L84 HydrophobicContact CE1-CB 4Å; F19-L84 HydrophobicContact CE1-CD1 3.86Å; F19-L84 HydrophobicContact CE1-CG 4.36Å; F19-L84 HydrophobicContact CZ-CD1 4.12Å; V44-L84 CarbonylContact C-O 3.56Å; V44-L84 VanDerWaalsContact CA-O 3.26Å; V44-L84 WeakPolarHBondContact CA-O 3.39Å; V44-L84 WeakPolarHBondContact CB-O 3.5Å; R45-L84 HydrophobicContact CB-CB 4.26Å; R45-L84 PolarHBondContact N-O 3.49Å; R45-L84 PolarHBondContact O-N 3.15Å
85R89.3Confident87.4Confident32 Ų3230.6 Ų30.612%0.12122%0.215CC..EExtended strand (participates in β ladder)trans-89.3136.3178.7-66.5-176.2-64.7168.3-7.6111.4S17 Q18 M35 A36 G37 E42 V44S17-R85 PolarHBondContact O-NH2 3.42Å; Q18-R85 PolarHBondContact O-NE 2.86Å; Q18-R85 VanDerWaalsContact O-NE 3.14Å; M35-R85 HydrophobicContact CE-CG 3.63Å; M35-R85 HydrophobicContact SD-CG 4.11Å; A36-R85 PolarHBondContact O-NH1 3.32Å; A36-R85 PolarHBondContact O-NH2 3.02Å; G37-R85 PolarHBondContact O-NH1 3.33Å; E42-R85 WeakPolarHBondContact OE1-CB 3.42Å; V44-R85 HydrophobicContact CG1-CG 4.32Å
86T85.3Confident89.4Confident20 Ų2026.7 Ų26.712%0.12318%0.183CC..EExtended strand (participates in β ladder)trans-99.5-13-178.570.80000113.8L7 E42 L43 K88L7-T86 HydrophobicContact CD2-CG2 3.9Å; E42-T86 PolarHBondContact OE1-N 3.34Å; L43-T86 HydrophobicContact CD2-CG2 3.73Å; L43-T86 WeakPolarHBondContact O-CB 3.34Å; L43-T86 WeakPolarHBondContact O-CG2 3.5Å; L43-T86 PolarHBondContact O-N 3.02Å; L43-T86 PolarHBondContact O-OG1 3.5Å; T86-K88 PolarHBondContact O-N 3.27Å; T86-K88 PolarHBondContact OG1-O 2.89Å
87G85.6Confident90.4Very high61 Ų6126.2 Ų26.263%0.62918%0.178SC*.EExtended strand (participates in β ladder)trans68.68.4-177.400000114.5E42E42-G87 VanDerWaalsContact OE1-CA 3.24Å; E42-G87 WeakPolarHBondContact OE1-CA 3.44Å; E42-G87 PolarHBondContact OE1-N 3.32Å
88K86.2Confident91Very high70 Ų7025.3 Ų25.330%0.30417%0.173SC..EExtended strand (participates in β ladder)trans-134.3147.5-175.4-64.2179-167.5158.40111.2M2 L43 T86M2-K88 PolarHBondContact O-NZ 3.05Å; L43-K88 WeakPolarHBondContact CB-O 3.46Å; L43-K88 PolarHBondContact N-O 3.44Å; T86-K88 PolarHBondContact O-N 3.27Å; T86-K88 PolarHBondContact OG1-O 2.89Å
89P92.3Very high91.2Very high54 Ų5422.6 Ų22.635%0.35115%0.152SC..EExtended strand (participates in β ladder)trans-73.1165.517232.6-36.3000111.7Y41 S91 P214Y41-P89 VanDerWaalsContact O-CA 3.28Å; Y41-P89 WeakPolarHBondContact O-CA 3.18Å; P89-S91 PolarHBondContact O-N 3.11Å; P89-S91 PolarHBondContact O-OG 2.99Å; P89-P214 HydrophobicContact CG-CB 3.91Å; P89-P214 HydrophobicContact CG-CG 4.01Å
90L90.6Very high91.2Very high10 Ų1019 Ų195%0.05214%0.137CC..SBendtrans-52118.1170.3-18065000109.8L43 Y68 P214 V215 A329L43-L90 HydrophobicContact CD1-CB 4.32Å; L43-L90 HydrophobicContact CD1-CD1 3.7Å; Y68-L90 HydrophobicContact CE2-CD2 4.37Å; L90-P214 WeakPolarHBondContact O-CA 3.34Å; L90-V215 HydrophobicContact CB-CG2 4.2Å; L90-V215 HydrophobicContact CD2-CG2 3.75Å; L90-V215 HydrophobicContact CG-CG2 3.85Å; L90-V215 PolarHBondContact O-N 2.9Å; L90-A329 HydrophobicContact CD2-CB 3.9Å
91S92.1Very high91.3Very high12 Ų1218.6 Ų18.68%0.08413%0.127CC..EExtended strand (participates in β ladder)trans-134.2156.4-175.7-52.90000109.9M4 P89 W213 P214M4-S91 WeakPolarHBondContact CE-O 3.43Å; P89-S91 PolarHBondContact O-N 3.11Å; P89-S91 PolarHBondContact O-OG 2.99Å; S91-W213 CarbonylContact C-O 2.99Å; S91-W213 WeakPolarHBondContact CA-O 3.31Å; S91-W213 WeakPolarHBondContact CB-O 3.49Å; S91-P214 WeakPolarHBondContact OG-CA 3.48Å
92V94.6Very high91.5Very high1 Ų119.8 Ų19.81%0.00613%0.133CC..EExtended strand (participates in β ladder)trans-115.6146.9-179.7-71.80000110.3L94 Q107 V212 W213 V215 T333 T336V92-L94 HydrophobicContact CG2-CD2 3.94Å; V92-L94 HydrophobicContact CG2-CG 4.29Å; V92-Q107 HydrophobicContact CG1-CB 4.17Å; V92-Q107 HydrophobicContact CG1-CG 4.37Å; V92-V212 WeakPolarHBondContact O-CA 3.44Å; V92-W213 PolarHBondContact N-O 2.94Å; V92-W213 PolarHBondContact O-N 3.49Å; V92-V215 HydrophobicContact CB-CG1 4.15Å; V92-V215 HydrophobicContact CG1-CG1 3.33Å; V92-V215 HydrophobicContact CG2-CG1 3.88Å; V92-T333 HydrophobicContact CG1-CG2 3.89Å; V92-T336 HydrophobicContact CG2-CG2 3.54Å
93E94.7Very high91.6Very high4 Ų418.9 Ų18.92%0.01913%0.127CC..EExtended strand (participates in β ladder)trans-82.8124.2171.8-59.8-170.1155.900109.3M4 Q107 A130 L131 R133 V212M4-E93 HydrophobicContact CB-CG 4.31Å; M4-E93 WeakPolarHBondContact CB-OE1 3.18Å; M4-E93 HydrophobicContact CG-CG 4.03Å; M4-E93 PolarHBondContact N-OE1 3.18Å; E93-Q107 PolarHBondContact O-NE2 2.89Å; E93-A130 HydrophobicContact CB-CB 4.1Å; E93-A130 HydrophobicContact CG-CB 4.27Å; E93-L131 HydrophobicContact CB-CD1 4.26Å; E93-L131 HydrophobicContact CB-CG 4.49Å; E93-R133 IonicContact OE1-NH2 2.71Å; E93-V212 HydrophobicContact CG-CG2 4.48Å
94L95.1Very high91.6Very high0 Ų019.2 Ų19.20%013%0.128CC..EExtended strand (participates in β ladder)trans-116.2120.6-179.1-56.4174.5000108.4V92 V210 Q211 W213 L337 Y340V92-L94 HydrophobicContact CG2-CD2 3.94Å; V92-L94 HydrophobicContact CG2-CG 4.29Å; L94-V210 WeakPolarHBondContact O-CA 3.29Å; L94-Q211 HydrophobicContact CB-CG 3.76Å; L94-Q211 HydrophobicContact CD1-CG 4.28Å; L94-Q211 PolarHBondContact N-O 2.81Å; L94-Q211 PolarHBondContact O-N 2.9Å; L94-W213 HydrophobicContact CD1-CB 3.64Å; L94-W213 HydrophobicContact CD1-CG 4.43Å; L94-L337 HydrophobicContact CD2-CD2 3.72Å; L94-Y340 HydrophobicContact CB-CD1 4.03Å; L94-Y340 HydrophobicContact CB-CD2 3.89Å; L94-Y340 HydrophobicContact CB-CE1 4.01Å; L94-Y340 HydrophobicContact CB-CE2 3.9Å; L94-Y340 HydrophobicContact CB-CG 3.95Å; L94-Y340 HydrophobicContact CD1-CD2 3.79Å; L94-Y340 HydrophobicContact CD1-CE2 4.49Å; L94-Y340 HydrophobicContact CD1-CG 3.92Å; L94-Y340 HydrophobicContact CD2-CD1 4.08Å; L94-Y340 HydrophobicContact CD2-CG 3.92Å; L94-Y340 HydrophobicContact CG-CD2 4.3Å; L94-Y340 HydrophobicContact CG-CG 4.15Å
95G93.3Very high91.5Very high0 Ų019.2 Ų19.20%013%0.129CC..SBendtrans175.4-173.9-176.400000111.9I98 H168G95-I98 VanDerWaalsContact O-CD1 3.23Å; G95-I98 WeakPolarHBondContact O-CD1 3Å; G95-I98 WeakPolarHBondContact O-CG1 3.17Å; G95-H168 PolarHBondContact O-CE1 2.9Å
96P93.4Very high91.5Very high0 Ų019 Ų190%013%0.13CC..THydrogen-bonded Turntrans-66.5146.7176.828.8-34000111.5W137 V160 I191 M209P96-W137 HydrophobicContact CB-CD2 4.1Å; P96-W137 HydrophobicContact CB-CG 4.28Å; P96-W137 HydrophobicContact CG-CG 4.28Å; P96-V160 HydrophobicContact CB-CG1 4.01Å; P96-V160 HydrophobicContact CG-CG1 4.49Å; P96-I191 HydrophobicContact CG-CD1 4.43Å; P96-I191 HydrophobicContact CG-CG1 4.27Å; P96-I191 VanDerWaalsContact O-CD1 3.26Å; P96-I191 WeakPolarHBondContact O-CD1 3.45Å; P96-M209 HydrophobicContact CG-CB 4.29Å; P96-M209 HydrophobicContact CG-SD 4.21Å
97G91.3Very high91.9Very high14 Ų1418.3 Ų18.314%0.14413%0.125CC..THydrogen-bonded Turntrans100.711.2-177.500000114.7S101 E162G97-S101 PolarHBondContact O-OG 3.24Å; G97-E162 VanDerWaalsContact CA-OE1 3.31Å; G97-E162 WeakPolarHBondContact CA-OE1 3.38Å; G97-E162 PolarHBondContact N-OE1 3.05Å
98I94.4Very high92.2Very high0 Ų016.7 Ų16.70%010%0.1CC..  trans-86.9-35.8176.9-67.8172.1000110.6G95 G100 S101 F103 L131 E162 A314 L337 Y340 F341G95-I98 VanDerWaalsContact O-CD1 3.23Å; G95-I98 WeakPolarHBondContact O-CD1 3Å; G95-I98 WeakPolarHBondContact O-CG1 3.17Å; I98-G100 PolarHBondContact O-N 3.4Å; I98-S101 WeakPolarHBondContact O-CB 3.5Å; I98-S101 PolarHBondContact O-N 2.92Å; I98-F103 HydrophobicContact CG2-CE2 4.09Å; I98-L131 HydrophobicContact CG1-CD2 3.64Å; I98-E162 PolarHBondContact N-OE1 3.27Å; I98-A314 HydrophobicContact CG2-CB 3.99Å; I98-L337 HydrophobicContact CD1-CD2 3.99Å; I98-L337 HydrophobicContact CG2-CD2 4.23Å; I98-Y340 HydrophobicContact CD1-CD1 4.47Å; I98-Y340 HydrophobicContact CD1-CE1 4.36Å; I98-F341 HydrophobicContact CB-CZ 4.13Å; I98-F341 HydrophobicContact CG2-CE2 3.82Å; I98-F341 HydrophobicContact CG2-CZ 3.92Å
99M93.1Very high92.6Very high12 Ų1213.6 Ų13.66%0.0599%0.087CC..THydrogen-bonded Turntrans-71.9129.9-176.7-65.7-59.3-169.100111.1S101 E162 I166 V275 F341M99-S101 PolarHBondContact O-N 2.92Å; M99-E162 HydrophobicContact CB-CG 4.27Å; M99-E162 WeakPolarHBondContact CB-OE1 3.27Å; M99-E162 WeakPolarHBondContact CG-OE2 3.11Å; M99-E162 PolarHBondContact N-OE1 3.11Å; M99-I166 HydrophobicContact CE-CG1 4.18Å; M99-I166 HydrophobicContact CE-CG2 4.03Å; M99-I166 HydrophobicContact CG-CG2 4.46Å; M99-V275 HydrophobicContact CE-CB 4.09Å; M99-V275 HydrophobicContact CE-CG1 3.4Å; M99-V275 HydrophobicContact CE-CG2 3.49Å; M99-V275 VanDerWaalsContact CE-CG2 3.49Å; M99-V275 HydrophobicContact SD-CG1 4.12Å; M99-F341 HydrophobicContact CE-CD1 3.51Å; M99-F341 HydrophobicContact CE-CD2 4.06Å; M99-F341 HydrophobicContact CE-CE1 3.12Å; M99-F341 HydrophobicContact CE-CE2 3.69Å; M99-F341 HydrophobicContact CE-CG 3.98Å; M99-F341 HydrophobicContact CE-CZ 3.2Å; M99-F341 HydrophobicContact CG-CZ 4.21Å; M99-F341 HydrophobicContact SD-CE1 4.32Å; M99-F341 HydrophobicContact SD-CE2 4.23Å; M99-F341 HydrophobicContact SD-CZ 3.87Å
100G89.8Confident92.6Very high31 Ų3113 Ų1332%0.328%0.081SC..THydrogen-bonded Turntrans80.4-4.1-174.900000114.3I98 M310 T313I98-G100 PolarHBondContact O-N 3.4Å; G100-M310 VanDerWaalsContact CA-O 3.27Å; G100-M310 WeakPolarHBondContact CA-O 3.41Å; G100-M310 PolarHBondContact N-O 3.47Å; G100-M310 WeakPolarHBondContact O-CE 3.44Å; G100-T313 PolarHBondContact N-O 2.92Å
101S92.1Very high92.6Very high35 Ų3519.3 Ų19.325%0.24511%0.108CC..  trans-86.2150.4177.3-63.90000111.6G97 I98 M99 L315G97-S101 PolarHBondContact O-OG 3.24Å; I98-S101 WeakPolarHBondContact O-CB 3.5Å; I98-S101 PolarHBondContact O-N 2.92Å; M99-S101 PolarHBondContact O-N 2.92Å; S101-L315 PolarHBondContact O-N 3.19Å
102I93.5Very high92.5Very high41 Ų4121.1 Ų21.121%0.2112%0.116CC..EExtended strand (participates in β ladder)trans-117.9117178.9-54.4155.9000107.7P109 L110 L292 M310 L315 A317I102-P109 WeakPolarHBondContact O-CA 3.43Å; I102-L110 HydrophobicContact CG2-CB 4.5Å; I102-L110 HydrophobicContact CG2-CD1 3.91Å; I102-L110 HydrophobicContact CG2-CG 4.41Å; I102-L110 PolarHBondContact O-N 2.62Å; I102-L292 HydrophobicContact CD1-CD2 3.46Å; I102-L292 VanDerWaalsContact CD1-CD2 3.46Å; I102-L292 HydrophobicContact CG1-CD2 3.88Å; I102-L292 HydrophobicContact CG2-CD2 4.18Å; I102-M310 HydrophobicContact CG1-CE 4Å; I102-L315 WeakPolarHBondContact CA-O 3.39Å; I102-L315 HydrophobicContact CG1-CB 4.34Å; I102-L315 HydrophobicContact CG1-CD1 4.29Å; I102-L315 HydrophobicContact CG2-CB 4.31Å; I102-A317 HydrophobicContact CG2-CB 4.19Å
103F94.4Very high92.3Very high0 Ų021.2 Ų21.20%012%0.117CC..EExtended strand (participates in β ladder)trans-107.4154.5-177.1-61.9-68.4000111.8I98 Q107 R108 A130 L131 L315 V316 A317I98-F103 HydrophobicContact CG2-CE2 4.09Å; F103-Q107 HydrophobicContact CD1-CG 3.86Å; F103-Q107 WeakPolarHBondContact CD1-O 3.47Å; F103-Q107 HydrophobicContact CE1-CG 4.22Å; F103-Q107 HydrophobicContact CG-CG 4.09Å; F103-R108 CarbonylContact C-O 3.59Å; F103-R108 WeakPolarHBondContact CA-O 3.41Å; F103-A130 WeakPolarHBondContact CE1-O 3.36Å; F103-L131 HydrophobicContact CZ-CD2 4.42Å; F103-L315 PolarHBondContact N-O 2.96Å; F103-V316 CarbonylContact O-C 3.57Å; F103-V316 WeakPolarHBondContact O-CA 3.37Å; F103-A317 PolarHBondContact O-N 3.37Å
104D92.3Very high92.2Very high6 Ų624.7 Ų24.73%0.03214%0.136CC..  trans-84.1-176.3161.776.9-3.1000112I106 Q107 R108 L110D104-I106 PolarHBondContact O-N 3.18Å; D104-I106 VanDerWaalsContact O-N 3.16Å; D104-I106 WeakPolarHBondContact OD1-CG1 3.3Å; D104-I106 PolarHBondContact OD1-N 3.07Å; D104-Q107 PolarHBondContact O-N 2.76Å; D104-Q107 VanDerWaalsContact O-N 3.09Å; D104-Q107 PolarHBondContact OD1-N 3.44Å; D104-R108 PolarHBondContact N-O 3.44Å; D104-R108 PolarHBondContact OD1-N 3.03Å; D104-R108 IonicContact OD1-NE 3.5Å; D104-R108 IonicContact OD2-CZ 3.56Å; D104-R108 IonicContact OD2-NE 2.73Å; D104-R108 PolarHBondContact OD2-NE 3.49Å; D104-R108 IonicContact OD2-NH2 3.56Å; D104-R108 PolarHBondContact OD2-NH2 3.45Å; D104-L110 HydrophobicContact CB-CD2 4.07Å
105G88Confident92Very high1 Ų128.8 Ų28.81%0.0116%0.158CC..THydrogen-bonded Turntrans-60.5-23.2-178.100000115.5A329 S330 T333G105-A329 CarbonylContact O-C 3.51Å; G105-A329 WeakPolarHBondContact O-CB 3.5Å; G105-S330 PolarHBondContact O-N 3.3Å; G105-T333 PolarHBondContact O-OG1 2.97Å
106I89.9Confident91.7Very high26 Ų2634.8 Ų34.813%0.13319%0.189CC..THydrogen-bonded Turntrans-109.121.4177.959.5162.9000112.7V52 Y68 D104 R108 A329V52-I106 HydrophobicContact CB-CD1 4.31Å; V52-I106 HydrophobicContact CG2-CD1 4Å; Y68-I106 HydrophobicContact CD2-CG2 4.19Å; Y68-I106 HydrophobicContact CG-CG2 4.15Å; D104-I106 PolarHBondContact O-N 3.18Å; D104-I106 VanDerWaalsContact O-N 3.16Å; D104-I106 WeakPolarHBondContact OD1-CG1 3.3Å; D104-I106 PolarHBondContact OD1-N 3.07Å; I106-R108 HydrophobicContact CD1-CG 4.35Å; I106-R108 HydrophobicContact CG1-CG 4.19Å; I106-A329 HydrophobicContact CG2-CB 4.31Å
107Q93.6Very high91.5Very high6 Ų636.7 Ų36.73%0.02820%0.201CC..SBendtrans69.529174.2-149.9-163.411.900116V92 E93 F103 D104 A130 T333V92-Q107 HydrophobicContact CG1-CB 4.17Å; V92-Q107 HydrophobicContact CG1-CG 4.37Å; E93-Q107 PolarHBondContact O-NE2 2.89Å; F103-Q107 HydrophobicContact CD1-CG 3.86Å; F103-Q107 WeakPolarHBondContact CD1-O 3.47Å; F103-Q107 HydrophobicContact CE1-CG 4.22Å; F103-Q107 HydrophobicContact CG-CG 4.09Å; D104-Q107 PolarHBondContact O-N 2.76Å; D104-Q107 VanDerWaalsContact O-N 3.09Å; D104-Q107 PolarHBondContact OD1-N 3.44Å; Q107-A130 HydrophobicContact CG-CB 4.09Å; Q107-A130 WeakPolarHBondContact O-CA 3.28Å; Q107-A130 VanDerWaalsContact O-CB 3.25Å; Q107-A130 WeakPolarHBondContact O-CB 3.34Å; Q107-T333 HydrophobicContact CB-CG2 4.19Å; Q107-T333 HydrophobicContact CG-CG2 4.28Å
108R92.4Very high91.5Very high27 Ų2743.6 Ų43.610%0.10223%0.229CC..  trans-88.3133.4171.8-60.1179.4-64.9-159.2-7.8111.3E69 F103 D104 I106 L110 I113 V126E69-R108 IonicContact OE1-CZ 3.58Å; E69-R108 IonicContact OE1-NH1 3.5Å; E69-R108 PolarHBondContact OE1-NH1 3.39Å; E69-R108 IonicContact OE1-NH2 2.79Å; F103-R108 CarbonylContact C-O 3.59Å; F103-R108 WeakPolarHBondContact CA-O 3.41Å; D104-R108 PolarHBondContact N-O 3.44Å; D104-R108 PolarHBondContact OD1-N 3.03Å; D104-R108 IonicContact OD1-NE 3.5Å; D104-R108 IonicContact OD2-CZ 3.56Å; D104-R108 IonicContact OD2-NE 2.73Å; D104-R108 PolarHBondContact OD2-NE 3.49Å; D104-R108 IonicContact OD2-NH2 3.56Å; D104-R108 PolarHBondContact OD2-NH2 3.45Å; I106-R108 HydrophobicContact CD1-CG 4.35Å; I106-R108 HydrophobicContact CG1-CG 4.19Å; R108-L110 PolarHBondContact O-N 3.01Å; R108-I113 HydrophobicContact CB-CD1 3.86Å; R108-V126 PolarHBondContact NH1-O 3.28Å
109P93.8Very high91.3Very high6 Ų645.6 Ų45.64%0.03924%0.243CC..BIsolated β-bridgetrans-71117.1179.525.9-33.1000111.6I102 K111 D112 I113 I128 G129I102-P109 WeakPolarHBondContact O-CA 3.43Å; P109-K111 VanDerWaalsContact C-N 3.33Å; P109-K111 PolarHBondContact O-N 3.25Å; P109-D112 HydrophobicContact CB-CB 4.12Å; P109-D112 HydrophobicContact CG-CB 3.87Å; P109-D112 WeakPolarHBondContact CG-OD2 3.45Å; P109-D112 PolarHBondContact O-N 2.97Å; P109-I113 WeakPolarHBondContact O-CD1 3.46Å; P109-I113 VanDerWaalsContact O-CG1 3.31Å; P109-I113 WeakPolarHBondContact O-CG1 3.41Å; P109-I113 PolarHBondContact O-N 3.45Å; P109-I113 VanDerWaalsContact O-N 3.12Å; P109-I128 HydrophobicContact CG-CG2 4.16Å; P109-G129 WeakPolarHBondContact CD-O 3.42Å
110L91.9Very high91.2Very high41 Ų4152.1 Ų52.122%0.21528%0.277CS..Hα-helixtrans-66.8-34.1-176.6-68.8-175.1000113.1I102 D104 R108 I113 N114 I122 A317I102-L110 HydrophobicContact CG2-CB 4.5Å; I102-L110 HydrophobicContact CG2-CD1 3.91Å; I102-L110 HydrophobicContact CG2-CG 4.41Å; I102-L110 PolarHBondContact O-N 2.62Å; D104-L110 HydrophobicContact CB-CD2 4.07Å; R108-L110 PolarHBondContact O-N 3.01Å; L110-I113 HydrophobicContact CD2-CD1 4.31Å; L110-N114 PolarHBondContact O-N 3.13Å; L110-N114 VanDerWaalsContact O-N 3.14Å; L110-I122 HydrophobicContact CD2-CD1 3.82Å; L110-A317 HydrophobicContact CD1-CB 4.08Å
111K90.6Very high91.1Very high143 Ų14358.8 Ų58.862%0.62229%0.293SS*.Hα-helixtrans-66.1-47.6178.4-172.9-179.6176-173.80111P109 I113 N114 D115P109-K111 VanDerWaalsContact C-N 3.33Å; P109-K111 PolarHBondContact O-N 3.25Å; K111-I113 VanDerWaalsContact C-N 3.31Å; K111-I113 PolarHBondContact O-N 2.77Å; K111-N114 WeakPolarHBondContact O-CB 3.43Å; K111-N114 PolarHBondContact O-N 2.93Å; K111-N114 VanDerWaalsContact O-N 3.14Å; K111-D115 PolarHBondContact O-N 2.84Å
112D90.6Very high91Very high49 Ų4960.6 Ų60.626%0.26230%0.3SS..Hα-helixtrans-68.1-33.1-179-56.2-12.4000111.4P109 D115 L116P109-D112 HydrophobicContact CB-CB 4.12Å; P109-D112 HydrophobicContact CG-CB 3.87Å; P109-D112 WeakPolarHBondContact CG-OD2 3.45Å; P109-D112 PolarHBondContact O-N 2.97Å; D112-D115 PolarHBondContact O-N 3.36Å; D112-L116 VanDerWaalsContact O-CB 3.23Å; D112-L116 WeakPolarHBondContact O-CB 3.26Å; D112-L116 PolarHBondContact O-N 3.02Å
113I90.6Very high90.6Very high4 Ų461.1 Ų61.12%0.02131%0.306CS..Hα-helixtrans-59.6-48.3170.7-70.4161.9000110.6R108 P109 L110 K111 L116 T117 I122 V126 I128R108-I113 HydrophobicContact CB-CD1 3.86Å; P109-I113 WeakPolarHBondContact O-CD1 3.46Å; P109-I113 VanDerWaalsContact O-CG1 3.31Å; P109-I113 WeakPolarHBondContact O-CG1 3.41Å; P109-I113 PolarHBondContact O-N 3.45Å; P109-I113 VanDerWaalsContact O-N 3.12Å; L110-I113 HydrophobicContact CD2-CD1 4.31Å; K111-I113 VanDerWaalsContact C-N 3.31Å; K111-I113 PolarHBondContact O-N 2.77Å; I113-L116 PolarHBondContact O-N 3.12Å; I113-T117 HydrophobicContact CG2-CG2 4.38Å; I113-T117 WeakPolarHBondContact O-CB 3.49Å; I113-T117 VanDerWaalsContact O-CG2 3.24Å; I113-T117 WeakPolarHBondContact O-CG2 3.47Å; I113-T117 PolarHBondContact O-N 2.91Å; I113-T117 PolarHBondContact O-OG1 3.48Å; I113-I122 HydrophobicContact CG2-CG2 4.44Å; I113-V126 HydrophobicContact CD1-CG1 4.44Å; I113-I128 HydrophobicContact CB-CD1 4.35Å; I113-I128 HydrophobicContact CG1-CD1 3.67Å
114N91.6Very high90.1Very high77 Ų7765 Ų6541%0.41232%0.32SS..Hα-helixtrans-63-46.3179-177.223.4000111.2L110 K111 L116 T117 Q118 S119L110-N114 PolarHBondContact O-N 3.13Å; L110-N114 VanDerWaalsContact O-N 3.14Å; K111-N114 WeakPolarHBondContact O-CB 3.43Å; K111-N114 PolarHBondContact O-N 2.93Å; K111-N114 VanDerWaalsContact O-N 3.14Å; N114-L116 VanDerWaalsContact C-N 3.32Å; N114-L116 PolarHBondContact O-N 3.4Å; N114-T117 PolarHBondContact O-N 3.14Å; N114-Q118 WeakPolarHBondContact O-CA 3.39Å; N114-Q118 PolarHBondContact O-N 2.91Å; N114-S119 PolarHBondContact OD1-O 3.4Å
115D90.8Very high89.6Confident86 Ų8665.4 Ų65.446%0.4633%0.326SS..Hα-helixtrans-64.7-35.8-179.1-68.6-17.6000111.9K111 D112 Q118K111-D115 PolarHBondContact O-N 2.84Å; D112-D115 PolarHBondContact O-N 3.36Å; D115-Q118 PolarHBondContact O-NE2 3.24Å
116L87.9Confident89.4Confident125 Ų12566.2 Ų66.265%0.65433%0.331SS*.Hα-helixtrans-75.9-39.6177.9-174.1125.2000112.9D112 I113 N114 I128D112-L116 VanDerWaalsContact O-CB 3.23Å; D112-L116 WeakPolarHBondContact O-CB 3.26Å; D112-L116 PolarHBondContact O-N 3.02Å; I113-L116 PolarHBondContact O-N 3.12Å; N114-L116 VanDerWaalsContact C-N 3.32Å; N114-L116 PolarHBondContact O-N 3.4Å; L116-I128 HydrophobicContact CB-CD1 4.48Å; L116-I128 HydrophobicContact CD2-CD1 4.27Å
117T88.1Confident89.1Confident41 Ų4167.4 Ų67.425%0.25234%0.338SS..Hα-helixtrans-91.9-17.7-172.762.30000113.1I113 N114 S119 P123I113-T117 HydrophobicContact CG2-CG2 4.38Å; I113-T117 WeakPolarHBondContact O-CB 3.49Å; I113-T117 VanDerWaalsContact O-CG2 3.24Å; I113-T117 WeakPolarHBondContact O-CG2 3.47Å; I113-T117 PolarHBondContact O-N 2.91Å; I113-T117 PolarHBondContact O-OG1 3.48Å; N114-T117 PolarHBondContact O-N 3.14Å; T117-S119 PolarHBondContact O-N 3.32Å; T117-S119 VanDerWaalsContact O-N 3.16Å; T117-P123 HydrophobicContact CG2-CG 3.52Å
118Q91.8Very high88.7Confident158 Ų15868.7 Ų68.774%0.73835%0.345SS*.  trans50.135.4-174-63.1-67.2-50.800112N114 D115N114-Q118 WeakPolarHBondContact O-CA 3.39Å; N114-Q118 PolarHBondContact O-N 2.91Å; D115-Q118 PolarHBondContact O-NE2 3.24Å
119S91Very high88.3Confident42 Ų4268.1 Ų68.129%0.29435%0.347SS..SBendtrans-134.5147.8-174.6177.10000109.9N114 T117 Y121N114-S119 PolarHBondContact OD1-O 3.4Å; T117-S119 PolarHBondContact O-N 3.32Å; T117-S119 VanDerWaalsContact O-N 3.16Å; S119-Y121 PolarHBondContact O-N 3.4Å; S119-Y121 PolarHBondContact OG-N 2.66Å; S119-Y121 VanDerWaalsContact OG-N 3.17Å
120I90.3Very high88.1Confident149 Ų14968.4 Ų68.476%0.76435%0.35SS*.SBendtrans-75.9-11173.762.1173.3000113
121Y89Confident88Confident171 Ų17166.7 Ų66.767%0.67134%0.341SS*.SBendtrans-103.7141.1-178.6-61.1-71.1000111S119 P123S119-Y121 PolarHBondContact O-N 3.4Å; S119-Y121 PolarHBondContact OG-N 2.66Å; S119-Y121 VanDerWaalsContact OG-N 3.17Å; Y121-P123 VanDerWaalsContact O-CD 3.27Å; Y121-P123 WeakPolarHBondContact O-CD 3.42Å
122I88.3Confident87.9Confident73 Ų7362.5 Ų62.537%0.37433%0.325SS..  trans-78.5115.6172.9-58171.1000108L110 I113 V126 M322L110-I122 HydrophobicContact CD2-CD1 3.82Å; I113-I122 HydrophobicContact CG2-CG2 4.44Å; I122-V126 HydrophobicContact CG2-CG1 4.16Å; I122-M322 HydrophobicContact CD1-CE 3.79Å
123P86.8Confident87.7Confident53 Ų5362.8 Ų62.834%0.34432%0.323SS..  trans-67.7149.6176.2-17.732.4000111.3T117 Y121 V126T117-P123 HydrophobicContact CG2-CG 3.52Å; Y121-P123 VanDerWaalsContact O-CD 3.27Å; Y121-P123 WeakPolarHBondContact O-CD 3.42Å; P123-V126 VanDerWaalsContact O-CG1 3.29Å; P123-V126 WeakPolarHBondContact O-CG1 3.36Å
124R83.1Confident87.6Confident80 Ų8069.4 Ų69.430%0.30236%0.358SS..THydrogen-bonded Turntrans-71.7144.7174.1-62.6-179.7-178.1-177.2-6.3110.7L51 E69 E70 N73 V126L51-R124 HydrophobicContact CD2-CB 4.04Å; E69-R124 WeakPolarHBondContact OE2-CA 3.36Å; E70-R124 IonicContact OE2-CZ 3.6Å; E70-R124 IonicContact OE2-NE 3.57Å; E70-R124 IonicContact OE2-NH2 3.51Å; E70-R124 PolarHBondContact OE2-NH2 2.63Å; N73-R124 PolarHBondContact ND2-NH2 2.84Å; R124-V126 PolarHBondContact O-N 3.39Å
125G81.4Confident87.6Confident15 Ų1569.8 Ų69.816%0.15536%0.36CS..THydrogen-bonded Turntrans70.710.8177.800000114.3S49 E69 N127S49-G125 WeakPolarHBondContact O-CA 3.48Å; E69-G125 PolarHBondContact OE2-N 2.99Å; G125-N127 PolarHBondContact O-N 3.14Å; G125-N127 VanDerWaalsContact O-N 3.16Å
126V85.1Confident87.7Confident19 Ų1972.9 Ų72.912%0.11537%0.369CS..  trans-65.3119.2-179.966.80000109.5R108 I113 I122 P123 R124 I128R108-V126 PolarHBondContact NH1-O 3.28Å; I113-V126 HydrophobicContact CD1-CG1 4.44Å; I122-V126 HydrophobicContact CG2-CG1 4.16Å; P123-V126 VanDerWaalsContact O-CG1 3.29Å; P123-V126 WeakPolarHBondContact O-CG1 3.36Å; R124-V126 PolarHBondContact O-N 3.39Å; V126-I128 HydrophobicContact CG2-CD1 3.62Å; V126-I128 HydrophobicContact CG2-CG1 3.85Å
127N82.1Confident88Confident50 Ų5068.5 Ų68.527%0.26734%0.344SS..  trans-113.293.5-179.5-168.719.5000109.4R45 G125R45-N127 PolarHBondContact NH2-OD1 2.77Å; G125-N127 PolarHBondContact O-N 3.14Å; G125-N127 VanDerWaalsContact O-N 3.16Å
128I84.9Confident88.3Confident34 Ų3471.9 Ų71.917%0.17436%0.357CS..  trans-117141.2176.5-65.6168.8000107.2P109 I113 L116 V126P109-I128 HydrophobicContact CG-CG2 4.16Å; I113-I128 HydrophobicContact CB-CD1 4.35Å; I113-I128 HydrophobicContact CG1-CD1 3.67Å; L116-I128 HydrophobicContact CB-CD1 4.48Å; L116-I128 HydrophobicContact CD2-CD1 4.27Å; V126-I128 HydrophobicContact CG2-CD1 3.62Å; V126-I128 HydrophobicContact CG2-CG1 3.85Å
129G83.9Confident88.4Confident15 Ų1564.4 Ų64.416%0.15532%0.322CS..  trans-60.5145175.400000111P109 L131P109-G129 WeakPolarHBondContact CD-O 3.42Å; G129-L131 VanDerWaalsContact C-N 3.27Å; G129-L131 PolarHBondContact O-N 3.14Å
130A89.6Confident88.6Confident11 Ų1164 Ų649%0.09132%0.319CS..SBendtrans-64.6-37.4-179.300000111.3E93 F103 Q107E93-A130 HydrophobicContact CB-CB 4.1Å; E93-A130 HydrophobicContact CG-CB 4.27Å; F103-A130 WeakPolarHBondContact CE1-O 3.36Å; Q107-A130 HydrophobicContact CG-CB 4.09Å; Q107-A130 WeakPolarHBondContact O-CA 3.28Å; Q107-A130 VanDerWaalsContact O-CB 3.25Å; Q107-A130 WeakPolarHBondContact O-CB 3.34Å
131L91Very high88.6Confident5 Ų558.7 Ų58.73%0.02629%0.294CS..SBendtrans-114.1140.5179.7-57.1173.7000111.2E93 I98 F103 G129 I191 V210E93-L131 HydrophobicContact CB-CD1 4.26Å; E93-L131 HydrophobicContact CB-CG 4.49Å; I98-L131 HydrophobicContact CG1-CD2 3.64Å; F103-L131 HydrophobicContact CZ-CD2 4.42Å; G129-L131 VanDerWaalsContact C-N 3.27Å; G129-L131 PolarHBondContact O-N 3.14Å; L131-I191 HydrophobicContact CB-CD1 3.82Å; L131-I191 HydrophobicContact CD1-CD1 4.44Å; L131-V210 HydrophobicContact CD1-CG1 3.52Å
132N88.6Confident88.4Confident56 Ų5651.4 Ų51.430%0.29927%0.271SS..  trans-71.2129.7179.5-172.1-32.3000110.8D134 L135 I191N132-D134 WeakPolarHBondContact OD1-CB 3.44Å; N132-D134 PolarHBondContact OD1-N 3.01Å; N132-L135 HydrophobicContact CB-CD1 3.96Å; N132-L135 HydrophobicContact CB-CG 4.14Å; N132-L135 PolarHBondContact OD1-N 3.37Å; N132-I191 VanDerWaalsContact O-CD1 3.31Å; N132-I191 WeakPolarHBondContact O-CD1 3.42Å
133R86.9Confident88Confident55 Ų5558.1 Ų58.121%0.20830%0.297CS..SBendtrans-98.1-12.9-175.4-63.7-178.5-176-172.11.2114.6D3 S5 E93 L135 D190D3-R133 VanDerWaalsContact CG-NH1 3.33Å; D3-R133 IonicContact OD1-CZ 2.72Å; D3-R133 IonicContact OD1-NH1 2.74Å; D3-R133 PolarHBondContact OD1-NH1 2.74Å; D3-R133 IonicContact OD1-NH2 3.03Å; D3-R133 PolarHBondContact OD1-NH2 2.77Å; D3-R133 IonicContact OD2-CZ 2.77Å; D3-R133 VanDerWaalsContact OD2-CZ 3.26Å; D3-R133 IonicContact OD2-NH1 2.77Å; D3-R133 PolarHBondContact OD2-NH1 3.23Å; D3-R133 IonicContact OD2-NH2 3.86Å; D3-R133 PolarHBondContact OD2-NH2 3.25Å; S5-R133 PolarHBondContact OG-NH1 2.83Å; S5-R133 PolarHBondContact OG-NH2 3.43Å; E93-R133 IonicContact OE1-NH2 2.71Å; R133-L135 VanDerWaalsContact C-N 3.31Å; R133-D190 WeakPolarHBondContact O-CB 3.48Å
134D88.4Confident87.6Confident142 Ų14260.6 Ų60.676%0.75932%0.316SS*.SBendtrans-81.8-22.3177.9-56.2-39.6000110.5N132 K136N132-D134 WeakPolarHBondContact OD1-CB 3.44Å; N132-D134 PolarHBondContact OD1-N 3.01Å; D134-K136 PolarHBondContact O-N 3.3Å
135L90Very high87.7Confident86 Ų8658.4 Ų58.445%0.4531%0.31SS..  trans-70.1126.2175.1-66.1179.8000111.1N132 R133 W137N132-L135 HydrophobicContact CB-CD1 3.96Å; N132-L135 HydrophobicContact CB-CG 4.14Å; N132-L135 PolarHBondContact OD1-N 3.37Å; R133-L135 VanDerWaalsContact C-N 3.31Å; L135-W137 HydrophobicContact CB-CZ2 4.36Å; L135-W137 HydrophobicContact CD1-CZ2 4.14Å
136K93.3Very high88Confident150 Ų15066.7 Ų66.765%0.65234%0.337SS*.  trans-98.4134.8174.6-61.8-170.1178.1-169.30110.4D134 N188 Y189D134-K136 PolarHBondContact O-N 3.3Å; K136-N188 HydrophobicContact CB-CB 4.36Å; K136-Y189 CarbonylContact C-O 3.56Å; K136-Y189 WeakPolarHBondContact CA-O 3.41Å
137W94.5Very high88.3Confident33 Ų3370.8 Ų70.813%0.12536%0.362CS..EExtended strand (participates in β ladder)trans-115.6138.9-177-61101.7000110.7P96 L135 F139 V160 E162 N188 Y189P96-W137 HydrophobicContact CB-CD2 4.1Å; P96-W137 HydrophobicContact CB-CG 4.28Å; P96-W137 HydrophobicContact CG-CG 4.28Å; L135-W137 HydrophobicContact CB-CZ2 4.36Å; L135-W137 HydrophobicContact CD1-CZ2 4.14Å; W137-F139 PolarHBondContact O-N 3.1Å; W137-V160 HydrophobicContact CB-CG1 3.67Å; W137-V160 HydrophobicContact CD2-CG1 4.27Å; W137-V160 HydrophobicContact CE3-CG1 4.13Å; W137-V160 HydrophobicContact CG-CG1 4.12Å; W137-E162 HydrophobicContact CH2-CG 4.2Å; W137-E162 HydrophobicContact CZ3-CB 4.4Å; W137-E162 HydrophobicContact CZ3-CG 4.18Å; W137-N188 WeakPolarHBondContact O-CA 3.46Å; W137-Y189 PolarHBondContact N-O 2.7Å; W137-Y189 PolarHBondContact O-N 3.3Å
138E94.3Very high88.7Confident113 Ų11370.6 Ų70.653%0.52837%0.371SS..EExtended strand (participates in β ladder)trans-75.6104.9173.9-171.5179.8-17700109.5
139F94.4Very high89.1Confident0 Ų070.7 Ų70.70%038%0.375CS..EExtended strand (participates in β ladder)trans-92.3133.3177.8179.7-104.5000111W137 P141 Y157 V160 I170 P186 G187 Y189 V195 M209W137-F139 PolarHBondContact O-N 3.1Å; F139-P141 HydrophobicContact CE1-CB 3.94Å; F139-P141 HydrophobicContact CE1-CG 4.42Å; F139-P141 HydrophobicContact CZ-CB 4.33Å; F139-Y157 HydrophobicContact CE2-CD2 4.49Å; F139-Y157 HydrophobicContact CE2-CE2 4.31Å; F139-Y157 HydrophobicContact CZ-CD2 4.17Å; F139-Y157 HydrophobicContact CZ-CE2 4.24Å; F139-V160 HydrophobicContact CB-CG2 4.44Å; F139-V160 HydrophobicContact CD2-CG2 3.89Å; F139-I170 HydrophobicContact CE2-CG1 4.33Å; F139-P186 VanDerWaalsContact O-CA 3.24Å; F139-P186 WeakPolarHBondContact O-CA 3.35Å; F139-G187 PolarHBondContact N-O 2.84Å; F139-G187 PolarHBondContact O-N 2.71Å; F139-G187 VanDerWaalsContact O-N 3.14Å; F139-Y189 HydrophobicContact CB-CD2 3.82Å; F139-Y189 HydrophobicContact CB-CE2 4.4Å; F139-V195 HydrophobicContact CD1-CG1 3.89Å; F139-V195 HydrophobicContact CD2-CG1 4.09Å; F139-V195 HydrophobicContact CE1-CG1 3.33Å; F139-V195 HydrophobicContact CE2-CG1 3.55Å; F139-V195 HydrophobicContact CG-CG1 4.25Å; F139-V195 HydrophobicContact CZ-CG1 3.16Å; F139-M209 HydrophobicContact CB-CE 3.6Å; F139-M209 HydrophobicContact CD2-CE 3.89Å; F139-M209 HydrophobicContact CG-CE 3.9Å
140S93.9Very high89.5Confident34 Ų3477.5 Ų77.524%0.23840%0.402CS..EExtended strand (participates in β ladder)trans-124.3114.3172.7-72.90000110.2G158 M159S140-G158 CarbonylContact O-C 3.55Å; S140-G158 VanDerWaalsContact O-CA 3.28Å; S140-G158 WeakPolarHBondContact O-CA 3.19Å; S140-M159 PolarHBondContact N-O 3.37Å; S140-M159 PolarHBondContact O-N 3.44Å
141P91.8Very high89.7Confident38 Ų3877.3 Ų77.325%0.24740%0.4CS..EExtended strand (participates in β ladder)trans-66.6151178.126.8-33000111.8F139 K143 V183F139-P141 HydrophobicContact CE1-CB 3.94Å; F139-P141 HydrophobicContact CE1-CG 4.42Å; F139-P141 HydrophobicContact CZ-CB 4.33Å; P141-K143 PolarHBondContact O-N 3.07Å; P141-V183 HydrophobicContact CB-CG1 3.88Å
142G84.4Confident89.8Confident17 Ų1780.3 Ų80.318%0.17542%0.418CS..  trans-62.3129.6176.900000111.5S144 L145 Y157G142-S144 PolarHBondContact O-N 3.27Å; G142-L145 WeakPolarHBondContact O-CB 3.48Å; G142-L145 PolarHBondContact O-N 3.27Å; G142-Y157 PolarHBondContact N-O 3.39Å
143K79.7Confident90Very high215 Ų21577.9 Ų77.994%0.93541%0.406SS*.THydrogen-bonded Turntrans-58.3-26-175.1-65.1-176.5179.8-179.40114.4P141P141-K143 PolarHBondContact O-N 3.07Å
144S78.3Confident90.3Very high105 Ų10575.6 Ų75.673%0.73440%0.4SS*.THydrogen-bonded Turntrans-82.7-14.6-179.948.70000113.6G142G142-S144 PolarHBondContact O-N 3.27Å
145L85.1Confident90.5Very high34 Ų3469.4 Ų69.418%0.17837%0.367CS..  trans-87.9124.8-172-157.676.5000110.9G142 I151 V180 V183 M196G142-L145 WeakPolarHBondContact O-CB 3.48Å; G142-L145 PolarHBondContact O-N 3.27Å; L145-I151 HydrophobicContact CD1-CD1 4.22Å; L145-V180 HydrophobicContact CD1-CG2 4.08Å; L145-V180 HydrophobicContact CD2-CG2 4.46Å; L145-V180 HydrophobicContact CG-CG2 4.32Å; L145-V183 HydrophobicContact CD2-CG1 4.34Å; L145-V183 HydrophobicContact CD2-CG2 3.8Å; L145-V183 HydrophobicContact CG-CG2 4.42Å; L145-M196 HydrophobicContact CD2-CE 3.44Å; L145-M196 VanDerWaalsContact CD2-CE 3.44Å
146R87.9Confident90.7Very high189 Ų18966.7 Ų66.771%0.71335%0.353SS*.  trans-128.2159.1175.2-61.2-177.1-176.8-178.51110G148 S149R146-G148 PolarHBondContact O-N 2.9Å; R146-S149 PolarHBondContact N-OG 3.44Å; R146-S149 VanDerWaalsContact O-CB 3.24Å; R146-S149 WeakPolarHBondContact O-CB 3.43Å; R146-S149 PolarHBondContact O-N 3.33Å; R146-S149 PolarHBondContact O-OG 2.9Å; R146-S149 VanDerWaalsContact O-OG 3.11Å
147V91.9Very high90.7Very high105 Ų10559.7 Ų59.764%0.63632%0.322SS*.THydrogen-bonded Turntrans-59.5128.9167.9179.10000108.3T181V147-T181 VanDerWaalsContact CG1-O 3.3Å; V147-T181 WeakPolarHBondContact CG1-O 3.46Å
148G90.2Very high90.6Very high46 Ų4658.1 Ų58.147%0.47432%0.316SS..THydrogen-bonded Turntrans93.7-6.8-173.200000115R146 T179 V180R146-G148 PolarHBondContact O-N 2.9Å; G148-T179 WeakPolarHBondContact O-CG2 3.24Å; G148-V180 PolarHBondContact N-O 3.34Å
149S92Very high90.5Very high35 Ų3556.5 Ų56.525%0.24531%0.31CS..  trans-71142.8174.9-64.30000111.6R146 V180R146-S149 PolarHBondContact N-OG 3.44Å; R146-S149 VanDerWaalsContact O-CB 3.24Å; R146-S149 WeakPolarHBondContact O-CB 3.43Å; R146-S149 PolarHBondContact O-N 3.33Å; R146-S149 PolarHBondContact O-OG 2.9Å; R146-S149 VanDerWaalsContact O-OG 3.11Å; S149-V180 WeakPolarHBondContact O-CG2 3.4Å; S149-V180 PolarHBondContact O-N 2.9Å
150H92.4Very high90.6Very high158 Ų15856.6 Ų56.673%0.73131%0.31SS*.EExtended strand (participates in β ladder)trans-80.4137.6169.4-62.5-63.2000110.4T179H150-T179 PolarHBondContact CE1-OG1 3.21Å; H150-T179 PolarHBondContact ND1-OG1 3.3Å; H150-T179 VanDerWaalsContact ND1-OG1 3.15Å
151I93.8Very high90.4Very high8 Ų859.6 Ų59.64%0.04132%0.319CS..EExtended strand (participates in β ladder)trans-135.2144.4178.3-166.2174.4000109.8L145 D155 L172 R177 G178 V180 M196 L198L145-I151 HydrophobicContact CD1-CD1 4.22Å; I151-D155 HydrophobicContact CD1-CB 3.86Å; I151-D155 HydrophobicContact CG1-CB 3.45Å; I151-D155 VanDerWaalsContact CG1-CB 3.45Å; I151-D155 VanDerWaalsContact CG1-OD2 3.29Å; I151-D155 WeakPolarHBondContact CG1-OD2 3.37Å; I151-L172 HydrophobicContact CD1-CB 4.45Å; I151-L172 HydrophobicContact CD1-CD2 4.44Å; I151-L172 HydrophobicContact CG1-CD2 4.26Å; I151-L172 HydrophobicContact CG2-CD2 4.05Å; I151-R177 WeakPolarHBondContact O-CA 3.3Å; I151-G178 PolarHBondContact N-O 3.39Å; I151-G178 PolarHBondContact O-N 3.04Å; I151-V180 HydrophobicContact CB-CG2 4.32Å; I151-V180 HydrophobicContact CG2-CG2 3.94Å; I151-M196 HydrophobicContact CD1-CE 4.23Å; I151-M196 HydrophobicContact CD1-SD 4.35Å; I151-L198 HydrophobicContact CG2-CD1 3.65Å; I151-L198 HydrophobicContact CG2-CD2 3.5Å; I151-L198 HydrophobicContact CG2-CG 4.24Å
152T94Very high90.3Very high67 Ų6758.4 Ų58.441%0.41131%0.31SS..  trans-120.8168.6177.8-167.10000111.6G154 D155 N176T152-G154 PolarHBondContact O-N 3.25Å; T152-D155 VanDerWaalsContact CG2-OD1 3.26Å; T152-D155 WeakPolarHBondContact CG2-OD1 3.3Å; T152-D155 PolarHBondContact N-OD2 3.44Å; T152-D155 VanDerWaalsContact O-CB 3.28Å; T152-D155 WeakPolarHBondContact O-CB 3.46Å; T152-D155 PolarHBondContact O-N 3.12Å; T152-N176 CarbonylContact C-O 3.55Å
153G93.4Very high90.5Very high5 Ų559.7 Ų59.75%0.05231%0.313CS..THydrogen-bonded Turntrans-61.4133.6-17900000111.5P173 N176G153-P173 WeakPolarHBondContact CA-O 3.36Å; G153-N176 VanDerWaalsContact CA-O 3.26Å; G153-N176 WeakPolarHBondContact CA-O 3.36Å; G153-N176 PolarHBondContact N-O 3.07Å
154G92Very high90.9Very high8 Ų853.1 Ų53.18%0.08229%0.294CS..THydrogen-bonded Turntrans90.4-11.6-175.900000114.8T152 L172 L399 R404T152-G154 PolarHBondContact O-N 3.25Å; G154-L172 PolarHBondContact N-O 3.27Å; G154-L399 CarbonylContact C-O 3.57Å; G154-R404 PolarHBondContact O-NH2 3.21Å
155D93.9Very high91.3Very high12 Ų1250 Ų506%0.06427%0.269CS..  trans-63.9137.7178-70.5-2.3000111.3I151 T152 Y157 M171 L172 G400 N401I151-D155 HydrophobicContact CD1-CB 3.86Å; I151-D155 HydrophobicContact CG1-CB 3.45Å; I151-D155 VanDerWaalsContact CG1-CB 3.45Å; I151-D155 VanDerWaalsContact CG1-OD2 3.29Å; I151-D155 WeakPolarHBondContact CG1-OD2 3.37Å; T152-D155 VanDerWaalsContact CG2-OD1 3.26Å; T152-D155 WeakPolarHBondContact CG2-OD1 3.3Å; T152-D155 PolarHBondContact N-OD2 3.44Å; T152-D155 VanDerWaalsContact O-CB 3.28Å; T152-D155 WeakPolarHBondContact O-CB 3.46Å; T152-D155 PolarHBondContact O-N 3.12Å; D155-Y157 PolarHBondContact O-N 3.49Å; D155-M171 WeakPolarHBondContact O-CA 3.07Å; D155-L172 PolarHBondContact O-N 3.11Å; D155-G400 VanDerWaalsContact OD1-C 3.3Å; D155-G400 WeakPolarHBondContact OD1-CA 3.16Å; D155-N401 WeakPolarHBondContact CA-O 3.17Å; D155-N401 PolarHBondContact OD1-N 3.36Å
156I93.7Very high91.6Very high29 Ų2948.6 Ų48.615%0.14926%0.262CS..EExtended strand (participates in β ladder)trans-80.8120.6173.6-62.9165.1000108.5G158 K169 I170 M171 N401 P402I156-G158 WeakPolarHBondContact CG2-O 3.49Å; I156-K169 HydrophobicContact CD1-CB 3.98Å; I156-K169 HydrophobicContact CD1-CD 3.54Å; I156-K169 HydrophobicContact CD1-CG 4.26Å; I156-K169 HydrophobicContact CG1-CB 4.14Å; I156-K169 HydrophobicContact CG2-CB 4.18Å; I156-I170 WeakPolarHBondContact CA-O 3.49Å; I156-M171 HydrophobicContact CG1-CG 3.88Å; I156-N401 PolarHBondContact N-O 3.31Å; I156-P402 HydrophobicContact CD1-CG 4.14Å
157Y92.4Very high91.8Very high2 Ų244.9 Ų44.91%0.00825%0.251CS..EExtended strand (participates in β ladder)trans-110.4-12.5178.566.9-101.2000114.2F139 G142 D155 I170 L172 V195 M196 T208F139-Y157 HydrophobicContact CE2-CD2 4.49Å; F139-Y157 HydrophobicContact CE2-CE2 4.31Å; F139-Y157 HydrophobicContact CZ-CD2 4.17Å; F139-Y157 HydrophobicContact CZ-CE2 4.24Å; G142-Y157 PolarHBondContact N-O 3.39Å; D155-Y157 PolarHBondContact O-N 3.49Å; Y157-I170 HydrophobicContact CE1-CG2 3.71Å; Y157-I170 HydrophobicContact CE2-CB 4.32Å; Y157-I170 HydrophobicContact CE2-CG2 3.73Å; Y157-I170 PolarHBondContact N-O 3.25Å; Y157-I170 WeakPolarHBondContact OH-CG2 3.29Å; Y157-L172 HydrophobicContact CD1-CB 4.4Å; Y157-V195 HydrophobicContact CE2-CB 4.46Å; Y157-V195 HydrophobicContact CE2-CG1 3.88Å; Y157-M196 HydrophobicContact CD1-CE 4.02Å; Y157-M196 HydrophobicContact CD1-SD 4.34Å; Y157-M196 HydrophobicContact CD2-CE 3.48Å; Y157-M196 VanDerWaalsContact CD2-CE 3.48Å; Y157-M196 HydrophobicContact CD2-SD 4.48Å; Y157-M196 HydrophobicContact CE2-CB 4.43Å; Y157-M196 HydrophobicContact CE2-CE 4.2Å; Y157-M196 HydrophobicContact CG-CE 3.34Å; Y157-M196 HydrophobicContact CG-SD 4.23Å; Y157-T208 PolarHBondContact OH-O 3.08Å
158G92.3Very high92Very high0 Ų039.9 Ų39.90%022%0.221CC..EExtended strand (participates in β ladder)trans-164.5170.8175.800000112.7S140 I156 I170S140-G158 CarbonylContact O-C 3.55Å; S140-G158 VanDerWaalsContact O-CA 3.28Å; S140-G158 WeakPolarHBondContact O-CA 3.19Å; I156-G158 WeakPolarHBondContact CG2-O 3.49Å; G158-I170 PolarHBondContact O-N 3.5Å
159M93.9Very high92.2Very high80 Ų8040 Ų4039%0.39421%0.208SC..EExtended strand (participates in β ladder)trans-130.5140.8178.5-65.1-175.3-65.600109.3S140 H168S140-M159 PolarHBondContact N-O 3.37Å; S140-M159 PolarHBondContact O-N 3.44Å; M159-H168 WeakPolarHBondContact CA-O 3.45Å
160V94.9Very high92.3Very high1 Ų138.4 Ų38.41%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-124.2133.6174.8170.70000108.1P96 W137 F139 E162 H168 I170 M209P96-V160 HydrophobicContact CB-CG1 4.01Å; P96-V160 HydrophobicContact CG-CG1 4.49Å; W137-V160 HydrophobicContact CB-CG1 3.67Å; W137-V160 HydrophobicContact CD2-CG1 4.27Å; W137-V160 HydrophobicContact CE3-CG1 4.13Å; W137-V160 HydrophobicContact CG-CG1 4.12Å; F139-V160 HydrophobicContact CB-CG2 4.44Å; F139-V160 HydrophobicContact CD2-CG2 3.89Å; V160-E162 PolarHBondContact O-N 2.96Å; V160-H168 HydrophobicContact CB-CB 4.3Å; V160-H168 PolarHBondContact N-O 3.36Å; V160-H168 WeakPolarHBondContact O-CA 3.28Å; V160-H168 WeakPolarHBondContact O-CB 3.44Å; V160-H168 PolarHBondContact O-N 3.14Å; V160-I170 HydrophobicContact CB-CD1 4.37Å; V160-I170 HydrophobicContact CB-CG1 4.48Å; V160-I170 HydrophobicContact CG2-CD1 3.91Å; V160-I170 HydrophobicContact CG2-CG1 3.8Å; V160-M209 HydrophobicContact CG2-CE 4.47Å; V160-M209 HydrophobicContact CG2-SD 3.84Å
161F90.8Very high92.4Very high98 Ų9831.1 Ų31.143%0.4316%0.163SC..EExtended strand (participates in β ladder)trans-83.999.5171.4-68.1-82.1000108.8K167F161-K167 HydrophobicContact CD1-CG 4.15Å; F161-K167 HydrophobicContact CE1-CD 4.05Å; F161-K167 HydrophobicContact CE1-CG 3.94Å
162E89.8Confident92.4Very high13 Ų1330.8 Ų30.86%0.06116%0.161CC..  trans-79.2-47.6178.6-176.9170.8-164.600110.5G97 I98 M99 W137 V160 H168G97-E162 VanDerWaalsContact CA-OE1 3.31Å; G97-E162 WeakPolarHBondContact CA-OE1 3.38Å; G97-E162 PolarHBondContact N-OE1 3.05Å; I98-E162 PolarHBondContact N-OE1 3.27Å; M99-E162 HydrophobicContact CB-CG 4.27Å; M99-E162 WeakPolarHBondContact CB-OE1 3.27Å; M99-E162 WeakPolarHBondContact CG-OE2 3.11Å; M99-E162 PolarHBondContact N-OE1 3.11Å; W137-E162 HydrophobicContact CH2-CG 4.2Å; W137-E162 HydrophobicContact CZ3-CB 4.4Å; W137-E162 HydrophobicContact CZ3-CG 4.18Å; V160-E162 PolarHBondContact O-N 2.96Å; E162-H168 HydrophobicContact CB-CB 4.16Å; E162-H168 IonicContact OE2-CE1 3.53Å; E162-H168 IonicContact OE2-CG 2.66Å; E162-H168 IonicContact OE2-ND1 3.83Å; E162-H168 PolarHBondContact OE2-ND1 3.32Å
163N87.8Confident92.4Very high44 Ų4428.7 Ų28.724%0.23515%0.149CC..SBendtrans-138.8174.7178-75.4-36.1000110.2L165 I166 K311N163-L165 PolarHBondContact O-N 3.49Å; N163-I166 PolarHBondContact N-O 2.97Å; N163-K311 HydrophobicContact CB-CB 4.23Å; N163-K311 PolarHBondContact ND2-O 2.85Å
164S87.6Confident92.3Very high77 Ų7729.6 Ų29.654%0.53815%0.154SC..SBendtrans-61.4-26.8174.142.60000113.7E307 K311S164-E307 VanDerWaalsContact CB-OE1 3.24Å; S164-E307 WeakPolarHBondContact CB-OE1 3.45Å; S164-E307 PolarHBondContact OG-OE1 3.17Å; S164-E307 PolarHBondContact OG-OE2 3.36Å; S164-K311 PolarHBondContact OG-NZ 3.08Å
165L87.3Confident92.3Very high39 Ų3936.3 Ų36.320%0.20418%0.181CC..SBendtrans-93.9-46.6179.6-61.297.4000113.2N163 M300 V302 E307 K311N163-L165 PolarHBondContact O-N 3.49Å; L165-M300 HydrophobicContact CD2-CE 3.71Å; L165-M300 HydrophobicContact CD2-SD 4.36Å; L165-V302 HydrophobicContact CD2-CB 4.36Å; L165-V302 HydrophobicContact CD2-CG2 3.93Å; L165-E307 HydrophobicContact CD1-CB 3.66Å; L165-E307 HydrophobicContact CD1-CG 3.84Å; L165-E307 HydrophobicContact CD2-CB 4.21Å; L165-E307 HydrophobicContact CG-CB 4.3Å; L165-E307 HydrophobicContact CG-CG 4.34Å; L165-K311 HydrophobicContact CD1-CB 3.77Å; L165-K311 HydrophobicContact CD1-CD 3.88Å
166I91Very high92.1Very high5 Ų536.7 Ų36.73%0.02618%0.183CC..  trans-98.4121.8-168.9-58.2-58.6000110.5M99 N163 V275 R312 Y346M99-I166 HydrophobicContact CE-CG1 4.18Å; M99-I166 HydrophobicContact CE-CG2 4.03Å; M99-I166 HydrophobicContact CG-CG2 4.46Å; N163-I166 PolarHBondContact N-O 2.97Å; I166-V275 HydrophobicContact CD1-CG2 3.93Å; I166-R312 HydrophobicContact CD1-CB 4.24Å; I166-R312 HydrophobicContact CG1-CB 4.25Å; I166-Y346 HydrophobicContact CG2-CE2 4.39Å
167K92.6Very high92.1Very high111 Ų11142.7 Ų42.748%0.48320%0.204SC..EExtended strand (participates in β ladder)trans-95.3103.1170.4-61.8-178.6-172.1176.20108F161 K169 Y346F161-K167 HydrophobicContact CD1-CG 4.15Å; F161-K167 HydrophobicContact CE1-CD 4.05Å; F161-K167 HydrophobicContact CE1-CG 3.94Å; K167-K169 PolarHBondContact O-N 3.35Å; K167-Y346 PolarHBondContact N-OH 3.41Å; K167-Y346 PolarHBondContact O-OH 2.94Å
168H95.5Very high92.1Very high0 Ų043 Ų430%021%0.207CC..EExtended strand (participates in β ladder)trans-73.7111.9-177.1-157111.8000109.8G95 M159 V160 E162 Y340 F341 M344G95-H168 PolarHBondContact O-CE1 2.9Å; M159-H168 WeakPolarHBondContact CA-O 3.45Å; V160-H168 HydrophobicContact CB-CB 4.3Å; V160-H168 PolarHBondContact N-O 3.36Å; V160-H168 WeakPolarHBondContact O-CA 3.28Å; V160-H168 WeakPolarHBondContact O-CB 3.44Å; V160-H168 PolarHBondContact O-N 3.14Å; E162-H168 HydrophobicContact CB-CB 4.16Å; E162-H168 IonicContact OE2-CE1 3.53Å; E162-H168 IonicContact OE2-CG 2.66Å; E162-H168 IonicContact OE2-ND1 3.83Å; E162-H168 PolarHBondContact OE2-ND1 3.32Å; H168-Y340 AromaticContact CE1-CE1 3.69Å; H168-Y340 AromaticContact NE2-CE1 3.5Å; H168-Y340 WeakPolarHBondContact NE2-CE1 3.21Å; H168-Y340 AromaticContact NE2-CZ 3.52Å; H168-Y340 PolarHBondContact NE2-OH 3.11Å; H168-F341 AromaticContact CE1-CE1 3.99Å; H168-M344 WeakPolarHBondContact NE2-CE 3.23Å
169K94.8Very high92.3Very high47 Ų4745.1 Ų45.120%0.20422%0.22CC..EExtended strand (participates in β ladder)trans-88.5114.2-179.5-55.9179.8-160.3166.60108.3I156 K167 M171 M344I156-K169 HydrophobicContact CD1-CB 3.98Å; I156-K169 HydrophobicContact CD1-CD 3.54Å; I156-K169 HydrophobicContact CD1-CG 4.26Å; I156-K169 HydrophobicContact CG1-CB 4.14Å; I156-K169 HydrophobicContact CG2-CB 4.18Å; K167-K169 PolarHBondContact O-N 3.35Å; K169-M171 PolarHBondContact O-N 3.42Å; K169-M344 HydrophobicContact CB-CB 4.31Å; K169-M344 HydrophobicContact CB-CG 4.2Å; K169-M344 HydrophobicContact CB-SD 4.42Å; K169-M344 HydrophobicContact CD-CB 4.29Å; K169-M344 WeakPolarHBondContact CD-O 3.43Å; K169-M344 WeakPolarHBondContact CE-O 3.43Å; K169-M344 PolarHBondContact NZ-O 2.99Å
170I94.9Very high92.3Very high2 Ų241.4 Ų41.41%0.0120%0.202CC..EExtended strand (participates in β ladder)trans-81.2121.7179.7-48.9-66000108.4F139 I156 Y157 G158 V160 M209F139-I170 HydrophobicContact CE2-CG1 4.33Å; I156-I170 WeakPolarHBondContact CA-O 3.49Å; Y157-I170 HydrophobicContact CE1-CG2 3.71Å; Y157-I170 HydrophobicContact CE2-CB 4.32Å; Y157-I170 HydrophobicContact CE2-CG2 3.73Å; Y157-I170 PolarHBondContact N-O 3.25Å; Y157-I170 WeakPolarHBondContact OH-CG2 3.29Å; G158-I170 PolarHBondContact O-N 3.5Å; V160-I170 HydrophobicContact CB-CD1 4.37Å; V160-I170 HydrophobicContact CB-CG1 4.48Å; V160-I170 HydrophobicContact CG2-CD1 3.91Å; V160-I170 HydrophobicContact CG2-CG1 3.8Å; I170-M209 HydrophobicContact CD1-CB 4.36Å
171M94.4Very high92.3Very high5 Ų543 Ų433%0.02521%0.212CC..EExtended strand (participates in β ladder)trans-117147.6-172.9-63.2174.5-67.100111.3D155 I156 K169 Y340 D343 M344 R404D155-M171 WeakPolarHBondContact O-CA 3.07Å; I156-M171 HydrophobicContact CG1-CG 3.88Å; K169-M171 PolarHBondContact O-N 3.42Å; M171-Y340 HydrophobicContact CE-CD2 4.02Å; M171-Y340 HydrophobicContact CE-CE2 3.68Å; M171-D343 HydrophobicContact CE-CB 3.92Å; M171-D343 HydrophobicContact SD-CB 4.07Å; M171-D343 VanDerWaalsContact SD-O 3.35Å; M171-M344 HydrophobicContact CE-CE 4.24Å; M171-M344 HydrophobicContact CE-CG 3.53Å; M171-M344 HydrophobicContact SD-CG 4.14Å; M171-R404 PolarHBondContact SD-NH1 3.18Å
172L94.3Very high92.4Very high1 Ų143 Ų431%0.00521%0.21CC..  trans-70138.6172.4-167.470.2000110.5I151 G154 D155 Y157 N176 M196 L198 F207I151-L172 HydrophobicContact CD1-CB 4.45Å; I151-L172 HydrophobicContact CD1-CD2 4.44Å; I151-L172 HydrophobicContact CG1-CD2 4.26Å; I151-L172 HydrophobicContact CG2-CD2 4.05Å; G154-L172 PolarHBondContact N-O 3.27Å; D155-L172 PolarHBondContact O-N 3.11Å; Y157-L172 HydrophobicContact CD1-CB 4.4Å; L172-N176 HydrophobicContact CD2-CB 4.17Å; L172-N176 WeakPolarHBondContact CD2-O 3.46Å; L172-N176 HydrophobicContact CG-CB 4.17Å; L172-M196 HydrophobicContact CD1-SD 4.3Å; L172-L198 HydrophobicContact CD1-CD1 3.59Å; L172-L198 HydrophobicContact CD2-CD1 3.56Å; L172-L198 HydrophobicContact CG-CD1 4.24Å; L172-F207 HydrophobicContact CD1-CD1 3.75Å; L172-F207 HydrophobicContact CD1-CD2 4.16Å; L172-F207 HydrophobicContact CD1-CE1 3.69Å; L172-F207 HydrophobicContact CD1-CE2 4.13Å; L172-F207 HydrophobicContact CD1-CG 3.99Å; L172-F207 HydrophobicContact CD1-CZ 3.9Å
173P94.1Very high92.6Very high24 Ų2443.7 Ų43.716%0.15622%0.215CC..  trans-54.5140.5175.6-28.236.4000112.6G153 K175 N176 F207 Q211G153-P173 WeakPolarHBondContact CA-O 3.36Å; P173-K175 VanDerWaalsContact C-N 3.26Å; P173-K175 PolarHBondContact O-N 3.42Å; P173-N176 PolarHBondContact O-N 2.71Å; P173-N176 VanDerWaalsContact O-N 3.08Å; P173-F207 HydrophobicContact CG-CD1 4.19Å; P173-F207 HydrophobicContact CG-CE1 4.06Å; P173-Q211 HydrophobicContact CG-CB 3.97Å
174P91.4Very high92.9Very high24 Ų2441.6 Ų41.616%0.15620%0.204CC..THydrogen-bonded Turntrans-60.6-25.7-169.4-27.333.2000116.7N176 W213 P220P174-N176 VanDerWaalsContact C-N 3.31Å; P174-W213 HydrophobicContact CB-CH2 4.47Å; P174-W213 HydrophobicContact CB-CZ3 4.38Å; P174-W213 HydrophobicContact CG-CH2 4.17Å; P174-W213 HydrophobicContact CG-CZ3 3.89Å; P174-P220 HydrophobicContact CB-CG 3.4Å; P174-P220 HydrophobicContact CG-CG 3.86Å
175K90.3Very high93.1Very high148 Ų14841.3 Ų41.364%0.64320%0.201SC*.THydrogen-bonded Turntrans-85.4-5.1-177.6-62.8-178.9-175.4171.50113P173P173-K175 VanDerWaalsContact C-N 3.26Å; P173-K175 PolarHBondContact O-N 3.42Å
176N90.8Very high93.5Very high21 Ų2143.9 Ų43.911%0.11222%0.22CC..  trans-104.3140.5-171.7-81.298.7000111.3K1 T152 G153 L172 P173 P174 E205 F207K1-N176 PolarHBondContact NZ-OD1 2.83Å; T152-N176 CarbonylContact C-O 3.55Å; G153-N176 VanDerWaalsContact CA-O 3.26Å; G153-N176 WeakPolarHBondContact CA-O 3.36Å; G153-N176 PolarHBondContact N-O 3.07Å; L172-N176 HydrophobicContact CD2-CB 4.17Å; L172-N176 WeakPolarHBondContact CD2-O 3.46Å; L172-N176 HydrophobicContact CG-CB 4.17Å; P173-N176 PolarHBondContact O-N 2.71Å; P173-N176 VanDerWaalsContact O-N 3.08Å; P174-N176 VanDerWaalsContact C-N 3.31Å; N176-E205 PolarHBondContact ND2-OE2 3.31Å; N176-F207 HydrophobicContact CB-CE1 4.11Å; N176-F207 HydrophobicContact CB-CZ 3.92Å
177R93.1Very high93.6Very high154 Ų15444.8 Ų44.858%0.58123%0.23SC*.  trans-148.9154.3174.862.1-176.9-179.3-171.4-0.4108.6I151 F200I151-R177 WeakPolarHBondContact O-CA 3.3Å; R177-F200 HydrophobicContact CG-CD2 4Å; R177-F200 HydrophobicContact CG-CE2 3.84Å; R177-F200 HydrophobicContact CG-CZ 4.28Å; R177-F200 VanDerWaalsContact NE-CZ 3.34Å; R177-F200 WeakPolarHBondContact O-CB 3.31Å; R177-F200 WeakPolarHBondContact O-CG 3.43Å
178G93.6Very high93.7Very high8 Ų844.8 Ų44.88%0.08224%0.235CC..EExtended strand (participates in β ladder)trans169-171.9178.400000113.5I151 E199I151-G178 PolarHBondContact N-O 3.39Å; I151-G178 PolarHBondContact O-N 3.04Å; G178-E199 WeakPolarHBondContact CA-O 3.5Å
179T94.9Very high93.6Very high45 Ų4546.8 Ų46.828%0.27624%0.243SC..EExtended strand (participates in β ladder)trans-104.8133.3174.2-48.10000109.1G148 H150 T181 L198 E199G148-T179 WeakPolarHBondContact O-CG2 3.24Å; H150-T179 PolarHBondContact CE1-OG1 3.21Å; H150-T179 PolarHBondContact ND1-OG1 3.3Å; H150-T179 VanDerWaalsContact ND1-OG1 3.15Å; T179-T181 PolarHBondContact O-N 2.91Å; T179-L198 WeakPolarHBondContact O-CA 3.35Å; T179-E199 PolarHBondContact N-O 2.98Å; T179-E199 PolarHBondContact O-N 3.12Å
180V94.7Very high93.6Very high2 Ų246.3 Ų46.31%0.01224%0.243CC..EExtended strand (participates in β ladder)trans-69.4122.9-178.2177.80000110.2L145 G148 S149 I151 V183 L198L145-V180 HydrophobicContact CD1-CG2 4.08Å; L145-V180 HydrophobicContact CD2-CG2 4.46Å; L145-V180 HydrophobicContact CG-CG2 4.32Å; G148-V180 PolarHBondContact N-O 3.34Å; S149-V180 WeakPolarHBondContact O-CG2 3.4Å; S149-V180 PolarHBondContact O-N 2.9Å; I151-V180 HydrophobicContact CB-CG2 4.32Å; I151-V180 HydrophobicContact CG2-CG2 3.94Å; V180-V183 HydrophobicContact CG1-CG2 3.24Å; V180-L198 HydrophobicContact CB-CD2 4.19Å; V180-L198 HydrophobicContact CG2-CD2 3.64Å
181T94.4Very high93.3Very high36 Ų3646.4 Ų46.422%0.22124%0.243CC..EExtended strand (participates in β ladder)trans-103.5-33.2176.457.40000112.4V147 T179 E197 E199V147-T181 VanDerWaalsContact CG1-O 3.3Å; V147-T181 WeakPolarHBondContact CG1-O 3.46Å; T179-T181 PolarHBondContact O-N 2.91Å; T181-E197 PolarHBondContact N-O 3.4Å; T181-E197 WeakPolarHBondContact OG1-CB 3.42Å; T181-E197 PolarHBondContact OG1-O 3.14Å; T181-E199 HydrophobicContact CG2-CB 3.56Å
182Y94.1Very high93.1Very high96 Ų9648.8 Ų48.838%0.37626%0.261SS..EExtended strand (participates in β ladder)trans-145.7142.2177.7170.9-100.4000110.4A184 M196 E197Y182-A184 HydrophobicContact CE1-CB 4.38Å; Y182-M196 WeakPolarHBondContact O-CA 3.34Å; Y182-E197 HydrophobicContact CD1-CG 4.12Å; Y182-E197 PolarHBondContact N-O 3.45Å; Y182-E197 PolarHBondContact O-N 3.26Å
183V93.1Very high93.1Very high28 Ų2851.7 Ų51.717%0.1728%0.276CS..EExtended strand (participates in β ladder)trans-135.1131.6171.9-175.50000107.3P141 L145 V180P141-V183 HydrophobicContact CB-CG1 3.88Å; L145-V183 HydrophobicContact CD2-CG1 4.34Å; L145-V183 HydrophobicContact CD2-CG2 3.8Å; L145-V183 HydrophobicContact CG-CG2 4.42Å; V180-V183 HydrophobicContact CG1-CG2 3.24Å
184A93.1Very high93.1Very high1 Ų153 Ų531%0.00828%0.283CS..PPolyproline II helixtrans-65.4139.6176.400000111.4Y182 Y189 V195Y182-A184 HydrophobicContact CE1-CB 4.38Å; A184-Y189 HydrophobicContact CB-CE1 4.32Å; A184-Y189 HydrophobicContact CB-CE2 4.38Å; A184-V195 HydrophobicContact CB-CG1 4.26Å; A184-V195 PolarHBondContact N-O 3.02Å
185P93.3Very high93.2Very high71 Ų7151.9 Ų51.946%0.46128%0.276SS..PPolyproline II helixtrans-64.8165.1173.927.5-33.1000111.4G187 Y189P185-G187 PolarHBondContact O-N 3.09Å; P185-Y189 WeakPolarHBondContact CD-OH 3.28Å; P185-Y189 WeakPolarHBondContact CG-OH 3.29Å; P185-Y189 VanDerWaalsContact O-CE2 3.24Å; P185-Y189 WeakPolarHBondContact O-CE2 3.44Å; P185-Y189 PolarHBondContact O-OH 3.38Å; P185-Y189 VanDerWaalsContact O-OH 3.13Å
186P94.4Very high93.3Very high93 Ų9344.8 Ų44.860%0.60425%0.245SC*.SBendtrans-62133.6173.626.5-33.7000110.6F139F139-P186 VanDerWaalsContact O-CA 3.24Å; F139-P186 WeakPolarHBondContact O-CA 3.35Å
187G93.6Very high93.4Very high24 Ų2446 Ų4625%0.24725%0.25CS..EExtended strand (participates in β ladder)trans174.2-178.8-174.700000113.5F139 P185 Y189F139-G187 PolarHBondContact N-O 2.84Å; F139-G187 PolarHBondContact O-N 2.71Å; F139-G187 VanDerWaalsContact O-N 3.14Å; P185-G187 PolarHBondContact O-N 3.09Å; G187-Y189 WeakPolarHBondContact O-CD2 3.49Å
188N95Very high93.5Very high110 Ų11038.9 Ų38.959%0.58822%0.224SC*.EExtended strand (participates in β ladder)trans-93.2114.8177-68.9-49.3000109.9K136 W137K136-N188 HydrophobicContact CB-CB 4.36Å; W137-N188 WeakPolarHBondContact O-CA 3.46Å
189Y94.1Very high93.5Very high43 Ų4342 Ų4217%0.16924%0.236CC..EExtended strand (participates in β ladder)trans-125.2151.8-178.7-64.3-85000110.1K136 W137 F139 A184 P185 G187 D193 M209K136-Y189 CarbonylContact C-O 3.56Å; K136-Y189 WeakPolarHBondContact CA-O 3.41Å; W137-Y189 PolarHBondContact N-O 2.7Å; W137-Y189 PolarHBondContact O-N 3.3Å; F139-Y189 HydrophobicContact CB-CD2 3.82Å; F139-Y189 HydrophobicContact CB-CE2 4.4Å; A184-Y189 HydrophobicContact CB-CE1 4.32Å; A184-Y189 HydrophobicContact CB-CE2 4.38Å; P185-Y189 WeakPolarHBondContact CD-OH 3.28Å; P185-Y189 WeakPolarHBondContact CG-OH 3.29Å; P185-Y189 VanDerWaalsContact O-CE2 3.24Å; P185-Y189 WeakPolarHBondContact O-CE2 3.44Å; P185-Y189 PolarHBondContact O-OH 3.38Å; P185-Y189 VanDerWaalsContact O-OH 3.13Å; G187-Y189 WeakPolarHBondContact O-CD2 3.49Å; Y189-D193 WeakPolarHBondContact CA-OD2 3.39Å; Y189-D193 HydrophobicContact CD1-CB 4.01Å; Y189-M209 HydrophobicContact CD2-CE 4.43Å; Y189-M209 HydrophobicContact CG-CE 4.32Å
190D93.1Very high93.4Very high37 Ų3743.4 Ų43.420%0.19824%0.239CC..  trans-81.3176.9166.672.138.7000111.2R133 S192 D193R133-D190 WeakPolarHBondContact O-CB 3.48Å; D190-S192 VanDerWaalsContact C-N 3.27Å; D190-S192 PolarHBondContact O-N 2.9Å; D190-S192 VanDerWaalsContact OD1-CA 3.23Å; D190-S192 WeakPolarHBondContact OD1-CA 3.26Å; D190-S192 VanDerWaalsContact OD1-CB 3.29Å; D190-S192 WeakPolarHBondContact OD1-CB 2.94Å; D190-S192 PolarHBondContact OD1-N 3.45Å; D190-D193 PolarHBondContact N-OD2 3.05Å; D190-D193 VanDerWaalsContact OD1-CG 3.23Å; D190-D193 PolarHBondContact OD1-N 3.18Å
191I90.4Very high93.3Very high4 Ų451.1 Ų51.12%0.02128%0.275CS..SBendtrans-73.2-21.3-179.2-65.2-178.2000112.6P96 L131 N132 T208 V210P96-I191 HydrophobicContact CG-CD1 4.43Å; P96-I191 HydrophobicContact CG-CG1 4.27Å; P96-I191 VanDerWaalsContact O-CD1 3.26Å; P96-I191 WeakPolarHBondContact O-CD1 3.45Å; L131-I191 HydrophobicContact CB-CD1 3.82Å; L131-I191 HydrophobicContact CD1-CD1 4.44Å; N132-I191 VanDerWaalsContact O-CD1 3.31Å; N132-I191 WeakPolarHBondContact O-CD1 3.42Å; I191-T208 WeakPolarHBondContact O-CB 3.22Å; I191-V210 HydrophobicContact CG2-CB 3.87Å; I191-V210 HydrophobicContact CG2-CG1 3.13Å; I191-V210 HydrophobicContact CG2-CG2 3.56Å
192S89.6Confident92.9Very high55 Ų5552.3 Ų52.339%0.38529%0.294SS..SBendtrans-89.2-20.3-177.5-49.20000112.9D190 T208D190-S192 VanDerWaalsContact C-N 3.27Å; D190-S192 PolarHBondContact O-N 2.9Å; D190-S192 VanDerWaalsContact OD1-CA 3.23Å; D190-S192 WeakPolarHBondContact OD1-CA 3.26Å; D190-S192 VanDerWaalsContact OD1-CB 3.29Å; D190-S192 WeakPolarHBondContact OD1-CB 2.94Å; D190-S192 PolarHBondContact OD1-N 3.45Å; S192-T208 WeakPolarHBondContact O-CG2 3.28Å
193D93.3Very high92.9Very high61 Ų6152.8 Ų52.833%0.32631%0.307SS..SBendtrans-62.1140.9179.5-75.9-33.7000111Y189 D190 V195 T208Y189-D193 WeakPolarHBondContact CA-OD2 3.39Å; Y189-D193 HydrophobicContact CD1-CB 4.01Å; D190-D193 PolarHBondContact N-OD2 3.05Å; D190-D193 VanDerWaalsContact OD1-CG 3.23Å; D190-D193 PolarHBondContact OD1-N 3.18Å; D193-V195 PolarHBondContact O-N 3.36Å; D193-T208 WeakPolarHBondContact O-CA 3.42Å; D193-T208 WeakPolarHBondContact O-CB 3.12Å; D193-T208 WeakPolarHBondContact O-CG2 3.28Å
194V94.3Very high92.9Very high52 Ų5257.7 Ų57.732%0.31533%0.326SS..  trans-79.3113.9179-179.80000109E197 K206V194-E197 HydrophobicContact CG1-CG 4.11Å; V194-K206 HydrophobicContact CG1-CB 3.96Å; V194-K206 HydrophobicContact CG1-CD 4.36Å; V194-K206 HydrophobicContact CG1-CG 4.4Å; V194-K206 HydrophobicContact CG2-CB 4.39Å; V194-K206 HydrophobicContact CG2-CD 4.23Å
195V93.3Very high92.9Very high0 Ų060.2 Ų60.20%034%0.337CS..  trans-96.3-27-176.6-1780000111.7F139 Y157 A184 D193 F207 M209F139-V195 HydrophobicContact CD1-CG1 3.89Å; F139-V195 HydrophobicContact CD2-CG1 4.09Å; F139-V195 HydrophobicContact CE1-CG1 3.33Å; F139-V195 HydrophobicContact CE2-CG1 3.55Å; F139-V195 HydrophobicContact CG-CG1 4.25Å; F139-V195 HydrophobicContact CZ-CG1 3.16Å; Y157-V195 HydrophobicContact CE2-CB 4.46Å; Y157-V195 HydrophobicContact CE2-CG1 3.88Å; A184-V195 HydrophobicContact CB-CG1 4.26Å; A184-V195 PolarHBondContact N-O 3.02Å; D193-V195 PolarHBondContact O-N 3.36Å; V195-F207 PolarHBondContact N-O 3.49Å; V195-M209 HydrophobicContact CG2-CE 3.77Å; V195-M209 HydrophobicContact CG2-CG 3.65Å
196M92.3Very high93Very high0 Ų063.5 Ų63.50%034%0.344CS..EExtended strand (participates in β ladder)trans-148.6145.3-177.1172.2179.7-6900112.3L145 I151 Y157 L172 Y182 L198 F207L145-M196 HydrophobicContact CD2-CE 3.44Å; L145-M196 VanDerWaalsContact CD2-CE 3.44Å; I151-M196 HydrophobicContact CD1-CE 4.23Å; I151-M196 HydrophobicContact CD1-SD 4.35Å; Y157-M196 HydrophobicContact CD1-CE 4.02Å; Y157-M196 HydrophobicContact CD1-SD 4.34Å; Y157-M196 HydrophobicContact CD2-CE 3.48Å; Y157-M196 VanDerWaalsContact CD2-CE 3.48Å; Y157-M196 HydrophobicContact CD2-SD 4.48Å; Y157-M196 HydrophobicContact CE2-CB 4.43Å; Y157-M196 HydrophobicContact CE2-CE 4.2Å; Y157-M196 HydrophobicContact CG-CE 3.34Å; Y157-M196 HydrophobicContact CG-SD 4.23Å; L172-M196 HydrophobicContact CD1-SD 4.3Å; Y182-M196 WeakPolarHBondContact O-CA 3.34Å; M196-L198 HydrophobicContact CG-CD2 3.88Å; M196-L198 HydrophobicContact CG-CG 4.15Å; M196-L198 HydrophobicContact SD-CD1 4.29Å; M196-L198 HydrophobicContact SD-CD2 3.6Å; M196-L198 HydrophobicContact SD-CG 3.96Å; M196-F207 HydrophobicContact CB-CB 4.24Å; M196-F207 PolarHBondContact N-O 3.15Å; M196-F207 VanDerWaalsContact N-O 3.15Å; M196-F207 PolarHBondContact O-N 3.29Å
197E94.8Very high92.9Very high45 Ų4559.7 Ų59.721%0.2132%0.318CS..EExtended strand (participates in β ladder)trans-123.6128.8167.2-56-170.9156.600110.7T181 Y182 V194 E205 K206T181-E197 PolarHBondContact N-O 3.4Å; T181-E197 WeakPolarHBondContact OG1-CB 3.42Å; T181-E197 PolarHBondContact OG1-O 3.14Å; Y182-E197 HydrophobicContact CD1-CG 4.12Å; Y182-E197 PolarHBondContact N-O 3.45Å; Y182-E197 PolarHBondContact O-N 3.26Å; V194-E197 HydrophobicContact CG1-CG 4.11Å; E197-E205 WeakPolarHBondContact CA-O 3.4Å; E197-K206 HydrophobicContact CG-CG 4.14Å; E197-K206 WeakPolarHBondContact OE1-CE 3.34Å; E197-K206 IonicContact OE1-NZ 3.2Å; E197-K206 PolarHBondContact OE1-NZ 3Å
198L93.9Very high92.9Very high5 Ų560.4 Ų60.43%0.02632%0.318CS..EExtended strand (participates in β ladder)trans-112.9144.8176.7-58.4-175.1000110.9I151 L172 T179 V180 M196 K204 E205 F207I151-L198 HydrophobicContact CG2-CD1 3.65Å; I151-L198 HydrophobicContact CG2-CD2 3.5Å; I151-L198 HydrophobicContact CG2-CG 4.24Å; L172-L198 HydrophobicContact CD1-CD1 3.59Å; L172-L198 HydrophobicContact CD2-CD1 3.56Å; L172-L198 HydrophobicContact CG-CD1 4.24Å; T179-L198 WeakPolarHBondContact O-CA 3.35Å; V180-L198 HydrophobicContact CB-CD2 4.19Å; V180-L198 HydrophobicContact CG2-CD2 3.64Å; M196-L198 HydrophobicContact CG-CD2 3.88Å; M196-L198 HydrophobicContact CG-CG 4.15Å; M196-L198 HydrophobicContact SD-CD1 4.29Å; M196-L198 HydrophobicContact SD-CD2 3.6Å; M196-L198 HydrophobicContact SD-CG 3.96Å; L198-K204 CarbonylContact O-C 3.55Å; L198-K204 WeakPolarHBondContact O-CA 3.4Å; L198-E205 PolarHBondContact N-O 2.89Å; L198-E205 PolarHBondContact O-N 3.18Å; L198-F207 HydrophobicContact CB-CD2 4.5Å; L198-F207 HydrophobicContact CB-CE2 3.9Å; L198-F207 HydrophobicContact CD1-CD2 4.19Å; L198-F207 HydrophobicContact CD1-CE2 3.63Å; L198-F207 HydrophobicContact CD1-CZ 4.15Å; L198-F207 HydrophobicContact CG-CD2 3.98Å; L198-F207 HydrophobicContact CG-CE2 3.68Å
199E94.9Very high92.8Very high73 Ų7355.3 Ų55.334%0.34129%0.291SS..EExtended strand (participates in β ladder)trans-113.6126.9171-173.2171.7166.800110.3G178 T179 T181 V203 K204G178-E199 WeakPolarHBondContact CA-O 3.5Å; T179-E199 PolarHBondContact N-O 2.98Å; T179-E199 PolarHBondContact O-N 3.12Å; T181-E199 HydrophobicContact CG2-CB 3.56Å; E199-V203 WeakPolarHBondContact CA-O 3.41Å; E199-K204 HydrophobicContact CB-CG 4.25Å; E199-K204 HydrophobicContact CG-CG 4.18Å; E199-K204 VanDerWaalsContact OE2-CE 3.23Å; E199-K204 WeakPolarHBondContact OE2-CE 3.39Å
200F92.3Very high92.8Very high76 Ų7655 Ų5533%0.33329%0.293SS..EExtended strand (participates in β ladder)trans-137.9123.8174.7-174.4-102.2000108.9R177 G202 V203R177-F200 HydrophobicContact CG-CD2 4Å; R177-F200 HydrophobicContact CG-CE2 3.84Å; R177-F200 HydrophobicContact CG-CZ 4.28Å; R177-F200 VanDerWaalsContact NE-CZ 3.34Å; R177-F200 WeakPolarHBondContact O-CB 3.31Å; R177-F200 WeakPolarHBondContact O-CG 3.43Å; F200-G202 PolarHBondContact O-N 3.32Å; F200-G202 VanDerWaalsContact O-N 3.13Å; F200-V203 PolarHBondContact N-O 3.11Å; F200-V203 PolarHBondContact O-N 3.14Å
201E91.2Very high92.8Very high164 Ų16453.9 Ų53.977%0.76629%0.286SS*.THydrogen-bonded Turntrans51.436.5179.7-63.8177.5-179.300114V203E201-V203 VanDerWaalsContact C-N 3.27Å; E201-V203 PolarHBondContact O-N 3.23Å
202G87.8Confident92.9Very high61 Ų6156.3 Ų56.363%0.62930%0.301SS*.THydrogen-bonded Turntrans79.6-0.3-179.700000115.1F200F200-G202 PolarHBondContact O-N 3.32Å; F200-G202 VanDerWaalsContact O-N 3.13Å
203V93Very high93.2Very high106 Ų10654.1 Ų54.164%0.64229%0.285SS*.EExtended strand (participates in β ladder)trans-96.6122.6173.5-176.80000109.3E199 F200 E201E199-V203 WeakPolarHBondContact CA-O 3.41Å; F200-V203 PolarHBondContact N-O 3.11Å; F200-V203 PolarHBondContact O-N 3.14Å; E201-V203 VanDerWaalsContact C-N 3.27Å; E201-V203 PolarHBondContact O-N 3.23Å
204K93.4Very high93.3Very high131 Ų13152.4 Ų52.457%0.5728%0.277SS*.EExtended strand (participates in β ladder)trans-91.8124.7173.7-67.3-171.5178.1-172.10110.8L198 E199L198-K204 CarbonylContact O-C 3.55Å; L198-K204 WeakPolarHBondContact O-CA 3.4Å; E199-K204 HydrophobicContact CB-CG 4.25Å; E199-K204 HydrophobicContact CG-CG 4.18Å; E199-K204 VanDerWaalsContact OE2-CE 3.23Å; E199-K204 WeakPolarHBondContact OE2-CE 3.39Å
205E93.1Very high93.3Very high54 Ų5449.9 Ų49.925%0.25226%0.262SS..EExtended strand (participates in β ladder)trans-118.4135.3177.9-168.7169.5-16300111.4K1 N176 E197 L198 F207K1-E205 WeakPolarHBondContact CD-OE1 3.45Å; K1-E205 WeakPolarHBondContact CE-OE1 3.42Å; K1-E205 IonicContact NZ-OE1 3.69Å; K1-E205 PolarHBondContact NZ-OE1 3.32Å; K1-E205 IonicContact NZ-OE2 2.73Å; K1-E205 PolarHBondContact NZ-OE2 2.6Å; N176-E205 PolarHBondContact ND2-OE2 3.31Å; E197-E205 WeakPolarHBondContact CA-O 3.4Å; L198-E205 PolarHBondContact N-O 2.89Å; L198-E205 PolarHBondContact O-N 3.18Å; E205-F207 HydrophobicContact CB-CE2 3.92Å; E205-F207 HydrophobicContact CB-CZ 4.25Å; E205-F207 HydrophobicContact CG-CE2 3.89Å; E205-F207 HydrophobicContact CG-CZ 3.88Å
206K94.4Very high93.2Very high139 Ų13952.8 Ų52.860%0.60427%0.273SS*.EExtended strand (participates in β ladder)trans-97.5136.3-179.9-56.1-169.1178.4-163.10110.5V194 E197V194-K206 HydrophobicContact CG1-CB 3.96Å; V194-K206 HydrophobicContact CG1-CD 4.36Å; V194-K206 HydrophobicContact CG1-CG 4.4Å; V194-K206 HydrophobicContact CG2-CB 4.39Å; V194-K206 HydrophobicContact CG2-CD 4.23Å; E197-K206 HydrophobicContact CG-CG 4.14Å; E197-K206 WeakPolarHBondContact OE1-CE 3.34Å; E197-K206 IonicContact OE1-NZ 3.2Å; E197-K206 PolarHBondContact OE1-NZ 3Å
207F93.5Very high93.3Very high14 Ų1456.7 Ų56.76%0.06129%0.291CS..EExtended strand (participates in β ladder)trans-122135.8179.1-64.4-89.2000110.4L172 P173 N176 V195 M196 L198 E205L172-F207 HydrophobicContact CD1-CD1 3.75Å; L172-F207 HydrophobicContact CD1-CD2 4.16Å; L172-F207 HydrophobicContact CD1-CE1 3.69Å; L172-F207 HydrophobicContact CD1-CE2 4.13Å; L172-F207 HydrophobicContact CD1-CG 3.99Å; L172-F207 HydrophobicContact CD1-CZ 3.9Å; P173-F207 HydrophobicContact CG-CD1 4.19Å; P173-F207 HydrophobicContact CG-CE1 4.06Å; N176-F207 HydrophobicContact CB-CE1 4.11Å; N176-F207 HydrophobicContact CB-CZ 3.92Å; V195-F207 PolarHBondContact N-O 3.49Å; M196-F207 HydrophobicContact CB-CB 4.24Å; M196-F207 PolarHBondContact N-O 3.15Å; M196-F207 VanDerWaalsContact N-O 3.15Å; M196-F207 PolarHBondContact O-N 3.29Å; L198-F207 HydrophobicContact CB-CD2 4.5Å; L198-F207 HydrophobicContact CB-CE2 3.9Å; L198-F207 HydrophobicContact CD1-CD2 4.19Å; L198-F207 HydrophobicContact CD1-CE2 3.63Å; L198-F207 HydrophobicContact CD1-CZ 4.15Å; L198-F207 HydrophobicContact CG-CD2 3.98Å; L198-F207 HydrophobicContact CG-CE2 3.68Å; E205-F207 HydrophobicContact CB-CE2 3.92Å; E205-F207 HydrophobicContact CB-CZ 4.25Å; E205-F207 HydrophobicContact CG-CE2 3.89Å; E205-F207 HydrophobicContact CG-CZ 3.88Å
208T94.2Very high93.3Very high39 Ų3958.5 Ų58.524%0.23931%0.305CS..  trans-106.1-177.7172.167.90000109.4Y157 I191 S192 D193 V210Y157-T208 PolarHBondContact OH-O 3.08Å; I191-T208 WeakPolarHBondContact O-CB 3.22Å; S192-T208 WeakPolarHBondContact O-CG2 3.28Å; D193-T208 WeakPolarHBondContact O-CA 3.42Å; D193-T208 WeakPolarHBondContact O-CB 3.12Å; D193-T208 WeakPolarHBondContact O-CG2 3.28Å; T208-V210 PolarHBondContact O-N 3.35Å; T208-V210 VanDerWaalsContact OG1-CG2 3.3Å; T208-V210 WeakPolarHBondContact OG1-CG2 3.2Å; T208-V210 PolarHBondContact OG1-N 3.5Å; T208-V210 PolarHBondContact OG1-O 3.07Å
209M92.6Very high93.4Very high3 Ų358.5 Ų58.52%0.01530%0.304CS..SBendtrans-69.8-19.5176.7-62.1-167.4-166.200113.7P96 F139 V160 I170 Y189 V195P96-M209 HydrophobicContact CG-CB 4.29Å; P96-M209 HydrophobicContact CG-SD 4.21Å; F139-M209 HydrophobicContact CB-CE 3.6Å; F139-M209 HydrophobicContact CD2-CE 3.89Å; F139-M209 HydrophobicContact CG-CE 3.9Å; V160-M209 HydrophobicContact CG2-CE 4.47Å; V160-M209 HydrophobicContact CG2-SD 3.84Å; I170-M209 HydrophobicContact CD1-CB 4.36Å; Y189-M209 HydrophobicContact CD2-CE 4.43Å; Y189-M209 HydrophobicContact CG-CE 4.32Å; V195-M209 HydrophobicContact CG2-CE 3.77Å; V195-M209 HydrophobicContact CG2-CG 3.65Å
210V93.8Very high93.4Very high35 Ų3557.4 Ų57.421%0.21230%0.303CS..  trans-96.8142.3177.3-83.20000112.6L94 L131 I191 T208L94-V210 WeakPolarHBondContact O-CA 3.29Å; L131-V210 HydrophobicContact CD1-CG1 3.52Å; I191-V210 HydrophobicContact CG2-CB 3.87Å; I191-V210 HydrophobicContact CG2-CG1 3.13Å; I191-V210 HydrophobicContact CG2-CG2 3.56Å; T208-V210 PolarHBondContact O-N 3.35Å; T208-V210 VanDerWaalsContact OG1-CG2 3.3Å; T208-V210 WeakPolarHBondContact OG1-CG2 3.2Å; T208-V210 PolarHBondContact OG1-N 3.5Å; T208-V210 PolarHBondContact OG1-O 3.07Å
211Q93.3Very high93.6Very high14 Ų1455.8 Ų55.87%0.06530%0.3CS..EExtended strand (participates in β ladder)trans-122.7147.2166.866-172.8-64.800110.1L94 P173 Y340L94-Q211 HydrophobicContact CB-CG 3.76Å; L94-Q211 HydrophobicContact CD1-CG 4.28Å; L94-Q211 PolarHBondContact N-O 2.81Å; L94-Q211 PolarHBondContact O-N 2.9Å; P173-Q211 HydrophobicContact CG-CB 3.97Å; Q211-Y340 VanDerWaalsContact NE2-CE2 3.35Å
212V92.7Very high93.8Very high55 Ų5551.6 Ų51.633%0.33329%0.285SS..EExtended strand (participates in β ladder)trans-103.8127177-179.70000108.4M4 V92 E93M4-V212 HydrophobicContact CE-CG1 4.31Å; V92-V212 WeakPolarHBondContact O-CA 3.44Å; E93-V212 HydrophobicContact CG-CG2 4.48Å
213W94.6Very high94.1Very high10 Ų1053.1 Ų53.14%0.03828%0.276CS..EExtended strand (participates in β ladder)trans-129.4132.6-178.8-169.5-94.3000112.6S91 V92 L94 P174 V215 Q217 R219 P220 T336S91-W213 CarbonylContact C-O 2.99Å; S91-W213 WeakPolarHBondContact CA-O 3.31Å; S91-W213 WeakPolarHBondContact CB-O 3.49Å; V92-W213 PolarHBondContact N-O 2.94Å; V92-W213 PolarHBondContact O-N 3.49Å; L94-W213 HydrophobicContact CD1-CB 3.64Å; L94-W213 HydrophobicContact CD1-CG 4.43Å; P174-W213 HydrophobicContact CB-CH2 4.47Å; P174-W213 HydrophobicContact CB-CZ3 4.38Å; P174-W213 HydrophobicContact CG-CH2 4.17Å; P174-W213 HydrophobicContact CG-CZ3 3.89Å; W213-V215 PolarHBondContact O-N 3.2Å; W213-Q217 HydrophobicContact CZ2-CG 4.04Å; W213-Q217 PolarHBondContact NE1-O 2.86Å; W213-R219 HydrophobicContact CD2-CG 4.23Å; W213-R219 HydrophobicContact CG-CG 4.33Å; W213-R219 HydrophobicContact CZ2-CG 4.1Å; W213-P220 HydrophobicContact CH2-CG 4.35Å; W213-T336 HydrophobicContact CG-CG2 4.42Å
214P95.1Very high94.2Very high24 Ų2454.2 Ų54.216%0.15627%0.272CS..EExtended strand (participates in β ladder)trans-65.4129.9176.7-21.333.4000112.8P89 L90 S91 R216 Q217P89-P214 HydrophobicContact CG-CB 3.91Å; P89-P214 HydrophobicContact CG-CG 4.01Å; L90-P214 WeakPolarHBondContact O-CA 3.34Å; S91-P214 WeakPolarHBondContact OG-CA 3.48Å; P214-R216 VanDerWaalsContact C-N 3.32Å; P214-R216 PolarHBondContact O-N 3.48Å; P214-Q217 HydrophobicContact CB-CB 4.07Å; P214-Q217 PolarHBondContact O-N 2.96Å
215V94.8Very high94.3Very high0 Ų050 Ų500%026%0.256CS..THydrogen-bonded Turntrans-71-27.2-172.8-59.90000114L90 V92 W213 Q217 T336 R392L90-V215 HydrophobicContact CB-CG2 4.2Å; L90-V215 HydrophobicContact CD2-CG2 3.75Å; L90-V215 HydrophobicContact CG-CG2 3.85Å; L90-V215 PolarHBondContact O-N 2.9Å; V92-V215 HydrophobicContact CB-CG1 4.15Å; V92-V215 HydrophobicContact CG1-CG1 3.33Å; V92-V215 HydrophobicContact CG2-CG1 3.88Å; W213-V215 PolarHBondContact O-N 3.2Å; V215-Q217 VanDerWaalsContact C-N 3.34Å; V215-T336 WeakPolarHBondContact CA-OG1 3.34Å; V215-T336 PolarHBondContact O-OG1 3.07Å; V215-R392 PolarHBondContact O-NH1 2.9Å
216R92.1Very high94.4Very high61 Ų6152.7 Ų52.723%0.2328%0.278CS..THydrogen-bonded Turntrans-83.6-9.5178.3-60.6-175.1-178-86.29.9112.8E54 P214 E328E54-R216 IonicContact OE1-CZ 3.76Å; E54-R216 IonicContact OE1-NE 3.88Å; E54-R216 PolarHBondContact OE1-NE 3.09Å; E54-R216 IonicContact OE1-NH2 2.73Å; E54-R216 PolarHBondContact OE1-NH2 3.46Å; E54-R216 IonicContact OE2-CZ 2.68Å; E54-R216 IonicContact OE2-NE 2.62Å; E54-R216 IonicContact OE2-NH2 3.55Å; E54-R216 PolarHBondContact OE2-NH2 2.85Å; P214-R216 VanDerWaalsContact C-N 3.32Å; P214-R216 PolarHBondContact O-N 3.48Å; R216-E328 IonicContact CZ-OE1 3.62Å; R216-E328 IonicContact NH1-OE1 2.7Å; R216-E328 PolarHBondContact NH1-OE1 3.37Å; R216-E328 IonicContact NH2-OE1 3.83Å; R216-E328 PolarHBondContact NH2-OE1 3.1Å
217Q93.5Very high94.3Very high81 Ų8146.9 Ų46.938%0.37926%0.256SS..SBendtrans-97.3123.7178.5-173.6166.719.400110.4W213 P214 V215 R219W213-Q217 HydrophobicContact CZ2-CG 4.04Å; W213-Q217 PolarHBondContact NE1-O 2.86Å; P214-Q217 HydrophobicContact CB-CB 4.07Å; P214-Q217 PolarHBondContact O-N 2.96Å; V215-Q217 VanDerWaalsContact C-N 3.34Å; Q217-R219 PolarHBondContact O-N 3.4Å
218V95.7Very high94.3Very high83 Ų8349.8 Ų49.850%0.50327%0.272SS..PPolyproline II helixtrans-61.6132.3174.7-177.20000109.8R392V218-R392 HydrophobicContact CG1-CG 4.45Å; V218-R392 HydrophobicContact CG2-CG 4.03Å
219R94.9Very high94.3Very high5 Ų550.7 Ų50.72%0.01927%0.273CS..PPolyproline II helixtrans-68.7128.5174.7-71-173.661.888.34.7110.5W213 Q217 E339 D343W213-R219 HydrophobicContact CD2-CG 4.23Å; W213-R219 HydrophobicContact CG-CG 4.33Å; W213-R219 HydrophobicContact CZ2-CG 4.1Å; Q217-R219 PolarHBondContact O-N 3.4Å; R219-E339 HydrophobicContact CB-CB 4.13Å; R219-E339 WeakPolarHBondContact CB-OE2 3.46Å; R219-E339 HydrophobicContact CG-CB 4.12Å; R219-E339 WeakPolarHBondContact CG-OE2 3.4Å; R219-E339 PolarHBondContact N-OE2 3Å; R219-E339 VanDerWaalsContact N-OE2 3.1Å; R219-D343 IonicContact CZ-OD2 2.64Å; R219-D343 IonicContact NE-OD2 2.9Å; R219-D343 PolarHBondContact NE-OD2 3.18Å; R219-D343 IonicContact NH2-OD2 3.14Å; R219-D343 PolarHBondContact NH2-OD2 3.14Å
220P95.6Very high94.5Very high50 Ų5050.7 Ų50.733%0.32527%0.274SS..PPolyproline II helixtrans-69.1148.4-17631.8-37.1000110.8P174 W213 L399P174-P220 HydrophobicContact CB-CG 3.4Å; P174-P220 HydrophobicContact CG-CG 3.86Å; W213-P220 HydrophobicContact CH2-CG 4.35Å; P220-L399 VanDerWaalsContact C-CD1 3.48Å; P220-L399 HydrophobicContact CB-CD1 3.69Å; P220-L399 HydrophobicContact CG-CD1 3.71Å; P220-L399 VanDerWaalsContact O-CD1 3.28Å; P220-L399 WeakPolarHBondContact O-CD1 3.33Å
221V95.6Very high94.6Very high42 Ų4249 Ų4926%0.25526%0.264SS..  trans-135.7162.8-179.1-63.10000109.2V396V221-V396 HydrophobicContact CB-CB 4.2Å; V221-V396 HydrophobicContact CB-CG2 4.32Å; V221-V396 HydrophobicContact CG1-CB 4.15Å; V221-V396 HydrophobicContact CG1-CG1 4.36Å; V221-V396 HydrophobicContact CG1-CG2 3.82Å; V221-V396 HydrophobicContact CG2-CB 4.4Å; V221-V396 HydrophobicContact CG2-CG1 4.31Å
222T95.3Very high94.6Very high76 Ų7650.3 Ų50.347%0.46627%0.271SS..SBendtrans-73.2-54.9180-55.60000110.6K397 C398 L399T222-K397 WeakPolarHBondContact CB-O 3.25Å; T222-K397 PolarHBondContact N-O 2.9Å; T222-C398 PolarHBondContact OG1-O 2.89Å; T222-L399 WeakPolarHBondContact OG1-CA 3.36Å
223E95.3Very high94.5Very high94 Ų9447.8 Ų47.844%0.43926%0.255SS..EExtended strand (participates in β ladder)trans-154.3151.1179.555.9-179.5-179.400110.5L225 V396 K397E223-L225 HydrophobicContact CG-CD2 4.22Å; E223-V396 WeakPolarHBondContact O-CA 3.27Å; E223-K397 HydrophobicContact CG-CB 3.59Å; E223-K397 HydrophobicContact CG-CD 4.22Å; E223-K397 HydrophobicContact CG-CG 4.5Å; E223-K397 PolarHBondContact O-N 2.79Å; E223-K397 VanDerWaalsContact OE1-CD 3.3Å; E223-K397 WeakPolarHBondContact OE1-CD 3.13Å
224K94.7Very high94.2Very high128 Ų12847.3 Ų47.356%0.55725%0.253SS*.EExtended strand (participates in β ladder)trans-87.4130.5170.8-72.4-163.9170.6-166.60109E391 V396K224-E391 PolarHBondContact NZ-O 3.35Å; K224-E391 IonicContact NZ-OE2 3.82Å; K224-V396 HydrophobicContact CG-CG1 4.16Å
225L95.5Very high94.1Very high44 Ų4446.5 Ų46.523%0.2325%0.248CC..EExtended strand (participates in β ladder)trans-106.3149.5179.9-62.6176.2000110.3E223 R395 K397 E405E223-L225 HydrophobicContact CG-CD2 4.22Å; L225-R395 HydrophobicContact CB-CG 4.22Å; L225-R395 PolarHBondContact N-O 3.1Å; L225-R395 VanDerWaalsContact O-O 3.13Å; L225-K397 HydrophobicContact CD1-CB 4.31Å; L225-E405 HydrophobicContact CD1-CG 4.11Å
226P94.6Very high94.1Very high109 Ų10946.5 Ų46.571%0.70825%0.248SC*.  trans-65.3138.817028.4-33.4000110.4N228P226-N228 PolarHBondContact O-N 3.3Å
227A93.2Very high94.3Very high17 Ų1743.7 Ų43.714%0.1424%0.237CC..  trans-82.8115177.200000110.3V245 Q246A227-V245 HydrophobicContact CB-CB 3.96Å; A227-V245 HydrophobicContact CB-CG2 3.52Å; A227-Q246 WeakPolarHBondContact CB-O 3.43Å
228N93.6Very high94.3Very high75 Ų7539.9 Ų39.940%0.40122%0.219SC..  trans-117.50.1-177.765.75.8000114.1P226 R395P226-N228 PolarHBondContact O-N 3.3Å; N228-R395 PolarHBondContact OD1-NH1 3.39Å
229H94.3Very high94.3Very high58 Ų5836.1 Ų36.127%0.26920%0.197SC..SBendtrans-110.8130.4179-164.474.8000110.4V245 Q246 N272 Y468H229-V245 CarbonylContact O-C 2.9Å; H229-V245 WeakPolarHBondContact O-CA 3.49Å; H229-Q246 VanDerWaalsContact CD2-CD 3.5Å; H229-Q246 PolarHBondContact CD2-OE1 3.4Å; H229-Q246 PolarHBondContact O-N 2.97Å; H229-N272 PolarHBondContact NE2-ND2 3.46Å; H229-Y468 AromaticContact CE1-CE2 3.73Å; H229-Y468 AromaticContact ND1-CE2 3.49Å; H229-Y468 WeakPolarHBondContact ND1-CE2 3.37Å
230P96Very high94.3Very high3 Ų335.9 Ų35.92%0.01920%0.196CC..EExtended strand (participates in β ladder)trans-71.2143.8-179.828.4-33.4000111.9L232 C244 N272 L465 Y468P230-L232 PolarHBondContact O-N 2.92Å; P230-C244 WeakPolarHBondContact CA-O 3.35Å; P230-N272 PolarHBondContact O-ND2 3.11Å; P230-L465 HydrophobicContact CB-CD1 4.35Å; P230-L465 HydrophobicContact CB-CD2 3.94Å; P230-L465 HydrophobicContact CG-CD2 4.32Å; P230-Y468 HydrophobicContact CG-CD1 3.8Å; P230-Y468 HydrophobicContact CG-CE1 3.44Å; P230-Y468 VanDerWaalsContact CG-CE1 3.44Å; P230-Y468 HydrophobicContact CG-CE2 4.47Å; P230-Y468 HydrophobicContact CG-CG 4.45Å
231L95.6Very high94.2Very high1 Ų133.6 Ų33.61%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-87103.7166.6179.770.7000107.3T233 C244 Q246 L267 S273L231-T233 PolarHBondContact O-N 2.93Å; L231-C244 HydrophobicContact CB-CB 4.37Å; L231-C244 PolarHBondContact N-O 3.28Å; L231-Q246 HydrophobicContact CB-CG 4.28Å; L231-Q246 HydrophobicContact CD1-CG 4.23Å; L231-L267 HydrophobicContact CD2-CD1 4.22Å; L231-L267 HydrophobicContact CG-CD1 4.43Å; L231-S273 WeakPolarHBondContact CD1-OG 3.29Å
232L94.4Very high94.2Very high40 Ų4031.7 Ų31.721%0.20917%0.169CC..  trans-76119.4178.9-63.3177.2000108.7P230 S271 N272 F538P230-L232 PolarHBondContact O-N 2.92Å; L232-S271 VanDerWaalsContact O-CA 3.28Å; L232-S271 WeakPolarHBondContact O-CA 2.96Å; L232-N272 PolarHBondContact N-OD1 2.94Å; L232-N272 VanDerWaalsContact N-OD1 3.11Å; L232-F538 HydrophobicContact CD2-CB 4.36Å; L232-F538 HydrophobicContact CD2-CD2 4.05Å; L232-F538 HydrophobicContact CD2-CG 4.43Å
233T90.5Very high94.2Very high2 Ų228.2 Ų28.21%0.01215%0.148CC..  trans-90.9-20.9-179.769.30000112.1L231 Q235 L238 D239 L267 W437L231-T233 PolarHBondContact O-N 2.93Å; T233-Q235 VanDerWaalsContact C-N 3.26Å; T233-Q235 PolarHBondContact OG1-N 3.42Å; T233-L238 HydrophobicContact CG2-CB 4.27Å; T233-L238 HydrophobicContact CG2-CD1 4.44Å; T233-L238 WeakPolarHBondContact OG1-CB 3.19Å; T233-D239 VanDerWaalsContact CB-OD1 3.31Å; T233-D239 WeakPolarHBondContact CB-OD1 3.49Å; T233-D239 WeakPolarHBondContact CG2-OD1 3.33Å; T233-D239 PolarHBondContact N-OD1 3.13Å; T233-D239 PolarHBondContact N-OD2 3.12Å; T233-D239 PolarHBondContact OG1-OD1 3.03Å; T233-L267 HydrophobicContact CG2-CD1 3.64Å; T233-W437 HydrophobicContact CG2-CH2 3.78Å; T233-W437 HydrophobicContact CG2-CZ2 4.33Å
234G88.9Confident94.3Very high0 Ų023.7 Ų23.70%013%0.127CC..SBendtrans84.9-3.4-173.600000114D239 Q526 F535 C536G234-D239 PolarHBondContact N-OD2 3.3Å; G234-Q526 PolarHBondContact O-NE2 3.36Å; G234-F535 VanDerWaalsContact CA-CD2 3.5Å; G234-C536 PolarHBondContact O-N 2.98Å
235Q92.9Very high94.3Very high8 Ų817.6 Ų17.64%0.03710%0.1CC..  trans-99.1127.6175.8-57.5-58-52.200109.8T233 V237 L238 D239 Q526T233-Q235 VanDerWaalsContact C-N 3.26Å; T233-Q235 PolarHBondContact OG1-N 3.42Å; Q235-V237 PolarHBondContact O-N 2.97Å; Q235-L238 HydrophobicContact CB-CB 4.09Å; Q235-L238 HydrophobicContact CB-CD1 3.89Å; Q235-L238 HydrophobicContact CB-CG 3.86Å; Q235-L238 HydrophobicContact CG-CD1 4.02Å; Q235-L238 PolarHBondContact O-N 3.01Å; Q235-D239 WeakPolarHBondContact O-CB 3.08Å; Q235-D239 PolarHBondContact O-N 2.68Å; Q235-Q526 VanDerWaalsContact OE1-CD 3.29Å
236R94.9Very high94.3Very high0 Ų016.3 Ų16.30%09%0.093CC..Hα-helixtrans-58.2-47.3-176.2-72.1173.5-78-172-4.8112.7L238 A240 D522 F523 Q525 D533 C536 T541R236-L238 VanDerWaalsContact C-N 3.35Å; R236-L238 PolarHBondContact O-N 3.47Å; R236-A240 WeakPolarHBondContact O-CB 3.5Å; R236-A240 PolarHBondContact O-N 3.48Å; R236-D522 PolarHBondContact NH1-O 3.4Å; R236-F523 HydrophobicContact CB-CE2 4.41Å; R236-F523 HydrophobicContact CB-CZ 4.39Å; R236-F523 WeakPolarHBondContact CD-O 3.42Å; R236-F523 PolarHBondContact NE-O 2.86Å; R236-Q525 PolarHBondContact NH2-O 3.17Å; R236-D533 IonicContact NH2-OD1 3.09Å; R236-D533 IonicContact NH2-OD2 2.89Å; R236-C536 HydrophobicContact CG-CB 3.8Å; R236-C536 VanDerWaalsContact CG-SG 3.58Å; R236-T541 HydrophobicContact CB-CG2 4.22Å; R236-T541 HydrophobicContact CG-CG2 4.1Å
237V94.9Very high94.3Very high2 Ų211.4 Ų11.41%0.0126%0.062CC..Hα-helixtrans-64.4-38.9-17962.90000112.5Q235 L241 F242 P450 V452 L524Q235-V237 PolarHBondContact O-N 2.97Å; V237-L241 HydrophobicContact CG2-CD1 4.24Å; V237-L241 WeakPolarHBondContact O-CB 3.2Å; V237-L241 PolarHBondContact O-N 3.45Å; V237-L241 VanDerWaalsContact O-N 3.09Å; V237-F242 HydrophobicContact CG2-CD2 4.5Å; V237-F242 HydrophobicContact CG2-CE2 4.39Å; V237-P450 HydrophobicContact CG1-CG 3.54Å; V237-V452 HydrophobicContact CG1-CB 4.36Å; V237-V452 HydrophobicContact CG1-CG2 4.1Å; V237-V452 HydrophobicContact CG2-CB 4.22Å; V237-V452 HydrophobicContact CG2-CG1 4.25Å; V237-L524 HydrophobicContact CB-CD2 4Å; V237-L524 HydrophobicContact CG2-CD2 3.86Å
238L94.6Very high94.4Very high0 Ų010.6 Ų10.60%06%0.056CC..Hα-helixtrans-75-44.1-178.1-57.1-175.9000110.6T233 Q235 R236 F242 P243 I263 W437 V452T233-L238 HydrophobicContact CG2-CB 4.27Å; T233-L238 HydrophobicContact CG2-CD1 4.44Å; T233-L238 WeakPolarHBondContact OG1-CB 3.19Å; Q235-L238 HydrophobicContact CB-CB 4.09Å; Q235-L238 HydrophobicContact CB-CD1 3.89Å; Q235-L238 HydrophobicContact CB-CG 3.86Å; Q235-L238 HydrophobicContact CG-CD1 4.02Å; Q235-L238 PolarHBondContact O-N 3.01Å; R236-L238 VanDerWaalsContact C-N 3.35Å; R236-L238 PolarHBondContact O-N 3.47Å; L238-F242 CarbonylContact O-C 3.53Å; L238-P243 VanDerWaalsContact O-CA 3.31Å; L238-P243 WeakPolarHBondContact O-CA 3.28Å; L238-I263 HydrophobicContact CD1-CG2 3.84Å; L238-W437 HydrophobicContact CB-CZ2 4.16Å; L238-W437 HydrophobicContact CD1-CD2 4.41Å; L238-W437 HydrophobicContact CD1-CE3 4Å; L238-W437 HydrophobicContact CD1-CH2 4.16Å; L238-W437 HydrophobicContact CD1-CZ2 4.48Å; L238-W437 HydrophobicContact CD1-CZ3 3.89Å; L238-W437 HydrophobicContact CD2-CB 4.43Å; L238-W437 HydrophobicContact CD2-CD2 3.6Å; L238-W437 HydrophobicContact CD2-CE3 3.97Å; L238-W437 HydrophobicContact CD2-CG 3.78Å; L238-W437 HydrophobicContact CD2-CZ2 4.39Å; L238-W437 HydrophobicContact CG-CD2 4.49Å; L238-V452 HydrophobicContact CD2-CG2 3.82Å
239D95Very high94.5Very high5 Ų57.7 Ų7.73%0.0274%0.04CC..Hα-helixtrans-75.5-29.5-177.9-67.4-9.2000112.2T233 G234 Q235 F538T233-D239 VanDerWaalsContact CB-OD1 3.31Å; T233-D239 WeakPolarHBondContact CB-OD1 3.49Å; T233-D239 WeakPolarHBondContact CG2-OD1 3.33Å; T233-D239 PolarHBondContact N-OD1 3.13Å; T233-D239 PolarHBondContact N-OD2 3.12Å; T233-D239 PolarHBondContact OG1-OD1 3.03Å; G234-D239 PolarHBondContact N-OD2 3.3Å; Q235-D239 WeakPolarHBondContact O-CB 3.08Å; Q235-D239 PolarHBondContact O-N 2.68Å; D239-F538 HydrophobicContact CB-CD2 4.42Å
240A94.4Very high94.6Very high0 Ų04.9 Ų4.90%03%0.027CC..Hα-helixtrans-90.8-57.9-178.200000113.7R236 F476 R480 F523 T541R236-A240 WeakPolarHBondContact O-CB 3.5Å; R236-A240 PolarHBondContact O-N 3.48Å; A240-F476 HydrophobicContact CB-CE2 4.03Å; A240-F476 HydrophobicContact CB-CZ 4.03Å; A240-F476 WeakPolarHBondContact O-CZ 3.31Å; A240-R480 WeakPolarHBondContact O-CD 3.39Å; A240-F523 HydrophobicContact CB-CE1 4.16Å; A240-F523 HydrophobicContact CB-CZ 3.8Å; A240-T541 HydrophobicContact CB-CG2 4.01Å
241L94.5Very high94.6Very high2 Ų24.8 Ų4.81%0.013%0.027CC..THydrogen-bonded Turntrans-84.5-36.3-170-62.8-173.3000112.9V237 W454 R480 K484 L487 L524V237-L241 HydrophobicContact CG2-CD1 4.24Å; V237-L241 WeakPolarHBondContact O-CB 3.2Å; V237-L241 PolarHBondContact O-N 3.45Å; V237-L241 VanDerWaalsContact O-N 3.09Å; L241-W454 HydrophobicContact CD1-CB 4.08Å; L241-R480 HydrophobicContact CD2-CG 4.37Å; L241-K484 HydrophobicContact CD2-CG 4.03Å; L241-K484 WeakPolarHBondContact O-CE 3.5Å; L241-K484 PolarHBondContact O-NZ 2.96Å; L241-L487 HydrophobicContact CD1-CD1 4.13Å; L241-L524 HydrophobicContact CD1-CD2 3.84Å
242F95.9Very high94.6Very high2 Ų24.8 Ų4.81%0.0093%0.027CC..SBendtrans-132.858.2-172.3-48.3-63000112V237 L238 W437 V452 W454 S457V237-F242 HydrophobicContact CG2-CD2 4.5Å; V237-F242 HydrophobicContact CG2-CE2 4.39Å; L238-F242 CarbonylContact O-C 3.53Å; F242-W437 PolarHBondContact O-NE1 2.89Å; F242-V452 HydrophobicContact CD2-CG1 4.26Å; F242-V452 HydrophobicContact CE2-CG1 4.25Å; F242-W454 HydrophobicContact CE2-CB 4.22Å; F242-W454 HydrophobicContact CZ-CB 4.18Å; F242-W454 WeakPolarHBondContact CZ-O 3.41Å; F242-S457 WeakPolarHBondContact CE1-O 3.24Å
243P95.4Very high94.5Very high2 Ų22.9 Ų2.91%0.0132%0.017CC..  trans-62.5142.9-171.927.1-35.8000111.6L238 S459 L465L238-P243 VanDerWaalsContact O-CA 3.31Å; L238-P243 WeakPolarHBondContact O-CA 3.28Å; P243-S459 PolarHBondContact O-OG 3.14Å; P243-L465 HydrophobicContact CB-CD1 3.65Å; P243-L465 HydrophobicContact CG-CD1 3.8Å
244C95.5Very high94.4Very high0 Ų02.8 Ų2.80%02%0.016CC..EExtended strand (participates in β ladder)trans-102.4161.6166.6-170.50000110P230 L231 T250 V435 W437P230-C244 WeakPolarHBondContact CA-O 3.35Å; L231-C244 HydrophobicContact CB-CB 4.37Å; L231-C244 PolarHBondContact N-O 3.28Å; C244-T250 PolarHBondContact SG-OG1 3.14Å; C244-V435 HydrophobicContact CB-CG2 4.45Å; C244-W437 HydrophobicContact CB-CH2 4.33Å; C244-W437 HydrophobicContact CB-CZ2 3.94Å
245V96.4Very high94.3Very high0 Ų03.2 Ų3.20%02%0.02CC..EExtended strand (participates in β ladder)trans-117.3154.3-180-61.30000110.5A227 H229 G247 G248 Y461 L465A227-V245 HydrophobicContact CB-CB 3.96Å; A227-V245 HydrophobicContact CB-CG2 3.52Å; H229-V245 CarbonylContact O-C 2.9Å; H229-V245 WeakPolarHBondContact O-CA 3.49Å; V245-G247 PolarHBondContact O-N 3.39Å; V245-G248 WeakPolarHBondContact O-CA 3.3Å; V245-G248 PolarHBondContact O-N 2.99Å; V245-Y461 HydrophobicContact CB-CG 4.5Å; V245-Y461 HydrophobicContact CG1-CD1 4.28Å; V245-Y461 HydrophobicContact CG1-CD2 4.32Å; V245-Y461 HydrophobicContact CG1-CG 3.89Å; V245-Y461 HydrophobicContact CG2-CD1 3.76Å; V245-Y461 HydrophobicContact CG2-CD2 3.79Å; V245-Y461 HydrophobicContact CG2-CE1 3.77Å; V245-Y461 HydrophobicContact CG2-CE2 3.8Å; V245-Y461 HydrophobicContact CG2-CG 3.78Å; V245-L465 HydrophobicContact CG1-CD1 3.73Å; V245-L465 HydrophobicContact CG1-CD2 3.75Å; V245-L465 HydrophobicContact CG1-CG 3.68Å
246Q95.3Very high93.8Very high17 Ų177.7 Ų7.78%0.0794%0.039CC..THydrogen-bonded Turntrans-67.5114.1170.8-69.7-174.1-19.400109.6A227 H229 L231 N272 S409A227-Q246 WeakPolarHBondContact CB-O 3.43Å; H229-Q246 VanDerWaalsContact CD2-CD 3.5Å; H229-Q246 PolarHBondContact CD2-OE1 3.4Å; H229-Q246 PolarHBondContact O-N 2.97Å; L231-Q246 HydrophobicContact CB-CG 4.28Å; L231-Q246 HydrophobicContact CD1-CG 4.23Å; Q246-N272 VanDerWaalsContact NE2-CG 3.31Å; Q246-N272 PolarHBondContact NE2-ND2 3.49Å; Q246-N272 VanDerWaalsContact NE2-ND2 3.18Å; Q246-N272 PolarHBondContact NE2-O 3.13Å; Q246-N272 VanDerWaalsContact NE2-O 3.13Å; Q246-N272 PolarHBondContact NE2-OD1 3.41Å; Q246-S409 WeakPolarHBondContact CA-OG 3.17Å
247G94.1Very high93.2Very high6 Ų611.2 Ų11.26%0.0628%0.075CC..THydrogen-bonded Turntrans1001-167.800000114V245 G394 V408 S409V245-G247 PolarHBondContact O-N 3.39Å; G247-G394 WeakPolarHBondContact O-CA 3.47Å; G247-G394 PolarHBondContact O-N 3.22Å; G247-V408 CarbonylContact C-O 3.56Å; G247-V408 VanDerWaalsContact CA-O 3.29Å; G247-V408 WeakPolarHBondContact CA-O 3.41Å; G247-S409 PolarHBondContact N-OG 3.42Å
248G95.3Very high92.7Very high0 Ų011.2 Ų11.20%08%0.075CC..  trans-80.1167-178.400000113.9V245 S409 I410V245-G248 WeakPolarHBondContact O-CA 3.3Å; V245-G248 PolarHBondContact O-N 2.99Å; G248-S409 WeakPolarHBondContact O-CA 3.28Å; G248-I410 PolarHBondContact O-N 3.37Å
249T96.8Very high92.3Very high13 Ų1312 Ų128%0.088%0.083CC..EExtended strand (participates in β ladder)trans-116.2122.5173.752.60000109.5Y390 A393 Q434 V435 Y461T249-Y390 HydrophobicContact CG2-CD1 4.21Å; T249-Y390 WeakPolarHBondContact CG2-O 3.38Å; T249-A393 HydrophobicContact CG2-CB 3.69Å; T249-Q434 PolarHBondContact O-N 3.4Å; T249-Q434 PolarHBondContact OG1-N 3.26Å; T249-V435 PolarHBondContact O-N 3.33Å; T249-Y461 PolarHBondContact N-OH 2.87Å
250T96.3Very high92Very high0 Ų012.4 Ų12.40%09%0.085CC..EExtended strand (participates in β ladder)trans-125.3136.8-179.9-58.30000110.7C244 I252 I410 V411 G412 V435 W437C244-T250 PolarHBondContact SG-OG1 3.14Å; T250-I252 HydrophobicContact CG2-CG1 4.39Å; T250-I410 PolarHBondContact N-O 2.77Å; T250-V411 WeakPolarHBondContact O-CA 3Å; T250-G412 PolarHBondContact O-N 3.34Å; T250-V435 WeakPolarHBondContact CA-O 3.32Å; T250-V435 HydrophobicContact CG2-CB 4.11Å; T250-V435 HydrophobicContact CG2-CG1 4.01Å; T250-W437 HydrophobicContact CG2-CD2 3.54Å; T250-W437 HydrophobicContact CG2-CE3 3.56Å; T250-W437 HydrophobicContact CG2-CG 4.18Å; T250-W437 HydrophobicContact CG2-CH2 3.89Å; T250-W437 HydrophobicContact CG2-CZ2 3.93Å; T250-W437 HydrophobicContact CG2-CZ3 3.72Å
251A95.6Very high91.5Very high1 Ų114.4 Ų14.41%0.00810%0.097CC..EExtended strand (participates in β ladder)trans-109.8138.1165.200000111.4P253 G412 V414 T429 V433 V435 W437A251-P253 WeakPolarHBondContact O-CD 3.42Å; A251-G412 CarbonylContact C-O 3.47Å; A251-G412 WeakPolarHBondContact CA-O 3.4Å; A251-V414 HydrophobicContact CB-CG2 4.43Å; A251-T429 HydrophobicContact CB-CG2 3.53Å; A251-V433 HydrophobicContact CB-CB 4.4Å; A251-V433 HydrophobicContact CB-CG1 4.07Å; A251-V433 HydrophobicContact CB-CG2 3.84Å; A251-V435 PolarHBondContact N-O 3.43Å; A251-W437 PolarHBondContact O-N 3.11Å
252I94.8Very high91.2Very high0 Ų016.9 Ų16.90%011%0.112CC..EExtended strand (participates in β ladder)trans-117.182.8172.9-45.9-176.1000108.1T250 K260 I263 V411 G412 V414 W437 L439T250-I252 HydrophobicContact CG2-CG1 4.39Å; I252-K260 HydrophobicContact CG2-CG 4.26Å; I252-I263 HydrophobicContact CD1-CB 4.47Å; I252-I263 HydrophobicContact CD1-CG2 3.78Å; I252-V411 HydrophobicContact CD1-CG1 3.48Å; I252-V411 VanDerWaalsContact CD1-CG1 3.48Å; I252-V411 HydrophobicContact CG1-CG1 3.86Å; I252-G412 PolarHBondContact N-O 3.46Å; I252-V414 PolarHBondContact O-N 3.3Å; I252-W437 HydrophobicContact CD1-CE3 3.64Å; I252-W437 HydrophobicContact CD1-CZ3 3.92Å; I252-W437 HydrophobicContact CG1-CE3 3.67Å; I252-W437 HydrophobicContact CG1-CZ3 4.3Å; I252-L439 HydrophobicContact CG2-CD1 3.62Å; I252-L439 HydrophobicContact CG2-CD2 4.47Å; I252-L439 HydrophobicContact CG2-CG 3.85Å
253P92.8Very high90.9Very high1 Ų117.3 Ų17.31%0.00612%0.115CC..EExtended strand (participates in β ladder)trans-76.1148.7169.937.2-42000111.1A251 V414 F421 T426 F436 W437 L439A251-P253 WeakPolarHBondContact O-CD 3.42Å; P253-V414 VanDerWaalsContact CA-O 3.24Å; P253-V414 WeakPolarHBondContact CA-O 3.45Å; P253-V414 HydrophobicContact CB-CB 4.11Å; P253-F421 HydrophobicContact CB-CD1 4.32Å; P253-F421 HydrophobicContact CB-CE1 3.95Å; P253-F421 HydrophobicContact CG-CE1 3.98Å; P253-T426 HydrophobicContact CB-CG2 4.48Å; P253-F436 HydrophobicContact CB-CE2 4.33Å; P253-F436 HydrophobicContact CG-CD2 4.07Å; P253-F436 HydrophobicContact CG-CE1 4.43Å; P253-F436 HydrophobicContact CG-CE2 3.26Å; P253-F436 HydrophobicContact CG-CZ 3.45Å; P253-F436 VanDerWaalsContact CG-CZ 3.45Å; P253-W437 WeakPolarHBondContact CD-O 3.48Å; P253-L439 WeakPolarHBondContact O-CB 3.46Å; P253-L439 PolarHBondContact O-N 3.02Å
254G88.3Confident90.5Very high0 Ų017.4 Ų17.40%012%0.115CC..  trans179.1159.3169.100000111.6K260 V414G254-K260 PolarHBondContact O-NZ 3.24Å; G254-V414 PolarHBondContact N-O 3.44Å; G254-V414 VanDerWaalsContact N-O 3.08Å
255A85.8Confident90Very high9 Ų918.6 Ų18.67%0.07412%0.121CC..  trans-62.2166.2170.500000111.3G257 C258 K260 K441A255-G257 PolarHBondContact O-N 3.32Å; A255-C258 PolarHBondContact O-N 2.77Å; A255-K260 PolarHBondContact O-NZ 3.02Å; A255-K441 HydrophobicContact CB-CD 4.25Å
256F83.6Confident89.5Confident102 Ų10219 Ų1945%0.44712%0.123SC..THydrogen-bonded Turntrans-61136.7171.6-63.6-76.8000110.4
257G81.8Confident89.2Confident73 Ų7318.2 Ų18.275%0.75312%0.12SC*.THydrogen-bonded Turntrans81.53.2179.800000116A255 G259A255-G257 PolarHBondContact O-N 3.32Å; G257-G259 PolarHBondContact O-N 3.11Å
258C85.5Confident88.8Confident2 Ų218 Ų181%0.01412%0.117CC..SBendtrans-77.76.5174.5-66.60000114.2A255 L439 S451A255-C258 PolarHBondContact O-N 2.77Å; C258-L439 HydrophobicContact CB-CB 3.99Å; C258-L439 HydrophobicContact CB-CD1 4.15Å; C258-S451 PolarHBondContact O-OG 3.11Å
259G85.2Confident88.2Confident16 Ų1619.6 Ų19.617%0.16512%0.124CC..SBendtrans85.122.3177.700000116.2G257 T261 V262 I263G257-G259 PolarHBondContact O-N 3.11Å; G259-T261 PolarHBondContact O-N 3.39Å; G259-V262 PolarHBondContact O-N 3.15Å; G259-I263 PolarHBondContact O-N 2.96Å
260K88.1Confident87.7Confident14 Ų1421 Ų216%0.06113%0.129CC..Hα-helixtrans-54.3-50.3174.5-67.5-169.7-61.4-89.80112.9I252 G254 A255 V262 I263 S264 A413 S415 L439I252-K260 HydrophobicContact CG2-CG 4.26Å; G254-K260 PolarHBondContact O-NZ 3.24Å; A255-K260 PolarHBondContact O-NZ 3.02Å; K260-V262 VanDerWaalsContact C-N 3.31Å; K260-V262 PolarHBondContact O-N 2.88Å; K260-I263 PolarHBondContact O-N 3.01Å; K260-S264 PolarHBondContact O-N 2.76Å; K260-S264 PolarHBondContact O-OG 3.21Å; K260-A413 HydrophobicContact CD-CB 4.31Å; K260-S415 WeakPolarHBondContact CE-OG 3.23Å; K260-S415 PolarHBondContact NZ-OG 3.46Å; K260-S415 VanDerWaalsContact NZ-OG 3.13Å; K260-L439 HydrophobicContact CB-CD1 4.41Å; K260-L439 HydrophobicContact CG-CD1 3.52Å
261T85.1Confident87.4Confident42 Ų4221.3 Ų21.326%0.25813%0.131SC..Hα-helixtrans-67-33.8179.5-44.70000111.3G259 S264 Q265 D353G259-T261 PolarHBondContact O-N 3.39Å; T261-S264 PolarHBondContact O-N 2.87Å; T261-Q265 VanDerWaalsContact O-CB 3.28Å; T261-Q265 WeakPolarHBondContact O-CB 3.46Å; T261-Q265 PolarHBondContact O-N 3.16Å; T261-D353 PolarHBondContact OG1-OD2 3.39Å
262V87.4Confident87.2Confident55 Ų5523.6 Ų23.633%0.33314%0.142SC..Hα-helixtrans-64.4-41.9175.3-179.80000111.3G259 K260 S266G259-V262 PolarHBondContact O-N 3.15Å; K260-V262 VanDerWaalsContact C-N 3.31Å; K260-V262 PolarHBondContact O-N 2.88Å; V262-S266 WeakPolarHBondContact O-CB 3.45Å; V262-S266 PolarHBondContact O-N 3.05Å; V262-S266 PolarHBondContact O-OG 3.06Å
263I89.8Confident87.1Confident10 Ų1023.6 Ų23.65%0.05114%0.143CC..Hα-helixtrans-64.6-45.1174.6-66.5172.6000110.2L238 I252 G259 K260 Q265 S266 L267 W437 L439 P450L238-I263 HydrophobicContact CD1-CG2 3.84Å; I252-I263 HydrophobicContact CD1-CB 4.47Å; I252-I263 HydrophobicContact CD1-CG2 3.78Å; G259-I263 PolarHBondContact O-N 2.96Å; K260-I263 PolarHBondContact O-N 3.01Å; I263-Q265 PolarHBondContact O-N 2.86Å; I263-S266 PolarHBondContact O-N 3.19Å; I263-L267 WeakPolarHBondContact O-CB 3.33Å; I263-L267 PolarHBondContact O-N 2.79Å; I263-W437 HydrophobicContact CG2-CZ3 4.42Å; I263-L439 HydrophobicContact CD1-CD1 4.23Å; I263-L439 HydrophobicContact CD1-CD2 3.71Å; I263-P450 HydrophobicContact CD1-CB 4.36Å
264S87.2Confident87.2Confident4 Ų426.6 Ų26.63%0.02816%0.159CC..Hα-helixtrans-61.2-44.7178.4-56.40000111.6K260 T261 S266 L267 S268 M351K260-S264 PolarHBondContact O-N 2.76Å; K260-S264 PolarHBondContact O-OG 3.21Å; T261-S264 PolarHBondContact O-N 2.87Å; S264-S266 VanDerWaalsContact C-N 3.34Å; S264-S266 PolarHBondContact O-N 2.77Å; S264-L267 PolarHBondContact O-N 2.8Å; S264-S268 PolarHBondContact O-N 2.92Å; S264-S268 PolarHBondContact O-OG 3.34Å; S264-M351 WeakPolarHBondContact O-CE 3.39Å
265Q84.4Confident87.5Confident26 Ų2626.6 Ų26.612%0.12116%0.159CC..Hα-helixtrans-65.1-36.4176-156.1-156.810.100112T261 I263 S268 K269 F295T261-Q265 VanDerWaalsContact O-CB 3.28Å; T261-Q265 WeakPolarHBondContact O-CB 3.46Å; T261-Q265 PolarHBondContact O-N 3.16Å; I263-Q265 PolarHBondContact O-N 2.86Å; Q265-S268 WeakPolarHBondContact CA-OG 3.39Å; Q265-S268 PolarHBondContact O-OG 3.22Å; Q265-K269 WeakPolarHBondContact O-CD 3.41Å; Q265-K269 VanDerWaalsContact O-CE 3.28Å; Q265-K269 WeakPolarHBondContact O-CE 3.09Å; Q265-K269 WeakPolarHBondContact O-CG 3.48Å; Q265-K269 PolarHBondContact O-N 3.36Å; Q265-F295 HydrophobicContact CG-CE1 3.88Å
266S86.3Confident87.9Confident7 Ų726.2 Ų26.25%0.04916%0.155CC..Hα-helixtrans-69.2-41.5176.6-59.70000110.9V262 I263 S264 S268 K269 Y270V262-S266 WeakPolarHBondContact O-CB 3.45Å; V262-S266 PolarHBondContact O-N 3.05Å; V262-S266 PolarHBondContact O-OG 3.06Å; I263-S266 PolarHBondContact O-N 3.19Å; S264-S266 VanDerWaalsContact C-N 3.34Å; S264-S266 PolarHBondContact O-N 2.77Å; S266-S268 VanDerWaalsContact C-N 3.34Å; S266-S268 PolarHBondContact O-N 3.45Å; S266-K269 PolarHBondContact O-N 2.84Å; S266-Y270 WeakPolarHBondContact O-CD2 3.16Å; S266-Y270 PolarHBondContact O-N 3.3Å
267L88.9Confident88.5Confident2 Ų221.3 Ų21.31%0.0113%0.134CC..Hα-helixtrans-64.6-37.2176.4-178.773.2000111.5L231 T233 I263 S264 K269 S271 M351 V411L231-L267 HydrophobicContact CD2-CD1 4.22Å; L231-L267 HydrophobicContact CG-CD1 4.43Å; T233-L267 HydrophobicContact CG2-CD1 3.64Å; I263-L267 WeakPolarHBondContact O-CB 3.33Å; I263-L267 PolarHBondContact O-N 2.79Å; S264-L267 PolarHBondContact O-N 2.8Å; L267-K269 VanDerWaalsContact C-N 3.32Å; L267-K269 PolarHBondContact O-N 3.06Å; L267-S271 WeakPolarHBondContact O-CB 3.45Å; L267-S271 PolarHBondContact O-N 3.47Å; L267-S271 VanDerWaalsContact O-N 3.11Å; L267-S271 PolarHBondContact O-OG 2.71Å; L267-M351 HydrophobicContact CB-CE 3.66Å; L267-M351 HydrophobicContact CD2-CE 3.57Å; L267-M351 HydrophobicContact CG-CE 3.51Å; L267-V411 HydrophobicContact CD2-CB 4.18Å; L267-V411 HydrophobicContact CD2-CG1 4.29Å; L267-V411 HydrophobicContact CD2-CG2 3.59Å
268S86.1Confident89.2Confident0 Ų018 Ų180%010%0.099CC..Hα-helixtrans-69.9-31.6177.863.90000112.4S264 Q265 S266 R312S264-S268 PolarHBondContact O-N 2.92Å; S264-S268 PolarHBondContact O-OG 3.34Å; Q265-S268 WeakPolarHBondContact CA-OG 3.39Å; Q265-S268 PolarHBondContact O-OG 3.22Å; S266-S268 VanDerWaalsContact C-N 3.34Å; S266-S268 PolarHBondContact O-N 3.45Å; S268-R312 PolarHBondContact O-NH2 2.89Å
269K83.1Confident89.6Confident34 Ų3418 Ų1815%0.14810%0.098CC..Hα-helixtrans-74-53.6177.3-70.1171.1-148.7-154.50112.2Q265 S266 L267 L298 I309 R312Q265-K269 WeakPolarHBondContact O-CD 3.41Å; Q265-K269 VanDerWaalsContact O-CE 3.28Å; Q265-K269 WeakPolarHBondContact O-CE 3.09Å; Q265-K269 WeakPolarHBondContact O-CG 3.48Å; Q265-K269 PolarHBondContact O-N 3.36Å; S266-K269 PolarHBondContact O-N 2.84Å; L267-K269 VanDerWaalsContact C-N 3.32Å; L267-K269 PolarHBondContact O-N 3.06Å; K269-L298 HydrophobicContact CD-CD1 3.85Å; K269-L298 HydrophobicContact CD-CD2 3.94Å; K269-L298 HydrophobicContact CD-CG 4.47Å; K269-L298 HydrophobicContact CG-CD1 3.97Å; K269-I309 HydrophobicContact CG-CD1 4.27Å; K269-R312 PolarHBondContact O-NH2 3.27Å
270Y86.1Confident90Very high44 Ų4417.2 Ų17.217%0.1739%0.09CC..Hα-helixtrans-108.8-0.9-161.1-51.5-61.5000114.6S266 R534 F535S266-Y270 WeakPolarHBondContact O-CD2 3.16Å; S266-Y270 PolarHBondContact O-N 3.3Å; Y270-R534 WeakPolarHBondContact CD2-O 3.4Å; Y270-R534 HydrophobicContact CE1-CG 4.34Å; Y270-R534 HydrophobicContact CE2-CB 4.28Å; Y270-R534 WeakPolarHBondContact CE2-O 3.36Å; Y270-R534 WeakPolarHBondContact OH-CB 3.1Å; Y270-R534 WeakPolarHBondContact OH-CD 3.18Å; Y270-R534 WeakPolarHBondContact OH-CG 3.49Å; Y270-F535 VanDerWaalsContact CB-CD2 3.47Å; Y270-F535 HydrophobicContact CD1-CB 3.74Å; Y270-F535 HydrophobicContact CD1-CD2 4.24Å; Y270-F535 HydrophobicContact CD1-CG 4.14Å; Y270-F535 HydrophobicContact CD2-CB 4.33Å; Y270-F535 HydrophobicContact CE1-CB 4.06Å; Y270-F535 HydrophobicContact CG-CB 3.91Å; Y270-F535 AromaticContact CG-CD2 3.91Å; Y270-F535 HydrophobicContact CG-CD2 3.91Å; Y270-F535 HydrophobicContact CG-CG 4.21Å
271S89.7Confident90.3Very high6 Ų616.5 Ų16.54%0.0429%0.087CC..  trans-65.1147.2176.758.60000112.5L232 L267 S273 I276L232-S271 VanDerWaalsContact O-CA 3.28Å; L232-S271 WeakPolarHBondContact O-CA 2.96Å; L267-S271 WeakPolarHBondContact O-CB 3.45Å; L267-S271 PolarHBondContact O-N 3.47Å; L267-S271 VanDerWaalsContact O-N 3.11Å; L267-S271 PolarHBondContact O-OG 2.71Å; S271-S273 PolarHBondContact O-N 3.19Å; S271-I276 WeakPolarHBondContact OG-CD1 3.41Å
272N91.7Very high90.4Very high48 Ų4814.8 Ų14.826%0.2578%0.078SC..SBendtrans-74.227.7168.362.2-21000112.6H229 P230 L232 Q246H229-N272 PolarHBondContact NE2-ND2 3.46Å; P230-N272 PolarHBondContact O-ND2 3.11Å; L232-N272 PolarHBondContact N-OD1 2.94Å; L232-N272 VanDerWaalsContact N-OD1 3.11Å; Q246-N272 VanDerWaalsContact NE2-CG 3.31Å; Q246-N272 PolarHBondContact NE2-ND2 3.49Å; Q246-N272 VanDerWaalsContact NE2-ND2 3.18Å; Q246-N272 PolarHBondContact NE2-O 3.13Å; Q246-N272 VanDerWaalsContact NE2-O 3.13Å; Q246-N272 PolarHBondContact NE2-OD1 3.41Å
273S92.7Very high90.4Very high1 Ų113 Ų131%0.0077%0.066CC..  trans-94143.1176-62.60000110.6L231 S271 R312L231-S273 WeakPolarHBondContact CD1-OG 3.29Å; S271-S273 PolarHBondContact O-N 3.19Å; S273-R312 PolarHBondContact O-NH1 3.37Å
274D93.8Very high90.2Very high64 Ų6419.2 Ų19.234%0.3429%0.089SC..SBendtrans-76.1-38.7-178.7-57.3-47.2000111.4R312 Y346 N347D274-R312 WeakPolarHBondContact O-CD 3.38Å; D274-Y346 HydrophobicContact CB-CD1 3.7Å; D274-Y346 HydrophobicContact CB-CG 4.25Å; D274-N347 PolarHBondContact N-O 3.2Å; D274-N347 PolarHBondContact OD2-N 3.2Å
275V95.1Very high90Very high0 Ų020.9 Ų20.90%011%0.107CC..EExtended strand (participates in β ladder)trans-131.4138.3-176.1177.40000109.9M99 I166 I277 R312 F341 Y346 N347 V348 S349M99-V275 HydrophobicContact CE-CB 4.09Å; M99-V275 HydrophobicContact CE-CG1 3.4Å; M99-V275 HydrophobicContact CE-CG2 3.49Å; M99-V275 VanDerWaalsContact CE-CG2 3.49Å; M99-V275 HydrophobicContact SD-CG1 4.12Å; I166-V275 HydrophobicContact CD1-CG2 3.93Å; V275-I277 HydrophobicContact CG1-CD1 4.15Å; V275-I277 HydrophobicContact CG1-CG1 4.48Å; V275-R312 WeakPolarHBondContact CA-O 3.18Å; V275-F341 HydrophobicContact CG1-CB 4.33Å; V275-F341 HydrophobicContact CG1-CD2 4.01Å; V275-F341 HydrophobicContact CG1-CG 4.08Å; V275-F341 HydrophobicContact CG2-CB 4.48Å; V275-F341 HydrophobicContact CG2-CG 4.48Å; V275-Y346 HydrophobicContact CG2-CG 4.36Å; V275-N347 PolarHBondContact N-O 2.8Å; V275-V348 HydrophobicContact CB-CG1 4.33Å; V275-V348 HydrophobicContact CB-CG2 4.27Å; V275-V348 HydrophobicContact CG1-CG1 4.28Å; V275-V348 WeakPolarHBondContact O-CA 3.33Å; V275-S349 PolarHBondContact O-N 2.94Å
276I95.3Very high90Very high0 Ų025.9 Ų25.90%013%0.134CC..EExtended strand (participates in β ladder)trans-114.9131.8174.9-53.2-61.3000109.8S271 R312 T313 A314 S349 M351S271-I276 WeakPolarHBondContact OG-CD1 3.41Å; I276-R312 PolarHBondContact N-O 3.13Å; I276-T313 HydrophobicContact CB-CG2 4.11Å; I276-T313 HydrophobicContact CG2-CG2 4.21Å; I276-T313 VanDerWaalsContact O-CA 3.25Å; I276-T313 WeakPolarHBondContact O-CA 3.32Å; I276-A314 PolarHBondContact O-N 2.83Å; I276-S349 WeakPolarHBondContact CA-O 3.5Å; I276-M351 HydrophobicContact CG2-CE 4.14Å; I276-M351 HydrophobicContact CG2-SD 4.37Å
277I96.3Very high89.7Confident0 Ų027.9 Ų27.90%014%0.143CC..EExtended strand (participates in β ladder)trans-116.4117.2169.8-55.1-63.2000107.7V275 V279 A314 L337 S338 F341 V348 S349 M350 M351V275-I277 HydrophobicContact CG1-CD1 4.15Å; V275-I277 HydrophobicContact CG1-CG1 4.48Å; I277-V279 HydrophobicContact CG2-CG2 4.29Å; I277-A314 HydrophobicContact CD1-CB 3.72Å; I277-L337 HydrophobicContact CD1-CB 4.34Å; I277-S338 WeakPolarHBondContact CG1-OG 3.39Å; I277-F341 HydrophobicContact CD1-CD2 4.14Å; I277-F341 HydrophobicContact CD1-CE2 4.22Å; I277-V348 HydrophobicContact CG1-CG1 4.01Å; I277-S349 PolarHBondContact N-O 3.38Å; I277-M350 CarbonylContact O-C 3.42Å; I277-M350 VanDerWaalsContact O-CA 3.32Å; I277-M350 WeakPolarHBondContact O-CA 3.35Å; I277-M351 PolarHBondContact O-N 2.66Å
278Y94.9Very high89.5Confident4 Ų428 Ų282%0.01614%0.144CC..EExtended strand (participates in β ladder)trans-108.2123.2177.6-176.1-87.2000109.7M288 V291 A314 L315 V316 M351 D353Y278-M288 HydrophobicContact CE1-CE 4.29Å; Y278-M288 HydrophobicContact CE1-SD 3.99Å; Y278-V291 HydrophobicContact CE1-CG1 4.4Å; Y278-A314 PolarHBondContact N-O 3.27Å; Y278-L315 HydrophobicContact CD1-CD2 4.23Å; Y278-L315 HydrophobicContact CG-CD2 4.19Å; Y278-L315 WeakPolarHBondContact O-CA 3.44Å; Y278-V316 PolarHBondContact O-N 2.97Å; Y278-M351 HydrophobicContact CD2-CB 3.77Å; Y278-M351 HydrophobicContact CD2-SD 4Å; Y278-M351 HydrophobicContact CE2-CB 4.32Å; Y278-D353 HydrophobicContact CE2-CB 4.47Å; Y278-D353 PolarHBondContact OH-OD2 2.94Å
279V95.3Very high89.4Confident0 Ų031.1 Ų31.10%017%0.165CC..EExtended strand (participates in β ladder)trans-113.4109.1177.5-174.30000109.2I277 V316 I331 M350 M351 D353I277-V279 HydrophobicContact CG2-CG2 4.29Å; V279-V316 CarbonylContact C-O 3.53Å; V279-V316 WeakPolarHBondContact CA-O 3.36Å; V279-V316 HydrophobicContact CB-CB 4.44Å; V279-V316 HydrophobicContact CG1-CB 4.19Å; V279-V316 HydrophobicContact CG1-CG1 4.31Å; V279-V316 HydrophobicContact CG2-CB 4.15Å; V279-V316 HydrophobicContact CG2-CG2 4.34Å; V279-I331 HydrophobicContact CG1-CD1 4.01Å; V279-M350 HydrophobicContact CB-CE 4.39Å; V279-M350 HydrophobicContact CG2-CE 3.64Å; V279-M351 PolarHBondContact N-O 3.19Å; V279-D353 PolarHBondContact O-N 2.84Å
280G93.6Very high89.5Confident0 Ų034.3 Ų34.30%018%0.18CC..EExtended strand (participates in β ladder)trans-82106.3167.300000109.9V316 N318 D353G280-V316 PolarHBondContact N-O 2.87Å; G280-N318 CarbonylContact O-C 3.39Å; G280-N318 WeakPolarHBondContact O-CA 3.49Å; G280-N318 VanDerWaalsContact O-CB 3.31Å; G280-N318 WeakPolarHBondContact O-CB 3.49Å; G280-N318 PolarHBondContact O-N 2.69Å; G280-N318 VanDerWaalsContact O-O 3.07Å; G280-D353 CarbonylContact C-O 3.53Å; G280-D353 WeakPolarHBondContact CA-O 3.46Å
281C93.3Very high89.4Confident0 Ų032.5 Ų32.50%017%0.174CC..EExtended strand (participates in β ladder)trans-110.8102.6177.21740000110.5E283 I331 D353 S354 R357C281-E283 VanDerWaalsContact C-N 3.27Å; C281-E283 PolarHBondContact O-N 2.74Å; C281-I331 HydrophobicContact CB-CD1 3.93Å; C281-I331 HydrophobicContact CB-CG1 4.31Å; C281-D353 PolarHBondContact N-O 2.83Å; C281-S354 PolarHBondContact O-N 3.19Å; C281-R357 VanDerWaalsContact O-CB 3.28Å; C281-R357 WeakPolarHBondContact O-CB 3.26Å
282G88.4Confident89.1Confident6 Ų634.8 Ų34.86%0.06219%0.186CC..EExtended strand (participates in β ladder)trans72.819.117500000114.2N318G282-N318 PolarHBondContact N-O 2.87Å
283E85.9Confident88.9Confident17 Ų1739.5 Ų39.58%0.07920%0.2CC..EExtended strand (participates in β ladder)trans-74.6161.3177.8-64.6-54.9125.100111.9C281 M288 T319 S320 D353 S354C281-E283 VanDerWaalsContact C-N 3.27Å; C281-E283 PolarHBondContact O-N 2.74Å; E283-M288 HydrophobicContact CB-CG 4.14Å; E283-M288 HydrophobicContact CB-SD 4.38Å; E283-T319 CarbonylContact O-C 3.55Å; E283-T319 WeakPolarHBondContact O-CA 3.49Å; E283-S320 PolarHBondContact O-N 3.07Å; E283-D353 HydrophobicContact CG-CB 4.48Å; E283-D353 WeakPolarHBondContact CG-O 3.45Å; E283-D353 VanDerWaalsContact OE1-C 3.28Å; E283-S354 WeakPolarHBondContact OE1-CB 3.43Å; E283-S354 PolarHBondContact OE1-N 3.02Å; E283-S354 PolarHBondContact OE1-OG 3.41Å
284R85.6Confident88.5Confident140 Ų14040.9 Ų40.953%0.52821%0.207SC..  trans-69.5144177.9-60.2-178.8177.2136.2-7.9109.7N286 E287 M288R284-N286 PolarHBondContact O-N 3.04Å; R284-N286 VanDerWaalsContact O-N 3.14Å; R284-E287 HydrophobicContact CB-CG 4.27Å; R284-E287 WeakPolarHBondContact CB-OE2 3.43Å; R284-E287 PolarHBondContact N-OE2 2.73Å; R284-E287 VanDerWaalsContact N-OE2 3.14Å; R284-E287 IonicContact NH1-OE1 3.79Å; R284-E287 PolarHBondContact NH1-OE1 2.86Å; R284-E287 PolarHBondContact O-N 2.9Å; R284-M288 PolarHBondContact O-N 2.62Å; R284-M288 VanDerWaalsContact O-N 3.1Å
285G82.7Confident87.9Confident39 Ų3937.9 Ų37.940%0.40219%0.191SC..Hα-helixtrans-55-34.8177.400000113S289G285-S289 WeakPolarHBondContact O-CB 3.36Å; G285-S289 PolarHBondContact O-N 3.39Å
286N84.4Confident87.4Confident131 Ų13141.1 Ų41.170%0.70121%0.212SC*.Hα-helixtrans-66.9-43.1177.2-66-7000112.6R284 M288 S289 E290R284-N286 PolarHBondContact O-N 3.04Å; R284-N286 VanDerWaalsContact O-N 3.14Å; N286-M288 VanDerWaalsContact C-N 3.34Å; N286-S289 WeakPolarHBondContact CA-OG 3.49Å; N286-S289 PolarHBondContact O-N 3.45Å; N286-S289 PolarHBondContact O-OG 3.26Å; N286-E290 PolarHBondContact O-N 2.84Å
287E81.3Confident86.9Confident49 Ų4947.9 Ų47.923%0.22924%0.243CC..Hα-helixtrans-65-41.9179-68.7157.3178.900110R284 S289 E290 V291R284-E287 HydrophobicContact CB-CG 4.27Å; R284-E287 WeakPolarHBondContact CB-OE2 3.43Å; R284-E287 PolarHBondContact N-OE2 2.73Å; R284-E287 VanDerWaalsContact N-OE2 3.14Å; R284-E287 IonicContact NH1-OE1 3.79Å; R284-E287 PolarHBondContact NH1-OE1 2.86Å; R284-E287 PolarHBondContact O-N 2.9Å; E287-S289 PolarHBondContact O-N 3.2Å; E287-E290 PolarHBondContact O-N 2.91Å; E287-V291 WeakPolarHBondContact O-CG2 3.02Å; E287-V291 PolarHBondContact O-N 3.06Å; E287-V291 VanDerWaalsContact O-N 3.08Å
288M83.4Confident86.1Confident6 Ų649.7 Ų49.73%0.0325%0.253CS..Hα-helixtrans-64.1-39.3172.4-72.2-56.2-51.900112.6Y278 E283 R284 N286 E290 V291 L292 A317Y278-M288 HydrophobicContact CE1-CE 4.29Å; Y278-M288 HydrophobicContact CE1-SD 3.99Å; E283-M288 HydrophobicContact CB-CG 4.14Å; E283-M288 HydrophobicContact CB-SD 4.38Å; R284-M288 PolarHBondContact O-N 2.62Å; R284-M288 VanDerWaalsContact O-N 3.1Å; N286-M288 VanDerWaalsContact C-N 3.34Å; M288-E290 VanDerWaalsContact C-N 3.34Å; M288-E290 PolarHBondContact O-N 2.91Å; M288-V291 PolarHBondContact O-N 2.91Å; M288-L292 WeakPolarHBondContact O-CB 3.15Å; M288-L292 WeakPolarHBondContact O-CG 3.43Å; M288-L292 PolarHBondContact O-N 3.44Å; M288-A317 HydrophobicContact CE-CB 3.65Å
289S85.6Confident85.6Confident65 Ų6554 Ų5446%0.45528%0.28SS..Hα-helixtrans-66.2-35.9177.674.80000112.8G285 N286 E287 L292 R293G285-S289 WeakPolarHBondContact O-CB 3.36Å; G285-S289 PolarHBondContact O-N 3.39Å; N286-S289 WeakPolarHBondContact CA-OG 3.49Å; N286-S289 PolarHBondContact O-N 3.45Å; N286-S289 PolarHBondContact O-OG 3.26Å; E287-S289 PolarHBondContact O-N 3.2Å; S289-L292 PolarHBondContact O-N 3.21Å; S289-R293 WeakPolarHBondContact O-CB 3.36Å; S289-R293 PolarHBondContact O-N 2.85Å
290E84.8Confident84.9Confident100 Ų10055.6 Ų55.647%0.46729%0.288SS..Hα-helixtrans-65-46.5175.2-178.6173.9-158.600110.4N286 E287 M288 L292 R293 D294N286-E290 PolarHBondContact O-N 2.84Å; E287-E290 PolarHBondContact O-N 2.91Å; M288-E290 VanDerWaalsContact C-N 3.34Å; M288-E290 PolarHBondContact O-N 2.91Å; E290-L292 VanDerWaalsContact C-N 3.32Å; E290-L292 PolarHBondContact O-N 3Å; E290-R293 PolarHBondContact O-N 3.08Å; E290-D294 VanDerWaalsContact O-CB 3.3Å; E290-D294 WeakPolarHBondContact O-CB 3.4Å; E290-D294 PolarHBondContact O-N 2.89Å
291V83.6Confident84.1Confident6 Ų662.1 Ų62.14%0.03632%0.318CS..Hα-helixtrans-55.2-47.1172164.60000111.2Y278 E287 M288 R293 D294 F295 L315Y278-V291 HydrophobicContact CE1-CG1 4.4Å; E287-V291 WeakPolarHBondContact O-CG2 3.02Å; E287-V291 PolarHBondContact O-N 3.06Å; E287-V291 VanDerWaalsContact O-N 3.08Å; M288-V291 PolarHBondContact O-N 2.91Å; V291-R293 PolarHBondContact O-N 2.72Å; V291-D294 PolarHBondContact O-N 3.48Å; V291-F295 HydrophobicContact CB-CD1 4.39Å; V291-F295 HydrophobicContact CB-CE1 4.18Å; V291-F295 HydrophobicContact CG1-CD1 3.81Å; V291-F295 HydrophobicContact CG1-CE1 3.56Å; V291-F295 HydrophobicContact CG1-CE2 4.42Å; V291-F295 HydrophobicContact CG1-CG 4.33Å; V291-F295 HydrophobicContact CG1-CZ 3.89Å; V291-F295 HydrophobicContact CG2-CE1 4.25Å; V291-F295 VanDerWaalsContact O-CB 3.28Å; V291-F295 WeakPolarHBondContact O-CB 3.35Å; V291-F295 WeakPolarHBondContact O-CD1 3.48Å; V291-F295 WeakPolarHBondContact O-CG 3.43Å; V291-F295 PolarHBondContact O-N 2.95Å; V291-L315 HydrophobicContact CG1-CD1 4.43Å
292L83.9Confident83.3Confident55 Ų5564.5 Ų64.529%0.28833%0.333SS..Hα-helixtrans-67.5-31.4-178.6-70.9176.3000114.1I102 M288 S289 E290 P296 L315I102-L292 HydrophobicContact CD1-CD2 3.46Å; I102-L292 VanDerWaalsContact CD1-CD2 3.46Å; I102-L292 HydrophobicContact CG1-CD2 3.88Å; I102-L292 HydrophobicContact CG2-CD2 4.18Å; M288-L292 WeakPolarHBondContact O-CB 3.15Å; M288-L292 WeakPolarHBondContact O-CG 3.43Å; M288-L292 PolarHBondContact O-N 3.44Å; S289-L292 PolarHBondContact O-N 3.21Å; E290-L292 VanDerWaalsContact C-N 3.32Å; E290-L292 PolarHBondContact O-N 3Å; L292-P296 WeakPolarHBondContact O-CD 3.4Å; L292-P296 WeakPolarHBondContact O-CG 3.24Å; L292-L315 HydrophobicContact CD2-CD1 3.46Å; L292-L315 VanDerWaalsContact CD2-CD1 3.46Å
293R87Confident82.7Confident146 Ų14671.8 Ų71.855%0.55137%0.37SS*.Hα-helixtrans-77.6-44.6176.1-175.7-168.864.3-153.1-7.1111.4S289 E290 V291 P296S289-R293 WeakPolarHBondContact O-CB 3.36Å; S289-R293 PolarHBondContact O-N 2.85Å; E290-R293 PolarHBondContact O-N 3.08Å; V291-R293 PolarHBondContact O-N 2.72Å; R293-P296 WeakPolarHBondContact O-CD 3.4Å
294D83.7Confident82.1Confident31 Ų3173.9 Ų73.917%0.16640%0.396CS..Hα-helixtrans-78-34.3-171.5-66.77.5000111.8E290 V291 E297 L298E290-D294 VanDerWaalsContact O-CB 3.3Å; E290-D294 WeakPolarHBondContact O-CB 3.4Å; E290-D294 PolarHBondContact O-N 2.89Å; V291-D294 PolarHBondContact O-N 3.48Å; D294-E297 PolarHBondContact O-N 3.14Å; D294-L298 WeakPolarHBondContact O-CD1 3.38Å; D294-L298 WeakPolarHBondContact O-CG 3.36Å; D294-L298 PolarHBondContact O-N 2.86Å
295F82.3Confident81.9Confident1 Ų174.1 Ų74.10%0.00440%0.401CS..Hα-helixtrans-60.6-43.1-176.1-85.948.7000114Q265 V291 E297 L298 I309 M310 T313 L315Q265-F295 HydrophobicContact CG-CE1 3.88Å; V291-F295 HydrophobicContact CB-CD1 4.39Å; V291-F295 HydrophobicContact CB-CE1 4.18Å; V291-F295 HydrophobicContact CG1-CD1 3.81Å; V291-F295 HydrophobicContact CG1-CE1 3.56Å; V291-F295 HydrophobicContact CG1-CE2 4.42Å; V291-F295 HydrophobicContact CG1-CG 4.33Å; V291-F295 HydrophobicContact CG1-CZ 3.89Å; V291-F295 HydrophobicContact CG2-CE1 4.25Å; V291-F295 VanDerWaalsContact O-CB 3.28Å; V291-F295 WeakPolarHBondContact O-CB 3.35Å; V291-F295 WeakPolarHBondContact O-CD1 3.48Å; V291-F295 WeakPolarHBondContact O-CG 3.43Å; V291-F295 PolarHBondContact O-N 2.95Å; F295-E297 VanDerWaalsContact C-N 3.34Å; F295-E297 PolarHBondContact O-N 3.02Å; F295-L298 PolarHBondContact O-N 2.93Å; F295-I309 HydrophobicContact CB-CD1 4.35Å; F295-I309 HydrophobicContact CD2-CD1 4.06Å; F295-I309 HydrophobicContact CG-CD1 4.1Å; F295-I309 WeakPolarHBondContact O-CG1 3.41Å; F295-M310 HydrophobicContact CB-SD 4.31Å; F295-T313 HydrophobicContact CD2-CG2 4.15Å; F295-T313 HydrophobicContact CE2-CG2 4.05Å; F295-L315 HydrophobicContact CD2-CD2 4.16Å; F295-L315 HydrophobicContact CE2-CD2 4.01Å
296P84.1Confident81.9Confident67 Ų6777.3 Ų77.344%0.43541%0.413SS..Hα-helixtrans-62.8-35.9175.2-26.936.3000114.4L292 R293 L298 S308L292-P296 WeakPolarHBondContact O-CD 3.4Å; L292-P296 WeakPolarHBondContact O-CG 3.24Å; R293-P296 WeakPolarHBondContact O-CD 3.4Å; P296-L298 VanDerWaalsContact C-N 3.27Å; P296-L298 PolarHBondContact O-N 2.95Å; P296-S308 PolarHBondContact O-OG 3.44Å
297E84.2Confident82Confident142 Ų14272.8 Ų72.866%0.66439%0.388SS*.Hα-helixtrans-72.4-22.8-178.6-64-177.1179.600112.7D294 F295D294-E297 PolarHBondContact O-N 3.14Å; F295-E297 VanDerWaalsContact C-N 3.34Å; F295-E297 PolarHBondContact O-N 3.02Å
298L80.7Confident82.4Confident39 Ų3971.7 Ų71.720%0.20439%0.385CS..  trans-78.8126.8-178-68.1163.5000110.9K269 D294 F295 P296 S308 I309K269-L298 HydrophobicContact CD-CD1 3.85Å; K269-L298 HydrophobicContact CD-CD2 3.94Å; K269-L298 HydrophobicContact CD-CG 4.47Å; K269-L298 HydrophobicContact CG-CD1 3.97Å; D294-L298 WeakPolarHBondContact O-CD1 3.38Å; D294-L298 WeakPolarHBondContact O-CG 3.36Å; D294-L298 PolarHBondContact O-N 2.86Å; F295-L298 PolarHBondContact O-N 2.93Å; P296-L298 VanDerWaalsContact C-N 3.27Å; P296-L298 PolarHBondContact O-N 2.95Å; L298-S308 WeakPolarHBondContact O-CA 3.36Å; L298-I309 HydrophobicContact CB-CD1 3.58Å; L298-I309 HydrophobicContact CB-CG1 3.81Å; L298-I309 HydrophobicContact CB-CG2 4.37Å; L298-I309 HydrophobicContact CD1-CD1 3.71Å; L298-I309 HydrophobicContact CG-CD1 4.32Å; L298-I309 PolarHBondContact O-N 3.17Å
299T83.1Confident82.6Confident95 Ų9571.5 Ų71.558%0.58338%0.384SS*.EExtended strand (participates in β ladder)trans-116.8150179.753.70000111.3E307T299-E307 CarbonylContact C-O 3.56Å; T299-E307 VanDerWaalsContact CA-O 3.24Å; T299-E307 WeakPolarHBondContact CA-O 3.39Å
300M80.9Confident82.8Confident32 Ų3269.6 Ų69.616%0.15837%0.369CS..EExtended strand (participates in β ladder)trans-126.8151.3173.758.9-171.1-96.100109.2L165 V302 T306 E307 I309 R312L165-M300 HydrophobicContact CD2-CE 3.71Å; L165-M300 HydrophobicContact CD2-SD 4.36Å; M300-V302 HydrophobicContact CE-CG2 3.07Å; M300-V302 HydrophobicContact CG-CG2 4.32Å; M300-T306 WeakPolarHBondContact O-CA 3.37Å; M300-E307 WeakPolarHBondContact CG-O 3.43Å; M300-E307 PolarHBondContact N-O 2.88Å; M300-E307 PolarHBondContact O-N 3.3Å; M300-I309 HydrophobicContact CB-CG2 4.34Å; M300-I309 HydrophobicContact CG-CG2 4.24Å; M300-I309 HydrophobicContact SD-CG2 4.07Å; M300-R312 HydrophobicContact SD-CG 4.32Å; M300-R312 PolarHBondContact SD-NE 3.36Å
301E77.8Confident83.1Confident138 Ų13868.1 Ų68.165%0.64536%0.361SS*.EExtended strand (participates in β ladder)trans-97.7118175-166.8176.7167.400109.1K305E301-K305 WeakPolarHBondContact CA-O 3.25Å
302V76.3Confident83.5Confident49 Ų4968.6 Ų68.630%0.29736%0.362SS..EExtended strand (participates in β ladder)trans-127.6128.1173.1-177.80000108.2L165 M300 G304 K305L165-V302 HydrophobicContact CD2-CB 4.36Å; L165-V302 HydrophobicContact CD2-CG2 3.93Å; M300-V302 HydrophobicContact CE-CG2 3.07Å; M300-V302 HydrophobicContact CG-CG2 4.32Å; V302-G304 PolarHBondContact O-N 3.07Å; V302-G304 VanDerWaalsContact O-N 3.11Å; V302-K305 PolarHBondContact N-O 2.62Å; V302-K305 PolarHBondContact O-N 2.7Å
303D75.8Confident83.9Confident160 Ų16066 Ų6686%0.85635%0.348SS*.THydrogen-bonded Turntrans51.136.1-179.9-57-33.1000113.3K305D303-K305 VanDerWaalsContact C-N 3.28Å; D303-K305 PolarHBondContact O-N 2.94Å
304G72.6Confident84.3Confident61 Ų6159 Ų5963%0.62932%0.322SS*.THydrogen-bonded Turntrans74.510-179.300000115.2V302V302-G304 PolarHBondContact O-N 3.07Å; V302-G304 VanDerWaalsContact O-N 3.11Å
305K81.6Confident84.8Confident145 Ų14557.5 Ų57.563%0.6331%0.314SS*.EExtended strand (participates in β ladder)trans-111.7136.1173.7-68.1-178.4-178.6176.40110.8E301 V302 D303E301-K305 WeakPolarHBondContact CA-O 3.25Å; V302-K305 PolarHBondContact N-O 2.62Å; V302-K305 PolarHBondContact O-N 2.7Å; D303-K305 VanDerWaalsContact C-N 3.28Å; D303-K305 PolarHBondContact O-N 2.94Å
306T83.3Confident85.4Confident106 Ų10657.5 Ų57.565%0.6531%0.314SS*.EExtended strand (participates in β ladder)trans-83.4119.7172.847.50000110M300M300-T306 WeakPolarHBondContact O-CA 3.37Å
307E85.5Confident85.8Confident35 Ų3554.5 Ų54.516%0.16430%0.295CS..EExtended strand (participates in β ladder)trans-130.5148.2-177.3-73.2-73.1-166.200110.8S164 L165 T299 M300 K311S164-E307 VanDerWaalsContact CB-OE1 3.24Å; S164-E307 WeakPolarHBondContact CB-OE1 3.45Å; S164-E307 PolarHBondContact OG-OE1 3.17Å; S164-E307 PolarHBondContact OG-OE2 3.36Å; L165-E307 HydrophobicContact CD1-CB 3.66Å; L165-E307 HydrophobicContact CD1-CG 3.84Å; L165-E307 HydrophobicContact CD2-CB 4.21Å; L165-E307 HydrophobicContact CG-CB 4.3Å; L165-E307 HydrophobicContact CG-CG 4.34Å; T299-E307 CarbonylContact C-O 3.56Å; T299-E307 VanDerWaalsContact CA-O 3.24Å; T299-E307 WeakPolarHBondContact CA-O 3.39Å; M300-E307 WeakPolarHBondContact CG-O 3.43Å; M300-E307 PolarHBondContact N-O 2.88Å; M300-E307 PolarHBondContact O-N 3.3Å; E307-K311 IonicContact OE1-NZ 2.77Å; E307-K311 WeakPolarHBondContact OE2-CD 3.14Å; E307-K311 WeakPolarHBondContact OE2-CE 3.44Å; E307-K311 IonicContact OE2-NZ 3.25Å; E307-K311 PolarHBondContact OE2-NZ 3.47Å
308S89.8Confident86.2Confident26 Ų2647.7 Ų47.718%0.18226%0.263CS..EExtended strand (participates in β ladder)trans-73.2139.3178.1177.70000111.1P296 L298 M310 K311P296-S308 PolarHBondContact O-OG 3.44Å; L298-S308 WeakPolarHBondContact O-CA 3.36Å; S308-M310 PolarHBondContact O-N 2.79Å; S308-M310 PolarHBondContact OG-N 3.22Å; S308-K311 PolarHBondContact O-N 3.17Å
309I88.7Confident86.7Confident2 Ų247.3 Ų47.31%0.0126%0.262CS..G310 helixtrans-63.4-22.6177.165.9168.8000112.5K269 F295 L298 M300 K311 R312 T313K269-I309 HydrophobicContact CG-CD1 4.27Å; F295-I309 HydrophobicContact CB-CD1 4.35Å; F295-I309 HydrophobicContact CD2-CD1 4.06Å; F295-I309 HydrophobicContact CG-CD1 4.1Å; F295-I309 WeakPolarHBondContact O-CG1 3.41Å; L298-I309 HydrophobicContact CB-CD1 3.58Å; L298-I309 HydrophobicContact CB-CG1 3.81Å; L298-I309 HydrophobicContact CB-CG2 4.37Å; L298-I309 HydrophobicContact CD1-CD1 3.71Å; L298-I309 HydrophobicContact CG-CD1 4.32Å; L298-I309 PolarHBondContact O-N 3.17Å; M300-I309 HydrophobicContact CB-CG2 4.34Å; M300-I309 HydrophobicContact CG-CG2 4.24Å; M300-I309 HydrophobicContact SD-CG2 4.07Å; I309-K311 PolarHBondContact O-N 3.13Å; I309-R312 WeakPolarHBondContact O-CG 3.39Å; I309-R312 PolarHBondContact O-N 2.96Å; I309-R312 VanDerWaalsContact O-N 3.16Å; I309-T313 WeakPolarHBondContact O-CB 3.3Å; I309-T313 PolarHBondContact O-N 3.23Å; I309-T313 PolarHBondContact O-OG1 2.87Å
310M89.1Confident86.9Confident25 Ų2545.6 Ų45.612%0.12325%0.254CS..G310 helixtrans-62.6-29179.6-164.863.7-163.400111.6G100 I102 F295 S308 R312 T313 L315G100-M310 VanDerWaalsContact CA-O 3.27Å; G100-M310 WeakPolarHBondContact CA-O 3.41Å; G100-M310 PolarHBondContact N-O 3.47Å; G100-M310 WeakPolarHBondContact O-CE 3.44Å; I102-M310 HydrophobicContact CG1-CE 4Å; F295-M310 HydrophobicContact CB-SD 4.31Å; S308-M310 PolarHBondContact O-N 2.79Å; S308-M310 PolarHBondContact OG-N 3.22Å; M310-R312 PolarHBondContact O-N 3.44Å; M310-T313 PolarHBondContact O-N 3.42Å; M310-T313 VanDerWaalsContact O-O 3.05Å; M310-L315 HydrophobicContact CE-CD1 3.83Å; M310-L315 HydrophobicContact CE-CG 4.01Å; M310-L315 HydrophobicContact SD-CD1 4.14Å
311K90.6Very high87.2Confident69 Ų6950.4 Ų50.430%0.328%0.28SS..G310 helixtrans-67.5-16.9178.2-71.5-177174.3179.40114.6N163 S164 L165 E307 S308 I309N163-K311 HydrophobicContact CB-CB 4.23Å; N163-K311 PolarHBondContact ND2-O 2.85Å; S164-K311 PolarHBondContact OG-NZ 3.08Å; L165-K311 HydrophobicContact CD1-CB 3.77Å; L165-K311 HydrophobicContact CD1-CD 3.88Å; E307-K311 IonicContact OE1-NZ 2.77Å; E307-K311 WeakPolarHBondContact OE2-CD 3.14Å; E307-K311 WeakPolarHBondContact OE2-CE 3.44Å; E307-K311 IonicContact OE2-NZ 3.25Å; E307-K311 PolarHBondContact OE2-NZ 3.47Å; S308-K311 PolarHBondContact O-N 3.17Å; I309-K311 PolarHBondContact O-N 3.13Å
312R92.1Very high87.7Confident16 Ų1645.4 Ų45.46%0.0626%0.258CS..G310 helixtrans-115.88.3175.769.1164-174.7-178.8-5.2113.2I166 S268 K269 S273 D274 V275 I276 M300 I309 M310I166-R312 HydrophobicContact CD1-CB 4.24Å; I166-R312 HydrophobicContact CG1-CB 4.25Å; S268-R312 PolarHBondContact O-NH2 2.89Å; K269-R312 PolarHBondContact O-NH2 3.27Å; S273-R312 PolarHBondContact O-NH1 3.37Å; D274-R312 WeakPolarHBondContact O-CD 3.38Å; V275-R312 WeakPolarHBondContact CA-O 3.18Å; I276-R312 PolarHBondContact N-O 3.13Å; M300-R312 HydrophobicContact SD-CG 4.32Å; M300-R312 PolarHBondContact SD-NE 3.36Å; I309-R312 WeakPolarHBondContact O-CG 3.39Å; I309-R312 PolarHBondContact O-N 2.96Å; I309-R312 VanDerWaalsContact O-N 3.16Å; M310-R312 PolarHBondContact O-N 3.44Å
313T93.1Very high88.2Confident0 Ų044.9 Ų44.90%026%0.255CS..EExtended strand (participates in β ladder)trans-120.5136.3-174.7-53.20000110.1G100 I276 F295 I309 M310 L315G100-T313 PolarHBondContact N-O 2.92Å; I276-T313 HydrophobicContact CB-CG2 4.11Å; I276-T313 HydrophobicContact CG2-CG2 4.21Å; I276-T313 VanDerWaalsContact O-CA 3.25Å; I276-T313 WeakPolarHBondContact O-CA 3.32Å; F295-T313 HydrophobicContact CD2-CG2 4.15Å; F295-T313 HydrophobicContact CE2-CG2 4.05Å; I309-T313 WeakPolarHBondContact O-CB 3.3Å; I309-T313 PolarHBondContact O-N 3.23Å; I309-T313 PolarHBondContact O-OG1 2.87Å; M310-T313 PolarHBondContact O-N 3.42Å; M310-T313 VanDerWaalsContact O-O 3.05Å; T313-L315 HydrophobicContact CG2-CD2 3.7Å; T313-L315 HydrophobicContact CG2-CG 4.41Å
314A94.7Very high88.8Confident0 Ų038.4 Ų38.40%022%0.221CC..EExtended strand (participates in β ladder)trans-116.2139.6165.600000109.8I98 I276 I277 Y278I98-A314 HydrophobicContact CG2-CB 3.99Å; I276-A314 PolarHBondContact O-N 2.83Å; I277-A314 HydrophobicContact CD1-CB 3.72Å; Y278-A314 PolarHBondContact N-O 3.27Å
315L94.1Very high89.5Confident0 Ų035.5 Ų35.50%019%0.192CC..EExtended strand (participates in β ladder)trans-114.3129.8-175.4-56.7-178.9000109.7S101 I102 F103 Y278 V291 L292 F295 M310 T313S101-L315 PolarHBondContact O-N 3.19Å; I102-L315 WeakPolarHBondContact CA-O 3.39Å; I102-L315 HydrophobicContact CG1-CB 4.34Å; I102-L315 HydrophobicContact CG1-CD1 4.29Å; I102-L315 HydrophobicContact CG2-CB 4.31Å; F103-L315 PolarHBondContact N-O 2.96Å; Y278-L315 HydrophobicContact CD1-CD2 4.23Å; Y278-L315 HydrophobicContact CG-CD2 4.19Å; Y278-L315 WeakPolarHBondContact O-CA 3.44Å; V291-L315 HydrophobicContact CG1-CD1 4.43Å; L292-L315 HydrophobicContact CD2-CD1 3.46Å; L292-L315 VanDerWaalsContact CD2-CD1 3.46Å; F295-L315 HydrophobicContact CD2-CD2 4.16Å; F295-L315 HydrophobicContact CE2-CD2 4.01Å; M310-L315 HydrophobicContact CE-CD1 3.83Å; M310-L315 HydrophobicContact CE-CG 4.01Å; M310-L315 HydrophobicContact SD-CD1 4.14Å; T313-L315 HydrophobicContact CG2-CD2 3.7Å; T313-L315 HydrophobicContact CG2-CG 4.41Å
316V95.3Very high89.8Confident0 Ų029 Ų290%016%0.164CC..EExtended strand (participates in β ladder)trans-110.8105.2169.3-176.20000107.3F103 Y278 V279 G280 T333 L337F103-V316 CarbonylContact O-C 3.57Å; F103-V316 WeakPolarHBondContact O-CA 3.37Å; Y278-V316 PolarHBondContact O-N 2.97Å; V279-V316 CarbonylContact C-O 3.53Å; V279-V316 WeakPolarHBondContact CA-O 3.36Å; V279-V316 HydrophobicContact CB-CB 4.44Å; V279-V316 HydrophobicContact CG1-CB 4.19Å; V279-V316 HydrophobicContact CG1-CG1 4.31Å; V279-V316 HydrophobicContact CG2-CB 4.15Å; V279-V316 HydrophobicContact CG2-CG2 4.34Å; G280-V316 PolarHBondContact N-O 2.87Å; V316-T333 HydrophobicContact CG2-CG2 4.47Å; V316-L337 HydrophobicContact CG2-CD1 4.14Å
317A92.8Very high90.2Very high4 Ų425.2 Ų25.23%0.03314%0.138CC..EExtended strand (participates in β ladder)trans-100.7108.4-174.500000110.4I102 F103 L110 M288I102-A317 HydrophobicContact CG2-CB 4.19Å; F103-A317 PolarHBondContact O-N 3.37Å; L110-A317 HydrophobicContact CD1-CB 4.08Å; M288-A317 HydrophobicContact CE-CB 3.65Å
318N92.3Very high90.5Very high0 Ų024 Ų240%013%0.133CC..EExtended strand (participates in β ladder)trans-122.4102.7169-169.791.1000110.4G280 G282 M322 A326 R327G280-N318 CarbonylContact O-C 3.39Å; G280-N318 WeakPolarHBondContact O-CA 3.49Å; G280-N318 VanDerWaalsContact O-CB 3.31Å; G280-N318 WeakPolarHBondContact O-CB 3.49Å; G280-N318 PolarHBondContact O-N 2.69Å; G280-N318 VanDerWaalsContact O-O 3.07Å; G282-N318 PolarHBondContact N-O 2.87Å; N318-M322 HydrophobicContact CB-SD 4.36Å; N318-M322 WeakPolarHBondContact OD1-CB 3.22Å; N318-A326 VanDerWaalsContact OD1-CB 3.28Å; N318-A326 WeakPolarHBondContact OD1-CB 3.24Å; N318-R327 WeakPolarHBondContact ND2-CG 3.45Å
319T91.3Very high90.6Very high30 Ų3022.8 Ų22.818%0.18412%0.124CC..EExtended strand (participates in β ladder)trans-75.4165.1-17866.30000112E283 N321 M322E283-T319 CarbonylContact O-C 3.55Å; E283-T319 WeakPolarHBondContact O-CA 3.49Å; T319-N321 PolarHBondContact O-N 2.96Å; T319-M322 WeakPolarHBondContact O-CB 3.37Å; T319-M322 PolarHBondContact O-N 2.84Å
320S87.1Confident90.9Very high59 Ų5922.7 Ų22.741%0.41312%0.124SC..THydrogen-bonded Turntrans-60.6-25.4174.159.20000113.9E283 M322 R327E283-S320 PolarHBondContact O-N 3.07Å; S320-M322 VanDerWaalsContact C-N 3.33Å; S320-R327 PolarHBondContact O-NH2 3.38Å
321N86.9Confident91.2Very high133 Ų13321.5 Ų21.571%0.71112%0.118SC*.THydrogen-bonded Turntrans-80.3-14.4176-164.139.6000113T319T319-N321 PolarHBondContact O-N 2.96Å
322M88.1Confident91.4Very high34 Ų3418.6 Ų18.617%0.16711%0.105CC..SBendtrans-76.5154.7175.3-71.3179.7-179.900111.2I122 N318 T319 S320I122-M322 HydrophobicContact CD1-CE 3.79Å; N318-M322 HydrophobicContact CB-SD 4.36Å; N318-M322 WeakPolarHBondContact OD1-CB 3.22Å; T319-M322 WeakPolarHBondContact O-CB 3.37Å; T319-M322 PolarHBondContact O-N 2.84Å; S320-M322 VanDerWaalsContact C-N 3.33Å
323P87.9Confident91.6Very high38 Ų3817.9 Ų17.925%0.24710%0.102CC..  trans-52.9145.6-177.4-3038000113.9Y68 A325 A326 R327Y68-P323 VanDerWaalsContact O-CB 3.27Å; Y68-P323 WeakPolarHBondContact O-CB 3.45Å; Y68-P323 VanDerWaalsContact O-CG 3.23Å; Y68-P323 WeakPolarHBondContact O-CG 3.3Å; P323-A325 VanDerWaalsContact C-N 3.29Å; P323-A325 PolarHBondContact O-N 3.19Å; P323-A326 HydrophobicContact CB-CB 4.5Å; P323-A326 WeakPolarHBondContact O-CB 3.34Å; P323-A326 PolarHBondContact O-N 2.79Å; P323-A326 VanDerWaalsContact O-N 3.08Å; P323-R327 PolarHBondContact O-N 3.29Å
324V87.6Confident91.8Very high23 Ų2317.9 Ų17.914%0.13910%0.102CC..Hα-helixtrans-61.9-39.2-175.1179.40000111.5A326 R327 A361 E364 I365V324-A326 VanDerWaalsContact C-N 3.29Å; V324-A326 PolarHBondContact O-N 2.88Å; V324-R327 VanDerWaalsContact O-CB 3.27Å; V324-R327 WeakPolarHBondContact O-CB 3.24Å; V324-R327 PolarHBondContact O-N 3.18Å; V324-A361 VanDerWaalsContact CG1-CA 3.47Å; V324-A361 HydrophobicContact CG1-CB 3.44Å; V324-A361 VanDerWaalsContact CG1-CB 3.44Å; V324-E364 HydrophobicContact CG1-CB 4.24Å; V324-E364 VanDerWaalsContact CG2-OE2 3.31Å; V324-E364 WeakPolarHBondContact CG2-OE2 3.42Å; V324-I365 HydrophobicContact CG1-CG1 4.5Å
325A87.3Confident91.9Very high1 Ų117.9 Ų17.91%0.00810%0.102CC..Hα-helixtrans-63.7-34.3177.300000112.6Q66 Y68 P323 R327 E328 A329Q66-A325 HydrophobicContact CG-CB 3.75Å; Y68-A325 VanDerWaalsContact CD1-C 3.46Å; Y68-A325 HydrophobicContact CD1-CB 3.32Å; Y68-A325 HydrophobicContact CE1-CB 3.76Å; Y68-A325 WeakPolarHBondContact CE1-O 3.38Å; Y68-A325 HydrophobicContact CG-CB 4.32Å; P323-A325 VanDerWaalsContact C-N 3.29Å; P323-A325 PolarHBondContact O-N 3.19Å; A325-R327 PolarHBondContact O-N 3.4Å; A325-E328 PolarHBondContact O-N 2.83Å; A325-A329 PolarHBondContact O-N 2.88Å
326A88.7Confident92.1Very high7 Ų717.9 Ų17.96%0.05810%0.102CC..Hα-helixtrans-68.7-23.4178.300000112.5N318 P323 V324 A329 S330N318-A326 VanDerWaalsContact OD1-CB 3.28Å; N318-A326 WeakPolarHBondContact OD1-CB 3.24Å; P323-A326 HydrophobicContact CB-CB 4.5Å; P323-A326 WeakPolarHBondContact O-CB 3.34Å; P323-A326 PolarHBondContact O-N 2.79Å; P323-A326 VanDerWaalsContact O-N 3.08Å; V324-A326 VanDerWaalsContact C-N 3.29Å; V324-A326 PolarHBondContact O-N 2.88Å; A326-A329 PolarHBondContact O-N 2.98Å; A326-S330 WeakPolarHBondContact O-CB 3.24Å; A326-S330 PolarHBondContact O-N 3.05Å
327R91.4Very high92.1Very high28 Ų2817.9 Ų17.911%0.10610%0.102CC..Hα-helixtrans-65.3-39.7171.9-63.2173.5-173.2-176.76.8112.2N318 S320 P323 V324 A325 S330 A361N318-R327 WeakPolarHBondContact ND2-CG 3.45Å; S320-R327 PolarHBondContact O-NH2 3.38Å; P323-R327 PolarHBondContact O-N 3.29Å; V324-R327 VanDerWaalsContact O-CB 3.27Å; V324-R327 WeakPolarHBondContact O-CB 3.24Å; V324-R327 PolarHBondContact O-N 3.18Å; A325-R327 PolarHBondContact O-N 3.4Å; R327-S330 PolarHBondContact O-OG 3.37Å; R327-A361 HydrophobicContact CB-CB 4.11Å
328E91Very high92.4Very high9 Ų917.7 Ų17.74%0.04210%0.101CC..Hα-helixtrans-68.7-45.4174.4175.9178.9-17900110.7R216 A325 S330 I331 Y332 L362R216-E328 IonicContact CZ-OE1 3.62Å; R216-E328 IonicContact NH1-OE1 2.7Å; R216-E328 PolarHBondContact NH1-OE1 3.37Å; R216-E328 IonicContact NH2-OE1 3.83Å; R216-E328 PolarHBondContact NH2-OE1 3.1Å; A325-E328 PolarHBondContact O-N 2.83Å; E328-S330 VanDerWaalsContact C-N 3.32Å; E328-S330 PolarHBondContact O-N 3.27Å; E328-I331 PolarHBondContact O-N 2.87Å; E328-Y332 HydrophobicContact CG-CD2 3.98Å; E328-Y332 HydrophobicContact CG-CE2 3.52Å; E328-Y332 WeakPolarHBondContact O-CD2 3.47Å; E328-Y332 WeakPolarHBondContact OE1-CE2 3.49Å; E328-L362 HydrophobicContact CG-CD2 4.44Å
329A91.9Very high92.6Very high1 Ų117.7 Ų17.71%0.00810%0.101CC..Hα-helixtrans-60.8-39.3179.100000112.5Y68 L90 G105 I106 A325 A326 I331 Y332 T333Y68-A329 HydrophobicContact CD1-CB 4.5Å; Y68-A329 HydrophobicContact CE1-CB 4.13Å; L90-A329 HydrophobicContact CD2-CB 3.9Å; G105-A329 CarbonylContact O-C 3.51Å; G105-A329 WeakPolarHBondContact O-CB 3.5Å; I106-A329 HydrophobicContact CG2-CB 4.31Å; A325-A329 PolarHBondContact O-N 2.88Å; A326-A329 PolarHBondContact O-N 2.98Å; A329-I331 VanDerWaalsContact C-N 3.34Å; A329-I331 PolarHBondContact O-N 3.5Å; A329-Y332 PolarHBondContact O-N 2.92Å; A329-Y332 VanDerWaalsContact O-N 3.17Å; A329-T333 WeakPolarHBondContact O-CB 3.36Å; A329-T333 PolarHBondContact O-N 2.84Å; A329-T333 PolarHBondContact O-OG1 3.25Å; A329-T333 VanDerWaalsContact O-OG1 3.04Å
330S94.9Very high92.8Very high0 Ų016.2 Ų16.20%09%0.092CC..Hα-helixtrans-60.9-39.8-176.471.20000113.2G105 A326 R327 E328 T333 G334G105-S330 PolarHBondContact O-N 3.3Å; A326-S330 WeakPolarHBondContact O-CB 3.24Å; A326-S330 PolarHBondContact O-N 3.05Å; R327-S330 PolarHBondContact O-OG 3.37Å; E328-S330 VanDerWaalsContact C-N 3.32Å; E328-S330 PolarHBondContact O-N 3.27Å; S330-T333 PolarHBondContact O-N 3.49Å; S330-G334 PolarHBondContact O-N 3.02Å
331I95.9Very high93.3Very high0 Ų013.4 Ų13.40%07%0.072CC..Hα-helixtrans-64-46.2176.7-64.3-67000110.3V279 C281 E328 A329 G334 I335 A352 W358 F389V279-I331 HydrophobicContact CG1-CD1 4.01Å; C281-I331 HydrophobicContact CB-CD1 3.93Å; C281-I331 HydrophobicContact CB-CG1 4.31Å; E328-I331 PolarHBondContact O-N 2.87Å; A329-I331 VanDerWaalsContact C-N 3.34Å; A329-I331 PolarHBondContact O-N 3.5Å; I331-G334 PolarHBondContact O-N 2.95Å; I331-I335 WeakPolarHBondContact O-CG2 3.46Å; I331-I335 PolarHBondContact O-N 3.25Å; I331-A352 HydrophobicContact CD1-CB 4.02Å; I331-W358 HydrophobicContact CG1-CB 4.27Å; I331-W358 HydrophobicContact CG1-CD2 4.31Å; I331-W358 HydrophobicContact CG1-CG 4.15Å; I331-W358 HydrophobicContact CG2-CE3 4.45Å; I331-W358 HydrophobicContact CG2-CZ3 4.47Å; I331-F389 HydrophobicContact CG2-CD2 3.54Å; I331-F389 HydrophobicContact CG2-CE2 3.43Å; I331-F389 VanDerWaalsContact CG2-CE2 3.43Å; I331-F389 HydrophobicContact CG2-CG 4.21Å; I331-F389 HydrophobicContact CG2-CZ 4.02Å
332Y96Very high93.8Very high8 Ų87.4 Ų7.43%0.0314%0.04CC..Hα-helixtrans-68-36.4178.7-66.8-59.6000113.1E328 A329 I335 T336 W358 R385E328-Y332 HydrophobicContact CG-CD2 3.98Å; E328-Y332 HydrophobicContact CG-CE2 3.52Å; E328-Y332 WeakPolarHBondContact O-CD2 3.47Å; E328-Y332 WeakPolarHBondContact OE1-CE2 3.49Å; A329-Y332 PolarHBondContact O-N 2.92Å; A329-Y332 VanDerWaalsContact O-N 3.17Å; Y332-I335 VanDerWaalsContact O-CG2 3.23Å; Y332-I335 WeakPolarHBondContact O-CG2 3.45Å; Y332-T336 WeakPolarHBondContact O-CB 3.41Å; Y332-T336 PolarHBondContact O-N 3.13Å; Y332-T336 VanDerWaalsContact O-N 3.11Å; Y332-T336 PolarHBondContact O-OG1 3.08Å; Y332-W358 HydrophobicContact CE2-CZ2 4.48Å; Y332-R385 WeakPolarHBondContact OH-CD 3.38Å
333T96.1Very high94.1Very high0 Ų06.2 Ų6.20%03%0.034CC..Hα-helixtrans-61-52.3172.9-65.20000110V92 G105 Q107 V316 A329 S330 I335 T336 L337V92-T333 HydrophobicContact CG1-CG2 3.89Å; G105-T333 PolarHBondContact O-OG1 2.97Å; Q107-T333 HydrophobicContact CB-CG2 4.19Å; Q107-T333 HydrophobicContact CG-CG2 4.28Å; V316-T333 HydrophobicContact CG2-CG2 4.47Å; A329-T333 WeakPolarHBondContact O-CB 3.36Å; A329-T333 PolarHBondContact O-N 2.84Å; A329-T333 PolarHBondContact O-OG1 3.25Å; A329-T333 VanDerWaalsContact O-OG1 3.04Å; S330-T333 PolarHBondContact O-N 3.49Å; T333-I335 PolarHBondContact O-N 3.01Å; T333-T336 PolarHBondContact O-N 3.13Å; T333-L337 HydrophobicContact CG2-CD1 4.29Å; T333-L337 WeakPolarHBondContact O-CG 3.14Å; T333-L337 PolarHBondContact O-N 2.88Å
334G96.3Very high94.5Very high0 Ų04.4 Ų4.40%02%0.022CC..Hα-helixtrans-63.6-40.2-178.400000114.5S330 I331 T336 L337 S338S330-G334 PolarHBondContact O-N 3.02Å; I331-G334 PolarHBondContact O-N 2.95Å; G334-T336 VanDerWaalsContact C-N 3.31Å; G334-T336 PolarHBondContact O-N 3.03Å; G334-L337 PolarHBondContact O-N 3.18Å; G334-S338 WeakPolarHBondContact O-CB 3.34Å; G334-S338 PolarHBondContact O-N 3.03Å; G334-S338 PolarHBondContact O-OG 3Å
335I97.3Very high94.8Very high0 Ų04.3 Ų4.30%03%0.025CC..Hα-helixtrans-67.8-33.9175.6-171.462.2000111.7I331 Y332 T333 S338 E339 M350 F389 R392 V408 I410I331-I335 WeakPolarHBondContact O-CG2 3.46Å; I331-I335 PolarHBondContact O-N 3.25Å; Y332-I335 VanDerWaalsContact O-CG2 3.23Å; Y332-I335 WeakPolarHBondContact O-CG2 3.45Å; T333-I335 PolarHBondContact O-N 3.01Å; I335-S338 WeakPolarHBondContact O-CB 3.38Å; I335-S338 PolarHBondContact O-N 3.43Å; I335-E339 WeakPolarHBondContact O-CG 3.5Å; I335-E339 PolarHBondContact O-N 3.45Å; I335-M350 HydrophobicContact CB-CE 4.13Å; I335-M350 HydrophobicContact CB-SD 3.79Å; I335-M350 HydrophobicContact CD1-SD 3.64Å; I335-M350 HydrophobicContact CG1-SD 4.31Å; I335-F389 HydrophobicContact CB-CD2 4.37Å; I335-F389 HydrophobicContact CB-CE2 4.05Å; I335-F389 HydrophobicContact CD1-CE2 4.49Å; I335-F389 HydrophobicContact CG1-CE2 4.38Å; I335-F389 HydrophobicContact CG2-CD2 4.5Å; I335-R392 HydrophobicContact CD1-CB 4.08Å; I335-R392 HydrophobicContact CG1-CB 3.88Å; I335-R392 VanDerWaalsContact CG2-CZ 3.44Å; I335-R392 VanDerWaalsContact CG2-NH1 3.26Å; I335-V408 HydrophobicContact CD1-CG1 4.11Å; I335-I410 HydrophobicContact CD1-CD1 3.64Å; I335-I410 HydrophobicContact CD1-CG1 4.16Å
336T97.1Very high95.2Very high0 Ų05.6 Ų5.60%03%0.03CC..Hα-helixtrans-69.8-38.9177.7-57.10000111.6V92 W213 V215 Y332 T333 G334 S338 E339 Y340 R392V92-T336 HydrophobicContact CG2-CG2 3.54Å; W213-T336 HydrophobicContact CG-CG2 4.42Å; V215-T336 WeakPolarHBondContact CA-OG1 3.34Å; V215-T336 PolarHBondContact O-OG1 3.07Å; Y332-T336 WeakPolarHBondContact O-CB 3.41Å; Y332-T336 PolarHBondContact O-N 3.13Å; Y332-T336 VanDerWaalsContact O-N 3.11Å; Y332-T336 PolarHBondContact O-OG1 3.08Å; T333-T336 PolarHBondContact O-N 3.13Å; G334-T336 VanDerWaalsContact C-N 3.31Å; G334-T336 PolarHBondContact O-N 3.03Å; T336-S338 VanDerWaalsContact C-N 3.3Å; T336-E339 PolarHBondContact O-N 2.89Å; T336-Y340 WeakPolarHBondContact O-CB 3.46Å; T336-Y340 PolarHBondContact O-N 2.83Å; T336-R392 PolarHBondContact OG1-NH2 3.03Å
337L96.9Very high95.6Very high0 Ų07.4 Ų7.40%04%0.039CC..Hα-helixtrans-61.2-41169.4-65.8175.8000111.2L94 I98 I277 V316 T333 G334 Y340 F341L94-L337 HydrophobicContact CD2-CD2 3.72Å; I98-L337 HydrophobicContact CD1-CD2 3.99Å; I98-L337 HydrophobicContact CG2-CD2 4.23Å; I277-L337 HydrophobicContact CD1-CB 4.34Å; V316-L337 HydrophobicContact CG2-CD1 4.14Å; T333-L337 HydrophobicContact CG2-CD1 4.29Å; T333-L337 WeakPolarHBondContact O-CG 3.14Å; T333-L337 PolarHBondContact O-N 2.88Å; G334-L337 PolarHBondContact O-N 3.18Å; L337-Y340 WeakPolarHBondContact O-CB 3.28Å; L337-Y340 PolarHBondContact O-N 3.3Å; L337-F341 VanDerWaalsContact O-CD2 3.23Å; L337-F341 WeakPolarHBondContact O-CD2 3.44Å; L337-F341 PolarHBondContact O-N 3.47Å; L337-F341 VanDerWaalsContact O-N 3.15Å
338S97.5Very high95.9Very high0 Ų06 Ų60%03%0.034CC..Hα-helixtrans-64.5-45.5178.8-56.10000112I277 G334 I335 T336 Y340 F341 R342I277-S338 WeakPolarHBondContact CG1-OG 3.39Å; G334-S338 WeakPolarHBondContact O-CB 3.34Å; G334-S338 PolarHBondContact O-N 3.03Å; G334-S338 PolarHBondContact O-OG 3Å; I335-S338 WeakPolarHBondContact O-CB 3.38Å; I335-S338 PolarHBondContact O-N 3.43Å; T336-S338 VanDerWaalsContact C-N 3.3Å; S338-Y340 VanDerWaalsContact C-N 3.28Å; S338-Y340 PolarHBondContact O-N 2.68Å; S338-F341 PolarHBondContact O-N 2.72Å; S338-R342 WeakPolarHBondContact O-CB 3.16Å; S338-R342 PolarHBondContact O-N 2.71Å
339E97.1Very high96.2Very high0 Ų05.6 Ų5.60%03%0.032CC..Hα-helixtrans-64.3-32.7174.7-70.2-178.216200112.5R219 I335 T336 R342 D343 R392R219-E339 HydrophobicContact CB-CB 4.13Å; R219-E339 WeakPolarHBondContact CB-OE2 3.46Å; R219-E339 HydrophobicContact CG-CB 4.12Å; R219-E339 WeakPolarHBondContact CG-OE2 3.4Å; R219-E339 PolarHBondContact N-OE2 3Å; R219-E339 VanDerWaalsContact N-OE2 3.1Å; I335-E339 WeakPolarHBondContact O-CG 3.5Å; I335-E339 PolarHBondContact O-N 3.45Å; T336-E339 PolarHBondContact O-N 2.89Å; E339-R342 WeakPolarHBondContact O-CB 3.23Å; E339-R342 PolarHBondContact O-N 2.84Å; E339-D343 PolarHBondContact O-N 3.03Å; E339-R392 VanDerWaalsContact CD-NH2 3.26Å; E339-R392 WeakPolarHBondContact OE1-CB 3.48Å; E339-R392 WeakPolarHBondContact OE1-CG 3.33Å; E339-R392 IonicContact OE1-CZ 2.83Å; E339-R392 IonicContact OE1-NE 3.3Å; E339-R392 PolarHBondContact OE1-NE 3.29Å; E339-R392 IonicContact OE1-NH2 2.71Å; E339-R392 PolarHBondContact OE1-NH2 3.48Å; E339-R392 IonicContact OE2-CZ 3.95Å; E339-R392 IonicContact OE2-NE 3.19Å; E339-R392 IonicContact OE2-NH2 3.39Å; E339-R392 PolarHBondContact OE2-NH2 2.92Å
340Y96.9Very high96.4Very high0 Ų05.6 Ų5.60%03%0.031CC..Hα-helixtrans-64.4-47.4176.8175.9-119.1000112.2L94 I98 H168 M171 Q211 T336 L337 S338 R342 D343 M344L94-Y340 HydrophobicContact CB-CD1 4.03Å; L94-Y340 HydrophobicContact CB-CD2 3.89Å; L94-Y340 HydrophobicContact CB-CE1 4.01Å; L94-Y340 HydrophobicContact CB-CE2 3.9Å; L94-Y340 HydrophobicContact CB-CG 3.95Å; L94-Y340 HydrophobicContact CD1-CD2 3.79Å; L94-Y340 HydrophobicContact CD1-CE2 4.49Å; L94-Y340 HydrophobicContact CD1-CG 3.92Å; L94-Y340 HydrophobicContact CD2-CD1 4.08Å; L94-Y340 HydrophobicContact CD2-CG 3.92Å; L94-Y340 HydrophobicContact CG-CD2 4.3Å; L94-Y340 HydrophobicContact CG-CG 4.15Å; I98-Y340 HydrophobicContact CD1-CD1 4.47Å; I98-Y340 HydrophobicContact CD1-CE1 4.36Å; H168-Y340 AromaticContact CE1-CE1 3.69Å; H168-Y340 AromaticContact NE2-CE1 3.5Å; H168-Y340 WeakPolarHBondContact NE2-CE1 3.21Å; H168-Y340 AromaticContact NE2-CZ 3.52Å; H168-Y340 PolarHBondContact NE2-OH 3.11Å; M171-Y340 HydrophobicContact CE-CD2 4.02Å; M171-Y340 HydrophobicContact CE-CE2 3.68Å; Q211-Y340 VanDerWaalsContact NE2-CE2 3.35Å; T336-Y340 WeakPolarHBondContact O-CB 3.46Å; T336-Y340 PolarHBondContact O-N 2.83Å; L337-Y340 WeakPolarHBondContact O-CB 3.28Å; L337-Y340 PolarHBondContact O-N 3.3Å; S338-Y340 VanDerWaalsContact C-N 3.28Å; S338-Y340 PolarHBondContact O-N 2.68Å; Y340-R342 VanDerWaalsContact C-N 3.34Å; Y340-D343 PolarHBondContact O-N 2.79Å; Y340-M344 HydrophobicContact CD1-CE 3.86Å; Y340-M344 HydrophobicContact CD2-CE 4.43Å; Y340-M344 HydrophobicContact CE1-CE 3.2Å; Y340-M344 HydrophobicContact CE2-CE 3.85Å; Y340-M344 HydrophobicContact CG-CE 4.44Å; Y340-M344 WeakPolarHBondContact OH-CE 3.46Å
341F96.7Very high96.4Very high0 Ų05.6 Ų5.60%03%0.031CC..Hα-helixtrans-69.4-32.9176.4-73.3-65.1000112.5I98 M99 H168 V275 I277 L337 S338 D343 M344 Y346 V348I98-F341 HydrophobicContact CB-CZ 4.13Å; I98-F341 HydrophobicContact CG2-CE2 3.82Å; I98-F341 HydrophobicContact CG2-CZ 3.92Å; M99-F341 HydrophobicContact CE-CD1 3.51Å; M99-F341 HydrophobicContact CE-CD2 4.06Å; M99-F341 HydrophobicContact CE-CE1 3.12Å; M99-F341 HydrophobicContact CE-CE2 3.69Å; M99-F341 HydrophobicContact CE-CG 3.98Å; M99-F341 HydrophobicContact CE-CZ 3.2Å; M99-F341 HydrophobicContact CG-CZ 4.21Å; M99-F341 HydrophobicContact SD-CE1 4.32Å; M99-F341 HydrophobicContact SD-CE2 4.23Å; M99-F341 HydrophobicContact SD-CZ 3.87Å; H168-F341 AromaticContact CE1-CE1 3.99Å; V275-F341 HydrophobicContact CG1-CB 4.33Å; V275-F341 HydrophobicContact CG1-CD2 4.01Å; V275-F341 HydrophobicContact CG1-CG 4.08Å; V275-F341 HydrophobicContact CG2-CB 4.48Å; V275-F341 HydrophobicContact CG2-CG 4.48Å; I277-F341 HydrophobicContact CD1-CD2 4.14Å; I277-F341 HydrophobicContact CD1-CE2 4.22Å; L337-F341 VanDerWaalsContact O-CD2 3.23Å; L337-F341 WeakPolarHBondContact O-CD2 3.44Å; L337-F341 PolarHBondContact O-N 3.47Å; L337-F341 VanDerWaalsContact O-N 3.15Å; S338-F341 PolarHBondContact O-N 2.72Å; F341-D343 VanDerWaalsContact C-N 3.32Å; F341-D343 PolarHBondContact O-N 2.82Å; F341-M344 HydrophobicContact CD1-CE 3.98Å; F341-M344 HydrophobicContact CD1-SD 3.9Å; F341-M344 HydrophobicContact CE1-CE 4.07Å; F341-M344 HydrophobicContact CE1-SD 4.32Å; F341-M344 WeakPolarHBondContact O-CB 3.47Å; F341-M344 PolarHBondContact O-N 2.87Å; F341-Y346 PolarHBondContact O-N 3.28Å; F341-V348 HydrophobicContact CB-CG2 3.6Å
342R96.6Very high96.3Very high7 Ų75.6 Ų5.63%0.0263%0.032CC..Hα-helixtrans-57.3-44.4170.8-179.9-157.366.8-165.6-2.7111.9S338 E339 Y340 M344 G345 V348 V396 C398 V408S338-R342 WeakPolarHBondContact O-CB 3.16Å; S338-R342 PolarHBondContact O-N 2.71Å; E339-R342 WeakPolarHBondContact O-CB 3.23Å; E339-R342 PolarHBondContact O-N 2.84Å; Y340-R342 VanDerWaalsContact C-N 3.34Å; R342-M344 PolarHBondContact O-N 2.86Å; R342-G345 WeakPolarHBondContact O-CA 3.47Å; R342-G345 PolarHBondContact O-N 3.49Å; R342-V348 HydrophobicContact CB-CG2 4.41Å; R342-V396 HydrophobicContact CG-CG2 4.07Å; R342-C398 PolarHBondContact O-SG 2.93Å; R342-V408 HydrophobicContact CB-CG2 3.52Å; R342-V408 HydrophobicContact CG-CG2 3.79Å
343D95.8Very high96.1Very high9 Ų95.3 Ų5.35%0.0483%0.031CC..Hα-helixtrans-64.7-20.7-178.7-67.7-5.9000112.8M171 R219 E339 Y340 F341 G345 R404M171-D343 HydrophobicContact CE-CB 3.92Å; M171-D343 HydrophobicContact SD-CB 4.07Å; M171-D343 VanDerWaalsContact SD-O 3.35Å; R219-D343 IonicContact CZ-OD2 2.64Å; R219-D343 IonicContact NE-OD2 2.9Å; R219-D343 PolarHBondContact NE-OD2 3.18Å; R219-D343 IonicContact NH2-OD2 3.14Å; R219-D343 PolarHBondContact NH2-OD2 3.14Å; E339-D343 PolarHBondContact O-N 3.03Å; Y340-D343 PolarHBondContact O-N 2.79Å; F341-D343 VanDerWaalsContact C-N 3.32Å; F341-D343 PolarHBondContact O-N 2.82Å; D343-G345 PolarHBondContact O-N 2.88Å; D343-R404 PolarHBondContact O-NH1 3.09Å
344M95Very high95.9Very high0 Ų05.3 Ų5.30%03%0.031CC..THydrogen-bonded Turntrans-73.4-9.7170.4-58.9-177.1-168.800113H168 K169 M171 Y340 F341 R342 Y346H168-M344 WeakPolarHBondContact NE2-CE 3.23Å; K169-M344 HydrophobicContact CB-CB 4.31Å; K169-M344 HydrophobicContact CB-CG 4.2Å; K169-M344 HydrophobicContact CB-SD 4.42Å; K169-M344 HydrophobicContact CD-CB 4.29Å; K169-M344 WeakPolarHBondContact CD-O 3.43Å; K169-M344 WeakPolarHBondContact CE-O 3.43Å; K169-M344 PolarHBondContact NZ-O 2.99Å; M171-M344 HydrophobicContact CE-CE 4.24Å; M171-M344 HydrophobicContact CE-CG 3.53Å; M171-M344 HydrophobicContact SD-CG 4.14Å; Y340-M344 HydrophobicContact CD1-CE 3.86Å; Y340-M344 HydrophobicContact CD2-CE 4.43Å; Y340-M344 HydrophobicContact CE1-CE 3.2Å; Y340-M344 HydrophobicContact CE2-CE 3.85Å; Y340-M344 HydrophobicContact CG-CE 4.44Å; Y340-M344 WeakPolarHBondContact OH-CE 3.46Å; F341-M344 HydrophobicContact CD1-CE 3.98Å; F341-M344 HydrophobicContact CD1-SD 3.9Å; F341-M344 HydrophobicContact CE1-CE 4.07Å; F341-M344 HydrophobicContact CE1-SD 4.32Å; F341-M344 WeakPolarHBondContact O-CB 3.47Å; F341-M344 PolarHBondContact O-N 2.87Å; R342-M344 PolarHBondContact O-N 2.86Å; M344-Y346 HydrophobicContact CB-CD2 3.7Å; M344-Y346 HydrophobicContact CB-CE2 3.96Å; M344-Y346 HydrophobicContact SD-CD2 4.21Å; M344-Y346 HydrophobicContact SD-CE2 4.05Å
345G94.8Very high95.7Very high20 Ų205.3 Ų5.321%0.2063%0.031CC..THydrogen-bonded Turntrans84.829.2-173.500000113.4R342 D343 E405R342-G345 WeakPolarHBondContact O-CA 3.47Å; R342-G345 PolarHBondContact O-N 3.49Å; D343-G345 PolarHBondContact O-N 2.88Å; G345-E405 CarbonylContact C-O 3.59Å; G345-E405 WeakPolarHBondContact CA-O 3.35Å
346Y96.4Very high95.5Very high29 Ų295.4 Ų5.411%0.1143%0.032CC..  trans-95.1152.8171-70.9-60.2000111.1I166 K167 D274 V275 F341 M344 S407I166-Y346 HydrophobicContact CG2-CE2 4.39Å; K167-Y346 PolarHBondContact N-OH 3.41Å; K167-Y346 PolarHBondContact O-OH 2.94Å; D274-Y346 HydrophobicContact CB-CD1 3.7Å; D274-Y346 HydrophobicContact CB-CG 4.25Å; V275-Y346 HydrophobicContact CG2-CG 4.36Å; F341-Y346 PolarHBondContact O-N 3.28Å; M344-Y346 HydrophobicContact CB-CD2 3.7Å; M344-Y346 HydrophobicContact CB-CE2 3.96Å; M344-Y346 HydrophobicContact SD-CD2 4.21Å; M344-Y346 HydrophobicContact SD-CE2 4.05Å; Y346-S407 PolarHBondContact O-N 3.23Å
347N96.9Very high95.2Very high44 Ų448.4 Ų8.424%0.2354%0.043CC..EExtended strand (participates in β ladder)trans-88.6108.3168.8-64.4-51.3000109.1D274 V275 S407D274-N347 PolarHBondContact N-O 3.2Å; D274-N347 PolarHBondContact OD2-N 3.2Å; V275-N347 PolarHBondContact N-O 2.8Å; N347-S407 PolarHBondContact OD1-OG 2.97Å
348V97.3Very high95.1Very high0 Ų08.4 Ų8.40%04%0.043CC..EExtended strand (participates in β ladder)trans-104.1136.4-174.6-1700000109.8V275 I277 F341 R342 S407 V408 S409V275-V348 HydrophobicContact CB-CG1 4.33Å; V275-V348 HydrophobicContact CB-CG2 4.27Å; V275-V348 HydrophobicContact CG1-CG1 4.28Å; V275-V348 WeakPolarHBondContact O-CA 3.33Å; I277-V348 HydrophobicContact CG1-CG1 4.01Å; F341-V348 HydrophobicContact CB-CG2 3.6Å; R342-V348 HydrophobicContact CB-CG2 4.41Å; V348-S407 PolarHBondContact N-O 2.91Å; V348-V408 HydrophobicContact CB-CG2 4.34Å; V348-V408 CarbonylContact O-C 3.59Å; V348-V408 WeakPolarHBondContact O-CA 3.25Å; V348-S409 PolarHBondContact O-N 2.99Å
349S96.8Very high95Very high0 Ų08.4 Ų8.40%04%0.043CC..EExtended strand (participates in β ladder)trans-113.8119.8168.6-177.80000110V275 I276 I277V275-S349 PolarHBondContact O-N 2.94Å; I276-S349 WeakPolarHBondContact CA-O 3.5Å; I277-S349 PolarHBondContact N-O 3.38Å
350M96.6Very high94.7Very high0 Ų010.4 Ų10.40%05%0.052CC..EExtended strand (participates in β ladder)trans-97.9127174.6-175-173.7176.700110.1I277 V279 I335 F389 S409 I410 V411I277-M350 CarbonylContact O-C 3.42Å; I277-M350 VanDerWaalsContact O-CA 3.32Å; I277-M350 WeakPolarHBondContact O-CA 3.35Å; V279-M350 HydrophobicContact CB-CE 4.39Å; V279-M350 HydrophobicContact CG2-CE 3.64Å; I335-M350 HydrophobicContact CB-CE 4.13Å; I335-M350 HydrophobicContact CB-SD 3.79Å; I335-M350 HydrophobicContact CD1-SD 3.64Å; I335-M350 HydrophobicContact CG1-SD 4.31Å; M350-F389 HydrophobicContact CE-CE2 3.75Å; M350-F389 HydrophobicContact CE-CZ 3.94Å; M350-F389 HydrophobicContact SD-CE2 3.94Å; M350-F389 HydrophobicContact SD-CZ 4.08Å; M350-S409 PolarHBondContact N-O 2.86Å; M350-I410 HydrophobicContact CB-CG1 4.37Å; M350-I410 HydrophobicContact SD-CG1 4.43Å; M350-V411 PolarHBondContact O-N 3.11Å
351M94.9Very high94.4Very high0 Ų010.4 Ų10.40%05%0.052CC..EExtended strand (participates in β ladder)trans-108.9124.4171.8-65.7164.8-165.100109.2S264 L267 I276 I277 Y278 V279 V411S264-M351 WeakPolarHBondContact O-CE 3.39Å; L267-M351 HydrophobicContact CB-CE 3.66Å; L267-M351 HydrophobicContact CD2-CE 3.57Å; L267-M351 HydrophobicContact CG-CE 3.51Å; I276-M351 HydrophobicContact CG2-CE 4.14Å; I276-M351 HydrophobicContact CG2-SD 4.37Å; I277-M351 PolarHBondContact O-N 2.66Å; Y278-M351 HydrophobicContact CD2-CB 3.77Å; Y278-M351 HydrophobicContact CD2-SD 4Å; Y278-M351 HydrophobicContact CE2-CB 4.32Å; V279-M351 PolarHBondContact N-O 3.19Å; M351-V411 WeakPolarHBondContact CA-O 3.48Å
352A94.2Very high94.2Very high1 Ų110.6 Ų10.61%0.0085%0.053CC..EExtended strand (participates in β ladder)trans-113.4100.8176.800000109.4I331 T355 F389 V411 A413I331-A352 HydrophobicContact CD1-CB 4.02Å; A352-T355 HydrophobicContact CB-CG2 3.96Å; A352-F389 HydrophobicContact CB-CZ 4.25Å; A352-V411 PolarHBondContact N-O 2.91Å; A352-A413 PolarHBondContact O-N 3.44Å
353D92Very high94Very high1 Ų115 Ų151%0.0057%0.07CC..EExtended strand (participates in β ladder)trans-117.399.3178.4-161.19.3000108.8T261 Y278 V279 G280 C281 E283 A413T261-D353 PolarHBondContact OG1-OD2 3.39Å; Y278-D353 HydrophobicContact CE2-CB 4.47Å; Y278-D353 PolarHBondContact OH-OD2 2.94Å; V279-D353 PolarHBondContact O-N 2.84Å; G280-D353 CarbonylContact C-O 3.53Å; G280-D353 WeakPolarHBondContact CA-O 3.46Å; C281-D353 PolarHBondContact N-O 2.83Å; E283-D353 HydrophobicContact CG-CB 4.48Å; E283-D353 WeakPolarHBondContact CG-O 3.45Å; E283-D353 VanDerWaalsContact OE1-C 3.28Å; D353-A413 HydrophobicContact CB-CB 4.3Å; D353-A413 WeakPolarHBondContact OD1-CB 3.38Å
354S90.3Very high93.7Very high0 Ų018.3 Ų18.30%09%0.085CC..THydrogen-bonded Turncis-129.9144.7652.50000113.4C281 E283 S356 R357 A413C281-S354 PolarHBondContact O-N 3.19Å; E283-S354 WeakPolarHBondContact OE1-CB 3.43Å; E283-S354 PolarHBondContact OE1-N 3.02Å; E283-S354 PolarHBondContact OE1-OG 3.41Å; S354-S356 VanDerWaalsContact C-N 3.29Å; S354-S356 PolarHBondContact O-N 3.32Å; S354-R357 PolarHBondContact O-N 3.16Å; S354-R357 WeakPolarHBondContact OG-CG 3.43Å; S354-A413 WeakPolarHBondContact CA-O 3.37Å; S354-A413 WeakPolarHBondContact CB-O 3.48Å
355T93.5Very high93.3Very high0 Ų018.9 Ų18.90%09%0.088CC..Hα-helixtrans-73.3-21.7179.460.10000112.5A352 W358 A359 A413A352-T355 HydrophobicContact CB-CG2 3.96Å; T355-W358 WeakPolarHBondContact O-CB 3.42Å; T355-W358 PolarHBondContact O-N 2.86Å; T355-A359 PolarHBondContact O-N 3.47Å; T355-A413 PolarHBondContact N-O 3.29Å; T355-A413 PolarHBondContact OG1-O 3.28Å
356S92.2Very high93.1Very high3 Ų318.1 Ų18.12%0.0218%0.079CC..Hα-helixtrans-66.5-39.3173.2-62.10000112.5S354 W358 A359 E360 V414 S415S354-S356 VanDerWaalsContact C-N 3.29Å; S354-S356 PolarHBondContact O-N 3.32Å; S356-W358 VanDerWaalsContact C-N 3.25Å; S356-W358 PolarHBondContact O-N 3.18Å; S356-A359 PolarHBondContact O-N 3.4Å; S356-E360 WeakPolarHBondContact O-CG 3.32Å; S356-E360 PolarHBondContact O-N 2.93Å; S356-V414 VanDerWaalsContact OG-CG1 3.31Å; S356-V414 WeakPolarHBondContact OG-CG1 3.47Å; S356-S415 PolarHBondContact OG-N 2.91Å
357R92.1Very high92.7Very high62 Ų6219.2 Ų19.223%0.23410%0.1CC..Hα-helixtrans-67.9-30.3176.4-64.7-70.3138.2-164.5-13.5111.6C281 S354 E360 A361C281-R357 VanDerWaalsContact O-CB 3.28Å; C281-R357 WeakPolarHBondContact O-CB 3.26Å; S354-R357 PolarHBondContact O-N 3.16Å; S354-R357 WeakPolarHBondContact OG-CG 3.43Å; R357-E360 WeakPolarHBondContact CD-OE2 3.4Å; R357-E360 VanDerWaalsContact CZ-CD 3.47Å; R357-E360 IonicContact CZ-OE1 2.84Å; R357-E360 IonicContact CZ-OE2 3.22Å; R357-E360 IonicContact NE-OE1 3.48Å; R357-E360 IonicContact NE-OE2 2.77Å; R357-E360 VanDerWaalsContact NH1-CD 3.29Å; R357-E360 IonicContact NH1-OE1 3.73Å; R357-E360 PolarHBondContact NH1-OE1 3.41Å; R357-E360 VanDerWaalsContact NH1-OE1 3.14Å; R357-E360 IonicContact NH1-OE2 3.7Å; R357-E360 PolarHBondContact NH1-OE2 2.84Å; R357-E360 IonicContact NH2-OE1 3.64Å; R357-E360 PolarHBondContact NH2-OE1 3.14Å; R357-E360 IonicContact NH2-OE2 2.67Å; R357-A361 WeakPolarHBondContact O-CB 3.45Å; R357-A361 PolarHBondContact O-N 3.13Å
358W94.6Very high92.2Very high0 Ų023 Ų230%011%0.111CC..Hα-helixtrans-66.5-45.2169.7174.442.5000111.8I331 Y332 T355 S356 E360 A361 L362 R385 L386 F389I331-W358 HydrophobicContact CG1-CB 4.27Å; I331-W358 HydrophobicContact CG1-CD2 4.31Å; I331-W358 HydrophobicContact CG1-CG 4.15Å; I331-W358 HydrophobicContact CG2-CE3 4.45Å; I331-W358 HydrophobicContact CG2-CZ3 4.47Å; Y332-W358 HydrophobicContact CE2-CZ2 4.48Å; T355-W358 WeakPolarHBondContact O-CB 3.42Å; T355-W358 PolarHBondContact O-N 2.86Å; S356-W358 VanDerWaalsContact C-N 3.25Å; S356-W358 PolarHBondContact O-N 3.18Å; W358-E360 VanDerWaalsContact C-N 3.34Å; W358-E360 PolarHBondContact O-N 3.5Å; W358-A361 WeakPolarHBondContact O-CA 3.49Å; W358-A361 VanDerWaalsContact O-CB 3.3Å; W358-A361 WeakPolarHBondContact O-CB 3.34Å; W358-A361 PolarHBondContact O-N 3.3Å; W358-A361 VanDerWaalsContact O-N 3.09Å; W358-L362 HydrophobicContact CZ2-CD1 4.16Å; W358-L362 PolarHBondContact O-N 3.26Å; W358-R385 HydrophobicContact CH2-CB 4.06Å; W358-R385 HydrophobicContact CZ2-CB 4.13Å; W358-L386 HydrophobicContact CE3-CD2 4.06Å; W358-L386 HydrophobicContact CZ3-CD2 3.68Å; W358-F389 HydrophobicContact CH2-CB 4.06Å; W358-F389 HydrophobicContact CZ3-CB 4.18Å; W358-F389 HydrophobicContact CZ3-CD1 4.38Å; W358-F389 HydrophobicContact CZ3-CG 4.31Å
359A93.8Very high91.6Very high0 Ų024.1 Ų24.10%012%0.117CC..Hα-helixtrans-62.7-39.4175.700000112.7T355 S356 A361 L362 R363 Y378 L382 V425T355-A359 PolarHBondContact O-N 3.47Å; S356-A359 PolarHBondContact O-N 3.4Å; A359-A361 VanDerWaalsContact C-N 3.29Å; A359-A361 PolarHBondContact O-N 2.58Å; A359-L362 PolarHBondContact O-N 2.67Å; A359-R363 PolarHBondContact O-N 2.82Å; A359-Y378 HydrophobicContact CB-CD1 4.44Å; A359-Y378 HydrophobicContact CB-CE1 3.96Å; A359-L382 HydrophobicContact CB-CD1 3.73Å; A359-V425 HydrophobicContact CB-CB 4.4Å; A359-V425 HydrophobicContact CB-CG1 3.95Å; A359-V425 HydrophobicContact CB-CG2 3.5Å
360E91.9Very high91.1Very high43 Ų4328.4 Ų28.420%0.20115%0.152CC..Hα-helixtrans-61.4-38.4171.9-73.1176.7-178.700111.9S356 R357 W358 R363 E364S356-E360 WeakPolarHBondContact O-CG 3.32Å; S356-E360 PolarHBondContact O-N 2.93Å; R357-E360 WeakPolarHBondContact CD-OE2 3.4Å; R357-E360 VanDerWaalsContact CZ-CD 3.47Å; R357-E360 IonicContact CZ-OE1 2.84Å; R357-E360 IonicContact CZ-OE2 3.22Å; R357-E360 IonicContact NE-OE1 3.48Å; R357-E360 IonicContact NE-OE2 2.77Å; R357-E360 VanDerWaalsContact NH1-CD 3.29Å; R357-E360 IonicContact NH1-OE1 3.73Å; R357-E360 PolarHBondContact NH1-OE1 3.41Å; R357-E360 VanDerWaalsContact NH1-OE1 3.14Å; R357-E360 IonicContact NH1-OE2 3.7Å; R357-E360 PolarHBondContact NH1-OE2 2.84Å; R357-E360 IonicContact NH2-OE1 3.64Å; R357-E360 PolarHBondContact NH2-OE1 3.14Å; R357-E360 IonicContact NH2-OE2 2.67Å; W358-E360 VanDerWaalsContact C-N 3.34Å; W358-E360 PolarHBondContact O-N 3.5Å; E360-R363 WeakPolarHBondContact O-CB 3.44Å; E360-R363 PolarHBondContact O-N 3.15Å; E360-E364 PolarHBondContact O-N 2.86Å
361A91.2Very high90.8Very high0 Ų032.1 Ų32.10%017%0.169CC..Hα-helixtrans-62.7-44.9175.200000111.4V324 R327 R357 W358 A359 R363 E364 I365V324-A361 VanDerWaalsContact CG1-CA 3.47Å; V324-A361 HydrophobicContact CG1-CB 3.44Å; V324-A361 VanDerWaalsContact CG1-CB 3.44Å; R327-A361 HydrophobicContact CB-CB 4.11Å; R357-A361 WeakPolarHBondContact O-CB 3.45Å; R357-A361 PolarHBondContact O-N 3.13Å; W358-A361 WeakPolarHBondContact O-CA 3.49Å; W358-A361 VanDerWaalsContact O-CB 3.3Å; W358-A361 WeakPolarHBondContact O-CB 3.34Å; W358-A361 PolarHBondContact O-N 3.3Å; W358-A361 VanDerWaalsContact O-N 3.09Å; A359-A361 VanDerWaalsContact C-N 3.29Å; A359-A361 PolarHBondContact O-N 2.58Å; A361-R363 VanDerWaalsContact C-N 3.3Å; A361-R363 PolarHBondContact O-N 2.77Å; A361-E364 PolarHBondContact O-N 3.22Å; A361-I365 VanDerWaalsContact O-CD1 3.31Å; A361-I365 WeakPolarHBondContact O-CD1 3.34Å; A361-I365 WeakPolarHBondContact O-CG1 3.37Å; A361-I365 PolarHBondContact O-N 2.79Å
362L91.8Very high90.7Very high4 Ų440.5 Ų40.52%0.02121%0.211CC..Hα-helixtrans-60-40.1174.9-67.1176.6000112E328 W358 A359 I365 S366 P379 L382 R385E328-L362 HydrophobicContact CG-CD2 4.44Å; W358-L362 HydrophobicContact CZ2-CD1 4.16Å; W358-L362 PolarHBondContact O-N 3.26Å; A359-L362 PolarHBondContact O-N 2.67Å; L362-I365 PolarHBondContact O-N 3.18Å; L362-S366 WeakPolarHBondContact O-CB 3.34Å; L362-S366 PolarHBondContact O-N 2.82Å; L362-S366 PolarHBondContact O-OG 3.33Å; L362-P379 HydrophobicContact CB-CG 4.23Å; L362-L382 HydrophobicContact CD1-CD1 4.16Å; L362-R385 HydrophobicContact CD1-CB 4.22Å; L362-R385 HydrophobicContact CD1-CG 4.27Å
363R92.4Very high90.7Very high98 Ų9844.6 Ų44.637%0.3724%0.237SC..Hα-helixtrans-61.7-41.9174.8174.8172.977.6179.21.4112.7A359 E360 A361 S366 G367 S376 G377 Y378A359-R363 PolarHBondContact O-N 2.82Å; E360-R363 WeakPolarHBondContact O-CB 3.44Å; E360-R363 PolarHBondContact O-N 3.15Å; A361-R363 VanDerWaalsContact C-N 3.3Å; A361-R363 PolarHBondContact O-N 2.77Å; R363-S366 PolarHBondContact O-OG 3.03Å; R363-G367 PolarHBondContact O-N 3.23Å; R363-S376 PolarHBondContact NH1-O 3.16Å; R363-G377 VanDerWaalsContact CG-O 3.3Å; R363-G377 WeakPolarHBondContact CG-O 3.29Å; R363-Y378 HydrophobicContact CB-CD1 3.84Å; R363-Y378 HydrophobicContact CB-CE1 4.23Å
364E88.9Confident90.6Very high80 Ų8046.9 Ų46.937%0.37426%0.256SS..Hα-helixtrans-67.3-43.4178.5-172.1176.7160.800111.3V324 E360 A361 G367 R368V324-E364 HydrophobicContact CG1-CB 4.24Å; V324-E364 VanDerWaalsContact CG2-OE2 3.31Å; V324-E364 WeakPolarHBondContact CG2-OE2 3.42Å; E360-E364 PolarHBondContact O-N 2.86Å; A361-E364 PolarHBondContact O-N 3.22Å; E364-G367 PolarHBondContact O-N 2.78Å; E364-R368 WeakPolarHBondContact O-CG 3.24Å; E364-R368 PolarHBondContact O-N 3.22Å
365I86.6Confident90.5Very high12 Ų1252.8 Ų52.86%0.06229%0.288CS..Hα-helixtrans-61.4-48.3177.5-63.4157.6000110.4Q66 V324 A361 L362 G367 R368 L369Q66-I365 VanDerWaalsContact NE2-CG1 3.32Å; V324-I365 HydrophobicContact CG1-CG1 4.5Å; A361-I365 VanDerWaalsContact O-CD1 3.31Å; A361-I365 WeakPolarHBondContact O-CD1 3.34Å; A361-I365 WeakPolarHBondContact O-CG1 3.37Å; A361-I365 PolarHBondContact O-N 2.79Å; L362-I365 PolarHBondContact O-N 3.18Å; I365-G367 VanDerWaalsContact C-N 3.31Å; I365-G367 PolarHBondContact O-N 3.01Å; I365-R368 PolarHBondContact O-N 2.91Å; I365-L369 HydrophobicContact CG2-CD1 3.98Å; I365-L369 WeakPolarHBondContact O-CG 3.22Å; I365-L369 PolarHBondContact O-N 3.43Å; I365-L369 VanDerWaalsContact O-N 3.08Å
366S90.1Very high90.2Very high3 Ų356.8 Ų56.82%0.02132%0.316CS..Hα-helixtrans-62.3-39178.767.40000112.3L362 R363 R368 L369 A370 E371L362-S366 WeakPolarHBondContact O-CB 3.34Å; L362-S366 PolarHBondContact O-N 2.82Å; L362-S366 PolarHBondContact O-OG 3.33Å; R363-S366 PolarHBondContact O-OG 3.03Å; S366-R368 PolarHBondContact O-N 3.01Å; S366-L369 PolarHBondContact O-N 3.13Å; S366-A370 PolarHBondContact O-N 2.77Å; S366-E371 VanDerWaalsContact CB-OE2 3.25Å; S366-E371 WeakPolarHBondContact CB-OE2 3.36Å; S366-E371 PolarHBondContact O-N 3.04Å
367G89.3Confident90.2Very high53 Ų5358 Ų5855%0.54633%0.33SS..Hα-helixtrans-62.9-40.3175.900000112.9R363 E364 I365 L369 A370R363-G367 PolarHBondContact O-N 3.23Å; E364-G367 PolarHBondContact O-N 2.78Å; I365-G367 VanDerWaalsContact C-N 3.31Å; I365-G367 PolarHBondContact O-N 3.01Å; G367-L369 VanDerWaalsContact C-N 3.3Å; G367-L369 PolarHBondContact O-N 3.16Å; G367-A370 PolarHBondContact O-N 3.47Å
368R85.1Confident90.2Very high124 Ų12455.7 Ų55.747%0.46832%0.321SS..Hα-helixtrans-67.9-30.6175.5-67.3-70.5-177.4169.82.7112.7V29 E364 I365 S366 A370V29-R368 HydrophobicContact CG2-CB 3.91Å; E364-R368 WeakPolarHBondContact O-CG 3.24Å; E364-R368 PolarHBondContact O-N 3.22Å; I365-R368 PolarHBondContact O-N 2.91Å; S366-R368 PolarHBondContact O-N 3.01Å; R368-A370 PolarHBondContact O-N 3.29Å
369L84.3Confident90.2Very high23 Ų2355.9 Ų55.912%0.1232%0.322CS..THydrogen-bonded Turntrans-79.7-3.1175.4-65.8168.8000113.8I56 T64 I365 S366 G367 E371I56-L369 HydrophobicContact CD1-CD1 3.79Å; I56-L369 HydrophobicContact CD1-CD2 3.46Å; I56-L369 VanDerWaalsContact CD1-CD2 3.46Å; I56-L369 HydrophobicContact CD1-CG 4.1Å; T64-L369 HydrophobicContact CG2-CD2 3.96Å; I365-L369 HydrophobicContact CG2-CD1 3.98Å; I365-L369 WeakPolarHBondContact O-CG 3.22Å; I365-L369 PolarHBondContact O-N 3.43Å; I365-L369 VanDerWaalsContact O-N 3.08Å; S366-L369 PolarHBondContact O-N 3.13Å; G367-L369 VanDerWaalsContact C-N 3.3Å; G367-L369 PolarHBondContact O-N 3.16Å; L369-E371 HydrophobicContact CB-CG 3.97Å; L369-E371 PolarHBondContact O-N 2.94Å
370A87.4Confident90.1Very high90 Ų9060.1 Ų60.174%0.74436%0.357SS*.THydrogen-bonded Turntrans55.634-173.300000112.8S366 G367 R368S366-A370 PolarHBondContact O-N 2.77Å; G367-A370 PolarHBondContact O-N 3.47Å; R368-A370 PolarHBondContact O-N 3.29Å
371E89.4Confident90.2Very high77 Ų7761.3 Ų61.336%0.3636%0.36SS..PPolyproline II helixtrans-70.6145.9170.7-66.6-179.7157.600109.9S366 L369 P373 Y381S366-E371 VanDerWaalsContact CB-OE2 3.25Å; S366-E371 WeakPolarHBondContact CB-OE2 3.36Å; S366-E371 PolarHBondContact O-N 3.04Å; L369-E371 HydrophobicContact CB-CG 3.97Å; L369-E371 PolarHBondContact O-N 2.94Å; E371-P373 WeakPolarHBondContact O-CD 3.47Å; E371-Y381 WeakPolarHBondContact OE2-CE1 3.34Å; E371-Y381 PolarHBondContact OE2-OH 2.97Å
372M92.8Very high90.3Very high176 Ų17661.7 Ų61.787%0.86736%0.362SS*.PPolyproline II helixtrans-66.3122.4176.6-69.2-174.3179.900109.6
373P94.1Very high90.4Very high87 Ų8763 Ų6357%0.56538%0.377SS*.BIsolated β-bridgetrans-71.1149.8176.129.3-33.3000110.7E371E371-P373 WeakPolarHBondContact O-CD 3.47Å
374A91.3Very high90.5Very high50 Ų5061.5 Ų61.541%0.41339%0.385SS..  trans-93.3-137.3164.600000109Y378A374-Y378 PolarHBondContact N-O 3.48Å
375D88.5Confident90.7Very high123 Ų12360.5 Ų60.566%0.65838%0.378SS*.G310 helixtrans-65.2137.1-177.5-59.4-36.8000112.6G377 Y378 P424D375-G377 PolarHBondContact O-N 3.38Å; D375-Y378 WeakPolarHBondContact O-CD2 3.25Å; D375-Y378 PolarHBondContact O-N 2.64Å; D375-P424 HydrophobicContact CB-CG 3.97Å
376S86.6Confident91.1Very high84 Ų8460 Ų6059%0.58738%0.375SS*.G310 helixtrans52.424.8175.5-56.20000115R363R363-S376 PolarHBondContact NH1-O 3.16Å
377G91.2Very high91.4Very high30 Ų3061.3 Ų61.331%0.30939%0.387SS..G310 helixtrans87.6-5.8179.500000115.3R363 D375R363-G377 VanDerWaalsContact CG-O 3.3Å; R363-G377 WeakPolarHBondContact CG-O 3.29Å; D375-G377 PolarHBondContact O-N 3.38Å
378Y94.1Very high91.7Very high12 Ų1261.4 Ų61.45%0.04738%0.379CS..  trans-71.8153.8-179.1-67.3-74.2000112.2A359 R363 A374 D375 L382 P424 V425A359-Y378 HydrophobicContact CB-CD1 4.44Å; A359-Y378 HydrophobicContact CB-CE1 3.96Å; R363-Y378 HydrophobicContact CB-CD1 3.84Å; R363-Y378 HydrophobicContact CB-CE1 4.23Å; A374-Y378 PolarHBondContact N-O 3.48Å; D375-Y378 WeakPolarHBondContact O-CD2 3.25Å; D375-Y378 PolarHBondContact O-N 2.64Å; Y378-L382 HydrophobicContact CD1-CD2 3.93Å; Y378-L382 HydrophobicContact CD2-CD2 4.32Å; Y378-L382 HydrophobicContact CG-CD2 3.78Å; Y378-P424 HydrophobicContact CD2-CB 3.87Å; Y378-P424 HydrophobicContact CD2-CG 3.99Å; Y378-P424 HydrophobicContact CE2-CB 4.15Å; Y378-P424 HydrophobicContact CE2-CG 4.16Å; Y378-V425 HydrophobicContact CE1-CG2 3.88Å; Y378-V425 HydrophobicContact CE2-CG2 4.04Å; Y378-V425 WeakPolarHBondContact OH-CG2 3.33Å
379P93.5Very high92.2Very high4 Ų455.6 Ų55.63%0.02636%0.357CS..BIsolated β-bridgetrans-70.7152.2175.927.6-33.5000112L362 Y381 L382L362-P379 HydrophobicContact CB-CG 4.23Å; P379-Y381 HydrophobicContact CB-CD1 3.99Å; P379-Y381 HydrophobicContact CB-CD2 4.09Å; P379-Y381 HydrophobicContact CB-CE1 3.58Å; P379-Y381 HydrophobicContact CB-CE2 3.69Å; P379-Y381 HydrophobicContact CB-CG 4.22Å; P379-Y381 VanDerWaalsContact CB-CZ 3.41Å; P379-Y381 HydrophobicContact CG-CD2 4.01Å; P379-Y381 HydrophobicContact CG-CE1 4.37Å; P379-Y381 HydrophobicContact CG-CE2 3.54Å; P379-Y381 PolarHBondContact O-N 3.15Å; P379-Y381 VanDerWaalsContact O-N 3.11Å; P379-L382 WeakPolarHBondContact O-CB 3.3Å; P379-L382 PolarHBondContact O-N 3.5Å; P379-L382 VanDerWaalsContact O-N 3.08Å
380A92.8Very high92.8Very high89 Ų8954.5 Ų54.574%0.73635%0.351SS*.THydrogen-bonded Turntrans-59.2-25.4178.200000113.7L382A380-L382 VanDerWaalsContact C-N 3.35Å
381Y92.7Very high93.1Very high68 Ų6855.6 Ų55.627%0.26734%0.341SS..THydrogen-bonded Turntrans-86.35.617954.1-103.2000114.7E371 P379 G383 A384 R385E371-Y381 WeakPolarHBondContact OE2-CE1 3.34Å; E371-Y381 PolarHBondContact OE2-OH 2.97Å; P379-Y381 HydrophobicContact CB-CD1 3.99Å; P379-Y381 HydrophobicContact CB-CD2 4.09Å; P379-Y381 HydrophobicContact CB-CE1 3.58Å; P379-Y381 HydrophobicContact CB-CE2 3.69Å; P379-Y381 HydrophobicContact CB-CG 4.22Å; P379-Y381 VanDerWaalsContact CB-CZ 3.41Å; P379-Y381 HydrophobicContact CG-CD2 4.01Å; P379-Y381 HydrophobicContact CG-CE1 4.37Å; P379-Y381 HydrophobicContact CG-CE2 3.54Å; P379-Y381 PolarHBondContact O-N 3.15Å; P379-Y381 VanDerWaalsContact O-N 3.11Å; Y381-G383 PolarHBondContact O-N 3.43Å; Y381-A384 PolarHBondContact O-N 3.25Å; Y381-R385 HydrophobicContact CD2-CG 3.87Å; Y381-R385 WeakPolarHBondContact O-CG 3.27Å; Y381-R385 PolarHBondContact O-N 3.32Å
382L93.8Very high93.5Very high9 Ų952.5 Ų52.55%0.04733%0.326CS..Hα-helixtrans-55.1-48.8-180176.364.4000112.2A359 L362 Y378 P379 A380 A384 R385 L386 V425A359-L382 HydrophobicContact CB-CD1 3.73Å; L362-L382 HydrophobicContact CD1-CD1 4.16Å; Y378-L382 HydrophobicContact CD1-CD2 3.93Å; Y378-L382 HydrophobicContact CD2-CD2 4.32Å; Y378-L382 HydrophobicContact CG-CD2 3.78Å; P379-L382 WeakPolarHBondContact O-CB 3.3Å; P379-L382 PolarHBondContact O-N 3.5Å; P379-L382 VanDerWaalsContact O-N 3.08Å; A380-L382 VanDerWaalsContact C-N 3.35Å; L382-A384 VanDerWaalsContact C-N 3.33Å; L382-A384 PolarHBondContact O-N 2.91Å; L382-R385 PolarHBondContact O-N 3.45Å; L382-L386 HydrophobicContact CD1-CD1 4.12Å; L382-L386 HydrophobicContact CD1-CG 4.33Å; L382-L386 HydrophobicContact CG-CD1 4.09Å; L382-L386 WeakPolarHBondContact O-CG 3.33Å; L382-L386 PolarHBondContact O-N 2.77Å; L382-V425 HydrophobicContact CD2-CG2 4.29Å
383G94.1Very high93.6Very high32 Ų3244.5 Ų44.533%0.3329%0.288SS..Hα-helixtrans-61.6-40.7179.500000112.6Y381 L386 A387Y381-G383 PolarHBondContact O-N 3.43Å; G383-L386 PolarHBondContact O-N 2.91Å; G383-A387 VanDerWaalsContact O-CB 3.3Å; G383-A387 WeakPolarHBondContact O-CB 3.37Å; G383-A387 PolarHBondContact O-N 3.2Å
384A94.1Very high93.7Very high66 Ų6641 Ų4155%0.54527%0.267SS..Hα-helixtrans-65.5-39.5177.400000112.2Y381 L382 A387 S388Y381-A384 PolarHBondContact O-N 3.25Å; L382-A384 VanDerWaalsContact C-N 3.33Å; L382-A384 PolarHBondContact O-N 2.91Å; A384-A387 PolarHBondContact O-N 2.93Å; A384-S388 WeakPolarHBondContact O-CB 3.2Å; A384-S388 PolarHBondContact O-N 3.47Å; A384-S388 PolarHBondContact O-OG 2.98Å
385R93.6Very high94Very high59 Ų5941.1 Ų41.122%0.22326%0.257CS..Hα-helixtrans-64.6-48.8176.3-69.4-65.7-173.7-174.1-1.3111.4Y41 Y332 W358 L362 Y381 L382 A387 S388 F389Y41-R385 PolarHBondContact OH-NH2 2.86Å; Y332-R385 WeakPolarHBondContact OH-CD 3.38Å; W358-R385 HydrophobicContact CH2-CB 4.06Å; W358-R385 HydrophobicContact CZ2-CB 4.13Å; L362-R385 HydrophobicContact CD1-CB 4.22Å; L362-R385 HydrophobicContact CD1-CG 4.27Å; Y381-R385 HydrophobicContact CD2-CG 3.87Å; Y381-R385 WeakPolarHBondContact O-CG 3.27Å; Y381-R385 PolarHBondContact O-N 3.32Å; L382-R385 PolarHBondContact O-N 3.45Å; R385-A387 VanDerWaalsContact C-N 3.33Å; R385-A387 PolarHBondContact O-N 2.79Å; R385-S388 PolarHBondContact O-N 2.93Å; R385-S388 PolarHBondContact O-OG 3.42Å; R385-F389 PolarHBondContact O-N 3.49Å; R385-F389 VanDerWaalsContact O-N 3.09Å
386L95.2Very high94.3Very high0 Ų035.4 Ų35.40%023%0.226CC..Hα-helixtrans-59.3-44.4175.9-69.2169.8000111.3W358 L382 G383 F389 Y390 A428 I432W358-L386 HydrophobicContact CE3-CD2 4.06Å; W358-L386 HydrophobicContact CZ3-CD2 3.68Å; L382-L386 HydrophobicContact CD1-CD1 4.12Å; L382-L386 HydrophobicContact CD1-CG 4.33Å; L382-L386 HydrophobicContact CG-CD1 4.09Å; L382-L386 WeakPolarHBondContact O-CG 3.33Å; L382-L386 PolarHBondContact O-N 2.77Å; G383-L386 PolarHBondContact O-N 2.91Å; L386-F389 PolarHBondContact O-N 2.87Å; L386-Y390 HydrophobicContact CD2-CE2 4.39Å; L386-Y390 VanDerWaalsContact O-CD2 3.29Å; L386-Y390 WeakPolarHBondContact O-CD2 3.41Å; L386-Y390 PolarHBondContact O-N 2.94Å; L386-A428 HydrophobicContact CD1-CB 3.67Å; L386-I432 HydrophobicContact CB-CD1 3.61Å
387A95.3Very high94.8Very high32 Ų3233.5 Ų33.526%0.26421%0.208SC..Hα-helixtrans-62.1-47.6178.600000111.5G383 A384 R385 F389 Y390 E391 I432G383-A387 VanDerWaalsContact O-CB 3.3Å; G383-A387 WeakPolarHBondContact O-CB 3.37Å; G383-A387 PolarHBondContact O-N 3.2Å; A384-A387 PolarHBondContact O-N 2.93Å; R385-A387 VanDerWaalsContact C-N 3.33Å; R385-A387 PolarHBondContact O-N 2.79Å; A387-F389 PolarHBondContact O-N 3.21Å; A387-Y390 PolarHBondContact O-N 2.79Å; A387-E391 VanDerWaalsContact O-CB 3.25Å; A387-E391 WeakPolarHBondContact O-CB 3.46Å; A387-E391 WeakPolarHBondContact O-CG 3.13Å; A387-E391 PolarHBondContact O-N 2.86Å; A387-I432 HydrophobicContact CB-CD1 3.98Å; A387-I432 HydrophobicContact CB-CG1 4.25Å
388S95.3Very high95Very high55 Ų5532.2 Ų32.239%0.38519%0.194SC..Hα-helixtrans-61-26.9178740000113.5A384 R385 R392A384-S388 WeakPolarHBondContact O-CB 3.2Å; A384-S388 PolarHBondContact O-N 3.47Å; A384-S388 PolarHBondContact O-OG 2.98Å; R385-S388 PolarHBondContact O-N 2.93Å; R385-S388 PolarHBondContact O-OG 3.42Å; S388-R392 WeakPolarHBondContact O-CD 3.26Å; S388-R392 WeakPolarHBondContact O-CG 3.5Å
389F96.3Very high95Very high1 Ų134 Ų340%0.00420%0.204CC..Hα-helixtrans-79-53.9175.9167.3-107.9000111.6I331 I335 M350 A352 W358 R385 L386 A387 E391 R392 I410I331-F389 HydrophobicContact CG2-CD2 3.54Å; I331-F389 HydrophobicContact CG2-CE2 3.43Å; I331-F389 VanDerWaalsContact CG2-CE2 3.43Å; I331-F389 HydrophobicContact CG2-CG 4.21Å; I331-F389 HydrophobicContact CG2-CZ 4.02Å; I335-F389 HydrophobicContact CB-CD2 4.37Å; I335-F389 HydrophobicContact CB-CE2 4.05Å; I335-F389 HydrophobicContact CD1-CE2 4.49Å; I335-F389 HydrophobicContact CG1-CE2 4.38Å; I335-F389 HydrophobicContact CG2-CD2 4.5Å; M350-F389 HydrophobicContact CE-CE2 3.75Å; M350-F389 HydrophobicContact CE-CZ 3.94Å; M350-F389 HydrophobicContact SD-CE2 3.94Å; M350-F389 HydrophobicContact SD-CZ 4.08Å; A352-F389 HydrophobicContact CB-CZ 4.25Å; W358-F389 HydrophobicContact CH2-CB 4.06Å; W358-F389 HydrophobicContact CZ3-CB 4.18Å; W358-F389 HydrophobicContact CZ3-CD1 4.38Å; W358-F389 HydrophobicContact CZ3-CG 4.31Å; R385-F389 PolarHBondContact O-N 3.49Å; R385-F389 VanDerWaalsContact O-N 3.09Å; L386-F389 PolarHBondContact O-N 2.87Å; A387-F389 PolarHBondContact O-N 3.21Å; F389-E391 VanDerWaalsContact C-N 3.34Å; F389-E391 PolarHBondContact O-N 2.86Å; F389-R392 WeakPolarHBondContact O-CB 3.42Å; F389-R392 PolarHBondContact O-N 3.28Å; F389-I410 HydrophobicContact CE1-CD1 4.47Å; F389-I410 HydrophobicContact CE1-CG2 3.78Å; F389-I410 HydrophobicContact CE2-CD1 4.38Å; F389-I410 HydrophobicContact CZ-CD1 4.21Å; F389-I410 HydrophobicContact CZ-CG2 3.84Å
390Y96.3Very high94.8Very high1 Ų134.7 Ų34.70%0.00421%0.212CC..Hα-helixtrans-67.9-31-177.1-78.4-72.7000113T249 L386 A387 R392 A393 I410 T429 I432 V433T249-Y390 HydrophobicContact CG2-CD1 4.21Å; T249-Y390 WeakPolarHBondContact CG2-O 3.38Å; L386-Y390 HydrophobicContact CD2-CE2 4.39Å; L386-Y390 VanDerWaalsContact O-CD2 3.29Å; L386-Y390 WeakPolarHBondContact O-CD2 3.41Å; L386-Y390 PolarHBondContact O-N 2.94Å; A387-Y390 PolarHBondContact O-N 2.79Å; Y390-R392 PolarHBondContact O-N 3Å; Y390-A393 WeakPolarHBondContact O-CB 3.31Å; Y390-A393 PolarHBondContact O-N 2.73Å; Y390-A393 VanDerWaalsContact O-N 3.14Å; Y390-I410 HydrophobicContact CD1-CB 4.37Å; Y390-I410 HydrophobicContact CD1-CG2 3.74Å; Y390-I410 HydrophobicContact CE1-CG2 3.66Å; Y390-T429 HydrophobicContact CE2-CG2 4.03Å; Y390-I432 HydrophobicContact CD2-CG2 4.23Å; Y390-I432 HydrophobicContact CG-CG2 4.21Å; Y390-V433 HydrophobicContact CD1-CG1 3.96Å; Y390-V433 HydrophobicContact CD2-CG1 4.44Å; Y390-V433 HydrophobicContact CE1-CG1 3.79Å; Y390-V433 HydrophobicContact CE2-CG1 4.3Å; Y390-V433 HydrophobicContact CG-CG1 4.29Å
391E95.3Very high94.5Very high112 Ų11235.3 Ų35.352%0.52320%0.203SC..THydrogen-bonded Turntrans-71.4-8.1177.9-76.9-64143.400114.6K224 A387 F389 A393K224-E391 PolarHBondContact NZ-O 3.35Å; K224-E391 IonicContact NZ-OE2 3.82Å; A387-E391 VanDerWaalsContact O-CB 3.25Å; A387-E391 WeakPolarHBondContact O-CB 3.46Å; A387-E391 WeakPolarHBondContact O-CG 3.13Å; A387-E391 PolarHBondContact O-N 2.86Å; F389-E391 VanDerWaalsContact C-N 3.34Å; F389-E391 PolarHBondContact O-N 2.86Å; E391-A393 VanDerWaalsContact C-N 3.3Å
392R96.2Very high94.4Very high13 Ų1335.7 Ų35.75%0.04921%0.214CC..THydrogen-bonded Turntrans-77.1-19.5171.3-70.1174.374.5171.1-0.5112.3V215 V218 I335 T336 E339 S388 F389 Y390V215-R392 PolarHBondContact O-NH1 2.9Å; V218-R392 HydrophobicContact CG1-CG 4.45Å; V218-R392 HydrophobicContact CG2-CG 4.03Å; I335-R392 HydrophobicContact CD1-CB 4.08Å; I335-R392 HydrophobicContact CG1-CB 3.88Å; I335-R392 VanDerWaalsContact CG2-CZ 3.44Å; I335-R392 VanDerWaalsContact CG2-NH1 3.26Å; T336-R392 PolarHBondContact OG1-NH2 3.03Å; E339-R392 VanDerWaalsContact CD-NH2 3.26Å; E339-R392 WeakPolarHBondContact OE1-CB 3.48Å; E339-R392 WeakPolarHBondContact OE1-CG 3.33Å; E339-R392 IonicContact OE1-CZ 2.83Å; E339-R392 IonicContact OE1-NE 3.3Å; E339-R392 PolarHBondContact OE1-NE 3.29Å; E339-R392 IonicContact OE1-NH2 2.71Å; E339-R392 PolarHBondContact OE1-NH2 3.48Å; E339-R392 IonicContact OE2-CZ 3.95Å; E339-R392 IonicContact OE2-NE 3.19Å; E339-R392 IonicContact OE2-NH2 3.39Å; E339-R392 PolarHBondContact OE2-NH2 2.92Å; S388-R392 WeakPolarHBondContact O-CD 3.26Å; S388-R392 WeakPolarHBondContact O-CG 3.5Å; F389-R392 WeakPolarHBondContact O-CB 3.42Å; F389-R392 PolarHBondContact O-N 3.28Å; Y390-R392 PolarHBondContact O-N 3Å
393A95.6Very high94.3Very high8 Ų842.2 Ų42.27%0.06624%0.244CC..  trans-70156.2168.700000111.2T249 Y390 E391 V408 I410T249-A393 HydrophobicContact CG2-CB 3.69Å; Y390-A393 WeakPolarHBondContact O-CB 3.31Å; Y390-A393 PolarHBondContact O-N 2.73Å; Y390-A393 VanDerWaalsContact O-N 3.14Å; E391-A393 VanDerWaalsContact C-N 3.3Å; A393-V408 WeakPolarHBondContact CA-O 3Å; A393-V408 VanDerWaalsContact CB-O 3.24Å; A393-V408 WeakPolarHBondContact CB-O 3.39Å; A393-I410 HydrophobicContact CB-CB 4.11Å; A393-I410 HydrophobicContact CB-CD1 3.53Å; A393-I410 HydrophobicContact CB-CG1 3.63Å
394G95.9Very high94.3Very high12 Ų1241.6 Ų41.612%0.12423%0.232CC..EExtended strand (participates in β ladder)trans149.4158.1179.600000112.7G247 S407 V408G247-G394 WeakPolarHBondContact O-CA 3.47Å; G247-G394 PolarHBondContact O-N 3.22Å; G394-S407 WeakPolarHBondContact O-CA 3.37Å; G394-V408 PolarHBondContact N-O 3.5Å; G394-V408 PolarHBondContact O-N 2.95Å
395R96.9Very high94.4Very high53 Ų5343 Ų4320%0.223%0.227CC..EExtended strand (participates in β ladder)trans-84.4132.8162-177.9179172.4170.9-13.2108.7L225 N228 E405L225-R395 HydrophobicContact CB-CG 4.22Å; L225-R395 PolarHBondContact N-O 3.1Å; L225-R395 VanDerWaalsContact O-O 3.13Å; N228-R395 PolarHBondContact OD1-NH1 3.39Å; R395-E405 IonicContact CZ-OE2 3.89Å; R395-E405 VanDerWaalsContact CZ-OE2 3.3Å; R395-E405 IonicContact NE-OE2 3.26Å; R395-E405 PolarHBondContact NE-OE2 3.35Å; R395-E405 IonicContact NH2-OE2 2.65Å; R395-E405 PolarHBondContact NH2-OE2 3.44Å
396V96.7Very high94.5Very high3 Ų340.2 Ų40.22%0.01822%0.216CC..EExtended strand (participates in β ladder)trans-140.5152.1-174.7-55.50000110.6V221 E223 K224 R342 E405 G406V221-V396 HydrophobicContact CB-CB 4.2Å; V221-V396 HydrophobicContact CB-CG2 4.32Å; V221-V396 HydrophobicContact CG1-CB 4.15Å; V221-V396 HydrophobicContact CG1-CG1 4.36Å; V221-V396 HydrophobicContact CG1-CG2 3.82Å; V221-V396 HydrophobicContact CG2-CB 4.4Å; V221-V396 HydrophobicContact CG2-CG1 4.31Å; E223-V396 WeakPolarHBondContact O-CA 3.27Å; K224-V396 HydrophobicContact CG-CG1 4.16Å; R342-V396 HydrophobicContact CG-CG2 4.07Å; V396-E405 WeakPolarHBondContact O-CA 3.23Å; V396-G406 PolarHBondContact N-O 3.19Å; V396-G406 PolarHBondContact O-N 2.85Å
397K96.9Very high94.6Very high44 Ų4440.2 Ų40.219%0.19122%0.217CC..EExtended strand (participates in β ladder)trans-82.2119.5161.8-168.4170.6178.9172.30108.1T222 E223 L225 E403T222-K397 WeakPolarHBondContact CB-O 3.25Å; T222-K397 PolarHBondContact N-O 2.9Å; E223-K397 HydrophobicContact CG-CB 3.59Å; E223-K397 HydrophobicContact CG-CD 4.22Å; E223-K397 HydrophobicContact CG-CG 4.5Å; E223-K397 PolarHBondContact O-N 2.79Å; E223-K397 VanDerWaalsContact OE1-CD 3.3Å; E223-K397 WeakPolarHBondContact OE1-CD 3.13Å; L225-K397 HydrophobicContact CD1-CB 4.31Å; K397-E403 WeakPolarHBondContact CE-OE1 3.3Å; K397-E403 IonicContact NZ-OE1 3.38Å; K397-E403 PolarHBondContact NZ-OE1 3.31Å; K397-E403 IonicContact NZ-OE2 2.61Å; K397-E403 PolarHBondContact NZ-OE2 3.11Å
398C94.7Very high94.7Very high3 Ų338.7 Ų38.72%0.0220%0.204CC..PPolyproline II helixtrans-66.4157.6-176.8-560000110.8T222 R342 R404T222-C398 PolarHBondContact OG1-O 2.89Å; R342-C398 PolarHBondContact O-SG 2.93Å; C398-R404 HydrophobicContact CB-CB 4.12Å; C398-R404 PolarHBondContact N-O 3.39Å
399L93.4Very high94.8Very high49 Ų4936.1 Ų36.126%0.25719%0.186SC..SBendtrans-74148.8170.5-81170.6000111.6G154 P220 T222 R404G154-L399 CarbonylContact C-O 3.57Å; P220-L399 VanDerWaalsContact C-CD1 3.48Å; P220-L399 HydrophobicContact CB-CD1 3.69Å; P220-L399 HydrophobicContact CG-CD1 3.71Å; P220-L399 VanDerWaalsContact O-CD1 3.28Å; P220-L399 WeakPolarHBondContact O-CD1 3.33Å; T222-L399 WeakPolarHBondContact OG1-CA 3.36Å; L399-R404 PolarHBondContact O-NH2 2.97Å
400G89.2Confident94.9Very high19 Ų1936.1 Ų36.120%0.19619%0.186CC..SBendtrans80.7169.5170.400000115.1D155 P402 R404D155-G400 VanDerWaalsContact OD1-C 3.3Å; D155-G400 WeakPolarHBondContact OD1-CA 3.16Å; G400-P402 CarbonylContact O-C 3.6Å; G400-R404 PolarHBondContact O-NH2 2.86Å
401N88.2Confident94.8Very high103 Ų10336.1 Ų36.155%0.55119%0.186SC*.SBendtrans-89.3143.8179.3-62.2-63.4000110.9D155 I156D155-N401 WeakPolarHBondContact CA-O 3.17Å; D155-N401 PolarHBondContact OD1-N 3.36Å; I156-N401 PolarHBondContact N-O 3.31Å
402P89.1Confident94.8Very high76 Ų7630.8 Ų30.849%0.49416%0.161SC..SBendcis-67.4159.5-729.8-37.4000113.2I156 G400 R404I156-P402 HydrophobicContact CD1-CG 4.14Å; G400-P402 CarbonylContact O-C 3.6Å; P402-R404 HydrophobicContact CG-CG 4.39Å; P402-R404 WeakPolarHBondContact O-CG 3.36Å; P402-R404 PolarHBondContact O-N 3.29Å; P402-R404 PolarHBondContact O-NE 3.01Å
403E92Very high94.7Very high146 Ų14630.2 Ų30.268%0.68216%0.159SC*.PPolyproline II helixtrans-59.5126.6172.9-64.5-157.2143.900110.4K397K397-E403 WeakPolarHBondContact CE-OE1 3.3Å; K397-E403 IonicContact NZ-OE1 3.38Å; K397-E403 PolarHBondContact NZ-OE1 3.31Å; K397-E403 IonicContact NZ-OE2 2.61Å; K397-E403 PolarHBondContact NZ-OE2 3.11Å
404R94Very high94.6Very high18 Ų1829.9 Ų29.97%0.06816%0.157CC..  trans-140.5148.3-174.9-71.9162.4-75.9161.1-6.5109.7G154 M171 D343 C398 L399 G400 P402G154-R404 PolarHBondContact O-NH2 3.21Å; M171-R404 PolarHBondContact SD-NH1 3.18Å; D343-R404 PolarHBondContact O-NH1 3.09Å; C398-R404 HydrophobicContact CB-CB 4.12Å; C398-R404 PolarHBondContact N-O 3.39Å; L399-R404 PolarHBondContact O-NH2 2.97Å; G400-R404 PolarHBondContact O-NH2 2.86Å; P402-R404 HydrophobicContact CG-CG 4.39Å; P402-R404 WeakPolarHBondContact O-CG 3.36Å; P402-R404 PolarHBondContact O-N 3.29Å; P402-R404 PolarHBondContact O-NE 3.01Å
405E96.1Very high94.4Very high96 Ų9629.6 Ų29.645%0.44915%0.152SC..EExtended strand (participates in β ladder)trans-116.5138.7169.6-63.4-177.9-163.500108.5L225 G345 R395 V396L225-E405 HydrophobicContact CD1-CG 4.11Å; G345-E405 CarbonylContact C-O 3.59Å; G345-E405 WeakPolarHBondContact CA-O 3.35Å; R395-E405 IonicContact CZ-OE2 3.89Å; R395-E405 VanDerWaalsContact CZ-OE2 3.3Å; R395-E405 IonicContact NE-OE2 3.26Å; R395-E405 PolarHBondContact NE-OE2 3.35Å; R395-E405 IonicContact NH2-OE2 2.65Å; R395-E405 PolarHBondContact NH2-OE2 3.44Å; V396-E405 WeakPolarHBondContact O-CA 3.23Å
406G95.9Very high93.9Very high0 Ų027 Ų270%014%0.143CC..EExtended strand (participates in β ladder)trans-138.8160.517600000110V396V396-G406 PolarHBondContact N-O 3.19Å; V396-G406 PolarHBondContact O-N 2.85Å
407S97.1Very high93.4Very high1 Ų131 Ų311%0.00717%0.168CC..EExtended strand (participates in β ladder)trans-135.1147.917768.80000111.8Y346 N347 V348 G394Y346-S407 PolarHBondContact O-N 3.23Å; N347-S407 PolarHBondContact OD1-OG 2.97Å; V348-S407 PolarHBondContact N-O 2.91Å; G394-S407 WeakPolarHBondContact O-CA 3.37Å
408V97.9Very high92.7Very high0 Ų032.5 Ų32.50%020%0.197CC..EExtended strand (participates in β ladder)trans-122.5114.6167.2174.60000107.9G247 I335 R342 V348 A393 G394 I410G247-V408 CarbonylContact C-O 3.56Å; G247-V408 VanDerWaalsContact CA-O 3.29Å; G247-V408 WeakPolarHBondContact CA-O 3.41Å; I335-V408 HydrophobicContact CD1-CG1 4.11Å; R342-V408 HydrophobicContact CB-CG2 3.52Å; R342-V408 HydrophobicContact CG-CG2 3.79Å; V348-V408 HydrophobicContact CB-CG2 4.34Å; V348-V408 CarbonylContact O-C 3.59Å; V348-V408 WeakPolarHBondContact O-CA 3.25Å; A393-V408 WeakPolarHBondContact CA-O 3Å; A393-V408 VanDerWaalsContact CB-O 3.24Å; A393-V408 WeakPolarHBondContact CB-O 3.39Å; G394-V408 PolarHBondContact N-O 3.5Å; G394-V408 PolarHBondContact O-N 2.95Å; V408-I410 HydrophobicContact CG1-CG1 4.16Å
409S97.3Very high92.1Very high1 Ų133.5 Ų33.51%0.00721%0.208CC..EExtended strand (participates in β ladder)trans-96127.9172-44.90000108.5Q246 G247 G248 V348 M350Q246-S409 WeakPolarHBondContact CA-OG 3.17Å; G247-S409 PolarHBondContact N-OG 3.42Å; G248-S409 WeakPolarHBondContact O-CA 3.28Å; V348-S409 PolarHBondContact O-N 2.99Å; M350-S409 PolarHBondContact N-O 2.86Å
410I97.3Very high91.8Very high0 Ų035.3 Ų35.30%022%0.217CC..EExtended strand (participates in β ladder)trans-107.1126.3177.2-67.5172.9000109G248 T250 I335 M350 F389 Y390 A393 V408G248-I410 PolarHBondContact O-N 3.37Å; T250-I410 PolarHBondContact N-O 2.77Å; I335-I410 HydrophobicContact CD1-CD1 3.64Å; I335-I410 HydrophobicContact CD1-CG1 4.16Å; M350-I410 HydrophobicContact CB-CG1 4.37Å; M350-I410 HydrophobicContact SD-CG1 4.43Å; F389-I410 HydrophobicContact CE1-CD1 4.47Å; F389-I410 HydrophobicContact CE1-CG2 3.78Å; F389-I410 HydrophobicContact CE2-CD1 4.38Å; F389-I410 HydrophobicContact CZ-CD1 4.21Å; F389-I410 HydrophobicContact CZ-CG2 3.84Å; Y390-I410 HydrophobicContact CD1-CB 4.37Å; Y390-I410 HydrophobicContact CD1-CG2 3.74Å; Y390-I410 HydrophobicContact CE1-CG2 3.66Å; A393-I410 HydrophobicContact CB-CB 4.11Å; A393-I410 HydrophobicContact CB-CD1 3.53Å; A393-I410 HydrophobicContact CB-CG1 3.63Å; V408-I410 HydrophobicContact CG1-CG1 4.16Å
411V96.2Very high91.7Very high2 Ų237.5 Ų37.51%0.01222%0.222CC..EExtended strand (participates in β ladder)trans-118.2104.1171.7-175.80000108.6T250 I252 L267 M350 M351 A352T250-V411 WeakPolarHBondContact O-CA 3Å; I252-V411 HydrophobicContact CD1-CG1 3.48Å; I252-V411 VanDerWaalsContact CD1-CG1 3.48Å; I252-V411 HydrophobicContact CG1-CG1 3.86Å; L267-V411 HydrophobicContact CD2-CB 4.18Å; L267-V411 HydrophobicContact CD2-CG1 4.29Å; L267-V411 HydrophobicContact CD2-CG2 3.59Å; M350-V411 PolarHBondContact O-N 3.11Å; M351-V411 WeakPolarHBondContact CA-O 3.48Å; A352-V411 PolarHBondContact N-O 2.91Å
412G95.3Very high91.7Very high0 Ų036.6 Ų36.60%022%0.224CC..EExtended strand (participates in β ladder)trans-98.2123.1-179.600000112.1T250 A251 I252T250-G412 PolarHBondContact O-N 3.34Å; A251-G412 CarbonylContact C-O 3.47Å; A251-G412 WeakPolarHBondContact CA-O 3.4Å; I252-G412 PolarHBondContact N-O 3.46Å
413A93.4Very high91.7Very high1 Ų133.7 Ų33.71%0.00820%0.204CC..EExtended strand (participates in β ladder)trans-85.3122.6171.800000110K260 A352 D353 S354 T355K260-A413 HydrophobicContact CD-CB 4.31Å; A352-A413 PolarHBondContact O-N 3.44Å; D353-A413 HydrophobicContact CB-CB 4.3Å; D353-A413 WeakPolarHBondContact OD1-CB 3.38Å; S354-A413 WeakPolarHBondContact CA-O 3.37Å; S354-A413 WeakPolarHBondContact CB-O 3.48Å; T355-A413 PolarHBondContact N-O 3.29Å; T355-A413 PolarHBondContact OG1-O 3.28Å
414V93.4Very high91.7Very high1 Ų127.9 Ų27.91%0.00618%0.179CC..EExtended strand (participates in β ladder)trans-107.8130.1177.9-169.40000108.1A251 I252 P253 G254 S356 P416 V425 T429A251-V414 HydrophobicContact CB-CG2 4.43Å; I252-V414 PolarHBondContact O-N 3.3Å; P253-V414 VanDerWaalsContact CA-O 3.24Å; P253-V414 WeakPolarHBondContact CA-O 3.45Å; P253-V414 HydrophobicContact CB-CB 4.11Å; G254-V414 PolarHBondContact N-O 3.44Å; G254-V414 VanDerWaalsContact N-O 3.08Å; S356-V414 VanDerWaalsContact OG-CG1 3.31Å; S356-V414 WeakPolarHBondContact OG-CG1 3.47Å; V414-P416 VanDerWaalsContact C-CD 3.44Å; V414-P416 WeakPolarHBondContact O-CD 3.47Å; V414-V425 HydrophobicContact CG1-CG1 4.26Å; V414-T429 HydrophobicContact CG2-CG2 4.06Å
415S90.4Very high91.7Very high5 Ų527 Ų274%0.03518%0.176CC..  trans-115.777.5-179.8-70.40000109.6K260 S356K260-S415 WeakPolarHBondContact CE-OG 3.23Å; K260-S415 PolarHBondContact NZ-OG 3.46Å; K260-S415 VanDerWaalsContact NZ-OG 3.13Å; S356-S415 PolarHBondContact OG-N 2.91Å
416P88.3Confident91.5Very high0 Ų022.6 Ų22.60%016%0.155CC..  trans-62.4142.5176.523.1-30.9000111.2V414 G418 G419 D420 D423V414-P416 VanDerWaalsContact C-CD 3.44Å; V414-P416 WeakPolarHBondContact O-CD 3.47Å; P416-G418 PolarHBondContact O-N 2.69Å; P416-G419 PolarHBondContact O-N 2.96Å; P416-D420 WeakPolarHBondContact CB-O 3.28Å; P416-D423 HydrophobicContact CB-CB 4.31Å
417P85.3Confident91.4Very high85 Ų8526 Ų2655%0.55218%0.179SC*.G310 helixtrans-61.3124.3174.826.9-32.8000109.5G419 D420P417-G419 PolarHBondContact O-N 3.46Å; P417-G419 VanDerWaalsContact O-N 3.1Å; P417-D420 PolarHBondContact O-N 3.26Å
418G82.4Confident91.2Very high76 Ų7627.2 Ų27.278%0.78419%0.189SC*.G310 helixtrans71.4-1.5179.300000116P416P416-G418 PolarHBondContact O-N 2.69Å
419G82.3Confident91.1Very high25 Ų2527.3 Ų27.326%0.25819%0.19SC..G310 helixtrans84.814.6-17400000114.3P416 P417P416-G419 PolarHBondContact O-N 2.96Å; P417-G419 PolarHBondContact O-N 3.46Å; P417-G419 VanDerWaalsContact O-N 3.1Å
420D86.5Confident90.9Very high86 Ų8629.4 Ų29.446%0.4620%0.2SC..  trans-83.2122.8-179.8-173.63.6000111.9P416 P417 S422P416-D420 WeakPolarHBondContact CB-O 3.28Å; P417-D420 PolarHBondContact O-N 3.26Å; D420-S422 PolarHBondContact O-N 2.91Å; D420-S422 WeakPolarHBondContact OD1-CB 3.33Å; D420-S422 PolarHBondContact OD1-N 3.37Å; D420-S422 PolarHBondContact OD1-OG 2.86Å; D420-S422 PolarHBondContact OD2-OG 3.37Å
421F86.6Confident90.6Very high65 Ų6532.4 Ų32.429%0.28523%0.231SC..THydrogen-bonded Turntrans-78.8-6.8178.6-55.8-41000113.8P253 D423 T426 I456P253-F421 HydrophobicContact CB-CD1 4.32Å; P253-F421 HydrophobicContact CB-CE1 3.95Å; P253-F421 HydrophobicContact CG-CE1 3.98Å; F421-D423 PolarHBondContact O-N 2.92Å; F421-T426 HydrophobicContact CB-CG2 4.06Å; F421-T426 HydrophobicContact CD1-CG2 4.01Å; F421-T426 HydrophobicContact CG-CG2 4.44Å; F421-I456 HydrophobicContact CD2-CD1 4.44Å; F421-I456 HydrophobicContact CE2-CD1 3.39Å; F421-I456 HydrophobicContact CZ-CD1 3.76Å
422S88Confident90.6Very high85 Ų8533.6 Ų33.659%0.59424%0.237SC*.THydrogen-bonded Turntrans-72-11.6173.183.20000113.4D420D420-S422 PolarHBondContact O-N 2.91Å; D420-S422 WeakPolarHBondContact OD1-CB 3.33Å; D420-S422 PolarHBondContact OD1-N 3.37Å; D420-S422 PolarHBondContact OD1-OG 2.86Å; D420-S422 PolarHBondContact OD2-OG 3.37Å
423D90.2Very high90.7Very high14 Ų1433.6 Ų33.68%0.07524%0.237CC..SBendtrans-56.7135.9178.1174.273.4000112P416 F421 V425 T426 S427P416-D423 HydrophobicContact CB-CB 4.31Å; F421-D423 PolarHBondContact O-N 2.92Å; D423-V425 PolarHBondContact O-N 2.8Å; D423-V425 VanDerWaalsContact O-N 3.12Å; D423-V425 WeakPolarHBondContact OD2-CB 3.21Å; D423-V425 WeakPolarHBondContact OD2-CG2 3.46Å; D423-V425 PolarHBondContact OD2-N 3Å; D423-T426 PolarHBondContact O-N 3.5Å; D423-T426 PolarHBondContact OD2-N 2.92Å; D423-S427 PolarHBondContact O-N 3.32Å
424P91.7Very high90.8Very high25 Ų2536.5 Ų36.516%0.16225%0.251CS..Hα-helixtrans-55.4-32.6-177.8-30.136.6000114.7D375 Y378 A428D375-P424 HydrophobicContact CB-CG 3.97Å; Y378-P424 HydrophobicContact CD2-CB 3.87Å; Y378-P424 HydrophobicContact CD2-CG 3.99Å; Y378-P424 HydrophobicContact CE2-CB 4.15Å; Y378-P424 HydrophobicContact CE2-CG 4.16Å; P424-A428 WeakPolarHBondContact O-CB 3.41Å; P424-A428 PolarHBondContact O-N 3.46Å
425V93.9Very high90.9Very high0 Ų036.5 Ų36.50%025%0.251CS..Hα-helixtrans-69.5-41.3177.9-170.90000110.3A359 Y378 L382 V414 D423 T429A359-V425 HydrophobicContact CB-CB 4.4Å; A359-V425 HydrophobicContact CB-CG1 3.95Å; A359-V425 HydrophobicContact CB-CG2 3.5Å; Y378-V425 HydrophobicContact CE1-CG2 3.88Å; Y378-V425 HydrophobicContact CE2-CG2 4.04Å; Y378-V425 WeakPolarHBondContact OH-CG2 3.33Å; L382-V425 HydrophobicContact CD2-CG2 4.29Å; V414-V425 HydrophobicContact CG1-CG1 4.26Å; D423-V425 PolarHBondContact O-N 2.8Å; D423-V425 VanDerWaalsContact O-N 3.12Å; D423-V425 WeakPolarHBondContact OD2-CB 3.21Å; D423-V425 WeakPolarHBondContact OD2-CG2 3.46Å; D423-V425 PolarHBondContact OD2-N 3Å; V425-T429 VanDerWaalsContact O-CB 3.27Å; V425-T429 WeakPolarHBondContact O-CB 3.23Å; V425-T429 PolarHBondContact O-N 2.8Å; V425-T429 PolarHBondContact O-OG1 3.25Å
426T92.7Very high91.2Very high2 Ų236.7 Ų36.71%0.01225%0.251CS..Hα-helixtrans-67.7-46.6177.6-54.90000110.9P253 F421 D423 T429 L430P253-T426 HydrophobicContact CB-CG2 4.48Å; F421-T426 HydrophobicContact CB-CG2 4.06Å; F421-T426 HydrophobicContact CD1-CG2 4.01Å; F421-T426 HydrophobicContact CG-CG2 4.44Å; D423-T426 PolarHBondContact O-N 3.5Å; D423-T426 PolarHBondContact OD2-N 2.92Å; T426-T429 PolarHBondContact O-N 2.86Å; T426-L430 HydrophobicContact CG2-CD1 4.03Å; T426-L430 HydrophobicContact CG2-CG 4.41Å; T426-L430 WeakPolarHBondContact O-CB 3.45Å; T426-L430 WeakPolarHBondContact O-CG 3.14Å; T426-L430 PolarHBondContact O-N 3.3Å
427S92.4Very high91.6Very high72 Ų7236.7 Ų36.750%0.50325%0.251SS..Hα-helixtrans-60.1-46.7177.3-176.60000112.2D423 T429 L430 G431D423-S427 PolarHBondContact O-N 3.32Å; S427-T429 PolarHBondContact O-N 2.86Å; S427-L430 WeakPolarHBondContact O-CB 3.33Å; S427-L430 PolarHBondContact O-N 3.21Å; S427-G431 PolarHBondContact O-N 3.36Å; S427-G431 VanDerWaalsContact O-N 3.16Å
428A93.9Very high92Very high26 Ų2632.6 Ų32.622%0.21523%0.225CC..Hα-helixtrans-62.8-42.417600000111.8L386 P424 G431 I432L386-A428 HydrophobicContact CD1-CB 3.67Å; P424-A428 WeakPolarHBondContact O-CB 3.41Å; P424-A428 PolarHBondContact O-N 3.46Å; A428-G431 PolarHBondContact O-N 3.02Å; A428-I432 VanDerWaalsContact O-CD1 3.25Å; A428-I432 WeakPolarHBondContact O-CD1 3.47Å; A428-I432 WeakPolarHBondContact O-CG1 3.49Å
429T94.8Very high92.5Very high2 Ų229.2 Ų29.21%0.01219%0.189CC..Hα-helixtrans-63.7-44.8178.1-58.10000111.2A251 Y390 V414 V425 T426 S427 G431 I432 V433A251-T429 HydrophobicContact CB-CG2 3.53Å; Y390-T429 HydrophobicContact CE2-CG2 4.03Å; V414-T429 HydrophobicContact CG2-CG2 4.06Å; V425-T429 VanDerWaalsContact O-CB 3.27Å; V425-T429 WeakPolarHBondContact O-CB 3.23Å; V425-T429 PolarHBondContact O-N 2.8Å; V425-T429 PolarHBondContact O-OG1 3.25Å; T426-T429 PolarHBondContact O-N 2.86Å; S427-T429 PolarHBondContact O-N 2.86Å; T429-G431 VanDerWaalsContact C-N 3.25Å; T429-G431 PolarHBondContact O-N 3.42Å; T429-I432 PolarHBondContact O-N 3.46Å; T429-V433 HydrophobicContact CG2-CG1 3.72Å; T429-V433 HydrophobicContact CG2-CG2 4.39Å; T429-V433 WeakPolarHBondContact O-CG2 3.35Å; T429-V433 PolarHBondContact O-N 3.45Å
430L93.4Very high92.9Very high45 Ų4529.9 Ų29.924%0.23619%0.186CC..Hα-helixtrans-56.5-36.3176.7-83.7168.9000113.1T426 S427 I432 F436 Y458T426-L430 HydrophobicContact CG2-CD1 4.03Å; T426-L430 HydrophobicContact CG2-CG 4.41Å; T426-L430 WeakPolarHBondContact O-CB 3.45Å; T426-L430 WeakPolarHBondContact O-CG 3.14Å; T426-L430 PolarHBondContact O-N 3.3Å; S427-L430 WeakPolarHBondContact O-CB 3.33Å; S427-L430 PolarHBondContact O-N 3.21Å; L430-I432 VanDerWaalsContact C-N 3.26Å; L430-I432 PolarHBondContact O-N 3.23Å; L430-F436 HydrophobicContact CD1-CE2 4.33Å; L430-F436 HydrophobicContact CD2-CB 4.35Å; L430-F436 HydrophobicContact CD2-CD1 4.23Å; L430-F436 HydrophobicContact CD2-CD2 3.23Å; L430-F436 HydrophobicContact CD2-CE1 4.35Å; L430-F436 HydrophobicContact CD2-CE2 3.27Å; L430-F436 HydrophobicContact CD2-CG 3.7Å; L430-F436 HydrophobicContact CD2-CZ 3.9Å; L430-F436 HydrophobicContact CG-CD2 4.13Å; L430-F436 HydrophobicContact CG-CE2 3.85Å; L430-Y458 HydrophobicContact CD2-CE1 3.93Å; L430-Y458 VanDerWaalsContact CD2-OH 3.22Å; L430-Y458 WeakPolarHBondContact CD2-OH 3.46Å; L430-Y458 PolarHBondContact O-OH 3.22Å
431G92.4Very high93.1Very high63 Ų6330.9 Ų30.965%0.64919%0.186SC*.Hα-helixtrans-68.2-23.2176.900000114.1S427 A428 T429S427-G431 PolarHBondContact O-N 3.36Å; S427-G431 VanDerWaalsContact O-N 3.16Å; A428-G431 PolarHBondContact O-N 3.02Å; T429-G431 VanDerWaalsContact C-N 3.25Å; T429-G431 PolarHBondContact O-N 3.42Å
432I95.3Very high93.3Very high27 Ų2734.5 Ų34.514%0.13820%0.202CC..Hα-helixtrans-103.2-46.3-172.4-58.2157.9000111.4L386 A387 Y390 A428 T429 L430L386-I432 HydrophobicContact CB-CD1 3.61Å; A387-I432 HydrophobicContact CB-CD1 3.98Å; A387-I432 HydrophobicContact CB-CG1 4.25Å; Y390-I432 HydrophobicContact CD2-CG2 4.23Å; Y390-I432 HydrophobicContact CG-CG2 4.21Å; A428-I432 VanDerWaalsContact O-CD1 3.25Å; A428-I432 WeakPolarHBondContact O-CD1 3.47Å; A428-I432 WeakPolarHBondContact O-CG1 3.49Å; T429-I432 PolarHBondContact O-N 3.46Å; L430-I432 VanDerWaalsContact C-N 3.26Å; L430-I432 PolarHBondContact O-N 3.23Å
433V96.3Very high93.5Very high0 Ų031.4 Ų31.40%018%0.179CC..  trans-72.8152.1-173.2-57.80000112.3A251 Y390 T429 V435A251-V433 HydrophobicContact CB-CB 4.4Å; A251-V433 HydrophobicContact CB-CG1 4.07Å; A251-V433 HydrophobicContact CB-CG2 3.84Å; Y390-V433 HydrophobicContact CD1-CG1 3.96Å; Y390-V433 HydrophobicContact CD2-CG1 4.44Å; Y390-V433 HydrophobicContact CE1-CG1 3.79Å; Y390-V433 HydrophobicContact CE2-CG1 4.3Å; Y390-V433 HydrophobicContact CG-CG1 4.29Å; T429-V433 HydrophobicContact CG2-CG1 3.72Å; T429-V433 HydrophobicContact CG2-CG2 4.39Å; T429-V433 WeakPolarHBondContact O-CG2 3.35Å; T429-V433 PolarHBondContact O-N 3.45Å; V433-V435 WeakPolarHBondContact CG2-O 3.5Å
434Q95.9Very high93.5Very high63 Ų6331.5 Ų31.529%0.29418%0.181SC..SBendtrans-95.9-25.8179-62.4-60.4-44.900112.6T249 K460 Y461T249-Q434 PolarHBondContact O-N 3.4Å; T249-Q434 PolarHBondContact OG1-N 3.26Å; Q434-K460 HydrophobicContact CB-CB 4.4Å; Q434-K460 WeakPolarHBondContact O-CB 3.2Å; Q434-K460 PolarHBondContact O-N 3.24Å; Q434-Y461 HydrophobicContact CB-CD2 4.08Å; Q434-Y461 HydrophobicContact CB-CE1 4.11Å; Q434-Y461 HydrophobicContact CB-CE2 3.33Å; Q434-Y461 WeakPolarHBondContact CB-OH 3.38Å; Q434-Y461 HydrophobicContact CG-CE1 4.22Å; Q434-Y461 HydrophobicContact CG-CE2 4.18Å; Q434-Y461 VanDerWaalsContact CG-OH 3.25Å; Q434-Y461 WeakPolarHBondContact CG-OH 3.42Å
435V96.7Very high93.4Very high0 Ų037 Ų370%021%0.205CC..EExtended strand (participates in β ladder)trans-119.6135.5175.5-173.40000110.2C244 T249 T250 A251 V433 W437 Y461C244-V435 HydrophobicContact CB-CG2 4.45Å; T249-V435 PolarHBondContact O-N 3.33Å; T250-V435 WeakPolarHBondContact CA-O 3.32Å; T250-V435 HydrophobicContact CG2-CB 4.11Å; T250-V435 HydrophobicContact CG2-CG1 4.01Å; A251-V435 PolarHBondContact N-O 3.43Å; V433-V435 WeakPolarHBondContact CG2-O 3.5Å; V435-W437 HydrophobicContact CG1-CG 4.45Å; V435-W437 HydrophobicContact CG1-CZ2 4.27Å; V435-Y461 HydrophobicContact CG2-CD2 3.36Å; V435-Y461 HydrophobicContact CG2-CE2 3.66Å
436F96Very high93.3Very high9 Ų946.7 Ų46.74%0.03924%0.242CC..EExtended strand (participates in β ladder)trans-129.9114.6-179.8178.6-102.9000110P253 L430 I456 S457 Y458P253-F436 HydrophobicContact CB-CE2 4.33Å; P253-F436 HydrophobicContact CG-CD2 4.07Å; P253-F436 HydrophobicContact CG-CE1 4.43Å; P253-F436 HydrophobicContact CG-CE2 3.26Å; P253-F436 HydrophobicContact CG-CZ 3.45Å; P253-F436 VanDerWaalsContact CG-CZ 3.45Å; L430-F436 HydrophobicContact CD1-CE2 4.33Å; L430-F436 HydrophobicContact CD2-CB 4.35Å; L430-F436 HydrophobicContact CD2-CD1 4.23Å; L430-F436 HydrophobicContact CD2-CD2 3.23Å; L430-F436 HydrophobicContact CD2-CE1 4.35Å; L430-F436 HydrophobicContact CD2-CE2 3.27Å; L430-F436 HydrophobicContact CD2-CG 3.7Å; L430-F436 HydrophobicContact CD2-CZ 3.9Å; L430-F436 HydrophobicContact CG-CD2 4.13Å; L430-F436 HydrophobicContact CG-CE2 3.85Å; F436-I456 HydrophobicContact CE1-CD1 4.5Å; F436-I456 HydrophobicContact CE1-CG1 4.42Å; F436-S457 WeakPolarHBondContact O-CA 3.17Å; F436-S457 VanDerWaalsContact O-CB 3.3Å; F436-S457 WeakPolarHBondContact O-CB 3.41Å; F436-Y458 HydrophobicContact CB-CD1 3.89Å; F436-Y458 HydrophobicContact CB-CD2 4.32Å; F436-Y458 HydrophobicContact CB-CE1 3.52Å; F436-Y458 HydrophobicContact CB-CE2 3.98Å; F436-Y458 HydrophobicContact CB-CG 4.27Å; F436-Y458 HydrophobicContact CD1-CD1 4Å; F436-Y458 AromaticContact CD1-CE1 3.82Å; F436-Y458 HydrophobicContact CD1-CE1 3.82Å; F436-Y458 HydrophobicContact CG-CD1 4.29Å; F436-Y458 AromaticContact CG-CE1 3.81Å; F436-Y458 HydrophobicContact CG-CE1 3.81Å; F436-Y458 PolarHBondContact N-O 3.45Å; F436-Y458 PolarHBondContact O-N 3.37Å; F436-Y458 VanDerWaalsContact O-N 3.11Å
437W95.8Very high93.2Very high0 Ų054.2 Ų54.20%027%0.274CS..  trans-10684.5176-62.3-24.3000109.8T233 L238 F242 C244 T250 A251 I252 P253 I263 V435 L439T233-W437 HydrophobicContact CG2-CH2 3.78Å; T233-W437 HydrophobicContact CG2-CZ2 4.33Å; L238-W437 HydrophobicContact CB-CZ2 4.16Å; L238-W437 HydrophobicContact CD1-CD2 4.41Å; L238-W437 HydrophobicContact CD1-CE3 4Å; L238-W437 HydrophobicContact CD1-CH2 4.16Å; L238-W437 HydrophobicContact CD1-CZ2 4.48Å; L238-W437 HydrophobicContact CD1-CZ3 3.89Å; L238-W437 HydrophobicContact CD2-CB 4.43Å; L238-W437 HydrophobicContact CD2-CD2 3.6Å; L238-W437 HydrophobicContact CD2-CE3 3.97Å; L238-W437 HydrophobicContact CD2-CG 3.78Å; L238-W437 HydrophobicContact CD2-CZ2 4.39Å; L238-W437 HydrophobicContact CG-CD2 4.49Å; F242-W437 PolarHBondContact O-NE1 2.89Å; C244-W437 HydrophobicContact CB-CH2 4.33Å; C244-W437 HydrophobicContact CB-CZ2 3.94Å; T250-W437 HydrophobicContact CG2-CD2 3.54Å; T250-W437 HydrophobicContact CG2-CE3 3.56Å; T250-W437 HydrophobicContact CG2-CG 4.18Å; T250-W437 HydrophobicContact CG2-CH2 3.89Å; T250-W437 HydrophobicContact CG2-CZ2 3.93Å; T250-W437 HydrophobicContact CG2-CZ3 3.72Å; A251-W437 PolarHBondContact O-N 3.11Å; I252-W437 HydrophobicContact CD1-CE3 3.64Å; I252-W437 HydrophobicContact CD1-CZ3 3.92Å; I252-W437 HydrophobicContact CG1-CE3 3.67Å; I252-W437 HydrophobicContact CG1-CZ3 4.3Å; P253-W437 WeakPolarHBondContact CD-O 3.48Å; I263-W437 HydrophobicContact CG2-CZ3 4.42Å; V435-W437 HydrophobicContact CG1-CG 4.45Å; V435-W437 HydrophobicContact CG1-CZ2 4.27Å; W437-L439 PolarHBondContact O-N 2.91Å
438G94.4Very high93.2Very high0 Ų051.6 Ų51.60%025%0.254CS..  trans-70.3108.1-179.400000111.5N453 S457G438-N453 PolarHBondContact O-N 3.03Å; G438-S457 PolarHBondContact N-OG 3.2Å
439L93.4Very high93.1Very high5 Ų554.4 Ų54.43%0.02626%0.261CS..BIsolated β-bridgetrans-83.8128.1175.1-58.2179.3000111.1I252 P253 C258 K260 I263 W437 S451 V452I252-L439 HydrophobicContact CG2-CD1 3.62Å; I252-L439 HydrophobicContact CG2-CD2 4.47Å; I252-L439 HydrophobicContact CG2-CG 3.85Å; P253-L439 WeakPolarHBondContact O-CB 3.46Å; P253-L439 PolarHBondContact O-N 3.02Å; C258-L439 HydrophobicContact CB-CB 3.99Å; C258-L439 HydrophobicContact CB-CD1 4.15Å; K260-L439 HydrophobicContact CB-CD1 4.41Å; K260-L439 HydrophobicContact CG-CD1 3.52Å; I263-L439 HydrophobicContact CD1-CD1 4.23Å; I263-L439 HydrophobicContact CD1-CD2 3.71Å; W437-L439 PolarHBondContact O-N 2.91Å; L439-S451 CarbonylContact C-O 3.58Å; L439-S451 WeakPolarHBondContact CA-O 3.4Å; L439-V452 HydrophobicContact CD2-CB 4.41Å; L439-V452 HydrophobicContact CD2-CG2 3.69Å
440D90.9Very high93Very high38 Ų3854.9 Ų54.920%0.20326%0.264CS..  trans-100.3134.1179.1-178.714.7000112K442 L443 A444 S451 N453D440-K442 PolarHBondContact OD1-N 3.48Å; D440-L443 HydrophobicContact CB-CD1 4.26Å; D440-L443 HydrophobicContact CB-CG 4.44Å; D440-A444 PolarHBondContact O-N 2.81Å; D440-S451 PolarHBondContact N-O 3.17Å; D440-N453 HydrophobicContact CB-CB 3.78Å
441K90.6Very high93Very high108 Ų10852.8 Ų52.847%0.4725%0.253SS..Hα-helixtrans-69.2-32.4177-172.1174.2-179-177.70111.9A255 A444 Q445A255-K441 HydrophobicContact CB-CD 4.25Å; K441-A444 PolarHBondContact O-N 3.01Å; K441-Q445 HydrophobicContact CG-CG 4.47Å; K441-Q445 WeakPolarHBondContact O-CB 3.17Å; K441-Q445 VanDerWaalsContact O-CG 3.32Å; K441-Q445 WeakPolarHBondContact O-CG 3.12Å; K441-Q445 PolarHBondContact O-N 2.82Å
442K91.1Very high93.1Very high140 Ų14049.9 Ų49.961%0.60922%0.223SC*.Hα-helixtrans-64.4-43.3179.2-63.3178.1-179.3175.10111.3D440 Q445 R446D440-K442 PolarHBondContact OD1-N 3.48Å; K442-Q445 PolarHBondContact O-N 3.02Å; K442-R446 WeakPolarHBondContact O-CG 3.38Å; K442-R446 PolarHBondContact O-N 2.83Å
443L91.2Very high93Very high20 Ų2049.9 Ų49.911%0.10522%0.223CC..Hα-helixtrans-62.4-46.1175-71.5173.3000111.4D440 Q445 R446 K447 H448 V452 W454D440-L443 HydrophobicContact CB-CD1 4.26Å; D440-L443 HydrophobicContact CB-CG 4.44Å; L443-Q445 VanDerWaalsContact C-N 3.34Å; L443-Q445 PolarHBondContact O-N 3.04Å; L443-R446 CarbonylContact O-C 3.57Å; L443-R446 PolarHBondContact O-N 2.94Å; L443-R446 VanDerWaalsContact O-N 3.11Å; L443-K447 PolarHBondContact O-N 2.64Å; L443-H448 HydrophobicContact CB-CB 4.33Å; L443-H448 HydrophobicContact CD2-CB 4.21Å; L443-H448 PolarHBondContact O-N 2.97Å; L443-V452 WeakPolarHBondContact CD1-O 3.35Å; L443-W454 HydrophobicContact CD1-CE3 4.38Å; L443-W454 HydrophobicContact CD1-CH2 4.3Å; L443-W454 HydrophobicContact CD1-CZ3 3.82Å; L443-W454 HydrophobicContact CD2-CH2 3.87Å; L443-W454 HydrophobicContact CD2-CZ3 4.06Å
444A90.3Very high92.9Very high16 Ų1651.4 Ų51.413%0.13223%0.229CC..Hα-helixtrans-61.1-40.2177.300000112.7D440 K441 R446 K447 F449D440-A444 PolarHBondContact O-N 2.81Å; K441-A444 PolarHBondContact O-N 3.01Å; A444-R446 VanDerWaalsContact C-N 3.26Å; A444-R446 PolarHBondContact O-N 2.89Å; A444-K447 WeakPolarHBondContact O-CA 3.36Å; A444-K447 PolarHBondContact O-N 3.49Å; A444-F449 HydrophobicContact CB-CE1 4.35Å
445Q90.5Very high92.8Very high141 Ų14152.3 Ų52.366%0.65924%0.236SC*.Hα-helixtrans-63.6-31.1175.9-76.4177.5-14.400113K441 K442 L443 K447K441-Q445 HydrophobicContact CG-CG 4.47Å; K441-Q445 WeakPolarHBondContact O-CB 3.17Å; K441-Q445 VanDerWaalsContact O-CG 3.32Å; K441-Q445 WeakPolarHBondContact O-CG 3.12Å; K441-Q445 PolarHBondContact O-N 2.82Å; K442-Q445 PolarHBondContact O-N 3.02Å; L443-Q445 VanDerWaalsContact C-N 3.34Å; L443-Q445 PolarHBondContact O-N 3.04Å; Q445-K447 PolarHBondContact O-N 3.43Å
446R91.3Very high92.6Very high204 Ų20455.3 Ų55.377%0.7725%0.251SS*.THydrogen-bonded Turntrans-81.44.1173.3-66.3178.2-177.5179.61.2113.3K442 L443 A444 H448K442-R446 WeakPolarHBondContact O-CG 3.38Å; K442-R446 PolarHBondContact O-N 2.83Å; L443-R446 CarbonylContact O-C 3.57Å; L443-R446 PolarHBondContact O-N 2.94Å; L443-R446 VanDerWaalsContact O-N 3.11Å; A444-R446 VanDerWaalsContact C-N 3.26Å; A444-R446 PolarHBondContact O-N 2.89Å; R446-H448 PolarHBondContact O-N 3.47Å
447K91.4Very high92.5Very high160 Ų16055.2 Ų55.270%0.69625%0.252SS*.THydrogen-bonded Turntrans57.229-173.5-56.5-178.2177.4-179.20113.2L443 A444 Q445 F449 Q525L443-K447 PolarHBondContact O-N 2.64Å; A444-K447 WeakPolarHBondContact O-CA 3.36Å; A444-K447 PolarHBondContact O-N 3.49Å; Q445-K447 PolarHBondContact O-N 3.43Å; K447-F449 HydrophobicContact CB-CE2 4.35Å; K447-Q525 PolarHBondContact O-NE2 2.59Å
448H92Very high92.5Very high17 Ų1758.6 Ų58.68%0.07927%0.265CS..  trans-84.1113.4168.6-172.5-76.8000108.2L443 R446 S451 K520L443-H448 HydrophobicContact CB-CB 4.33Å; L443-H448 HydrophobicContact CD2-CB 4.21Å; L443-H448 PolarHBondContact O-N 2.97Å; R446-H448 PolarHBondContact O-N 3.47Å; H448-S451 WeakPolarHBondContact O-CB 3.23Å; H448-K520 PolarHBondContact NE2-O 2.95Å
449F91Very high92.6Very high84 Ų8459.1 Ų59.137%0.36827%0.269SS..SBendtrans-127.5143.2-178.8-69.5-68.7000110.3A444 K447 Q525 Q526A444-F449 HydrophobicContact CB-CE1 4.35Å; K447-F449 HydrophobicContact CB-CE2 4.35Å; F449-Q525 CarbonylContact O-C 3.51Å; F449-Q525 WeakPolarHBondContact O-CA 3.37Å; F449-Q525 WeakPolarHBondContact O-CG 3.29Å; F449-Q526 PolarHBondContact O-N 3.43Å; F449-Q526 VanDerWaalsContact O-O 3.1Å
450P92.3Very high92.7Very high12 Ų1264 Ų648%0.07829%0.29CS..SBendcis-65.6139.5-9.629.4-36.5000111.8V237 I263 V452V237-P450 HydrophobicContact CG1-CG 3.54Å; I263-P450 HydrophobicContact CD1-CB 4.36Å; P450-V452 HydrophobicContact CB-CG2 4.24Å; P450-V452 PolarHBondContact O-N 3.44Å
451S93.4Very high92.8Very high1 Ų164 Ų641%0.00729%0.287CS..  trans-82.849.6-171.166.50000112.5C258 L439 D440 H448C258-S451 PolarHBondContact O-OG 3.11Å; L439-S451 CarbonylContact C-O 3.58Å; L439-S451 WeakPolarHBondContact CA-O 3.4Å; D440-S451 PolarHBondContact N-O 3.17Å; H448-S451 WeakPolarHBondContact O-CB 3.23Å
452V94.8Very high92.8Very high2 Ų260.3 Ų60.31%0.01227%0.273CS..BIsolated β-bridgetrans-83.1125.2-180-179.10000108.8V237 L238 F242 L439 L443 P450 W454V237-V452 HydrophobicContact CG1-CB 4.36Å; V237-V452 HydrophobicContact CG1-CG2 4.1Å; V237-V452 HydrophobicContact CG2-CB 4.22Å; V237-V452 HydrophobicContact CG2-CG1 4.25Å; L238-V452 HydrophobicContact CD2-CG2 3.82Å; F242-V452 HydrophobicContact CD2-CG1 4.26Å; F242-V452 HydrophobicContact CE2-CG1 4.25Å; L439-V452 HydrophobicContact CD2-CB 4.41Å; L439-V452 HydrophobicContact CD2-CG2 3.69Å; L443-V452 WeakPolarHBondContact CD1-O 3.35Å; P450-V452 HydrophobicContact CB-CG2 4.24Å; P450-V452 PolarHBondContact O-N 3.44Å; V452-W454 PolarHBondContact O-N 2.81Å
453N94.4Very high92.8Very high27 Ų2764.1 Ų64.114%0.14428%0.284CS..  trans-81.7112.9172178.5-26.5000109.4G438 D440 L455 I456 S457G438-N453 PolarHBondContact O-N 3.03Å; D440-N453 HydrophobicContact CB-CB 3.78Å; N453-L455 VanDerWaalsContact C-N 3.3Å; N453-L455 PolarHBondContact O-N 2.94Å; N453-L455 WeakPolarHBondContact OD1-CB 3.31Å; N453-L455 PolarHBondContact OD1-N 3.44Å; N453-I456 HydrophobicContact CB-CD1 3.8Å; N453-I456 HydrophobicContact CB-CG1 3.71Å; N453-I456 PolarHBondContact OD1-N 3.24Å; N453-S457 WeakPolarHBondContact O-CB 3.05Å; N453-S457 PolarHBondContact O-N 3.42Å; N453-S457 PolarHBondContact O-OG 3.02Å
454W94.1Very high92.8Very high33 Ų3365.4 Ų65.413%0.12530%0.297CS..THydrogen-bonded Turntrans-76.1-11.6-176.350.881.1000114.5L241 F242 L443 V452 L487 K520 L524L241-W454 HydrophobicContact CD1-CB 4.08Å; F242-W454 HydrophobicContact CE2-CB 4.22Å; F242-W454 HydrophobicContact CZ-CB 4.18Å; F242-W454 WeakPolarHBondContact CZ-O 3.41Å; L443-W454 HydrophobicContact CD1-CE3 4.38Å; L443-W454 HydrophobicContact CD1-CH2 4.3Å; L443-W454 HydrophobicContact CD1-CZ3 3.82Å; L443-W454 HydrophobicContact CD2-CH2 3.87Å; L443-W454 HydrophobicContact CD2-CZ3 4.06Å; V452-W454 PolarHBondContact O-N 2.81Å; W454-L487 HydrophobicContact CB-CD1 4.49Å; W454-L487 HydrophobicContact CG-CD1 4.2Å; W454-K520 HydrophobicContact CH2-CD 3.62Å; W454-K520 HydrophobicContact CH2-CG 3.83Å; W454-K520 HydrophobicContact CZ2-CD 3.49Å; W454-K520 VanDerWaalsContact CZ2-CD 3.49Å; W454-K520 HydrophobicContact CZ2-CG 3.95Å; W454-L524 HydrophobicContact CD2-CD1 3.91Å; W454-L524 HydrophobicContact CE3-CD1 3.57Å; W454-L524 HydrophobicContact CH2-CD1 4.44Å; W454-L524 HydrophobicContact CZ3-CD1 3.85Å
455L92.6Very high93Very high81 Ų8164.6 Ų64.642%0.42429%0.291SS..THydrogen-bonded Turntrans-86.6-41.1178.2-60.4173.1000111.7N453 E491N453-L455 VanDerWaalsContact C-N 3.3Å; N453-L455 PolarHBondContact O-N 2.94Å; N453-L455 WeakPolarHBondContact OD1-CB 3.31Å; N453-L455 PolarHBondContact OD1-N 3.44Å; L455-E491 HydrophobicContact CD1-CB 4.14Å; L455-E491 HydrophobicContact CD1-CG 3.79Å
456I92.6Very high93Very high63 Ų6360 Ų6032%0.32327%0.271SS..THydrogen-bonded Turntrans-88.4-25.1-178.468.1178.1000113.2F421 F436 N453F421-I456 HydrophobicContact CD2-CD1 4.44Å; F421-I456 HydrophobicContact CE2-CD1 3.39Å; F421-I456 HydrophobicContact CZ-CD1 3.76Å; F436-I456 HydrophobicContact CE1-CD1 4.5Å; F436-I456 HydrophobicContact CE1-CG1 4.42Å; N453-I456 HydrophobicContact CB-CD1 3.8Å; N453-I456 HydrophobicContact CB-CG1 3.71Å; N453-I456 PolarHBondContact OD1-N 3.24Å
457S95.2Very high93.1Very high8 Ų857.5 Ų57.56%0.05627%0.268CS..  trans-71.5147.5-177.3-64.70000110.3F242 F436 G438 N453F242-S457 WeakPolarHBondContact CE1-O 3.24Å; F436-S457 WeakPolarHBondContact O-CA 3.17Å; F436-S457 VanDerWaalsContact O-CB 3.3Å; F436-S457 WeakPolarHBondContact O-CB 3.41Å; G438-S457 PolarHBondContact N-OG 3.2Å; N453-S457 WeakPolarHBondContact O-CB 3.05Å; N453-S457 PolarHBondContact O-N 3.42Å; N453-S457 PolarHBondContact O-OG 3.02Å
458Y95.3Very high93.2Very high70 Ų7052.1 Ų52.128%0.27524%0.243SC..EExtended strand (participates in β ladder)trans-149.9158.3179.364.7-96.6000111.8L430 F436 K460L430-Y458 HydrophobicContact CD2-CE1 3.93Å; L430-Y458 VanDerWaalsContact CD2-OH 3.22Å; L430-Y458 WeakPolarHBondContact CD2-OH 3.46Å; L430-Y458 PolarHBondContact O-OH 3.22Å; F436-Y458 HydrophobicContact CB-CD1 3.89Å; F436-Y458 HydrophobicContact CB-CD2 4.32Å; F436-Y458 HydrophobicContact CB-CE1 3.52Å; F436-Y458 HydrophobicContact CB-CE2 3.98Å; F436-Y458 HydrophobicContact CB-CG 4.27Å; F436-Y458 HydrophobicContact CD1-CD1 4Å; F436-Y458 AromaticContact CD1-CE1 3.82Å; F436-Y458 HydrophobicContact CD1-CE1 3.82Å; F436-Y458 HydrophobicContact CG-CD1 4.29Å; F436-Y458 AromaticContact CG-CE1 3.81Å; F436-Y458 HydrophobicContact CG-CE1 3.81Å; F436-Y458 PolarHBondContact N-O 3.45Å; F436-Y458 PolarHBondContact O-N 3.37Å; F436-Y458 VanDerWaalsContact O-N 3.11Å; Y458-K460 HydrophobicContact CD2-CG 4.44Å
459S96Very high93.3Very high12 Ų1251.4 Ų51.48%0.08424%0.24CC..EExtended strand (participates in β ladder)trans-138.1122.1171.91750000110.2P243 Y461 T462P243-S459 PolarHBondContact O-OG 3.14Å; S459-Y461 VanDerWaalsContact C-N 3.32Å; S459-Y461 PolarHBondContact OG-N 2.71Å; S459-T462 PolarHBondContact O-OG1 3.47Å
460K95.1Very high93.4Very high107 Ų10752.2 Ų52.247%0.46525%0.248SC..THydrogen-bonded Turntrans-79.4-14.5175.7-66.2173.1-176.4162.50112.8Q434 Y458 T462Q434-K460 HydrophobicContact CB-CB 4.4Å; Q434-K460 WeakPolarHBondContact O-CB 3.2Å; Q434-K460 PolarHBondContact O-N 3.24Å; Y458-K460 HydrophobicContact CD2-CG 4.44Å; K460-T462 PolarHBondContact O-N 3.21Å
461Y94.3Very high93.5Very high38 Ų3859.9 Ų59.915%0.14928%0.28CS..THydrogen-bonded Turntrans-77.5-2.7178.8-65.4-59.9000114.5V245 T249 Q434 V435 S459 R463 A464 L465V245-Y461 HydrophobicContact CB-CG 4.5Å; V245-Y461 HydrophobicContact CG1-CD1 4.28Å; V245-Y461 HydrophobicContact CG1-CD2 4.32Å; V245-Y461 HydrophobicContact CG1-CG 3.89Å; V245-Y461 HydrophobicContact CG2-CD1 3.76Å; V245-Y461 HydrophobicContact CG2-CD2 3.79Å; V245-Y461 HydrophobicContact CG2-CE1 3.77Å; V245-Y461 HydrophobicContact CG2-CE2 3.8Å; V245-Y461 HydrophobicContact CG2-CG 3.78Å; T249-Y461 PolarHBondContact N-OH 2.87Å; Q434-Y461 HydrophobicContact CB-CD2 4.08Å; Q434-Y461 HydrophobicContact CB-CE1 4.11Å; Q434-Y461 HydrophobicContact CB-CE2 3.33Å; Q434-Y461 WeakPolarHBondContact CB-OH 3.38Å; Q434-Y461 HydrophobicContact CG-CE1 4.22Å; Q434-Y461 HydrophobicContact CG-CE2 4.18Å; Q434-Y461 VanDerWaalsContact CG-OH 3.25Å; Q434-Y461 WeakPolarHBondContact CG-OH 3.42Å; V435-Y461 HydrophobicContact CG2-CD2 3.36Å; V435-Y461 HydrophobicContact CG2-CE2 3.66Å; S459-Y461 VanDerWaalsContact C-N 3.32Å; S459-Y461 PolarHBondContact OG-N 2.71Å; Y461-R463 VanDerWaalsContact C-N 3.3Å; Y461-R463 PolarHBondContact O-N 3.35Å; Y461-A464 PolarHBondContact O-N 2.99Å; Y461-L465 PolarHBondContact O-N 3.17Å; Y461-L465 VanDerWaalsContact O-N 3.07Å
462T89.4Confident93.4Very high30 Ų3064.5 Ų64.518%0.18430%0.302CS..Hα-helixtrans-48.3-51.1179.6-58.10000112S459 K460 A464 L465 D466S459-T462 PolarHBondContact O-OG1 3.47Å; K460-T462 PolarHBondContact O-N 3.21Å; T462-A464 PolarHBondContact O-N 3.04Å; T462-L465 PolarHBondContact O-N 2.86Å; T462-D466 VanDerWaalsContact O-CG 3.28Å; T462-D466 PolarHBondContact O-N 3.29Å; T462-D466 VanDerWaalsContact O-OD1 3.05Å
463R91.1Very high93.4Very high221 Ų22166.4 Ų66.483%0.83431%0.31SS*.Hα-helixtrans-66.1-34.1179.3-76.6-175.7148.2179-5.7114.5Y461 L465 D466Y461-R463 VanDerWaalsContact C-N 3.3Å; Y461-R463 PolarHBondContact O-N 3.35Å; R463-L465 VanDerWaalsContact C-N 3.27Å; R463-D466 WeakPolarHBondContact CA-OD2 3.44Å
464A92.1Very high93.2Very high46 Ų4669.2 Ų69.238%0.3833%0.33SS..Hα-helixtrans-72.8-25179.900000112Y461 T462Y461-A464 PolarHBondContact O-N 2.99Å; T462-A464 PolarHBondContact O-N 3.04Å
465L93.4Very high93.1Very high0 Ų072.7 Ų72.70%035%0.347CS..Hα-helixtrans-91.6-12.3179.5-74.9175000113.9P230 P243 V245 Y461 T462 R463 E467 Y468 Y469P230-L465 HydrophobicContact CB-CD1 4.35Å; P230-L465 HydrophobicContact CB-CD2 3.94Å; P230-L465 HydrophobicContact CG-CD2 4.32Å; P243-L465 HydrophobicContact CB-CD1 3.65Å; P243-L465 HydrophobicContact CG-CD1 3.8Å; V245-L465 HydrophobicContact CG1-CD1 3.73Å; V245-L465 HydrophobicContact CG1-CD2 3.75Å; V245-L465 HydrophobicContact CG1-CG 3.68Å; Y461-L465 PolarHBondContact O-N 3.17Å; Y461-L465 VanDerWaalsContact O-N 3.07Å; T462-L465 PolarHBondContact O-N 2.86Å; R463-L465 VanDerWaalsContact C-N 3.27Å; L465-E467 VanDerWaalsContact C-N 3.28Å; L465-E467 PolarHBondContact O-N 3.42Å; L465-Y468 WeakPolarHBondContact O-CB 3.3Å; L465-Y468 PolarHBondContact O-N 2.98Å; L465-Y469 HydrophobicContact CB-CD2 3.91Å; L465-Y469 HydrophobicContact CB-CE2 3.52Å; L465-Y469 HydrophobicContact CD1-CE2 4.15Å; L465-Y469 HydrophobicContact CG-CE2 4.41Å; L465-Y469 WeakPolarHBondContact O-CD2 3.25Å; L465-Y469 PolarHBondContact O-N 3.21Å
466D91.8Very high93.2Very high43 Ų4368.9 Ų68.923%0.2333%0.327CS..Hα-helixtrans-58.2-40.9-179.2-68-25.5000110.9T462 R463 Y468 Y469 D470 R480T462-D466 VanDerWaalsContact O-CG 3.28Å; T462-D466 PolarHBondContact O-N 3.29Å; T462-D466 VanDerWaalsContact O-OD1 3.05Å; R463-D466 WeakPolarHBondContact CA-OD2 3.44Å; D466-Y468 VanDerWaalsContact C-N 3.32Å; D466-Y468 PolarHBondContact O-N 3.36Å; D466-Y469 PolarHBondContact O-N 3.4Å; D466-D470 WeakPolarHBondContact O-CB 3.49Å; D466-D470 VanDerWaalsContact O-CG 3.25Å; D466-D470 PolarHBondContact O-N 2.93Å; D466-R480 IonicContact OD1-NH2 2.59Å; D466-R480 PolarHBondContact OD1-NH2 3.42Å
467E93.1Very high93.3Very high152 Ų15267.3 Ų67.371%0.7132%0.321SS*.Hα-helixtrans-60.7-38.4175.1-173.4-177.4176.600112.9L465 K471L465-E467 VanDerWaalsContact C-N 3.28Å; L465-E467 PolarHBondContact O-N 3.42Å; E467-K471 PolarHBondContact O-N 3.21Å
468Y93.4Very high93.3Very high47 Ų4770.7 Ų70.718%0.18434%0.342CS..Hα-helixtrans-68-43.5176.3177.3-90.2000111.2H229 P230 L465 D466 K471 H472H229-Y468 AromaticContact CE1-CE2 3.73Å; H229-Y468 AromaticContact ND1-CE2 3.49Å; H229-Y468 WeakPolarHBondContact ND1-CE2 3.37Å; P230-Y468 HydrophobicContact CG-CD1 3.8Å; P230-Y468 HydrophobicContact CG-CE1 3.44Å; P230-Y468 VanDerWaalsContact CG-CE1 3.44Å; P230-Y468 HydrophobicContact CG-CE2 4.47Å; P230-Y468 HydrophobicContact CG-CG 4.45Å; L465-Y468 WeakPolarHBondContact O-CB 3.3Å; L465-Y468 PolarHBondContact O-N 2.98Å; D466-Y468 VanDerWaalsContact C-N 3.32Å; D466-Y468 PolarHBondContact O-N 3.36Å; Y468-K471 PolarHBondContact O-N 2.98Å; Y468-H472 AromaticContact CD2-CD2 3.81Å; Y468-H472 AromaticContact CE2-CD2 3.53Å; Y468-H472 AromaticContact CE2-NE2 3.83Å; Y468-H472 AromaticContact CZ-CD2 3.79Å; Y468-H472 PolarHBondContact O-CD2 3.13Å; Y468-H472 PolarHBondContact O-N 3.08Å; Y468-H472 VanDerWaalsContact O-N 3.16Å
469Y94.2Very high93.3Very high2 Ų268.2 Ų68.21%0.00833%0.334CS..Hα-helixtrans-69.1-40179.1-66.3-49.9000112L465 D466 K471 H472 F473 F476 V477 F538L465-Y469 HydrophobicContact CB-CD2 3.91Å; L465-Y469 HydrophobicContact CB-CE2 3.52Å; L465-Y469 HydrophobicContact CD1-CE2 4.15Å; L465-Y469 HydrophobicContact CG-CE2 4.41Å; L465-Y469 WeakPolarHBondContact O-CD2 3.25Å; L465-Y469 PolarHBondContact O-N 3.21Å; D466-Y469 PolarHBondContact O-N 3.4Å; Y469-K471 PolarHBondContact O-N 2.82Å; Y469-H472 PolarHBondContact O-N 2.78Å; Y469-F473 CarbonylContact O-C 3.54Å; Y469-F473 VanDerWaalsContact O-CA 3.28Å; Y469-F473 WeakPolarHBondContact O-CA 3.43Å; Y469-F473 PolarHBondContact O-N 2.96Å; Y469-F473 VanDerWaalsContact O-O 3.11Å; Y469-F476 AromaticContact CD1-CD1 3.84Å; Y469-F476 HydrophobicContact CD1-CD1 3.84Å; Y469-F476 HydrophobicContact CD1-CE1 4.35Å; Y469-F476 HydrophobicContact CD2-CD1 4.06Å; Y469-F476 HydrophobicContact CD2-CE1 4.25Å; Y469-F476 AromaticContact CE1-CD1 3.99Å; Y469-F476 HydrophobicContact CE1-CD1 3.99Å; Y469-F476 HydrophobicContact CE1-CE1 4.07Å; Y469-F476 HydrophobicContact CE2-CD1 4.18Å; Y469-F476 AromaticContact CE2-CE1 3.93Å; Y469-F476 HydrophobicContact CE2-CE1 3.93Å; Y469-F476 AromaticContact CG-CD1 3.89Å; Y469-F476 HydrophobicContact CG-CD1 3.89Å; Y469-F476 HydrophobicContact CG-CE1 4.46Å; Y469-F476 AromaticContact CZ-CE1 3.83Å; Y469-V477 HydrophobicContact CD2-CG2 4.32Å; Y469-F538 HydrophobicContact CD1-CE1 4.03Å; Y469-F538 AromaticContact CD1-CZ 3.97Å; Y469-F538 HydrophobicContact CD1-CZ 3.97Å; Y469-F538 AromaticContact CE1-CE1 3.74Å; Y469-F538 HydrophobicContact CE1-CE1 3.74Å; Y469-F538 HydrophobicContact CE1-CE2 4.1Å; Y469-F538 AromaticContact CE1-CZ 3.31Å; Y469-F538 HydrophobicContact CE1-CZ 3.31Å
470D92.8Very high93.2Very high101 Ų10168.1 Ų68.154%0.5433%0.332SS..Hα-helixtrans-60.2-34.9177.3-72.2-19.7000112.1D466D466-D470 WeakPolarHBondContact O-CB 3.49Å; D466-D470 VanDerWaalsContact O-CG 3.25Å; D466-D470 PolarHBondContact O-N 2.93Å
471K94.1Very high93.2Very high173 Ų17366.8 Ų66.875%0.75233%0.333SS*.Hα-helixtrans-75.8-38178.3-174175-178.7-179.20113.7E467 Y468 Y469E467-K471 PolarHBondContact O-N 3.21Å; Y468-K471 PolarHBondContact O-N 2.98Å; Y469-K471 PolarHBondContact O-N 2.82Å
472H92.6Very high93.3Very high99 Ų9968.4 Ų68.446%0.45834%0.34SS..Hα-helixtrans-106.9-35.1-171-72.1-75.6000114.4Y468 Y469Y468-H472 AromaticContact CD2-CD2 3.81Å; Y468-H472 AromaticContact CE2-CD2 3.53Å; Y468-H472 AromaticContact CE2-NE2 3.83Å; Y468-H472 AromaticContact CZ-CD2 3.79Å; Y468-H472 PolarHBondContact O-CD2 3.13Å; Y468-H472 PolarHBondContact O-N 3.08Å; Y468-H472 VanDerWaalsContact O-N 3.16Å; Y469-H472 PolarHBondContact O-N 2.78Å
473F93.2Very high93.6Very high41 Ų4167 Ų6718%0.1833%0.332CS..  trans-145.468.4-173.7-59.8-81000111Y469 E475 F476 F538 V542Y469-F473 CarbonylContact O-C 3.54Å; Y469-F473 VanDerWaalsContact O-CA 3.28Å; Y469-F473 WeakPolarHBondContact O-CA 3.43Å; Y469-F473 PolarHBondContact O-N 2.96Å; Y469-F473 VanDerWaalsContact O-O 3.11Å; F473-E475 PolarHBondContact O-N 2.95Å; F473-E475 VanDerWaalsContact O-N 3.15Å; F473-F476 HydrophobicContact CB-CB 4.04Å; F473-F476 WeakPolarHBondContact O-CB 3.41Å; F473-F476 PolarHBondContact O-N 2.99Å; F473-F538 HydrophobicContact CB-CE1 4.19Å; F473-F538 HydrophobicContact CD1-CD1 4.19Å; F473-F538 HydrophobicContact CD1-CE1 4.35Å; F473-F538 AromaticContact CD2-CD1 3.49Å; F473-F538 HydrophobicContact CD2-CD1 3.49Å; F473-F538 VanDerWaalsContact CD2-CD1 3.49Å; F473-F538 AromaticContact CD2-CE1 3.51Å; F473-F538 HydrophobicContact CD2-CE1 3.51Å; F473-F538 HydrophobicContact CE1-CD1 4.1Å; F473-F538 AromaticContact CE2-CD1 3.4Å; F473-F538 HydrophobicContact CE2-CD1 3.4Å; F473-F538 VanDerWaalsContact CE2-CD1 3.4Å; F473-F538 AromaticContact CE2-CE1 3.95Å; F473-F538 HydrophobicContact CE2-CE1 3.95Å; F473-F538 HydrophobicContact CE2-CG 4.46Å; F473-F538 AromaticContact CG-CD1 3.9Å; F473-F538 HydrophobicContact CG-CD1 3.9Å; F473-F538 AromaticContact CG-CE1 3.75Å; F473-F538 HydrophobicContact CG-CE1 3.75Å; F473-F538 AromaticContact CZ-CD1 3.73Å; F473-F538 HydrophobicContact CZ-CD1 3.73Å; F473-V542 HydrophobicContact CD1-CG2 4.02Å; F473-V542 HydrophobicContact CG-CG2 4.34Å
474P91.8Very high93.8Very high87 Ų8759.9 Ų59.957%0.56531%0.307SS*.THydrogen-bonded Turntrans-62.2-27-171.524.1-34.8000113.7F476P474-F476 VanDerWaalsContact C-N 3.3Å; P474-F476 PolarHBondContact O-N 3.26Å
475E92.1Very high94Very high106 Ų10661.2 Ų61.250%0.49531%0.305SS..THydrogen-bonded Turntrans-74-16.8178.163.4-168.9-179.300113.8F473 P478 L479 V542F473-E475 PolarHBondContact O-N 2.95Å; F473-E475 VanDerWaalsContact O-N 3.15Å; E475-P478 WeakPolarHBondContact O-CD 3.48Å; E475-L479 HydrophobicContact CB-CD1 4.44Å; E475-L479 HydrophobicContact CG-CD1 4.31Å; E475-L479 WeakPolarHBondContact O-CD1 3.44Å; E475-L479 WeakPolarHBondContact O-CG 2.96Å; E475-L479 PolarHBondContact O-N 3.03Å; E475-V542 HydrophobicContact CG-CG1 3.93Å; E475-V542 WeakPolarHBondContact OE1-CG1 3.33Å
476F94.6Very high94.1Very high0 Ų061.2 Ų61.20%031%0.306CS..Hα-helixtrans-72.1-37.7-168.3173.9-110000114.2A240 Y469 F473 P474 L479 R480 F538 V542 L545A240-F476 HydrophobicContact CB-CE2 4.03Å; A240-F476 HydrophobicContact CB-CZ 4.03Å; A240-F476 WeakPolarHBondContact O-CZ 3.31Å; Y469-F476 AromaticContact CD1-CD1 3.84Å; Y469-F476 HydrophobicContact CD1-CD1 3.84Å; Y469-F476 HydrophobicContact CD1-CE1 4.35Å; Y469-F476 HydrophobicContact CD2-CD1 4.06Å; Y469-F476 HydrophobicContact CD2-CE1 4.25Å; Y469-F476 AromaticContact CE1-CD1 3.99Å; Y469-F476 HydrophobicContact CE1-CD1 3.99Å; Y469-F476 HydrophobicContact CE1-CE1 4.07Å; Y469-F476 HydrophobicContact CE2-CD1 4.18Å; Y469-F476 AromaticContact CE2-CE1 3.93Å; Y469-F476 HydrophobicContact CE2-CE1 3.93Å; Y469-F476 AromaticContact CG-CD1 3.89Å; Y469-F476 HydrophobicContact CG-CD1 3.89Å; Y469-F476 HydrophobicContact CG-CE1 4.46Å; Y469-F476 AromaticContact CZ-CE1 3.83Å; F473-F476 HydrophobicContact CB-CB 4.04Å; F473-F476 WeakPolarHBondContact O-CB 3.41Å; F473-F476 PolarHBondContact O-N 2.99Å; P474-F476 VanDerWaalsContact C-N 3.3Å; P474-F476 PolarHBondContact O-N 3.26Å; F476-L479 PolarHBondContact O-N 3.38Å; F476-R480 HydrophobicContact CE1-CB 4.49Å; F476-R480 HydrophobicContact CE2-CB 4.37Å; F476-R480 HydrophobicContact CZ-CB 4.12Å; F476-R480 HydrophobicContact CZ-CG 4.45Å; F476-R480 WeakPolarHBondContact O-CB 3.28Å; F476-R480 PolarHBondContact O-N 3.12Å; F476-F538 AromaticContact CD1-CZ 3.91Å; F476-F538 HydrophobicContact CD1-CZ 3.91Å; F476-F538 HydrophobicContact CD2-CZ 4.22Å; F476-F538 AromaticContact CE1-CZ 3.9Å; F476-F538 HydrophobicContact CE1-CZ 3.9Å; F476-F538 HydrophobicContact CE2-CZ 4.21Å; F476-F538 HydrophobicContact CG-CE1 4.43Å; F476-F538 HydrophobicContact CG-CZ 4.08Å; F476-F538 HydrophobicContact CZ-CZ 4.07Å; F476-V542 HydrophobicContact CB-CG2 4.24Å; F476-V542 HydrophobicContact CD2-CG2 3.86Å; F476-V542 HydrophobicContact CG-CG2 4.25Å; F476-L545 HydrophobicContact CD2-CD2 4.48Å; F476-L545 HydrophobicContact CE2-CD2 4.14Å
477V93.9Very high94.3Very high30 Ų3059.5 Ų59.518%0.18230%0.296CS..Hα-helixtrans-64.1-46.9-175.5172.20000112.2Y469 R480 T481Y469-V477 HydrophobicContact CD2-CG2 4.32Å; V477-R480 PolarHBondContact O-N 3.48Å; V477-T481 PolarHBondContact O-N 3.42Å; V477-T481 PolarHBondContact O-OG1 3.46Å
478P95.3Very high94.4Very high79 Ų7958 Ų5851%0.51329%0.289SS..Hα-helixtrans-58.4-45.2171.1-25.434.1000112.9E475 R480 T481 K482E475-P478 WeakPolarHBondContact O-CD 3.48Å; P478-R480 PolarHBondContact O-N 2.98Å; P478-T481 WeakPolarHBondContact O-CB 3.2Å; P478-T481 PolarHBondContact O-N 3.39Å; P478-T481 VanDerWaalsContact O-N 3.11Å; P478-K482 PolarHBondContact O-N 3.22Å
479L95.6Very high94.5Very high18 Ų1858.6 Ų58.69%0.09429%0.294CS..Hα-helixtrans-59.4-46.9-179.8-67.8173.4000111.7E475 F476 T481 K482 A483 V542 L545 I549E475-L479 HydrophobicContact CB-CD1 4.44Å; E475-L479 HydrophobicContact CG-CD1 4.31Å; E475-L479 WeakPolarHBondContact O-CD1 3.44Å; E475-L479 WeakPolarHBondContact O-CG 2.96Å; E475-L479 PolarHBondContact O-N 3.03Å; F476-L479 PolarHBondContact O-N 3.38Å; L479-T481 VanDerWaalsContact C-N 3.27Å; L479-T481 PolarHBondContact O-N 3.11Å; L479-K482 PolarHBondContact O-N 3.08Å; L479-A483 WeakPolarHBondContact O-CB 3.19Å; L479-A483 PolarHBondContact O-N 3.03Å; L479-V542 HydrophobicContact CD1-CG1 4.49Å; L479-L545 HydrophobicContact CB-CD2 3.91Å; L479-L545 HydrophobicContact CB-CG 4.16Å; L479-I549 HydrophobicContact CB-CD1 3.75Å; L479-I549 HydrophobicContact CD2-CB 3.81Å; L479-I549 HydrophobicContact CD2-CD1 3.65Å; L479-I549 HydrophobicContact CD2-CG1 4.28Å; L479-I549 HydrophobicContact CD2-CG2 3.91Å; L479-I549 HydrophobicContact CG-CD1 4.31Å; L479-I549 WeakPolarHBondContact O-CD1 3.25Å
480R94.6Very high94.5Very high11 Ų1159.5 Ų59.54%0.04230%0.298CS..Hα-helixtrans-58.9-40.4175.9-179.3-172.264.9-156.6-6.8112A240 L241 D466 F476 V477 P478 A483 K484A240-R480 WeakPolarHBondContact O-CD 3.39Å; L241-R480 HydrophobicContact CD2-CG 4.37Å; D466-R480 IonicContact OD1-NH2 2.59Å; D466-R480 PolarHBondContact OD1-NH2 3.42Å; F476-R480 HydrophobicContact CE1-CB 4.49Å; F476-R480 HydrophobicContact CE2-CB 4.37Å; F476-R480 HydrophobicContact CZ-CB 4.12Å; F476-R480 HydrophobicContact CZ-CG 4.45Å; F476-R480 WeakPolarHBondContact O-CB 3.28Å; F476-R480 PolarHBondContact O-N 3.12Å; V477-R480 PolarHBondContact O-N 3.48Å; P478-R480 PolarHBondContact O-N 2.98Å; R480-A483 PolarHBondContact O-N 3.43Å; R480-K484 WeakPolarHBondContact O-CG 3.2Å; R480-K484 PolarHBondContact O-N 2.91Å; R480-K484 VanDerWaalsContact O-N 3.12Å
481T94.7Very high94.5Very high79 Ų7959.2 Ų59.249%0.48529%0.294SS..Hα-helixtrans-64.9-47.7-179.3-54.60000110.5V477 P478 L479 A483 K484 E485V477-T481 PolarHBondContact O-N 3.42Å; V477-T481 PolarHBondContact O-OG1 3.46Å; P478-T481 WeakPolarHBondContact O-CB 3.2Å; P478-T481 PolarHBondContact O-N 3.39Å; P478-T481 VanDerWaalsContact O-N 3.11Å; L479-T481 VanDerWaalsContact C-N 3.27Å; L479-T481 PolarHBondContact O-N 3.11Å; T481-A483 PolarHBondContact O-N 2.72Å; T481-K484 PolarHBondContact O-N 2.66Å; T481-E485 PolarHBondContact O-N 3.5Å; T481-E485 VanDerWaalsContact O-N 3.08Å
482K95.6Very high94.5Very high71 Ų7155.5 Ų55.531%0.30928%0.282SS..Hα-helixtrans-62.5-41.8175.9-79.9-73.2169.5-156.10112.9P478 L479 K484 E485 I486 I549P478-K482 PolarHBondContact O-N 3.22Å; L479-K482 PolarHBondContact O-N 3.08Å; K482-K484 VanDerWaalsContact C-N 3.3Å; K482-K484 PolarHBondContact O-N 3.17Å; K482-E485 WeakPolarHBondContact CD-OE2 3.19Å; K482-E485 IonicContact NZ-OE1 2.81Å; K482-E485 IonicContact NZ-OE2 3.48Å; K482-E485 PolarHBondContact NZ-OE2 2.71Å; K482-E485 WeakPolarHBondContact O-CB 3.06Å; K482-E485 PolarHBondContact O-N 3.41Å; K482-I486 VanDerWaalsContact O-CG1 3.3Å; K482-I486 WeakPolarHBondContact O-CG1 3.28Å; K482-I486 PolarHBondContact O-N 2.89Å; K482-I549 HydrophobicContact CB-CD1 4.13Å; K482-I549 HydrophobicContact CB-CG2 4.23Å
483A95.6Very high94.5Very high2 Ų251.6 Ų51.62%0.01726%0.264CS..Hα-helixtrans-60.3-39.4176.400000112.7L479 R480 T481 L487 L545 I549L479-A483 WeakPolarHBondContact O-CB 3.19Å; L479-A483 PolarHBondContact O-N 3.03Å; R480-A483 PolarHBondContact O-N 3.43Å; T481-A483 PolarHBondContact O-N 2.72Å; A483-L487 VanDerWaalsContact O-CG 3.27Å; A483-L487 WeakPolarHBondContact O-CG 3.46Å; A483-L487 PolarHBondContact O-N 3.46Å; A483-L487 VanDerWaalsContact O-N 3.13Å; A483-L545 HydrophobicContact CB-CD1 3.97Å; A483-I549 HydrophobicContact CB-CD1 4.28Å
484K94.8Very high94.5Very high71 Ų7150.5 Ų50.531%0.30926%0.263SS..Hα-helixtrans-67.9-41.7176.2-74-173.8176.9-174.30112.2L241 R480 T481 K482 L487 Q488L241-K484 HydrophobicContact CD2-CG 4.03Å; L241-K484 WeakPolarHBondContact O-CE 3.5Å; L241-K484 PolarHBondContact O-NZ 2.96Å; R480-K484 WeakPolarHBondContact O-CG 3.2Å; R480-K484 PolarHBondContact O-N 2.91Å; R480-K484 VanDerWaalsContact O-N 3.12Å; T481-K484 PolarHBondContact O-N 2.66Å; K482-K484 VanDerWaalsContact C-N 3.3Å; K482-K484 PolarHBondContact O-N 3.17Å; K484-L487 PolarHBondContact O-N 3Å; K484-Q488 WeakPolarHBondContact O-CB 3.45Å; K484-Q488 PolarHBondContact O-N 2.94Å
485E96.1Very high94.4Very high73 Ų7352.6 Ų52.634%0.34127%0.265SS..Hα-helixtrans-58.8-50.7175.7-172178.9-165.400110.8T481 K482 L487 Q488 E489T481-E485 PolarHBondContact O-N 3.5Å; T481-E485 VanDerWaalsContact O-N 3.08Å; K482-E485 WeakPolarHBondContact CD-OE2 3.19Å; K482-E485 IonicContact NZ-OE1 2.81Å; K482-E485 IonicContact NZ-OE2 3.48Å; K482-E485 PolarHBondContact NZ-OE2 2.71Å; K482-E485 WeakPolarHBondContact O-CB 3.06Å; K482-E485 PolarHBondContact O-N 3.41Å; E485-L487 PolarHBondContact O-N 3.44Å; E485-Q488 PolarHBondContact O-N 3.26Å; E485-Q488 VanDerWaalsContact O-N 3.12Å; E485-E489 WeakPolarHBondContact O-CG 3.5Å; E485-E489 PolarHBondContact O-N 3.38Å
486I96Very high94.4Very high1 Ų151.6 Ų51.61%0.00526%0.262CS..Hα-helixtrans-59.2-43.3178.8-67.3165.2000111.9K482 Q488 E490 T512 V515 A516 L519 Y552K482-I486 VanDerWaalsContact O-CG1 3.3Å; K482-I486 WeakPolarHBondContact O-CG1 3.28Å; K482-I486 PolarHBondContact O-N 2.89Å; I486-Q488 VanDerWaalsContact C-N 3.3Å; I486-Q488 PolarHBondContact O-N 2.79Å; I486-E490 WeakPolarHBondContact O-CB 3.48Å; I486-E490 PolarHBondContact O-N 3.26Å; I486-T512 HydrophobicContact CG2-CG2 4.33Å; I486-V515 HydrophobicContact CD1-CG1 4.49Å; I486-V515 HydrophobicContact CG2-CG1 4.45Å; I486-A516 HydrophobicContact CG2-CB 3.92Å; I486-L519 HydrophobicContact CB-CD1 4.48Å; I486-L519 HydrophobicContact CG2-CD1 4.04Å; I486-Y552 HydrophobicContact CD1-CD1 3.69Å; I486-Y552 HydrophobicContact CD1-CD2 4.02Å; I486-Y552 HydrophobicContact CD1-CE1 3.9Å; I486-Y552 HydrophobicContact CD1-CE2 4.21Å; I486-Y552 HydrophobicContact CD1-CG 3.75Å; I486-Y552 HydrophobicContact CG1-CD1 4.36Å; I486-Y552 HydrophobicContact CG1-CD2 4.42Å; I486-Y552 HydrophobicContact CG1-CE1 4.06Å; I486-Y552 HydrophobicContact CG1-CE2 4.13Å
487L95.7Very high94.3Very high6 Ų653.4 Ų53.43%0.03127%0.273CS..Hα-helixtrans-68.8-29.5179.2-72.4170.1000112.8L241 W454 A483 K484 E485 K520 L524L241-L487 HydrophobicContact CD1-CD1 4.13Å; W454-L487 HydrophobicContact CB-CD1 4.49Å; W454-L487 HydrophobicContact CG-CD1 4.2Å; A483-L487 VanDerWaalsContact O-CG 3.27Å; A483-L487 WeakPolarHBondContact O-CG 3.46Å; A483-L487 PolarHBondContact O-N 3.46Å; A483-L487 VanDerWaalsContact O-N 3.13Å; K484-L487 PolarHBondContact O-N 3Å; E485-L487 PolarHBondContact O-N 3.44Å; L487-K520 HydrophobicContact CD2-CG 4.21Å; L487-L524 HydrophobicContact CD1-CD1 4.1Å; L487-L524 HydrophobicContact CD2-CD1 4.18Å
488Q95.3Very high94.2Very high120 Ų12059.9 Ų59.956%0.56130%0.301SS*.Hα-helixtrans-76.7-46.6176.4-174.2172.1-4.400111.1K484 E485 I486 E490 E491 D492K484-Q488 WeakPolarHBondContact O-CB 3.45Å; K484-Q488 PolarHBondContact O-N 2.94Å; E485-Q488 PolarHBondContact O-N 3.26Å; E485-Q488 VanDerWaalsContact O-N 3.12Å; I486-Q488 VanDerWaalsContact C-N 3.3Å; I486-Q488 PolarHBondContact O-N 2.79Å; Q488-E490 PolarHBondContact O-N 3.05Å; Q488-E491 PolarHBondContact O-N 3.33Å; Q488-E491 VanDerWaalsContact O-N 3.14Å; Q488-D492 PolarHBondContact O-N 2.94Å
489E95.1Very high94Very high60 Ų6062.9 Ų62.928%0.2831%0.312SS..Hα-helixtrans-58.1-36.3174.4-72.1-176.7172.500111.7E485 E491 D492 L493 T512E485-E489 WeakPolarHBondContact O-CG 3.5Å; E485-E489 PolarHBondContact O-N 3.38Å; E489-E491 PolarHBondContact O-N 3.49Å; E489-D492 PolarHBondContact O-N 2.89Å; E489-L493 WeakPolarHBondContact O-CB 3.43Å; E489-L493 WeakPolarHBondContact O-CG 3.31Å; E489-L493 PolarHBondContact O-N 3.07Å; E489-T512 HydrophobicContact CB-CG2 3.83Å
490E95.3Very high93.8Very high21 Ų2166.6 Ų66.610%0.09834%0.335CS..Hα-helixtrans-63.3-39176.8-174.1-104.416800113.3I486 Q488 L493 A494 L513 A516 K520I486-E490 WeakPolarHBondContact O-CB 3.48Å; I486-E490 PolarHBondContact O-N 3.26Å; Q488-E490 PolarHBondContact O-N 3.05Å; E490-L493 PolarHBondContact O-N 2.75Å; E490-A494 WeakPolarHBondContact O-CB 3.42Å; E490-A494 PolarHBondContact O-N 3.5Å; E490-L513 HydrophobicContact CB-CD2 4.49Å; E490-L513 HydrophobicContact CG-CD2 3.68Å; E490-A516 HydrophobicContact CB-CB 3.51Å; E490-A516 HydrophobicContact CG-CB 3.56Å; E490-K520 IonicContact OE1-NZ 2.62Å; E490-K520 PolarHBondContact OE1-NZ 2.86Å; E490-K520 IonicContact OE2-NZ 3.77Å; E490-K520 PolarHBondContact OE2-NZ 2.84Å
491E93Very high93.5Very high96 Ų9667.5 Ų67.545%0.44935%0.348SS..Hα-helixtrans-66.8-44.5178.7-172.869.4-168.700110.6L455 Q488 E489 L493 A494 E495L455-E491 HydrophobicContact CD1-CB 4.14Å; L455-E491 HydrophobicContact CD1-CG 3.79Å; Q488-E491 PolarHBondContact O-N 3.33Å; Q488-E491 VanDerWaalsContact O-N 3.14Å; E489-E491 PolarHBondContact O-N 3.49Å; E491-L493 VanDerWaalsContact C-N 3.31Å; E491-L493 PolarHBondContact O-N 3.08Å; E491-A494 PolarHBondContact O-N 2.83Å; E491-E495 PolarHBondContact O-N 3.39Å
492D93.1Very high93.2Very high94 Ų9468.4 Ų68.450%0.50335%0.345SS..Hα-helixtrans-59.5-43.4176.5-66.5-20.8000110.9Q488 E489 I496Q488-D492 PolarHBondContact O-N 2.94Å; E489-D492 PolarHBondContact O-N 2.89Å; D492-I496 WeakPolarHBondContact O-CG1 3.42Å; D492-I496 PolarHBondContact O-N 2.8Å
493L94.2Very high92.7Very high18 Ų1869.4 Ų69.49%0.09437%0.367CS..Hα-helixtrans-70.3-35.4176.6-70.1172.6000112.5E489 E490 E491 E495 I496 V497 L505 D509 T512 L513E489-L493 WeakPolarHBondContact O-CB 3.43Å; E489-L493 WeakPolarHBondContact O-CG 3.31Å; E489-L493 PolarHBondContact O-N 3.07Å; E490-L493 PolarHBondContact O-N 2.75Å; E491-L493 VanDerWaalsContact C-N 3.31Å; E491-L493 PolarHBondContact O-N 3.08Å; L493-E495 VanDerWaalsContact C-N 3.29Å; L493-E495 PolarHBondContact O-N 3.17Å; L493-I496 PolarHBondContact O-N 2.81Å; L493-V497 WeakPolarHBondContact O-CB 3.42Å; L493-V497 WeakPolarHBondContact O-CG2 3.33Å; L493-V497 PolarHBondContact O-N 3.38Å; L493-L505 HydrophobicContact CD2-CD2 4.22Å; L493-D509 HydrophobicContact CD1-CB 3.82Å; L493-D509 HydrophobicContact CD2-CB 3.89Å; L493-T512 HydrophobicContact CD1-CG2 4.17Å; L493-L513 HydrophobicContact CB-CD2 3.75Å; L493-L513 HydrophobicContact CB-CG 4.34Å; L493-L513 HydrophobicContact CD1-CD2 4.36Å; L493-L513 HydrophobicContact CD1-CG 4.33Å
494A91.8Very high92.3Very high18 Ų1873.8 Ų73.815%0.14940%0.398CS..Hα-helixtrans-64.3-35179.600000111.9E490 E491 Q498E490-A494 WeakPolarHBondContact O-CB 3.42Å; E490-A494 PolarHBondContact O-N 3.5Å; E491-A494 PolarHBondContact O-N 2.83Å; A494-Q498 WeakPolarHBondContact O-CG 3.44Å; A494-Q498 PolarHBondContact O-N 3.05Å; A494-Q498 VanDerWaalsContact O-N 3.13Å
495E90.6Very high92.1Very high131 Ų13171.3 Ų71.361%0.61239%0.388SS*.Hα-helixtrans-64.3-46.2172.6-171.1172.8-170.400111.2E491 L493 V497 Q498 L499E491-E495 PolarHBondContact O-N 3.39Å; L493-E495 VanDerWaalsContact C-N 3.29Å; L493-E495 PolarHBondContact O-N 3.17Å; E495-V497 VanDerWaalsContact C-N 3.35Å; E495-V497 PolarHBondContact O-N 3.18Å; E495-Q498 PolarHBondContact O-N 3.04Å; E495-L499 WeakPolarHBondContact O-CG 3.21Å; E495-L499 PolarHBondContact O-N 3.46Å
496I91.1Very high91.9Very high84 Ų8470.1 Ų70.143%0.43139%0.391SS..Hα-helixtrans-62.1-42.6176.7-63169.9000111.1D492 L493 Q498 L499 V500D492-I496 WeakPolarHBondContact O-CG1 3.42Å; D492-I496 PolarHBondContact O-N 2.8Å; L493-I496 PolarHBondContact O-N 2.81Å; I496-Q498 VanDerWaalsContact C-N 3.28Å; I496-Q498 PolarHBondContact O-N 2.92Å; I496-L499 PolarHBondContact O-N 2.85Å; I496-L499 VanDerWaalsContact O-N 3.13Å; I496-V500 HydrophobicContact CG2-CG2 4.49Å; I496-V500 PolarHBondContact O-N 3.34Å
497V93.3Very high91.6Very high38 Ų3872.5 Ų72.523%0.2340%0.401CS..Hα-helixtrans-59.9-39.4177.9172.60000111.3L493 E495 L499 G501 K502 L505 L513L493-V497 WeakPolarHBondContact O-CB 3.42Å; L493-V497 WeakPolarHBondContact O-CG2 3.33Å; L493-V497 PolarHBondContact O-N 3.38Å; E495-V497 VanDerWaalsContact C-N 3.35Å; E495-V497 PolarHBondContact O-N 3.18Å; V497-L499 VanDerWaalsContact C-N 3.29Å; V497-L499 PolarHBondContact O-N 3.43Å; V497-G501 WeakPolarHBondContact O-CA 3.48Å; V497-G501 PolarHBondContact O-N 3.49Å; V497-K502 HydrophobicContact CG1-CB 4.21Å; V497-L505 HydrophobicContact CG2-CD1 3.63Å; V497-L505 HydrophobicContact CG2-CG 4.47Å; V497-L513 HydrophobicContact CG2-CD1 3.84Å
498Q90.8Very high91.5Very high166 Ų16674.1 Ų74.178%0.77641%0.412SS*.Hα-helixtrans-67.6-30.3178.4-73.917633.200112.5A494 E495 I496A494-Q498 WeakPolarHBondContact O-CG 3.44Å; A494-Q498 PolarHBondContact O-N 3.05Å; A494-Q498 VanDerWaalsContact O-N 3.13Å; E495-Q498 PolarHBondContact O-N 3.04Å; I496-Q498 VanDerWaalsContact C-N 3.28Å; I496-Q498 PolarHBondContact O-N 2.92Å
499L91.4Very high91.4Very high142 Ų14270.6 Ų70.674%0.74340%0.397SS*.Hα-helixtrans-86.1-45.5-178.9-66.6173000113.4E495 I496 V497E495-L499 WeakPolarHBondContact O-CG 3.21Å; E495-L499 PolarHBondContact O-N 3.46Å; I496-L499 PolarHBondContact O-N 2.85Å; I496-L499 VanDerWaalsContact O-N 3.13Å; V497-L499 VanDerWaalsContact C-N 3.29Å; V497-L499 PolarHBondContact O-N 3.43Å
500V91.1Very high91.3Very high96 Ų9669.6 Ų69.658%0.58239%0.392SS*.Hα-helixtrans-108.8-24.8-168.7-175.10000112.5I496I496-V500 HydrophobicContact CG2-CG2 4.49Å; I496-V500 PolarHBondContact O-N 3.34Å
501G88.3Confident91.3Very high30 Ų3068.7 Ų68.731%0.30939%0.387SS..  trans94.2150.9-17600000114V497 A503V497-G501 WeakPolarHBondContact O-CA 3.48Å; V497-G501 PolarHBondContact O-N 3.49Å; G501-A503 PolarHBondContact O-N 2.97Å; G501-A503 VanDerWaalsContact O-N 3.14Å
502K88.1Confident91.4Very high98 Ų9864.3 Ų64.343%0.42637%0.367SS..G310 helixtrans-63.1-20.7-173.8-169.8175-179.8174.70114.5V497 S504 L505 E514V497-K502 HydrophobicContact CG1-CB 4.21Å; K502-S504 VanDerWaalsContact C-N 3.3Å; K502-S504 PolarHBondContact O-N 3.4Å; K502-L505 HydrophobicContact CG-CD1 4.31Å; K502-E514 IonicContact NZ-OE1 3.12Å; K502-E514 PolarHBondContact NZ-OE1 3.43Å
503A85.9Confident91.4Very high93 Ų9360.8 Ų60.877%0.76935%0.348SS*.G310 helixtrans-69.6-27.2-174.100000113.5G501 L505G501-A503 PolarHBondContact O-N 2.97Å; G501-A503 VanDerWaalsContact O-N 3.14Å; A503-L505 VanDerWaalsContact C-N 3.35Å
504S87.2Confident91.4Very high94 Ų9461.8 Ų61.866%0.65735%0.353SS*.G310 helixtrans-88.61.3-172.7-53.20000114.2K502K502-S504 VanDerWaalsContact C-N 3.3Å; K502-S504 PolarHBondContact O-N 3.4Å
505L90.4Very high91.6Very high19 Ų1961 Ų6110%0.09935%0.346CS..SBendtrans-79.4151.3-177-69.7174.4000112.7L493 V497 K502 A503 D509 K510 L513L493-L505 HydrophobicContact CD2-CD2 4.22Å; V497-L505 HydrophobicContact CG2-CD1 3.63Å; V497-L505 HydrophobicContact CG2-CG 4.47Å; K502-L505 HydrophobicContact CG-CD1 4.31Å; A503-L505 VanDerWaalsContact C-N 3.35Å; L505-D509 HydrophobicContact CB-CB 4.24Å; L505-D509 HydrophobicContact CD2-CB 4.25Å; L505-K510 HydrophobicContact CB-CG 4.11Å; L505-K510 VanDerWaalsContact O-CE 3.26Å; L505-K510 WeakPolarHBondContact O-CE 3.47Å; L505-L513 HydrophobicContact CD1-CD1 3.51Å
506A91.6Very high91.8Very high48 Ų4854.8 Ų54.840%0.39732%0.317SS..  trans-65.5158.1168.100000111T508 D509 K510A506-T508 VanDerWaalsContact C-N 3.29Å; A506-T508 PolarHBondContact O-N 2.71Å; A506-D509 PolarHBondContact O-N 3.41Å; A506-K510 WeakPolarHBondContact O-CG 3.42Å; A506-K510 PolarHBondContact O-N 3.18Å; A506-K510 VanDerWaalsContact O-N 3.11Å
507E91.3Very high92Very high50 Ų5055.9 Ų55.923%0.23432%0.318CS..Hα-helixtrans-65.6-32.9179.6-67.2-60.3129.600112.2K510 I511 V559 W571E507-K510 PolarHBondContact O-N 2.89Å; E507-K510 IonicContact OE1-NZ 2.7Å; E507-K510 PolarHBondContact OE1-NZ 3.04Å; E507-I511 WeakPolarHBondContact O-CG1 3.45Å; E507-I511 PolarHBondContact O-N 3.49Å; E507-I511 VanDerWaalsContact O-N 3.08Å; E507-V559 HydrophobicContact CB-CG1 3.75Å; E507-W571 PolarHBondContact OE2-N 2.77Å
508T92.8Very high92Very high40 Ų4055 Ų5525%0.24531%0.312CS..Hα-helixtrans-60.6-45.1172.948.80000111.8A506 K510 I511 T512 E560A506-T508 VanDerWaalsContact C-N 3.29Å; A506-T508 PolarHBondContact O-N 2.71Å; T508-K510 VanDerWaalsContact C-N 3.31Å; T508-K510 PolarHBondContact O-N 2.67Å; T508-I511 WeakPolarHBondContact O-CB 3.44Å; T508-I511 PolarHBondContact O-N 3.34Å; T508-I511 VanDerWaalsContact O-N 3.14Å; T508-T512 PolarHBondContact O-N 2.83Å; T508-T512 PolarHBondContact O-OG1 3.35Å; T508-E560 HydrophobicContact CG2-CG 4.24Å
509D94.1Very high92.2Very high47 Ų4747.2 Ų47.225%0.25128%0.276SS..Hα-helixtrans-66.5-37.3-179.4-54.9-13.5000110.7L493 L505 A506 I511 T512 L513L493-D509 HydrophobicContact CD1-CB 3.82Å; L493-D509 HydrophobicContact CD2-CB 3.89Å; L505-D509 HydrophobicContact CB-CB 4.24Å; L505-D509 HydrophobicContact CD2-CB 4.25Å; A506-D509 PolarHBondContact O-N 3.41Å; D509-I511 VanDerWaalsContact C-N 3.33Å; D509-I511 PolarHBondContact O-N 2.71Å; D509-T512 PolarHBondContact O-N 2.87Å; D509-L513 WeakPolarHBondContact O-CG 3.46Å; D509-L513 PolarHBondContact O-N 3.42Å
510K92.6Very high92.4Very high39 Ų3942.3 Ų42.317%0.1725%0.249CC..Hα-helixtrans-62.4-40.1173.8-68.5173.5-167.3167.50111.6L505 A506 E507 T508 E514 W571L505-K510 HydrophobicContact CB-CG 4.11Å; L505-K510 VanDerWaalsContact O-CE 3.26Å; L505-K510 WeakPolarHBondContact O-CE 3.47Å; A506-K510 WeakPolarHBondContact O-CG 3.42Å; A506-K510 PolarHBondContact O-N 3.18Å; A506-K510 VanDerWaalsContact O-N 3.11Å; E507-K510 PolarHBondContact O-N 2.89Å; E507-K510 IonicContact OE1-NZ 2.7Å; E507-K510 PolarHBondContact OE1-NZ 3.04Å; T508-K510 VanDerWaalsContact C-N 3.31Å; T508-K510 PolarHBondContact O-N 2.67Å; K510-E514 VanDerWaalsContact O-CG 3.28Å; K510-E514 WeakPolarHBondContact O-CG 3.45Å; K510-E514 PolarHBondContact O-N 3.41Å; K510-W571 HydrophobicContact CB-CB 4.45Å
511I94.1Very high92.4Very high1 Ų140.9 Ų40.91%0.00524%0.238CC..Hα-helixtrans-63.3-48.4174.7-68164.6000110.1E507 T508 D509 L513 E514 V515 Y552 A555 V559 W571E507-I511 WeakPolarHBondContact O-CG1 3.45Å; E507-I511 PolarHBondContact O-N 3.49Å; E507-I511 VanDerWaalsContact O-N 3.08Å; T508-I511 WeakPolarHBondContact O-CB 3.44Å; T508-I511 PolarHBondContact O-N 3.34Å; T508-I511 VanDerWaalsContact O-N 3.14Å; D509-I511 VanDerWaalsContact C-N 3.33Å; D509-I511 PolarHBondContact O-N 2.71Å; I511-L513 VanDerWaalsContact C-N 3.32Å; I511-L513 PolarHBondContact O-N 3.5Å; I511-E514 PolarHBondContact O-N 3.21Å; I511-E514 VanDerWaalsContact O-N 3.17Å; I511-V515 HydrophobicContact CG2-CG2 4.08Å; I511-V515 WeakPolarHBondContact O-CG2 3.43Å; I511-V515 PolarHBondContact O-N 2.99Å; I511-Y552 HydrophobicContact CG2-CD2 4.09Å; I511-Y552 HydrophobicContact CG2-CE2 4.34Å; I511-A555 HydrophobicContact CD1-CB 4.28Å; I511-A555 HydrophobicContact CG2-CB 4.05Å; I511-V559 HydrophobicContact CD1-CB 4.11Å; I511-V559 HydrophobicContact CD1-CG2 3.58Å; I511-W571 HydrophobicContact CG1-CB 4.44Å; I511-W571 HydrophobicContact CG1-CD2 4.43Å; I511-W571 HydrophobicContact CG1-CE3 3.8Å; I511-W571 HydrophobicContact CG1-CZ3 4.49Å
512T95.4Very high92.7Very high5 Ų540.2 Ų40.23%0.03123%0.227CC..Hα-helixtrans-55.4-46.9178-62.30000111.3I486 E489 L493 T508 D509 E514 A516I486-T512 HydrophobicContact CG2-CG2 4.33Å; E489-T512 HydrophobicContact CB-CG2 3.83Å; L493-T512 HydrophobicContact CD1-CG2 4.17Å; T508-T512 PolarHBondContact O-N 2.83Å; T508-T512 PolarHBondContact O-OG1 3.35Å; D509-T512 PolarHBondContact O-N 2.87Å; T512-E514 PolarHBondContact O-N 3.44Å; T512-A516 WeakPolarHBondContact O-CB 3.21Å; T512-A516 PolarHBondContact O-N 3.44Å
513L94.4Very high93Very high20 Ų2035.7 Ų35.711%0.10521%0.207CC..Hα-helixtrans-60.5-41.2178-71.1179.8000113.3E490 L493 V497 L505 D509 I511 K517E490-L513 HydrophobicContact CB-CD2 4.49Å; E490-L513 HydrophobicContact CG-CD2 3.68Å; L493-L513 HydrophobicContact CB-CD2 3.75Å; L493-L513 HydrophobicContact CB-CG 4.34Å; L493-L513 HydrophobicContact CD1-CD2 4.36Å; L493-L513 HydrophobicContact CD1-CG 4.33Å; V497-L513 HydrophobicContact CG2-CD1 3.84Å; L505-L513 HydrophobicContact CD1-CD1 3.51Å; D509-L513 WeakPolarHBondContact O-CG 3.46Å; D509-L513 PolarHBondContact O-N 3.42Å; I511-L513 VanDerWaalsContact C-N 3.32Å; I511-L513 PolarHBondContact O-N 3.5Å; L513-K517 WeakPolarHBondContact O-CB 3.47Å; L513-K517 PolarHBondContact O-N 2.89Å
514E93.8Very high93.4Very high39 Ų3931.4 Ų31.418%0.18217%0.171CC..Hα-helixtrans-78.3-38-176.1-64.8-75.9169.400112K502 K510 I511 T512 K517 L518 W571K502-E514 IonicContact NZ-OE1 3.12Å; K502-E514 PolarHBondContact NZ-OE1 3.43Å; K510-E514 VanDerWaalsContact O-CG 3.28Å; K510-E514 WeakPolarHBondContact O-CG 3.45Å; K510-E514 PolarHBondContact O-N 3.41Å; I511-E514 PolarHBondContact O-N 3.21Å; I511-E514 VanDerWaalsContact O-N 3.17Å; T512-E514 PolarHBondContact O-N 3.44Å; E514-K517 WeakPolarHBondContact O-CB 3.48Å; E514-K517 PolarHBondContact O-N 3.01Å; E514-L518 PolarHBondContact O-N 3.47Å; E514-W571 HydrophobicContact CB-CH2 3.93Å; E514-W571 HydrophobicContact CB-CZ2 3.43Å; E514-W571 VanDerWaalsContact CB-CZ2 3.43Å; E514-W571 HydrophobicContact CG-CZ2 3.65Å
515V95.4Very high93.7Very high1 Ų130.1 Ų30.11%0.00616%0.155CC..Hα-helixtrans-67.8-41.1172.2172.50000111I486 I511 K517 L518 L519 T548 F551 Y552I486-V515 HydrophobicContact CD1-CG1 4.49Å; I486-V515 HydrophobicContact CG2-CG1 4.45Å; I511-V515 HydrophobicContact CG2-CG2 4.08Å; I511-V515 WeakPolarHBondContact O-CG2 3.43Å; I511-V515 PolarHBondContact O-N 2.99Å; V515-K517 VanDerWaalsContact C-N 3.27Å; V515-K517 PolarHBondContact O-N 3.09Å; V515-L518 WeakPolarHBondContact O-CA 3.46Å; V515-L518 VanDerWaalsContact O-CB 3.29Å; V515-L518 WeakPolarHBondContact O-CB 3.49Å; V515-L518 PolarHBondContact O-N 3Å; V515-L518 VanDerWaalsContact O-N 3.1Å; V515-L519 PolarHBondContact O-N 3.22Å; V515-T548 HydrophobicContact CG1-CG2 4.28Å; V515-F551 HydrophobicContact CG2-CD1 4.01Å; V515-F551 HydrophobicContact CG2-CE1 4.12Å; V515-Y552 HydrophobicContact CB-CD2 3.99Å; V515-Y552 HydrophobicContact CG1-CD2 3.95Å; V515-Y552 HydrophobicContact CG1-CG 4.25Å; V515-Y552 HydrophobicContact CG2-CD2 3.95Å
516A95.6Very high93.9Very high0 Ų029.4 Ų29.40%015%0.151CC..Hα-helixtrans-61.9-37.9174.400000111.6I486 E490 T512 L519 K520I486-A516 HydrophobicContact CG2-CB 3.92Å; E490-A516 HydrophobicContact CB-CB 3.51Å; E490-A516 HydrophobicContact CG-CB 3.56Å; T512-A516 WeakPolarHBondContact O-CB 3.21Å; T512-A516 PolarHBondContact O-N 3.44Å; A516-L519 PolarHBondContact O-N 3.23Å; A516-K520 WeakPolarHBondContact O-CG 3.34Å; A516-K520 PolarHBondContact O-N 2.8Å
517K94.2Very high93.9Very high108 Ų10830.6 Ų30.647%0.4715%0.151SC..Hα-helixtrans-61.6-44171.1-174.3-176.5175.3-1700111.8L513 E514 V515 L519 K520 D521L513-K517 WeakPolarHBondContact O-CB 3.47Å; L513-K517 PolarHBondContact O-N 2.89Å; E514-K517 WeakPolarHBondContact O-CB 3.48Å; E514-K517 PolarHBondContact O-N 3.01Å; V515-K517 VanDerWaalsContact C-N 3.27Å; V515-K517 PolarHBondContact O-N 3.09Å; K517-L519 VanDerWaalsContact C-N 3.34Å; K517-L519 PolarHBondContact O-N 3.1Å; K517-K520 PolarHBondContact O-N 3Å; K517-K520 VanDerWaalsContact O-N 3.14Å; K517-D521 WeakPolarHBondContact CE-OD2 3.38Å; K517-D521 PolarHBondContact O-N 3.26Å
518L94.4Very high93.6Very high20 Ų2029.3 Ų29.311%0.10515%0.151CC..Hα-helixtrans-58.9-44.8175.5-163.669.4000111.5E514 V515 K520 D521 D522 T548 I585 S586E514-L518 PolarHBondContact O-N 3.47Å; V515-L518 WeakPolarHBondContact O-CA 3.46Å; V515-L518 VanDerWaalsContact O-CB 3.29Å; V515-L518 WeakPolarHBondContact O-CB 3.49Å; V515-L518 PolarHBondContact O-N 3Å; V515-L518 VanDerWaalsContact O-N 3.1Å; L518-K520 VanDerWaalsContact C-N 3.34Å; L518-K520 PolarHBondContact O-N 3.3Å; L518-D521 PolarHBondContact O-N 3.19Å; L518-D522 WeakPolarHBondContact CD1-OD2 3.36Å; L518-D522 WeakPolarHBondContact O-CB 3.41Å; L518-D522 PolarHBondContact O-N 2.61Å; L518-T548 HydrophobicContact CD2-CG2 4.23Å; L518-I585 HydrophobicContact CD1-CG2 4.37Å; L518-I585 HydrophobicContact CD2-CG2 3.57Å; L518-I585 HydrophobicContact CG-CG2 4.14Å; L518-S586 WeakPolarHBondContact CD1-OG 3.37Å
519L95.3Very high93.3Very high2 Ų236.3 Ų36.31%0.0117%0.174CC..Iπ-helixtrans-60-42.7173.8-74.7171.7000111.8I486 V515 A516 K517 F523 L524 L545 T548I486-L519 HydrophobicContact CB-CD1 4.48Å; I486-L519 HydrophobicContact CG2-CD1 4.04Å; V515-L519 PolarHBondContact O-N 3.22Å; A516-L519 PolarHBondContact O-N 3.23Å; K517-L519 VanDerWaalsContact C-N 3.34Å; K517-L519 PolarHBondContact O-N 3.1Å; L519-F523 HydrophobicContact CD2-CB 4.11Å; L519-F523 HydrophobicContact CD2-CD1 4.48Å; L519-F523 HydrophobicContact CD2-CG 4.39Å; L519-F523 CarbonylContact O-C 3.38Å; L519-F523 WeakPolarHBondContact O-CA 3.42Å; L519-F523 VanDerWaalsContact O-CB 3.3Å; L519-F523 WeakPolarHBondContact O-CB 3.49Å; L519-F523 PolarHBondContact O-N 3.49Å; L519-L524 WeakPolarHBondContact O-CG 3.42Å; L519-L524 PolarHBondContact O-N 3.35Å; L519-L545 HydrophobicContact CD2-CD1 3.96Å; L519-T548 HydrophobicContact CD2-CG2 3.57Å; L519-T548 HydrophobicContact CG-CG2 3.87Å
520K94.1Very high93Very high39 Ų3935.1 Ų35.117%0.1717%0.169CC..Iπ-helixtrans-65.7-45.2179.8-74.4-177.3-65-166.80113.1H448 W454 L487 E490 A516 K517 L518 L524 Q525H448-K520 PolarHBondContact NE2-O 2.95Å; W454-K520 HydrophobicContact CH2-CD 3.62Å; W454-K520 HydrophobicContact CH2-CG 3.83Å; W454-K520 HydrophobicContact CZ2-CD 3.49Å; W454-K520 VanDerWaalsContact CZ2-CD 3.49Å; W454-K520 HydrophobicContact CZ2-CG 3.95Å; L487-K520 HydrophobicContact CD2-CG 4.21Å; E490-K520 IonicContact OE1-NZ 2.62Å; E490-K520 PolarHBondContact OE1-NZ 2.86Å; E490-K520 IonicContact OE2-NZ 3.77Å; E490-K520 PolarHBondContact OE2-NZ 2.84Å; A516-K520 WeakPolarHBondContact O-CG 3.34Å; A516-K520 PolarHBondContact O-N 2.8Å; K517-K520 PolarHBondContact O-N 3Å; K517-K520 VanDerWaalsContact O-N 3.14Å; L518-K520 VanDerWaalsContact C-N 3.34Å; L518-K520 PolarHBondContact O-N 3.3Å; K520-L524 HydrophobicContact CG-CD1 4.16Å; K520-Q525 WeakPolarHBondContact O-CB 3.24Å; K520-Q525 PolarHBondContact O-N 2.79Å
521D92.4Very high92.7Very high65 Ų6537 Ų3735%0.34819%0.185SC..Iπ-helixtrans-84.1-32.1-172.4-66.6-15.2000112.6K517 L518 K589K517-D521 WeakPolarHBondContact CE-OD2 3.38Å; K517-D521 PolarHBondContact O-N 3.26Å; L518-D521 PolarHBondContact O-N 3.19Å; D521-K589 PolarHBondContact O-NZ 2.74Å; D521-K589 VanDerWaalsContact O-NZ 3.07Å
522D93.1Very high92.5Very high16 Ų1639.5 Ų39.59%0.08620%0.195CC..Iπ-helixtrans-108.6-34-173.6-64.7-39.9000114.6R236 L518 S586 K589R236-D522 PolarHBondContact NH1-O 3.4Å; L518-D522 WeakPolarHBondContact CD1-OD2 3.36Å; L518-D522 WeakPolarHBondContact O-CB 3.41Å; L518-D522 PolarHBondContact O-N 2.61Å; D522-S586 WeakPolarHBondContact OD2-CA 3.36Å; D522-S586 WeakPolarHBondContact OD2-CB 3.33Å; D522-S586 PolarHBondContact OD2-OG 3.1Å; D522-K589 IonicContact OD1-NZ 2.76Å; D522-K589 PolarHBondContact OD1-NZ 3.34Å
523F95Very high92.2Very high3 Ų339.5 Ų39.51%0.01320%0.195CC..Iπ-helixtrans-96.3-52.7-178.5-176.2-102.5000112.9R236 A240 L519 T541 I544 L545R236-F523 HydrophobicContact CB-CE2 4.41Å; R236-F523 HydrophobicContact CB-CZ 4.39Å; R236-F523 WeakPolarHBondContact CD-O 3.42Å; R236-F523 PolarHBondContact NE-O 2.86Å; A240-F523 HydrophobicContact CB-CE1 4.16Å; A240-F523 HydrophobicContact CB-CZ 3.8Å; L519-F523 HydrophobicContact CD2-CB 4.11Å; L519-F523 HydrophobicContact CD2-CD1 4.48Å; L519-F523 HydrophobicContact CD2-CG 4.39Å; L519-F523 CarbonylContact O-C 3.38Å; L519-F523 WeakPolarHBondContact O-CA 3.42Å; L519-F523 VanDerWaalsContact O-CB 3.3Å; L519-F523 WeakPolarHBondContact O-CB 3.49Å; L519-F523 PolarHBondContact O-N 3.49Å; F523-T541 HydrophobicContact CE2-CG2 3.75Å; F523-T541 HydrophobicContact CZ-CG2 3.74Å; F523-I544 HydrophobicContact CD2-CB 4.25Å; F523-I544 HydrophobicContact CD2-CG2 3.79Å; F523-L545 HydrophobicContact CD1-CD1 4.32Å; F523-L545 HydrophobicContact CD2-CD1 4.43Å; F523-L545 HydrophobicContact CE1-CD1 4.07Å; F523-L545 HydrophobicContact CE2-CB 3.89Å; F523-L545 HydrophobicContact CE2-CD1 4.18Å; F523-L545 HydrophobicContact CE2-CG 4.49Å; F523-L545 HydrophobicContact CG-CD1 4.5Å; F523-L545 HydrophobicContact CZ-CB 4.19Å; F523-L545 HydrophobicContact CZ-CD1 3.99Å; F523-L545 HydrophobicContact CZ-CD2 4.24Å; F523-L545 HydrophobicContact CZ-CG 4.37Å
524L94.9Very high91.9Very high3 Ų343.6 Ų43.62%0.01621%0.209CC..Iπ-helixtrans-76.9-37.4-175.4-61.4-179.6000112.6V237 L241 W454 L487 L519 K520V237-L524 HydrophobicContact CB-CD2 4Å; V237-L524 HydrophobicContact CG2-CD2 3.86Å; L241-L524 HydrophobicContact CD1-CD2 3.84Å; W454-L524 HydrophobicContact CD2-CD1 3.91Å; W454-L524 HydrophobicContact CE3-CD1 3.57Å; W454-L524 HydrophobicContact CH2-CD1 4.44Å; W454-L524 HydrophobicContact CZ3-CD1 3.85Å; L487-L524 HydrophobicContact CD1-CD1 4.1Å; L487-L524 HydrophobicContact CD2-CD1 4.18Å; L519-L524 WeakPolarHBondContact O-CG 3.42Å; L519-L524 PolarHBondContact O-N 3.35Å; K520-L524 HydrophobicContact CG-CD1 4.16Å
525Q93.9Very high91.7Very high67 Ų6744.8 Ų44.831%0.31321%0.213SC..  trans-74.1130.6176.8-160.7174.99.800110.2R236 K447 F449 K520R236-Q525 PolarHBondContact NH2-O 3.17Å; K447-Q525 PolarHBondContact O-NE2 2.59Å; F449-Q525 CarbonylContact O-C 3.51Å; F449-Q525 WeakPolarHBondContact O-CA 3.37Å; F449-Q525 WeakPolarHBondContact O-CG 3.29Å; K520-Q525 WeakPolarHBondContact O-CB 3.24Å; K520-Q525 PolarHBondContact O-N 2.79Å
526Q93.5Very high91.6Very high5 Ų544.8 Ų44.82%0.02321%0.214CC..  trans-143128.2-180-172.9170.7-24.500110.2G234 Q235 F449 D533G234-Q526 PolarHBondContact O-NE2 3.36Å; Q235-Q526 VanDerWaalsContact OE1-CD 3.29Å; F449-Q526 PolarHBondContact O-N 3.43Å; F449-Q526 VanDerWaalsContact O-O 3.1Å; Q526-D533 HydrophobicContact CG-CB 4.1Å; Q526-D533 WeakPolarHBondContact CG-O 3.45Å; Q526-D533 PolarHBondContact NE2-O 3.32Å
527N91.3Very high91.5Very high73 Ų7345.5 Ų45.539%0.3922%0.218SC..  trans-93106.7179-169.9-11.4000110.6Y529 T530 D533N527-Y529 PolarHBondContact O-N 2.85Å; N527-Y529 VanDerWaalsContact O-N 3.16Å; N527-Y529 WeakPolarHBondContact OD1-CD2 3.33Å; N527-Y529 PolarHBondContact OD1-N 3.02Å; N527-Y529 VanDerWaalsContact OD1-N 3.13Å; N527-T530 HydrophobicContact CB-CG2 4.12Å; N527-T530 WeakPolarHBondContact ND2-CG2 3.41Å; N527-T530 PolarHBondContact O-N 2.87Å; N527-T530 PolarHBondContact O-OG1 3.42Å; N527-T530 VanDerWaalsContact O-OG1 3.13Å; N527-D533 CarbonylContact O-C 3.43Å
528G85.6Confident91.5Very high23 Ų2341.1 Ų41.124%0.23720%0.199CC..THydrogen-bonded Turntrans-65.2-13.9-179.400000115.5R534G528-R534 VanDerWaalsContact O-CB 3.29Å; G528-R534 WeakPolarHBondContact O-CB 3.28Å
529Y85.4Confident91.5Very high187 Ų18741.9 Ų41.973%0.73320%0.201SC*.THydrogen-bonded Turntrans-95.5-14.6-176.7-56.2-65000114N527N527-Y529 PolarHBondContact O-N 2.85Å; N527-Y529 VanDerWaalsContact O-N 3.16Å; N527-Y529 WeakPolarHBondContact OD1-CD2 3.33Å; N527-Y529 PolarHBondContact OD1-N 3.02Å; N527-Y529 VanDerWaalsContact OD1-N 3.13Å
530T89.5Confident91.5Very high22 Ų2241.8 Ų41.814%0.13520%0.2CC..SBendtrans-86.7150.6-178.657.80000111.2N527 Y532 D533 R534N527-T530 HydrophobicContact CB-CG2 4.12Å; N527-T530 WeakPolarHBondContact ND2-CG2 3.41Å; N527-T530 PolarHBondContact O-N 2.87Å; N527-T530 PolarHBondContact O-OG1 3.42Å; N527-T530 VanDerWaalsContact O-OG1 3.13Å; T530-Y532 VanDerWaalsContact C-N 3.27Å; T530-Y532 HydrophobicContact CG2-CE1 4.14Å; T530-Y532 PolarHBondContact O-N 2.95Å; T530-D533 WeakPolarHBondContact OG1-CB 3.33Å; T530-R534 WeakPolarHBondContact O-CB 3.41Å; T530-R534 WeakPolarHBondContact O-CG 3.48Å; T530-R534 PolarHBondContact O-N 3.32Å
531P86.4Confident91.5Very high79 Ų7940 Ų4051%0.51319%0.192SC..THydrogen-bonded Turntrans-64.2-30.6-176.123.4-33.2000113.7R534P531-R534 PolarHBondContact O-NE 3.49Å
532Y88.3Confident91.7Very high53 Ų5337 Ų3721%0.20818%0.176CC..THydrogen-bonded Turntrans-93-23.6-174.457.4-98000114.7T530 K540 K589 F590T530-Y532 VanDerWaalsContact C-N 3.27Å; T530-Y532 HydrophobicContact CG2-CE1 4.14Å; T530-Y532 PolarHBondContact O-N 2.95Å; Y532-K540 PolarHBondContact O-NZ 3.1Å; Y532-K540 VanDerWaalsContact O-NZ 3.16Å; Y532-K589 WeakPolarHBondContact CD2-O 3.45Å; Y532-F590 HydrophobicContact CD2-CD1 4.33Å; Y532-F590 HydrophobicContact CE1-CD1 4.21Å; Y532-F590 AromaticContact CE2-CD1 3.58Å; Y532-F590 HydrophobicContact CE2-CD1 3.58Å; Y532-F590 HydrophobicContact CE2-CE1 4.13Å; Y532-F590 AromaticContact CZ-CD1 3.52Å; Y532-F590 AromaticContact CZ-CE1 3.94Å; Y532-F590 WeakPolarHBondContact OH-CE1 3.02Å
533D89.7Confident91.7Very high5 Ų536.8 Ų36.83%0.02718%0.178CC..THydrogen-bonded Turntrans-112.7-4.6-178.4-90.5-11.7000112.8R236 Q526 N527 T530 F535 K540R236-D533 IonicContact NH2-OD1 3.09Å; R236-D533 IonicContact NH2-OD2 2.89Å; Q526-D533 HydrophobicContact CG-CB 4.1Å; Q526-D533 WeakPolarHBondContact CG-O 3.45Å; Q526-D533 PolarHBondContact NE2-O 3.32Å; N527-D533 CarbonylContact O-C 3.43Å; T530-D533 WeakPolarHBondContact OG1-CB 3.33Å; D533-F535 PolarHBondContact O-N 3.46Å; D533-K540 IonicContact OD1-NZ 3.25Å
534R88.5Confident91.7Very high106 Ų10636.8 Ų36.840%0.418%0.179SC..SBendtrans-58.7-32.4172.866.8-172-179.9155.83.4113.4Y270 G528 T530 P531Y270-R534 WeakPolarHBondContact CD2-O 3.4Å; Y270-R534 HydrophobicContact CE1-CG 4.34Å; Y270-R534 HydrophobicContact CE2-CB 4.28Å; Y270-R534 WeakPolarHBondContact CE2-O 3.36Å; Y270-R534 WeakPolarHBondContact OH-CB 3.1Å; Y270-R534 WeakPolarHBondContact OH-CD 3.18Å; Y270-R534 WeakPolarHBondContact OH-CG 3.49Å; G528-R534 VanDerWaalsContact O-CB 3.29Å; G528-R534 WeakPolarHBondContact O-CB 3.28Å; T530-R534 WeakPolarHBondContact O-CB 3.41Å; T530-R534 WeakPolarHBondContact O-CG 3.48Å; T530-R534 PolarHBondContact O-N 3.32Å; P531-R534 PolarHBondContact O-NE 3.49Å
535F90.1Very high91.8Very high64 Ų6436.7 Ų36.728%0.28118%0.178SC..SBendtrans-141.2122.5176.9173.3-113.9000109.3G234 Y270 D533 P537G234-F535 VanDerWaalsContact CA-CD2 3.5Å; Y270-F535 VanDerWaalsContact CB-CD2 3.47Å; Y270-F535 HydrophobicContact CD1-CB 3.74Å; Y270-F535 HydrophobicContact CD1-CD2 4.24Å; Y270-F535 HydrophobicContact CD1-CG 4.14Å; Y270-F535 HydrophobicContact CD2-CB 4.33Å; Y270-F535 HydrophobicContact CE1-CB 4.06Å; Y270-F535 HydrophobicContact CG-CB 3.91Å; Y270-F535 AromaticContact CG-CD2 3.91Å; Y270-F535 HydrophobicContact CG-CD2 3.91Å; Y270-F535 HydrophobicContact CG-CG 4.21Å; D533-F535 PolarHBondContact O-N 3.46Å; F535-P537 HydrophobicContact CD1-CG 4.17Å; F535-P537 HydrophobicContact CE1-CB 4.4Å; F535-P537 HydrophobicContact CE1-CG 3.79Å
536C92.9Very high91.9Very high1 Ų134.7 Ų34.71%0.00717%0.171CC..  trans-108.3110.5175.1-170.50000109.7G234 R236 T541G234-C536 PolarHBondContact O-N 2.98Å; R236-C536 HydrophobicContact CG-CB 3.8Å; R236-C536 VanDerWaalsContact CG-SG 3.58Å; C536-T541 PolarHBondContact SG-OG1 3.06Å
537P93.2Very high92Very high14 Ų1434.7 Ų34.79%0.09117%0.171CC..  trans-58.9154.9172.7-23.933.2000112.2F535 Y539 K540 T541 P593F535-P537 HydrophobicContact CD1-CG 4.17Å; F535-P537 HydrophobicContact CE1-CB 4.4Å; F535-P537 HydrophobicContact CE1-CG 3.79Å; P537-Y539 HydrophobicContact CB-CD1 3.71Å; P537-Y539 HydrophobicContact CB-CE1 3.27Å; P537-Y539 HydrophobicContact CB-CE2 4.39Å; P537-Y539 HydrophobicContact CB-CG 4.43Å; P537-Y539 HydrophobicContact CG-CE1 3.92Å; P537-Y539 PolarHBondContact O-N 2.78Å; P537-K540 WeakPolarHBondContact O-CB 3.21Å; P537-K540 PolarHBondContact O-N 3.19Å; P537-K540 VanDerWaalsContact O-N 3.14Å; P537-T541 PolarHBondContact O-N 2.93Å; P537-T541 VanDerWaalsContact O-N 3.11Å; P537-T541 PolarHBondContact O-OG1 3.09Å; P537-P593 HydrophobicContact CG-CB 3.56Å; P537-P593 HydrophobicContact CG-CG 4.13Å
538F94.3Very high92.2Very high16 Ų1631.4 Ų31.47%0.0715%0.154CC..Hα-helixtrans-63.9-38.8-174.9-161.9-103.5000112.9L232 D239 Y469 F473 F476 K540 T541 V542L232-F538 HydrophobicContact CD2-CB 4.36Å; L232-F538 HydrophobicContact CD2-CD2 4.05Å; L232-F538 HydrophobicContact CD2-CG 4.43Å; D239-F538 HydrophobicContact CB-CD2 4.42Å; Y469-F538 HydrophobicContact CD1-CE1 4.03Å; Y469-F538 AromaticContact CD1-CZ 3.97Å; Y469-F538 HydrophobicContact CD1-CZ 3.97Å; Y469-F538 AromaticContact CE1-CE1 3.74Å; Y469-F538 HydrophobicContact CE1-CE1 3.74Å; Y469-F538 HydrophobicContact CE1-CE2 4.1Å; Y469-F538 AromaticContact CE1-CZ 3.31Å; Y469-F538 HydrophobicContact CE1-CZ 3.31Å; F473-F538 HydrophobicContact CB-CE1 4.19Å; F473-F538 HydrophobicContact CD1-CD1 4.19Å; F473-F538 HydrophobicContact CD1-CE1 4.35Å; F473-F538 AromaticContact CD2-CD1 3.49Å; F473-F538 HydrophobicContact CD2-CD1 3.49Å; F473-F538 VanDerWaalsContact CD2-CD1 3.49Å; F473-F538 AromaticContact CD2-CE1 3.51Å; F473-F538 HydrophobicContact CD2-CE1 3.51Å; F473-F538 HydrophobicContact CE1-CD1 4.1Å; F473-F538 AromaticContact CE2-CD1 3.4Å; F473-F538 HydrophobicContact CE2-CD1 3.4Å; F473-F538 VanDerWaalsContact CE2-CD1 3.4Å; F473-F538 AromaticContact CE2-CE1 3.95Å; F473-F538 HydrophobicContact CE2-CE1 3.95Å; F473-F538 HydrophobicContact CE2-CG 4.46Å; F473-F538 AromaticContact CG-CD1 3.9Å; F473-F538 HydrophobicContact CG-CD1 3.9Å; F473-F538 AromaticContact CG-CE1 3.75Å; F473-F538 HydrophobicContact CG-CE1 3.75Å; F473-F538 AromaticContact CZ-CD1 3.73Å; F473-F538 HydrophobicContact CZ-CD1 3.73Å; F476-F538 AromaticContact CD1-CZ 3.91Å; F476-F538 HydrophobicContact CD1-CZ 3.91Å; F476-F538 HydrophobicContact CD2-CZ 4.22Å; F476-F538 AromaticContact CE1-CZ 3.9Å; F476-F538 HydrophobicContact CE1-CZ 3.9Å; F476-F538 HydrophobicContact CE2-CZ 4.21Å; F476-F538 HydrophobicContact CG-CE1 4.43Å; F476-F538 HydrophobicContact CG-CZ 4.08Å; F476-F538 HydrophobicContact CZ-CZ 4.07Å; F538-K540 VanDerWaalsContact C-N 3.29Å; F538-K540 PolarHBondContact O-N 3.49Å; F538-T541 WeakPolarHBondContact O-CB 3.4Å; F538-T541 PolarHBondContact O-N 2.7Å; F538-T541 VanDerWaalsContact O-N 3.12Å; F538-V542 HydrophobicContact CD1-CG2 3.84Å; F538-V542 HydrophobicContact CE1-CG2 3.56Å; F538-V542 HydrophobicContact CZ-CG2 4.1Å; F538-V542 WeakPolarHBondContact O-CG2 3.4Å; F538-V542 PolarHBondContact O-N 3.07Å
539Y93.9Very high92.7Very high37 Ų3730.5 Ų30.515%0.14514%0.144CC..Hα-helixtrans-61.5-35.117664.5-98.4000113P537 G543 E598 I601P537-Y539 HydrophobicContact CB-CD1 3.71Å; P537-Y539 HydrophobicContact CB-CE1 3.27Å; P537-Y539 HydrophobicContact CB-CE2 4.39Å; P537-Y539 HydrophobicContact CB-CG 4.43Å; P537-Y539 HydrophobicContact CG-CE1 3.92Å; P537-Y539 PolarHBondContact O-N 2.78Å; Y539-G543 PolarHBondContact O-N 2.87Å; Y539-E598 HydrophobicContact CD1-CG 3.95Å; Y539-E598 HydrophobicContact CD2-CG 3.93Å; Y539-E598 HydrophobicContact CE1-CB 4.19Å; Y539-E598 HydrophobicContact CE1-CG 3.93Å; Y539-E598 HydrophobicContact CE2-CB 4.21Å; Y539-E598 HydrophobicContact CE2-CG 3.94Å; Y539-E598 HydrophobicContact CG-CG 3.96Å; Y539-I601 HydrophobicContact CE2-CD1 4.35Å; Y539-I601 HydrophobicContact CE2-CG2 4.43Å
540K94.7Very high93.2Very high0 Ų022.6 Ų22.60%012%0.117CC..Hα-helixtrans-68.2-41.8176179.6178.6171.3-175.30109.9Y532 D533 P537 F538 G543 I544 K589 K591 Y605Y532-K540 PolarHBondContact O-NZ 3.1Å; Y532-K540 VanDerWaalsContact O-NZ 3.16Å; D533-K540 IonicContact OD1-NZ 3.25Å; P537-K540 WeakPolarHBondContact O-CB 3.21Å; P537-K540 PolarHBondContact O-N 3.19Å; P537-K540 VanDerWaalsContact O-N 3.14Å; F538-K540 VanDerWaalsContact C-N 3.29Å; F538-K540 PolarHBondContact O-N 3.49Å; K540-G543 PolarHBondContact O-N 3.16Å; K540-I544 HydrophobicContact CG-CD1 3.94Å; K540-I544 VanDerWaalsContact O-CG1 3.28Å; K540-I544 WeakPolarHBondContact O-CG1 3.3Å; K540-I544 PolarHBondContact O-N 3.07Å; K540-K589 PolarHBondContact NZ-O 3.19Å; K540-K591 PolarHBondContact NZ-O 2.77Å; K540-Y605 HydrophobicContact CG-CE2 4.48Å
541T95.6Very high93.5Very high0 Ų021.6 Ų21.60%011%0.111CC..Hα-helixtrans-60-48.9175.6-52.90000111.6R236 A240 F523 C536 P537 F538 L545R236-T541 HydrophobicContact CB-CG2 4.22Å; R236-T541 HydrophobicContact CG-CG2 4.1Å; A240-T541 HydrophobicContact CB-CG2 4.01Å; F523-T541 HydrophobicContact CE2-CG2 3.75Å; F523-T541 HydrophobicContact CZ-CG2 3.74Å; C536-T541 PolarHBondContact SG-OG1 3.06Å; P537-T541 PolarHBondContact O-N 2.93Å; P537-T541 VanDerWaalsContact O-N 3.11Å; P537-T541 PolarHBondContact O-OG1 3.09Å; F538-T541 WeakPolarHBondContact O-CB 3.4Å; F538-T541 PolarHBondContact O-N 2.7Å; F538-T541 VanDerWaalsContact O-N 3.12Å; T541-L545 WeakPolarHBondContact O-CB 3.48Å; T541-L545 PolarHBondContact O-N 3.14Å; T541-L545 VanDerWaalsContact O-N 3.14Å
542V95.6Very high93.9Very high2 Ų218 Ų181%0.0129%0.087CC..Hα-helixtrans-62.8-44.4177.7177.70000111.1F473 E475 F476 L479 F538 L545 S546F473-V542 HydrophobicContact CD1-CG2 4.02Å; F473-V542 HydrophobicContact CG-CG2 4.34Å; E475-V542 HydrophobicContact CG-CG1 3.93Å; E475-V542 WeakPolarHBondContact OE1-CG1 3.33Å; F476-V542 HydrophobicContact CB-CG2 4.24Å; F476-V542 HydrophobicContact CD2-CG2 3.86Å; F476-V542 HydrophobicContact CG-CG2 4.25Å; L479-V542 HydrophobicContact CD1-CG1 4.49Å; F538-V542 HydrophobicContact CD1-CG2 3.84Å; F538-V542 HydrophobicContact CE1-CG2 3.56Å; F538-V542 HydrophobicContact CZ-CG2 4.1Å; F538-V542 WeakPolarHBondContact O-CG2 3.4Å; F538-V542 PolarHBondContact O-N 3.07Å; V542-L545 PolarHBondContact O-N 2.93Å; V542-S546 VanDerWaalsContact O-CB 3.31Å; V542-S546 WeakPolarHBondContact O-CB 3.41Å; V542-S546 PolarHBondContact O-N 2.72Å
543G94.4Very high94.3Very high13 Ų1319.1 Ų19.113%0.13410%0.097CC..Hα-helixtrans-62.4-44-18000000114Y539 K540 L545 S546 N547Y539-G543 PolarHBondContact O-N 2.87Å; K540-G543 PolarHBondContact O-N 3.16Å; G543-L545 VanDerWaalsContact C-N 3.33Å; G543-L545 PolarHBondContact O-N 3.48Å; G543-S546 PolarHBondContact O-N 2.82Å; G543-N547 PolarHBondContact O-N 3.14Å; G543-N547 VanDerWaalsContact O-N 3.13Å
544I94.9Very high94.5Very high3 Ų321.2 Ų21.22%0.01511%0.107CC..Hα-helixtrans-63.4-41.8176.4-64.8168.2000110.7F523 K540 T548 M588 Y605F523-I544 HydrophobicContact CD2-CB 4.25Å; F523-I544 HydrophobicContact CD2-CG2 3.79Å; K540-I544 HydrophobicContact CG-CD1 3.94Å; K540-I544 VanDerWaalsContact O-CG1 3.28Å; K540-I544 WeakPolarHBondContact O-CG1 3.3Å; K540-I544 PolarHBondContact O-N 3.07Å; I544-T548 WeakPolarHBondContact O-CB 3.31Å; I544-T548 PolarHBondContact O-N 2.83Å; I544-T548 VanDerWaalsContact O-N 3.14Å; I544-T548 PolarHBondContact O-OG1 3.49Å; I544-M588 HydrophobicContact CB-CE 4.45Å; I544-M588 HydrophobicContact CG1-CB 3.94Å; I544-M588 HydrophobicContact CG1-SD 4.44Å; I544-M588 HydrophobicContact CG2-CE 4.05Å; I544-Y605 HydrophobicContact CG1-CE2 4.33Å
545L95.6Very high94.7Very high0 Ų016.1 Ų16.10%09%0.088CC..Hα-helixtrans-68.7-41.5-179.2-167.361.9000111.5F476 L479 A483 L519 F523 T541 V542 G543 T548 I549F476-L545 HydrophobicContact CD2-CD2 4.48Å; F476-L545 HydrophobicContact CE2-CD2 4.14Å; L479-L545 HydrophobicContact CB-CD2 3.91Å; L479-L545 HydrophobicContact CB-CG 4.16Å; A483-L545 HydrophobicContact CB-CD1 3.97Å; L519-L545 HydrophobicContact CD2-CD1 3.96Å; F523-L545 HydrophobicContact CD1-CD1 4.32Å; F523-L545 HydrophobicContact CD2-CD1 4.43Å; F523-L545 HydrophobicContact CE1-CD1 4.07Å; F523-L545 HydrophobicContact CE2-CB 3.89Å; F523-L545 HydrophobicContact CE2-CD1 4.18Å; F523-L545 HydrophobicContact CE2-CG 4.49Å; F523-L545 HydrophobicContact CG-CD1 4.5Å; F523-L545 HydrophobicContact CZ-CB 4.19Å; F523-L545 HydrophobicContact CZ-CD1 3.99Å; F523-L545 HydrophobicContact CZ-CD2 4.24Å; F523-L545 HydrophobicContact CZ-CG 4.37Å; T541-L545 WeakPolarHBondContact O-CB 3.48Å; T541-L545 PolarHBondContact O-N 3.14Å; T541-L545 VanDerWaalsContact O-N 3.14Å; V542-L545 PolarHBondContact O-N 2.93Å; G543-L545 VanDerWaalsContact C-N 3.33Å; G543-L545 PolarHBondContact O-N 3.48Å; L545-T548 PolarHBondContact O-N 3.26Å; L545-I549 HydrophobicContact CD1-CD1 3.99Å; L545-I549 HydrophobicContact CD1-CG1 4.45Å; L545-I549 HydrophobicContact CG-CD1 3.84Å; L545-I549 WeakPolarHBondContact O-CB 3.27Å; L545-I549 WeakPolarHBondContact O-CG1 3.47Å; L545-I549 PolarHBondContact O-N 3.24Å
546S95.9Very high94.9Very high25 Ų2517 Ų1718%0.1759%0.09CC..Hα-helixtrans-58.6-51.4177.4-173.50000111.6V542 G543 T548 I549 A550V542-S546 VanDerWaalsContact O-CB 3.31Å; V542-S546 WeakPolarHBondContact O-CB 3.41Å; V542-S546 PolarHBondContact O-N 2.72Å; G543-S546 PolarHBondContact O-N 2.82Å; S546-T548 PolarHBondContact O-N 2.61Å; S546-I549 PolarHBondContact O-N 3.32Å; S546-A550 VanDerWaalsContact O-CB 3.3Å; S546-A550 WeakPolarHBondContact O-CB 3.44Å; S546-A550 PolarHBondContact O-N 3.08Å
547N95.8Very high94.9Very high5 Ų522 Ų223%0.02711%0.113CC..Hα-helixtrans-65-38.6179.6-76.2-6.6000112.8G543 F551 M588 Y605G543-N547 PolarHBondContact O-N 3.14Å; G543-N547 VanDerWaalsContact O-N 3.13Å; N547-F551 PolarHBondContact O-N 2.81Å; N547-M588 HydrophobicContact CB-CE 3.77Å; N547-M588 HydrophobicContact CB-SD 3.92Å; N547-Y605 PolarHBondContact ND2-O 2.81Å; N547-Y605 VanDerWaalsContact ND2-O 3.09Å
548T95.4Very high94.8Very high4 Ų421.3 Ų21.33%0.02511%0.109CC..Hα-helixtrans-65.9-39.9177.6-53.70000112.1V515 L518 L519 I544 L545 S546 Y552V515-T548 HydrophobicContact CG1-CG2 4.28Å; L518-T548 HydrophobicContact CD2-CG2 4.23Å; L519-T548 HydrophobicContact CD2-CG2 3.57Å; L519-T548 HydrophobicContact CG-CG2 3.87Å; I544-T548 WeakPolarHBondContact O-CB 3.31Å; I544-T548 PolarHBondContact O-N 2.83Å; I544-T548 VanDerWaalsContact O-N 3.14Å; I544-T548 PolarHBondContact O-OG1 3.49Å; L545-T548 PolarHBondContact O-N 3.26Å; S546-T548 PolarHBondContact O-N 2.61Å; T548-Y552 PolarHBondContact O-N 3.31Å
549I96Very high94.6Very high4 Ų421.1 Ų21.12%0.02111%0.108CC..Hα-helixtrans-76.1-38.7179.3-67.2174000111.1L479 K482 A483 L545 S546 F551 Y552 D553L479-I549 HydrophobicContact CB-CD1 3.75Å; L479-I549 HydrophobicContact CD2-CB 3.81Å; L479-I549 HydrophobicContact CD2-CD1 3.65Å; L479-I549 HydrophobicContact CD2-CG1 4.28Å; L479-I549 HydrophobicContact CD2-CG2 3.91Å; L479-I549 HydrophobicContact CG-CD1 4.31Å; L479-I549 WeakPolarHBondContact O-CD1 3.25Å; K482-I549 HydrophobicContact CB-CD1 4.13Å; K482-I549 HydrophobicContact CB-CG2 4.23Å; A483-I549 HydrophobicContact CB-CD1 4.28Å; L545-I549 HydrophobicContact CD1-CD1 3.99Å; L545-I549 HydrophobicContact CD1-CG1 4.45Å; L545-I549 HydrophobicContact CG-CD1 3.84Å; L545-I549 WeakPolarHBondContact O-CB 3.27Å; L545-I549 WeakPolarHBondContact O-CG1 3.47Å; L545-I549 PolarHBondContact O-N 3.24Å; S546-I549 PolarHBondContact O-N 3.32Å; I549-F551 VanDerWaalsContact C-N 3.26Å; I549-F551 PolarHBondContact O-N 2.89Å; I549-Y552 WeakPolarHBondContact O-CA 3.2Å; I549-Y552 WeakPolarHBondContact O-CB 3.44Å; I549-Y552 PolarHBondContact O-N 3.18Å; I549-D553 PolarHBondContact O-N 3.35Å
550A95.6Very high94.4Very high21 Ų2124 Ų2417%0.17412%0.123CC..Hα-helixtrans-59.1-39.2172.700000111.6S546 D553 L554 L609 M612S546-A550 VanDerWaalsContact O-CB 3.3Å; S546-A550 WeakPolarHBondContact O-CB 3.44Å; S546-A550 PolarHBondContact O-N 3.08Å; A550-D553 PolarHBondContact O-N 3.39Å; A550-L554 WeakPolarHBondContact O-CB 3.3Å; A550-L554 VanDerWaalsContact O-CG 3.22Å; A550-L554 WeakPolarHBondContact O-CG 3.45Å; A550-L554 PolarHBondContact O-N 3.49Å; A550-L609 HydrophobicContact CB-CD1 3.65Å; A550-M612 HydrophobicContact CB-CE 3.69Å
551F95.8Very high94.1Very high1 Ų128.2 Ų28.20%0.00415%0.149CC..Hα-helixtrans-60.5-44.2172.2180-98.3000112.1V515 N547 I549 A555 W571 I574 M578 L582 I585 M612 F616V515-F551 HydrophobicContact CG2-CD1 4.01Å; V515-F551 HydrophobicContact CG2-CE1 4.12Å; N547-F551 PolarHBondContact O-N 2.81Å; I549-F551 VanDerWaalsContact C-N 3.26Å; I549-F551 PolarHBondContact O-N 2.89Å; F551-A555 VanDerWaalsContact O-CB 3.23Å; F551-A555 WeakPolarHBondContact O-CB 3.37Å; F551-A555 PolarHBondContact O-N 3.14Å; F551-W571 HydrophobicContact CE1-CH2 4.24Å; F551-W571 HydrophobicContact CE1-CZ3 4.12Å; F551-W571 HydrophobicContact CZ-CH2 4.31Å; F551-W571 HydrophobicContact CZ-CZ3 4.09Å; F551-I574 HydrophobicContact CZ-CG2 4.24Å; F551-M578 HydrophobicContact CE2-SD 3.97Å; F551-L582 HydrophobicContact CE1-CD2 3.82Å; F551-L582 HydrophobicContact CE2-CD2 4.03Å; F551-L582 HydrophobicContact CZ-CD2 3.53Å; F551-L582 HydrophobicContact CZ-CG 4.31Å; F551-I585 HydrophobicContact CB-CD1 4.03Å; F551-I585 HydrophobicContact CD2-CD1 3.98Å; F551-I585 HydrophobicContact CG-CD1 3.99Å; F551-M612 VanDerWaalsContact CA-SD 3.58Å; F551-M612 HydrophobicContact CB-CE 4.34Å; F551-M612 HydrophobicContact CB-SD 3.5Å; F551-M612 VanDerWaalsContact CB-SD 3.5Å; F551-M612 HydrophobicContact CD2-CG 4.38Å; F551-M612 HydrophobicContact CD2-SD 3.67Å; F551-M612 HydrophobicContact CG-SD 4.08Å; F551-F616 AromaticContact CD2-CE2 3.81Å; F551-F616 HydrophobicContact CD2-CE2 3.81Å; F551-F616 AromaticContact CD2-CZ 3.95Å; F551-F616 HydrophobicContact CD2-CZ 3.95Å; F551-F616 AromaticContact CE2-CE2 3.97Å; F551-F616 HydrophobicContact CE2-CE2 3.97Å; F551-F616 AromaticContact CE2-CZ 3.74Å; F551-F616 HydrophobicContact CE2-CZ 3.74Å; F551-F616 HydrophobicContact CZ-CZ 4.45Å
552Y96.1Very high93.7Very high5 Ų529.3 Ų29.32%0.0216%0.156CC..Hα-helixtrans-60.9-48.9177.7174.6-99.9000112.2I486 I511 V515 T548 I549 A555 R556I486-Y552 HydrophobicContact CD1-CD1 3.69Å; I486-Y552 HydrophobicContact CD1-CD2 4.02Å; I486-Y552 HydrophobicContact CD1-CE1 3.9Å; I486-Y552 HydrophobicContact CD1-CE2 4.21Å; I486-Y552 HydrophobicContact CD1-CG 3.75Å; I486-Y552 HydrophobicContact CG1-CD1 4.36Å; I486-Y552 HydrophobicContact CG1-CD2 4.42Å; I486-Y552 HydrophobicContact CG1-CE1 4.06Å; I486-Y552 HydrophobicContact CG1-CE2 4.13Å; I511-Y552 HydrophobicContact CG2-CD2 4.09Å; I511-Y552 HydrophobicContact CG2-CE2 4.34Å; V515-Y552 HydrophobicContact CB-CD2 3.99Å; V515-Y552 HydrophobicContact CG1-CD2 3.95Å; V515-Y552 HydrophobicContact CG1-CG 4.25Å; V515-Y552 HydrophobicContact CG2-CD2 3.95Å; T548-Y552 PolarHBondContact O-N 3.31Å; I549-Y552 WeakPolarHBondContact O-CA 3.2Å; I549-Y552 WeakPolarHBondContact O-CB 3.44Å; I549-Y552 PolarHBondContact O-N 3.18Å; Y552-A555 PolarHBondContact O-N 3.35Å; Y552-R556 VanDerWaalsContact O-CB 3.28Å; Y552-R556 WeakPolarHBondContact O-CB 3.23Å; Y552-R556 PolarHBondContact O-N 2.68Å; Y552-R556 PolarHBondContact OH-NH1 3.22Å; Y552-R556 VanDerWaalsContact OH-NH1 3.11Å
553D95.6Very high93Very high76 Ų7632 Ų3241%0.40618%0.178SC..Hα-helixtrans-64.9-41.6-178.5-69-26.5000111.3I549 A550 H557I549-D553 PolarHBondContact O-N 3.35Å; A550-D553 PolarHBondContact O-N 3.39Å; D553-H557 VanDerWaalsContact O-CB 3.28Å; D553-H557 WeakPolarHBondContact O-CB 3.33Å; D553-H557 PolarHBondContact O-N 3.03Å
554L94.1Very high92.2Very high48 Ų4840.5 Ų40.525%0.25122%0.215SC..Hα-helixtrans-66.2-44.8176-70.1172.8000112.2A550 R556 H557 A558 M612 Q613 F616A550-L554 WeakPolarHBondContact O-CB 3.3Å; A550-L554 VanDerWaalsContact O-CG 3.22Å; A550-L554 WeakPolarHBondContact O-CG 3.45Å; A550-L554 PolarHBondContact O-N 3.49Å; L554-R556 VanDerWaalsContact C-N 3.32Å; L554-R556 PolarHBondContact O-N 2.9Å; L554-H557 PolarHBondContact O-N 2.64Å; L554-A558 WeakPolarHBondContact O-CB 3.39Å; L554-A558 PolarHBondContact O-N 2.77Å; L554-M612 HydrophobicContact CD1-CE 4.07Å; L554-M612 HydrophobicContact CD1-CG 4.15Å; L554-Q613 HydrophobicContact CD1-CG 4.04Å; L554-F616 HydrophobicContact CB-CD1 4.29Å; L554-F616 HydrophobicContact CB-CD2 3.64Å; L554-F616 HydrophobicContact CB-CE1 4.3Å; L554-F616 HydrophobicContact CB-CE2 3.64Å; L554-F616 HydrophobicContact CB-CG 3.99Å; L554-F616 HydrophobicContact CB-CZ 3.98Å; L554-F616 HydrophobicContact CD1-CD2 3.67Å; L554-F616 HydrophobicContact CD1-CE2 4.08Å; L554-F616 HydrophobicContact CD1-CG 4.45Å; L554-F616 HydrophobicContact CG-CD2 4.24Å
555A93.7Very high91.4Very high0 Ų043 Ų430%023%0.232CC..Hα-helixtrans-62.7-41.4177.900000111.6I511 F551 Y552 V559 I574 F616I511-A555 HydrophobicContact CD1-CB 4.28Å; I511-A555 HydrophobicContact CG2-CB 4.05Å; F551-A555 VanDerWaalsContact O-CB 3.23Å; F551-A555 WeakPolarHBondContact O-CB 3.37Å; F551-A555 PolarHBondContact O-N 3.14Å; Y552-A555 PolarHBondContact O-N 3.35Å; A555-V559 WeakPolarHBondContact O-CG2 3.26Å; A555-V559 PolarHBondContact O-N 3.29Å; A555-I574 HydrophobicContact CB-CD1 4.35Å; A555-F616 HydrophobicContact CB-CE1 4.19Å; A555-F616 HydrophobicContact CB-CZ 4.01Å
556R93.7Very high90.3Very high81 Ų8151.1 Ų51.131%0.30628%0.276SS..Hα-helixtrans-66.1-45.5177-172.7173.8176.3167.5-0.1111.4Y552 L554 A558 V559 E560Y552-R556 VanDerWaalsContact O-CB 3.28Å; Y552-R556 WeakPolarHBondContact O-CB 3.23Å; Y552-R556 PolarHBondContact O-N 2.68Å; Y552-R556 PolarHBondContact OH-NH1 3.22Å; Y552-R556 VanDerWaalsContact OH-NH1 3.11Å; L554-R556 VanDerWaalsContact C-N 3.32Å; L554-R556 PolarHBondContact O-N 2.9Å; R556-A558 PolarHBondContact O-N 3.19Å; R556-V559 PolarHBondContact O-N 2.98Å; R556-E560 HydrophobicContact CG-CG 4.3Å; R556-E560 WeakPolarHBondContact CG-OE1 3.35Å; R556-E560 IonicContact CZ-OE1 2.71Å; R556-E560 IonicContact NE-OE1 3.21Å; R556-E560 PolarHBondContact NE-OE1 3.42Å; R556-E560 IonicContact NH2-OE1 3.5Å; R556-E560 PolarHBondContact NH2-OE1 2.92Å; R556-E560 WeakPolarHBondContact O-CB 3.31Å; R556-E560 WeakPolarHBondContact O-CG 3.49Å; R556-E560 PolarHBondContact O-N 3.25Å
557H92.5Very high89.5Confident107 Ų10756.8 Ų56.850%0.49530%0.304SS..Hα-helixtrans-59.2-45.5176.8-178.4-83.8000112.3D553 L554 V559 E560 T561 E620D553-H557 VanDerWaalsContact O-CB 3.28Å; D553-H557 WeakPolarHBondContact O-CB 3.33Å; D553-H557 PolarHBondContact O-N 3.03Å; L554-H557 PolarHBondContact O-N 2.64Å; H557-V559 VanDerWaalsContact C-N 3.35Å; H557-V559 PolarHBondContact O-N 2.9Å; H557-E560 PolarHBondContact O-N 2.93Å; H557-T561 PolarHBondContact CE1-OG1 2.9Å; H557-T561 VanDerWaalsContact O-CB 3.28Å; H557-T561 WeakPolarHBondContact O-CB 3.23Å; H557-T561 PolarHBondContact O-N 3.47Å; H557-T561 PolarHBondContact O-OG1 2.9Å; H557-E620 IonicContact ND1-OE1 3.92Å
558A90.9Very high88.9Confident0 Ų063 Ų630%033%0.331CS..Hα-helixtrans-61.5-41.4179.700000112.2L554 R556 T562 I569 F616L554-A558 WeakPolarHBondContact O-CB 3.39Å; L554-A558 PolarHBondContact O-N 2.77Å; R556-A558 PolarHBondContact O-N 3.19Å; A558-T562 WeakPolarHBondContact O-CG2 3.48Å; A558-T562 PolarHBondContact O-N 3Å; A558-T562 PolarHBondContact O-OG1 3.4Å; A558-I569 HydrophobicContact CB-CD1 4.35Å; A558-F616 HydrophobicContact CB-CD1 4.33Å
559V91.1Very high88.6Confident11 Ų1163.5 Ų63.57%0.06733%0.333CS..Hα-helixtrans-73.6-42.3178.51730000112.3E507 I511 A555 R556 H557 A563 I569 I574E507-V559 HydrophobicContact CB-CG1 3.75Å; I511-V559 HydrophobicContact CD1-CB 4.11Å; I511-V559 HydrophobicContact CD1-CG2 3.58Å; A555-V559 WeakPolarHBondContact O-CG2 3.26Å; A555-V559 PolarHBondContact O-N 3.29Å; R556-V559 PolarHBondContact O-N 2.98Å; H557-V559 VanDerWaalsContact C-N 3.35Å; H557-V559 PolarHBondContact O-N 2.9Å; V559-A563 PolarHBondContact O-N 2.99Å; V559-A563 VanDerWaalsContact O-N 3.16Å; V559-I569 HydrophobicContact CG2-CG2 4.46Å; V559-I574 HydrophobicContact CG2-CD1 3.91Å
560E90.2Very high88.3Confident97 Ų9764.5 Ų64.545%0.45334%0.34SS..Hα-helixtrans-66.8-39.9179.9-74.1-179.8-179.400111.8T508 R556 H557 A563T508-E560 HydrophobicContact CG2-CG 4.24Å; R556-E560 HydrophobicContact CG-CG 4.3Å; R556-E560 WeakPolarHBondContact CG-OE1 3.35Å; R556-E560 IonicContact CZ-OE1 2.71Å; R556-E560 IonicContact NE-OE1 3.21Å; R556-E560 PolarHBondContact NE-OE1 3.42Å; R556-E560 IonicContact NH2-OE1 3.5Å; R556-E560 PolarHBondContact NH2-OE1 2.92Å; R556-E560 WeakPolarHBondContact O-CB 3.31Å; R556-E560 WeakPolarHBondContact O-CG 3.49Å; R556-E560 PolarHBondContact O-N 3.25Å; H557-E560 PolarHBondContact O-N 2.93Å; E560-A563 WeakPolarHBondContact O-CB 3.11Å; E560-A563 PolarHBondContact O-N 3.03Å
561T88.5Confident88Confident90 Ų9064.6 Ų64.655%0.55234%0.335SS*.Hα-helixtrans-68.5-37.5-179.5-54.40000112H557H557-T561 PolarHBondContact CE1-OG1 2.9Å; H557-T561 VanDerWaalsContact O-CB 3.28Å; H557-T561 WeakPolarHBondContact O-CB 3.23Å; H557-T561 PolarHBondContact O-N 3.47Å; H557-T561 PolarHBondContact O-OG1 2.9Å
562T85.9Confident87.7Confident22 Ų2267.6 Ų67.614%0.13536%0.361CS..Hα-helixtrans-89.70.6-178.560.20000113.6A558 Q564 S565 I569A558-T562 WeakPolarHBondContact O-CG2 3.48Å; A558-T562 PolarHBondContact O-N 3Å; A558-T562 PolarHBondContact O-OG1 3.4Å; T562-Q564 VanDerWaalsContact C-N 3.26Å; T562-Q564 PolarHBondContact O-N 3.45Å; T562-Q564 VanDerWaalsContact O-N 3.16Å; T562-S565 PolarHBondContact O-N 3.14Å; T562-S565 PolarHBondContact O-OG 3.42Å; T562-I569 HydrophobicContact CG2-CD1 3.78Å; T562-I569 HydrophobicContact CG2-CG1 3.99Å; T562-I569 WeakPolarHBondContact OG1-CB 3.27Å; T562-I569 PolarHBondContact OG1-N 3.13Å; T562-I569 VanDerWaalsContact OG1-N 3.13Å
563A80.5Confident87.5Confident59 Ų5971.7 Ų71.749%0.48838%0.381SS..THydrogen-bonded Turntrans-59.2-30.5-174.300000114.6V559 E560V559-A563 PolarHBondContact O-N 2.99Å; V559-A563 VanDerWaalsContact O-N 3.16Å; E560-A563 WeakPolarHBondContact O-CB 3.11Å; E560-A563 PolarHBondContact O-N 3.03Å
564Q77.9Confident87.3Confident191 Ų19168 Ų6889%0.89336%0.362SS*.THydrogen-bonded Turntrans-101.1-1.8179.8-61.2-63.6-39.700113.4T562T562-Q564 VanDerWaalsContact C-N 3.26Å; T562-Q564 PolarHBondContact O-N 3.45Å; T562-Q564 VanDerWaalsContact O-N 3.16Å
565S79.7Confident87.2Confident55 Ų5573 Ų7339%0.38538%0.377SS..SBendtrans-89.4154.1179.3720000111.4T562 N567T562-S565 PolarHBondContact O-N 3.14Å; T562-S565 PolarHBondContact O-OG 3.42Å; S565-N567 PolarHBondContact O-N 3.12Å
566D71.4Confident87Confident172 Ų17280.7 Ų80.792%0.9241%0.413SS*.SBendtrans-62.3-28.8178.8-74-31.4000112.5K568D566-K568 PolarHBondContact O-N 3.14Å
567N78.4Confident86.9Confident143 Ų14383.2 Ų83.277%0.76543%0.428SS*.SBendtrans-99.563.9176.2-72.2-11.2000111.3S565 I569S565-N567 PolarHBondContact O-N 3.12Å; N567-I569 PolarHBondContact O-N 3.29Å
568K84.3Confident86.8Confident136 Ų13678.2 Ų78.259%0.59141%0.405SS*.  trans-58.9126.2176.269.9-176.3-178.5-179.80111.2D566 T570D566-K568 PolarHBondContact O-N 3.14Å; K568-T570 HydrophobicContact CG-CG2 4.22Å; K568-T570 PolarHBondContact O-N 3.31Å
569I87.8Confident86.8Confident14 Ų1480 Ų807%0.07242%0.423CS..  trans-75.2125.6170.9-61.6174.1000107.3A558 V559 T562 N567 I574 L619 E620A558-I569 HydrophobicContact CB-CD1 4.35Å; V559-I569 HydrophobicContact CG2-CG2 4.46Å; T562-I569 HydrophobicContact CG2-CD1 3.78Å; T562-I569 HydrophobicContact CG2-CG1 3.99Å; T562-I569 WeakPolarHBondContact OG1-CB 3.27Å; T562-I569 PolarHBondContact OG1-N 3.13Å; T562-I569 VanDerWaalsContact OG1-N 3.13Å; N567-I569 PolarHBondContact O-N 3.29Å; I569-I574 HydrophobicContact CG2-CD1 3.96Å; I569-I574 HydrophobicContact CG2-CG1 3.71Å; I569-L619 HydrophobicContact CD1-CG 4.44Å; I569-L619 HydrophobicContact CG2-CD2 4.11Å; I569-E620 HydrophobicContact CD1-CG 4.25Å
570T90.1Very high86.8Confident26 Ų2686.6 Ų86.616%0.1645%0.453CS..  trans-107.2158.6175.559.70000110.3K568 A572 M573 I574K568-T570 HydrophobicContact CG-CG2 4.22Å; K568-T570 PolarHBondContact O-N 3.31Å; T570-A572 PolarHBondContact O-N 2.73Å; T570-M573 WeakPolarHBondContact O-CB 3.45Å; T570-M573 PolarHBondContact O-N 3.1Å; T570-I574 PolarHBondContact O-N 3.2Å
571W90.1Very high87Confident22 Ų2282.8 Ų82.88%0.08344%0.436CS..Hα-helixtrans-56.4-35176.3168.6-111.6000112.6E507 K510 I511 E514 F551 M573 I574 R575E507-W571 PolarHBondContact OE2-N 2.77Å; K510-W571 HydrophobicContact CB-CB 4.45Å; I511-W571 HydrophobicContact CG1-CB 4.44Å; I511-W571 HydrophobicContact CG1-CD2 4.43Å; I511-W571 HydrophobicContact CG1-CE3 3.8Å; I511-W571 HydrophobicContact CG1-CZ3 4.49Å; E514-W571 HydrophobicContact CB-CH2 3.93Å; E514-W571 HydrophobicContact CB-CZ2 3.43Å; E514-W571 VanDerWaalsContact CB-CZ2 3.43Å; E514-W571 HydrophobicContact CG-CZ2 3.65Å; F551-W571 HydrophobicContact CE1-CH2 4.24Å; F551-W571 HydrophobicContact CE1-CZ3 4.12Å; F551-W571 HydrophobicContact CZ-CH2 4.31Å; F551-W571 HydrophobicContact CZ-CZ3 4.09Å; W571-M573 VanDerWaalsContact C-N 3.31Å; W571-M573 PolarHBondContact O-N 2.77Å; W571-I574 HydrophobicContact CE3-CB 4.21Å; W571-I574 HydrophobicContact CE3-CG2 4.23Å; W571-I574 HydrophobicContact CZ3-CG2 4.05Å; W571-I574 PolarHBondContact O-N 2.82Å; W571-R575 HydrophobicContact CZ2-CB 4.32Å; W571-R575 WeakPolarHBondContact O-CB 3.45Å; W571-R575 PolarHBondContact O-N 2.82Å
572A89.9Confident87.1Confident65 Ų6579.9 Ų79.954%0.53742%0.417SS..Hα-helixtrans-59.9-41.2178.100000112.1T570 R575 E576T570-A572 PolarHBondContact O-N 2.73Å; A572-R575 PolarHBondContact O-N 2.89Å; A572-E576 PolarHBondContact O-N 3.43Å; A572-E576 VanDerWaalsContact O-N 3.1Å
573M90.6Very high87.5Confident90 Ų9087 Ų8744%0.44344%0.442SS..Hα-helixtrans-66.5-44.9177.2-68169.5170.700111.5T570 W571 R575 E576 H577T570-M573 WeakPolarHBondContact O-CB 3.45Å; T570-M573 PolarHBondContact O-N 3.1Å; W571-M573 VanDerWaalsContact C-N 3.31Å; W571-M573 PolarHBondContact O-N 2.77Å; M573-R575 VanDerWaalsContact C-N 3.32Å; M573-R575 PolarHBondContact O-N 3.27Å; M573-E576 PolarHBondContact O-N 2.86Å; M573-H577 PolarHBondContact O-N 3.33Å; M573-H577 PolarHBondContact O-ND1 3.25Å
574I91.4Very high88.1Confident0 Ų087.7 Ų87.70%043%0.432CS..Hα-helixtrans-58.2-47.5176.2-63.4171.8000109.8F551 A555 V559 I569 T570 W571 E576 H577 M578 F616 L619F551-I574 HydrophobicContact CZ-CG2 4.24Å; A555-I574 HydrophobicContact CB-CD1 4.35Å; V559-I574 HydrophobicContact CG2-CD1 3.91Å; I569-I574 HydrophobicContact CG2-CD1 3.96Å; I569-I574 HydrophobicContact CG2-CG1 3.71Å; T570-I574 PolarHBondContact O-N 3.2Å; W571-I574 HydrophobicContact CE3-CB 4.21Å; W571-I574 HydrophobicContact CE3-CG2 4.23Å; W571-I574 HydrophobicContact CZ3-CG2 4.05Å; W571-I574 PolarHBondContact O-N 2.82Å; I574-E576 VanDerWaalsContact C-N 3.32Å; I574-E576 PolarHBondContact O-N 3.48Å; I574-H577 PolarHBondContact O-N 3.06Å; I574-M578 HydrophobicContact CG2-CG 4.24Å; I574-M578 HydrophobicContact CG2-SD 4.06Å; I574-M578 WeakPolarHBondContact O-CA 3.41Å; I574-M578 WeakPolarHBondContact O-CB 3.31Å; I574-M578 WeakPolarHBondContact O-CG 3.23Å; I574-M578 PolarHBondContact O-N 2.75Å; I574-F616 HydrophobicContact CG2-CE1 4.42Å; I574-L619 HydrophobicContact CG1-CD2 3.76Å
575R91.6Very high88.8Confident152 Ų15278.8 Ų78.857%0.57439%0.391SS*.Hα-helixtrans-62.2-37.8-178.8-177.2179.1172.4-169.2-3112.9W571 A572 M573 G579 L582W571-R575 HydrophobicContact CZ2-CB 4.32Å; W571-R575 WeakPolarHBondContact O-CB 3.45Å; W571-R575 PolarHBondContact O-N 2.82Å; A572-R575 PolarHBondContact O-N 2.89Å; M573-R575 VanDerWaalsContact C-N 3.32Å; M573-R575 PolarHBondContact O-N 3.27Å; R575-G579 PolarHBondContact O-N 3.28Å; R575-L582 HydrophobicContact CG-CD1 4.46Å
576E90.9Very high89.5Confident162 Ų16277.7 Ų77.776%0.75738%0.383SS*.Hα-helixtrans-72.4-45.5179.3-170.2172.4-17500111.7A572 M573 I574A572-E576 PolarHBondContact O-N 3.43Å; A572-E576 VanDerWaalsContact O-N 3.1Å; M573-E576 PolarHBondContact O-N 2.86Å; I574-E576 VanDerWaalsContact C-N 3.32Å; I574-E576 PolarHBondContact O-N 3.48Å
577H90.3Very high90.5Very high134 Ų13471 Ų7162%0.6235%0.349SS*.Hα-helixtrans-75.1-31.5-178.9-70.676.6000112.9M573 I574 L619M573-H577 PolarHBondContact O-N 3.33Å; M573-H577 PolarHBondContact O-ND1 3.25Å; I574-H577 PolarHBondContact O-N 3.06Å; H577-L619 HydrophobicContact CB-CD1 3.97Å
578M90.4Very high91.2Very high2 Ų264.4 Ų64.41%0.0131%0.314CS..THydrogen-bonded Turntrans-104.220.4-175.1-56-157.9171.900114F551 I574 E580 I581 L582 A615 F616 L619F551-M578 HydrophobicContact CE2-SD 3.97Å; I574-M578 HydrophobicContact CG2-CG 4.24Å; I574-M578 HydrophobicContact CG2-SD 4.06Å; I574-M578 WeakPolarHBondContact O-CA 3.41Å; I574-M578 WeakPolarHBondContact O-CB 3.31Å; I574-M578 WeakPolarHBondContact O-CG 3.23Å; I574-M578 PolarHBondContact O-N 2.75Å; M578-E580 VanDerWaalsContact C-N 3.25Å; M578-E580 PolarHBondContact O-N 2.7Å; M578-I581 HydrophobicContact CB-CB 4.39Å; M578-I581 HydrophobicContact CB-CD1 4.42Å; M578-I581 HydrophobicContact CG-CD1 4.37Å; M578-I581 PolarHBondContact O-N 2.89Å; M578-I581 VanDerWaalsContact O-N 3.14Å; M578-I581 HydrophobicContact SD-CD1 4.38Å; M578-L582 WeakPolarHBondContact O-CG 3.39Å; M578-L582 PolarHBondContact O-N 3.26Å; M578-A615 HydrophobicContact CE-CB 4.08Å; M578-F616 HydrophobicContact CE-CB 4.05Å; M578-F616 HydrophobicContact CE-CD1 3.33Å; M578-F616 HydrophobicContact CE-CD2 3.56Å; M578-F616 HydrophobicContact CE-CE1 3.5Å; M578-F616 VanDerWaalsContact CE-CE1 3.5Å; M578-F616 HydrophobicContact CE-CE2 3.73Å; M578-F616 HydrophobicContact CE-CG 3.36Å; M578-F616 HydrophobicContact CE-CZ 3.7Å; M578-F616 HydrophobicContact SD-CD1 4.22Å; M578-F616 HydrophobicContact SD-CD2 3.97Å; M578-F616 HydrophobicContact SD-CE1 3.78Å; M578-F616 HydrophobicContact SD-CE2 3.52Å; M578-F616 VanDerWaalsContact SD-CE2 3.52Å; M578-F616 HydrophobicContact SD-CG 4.3Å; M578-F616 HydrophobicContact SD-CZ 3.41Å; M578-F616 WeakPolarHBondContact SD-CZ 3.46Å; M578-L619 HydrophobicContact CE-CB 4.46Å; M578-L619 HydrophobicContact CE-CD2 4.12Å
579G90.9Very high91.5Very high37 Ų3759.6 Ų59.638%0.38129%0.294SS..Hα-helixtrans-55.4-38.9179.500000113.5R575 Y583R575-G579 PolarHBondContact O-N 3.28Å; G579-Y583 WeakPolarHBondContact O-CB 3.46Å; G579-Y583 PolarHBondContact O-N 3Å; G579-Y583 VanDerWaalsContact O-N 3.07Å
580E92.7Very high91.7Very high150 Ų15064.1 Ų64.170%0.70131%0.313SS*.Hα-helixtrans-69.2-41.3177.3-171.3178.6173.700112.4M578 Y583 R584M578-E580 VanDerWaalsContact C-N 3.25Å; M578-E580 PolarHBondContact O-N 2.7Å; E580-Y583 WeakPolarHBondContact O-CB 3.2Å; E580-Y583 PolarHBondContact O-N 2.71Å; E580-R584 WeakPolarHBondContact O-CG 3.46Å; E580-R584 PolarHBondContact O-N 3.14Å
581I92.9Very high91.7Very high16 Ų1665.6 Ų65.68%0.08232%0.317CS..Hα-helixtrans-66.9-44.1178.9-66.6162.3000110.3M578 Y583 R584 I585 M612 A615M578-I581 HydrophobicContact CB-CB 4.39Å; M578-I581 HydrophobicContact CB-CD1 4.42Å; M578-I581 HydrophobicContact CG-CD1 4.37Å; M578-I581 PolarHBondContact O-N 2.89Å; M578-I581 VanDerWaalsContact O-N 3.14Å; M578-I581 HydrophobicContact SD-CD1 4.38Å; I581-Y583 VanDerWaalsContact C-N 3.3Å; I581-Y583 PolarHBondContact O-N 2.8Å; I581-R584 PolarHBondContact O-N 2.79Å; I581-R584 VanDerWaalsContact O-N 3.12Å; I581-I585 HydrophobicContact CG2-CD1 3.97Å; I581-I585 HydrophobicContact CG2-CG1 4.45Å; I581-I585 WeakPolarHBondContact O-CG1 3.48Å; I581-I585 PolarHBondContact O-N 3.05Å; I581-M612 HydrophobicContact CG2-CB 4.19Å; I581-M612 HydrophobicContact CG2-CG 4.17Å; I581-M612 HydrophobicContact CG2-SD 4.45Å; I581-A615 HydrophobicContact CD1-CB 3.23Å
582L91.6Very high91.6Very high30 Ų3065.5 Ų65.516%0.15732%0.318CS..Hα-helixtrans-58.6-43.1174.9-73.5174.3000111.2F551 R575 M578 R584 I585 S586F551-L582 HydrophobicContact CE1-CD2 3.82Å; F551-L582 HydrophobicContact CE2-CD2 4.03Å; F551-L582 HydrophobicContact CZ-CD2 3.53Å; F551-L582 HydrophobicContact CZ-CG 4.31Å; R575-L582 HydrophobicContact CG-CD1 4.46Å; M578-L582 WeakPolarHBondContact O-CG 3.39Å; M578-L582 PolarHBondContact O-N 3.26Å; L582-R584 PolarHBondContact O-N 2.83Å; L582-I585 PolarHBondContact O-N 2.81Å; L582-S586 PolarHBondContact O-N 2.84Å; L582-S586 PolarHBondContact O-OG 2.72Å
583Y94Very high91.3Very high171 Ų17163.1 Ų63.167%0.67130%0.297SS*.Hα-helixtrans-61.7-43.6174.1178.7-99.7000112.2G579 E580 I581 I585 S586 S587G579-Y583 WeakPolarHBondContact O-CB 3.46Å; G579-Y583 PolarHBondContact O-N 3Å; G579-Y583 VanDerWaalsContact O-N 3.07Å; E580-Y583 WeakPolarHBondContact O-CB 3.2Å; E580-Y583 PolarHBondContact O-N 2.71Å; I581-Y583 VanDerWaalsContact C-N 3.3Å; I581-Y583 PolarHBondContact O-N 2.8Å; Y583-I585 PolarHBondContact O-N 2.75Å; Y583-S586 PolarHBondContact O-N 2.99Å; Y583-S587 WeakPolarHBondContact O-CB 3.24Å; Y583-S587 PolarHBondContact O-N 3.24Å
584R93.9Very high90.9Very high74 Ų7463.9 Ų63.928%0.27931%0.307SS..Hα-helixtrans-63-40.8176.9-74.517967.6-170.9-7.8112E580 I581 L582 S587 M588 L608 D611E580-R584 WeakPolarHBondContact O-CG 3.46Å; E580-R584 PolarHBondContact O-N 3.14Å; I581-R584 PolarHBondContact O-N 2.79Å; I581-R584 VanDerWaalsContact O-N 3.12Å; L582-R584 PolarHBondContact O-N 2.83Å; R584-S587 WeakPolarHBondContact CA-OG 3.43Å; R584-S587 PolarHBondContact O-N 3.08Å; R584-S587 PolarHBondContact O-OG 3.23Å; R584-M588 PolarHBondContact O-N 3.5Å; R584-L608 HydrophobicContact CB-CD1 3.68Å; R584-L608 HydrophobicContact CB-CD2 4.35Å; R584-D611 IonicContact CZ-OD2 3.64Å; R584-D611 VanDerWaalsContact CZ-OD2 3.25Å; R584-D611 IonicContact NH1-OD2 2.83Å; R584-D611 PolarHBondContact NH1-OD2 3.44Å; R584-D611 IonicContact NH2-OD2 2.87Å; R584-D611 PolarHBondContact NH2-OD2 3.16Å
585I92.4Very high90.5Very high3 Ų372 Ų722%0.01534%0.342CS..Hα-helixtrans-59.1-50.3173.6-70.6167.4000110.4L518 F551 I581 L582 Y583 S587 M588 L608 M612L518-I585 HydrophobicContact CD1-CG2 4.37Å; L518-I585 HydrophobicContact CD2-CG2 3.57Å; L518-I585 HydrophobicContact CG-CG2 4.14Å; F551-I585 HydrophobicContact CB-CD1 4.03Å; F551-I585 HydrophobicContact CD2-CD1 3.98Å; F551-I585 HydrophobicContact CG-CD1 3.99Å; I581-I585 HydrophobicContact CG2-CD1 3.97Å; I581-I585 HydrophobicContact CG2-CG1 4.45Å; I581-I585 WeakPolarHBondContact O-CG1 3.48Å; I581-I585 PolarHBondContact O-N 3.05Å; L582-I585 PolarHBondContact O-N 2.81Å; Y583-I585 PolarHBondContact O-N 2.75Å; I585-S587 PolarHBondContact O-N 3.42Å; I585-M588 HydrophobicContact CB-CE 4.11Å; I585-M588 HydrophobicContact CG1-CE 4.32Å; I585-M588 HydrophobicContact CG2-CE 3.69Å; I585-M588 WeakPolarHBondContact O-CB 3.33Å; I585-M588 WeakPolarHBondContact O-CE 3.27Å; I585-M588 WeakPolarHBondContact O-CG 3.29Å; I585-M588 PolarHBondContact O-N 3.22Å; I585-M588 VanDerWaalsContact O-N 3.14Å; I585-L608 HydrophobicContact CG1-CD2 4.26Å; I585-M612 HydrophobicContact CD1-SD 4.31Å
586S92.8Very high89.9Confident33 Ų3366.6 Ų66.623%0.23133%0.325CS..Hα-helixtrans-62.1-29.8176.9-64.90000113.2L518 D522 L582 Y583 M588L518-S586 WeakPolarHBondContact CD1-OG 3.37Å; D522-S586 WeakPolarHBondContact OD2-CA 3.36Å; D522-S586 WeakPolarHBondContact OD2-CB 3.33Å; D522-S586 PolarHBondContact OD2-OG 3.1Å; L582-S586 PolarHBondContact O-N 2.84Å; L582-S586 PolarHBondContact O-OG 2.72Å; Y583-S586 PolarHBondContact O-N 2.99Å; S586-M588 VanDerWaalsContact C-N 3.3Å; S586-M588 PolarHBondContact O-N 3.39Å
587S93.6Very high89.7Confident30 Ų3060.1 Ų60.121%0.2130%0.301CS..Hα-helixtrans-76.9-12.6179.781.50000114.5Y583 R584 I585 K589 F590Y583-S587 WeakPolarHBondContact O-CB 3.24Å; Y583-S587 PolarHBondContact O-N 3.24Å; R584-S587 WeakPolarHBondContact CA-OG 3.43Å; R584-S587 PolarHBondContact O-N 3.08Å; R584-S587 PolarHBondContact O-OG 3.23Å; I585-S587 PolarHBondContact O-N 3.42Å; S587-K589 PolarHBondContact O-N 3.48Å; S587-K589 VanDerWaalsContact O-N 3.09Å; S587-F590 WeakPolarHBondContact O-CD2 3.34Å; S587-F590 PolarHBondContact O-N 3.06Å
588M92.4Very high89.7Confident5 Ų558 Ų583%0.02529%0.291CS..G310 helixtrans-58.4-29.5-175.5-70.4-166.7-79.200113I544 N547 R584 I585 S586 F590 K591 Y605 L608I544-M588 HydrophobicContact CB-CE 4.45Å; I544-M588 HydrophobicContact CG1-CB 3.94Å; I544-M588 HydrophobicContact CG1-SD 4.44Å; I544-M588 HydrophobicContact CG2-CE 4.05Å; N547-M588 HydrophobicContact CB-CE 3.77Å; N547-M588 HydrophobicContact CB-SD 3.92Å; R584-M588 PolarHBondContact O-N 3.5Å; I585-M588 HydrophobicContact CB-CE 4.11Å; I585-M588 HydrophobicContact CG1-CE 4.32Å; I585-M588 HydrophobicContact CG2-CE 3.69Å; I585-M588 WeakPolarHBondContact O-CB 3.33Å; I585-M588 WeakPolarHBondContact O-CE 3.27Å; I585-M588 WeakPolarHBondContact O-CG 3.29Å; I585-M588 PolarHBondContact O-N 3.22Å; I585-M588 VanDerWaalsContact O-N 3.14Å; S586-M588 VanDerWaalsContact C-N 3.3Å; S586-M588 PolarHBondContact O-N 3.39Å; M588-F590 VanDerWaalsContact C-N 3.3Å; M588-F590 PolarHBondContact O-N 3.03Å; M588-K591 WeakPolarHBondContact O-CG 3.41Å; M588-Y605 HydrophobicContact CB-CE1 3.87Å; M588-Y605 HydrophobicContact CG-CD1 4.23Å; M588-Y605 HydrophobicContact CG-CE1 3.8Å; M588-Y605 PolarHBondContact O-OH 3.23Å; M588-Y605 HydrophobicContact SD-CD1 4.01Å; M588-Y605 HydrophobicContact SD-CE1 3.99Å; M588-L608 HydrophobicContact CG-CD2 3.98Å; M588-L608 HydrophobicContact SD-CD2 3.84Å
589K91.2Very high89.7Confident36 Ų3663.6 Ų63.616%0.15733%0.326CS..G310 helixtrans-66.3-27.5178.470.6-167.9179.6-1610113.7D521 D522 Y532 K540 S587 K591D521-K589 PolarHBondContact O-NZ 2.74Å; D521-K589 VanDerWaalsContact O-NZ 3.07Å; D522-K589 IonicContact OD1-NZ 2.76Å; D522-K589 PolarHBondContact OD1-NZ 3.34Å; Y532-K589 WeakPolarHBondContact CD2-O 3.45Å; K540-K589 PolarHBondContact NZ-O 3.19Å; S587-K589 PolarHBondContact O-N 3.48Å; S587-K589 VanDerWaalsContact O-N 3.09Å; K589-K591 PolarHBondContact O-N 3.33Å
590F92.6Very high89.8Confident109 Ų10966.6 Ų66.648%0.47833%0.329SS..G310 helixtrans-75.5-4.6-176.5-58.2-66.2000114.6Y532 S587 M588 D592Y532-F590 HydrophobicContact CD2-CD1 4.33Å; Y532-F590 HydrophobicContact CE1-CD1 4.21Å; Y532-F590 AromaticContact CE2-CD1 3.58Å; Y532-F590 HydrophobicContact CE2-CD1 3.58Å; Y532-F590 HydrophobicContact CE2-CE1 4.13Å; Y532-F590 AromaticContact CZ-CD1 3.52Å; Y532-F590 AromaticContact CZ-CE1 3.94Å; Y532-F590 WeakPolarHBondContact OH-CE1 3.02Å; S587-F590 WeakPolarHBondContact O-CD2 3.34Å; S587-F590 PolarHBondContact O-N 3.06Å; M588-F590 VanDerWaalsContact C-N 3.3Å; M588-F590 PolarHBondContact O-N 3.03Å; F590-D592 PolarHBondContact O-N 2.98Å
591K90Very high89.8Confident57 Ų5759.4 Ų59.425%0.24830%0.295CS..  trans-66.9128.7176.8-61.6-65.9174.5171.90110.9K540 M588 K589 P593 I601 E604 Y605K540-K591 PolarHBondContact NZ-O 2.77Å; M588-K591 WeakPolarHBondContact O-CG 3.41Å; K589-K591 PolarHBondContact O-N 3.33Å; K591-P593 WeakPolarHBondContact O-CD 3.08Å; K591-I601 HydrophobicContact CB-CD1 4.28Å; K591-I601 HydrophobicContact CB-CG1 4.31Å; K591-E604 WeakPolarHBondContact CD-OE2 3.48Å; K591-E604 WeakPolarHBondContact CE-OE2 3.21Å; K591-E604 IonicContact NZ-OE1 3.26Å; K591-E604 IonicContact NZ-OE2 3.26Å; K591-E604 PolarHBondContact NZ-OE2 3.11Å; K591-Y605 HydrophobicContact CG-CE1 4.28Å
592D88.4Confident89.8Confident19 Ų1963.3 Ų63.310%0.10231%0.311CS..  trans-92.2112.6-176.1-173.8-21.2000109.3F590 V594 K595 D596F590-D592 PolarHBondContact O-N 2.98Å; D592-V594 PolarHBondContact O-N 3.39Å; D592-V594 PolarHBondContact OD1-N 3.47Å; D592-K595 HydrophobicContact CB-CB 4.17Å; D592-K595 HydrophobicContact CB-CD 4.41Å; D592-K595 HydrophobicContact CB-CG 4.41Å; D592-K595 PolarHBondContact O-N 3.39Å; D592-K595 WeakPolarHBondContact OD2-CD 3.36Å; D592-K595 WeakPolarHBondContact OD2-CE 3.43Å; D592-K595 IonicContact OD2-NZ 3.52Å; D592-D596 PolarHBondContact N-OD2 2.69Å; D592-D596 WeakPolarHBondContact O-CB 3.37Å; D592-D596 PolarHBondContact O-N 2.83Å
593P83.6Confident89.9Confident16 Ų1664.7 Ų64.710%0.10433%0.327CS..Hα-helixtrans-63.7-26.7-175.826.6-34.2000113.1P537 K591P537-P593 HydrophobicContact CG-CB 3.56Å; P537-P593 HydrophobicContact CG-CG 4.13Å; K591-P593 WeakPolarHBondContact O-CD 3.08Å
594V80.8Confident89.8Confident106 Ų10658.9 Ų58.964%0.64231%0.306SS*.Hα-helixtrans-79.4-36.9-178.5-176.60000111.1D592D592-V594 PolarHBondContact O-N 3.39Å; D592-V594 PolarHBondContact OD1-N 3.47Å
595K82.8Confident89.8Confident169 Ų16956 Ų5674%0.73530%0.296SS*.Hα-helixtrans-89.4-43.5-175.3-65.7-179.8-175.3170.20113.8D592D592-K595 HydrophobicContact CB-CB 4.17Å; D592-K595 HydrophobicContact CB-CD 4.41Å; D592-K595 HydrophobicContact CB-CG 4.41Å; D592-K595 PolarHBondContact O-N 3.39Å; D592-K595 WeakPolarHBondContact OD2-CD 3.36Å; D592-K595 WeakPolarHBondContact OD2-CE 3.43Å; D592-K595 IonicContact OD2-NZ 3.52Å
596D80.4Confident89.9Confident40 Ų4058.4 Ų58.421%0.21432%0.316CS..Hα-helixtrans-82.3-25.8-173.2-71-51.3000112D592 K600 I601D592-D596 PolarHBondContact N-OD2 2.69Å; D592-D596 WeakPolarHBondContact O-CB 3.37Å; D592-D596 PolarHBondContact O-N 2.83Å; D596-K600 HydrophobicContact CB-CD 4.22Å; D596-K600 WeakPolarHBondContact O-CB 3.37Å; D596-K600 IonicContact OD1-NZ 3.43Å; D596-K600 PolarHBondContact OD1-NZ 3.14Å; D596-I601 HydrophobicContact CB-CD1 4.11Å; D596-I601 HydrophobicContact CB-CG1 3.86Å
597G86.1Confident90Very high26 Ų2662.1 Ų62.127%0.26833%0.33SS..  trans72.7163.3-176.600000113I601G597-I601 VanDerWaalsContact O-CG1 3.3Å; G597-I601 WeakPolarHBondContact O-CG1 3.46Å; G597-I601 PolarHBondContact O-N 3.42Å
598E90.7Very high90Very high88 Ų8861 Ų6141%0.41132%0.321SS..Hα-helixtrans-66.6-44-173.1-178177.9171.900113.2Y539 K600 I601 K602Y539-E598 HydrophobicContact CD1-CG 3.95Å; Y539-E598 HydrophobicContact CD2-CG 3.93Å; Y539-E598 HydrophobicContact CE1-CB 4.19Å; Y539-E598 HydrophobicContact CE1-CG 3.93Å; Y539-E598 HydrophobicContact CE2-CB 4.21Å; Y539-E598 HydrophobicContact CE2-CG 3.94Å; Y539-E598 HydrophobicContact CG-CG 3.96Å; E598-K600 PolarHBondContact O-N 3.17Å; E598-I601 PolarHBondContact O-N 2.9Å; E598-K602 HydrophobicContact CG-CD 4.08Å; E598-K602 WeakPolarHBondContact O-CG 3.33Å; E598-K602 PolarHBondContact O-N 3.16Å; E598-K602 VanDerWaalsContact OE1-CE 3.27Å; E598-K602 WeakPolarHBondContact OE1-CE 3.42Å; E598-K602 IonicContact OE1-NZ 3.6Å; E598-K602 PolarHBondContact OE1-NZ 2.78Å
599T90.8Very high90.1Very high120 Ų12063 Ų6374%0.73633%0.332SS*.Hα-helixtrans-65.9-41.9-173.849.10000112.4K602 A603T599-K602 PolarHBondContact O-N 3.25Å; T599-A603 WeakPolarHBondContact O-CB 3.25Å; T599-A603 PolarHBondContact O-N 3.32Å
600K92.6Very high90.2Very high100 Ų10067 Ų6744%0.43535%0.351SS..Hα-helixtrans-66.4-45.2178.2-170.9-175.4170.7-162.20111.4D596 E598 K602 A603 E604D596-K600 HydrophobicContact CB-CD 4.22Å; D596-K600 WeakPolarHBondContact O-CB 3.37Å; D596-K600 IonicContact OD1-NZ 3.43Å; D596-K600 PolarHBondContact OD1-NZ 3.14Å; E598-K600 PolarHBondContact O-N 3.17Å; K600-K602 VanDerWaalsContact C-N 3.34Å; K600-K602 PolarHBondContact O-N 3.35Å; K600-A603 PolarHBondContact O-N 2.89Å; K600-E604 WeakPolarHBondContact CE-OE1 3.24Å; K600-E604 WeakPolarHBondContact O-CG 3.39Å; K600-E604 PolarHBondContact O-N 2.84Å
601I92.6Very high90.3Very high0 Ų064.2 Ų64.20%034%0.341CS..Hα-helixtrans-60.4-45.4177.8-68.4173.8000110.5Y539 K591 D596 G597 E598 A603 E604 Y605Y539-I601 HydrophobicContact CE2-CD1 4.35Å; Y539-I601 HydrophobicContact CE2-CG2 4.43Å; K591-I601 HydrophobicContact CB-CD1 4.28Å; K591-I601 HydrophobicContact CB-CG1 4.31Å; D596-I601 HydrophobicContact CB-CD1 4.11Å; D596-I601 HydrophobicContact CB-CG1 3.86Å; G597-I601 VanDerWaalsContact O-CG1 3.3Å; G597-I601 WeakPolarHBondContact O-CG1 3.46Å; G597-I601 PolarHBondContact O-N 3.42Å; E598-I601 PolarHBondContact O-N 2.9Å; I601-A603 PolarHBondContact O-N 3.45Å; I601-E604 PolarHBondContact O-N 2.83Å; I601-Y605 HydrophobicContact CG2-CD2 3.86Å; I601-Y605 HydrophobicContact CG2-CE1 4.21Å; I601-Y605 HydrophobicContact CG2-CE2 3.37Å; I601-Y605 HydrophobicContact CG2-CG 4.46Å; I601-Y605 VanDerWaalsContact O-CG 3.28Å; I601-Y605 PolarHBondContact O-N 2.91Å
602K92.6Very high90.5Very high97 Ų9761.5 Ų61.542%0.42233%0.329SS..Hα-helixtrans-61.7-43.3177-76.7-180169.6175.80112.4E598 T599 K600 Y605 A606E598-K602 HydrophobicContact CG-CD 4.08Å; E598-K602 WeakPolarHBondContact O-CG 3.33Å; E598-K602 PolarHBondContact O-N 3.16Å; E598-K602 VanDerWaalsContact OE1-CE 3.27Å; E598-K602 WeakPolarHBondContact OE1-CE 3.42Å; E598-K602 IonicContact OE1-NZ 3.6Å; E598-K602 PolarHBondContact OE1-NZ 2.78Å; T599-K602 PolarHBondContact O-N 3.25Å; K600-K602 VanDerWaalsContact C-N 3.34Å; K600-K602 PolarHBondContact O-N 3.35Å; K602-Y605 PolarHBondContact O-N 2.76Å; K602-A606 WeakPolarHBondContact O-CB 3.09Å; K602-A606 PolarHBondContact O-N 3.07Å
603A93.3Very high90.7Very high60 Ų6064.1 Ų64.150%0.49634%0.341SS..Hα-helixtrans-63.7-43.4177.900000112.1T599 K600 I601 Y605 A606 Q607T599-A603 WeakPolarHBondContact O-CB 3.25Å; T599-A603 PolarHBondContact O-N 3.32Å; K600-A603 PolarHBondContact O-N 2.89Å; I601-A603 PolarHBondContact O-N 3.45Å; A603-Y605 VanDerWaalsContact C-N 3.34Å; A603-Y605 PolarHBondContact O-N 3.01Å; A603-A606 PolarHBondContact O-N 2.93Å; A603-Q607 WeakPolarHBondContact O-CB 3.25Å; A603-Q607 PolarHBondContact O-N 3.09Å
604E92.6Very high91.1Very high49 Ų4967 Ų6723%0.22936%0.355CS..Hα-helixtrans-64.7-37.4177.1-72.6179175.800112.5K591 K600 I601 L608K591-E604 WeakPolarHBondContact CD-OE2 3.48Å; K591-E604 WeakPolarHBondContact CE-OE2 3.21Å; K591-E604 IonicContact NZ-OE1 3.26Å; K591-E604 IonicContact NZ-OE2 3.26Å; K591-E604 PolarHBondContact NZ-OE2 3.11Å; K600-E604 WeakPolarHBondContact CE-OE1 3.24Å; K600-E604 WeakPolarHBondContact O-CG 3.39Å; K600-E604 PolarHBondContact O-N 2.84Å; I601-E604 PolarHBondContact O-N 2.83Å; E604-L608 WeakPolarHBondContact O-CB 3.3Å; E604-L608 PolarHBondContact O-N 3.31Å
605Y94Very high91.6Very high13 Ų1363.3 Ų63.35%0.05134%0.336CS..Hα-helixtrans-69.8-38.4175.9-68.3-11000112.3K540 I544 N547 M588 K591 I601 K602 A603 L608 L609K540-Y605 HydrophobicContact CG-CE2 4.48Å; I544-Y605 HydrophobicContact CG1-CE2 4.33Å; N547-Y605 PolarHBondContact ND2-O 2.81Å; N547-Y605 VanDerWaalsContact ND2-O 3.09Å; M588-Y605 HydrophobicContact CB-CE1 3.87Å; M588-Y605 HydrophobicContact CG-CD1 4.23Å; M588-Y605 HydrophobicContact CG-CE1 3.8Å; M588-Y605 PolarHBondContact O-OH 3.23Å; M588-Y605 HydrophobicContact SD-CD1 4.01Å; M588-Y605 HydrophobicContact SD-CE1 3.99Å; K591-Y605 HydrophobicContact CG-CE1 4.28Å; I601-Y605 HydrophobicContact CG2-CD2 3.86Å; I601-Y605 HydrophobicContact CG2-CE1 4.21Å; I601-Y605 HydrophobicContact CG2-CE2 3.37Å; I601-Y605 HydrophobicContact CG2-CG 4.46Å; I601-Y605 VanDerWaalsContact O-CG 3.28Å; I601-Y605 PolarHBondContact O-N 2.91Å; K602-Y605 PolarHBondContact O-N 2.76Å; A603-Y605 VanDerWaalsContact C-N 3.34Å; A603-Y605 PolarHBondContact O-N 3.01Å; Y605-L608 PolarHBondContact O-N 3.11Å; Y605-L609 PolarHBondContact O-N 2.61Å; Y605-L609 VanDerWaalsContact O-N 3.11Å
606A93.9Very high92Very high53 Ų5355.5 Ų55.544%0.43830%0.302SS..Hα-helixtrans-65.2-42.1173.400000111.7K602 A603 L608 L609 E610K602-A606 WeakPolarHBondContact O-CB 3.09Å; K602-A606 PolarHBondContact O-N 3.07Å; A603-A606 PolarHBondContact O-N 2.93Å; A606-L608 VanDerWaalsContact C-N 3.35Å; A606-L608 PolarHBondContact O-N 2.82Å; A606-L609 WeakPolarHBondContact O-CB 3.28Å; A606-L609 PolarHBondContact O-N 3.17Å; A606-E610 PolarHBondContact O-N 3.14Å
607Q94.4Very high92.4Very high112 Ų11260.6 Ų60.652%0.52332%0.318SS..Hα-helixtrans-63.5-40.5175.6-172.317411.500111.8A603 L609 E610 D611A603-Q607 WeakPolarHBondContact O-CB 3.25Å; A603-Q607 PolarHBondContact O-N 3.09Å; Q607-L609 VanDerWaalsContact C-N 3.28Å; Q607-L609 PolarHBondContact O-N 3.5Å; Q607-E610 PolarHBondContact O-N 2.83Å; Q607-D611 WeakPolarHBondContact O-CB 3.17Å; Q607-D611 PolarHBondContact O-N 3.15Å
608L94Very high92.5Very high7 Ų764 Ų644%0.03733%0.334CS..Hα-helixtrans-61.3-37.7174.5178.360.8000112.2R584 I585 M588 E604 Y605 A606 M612R584-L608 HydrophobicContact CB-CD1 3.68Å; R584-L608 HydrophobicContact CB-CD2 4.35Å; I585-L608 HydrophobicContact CG1-CD2 4.26Å; M588-L608 HydrophobicContact CG-CD2 3.98Å; M588-L608 HydrophobicContact SD-CD2 3.84Å; E604-L608 WeakPolarHBondContact O-CB 3.3Å; E604-L608 PolarHBondContact O-N 3.31Å; Y605-L608 PolarHBondContact O-N 3.11Å; A606-L608 VanDerWaalsContact C-N 3.35Å; A606-L608 PolarHBondContact O-N 2.82Å; L608-M612 VanDerWaalsContact O-CB 3.27Å; L608-M612 PolarHBondContact O-N 3.25Å; L608-M612 WeakPolarHBondContact O-CB 3.43Å
609L93.8Very high92.2Very high46 Ų4661.1 Ų61.124%0.24132%0.322CS..Hα-helixtrans-64.1-43.4175178.862.6000111.7A550 Y605 A606 Q607 M612 Q613A550-L609 HydrophobicContact CB-CD1 3.65Å; Y605-L609 PolarHBondContact O-N 2.61Å; Y605-L609 VanDerWaalsContact O-N 3.11Å; A606-L609 WeakPolarHBondContact O-CB 3.28Å; A606-L609 PolarHBondContact O-N 3.17Å; Q607-L609 VanDerWaalsContact C-N 3.28Å; Q607-L609 PolarHBondContact O-N 3.5Å; L609-M612 VanDerWaalsContact CD1-CE 3.49Å; L609-M612 PolarHBondContact O-N 2.87Å; L609-M612 HydrophobicContact CD1-CE 3.49Å; L609-Q613 WeakPolarHBondContact O-CG 3.46Å; L609-Q613 PolarHBondContact O-N 3.22Å
610E94.6Very high91.7Very high120 Ų12060 Ų6056%0.56131%0.308SS*.Hα-helixtrans-63.5-46175.1-71.3-176.4174.900112.1A606 Q607 M612 Q613 N614A606-E610 PolarHBondContact O-N 3.14Å; Q607-E610 PolarHBondContact O-N 2.83Å; E610-M612 VanDerWaalsContact C-N 3.27Å; E610-M612 PolarHBondContact O-N 2.82Å; E610-Q613 PolarHBondContact O-N 2.96Å; E610-N614 PolarHBondContact O-ND2 3.17Å; E610-N614 PolarHBondContact O-N 2.86Å; E610-N614 VanDerWaalsContact O-CG 3.31Å
611D93.9Very high90.9Very high50 Ų5065.3 Ų65.327%0.26733%0.334SS..Hα-helixtrans-58.7-41.5177.2-66.9-26.4000111.1R584 Q607 N614 A615R584-D611 IonicContact CZ-OD2 3.64Å; R584-D611 VanDerWaalsContact CZ-OD2 3.25Å; R584-D611 IonicContact NH1-OD2 2.83Å; R584-D611 PolarHBondContact NH1-OD2 3.44Å; R584-D611 IonicContact NH2-OD2 2.87Å; R584-D611 PolarHBondContact NH2-OD2 3.16Å; Q607-D611 WeakPolarHBondContact O-CB 3.17Å; Q607-D611 PolarHBondContact O-N 3.15Å; D611-N614 PolarHBondContact O-N 2.67Å; D611-A615 WeakPolarHBondContact O-CB 3.49Å; D611-A615 PolarHBondContact O-N 2.76Å
612M93.8Very high90.8Very high1 Ų168.6 Ų68.61%0.00535%0.351CS..Hα-helixtrans-64.8-46.8176.9179.1173.166.600112A550 F551 L554 I581 I585 L608 L609 E610 N614 A615 F616A550-M612 HydrophobicContact CB-CE 3.69Å; F551-M612 VanDerWaalsContact CA-SD 3.58Å; F551-M612 HydrophobicContact CB-CE 4.34Å; F551-M612 HydrophobicContact CB-SD 3.5Å; F551-M612 VanDerWaalsContact CB-SD 3.5Å; F551-M612 HydrophobicContact CD2-CG 4.38Å; F551-M612 HydrophobicContact CD2-SD 3.67Å; F551-M612 HydrophobicContact CG-SD 4.08Å; L554-M612 HydrophobicContact CD1-CE 4.07Å; L554-M612 HydrophobicContact CD1-CG 4.15Å; I581-M612 HydrophobicContact CG2-CB 4.19Å; I581-M612 HydrophobicContact CG2-CG 4.17Å; I581-M612 HydrophobicContact CG2-SD 4.45Å; I585-M612 HydrophobicContact CD1-SD 4.31Å; L608-M612 VanDerWaalsContact O-CB 3.27Å; L608-M612 PolarHBondContact O-N 3.25Å; L608-M612 WeakPolarHBondContact O-CB 3.43Å; L609-M612 VanDerWaalsContact CD1-CE 3.49Å; L609-M612 PolarHBondContact O-N 2.87Å; L609-M612 HydrophobicContact CD1-CE 3.49Å; E610-M612 VanDerWaalsContact C-N 3.27Å; E610-M612 PolarHBondContact O-N 2.82Å; M612-N614 VanDerWaalsContact C-N 3.31Å; M612-N614 PolarHBondContact O-N 2.8Å; M612-A615 PolarHBondContact O-N 3.21Å; M612-F616 HydrophobicContact SD-CE2 4.42Å; M612-F616 PolarHBondContact O-N 2.96Å; M612-F616 WeakPolarHBondContact O-CD2 3.48Å; M612-F616 HydrophobicContact CG-CE2 3.76Å; M612-F616 HydrophobicContact CG-CD2 3.87Å; M612-F616 VanDerWaalsContact O-CD2 3.29Å
613Q93.3Very high90.7Very high73 Ų7367.1 Ų67.134%0.34135%0.347SS..Hα-helixtrans-60.7-40.9176.7-73.7176.9-2.200112L554 L609 E610 F616 R617L554-Q613 HydrophobicContact CD1-CG 4.04Å; L609-Q613 WeakPolarHBondContact O-CG 3.46Å; L609-Q613 PolarHBondContact O-N 3.22Å; E610-Q613 PolarHBondContact O-N 2.96Å; Q613-F616 PolarHBondContact O-N 3.4Å; Q613-R617 WeakPolarHBondContact O-CG 3.23Å; Q613-R617 PolarHBondContact O-N 2.92Å; Q613-R617 VanDerWaalsContact O-N 3.09Å
614N92.6Very high90.5Very high77 Ų7767.5 Ų67.541%0.41234%0.339SS..Hα-helixtrans-64.7-42.3177.1-70.1-29.8000111.6E610 D611 M612 F616 R617 T618E610-N614 PolarHBondContact O-ND2 3.17Å; E610-N614 PolarHBondContact O-N 2.86Å; E610-N614 VanDerWaalsContact O-CG 3.31Å; D611-N614 PolarHBondContact O-N 2.67Å; M612-N614 VanDerWaalsContact C-N 3.31Å; M612-N614 PolarHBondContact O-N 2.8Å; N614-F616 PolarHBondContact O-N 2.94Å; N614-R617 WeakPolarHBondContact O-CB 3.46Å; N614-R617 PolarHBondContact O-N 2.87Å; N614-T618 PolarHBondContact O-OG1 3.25Å; N614-T618 VanDerWaalsContact O-OG1 3.07Å; N614-T618 PolarHBondContact O-N 3.22Å
615A91.3Very high90.4Very high29 Ų2968.6 Ų68.624%0.2435%0.346CS..Hα-helixtrans-65.8-35.7177.200000113.4M578 I581 D611 M612 T618 L619M578-A615 HydrophobicContact CE-CB 4.08Å; I581-A615 HydrophobicContact CD1-CB 3.23Å; D611-A615 WeakPolarHBondContact O-CB 3.49Å; D611-A615 PolarHBondContact O-N 2.76Å; M612-A615 PolarHBondContact O-N 3.21Å; A615-T618 PolarHBondContact O-N 3.16Å; A615-L619 WeakPolarHBondContact O-CB 3.14Å; A615-L619 PolarHBondContact O-N 3.44Å
616F90.6Very high90.2Very high5 Ų572.1 Ų72.12%0.02236%0.364CS..Hα-helixtrans-66.3-38.2173-85.8-72.7000111.8F551 L554 A555 A558 I574 M578 M612 Q613 N614 L619 E620F551-F616 AromaticContact CD2-CE2 3.81Å; F551-F616 HydrophobicContact CD2-CE2 3.81Å; F551-F616 AromaticContact CD2-CZ 3.95Å; F551-F616 HydrophobicContact CD2-CZ 3.95Å; F551-F616 AromaticContact CE2-CE2 3.97Å; F551-F616 HydrophobicContact CE2-CE2 3.97Å; F551-F616 AromaticContact CE2-CZ 3.74Å; F551-F616 HydrophobicContact CE2-CZ 3.74Å; F551-F616 HydrophobicContact CZ-CZ 4.45Å; L554-F616 HydrophobicContact CB-CD1 4.29Å; L554-F616 HydrophobicContact CB-CD2 3.64Å; L554-F616 HydrophobicContact CB-CE1 4.3Å; L554-F616 HydrophobicContact CB-CE2 3.64Å; L554-F616 HydrophobicContact CB-CG 3.99Å; L554-F616 HydrophobicContact CB-CZ 3.98Å; L554-F616 HydrophobicContact CD1-CD2 3.67Å; L554-F616 HydrophobicContact CD1-CE2 4.08Å; L554-F616 HydrophobicContact CD1-CG 4.45Å; L554-F616 HydrophobicContact CG-CD2 4.24Å; A555-F616 HydrophobicContact CB-CE1 4.19Å; A555-F616 HydrophobicContact CB-CZ 4.01Å; A558-F616 HydrophobicContact CB-CD1 4.33Å; I574-F616 HydrophobicContact CG2-CE1 4.42Å; M578-F616 HydrophobicContact CE-CB 4.05Å; M578-F616 HydrophobicContact CE-CD1 3.33Å; M578-F616 HydrophobicContact CE-CD2 3.56Å; M578-F616 HydrophobicContact CE-CE1 3.5Å; M578-F616 VanDerWaalsContact CE-CE1 3.5Å; M578-F616 HydrophobicContact CE-CE2 3.73Å; M578-F616 HydrophobicContact CE-CG 3.36Å; M578-F616 HydrophobicContact CE-CZ 3.7Å; M578-F616 HydrophobicContact SD-CD1 4.22Å; M578-F616 HydrophobicContact SD-CD2 3.97Å; M578-F616 HydrophobicContact SD-CE1 3.78Å; M578-F616 HydrophobicContact SD-CE2 3.52Å; M578-F616 VanDerWaalsContact SD-CE2 3.52Å; M578-F616 HydrophobicContact SD-CG 4.3Å; M578-F616 HydrophobicContact SD-CZ 3.41Å; M578-F616 WeakPolarHBondContact SD-CZ 3.46Å; M612-F616 HydrophobicContact SD-CE2 4.42Å; M612-F616 PolarHBondContact O-N 2.96Å; M612-F616 WeakPolarHBondContact O-CD2 3.48Å; M612-F616 HydrophobicContact CG-CE2 3.76Å; M612-F616 HydrophobicContact CG-CD2 3.87Å; M612-F616 VanDerWaalsContact O-CD2 3.29Å; Q613-F616 PolarHBondContact O-N 3.4Å; N614-F616 PolarHBondContact O-N 2.94Å; F616-L619 PolarHBondContact O-N 2.92Å; F616-E620 PolarHBondContact O-N 3.29Å; F616-E620 VanDerWaalsContact O-N 3.11Å
617R88.7Confident90Very high146 Ų14673.3 Ų73.355%0.55136%0.359SS*.Hα-helixtrans-62.1-44.8173.1-70.2176.3-172.11604.9112Q613 N614 L619 E620 E621Q613-R617 WeakPolarHBondContact O-CG 3.23Å; Q613-R617 PolarHBondContact O-N 2.92Å; Q613-R617 VanDerWaalsContact O-N 3.09Å; N614-R617 WeakPolarHBondContact O-CB 3.46Å; N614-R617 PolarHBondContact O-N 2.87Å; R617-L619 PolarHBondContact O-N 2.73Å; R617-E620 PolarHBondContact O-N 2.79Å; R617-E621 WeakPolarHBondContact O-CG 3.45Å; R617-E621 PolarHBondContact O-N 2.84Å
618T87.8Confident89.6Confident99 Ų9970.6 Ų70.661%0.60735%0.347SS*.Hα-helixtrans-66.6-22.1177.1-50.90000113.2N614 A615N614-T618 PolarHBondContact O-OG1 3.25Å; N614-T618 VanDerWaalsContact O-OG1 3.07Å; N614-T618 PolarHBondContact O-N 3.22Å; A615-T618 PolarHBondContact O-N 3.16Å
619L85.3Confident89.3Confident27 Ų2775.5 Ų75.514%0.14137%0.371CS..Hα-helixtrans-81.4-29.1174.6-172.471.5000112.3I569 I574 H577 M578 A615 F616 R617I569-L619 HydrophobicContact CD1-CG 4.44Å; I569-L619 HydrophobicContact CG2-CD2 4.11Å; I574-L619 HydrophobicContact CG1-CD2 3.76Å; H577-L619 HydrophobicContact CB-CD1 3.97Å; M578-L619 HydrophobicContact CE-CB 4.46Å; M578-L619 HydrophobicContact CE-CD2 4.12Å; A615-L619 WeakPolarHBondContact O-CB 3.14Å; A615-L619 PolarHBondContact O-N 3.44Å; F616-L619 PolarHBondContact O-N 2.92Å; R617-L619 PolarHBondContact O-N 2.73Å
620E79.3Confident88.9Confident97 Ų9777.9 Ų77.945%0.45338%0.382SS..Hα-helixtrans-82.1-27177.4-72.6-178.2172.700113H557 I569 F616 R617H557-E620 IonicContact ND1-OE1 3.92Å; I569-E620 HydrophobicContact CD1-CG 4.25Å; F616-E620 PolarHBondContact O-N 3.29Å; F616-E620 VanDerWaalsContact O-N 3.11Å; R617-E620 PolarHBondContact O-N 2.79Å
621E76.3Confident88.4Confident211 Ų21174.1 Ų74.199%0.98637%0.366SS*.  trans-74.40169.5-71.5179.6-179.100112.4R617R617-E621 WeakPolarHBondContact O-CG 3.45Å; R617-E621 PolarHBondContact O-N 2.84Å

Retrieved 621 of 621 residues in 1313.4 ms (Link to these results)