A0A087XTE3_POEFO Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A087XTE3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 638 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
1M89.5Confident92.2Very high37 Ų3780.6 Ų80.618%0.18241%0.407CS..  0-13.20-90.7-68.4-67.100113.7R3 Y4 T6 I32 I69 E71 Y76M1-R3 PolarHBondContact O-N 3.03Å; M1-Y4 PolarHBondContact O-N 2.77Å; M1-T6 HydrophobicContact CE-CG2 4.41Å; M1-I32 HydrophobicContact CE-CD1 3.92Å; M1-I32 HydrophobicContact CE-CG2 4.2Å; M1-I32 HydrophobicContact SD-CG2 4.4Å; M1-I69 HydrophobicContact SD-CD1 4.38Å; M1-E71 WeakPolarHBondContact CA-OE2 3.36Å; M1-E71 WeakPolarHBondContact CB-OE2 3.3Å; M1-E71 WeakPolarHBondContact CG-OE2 3.19Å; M1-E71 PolarHBondContact N-OE1 3.42Å; M1-E71 PolarHBondContact N-OE2 3.26Å; M1-Y76 HydrophobicContact CG-CD1 4.36Å; M1-Y76 HydrophobicContact CG-CD2 4.39Å; M1-Y76 HydrophobicContact CG-CE1 4.21Å; M1-Y76 HydrophobicContact CG-CE2 4.26Å; M1-Y76 HydrophobicContact CG-CG 4.46Å; M1-Y76 HydrophobicContact SD-CD1 4Å; M1-Y76 HydrophobicContact SD-CE1 4.37Å; M1-Y76 HydrophobicContact SD-CG 4.12Å
2N90.2Very high91.3Very high144 Ų14482.4 Ų82.477%0.7742%0.419SS*.THydrogen-bonded Turntrans-58.1-11.8-160.3-51.66.3000117.4Y4 L24N2-Y4 VanDerWaalsContact C-N 3.32Å; N2-L24 WeakPolarHBondContact O-CD1 3.38Å
3R92.8Very high90.1Very high105 Ų10578.8 Ų78.840%0.39642%0.415SS..THydrogen-bonded Turntrans-84.30.1173.3-61.2-164.2-64.4125.83.4114.1M1 L24 E25 E67M1-R3 PolarHBondContact O-N 3.03Å; R3-L24 WeakPolarHBondContact O-CB 3.41Å; R3-L24 PolarHBondContact O-N 3.22Å; R3-E25 IonicContact CZ-OE2 3.3Å; R3-E25 IonicContact NH1-OE2 2.78Å; R3-E25 PolarHBondContact NH1-OE2 3.4Å; R3-E67 IonicContact CZ-OE1 2.62Å; R3-E67 IonicContact CZ-OE2 2.7Å; R3-E67 IonicContact NH2-OE1 3.96Å; R3-E67 PolarHBondContact NH2-OE1 2.82Å; R3-E67 IonicContact NH2-OE2 3.78Å; R3-E67 PolarHBondContact NH2-OE2 3.12Å
4Y95.5Very high88.8Confident26 Ų2679.4 Ų79.410%0.10242%0.424CS..EExtended strand (participates in β ladder)trans-132.5129.7-173.8-64.4-74000113.5M1 N2 R22 V30 I32 E67 I69 I78M1-Y4 PolarHBondContact O-N 2.77Å; N2-Y4 VanDerWaalsContact C-N 3.32Å; Y4-R22 WeakPolarHBondContact CA-O 3.47Å; Y4-V30 HydrophobicContact CD1-CG2 3.75Å; Y4-V30 HydrophobicContact CE1-CG1 4.24Å; Y4-V30 HydrophobicContact CE1-CG2 3.97Å; Y4-I32 HydrophobicContact CD1-CD1 4.45Å; Y4-I32 HydrophobicContact CG-CD1 4.17Å; Y4-E67 WeakPolarHBondContact CE2-OE2 3.48Å; Y4-E67 PolarHBondContact OH-OE2 3.03Å; Y4-I69 HydrophobicContact CD2-CD1 4.13Å; Y4-I69 HydrophobicContact CE2-CD1 3.97Å; Y4-I78 HydrophobicContact CD2-CD1 4.23Å; Y4-I78 HydrophobicContact CE1-CG2 4.01Å; Y4-I78 HydrophobicContact CE2-CD1 4.21Å; Y4-I78 HydrophobicContact CE2-CG1 4.03Å; Y4-I78 HydrophobicContact CE2-CG2 4.42Å
5T95.4Very high88Confident64 Ų6483.5 Ų83.539%0.39343%0.432SS..EExtended strand (participates in β ladder)trans-90.9128.3168.3-48.80000110L7 G21 R22 L24T5-L7 HydrophobicContact CG2-CD2 4.25Å; T5-G21 CarbonylContact O-C 3.52Å; T5-G21 WeakPolarHBondContact O-CA 3.33Å; T5-R22 PolarHBondContact N-O 2.92Å; T5-R22 PolarHBondContact O-N 2.98Å; T5-L24 VanDerWaalsContact OG1-CD2 3.28Å; T5-L24 WeakPolarHBondContact OG1-CD2 3.44Å
6T95Very high87.7Confident81 Ų8178.8 Ų78.850%0.49741%0.41SS..EExtended strand (participates in β ladder)trans-80.5131.5170.850.20000111M1 I19M1-T6 HydrophobicContact CE-CG2 4.41Å; T6-I19 HydrophobicContact CG2-CG2 3.95Å
7L94.4Very high87.9Confident90 Ų9075.5 Ų75.547%0.47140%0.396SS..EExtended strand (participates in β ladder)trans-107-56.8-176.2-57.5-178000113.2T5 L20 R22 L29T5-L7 HydrophobicContact CG2-CD2 4.25Å; L7-L20 WeakPolarHBondContact CA-O 3.49Å; L7-L20 HydrophobicContact CB-CG 4.34Å; L7-L20 WeakPolarHBondContact CB-O 3.15Å; L7-L20 HydrophobicContact CD1-CG 4.27Å; L7-L20 PolarHBondContact N-O 2.84Å; L7-R22 HydrophobicContact CD1-CB 4.23Å; L7-L29 HydrophobicContact CD1-CD2 3.83Å
8R94.8Very high88.2Confident139 Ų13973.8 Ų73.853%0.52539%0.389SS..EExtended strand (participates in β ladder)trans-154.4155.4178.469.1179.1-177.7115.10.8111.6I19 L20R8-I19 CarbonylContact O-C 3.42Å; R8-I19 WeakPolarHBondContact O-CG2 3.28Å; R8-L20 HydrophobicContact CG-CB 3.98Å; R8-L20 HydrophobicContact CG-CD2 4.09Å; R8-L20 PolarHBondContact N-O 3.12Å; R8-L20 WeakPolarHBondContact O-CB 3.49Å; R8-L20 PolarHBondContact O-N 3.23Å
9Q93.6Very high88.5Confident114 Ų11472.1 Ų72.153%0.53338%0.379SS..EExtended strand (participates in β ladder)trans-70.6138.1170.9-165.7165.20.500110.9G11Q9-G11 WeakPolarHBondContact CG-O 3.49Å; Q9-G11 PolarHBondContact NE2-O 3Å
10L88.5Confident88.9Confident56 Ų5669.1 Ų69.129%0.29336%0.364SS..EExtended strand (participates in β ladder)trans-101.8-27.6173.8-67.2174.2000111.9V18 L20 A31 Y81L10-V18 HydrophobicContact CB-CB 4.48Å; L10-V18 HydrophobicContact CB-CG1 4.26Å; L10-V18 HydrophobicContact CD1-CG1 4.31Å; L10-V18 PolarHBondContact N-O 2.75Å; L10-L20 HydrophobicContact CD1-CB 3.88Å; L10-L20 HydrophobicContact CD2-CB 4.02Å; L10-L20 HydrophobicContact CG-CB 3.82Å; L10-A31 HydrophobicContact CD1-CB 4.39Å; L10-Y81 HydrophobicContact CD1-CD2 4.1Å; L10-Y81 HydrophobicContact CD1-CE2 3.86Å; L10-Y81 HydrophobicContact CD2-CE2 4.13Å
11G84.4Confident89.3Confident31 Ų3165.8 Ų65.832%0.3235%0.346SS..EExtended strand (participates in β ladder)trans-176.3172.6172.300000113.3Q9 V18Q9-G11 WeakPolarHBondContact CG-O 3.49Å; Q9-G11 PolarHBondContact NE2-O 3Å; G11-V18 PolarHBondContact N-O 2.97Å; G11-V18 VanDerWaalsContact N-O 3.16Å; G11-V18 PolarHBondContact O-N 3.13Å
12D82Confident89.7Confident102 Ų10269.7 Ų69.755%0.54536%0.359SS..EExtended strand (participates in β ladder)trans-130.1139.1164.6-167.538.4000109.6S17 K36D12-S17 WeakPolarHBondContact OD1-CB 3.32Å; D12-K36 WeakPolarHBondContact OD1-CE 3.21Å; D12-K36 IonicContact OD1-NZ 2.73Å; D12-K36 PolarHBondContact OD1-NZ 2.87Å; D12-K36 IonicContact OD2-NZ 3.85Å; D12-K36 PolarHBondContact OD2-NZ 3.02Å
13G75.3Confident89.9Confident36 Ų3663.1 Ų63.137%0.37132%0.324SS..  trans-138.2173.8-179.600000112.1Y15 G16 K36G13-Y15 VanDerWaalsContact C-N 3.26Å; G13-Y15 PolarHBondContact O-N 3.14Å; G13-G16 PolarHBondContact N-O 2.98Å; G13-G16 PolarHBondContact O-N 3.1Å; G13-K36 WeakPolarHBondContact O-CE 3.49Å; G13-K36 PolarHBondContact O-NZ 2.79Å
14T71.4Confident90Very high87 Ų8763.5 Ų63.553%0.53433%0.334SS..SBendtrans-56.2-39.6-176.8-430000112.7
15Y76.6Confident89.9Confident141 Ų14169.2 Ų69.255%0.55336%0.361SS*.SBendtrans-95.5-16-172.6-55.2-65.2000114.5G13 K36G13-Y15 VanDerWaalsContact C-N 3.26Å; G13-Y15 PolarHBondContact O-N 3.14Å; Y15-K36 PolarHBondContact O-N 3.42Å
16G84.6Confident89.7Confident8 Ų868.9 Ų68.98%0.08236%0.361CS..EExtended strand (participates in β ladder)trans179.1161.9-173.400000113.4G13 K34G13-G16 PolarHBondContact N-O 2.98Å; G13-G16 PolarHBondContact O-N 3.1Å; G16-K34 CarbonylContact C-O 3.43Å; G16-K34 WeakPolarHBondContact CA-O 3.25Å
17S89.8Confident89.6Confident23 Ų2366.6 Ų66.616%0.16135%0.354CS..EExtended strand (participates in β ladder)trans-98.6147.4168.859.10000110.2D12 K33 K34D12-S17 WeakPolarHBondContact OD1-CB 3.32Å; S17-K33 CarbonylContact O-C 3.56Å; S17-K33 WeakPolarHBondContact O-CA 3.21Å; S17-K34 PolarHBondContact N-O 3.11Å; S17-K34 PolarHBondContact O-N 2.87Å
18V93.1Very high89.6Confident45 Ų4564.8 Ų64.827%0.27334%0.343SS..EExtended strand (participates in β ladder)trans-117.4126.8-179.7-172.60000109.4L10 G11 A31 I32 K33L10-V18 HydrophobicContact CB-CB 4.48Å; L10-V18 HydrophobicContact CB-CG1 4.26Å; L10-V18 HydrophobicContact CD1-CG1 4.31Å; L10-V18 PolarHBondContact N-O 2.75Å; G11-V18 PolarHBondContact N-O 2.97Å; G11-V18 VanDerWaalsContact N-O 3.16Å; G11-V18 PolarHBondContact O-N 3.13Å; V18-A31 HydrophobicContact CG1-CB 4.37Å; V18-I32 WeakPolarHBondContact CA-O 3.36Å; V18-K33 HydrophobicContact CG2-CB 4.22Å; V18-K33 HydrophobicContact CG2-CG 4.31Å
19I95.3Very high89.7Confident40 Ų4061 Ų6121%0.20533%0.333CS..EExtended strand (participates in β ladder)trans-124.2131.3-172.6-51.9176.6000108.6T6 R8 G21 I32T6-I19 HydrophobicContact CG2-CG2 3.95Å; R8-I19 CarbonylContact O-C 3.42Å; R8-I19 WeakPolarHBondContact O-CG2 3.28Å; I19-G21 PolarHBondContact O-N 2.84Å; I19-I32 PolarHBondContact N-O 3.45Å; I19-I32 PolarHBondContact O-N 2.7Å
20L96.4Very high89.8Confident13 Ų1355.7 Ų55.77%0.06831%0.308CS..EExtended strand (participates in β ladder)trans-69.4122.6166.4177.656.2000108.2L7 R8 L10 L29 Y81L7-L20 WeakPolarHBondContact CA-O 3.49Å; L7-L20 HydrophobicContact CB-CG 4.34Å; L7-L20 WeakPolarHBondContact CB-O 3.15Å; L7-L20 HydrophobicContact CD1-CG 4.27Å; L7-L20 PolarHBondContact N-O 2.84Å; R8-L20 HydrophobicContact CG-CB 3.98Å; R8-L20 HydrophobicContact CG-CD2 4.09Å; R8-L20 PolarHBondContact N-O 3.12Å; R8-L20 WeakPolarHBondContact O-CB 3.49Å; R8-L20 PolarHBondContact O-N 3.23Å; L10-L20 HydrophobicContact CD1-CB 3.88Å; L10-L20 HydrophobicContact CD2-CB 4.02Å; L10-L20 HydrophobicContact CG-CB 3.82Å; L20-L29 HydrophobicContact CD1-CB 4.18Å; L20-L29 HydrophobicContact CD1-CD2 4.22Å; L20-Y81 HydrophobicContact CD1-CD1 4.25Å; L20-Y81 HydrophobicContact CD1-CD2 3.49Å; L20-Y81 VanDerWaalsContact CD1-CD2 3.49Å; L20-Y81 HydrophobicContact CD1-CE1 4.41Å; L20-Y81 HydrophobicContact CD1-CE2 3.68Å; L20-Y81 HydrophobicContact CD1-CG 3.79Å; L20-Y81 HydrophobicContact CD2-CE2 4.47Å
21G96.8Very high90.2Very high0 Ų053.7 Ų53.70%030%0.3CS..EExtended strand (participates in β ladder)trans-121.6174.2171.600000112.7T5 I19 L29 V30T5-G21 CarbonylContact O-C 3.52Å; T5-G21 WeakPolarHBondContact O-CA 3.33Å; I19-G21 PolarHBondContact O-N 2.84Å; G21-L29 WeakPolarHBondContact O-CA 3.41Å; G21-V30 PolarHBondContact N-O 2.9Å; G21-V30 PolarHBondContact O-N 2.94Å
22R96.9Very high90.8Very high119 Ų11952.3 Ų52.345%0.44929%0.285SS..EExtended strand (participates in β ladder)trans-124136.8168.4-165.7-174.7-73.3-95.911.3109.7Y4 T5 L7 G27 E28 L29Y4-R22 WeakPolarHBondContact CA-O 3.47Å; T5-R22 PolarHBondContact N-O 2.92Å; T5-R22 PolarHBondContact O-N 2.98Å; L7-R22 HydrophobicContact CD1-CB 4.23Å; R22-G27 WeakPolarHBondContact CD-O 3.46Å; R22-G27 WeakPolarHBondContact CG-O 3.42Å; R22-G27 PolarHBondContact NH1-O 2.99Å; R22-E28 CarbonylContact C-O 3.55Å; R22-E28 WeakPolarHBondContact CA-O 3.39Å; R22-E28 WeakPolarHBondContact CG-O 3.49Å; R22-L29 HydrophobicContact CB-CD2 4.4Å; R22-L29 HydrophobicContact CG-CD2 4.45Å
23S96Very high91.3Very high6 Ų648.7 Ų48.74%0.04227%0.265CS..EExtended strand (participates in β ladder)trans-65.7127.5166.5178.70000109.7E25 S26 G27 E28S23-E25 VanDerWaalsContact C-N 3.3Å; S23-E25 PolarHBondContact OG-N 3.41Å; S23-S26 WeakPolarHBondContact CB-OG 3.05Å; S23-S26 PolarHBondContact OG-N 2.94Å; S23-S26 VanDerWaalsContact OG-N 3.13Å; S23-S26 PolarHBondContact OG-OG 3.45Å; S23-G27 WeakPolarHBondContact O-CA 3.14Å; S23-G27 PolarHBondContact O-N 2.62Å; S23-E28 PolarHBondContact N-O 2.81Å
24L94.5Very high92.2Very high113 Ų11349.7 Ų49.759%0.59226%0.259SS*.THydrogen-bonded Turntrans-71.6-29.7172.6-70.7178.3000112.1N2 R3 T5N2-L24 WeakPolarHBondContact O-CD1 3.38Å; R3-L24 WeakPolarHBondContact O-CB 3.41Å; R3-L24 PolarHBondContact O-N 3.22Å; T5-L24 VanDerWaalsContact OG1-CD2 3.28Å; T5-L24 WeakPolarHBondContact OG1-CD2 3.44Å
25E92.4Very high93.1Very high145 Ų14546.5 Ų46.568%0.67824%0.238SC*.THydrogen-bonded Turntrans-81-41.2-173.8-174.2-176.6149.900112.4R3 S23R3-E25 IonicContact CZ-OE2 3.3Å; R3-E25 IonicContact NH1-OE2 2.78Å; R3-E25 PolarHBondContact NH1-OE2 3.4Å; S23-E25 VanDerWaalsContact C-N 3.3Å; S23-E25 PolarHBondContact OG-N 3.41Å
26S92.8Very high93.6Very high57 Ų5744.9 Ų44.940%0.39923%0.234SC..THydrogen-bonded Turntrans-113.1-4.2-176.161.90000114.3S23 E28S23-S26 WeakPolarHBondContact CB-OG 3.05Å; S23-S26 PolarHBondContact OG-N 2.94Å; S23-S26 VanDerWaalsContact OG-N 3.13Å; S23-S26 PolarHBondContact OG-OG 3.45Å; S26-E28 PolarHBondContact O-N 2.71Å; S26-E28 WeakPolarHBondContact OG-CG 3.35Å
27G92.6Very high93.8Very high33 Ų3351.6 Ų51.634%0.3426%0.257SS..  trans66.5-5.6-174.300000115.2R22 S23R22-G27 WeakPolarHBondContact CD-O 3.46Å; R22-G27 WeakPolarHBondContact CG-O 3.42Å; R22-G27 PolarHBondContact NH1-O 2.99Å; S23-G27 WeakPolarHBondContact O-CA 3.14Å; S23-G27 PolarHBondContact O-N 2.62Å
28E94.2Very high93.8Very high52 Ų5255.2 Ų55.224%0.24327%0.269CS..  trans-65.3147.4-176.3-67.6178.9163.900113.1R22 S23 S26 K66R22-E28 CarbonylContact C-O 3.55Å; R22-E28 WeakPolarHBondContact CA-O 3.39Å; R22-E28 WeakPolarHBondContact CG-O 3.49Å; S23-E28 PolarHBondContact N-O 2.81Å; S26-E28 PolarHBondContact O-N 2.71Å; S26-E28 WeakPolarHBondContact OG-CG 3.35Å; E28-K66 IonicContact OE2-NZ 3.79Å; E28-K66 PolarHBondContact OE2-NZ 2.9Å
29L96.3Very high93.7Very high61 Ų6153.2 Ų53.232%0.31926%0.257SS..EExtended strand (participates in β ladder)trans-76.2142167.5-64.3-180000111.3L7 L20 G21 R22 Y81L7-L29 HydrophobicContact CD1-CD2 3.83Å; L20-L29 HydrophobicContact CD1-CB 4.18Å; L20-L29 HydrophobicContact CD1-CD2 4.22Å; G21-L29 WeakPolarHBondContact O-CA 3.41Å; R22-L29 HydrophobicContact CB-CD2 4.4Å; R22-L29 HydrophobicContact CG-CD2 4.45Å; L29-Y81 HydrophobicContact CB-CD1 3.91Å; L29-Y81 HydrophobicContact CB-CG 4.07Å; L29-Y81 HydrophobicContact CD1-CD1 3.87Å; L29-Y81 HydrophobicContact CD1-CE1 4.08Å
30V96.9Very high93.5Very high1 Ų158.4 Ų58.41%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-137.5151.9-179.8-69.30000111.5Y4 G21 I32 K66 I78 F79Y4-V30 HydrophobicContact CD1-CG2 3.75Å; Y4-V30 HydrophobicContact CE1-CG1 4.24Å; Y4-V30 HydrophobicContact CE1-CG2 3.97Å; G21-V30 PolarHBondContact N-O 2.9Å; G21-V30 PolarHBondContact O-N 2.94Å; V30-I32 HydrophobicContact CG2-CD1 3.99Å; V30-I32 HydrophobicContact CG2-CG1 3.89Å; V30-K66 HydrophobicContact CG1-CD 4.11Å; V30-I78 HydrophobicContact CB-CG2 3.84Å; V30-I78 HydrophobicContact CG1-CG2 3.88Å; V30-I78 HydrophobicContact CG2-CG2 4.17Å; V30-F79 WeakPolarHBondContact CA-O 3.34Å; V30-F79 WeakPolarHBondContact CB-O 3.2Å
31A96.6Very high93.3Very high14 Ų1460.2 Ų60.212%0.11629%0.289CS..EExtended strand (participates in β ladder)trans-101.6117.1170.100000109.7L10 V18 F79L10-A31 HydrophobicContact CD1-CB 4.39Å; V18-A31 HydrophobicContact CG1-CB 4.37Å; A31-F79 HydrophobicContact CB-CB 4.29Å; A31-F79 PolarHBondContact N-O 3.38Å; A31-F79 PolarHBondContact O-N 2.97Å
32I95.8Very high92.9Very high2 Ų266.2 Ų66.21%0.0131%0.312CS..EExtended strand (participates in β ladder)trans-104.7102.2-173.6-54.3-172.1000108.4M1 Y4 V18 I19 V30 Y76 F77 I78M1-I32 HydrophobicContact CE-CD1 3.92Å; M1-I32 HydrophobicContact CE-CG2 4.2Å; M1-I32 HydrophobicContact SD-CG2 4.4Å; Y4-I32 HydrophobicContact CD1-CD1 4.45Å; Y4-I32 HydrophobicContact CG-CD1 4.17Å; V18-I32 WeakPolarHBondContact CA-O 3.36Å; I19-I32 PolarHBondContact N-O 3.45Å; I19-I32 PolarHBondContact O-N 2.7Å; V30-I32 HydrophobicContact CG2-CD1 3.99Å; V30-I32 HydrophobicContact CG2-CG1 3.89Å; I32-Y76 HydrophobicContact CG2-CD1 4.15Å; I32-F77 WeakPolarHBondContact CA-O 3.13Å; I32-I78 HydrophobicContact CB-CD1 4.3Å; I32-I78 HydrophobicContact CD1-CD1 4.11Å; I32-I78 HydrophobicContact CG1-CD1 3.88Å; I32-I78 HydrophobicContact CG2-CD1 3.87Å
33K93.7Very high92.5Very high27 Ų2767.2 Ų67.212%0.11732%0.321CS..EExtended strand (participates in β ladder)trans-89.2100.9176.7174175.2166.2-173.80108.6S17 V18 M35 E50 Y76 F77 F79 D143S17-K33 CarbonylContact O-C 3.56Å; S17-K33 WeakPolarHBondContact O-CA 3.21Å; V18-K33 HydrophobicContact CG2-CB 4.22Å; V18-K33 HydrophobicContact CG2-CG 4.31Å; K33-M35 HydrophobicContact CD-SD 4.46Å; K33-M35 HydrophobicContact CG-SD 4.17Å; K33-E50 IonicContact NZ-OE1 2.92Å; K33-E50 PolarHBondContact NZ-OE1 3.27Å; K33-E50 IonicContact NZ-OE2 3.49Å; K33-E50 PolarHBondContact NZ-OE2 3.24Å; K33-Y76 WeakPolarHBondContact O-CA 3.44Å; K33-F77 HydrophobicContact CB-CB 4.31Å; K33-F77 HydrophobicContact CD-CD2 4.16Å; K33-F77 HydrophobicContact CG-CD2 4.36Å; K33-F77 PolarHBondContact N-O 3.21Å; K33-F77 PolarHBondContact O-N 3.24Å; K33-F79 HydrophobicContact CB-CD2 4.47Å; K33-F79 HydrophobicContact CB-CE2 4.17Å; K33-F79 HydrophobicContact CD-CE2 4.19Å; K33-D143 IonicContact NZ-OD1 2.75Å
34K93.1Very high92.1Very high56 Ų5669.2 Ų69.224%0.24333%0.33CS..EExtended strand (participates in β ladder)trans-82.1120.3172.4-180178-177.11650109G16 S17 H74 Y76G16-K34 CarbonylContact C-O 3.43Å; G16-K34 WeakPolarHBondContact CA-O 3.25Å; S17-K34 PolarHBondContact N-O 3.11Å; S17-K34 PolarHBondContact O-N 2.87Å; K34-H74 WeakPolarHBondContact CE-CD2 3.19Å; K34-H74 PolarHBondContact NZ-CD2 3.38Å; K34-Y76 HydrophobicContact CB-CD1 3.8Å; K34-Y76 HydrophobicContact CB-CE1 3.82Å; K34-Y76 HydrophobicContact CD-CD1 4.44Å; K34-Y76 HydrophobicContact CD-CE1 3.6Å; K34-Y76 HydrophobicContact CG-CD1 3.92Å; K34-Y76 HydrophobicContact CG-CE1 3.54Å; K34-Y76 PolarHBondContact NZ-OH 3.24Å
35M90.3Very high91.7Very high20 Ų2063.9 Ų63.910%0.09930%0.302CS..EExtended strand (participates in β ladder)trans-72.9140.1176.4-58.9-57-70.600111.1K33 F39 L75 F77K33-M35 HydrophobicContact CD-SD 4.46Å; K33-M35 HydrophobicContact CG-SD 4.17Å; M35-F39 HydrophobicContact CB-CE2 3.95Å; M35-F39 HydrophobicContact CG-CE2 4.3Å; M35-L75 HydrophobicContact CB-CB 4.22Å; M35-L75 HydrophobicContact CG-CB 4.08Å; M35-L75 HydrophobicContact CG-CD2 4.32Å; M35-L75 HydrophobicContact CG-CG 4.23Å; M35-L75 PolarHBondContact N-O 2.93Å; M35-F77 HydrophobicContact CE-CE2 4.46Å; M35-F77 HydrophobicContact CG-CD2 4.44Å; M35-F77 HydrophobicContact CG-CE2 4.04Å; M35-F77 HydrophobicContact SD-CD2 4.03Å; M35-F77 HydrophobicContact SD-CE2 3.69Å
36K87.8Confident91.4Very high108 Ų10858.5 Ų58.547%0.4728%0.277SS..EExtended strand (participates in β ladder)trans-79.3-27.3176.6-81.3171.1177.51760113.1D12 G13 Y15D12-K36 WeakPolarHBondContact OD1-CE 3.21Å; D12-K36 IonicContact OD1-NZ 2.73Å; D12-K36 PolarHBondContact OD1-NZ 2.87Å; D12-K36 IonicContact OD2-NZ 3.85Å; D12-K36 PolarHBondContact OD2-NZ 3.02Å; G13-K36 WeakPolarHBondContact O-CE 3.49Å; G13-K36 PolarHBondContact O-NZ 2.79Å; Y15-K36 PolarHBondContact O-N 3.42Å
37R88.4Confident91Very high149 Ų14959.5 Ų59.556%0.56228%0.278SS*.EExtended strand (participates in β ladder)trans-73.6135.4169.5166171.1171163-1.8109.6F39 E44R37-F39 HydrophobicContact CB-CE2 3.94Å; R37-F39 HydrophobicContact CB-CZ 4.2Å; R37-F39 HydrophobicContact CG-CD2 4.21Å; R37-F39 HydrophobicContact CG-CE1 4.27Å; R37-F39 HydrophobicContact CG-CE2 3.72Å; R37-F39 HydrophobicContact CG-CZ 3.75Å; R37-F39 VanDerWaalsContact O-CD2 3.24Å; R37-F39 WeakPolarHBondContact O-CD2 3.45Å; R37-F39 VanDerWaalsContact O-CE2 3.28Å; R37-F39 WeakPolarHBondContact O-CE2 3.2Å; R37-E44 IonicContact CZ-OE1 3.48Å; R37-E44 IonicContact NE-OE1 3.42Å; R37-E44 PolarHBondContact NE-OE1 2.97Å; R37-E44 IonicContact NH2-OE1 3.42Å; R37-E44 PolarHBondContact NH2-OE1 3.32Å
38K90.3Very high90.6Very high98 Ų9860 Ų6043%0.42627%0.273SS..EExtended strand (participates in β ladder)trans-73.9147.9164.8-74.4-170.7172.6-165.50111.1Y40 D73K38-Y40 HydrophobicContact CB-CE1 4.36Å; K38-Y40 HydrophobicContact CB-CE2 4.43Å; K38-Y40 HydrophobicContact CD-CE1 4.16Å; K38-D73 CarbonylContact C-O 3.57Å; K38-D73 VanDerWaalsContact CA-O 3.22Å; K38-D73 WeakPolarHBondContact CA-O 3.42Å; K38-D73 HydrophobicContact CB-CB 4.19Å; K38-D73 HydrophobicContact CD-CB 4.05Å; K38-D73 HydrophobicContact CG-CB 4.2Å
39F90.4Very high89.9Confident3 Ų363 Ų631%0.01328%0.282CS..  trans-132.2118.9177.3-67.1-91.8000108.9M35 R37 E44 C45 L48 R70 D73 L75M35-F39 HydrophobicContact CB-CE2 3.95Å; M35-F39 HydrophobicContact CG-CE2 4.3Å; R37-F39 HydrophobicContact CB-CE2 3.94Å; R37-F39 HydrophobicContact CB-CZ 4.2Å; R37-F39 HydrophobicContact CG-CD2 4.21Å; R37-F39 HydrophobicContact CG-CE1 4.27Å; R37-F39 HydrophobicContact CG-CE2 3.72Å; R37-F39 HydrophobicContact CG-CZ 3.75Å; R37-F39 VanDerWaalsContact O-CD2 3.24Å; R37-F39 WeakPolarHBondContact O-CD2 3.45Å; R37-F39 VanDerWaalsContact O-CE2 3.28Å; R37-F39 WeakPolarHBondContact O-CE2 3.2Å; F39-E44 VanDerWaalsContact CA-OE2 3.29Å; F39-E44 WeakPolarHBondContact CA-OE2 3.46Å; F39-E44 HydrophobicContact CD1-CB 4.45Å; F39-E44 VanDerWaalsContact CD1-CD 3.49Å; F39-E44 HydrophobicContact CD1-CG 3.83Å; F39-E44 WeakPolarHBondContact CD1-OE1 3.48Å; F39-E44 HydrophobicContact CE1-CG 4.47Å; F39-C45 WeakPolarHBondContact CB-SG 3.06Å; F39-L48 HydrophobicContact CE1-CD1 3.84Å; F39-L48 HydrophobicContact CE1-CD2 3.92Å; F39-L48 HydrophobicContact CE1-CG 4.17Å; F39-L48 HydrophobicContact CZ-CD1 3.89Å; F39-L48 HydrophobicContact CZ-CD2 4.25Å; F39-R70 PolarHBondContact O-NH1 3.35Å; F39-D73 PolarHBondContact N-O 3.16Å; F39-L75 HydrophobicContact CD1-CD2 4.41Å; F39-L75 HydrophobicContact CD2-CB 3.49Å; F39-L75 VanDerWaalsContact CD2-CB 3.49Å; F39-L75 HydrophobicContact CD2-CD2 3.81Å; F39-L75 HydrophobicContact CD2-CG 4.32Å; F39-L75 HydrophobicContact CE1-CD2 4.44Å; F39-L75 HydrophobicContact CE2-CB 3.97Å; F39-L75 HydrophobicContact CE2-CD2 3.82Å; F39-L75 HydrophobicContact CG-CB 4.21Å; F39-L75 HydrophobicContact CG-CD2 4.12Å; F39-L75 HydrophobicContact CZ-CD2 4.15Å
40Y91.1Very high89.1Confident149 Ų14960.8 Ų60.858%0.58427%0.27SS*.  trans-92-26.5-168.5-61.3-70.9000112.9K38 E44 R70 D73K38-Y40 HydrophobicContact CB-CE1 4.36Å; K38-Y40 HydrophobicContact CB-CE2 4.43Å; K38-Y40 HydrophobicContact CD-CE1 4.16Å; Y40-E44 PolarHBondContact N-OE2 3.03Å; Y40-R70 PolarHBondContact O-NH1 3.07Å; Y40-R70 VanDerWaalsContact O-NH1 3.17Å; Y40-D73 HydrophobicContact CD1-CB 4.06Å; Y40-D73 VanDerWaalsContact CD1-CG 3.5Å; Y40-D73 HydrophobicContact CE1-CB 4.07Å; Y40-D73 WeakPolarHBondContact CE1-OD2 3.48Å
41S91.4Very high88.5Confident52 Ų5260.8 Ų60.836%0.36427%0.27SS..SBendtrans-116.8153.7173.785.90000112.6E43 E44 C45S41-E43 VanDerWaalsContact C-N 3.3Å; S41-E44 PolarHBondContact O-N 3.46Å; S41-E44 WeakPolarHBondContact OG-CB 3.27Å; S41-E44 PolarHBondContact OG-N 2.84Å; S41-C45 PolarHBondContact O-N 3.01Å; S41-C45 PolarHBondContact O-SG 3.12Å
42W88.6Confident87.9Confident126 Ų12664.7 Ų64.748%0.47729%0.285SS..Hα-helixtrans-67.9-33.9172.5-177.1-116.3000111.8E44 C45 M46 V68 R70W42-E44 PolarHBondContact O-N 2.89Å; W42-C45 HydrophobicContact CE3-CB 4.32Å; W42-C45 WeakPolarHBondContact O-CB 3.48Å; W42-C45 PolarHBondContact O-N 2.71Å; W42-M46 HydrophobicContact CD2-CE 4.15Å; W42-M46 HydrophobicContact CD2-CG 4.27Å; W42-M46 HydrophobicContact CE3-CE 4.2Å; W42-M46 HydrophobicContact CG-CG 4.36Å; W42-M46 HydrophobicContact CH2-CE 3.59Å; W42-M46 HydrophobicContact CZ2-CE 3.49Å; W42-M46 VanDerWaalsContact CZ2-CE 3.49Å; W42-M46 HydrophobicContact CZ2-CG 4.42Å; W42-M46 HydrophobicContact CZ2-SD 3.86Å; W42-M46 HydrophobicContact CZ3-CE 3.93Å; W42-M46 WeakPolarHBondContact O-CG 3.33Å; W42-M46 PolarHBondContact O-N 3.48Å; W42-V68 HydrophobicContact CH2-CB 4.18Å; W42-V68 HydrophobicContact CH2-CG1 4.14Å; W42-V68 WeakPolarHBondContact CH2-O 3.17Å; W42-V68 HydrophobicContact CZ3-CG1 4.21Å; W42-R70 HydrophobicContact CE3-CB 3.85Å; W42-R70 HydrophobicContact CZ3-CB 3.94Å
43E90Very high87.2Confident139 Ų13964.8 Ų64.865%0.6529%0.286SS*.Hα-helixtrans-60-44174176.1174.2-164.600111.7S41 C45 M46 N47S41-E43 VanDerWaalsContact C-N 3.3Å; E43-C45 VanDerWaalsContact C-N 3.28Å; E43-C45 PolarHBondContact O-N 3.48Å; E43-M46 PolarHBondContact O-N 3.02Å; E43-N47 WeakPolarHBondContact CG-ND2 3.4Å; E43-N47 VanDerWaalsContact O-CB 3.25Å; E43-N47 WeakPolarHBondContact O-CB 3.39Å; E43-N47 PolarHBondContact O-N 2.71Å; E43-N47 PolarHBondContact O-ND2 2.97Å; E43-N47 PolarHBondContact OE1-ND2 3.01Å
44E87.6Confident86.8Confident49 Ų4964.1 Ų64.123%0.22928%0.283CS..Hα-helixtrans-56.5-44.1175.4-166.7-163.9169.500111R37 F39 Y40 S41 W42 N47R37-E44 IonicContact CZ-OE1 3.48Å; R37-E44 IonicContact NE-OE1 3.42Å; R37-E44 PolarHBondContact NE-OE1 2.97Å; R37-E44 IonicContact NH2-OE1 3.42Å; R37-E44 PolarHBondContact NH2-OE1 3.32Å; F39-E44 VanDerWaalsContact CA-OE2 3.29Å; F39-E44 WeakPolarHBondContact CA-OE2 3.46Å; F39-E44 HydrophobicContact CD1-CB 4.45Å; F39-E44 VanDerWaalsContact CD1-CD 3.49Å; F39-E44 HydrophobicContact CD1-CG 3.83Å; F39-E44 WeakPolarHBondContact CD1-OE1 3.48Å; F39-E44 HydrophobicContact CE1-CG 4.47Å; Y40-E44 PolarHBondContact N-OE2 3.03Å; S41-E44 PolarHBondContact O-N 3.46Å; S41-E44 WeakPolarHBondContact OG-CB 3.27Å; S41-E44 PolarHBondContact OG-N 2.84Å; W42-E44 PolarHBondContact O-N 2.89Å; E44-N47 PolarHBondContact O-N 2.83Å
45C85.9Confident86.4Confident0 Ų068.2 Ų68.20%030%0.301CS..Hα-helixtrans-63.2-46.9176.5-56.80000112F39 S41 W42 E43 N47 L48 L75F39-C45 WeakPolarHBondContact CB-SG 3.06Å; S41-C45 PolarHBondContact O-N 3.01Å; S41-C45 PolarHBondContact O-SG 3.12Å; W42-C45 HydrophobicContact CE3-CB 4.32Å; W42-C45 WeakPolarHBondContact O-CB 3.48Å; W42-C45 PolarHBondContact O-N 2.71Å; E43-C45 VanDerWaalsContact C-N 3.28Å; E43-C45 PolarHBondContact O-N 3.48Å; C45-N47 VanDerWaalsContact C-N 3.28Å; C45-N47 PolarHBondContact O-N 2.85Å; C45-L48 WeakPolarHBondContact O-CB 3.17Å; C45-L48 WeakPolarHBondContact O-CG 3.47Å; C45-L48 PolarHBondContact O-N 2.74Å; C45-L75 HydrophobicContact CB-CD1 3.88Å; C45-L75 HydrophobicContact CB-CD2 4.02Å
46M86.1Confident86.1Confident32 Ų3273.9 Ų73.916%0.15833%0.325CS..Hα-helixtrans-71.5-22.4179.9-66.2-58.4100.400112.9W42 E43 L48 V51 K55 V68W42-M46 HydrophobicContact CD2-CE 4.15Å; W42-M46 HydrophobicContact CD2-CG 4.27Å; W42-M46 HydrophobicContact CE3-CE 4.2Å; W42-M46 HydrophobicContact CG-CG 4.36Å; W42-M46 HydrophobicContact CH2-CE 3.59Å; W42-M46 HydrophobicContact CZ2-CE 3.49Å; W42-M46 VanDerWaalsContact CZ2-CE 3.49Å; W42-M46 HydrophobicContact CZ2-CG 4.42Å; W42-M46 HydrophobicContact CZ2-SD 3.86Å; W42-M46 HydrophobicContact CZ3-CE 3.93Å; W42-M46 WeakPolarHBondContact O-CG 3.33Å; W42-M46 PolarHBondContact O-N 3.48Å; E43-M46 PolarHBondContact O-N 3.02Å; M46-L48 VanDerWaalsContact C-N 3.31Å; M46-L48 PolarHBondContact O-N 2.8Å; M46-V51 HydrophobicContact CE-CG1 4.15Å; M46-V51 HydrophobicContact SD-CG1 4.13Å; M46-K55 PolarHBondContact SD-NZ 2.86Å; M46-V68 HydrophobicContact CE-CB 4.09Å; M46-V68 HydrophobicContact CE-CG1 3.73Å; M46-V68 HydrophobicContact CE-CG2 4.4Å
47N84.6Confident86.2Confident78 Ų7869 Ų6942%0.41730%0.304SS..Hα-helixtrans-77.4-13.5178.6-92.6-48.3000114.2E43 E44 C45 K52E43-N47 WeakPolarHBondContact CG-ND2 3.4Å; E43-N47 VanDerWaalsContact O-CB 3.25Å; E43-N47 WeakPolarHBondContact O-CB 3.39Å; E43-N47 PolarHBondContact O-N 2.71Å; E43-N47 PolarHBondContact O-ND2 2.97Å; E43-N47 PolarHBondContact OE1-ND2 3.01Å; E44-N47 PolarHBondContact O-N 2.83Å; C45-N47 VanDerWaalsContact C-N 3.28Å; C45-N47 PolarHBondContact O-N 2.85Å; N47-K52 WeakPolarHBondContact O-CE 3.24Å; N47-K52 PolarHBondContact O-NZ 2.63Å; N47-K52 WeakPolarHBondContact OD1-CE 3.43Å; N47-K52 PolarHBondContact OD1-NZ 3.35Å
48L82.8Confident86.3Confident45 Ų4567.9 Ų67.924%0.23631%0.309CS..SBendtrans-58.3140.6177.7-70.4174.7000113.3F39 C45 M46 E50 V51 K52 L75 F77F39-L48 HydrophobicContact CE1-CD1 3.84Å; F39-L48 HydrophobicContact CE1-CD2 3.92Å; F39-L48 HydrophobicContact CE1-CG 4.17Å; F39-L48 HydrophobicContact CZ-CD1 3.89Å; F39-L48 HydrophobicContact CZ-CD2 4.25Å; C45-L48 WeakPolarHBondContact O-CB 3.17Å; C45-L48 WeakPolarHBondContact O-CG 3.47Å; C45-L48 PolarHBondContact O-N 2.74Å; M46-L48 VanDerWaalsContact C-N 3.31Å; M46-L48 PolarHBondContact O-N 2.8Å; L48-E50 PolarHBondContact O-N 3.14Å; L48-V51 HydrophobicContact CB-CB 4.42Å; L48-V51 HydrophobicContact CB-CG2 4.17Å; L48-V51 PolarHBondContact O-N 3.46Å; L48-K52 PolarHBondContact O-N 3.31Å; L48-L75 HydrophobicContact CD1-CD2 3.48Å; L48-L75 VanDerWaalsContact CD1-CD2 3.48Å; L48-F77 HydrophobicContact CD1-CZ 3.92Å
49R79.2Confident86.5Confident113 Ų11365.4 Ų65.443%0.42630%0.299SS..Hα-helixtrans-58.4-45.9178.1-64.2-178.5-173.4157.53.9112.1V51 K52 S53R49-V51 PolarHBondContact O-N 3.01Å; R49-K52 PolarHBondContact O-N 2.77Å; R49-S53 WeakPolarHBondContact O-CB 3.15Å; R49-S53 PolarHBondContact O-N 3.36Å; R49-S53 PolarHBondContact O-OG 2.97Å
50E81.4Confident86.7Confident15 Ų1566.8 Ų66.87%0.0731%0.311CS..Hα-helixtrans-55.4-48.7178.6-174.2168.9-177.900111.2K33 L48 S53 L54 F77K33-E50 IonicContact NZ-OE1 2.92Å; K33-E50 PolarHBondContact NZ-OE1 3.27Å; K33-E50 IonicContact NZ-OE2 3.49Å; K33-E50 PolarHBondContact NZ-OE2 3.24Å; L48-E50 PolarHBondContact O-N 3.14Å; E50-S53 PolarHBondContact O-N 2.79Å; E50-L54 HydrophobicContact CG-CD1 3.64Å; E50-L54 VanDerWaalsContact O-CB 3.31Å; E50-L54 WeakPolarHBondContact O-CB 3.43Å; E50-L54 WeakPolarHBondContact O-CD1 3.44Å; E50-L54 VanDerWaalsContact O-CG 3.27Å; E50-L54 WeakPolarHBondContact O-CG 3.43Å; E50-L54 PolarHBondContact O-N 3.39Å; E50-F77 HydrophobicContact CG-CE2 4.47Å
51V83.9Confident86.9Confident1 Ų159.8 Ų59.81%0.00628%0.283CS..Hα-helixtrans-65.5-45.5176.9-1800000111.9M46 L48 R49 S53 L54 K55 V68 F77M46-V51 HydrophobicContact CE-CG1 4.15Å; M46-V51 HydrophobicContact SD-CG1 4.13Å; L48-V51 HydrophobicContact CB-CB 4.42Å; L48-V51 HydrophobicContact CB-CG2 4.17Å; L48-V51 PolarHBondContact O-N 3.46Å; R49-V51 PolarHBondContact O-N 3.01Å; V51-S53 VanDerWaalsContact C-N 3.32Å; V51-S53 PolarHBondContact O-N 3.36Å; V51-L54 PolarHBondContact O-N 2.78Å; V51-K55 HydrophobicContact CG1-CD 4.03Å; V51-K55 HydrophobicContact CG1-CG 4.28Å; V51-K55 WeakPolarHBondContact O-CB 3.36Å; V51-K55 WeakPolarHBondContact O-CG 3.4Å; V51-K55 PolarHBondContact O-N 2.88Å; V51-V68 HydrophobicContact CG1-CG2 4.49Å; V51-V68 HydrophobicContact CG2-CG2 4.4Å; V51-F77 HydrophobicContact CG2-CD1 4.43Å; V51-F77 HydrophobicContact CG2-CE1 3.44Å; V51-F77 VanDerWaalsContact CG2-CE1 3.44Å; V51-F77 HydrophobicContact CG2-CZ 3.76Å
52K83.4Confident87.2Confident97 Ų9757.4 Ų57.442%0.42227%0.267SS..Hα-helixtrans-63.6-34.2179.5-78.5175.2172.3159.50113.5N47 L48 R49N47-K52 WeakPolarHBondContact O-CE 3.24Å; N47-K52 PolarHBondContact O-NZ 2.63Å; N47-K52 WeakPolarHBondContact OD1-CE 3.43Å; N47-K52 PolarHBondContact OD1-NZ 3.35Å; L48-K52 PolarHBondContact O-N 3.31Å; R49-K52 PolarHBondContact O-N 2.77Å
53S81.8Confident87.5Confident4 Ų451.6 Ų51.63%0.02825%0.245CC..Hα-helixtrans-75.5-53174.8-670000111.1R49 E50 V51 K55 K56 L57 F121R49-S53 WeakPolarHBondContact O-CB 3.15Å; R49-S53 PolarHBondContact O-N 3.36Å; R49-S53 PolarHBondContact O-OG 2.97Å; E50-S53 PolarHBondContact O-N 2.79Å; V51-S53 VanDerWaalsContact C-N 3.32Å; V51-S53 PolarHBondContact O-N 3.36Å; S53-K55 VanDerWaalsContact C-N 3.32Å; S53-K55 PolarHBondContact O-N 2.73Å; S53-K56 WeakPolarHBondContact O-CA 3.26Å; S53-K56 PolarHBondContact O-N 2.98Å; S53-L57 VanDerWaalsContact O-CG 3.28Å; S53-L57 WeakPolarHBondContact O-CG 3.4Å; S53-L57 PolarHBondContact O-N 3.4Å; S53-L57 VanDerWaalsContact O-N 3.15Å; S53-F121 WeakPolarHBondContact OG-CD1 3.35Å; S53-F121 WeakPolarHBondContact OG-CE1 3.28Å
54L84.9Confident87.6Confident13 Ų1350.3 Ų50.37%0.06824%0.237CC..Hα-helixtrans-63.8-33.9-176.1-71163.5000112.9E50 V51 K56 L57 I63 L65 F79 F144E50-L54 HydrophobicContact CG-CD1 3.64Å; E50-L54 VanDerWaalsContact O-CB 3.31Å; E50-L54 WeakPolarHBondContact O-CB 3.43Å; E50-L54 WeakPolarHBondContact O-CD1 3.44Å; E50-L54 VanDerWaalsContact O-CG 3.27Å; E50-L54 WeakPolarHBondContact O-CG 3.43Å; E50-L54 PolarHBondContact O-N 3.39Å; V51-L54 PolarHBondContact O-N 2.78Å; L54-K56 PolarHBondContact O-N 3.49Å; L54-L57 PolarHBondContact O-N 2.79Å; L54-I63 HydrophobicContact CD2-CG2 4.2Å; L54-I63 WeakPolarHBondContact CD2-O 3.43Å; L54-L65 HydrophobicContact CB-CB 3.99Å; L54-L65 HydrophobicContact CB-CD2 3.82Å; L54-L65 HydrophobicContact CD1-CB 4.2Å; L54-L65 HydrophobicContact CD1-CD2 4.08Å; L54-F79 HydrophobicContact CD1-CE1 3.7Å; L54-F79 HydrophobicContact CD1-CZ 3.93Å; L54-F144 HydrophobicContact CD2-CD2 3.67Å; L54-F144 HydrophobicContact CD2-CE2 3.99Å; L54-F144 HydrophobicContact CD2-CG 4.37Å; L54-F144 HydrophobicContact CG-CD2 4.24Å
55K84.6Confident87.9Confident141 Ų14149.4 Ų49.461%0.61323%0.234SC*.THydrogen-bonded Turntrans-62-20.2171.6-78.8-173.5174.9-171.80114.2M46 V51 S53M46-K55 PolarHBondContact SD-NZ 2.86Å; V51-K55 HydrophobicContact CG1-CD 4.03Å; V51-K55 HydrophobicContact CG1-CG 4.28Å; V51-K55 WeakPolarHBondContact O-CB 3.36Å; V51-K55 WeakPolarHBondContact O-CG 3.4Å; V51-K55 PolarHBondContact O-N 2.88Å; S53-K55 VanDerWaalsContact C-N 3.32Å; S53-K55 PolarHBondContact O-N 2.73Å
56K84.4Confident88.2Confident139 Ų13953.1 Ų53.160%0.60425%0.25SC*.THydrogen-bonded Turntrans-103.4-7.7177.7-66.9-174.6177.9-173.20113.5S53 L54 F121S53-K56 WeakPolarHBondContact O-CA 3.26Å; S53-K56 PolarHBondContact O-N 2.98Å; L54-K56 PolarHBondContact O-N 3.49Å; K56-F121 HydrophobicContact CB-CE2 4.19Å; K56-F121 HydrophobicContact CD-CE2 3.99Å; K56-F121 HydrophobicContact CD-CZ 4.11Å
57L88.8Confident88.5Confident7 Ų754.1 Ų54.14%0.03725%0.254CS..  trans-118.196.4-169.9-67.2172.2000111.3S53 L54 V62 F115 I116 H119 F121 F144S53-L57 VanDerWaalsContact O-CG 3.28Å; S53-L57 WeakPolarHBondContact O-CG 3.4Å; S53-L57 PolarHBondContact O-N 3.4Å; S53-L57 VanDerWaalsContact O-N 3.15Å; L54-L57 PolarHBondContact O-N 2.79Å; L57-V62 HydrophobicContact CB-CG1 4.27Å; L57-F115 HydrophobicContact CB-CE1 4.33Å; L57-F115 HydrophobicContact CD2-CD1 4.03Å; L57-F115 HydrophobicContact CD2-CE1 3.73Å; L57-I116 HydrophobicContact CD1-CG1 4.37Å; L57-I116 HydrophobicContact CD2-CG1 4.28Å; L57-H119 HydrophobicContact CD2-CB 3.83Å; L57-F121 HydrophobicContact CD1-CD2 4.39Å; L57-F121 HydrophobicContact CD2-CD2 4.29Å; L57-F121 HydrophobicContact CG-CD2 4.44Å; L57-F144 HydrophobicContact CD1-CD1 3.91Å; L57-F144 HydrophobicContact CD1-CE1 3.5Å; L57-F144 VanDerWaalsContact CD1-CE1 3.5Å; L57-F144 HydrophobicContact CD1-CZ 4.11Å
58N90.6Very high88.9Confident124 Ų12451.3 Ų51.366%0.66324%0.24SC*.  trans-121.3102.2177.1-179.232.6000110.1F115N58-F115 WeakPolarHBondContact O-CZ 3.25Å
59H94.4Very high89.5Confident47 Ų4750.3 Ų50.322%0.21824%0.235CC..  trans-151.3152.1-176.3-175.7-100.5000110.6N61 V62 F115H59-N61 VanDerWaalsContact C-N 3.3Å; H59-N61 PolarHBondContact CE1-OD1 3.32Å; H59-N61 PolarHBondContact ND1-N 2.92Å; H59-N61 PolarHBondContact O-N 2.86Å; H59-V62 HydrophobicContact CB-CB 4.17Å; H59-V62 HydrophobicContact CB-CG2 3.95Å; H59-V62 PolarHBondContact O-N 3.02Å; H59-V62 VanDerWaalsContact O-N 3.13Å; H59-F115 HydrophobicContact CB-CB 4.33Å; H59-F115 HydrophobicContact CB-CD1 3.6Å; H59-F115 HydrophobicContact CB-CD2 3.92Å; H59-F115 HydrophobicContact CB-CE1 3.78Å; H59-F115 HydrophobicContact CB-CE2 4.07Å; H59-F115 HydrophobicContact CB-CG 3.68Å; H59-F115 HydrophobicContact CB-CZ 4.02Å; H59-F115 AromaticContact CD2-CD2 3.48Å; H59-F115 VanDerWaalsContact CD2-CD2 3.48Å; H59-F115 WeakPolarHBondContact CD2-CD2 3.31Å; H59-F115 AromaticContact CD2-CG 3.69Å; H59-F115 AromaticContact CG-CD2 3.89Å; H59-F115 AromaticContact CG-CG 3.69Å
60A94.4Very high90.2Very high31 Ų3149.1 Ų49.126%0.25623%0.23SC..THydrogen-bonded Turntrans-53.8-46.7-17800000112.3V62 K140 L297A60-V62 VanDerWaalsContact C-N 3.35Å; A60-V62 PolarHBondContact O-N 3.09Å; A60-K140 WeakPolarHBondContact O-CE 3.38Å; A60-K140 WeakPolarHBondContact O-CG 3.31Å; A60-K140 PolarHBondContact O-NZ 3.41Å; A60-L297 HydrophobicContact CB-CD1 4.48Å
61N96.9Very high90.7Very high2 Ų251 Ų511%0.01124%0.239CC..THydrogen-bonded Turntrans-93.225.4-178.7-48.8104.3000114.4H59 Q108 V139 K140 I141H59-N61 VanDerWaalsContact C-N 3.3Å; H59-N61 PolarHBondContact CE1-OD1 3.32Å; H59-N61 PolarHBondContact ND1-N 2.92Å; H59-N61 PolarHBondContact O-N 2.86Å; N61-Q108 VanDerWaalsContact CB-O 3.26Å; N61-Q108 WeakPolarHBondContact CB-O 3.48Å; N61-Q108 WeakPolarHBondContact ND2-CB 3.25Å; N61-Q108 PolarHBondContact ND2-OE1 2.67Å; N61-V139 WeakPolarHBondContact CA-O 3.47Å; N61-V139 WeakPolarHBondContact CB-O 3.25Å; N61-V139 PolarHBondContact ND2-O 3.43Å; N61-K140 WeakPolarHBondContact O-CA 3.44Å; N61-I141 PolarHBondContact O-N 3.45Å
62V96Very high91.1Very high2 Ų257.6 Ų57.61%0.01227%0.274CS..BIsolated β-bridgetrans-123143.7169.6175.60000108.3L57 H59 A60 K64 I116 K140 F144L57-V62 HydrophobicContact CB-CG1 4.27Å; H59-V62 HydrophobicContact CB-CB 4.17Å; H59-V62 HydrophobicContact CB-CG2 3.95Å; H59-V62 PolarHBondContact O-N 3.02Å; H59-V62 VanDerWaalsContact O-N 3.13Å; A60-V62 VanDerWaalsContact C-N 3.35Å; A60-V62 PolarHBondContact O-N 3.09Å; V62-K64 PolarHBondContact O-N 3.46Å; V62-I116 HydrophobicContact CG2-CD1 4.01Å; V62-I116 HydrophobicContact CG2-CG1 4.02Å; V62-K140 PolarHBondContact O-NZ 3.3Å; V62-F144 HydrophobicContact CG1-CE2 3.83Å; V62-F144 HydrophobicContact CG1-CZ 3.7Å
63I95.3Very high91.6Very high5 Ų555.1 Ų55.13%0.02627%0.266CS..  trans-69.8123.5-179.9-161.466.9000111.2L54 L65 F79 E80 M82 L132 K140 I141 A142 F144L54-I63 HydrophobicContact CD2-CG2 4.2Å; L54-I63 WeakPolarHBondContact CD2-O 3.43Å; I63-L65 PolarHBondContact O-N 2.79Å; I63-F79 HydrophobicContact CG1-CB 4.34Å; I63-F79 HydrophobicContact CG1-CD1 3.82Å; I63-F79 HydrophobicContact CG1-CG 4.39Å; I63-F79 HydrophobicContact CG2-CD1 4.05Å; I63-F79 HydrophobicContact CG2-CE1 3.96Å; I63-E80 HydrophobicContact CD1-CG 3.55Å; I63-E80 HydrophobicContact CG1-CG 4.38Å; I63-M82 HydrophobicContact CD1-CG 3.66Å; I63-L132 HydrophobicContact CD1-CD1 3.89Å; I63-L132 HydrophobicContact CG1-CD1 4.18Å; I63-K140 HydrophobicContact CD1-CB 4.48Å; I63-K140 HydrophobicContact CD1-CD 3.96Å; I63-I141 WeakPolarHBondContact CG2-O 3.38Å; I63-I141 PolarHBondContact N-O 2.93Å; I63-A142 HydrophobicContact CB-CB 4Å; I63-A142 HydrophobicContact CG2-CB 3.71Å; I63-F144 HydrophobicContact CG2-CE2 4.4Å
64K93.3Very high92.1Very high111 Ų11157.4 Ų57.448%0.48328%0.276SS..  trans-81.6111.5-179.4-171.8176-179.2-179.40110.4V62 K66 F79 E80V62-K64 PolarHBondContact O-N 3.46Å; K64-K66 PolarHBondContact O-N 3.33Å; K64-F79 WeakPolarHBondContact O-CA 3.37Å; K64-E80 HydrophobicContact CB-CG 4.25Å; K64-E80 WeakPolarHBondContact CB-OE1 3.31Å; K64-E80 PolarHBondContact N-OE1 3.46Å; K64-E80 PolarHBondContact O-N 2.93Å; K64-E80 VanDerWaalsContact O-N 3.12Å
65L93.4Very high92.5Very high31 Ų3156.8 Ų56.816%0.16227%0.272CS..EExtended strand (participates in β ladder)trans-68.5110.9160.6-176.563.7000108.1L54 I63 E67 V68 F77 F79L54-L65 HydrophobicContact CB-CB 3.99Å; L54-L65 HydrophobicContact CB-CD2 3.82Å; L54-L65 HydrophobicContact CD1-CB 4.2Å; L54-L65 HydrophobicContact CD1-CD2 4.08Å; I63-L65 PolarHBondContact O-N 2.79Å; L65-E67 WeakPolarHBondContact CD1-O 3.28Å; L65-V68 HydrophobicContact CD1-CG2 4.33Å; L65-V68 HydrophobicContact CD2-CG2 3.83Å; L65-V68 HydrophobicContact CG-CG2 4.32Å; L65-F77 HydrophobicContact CD1-CB 3.82Å; L65-F77 HydrophobicContact CD1-CD1 4.3Å; L65-F77 HydrophobicContact CD1-CG 4.33Å; L65-F79 HydrophobicContact CB-CD1 4.29Å; L65-F79 HydrophobicContact CB-CE1 4.11Å; L65-F79 HydrophobicContact CD1-CD1 4.29Å; L65-F79 HydrophobicContact CD1-CE1 3.99Å; L65-F79 HydrophobicContact CD1-CE2 4.37Å; L65-F79 HydrophobicContact CD1-CZ 4.04Å
66K92.6Very high92.9Very high77 Ų7751.4 Ų51.434%0.33525%0.248SC..EExtended strand (participates in β ladder)trans-78.9-43176.4-67.3-174.3175-177.30111.2E28 V30 K64 I78E28-K66 IonicContact OE2-NZ 3.79Å; E28-K66 PolarHBondContact OE2-NZ 2.9Å; V30-K66 HydrophobicContact CG1-CD 4.11Å; K64-K66 PolarHBondContact O-N 3.33Å; K66-I78 WeakPolarHBondContact CA-O 3.43Å; K66-I78 HydrophobicContact CB-CG2 4.42Å; K66-I78 WeakPolarHBondContact CB-O 3.44Å; K66-I78 PolarHBondContact N-O 2.91Å
67E92.1Very high93.3Very high53 Ų5344.8 Ų44.825%0.24822%0.22CC..EExtended strand (participates in β ladder)trans-154.9157.5-174.9-172.6177-177.200112R3 Y4 L65 I69 I78R3-E67 IonicContact CZ-OE1 2.62Å; R3-E67 IonicContact CZ-OE2 2.7Å; R3-E67 IonicContact NH2-OE1 3.96Å; R3-E67 PolarHBondContact NH2-OE1 2.82Å; R3-E67 IonicContact NH2-OE2 3.78Å; R3-E67 PolarHBondContact NH2-OE2 3.12Å; Y4-E67 WeakPolarHBondContact CE2-OE2 3.48Å; Y4-E67 PolarHBondContact OH-OE2 3.03Å; L65-E67 WeakPolarHBondContact CD1-O 3.28Å; E67-I69 HydrophobicContact CG-CD1 4.41Å; E67-I69 HydrophobicContact CG-CG1 3.84Å; E67-I78 HydrophobicContact CB-CB 3.99Å; E67-I78 HydrophobicContact CB-CG1 3.93Å; E67-I78 PolarHBondContact N-O 2.84Å; E67-I78 PolarHBondContact O-N 2.9Å
68V93.4Very high93.7Very high20 Ų2044.5 Ų44.512%0.12122%0.218CC..EExtended strand (participates in β ladder)trans-121.6130.6167.5-175.60000107.8W42 M46 V51 L65 L75 F77W42-V68 HydrophobicContact CH2-CB 4.18Å; W42-V68 HydrophobicContact CH2-CG1 4.14Å; W42-V68 WeakPolarHBondContact CH2-O 3.17Å; W42-V68 HydrophobicContact CZ3-CG1 4.21Å; M46-V68 HydrophobicContact CE-CB 4.09Å; M46-V68 HydrophobicContact CE-CG1 3.73Å; M46-V68 HydrophobicContact CE-CG2 4.4Å; V51-V68 HydrophobicContact CG1-CG2 4.49Å; V51-V68 HydrophobicContact CG2-CG2 4.4Å; L65-V68 HydrophobicContact CD1-CG2 4.33Å; L65-V68 HydrophobicContact CD2-CG2 3.83Å; L65-V68 HydrophobicContact CG-CG2 4.32Å; V68-L75 HydrophobicContact CG1-CD1 3.47Å; V68-L75 VanDerWaalsContact CG1-CD1 3.47Å; V68-F77 HydrophobicContact CB-CD1 4.39Å; V68-F77 HydrophobicContact CG1-CD1 3.89Å; V68-F77 HydrophobicContact CG1-CE1 3.82Å; V68-F77 HydrophobicContact CG2-CD1 3.98Å; V68-F77 HydrophobicContact CG2-CE1 4.24Å
69I93.9Very high93.9Very high24 Ų2439.4 Ų39.412%0.12319%0.19CC..EExtended strand (participates in β ladder)trans-126.4130.1-178.8-52177.9000109M1 Y4 E67 Y76 I78M1-I69 HydrophobicContact SD-CD1 4.38Å; Y4-I69 HydrophobicContact CD2-CD1 4.13Å; Y4-I69 HydrophobicContact CE2-CD1 3.97Å; E67-I69 HydrophobicContact CG-CD1 4.41Å; E67-I69 HydrophobicContact CG-CG1 3.84Å; I69-Y76 PolarHBondContact N-O 2.75Å; I69-Y76 PolarHBondContact O-N 2.85Å; I69-I78 HydrophobicContact CD1-CD1 4.05Å; I69-I78 HydrophobicContact CD1-CG1 3.96Å; I69-I78 HydrophobicContact CG1-CG1 4.32Å
70R93.7Very high93.9Very high87 Ų8738.9 Ų38.933%0.32819%0.188SC..EExtended strand (participates in β ladder)trans-111.2126168.8-165.7-168.790.988.70.1109F39 Y40 W42 D73 H74F39-R70 PolarHBondContact O-NH1 3.35Å; Y40-R70 PolarHBondContact O-NH1 3.07Å; Y40-R70 VanDerWaalsContact O-NH1 3.17Å; W42-R70 HydrophobicContact CE3-CB 3.85Å; W42-R70 HydrophobicContact CZ3-CB 3.94Å; R70-D73 IonicContact CZ-OD1 3.56Å; R70-D73 IonicContact NH1-OD1 2.73Å; R70-D73 PolarHBondContact NH1-OD1 2.91Å; R70-D73 IonicContact NH2-OD1 3.55Å; R70-H74 WeakPolarHBondContact CA-O 3.48Å
71E93.6Very high93.9Very high56 Ų5639.5 Ų39.526%0.26218%0.184SC..EExtended strand (participates in β ladder)trans-153.1126.4-175.3179.6173.4-116.500110M1 D73 H74 Y76M1-E71 WeakPolarHBondContact CA-OE2 3.36Å; M1-E71 WeakPolarHBondContact CB-OE2 3.3Å; M1-E71 WeakPolarHBondContact CG-OE2 3.19Å; M1-E71 PolarHBondContact N-OE1 3.42Å; M1-E71 PolarHBondContact N-OE2 3.26Å; E71-D73 VanDerWaalsContact C-N 3.26Å; E71-D73 PolarHBondContact O-N 3Å; E71-H74 PolarHBondContact N-O 2.92Å; E71-H74 WeakPolarHBondContact O-CB 3.25Å; E71-H74 PolarHBondContact O-N 3.44Å; E71-Y76 HydrophobicContact CB-CE2 4.26Å
72N92.4Very high93.9Very high139 Ų13940.2 Ų40.274%0.74319%0.187SC*.THydrogen-bonded Turntrans48.648.4-177.7-57.2-20.6000112.3H74N72-H74 PolarHBondContact O-N 2.92Å; N72-H74 PolarHBondContact O-ND1 3.3Å
73D92.4Very high93.7Very high44 Ų4445.4 Ų45.424%0.23521%0.21CC..THydrogen-bonded Turntrans56.16.5-172.3-52.1-38.4000117K38 F39 Y40 R70 E71K38-D73 CarbonylContact C-O 3.57Å; K38-D73 VanDerWaalsContact CA-O 3.22Å; K38-D73 WeakPolarHBondContact CA-O 3.42Å; K38-D73 HydrophobicContact CB-CB 4.19Å; K38-D73 HydrophobicContact CD-CB 4.05Å; K38-D73 HydrophobicContact CG-CB 4.2Å; F39-D73 PolarHBondContact N-O 3.16Å; Y40-D73 HydrophobicContact CD1-CB 4.06Å; Y40-D73 VanDerWaalsContact CD1-CG 3.5Å; Y40-D73 HydrophobicContact CE1-CB 4.07Å; Y40-D73 WeakPolarHBondContact CE1-OD2 3.48Å; R70-D73 IonicContact CZ-OD1 3.56Å; R70-D73 IonicContact NH1-OD1 2.73Å; R70-D73 PolarHBondContact NH1-OD1 2.91Å; R70-D73 IonicContact NH2-OD1 3.55Å; E71-D73 VanDerWaalsContact C-N 3.26Å; E71-D73 PolarHBondContact O-N 3Å
74H92.3Very high93.6Very high52 Ų5247 Ų4724%0.24122%0.217CC..EExtended strand (participates in β ladder)trans-92.1139.2172.6-62.287.2000110.4K34 R70 E71 N72 Y76K34-H74 WeakPolarHBondContact CE-CD2 3.19Å; K34-H74 PolarHBondContact NZ-CD2 3.38Å; R70-H74 WeakPolarHBondContact CA-O 3.48Å; E71-H74 PolarHBondContact N-O 2.92Å; E71-H74 WeakPolarHBondContact O-CB 3.25Å; E71-H74 PolarHBondContact O-N 3.44Å; N72-H74 PolarHBondContact O-N 2.92Å; N72-H74 PolarHBondContact O-ND1 3.3Å; H74-Y76 HydrophobicContact CB-CD2 4.45Å; H74-Y76 HydrophobicContact CB-CE2 3.59Å
75L93.3Very high93.7Very high0 Ų042.8 Ų42.80%020%0.2CC..EExtended strand (participates in β ladder)trans-102.9131.6175.1-176.460.1000110M35 F39 C45 L48 V68 F77M35-L75 HydrophobicContact CB-CB 4.22Å; M35-L75 HydrophobicContact CG-CB 4.08Å; M35-L75 HydrophobicContact CG-CD2 4.32Å; M35-L75 HydrophobicContact CG-CG 4.23Å; M35-L75 PolarHBondContact N-O 2.93Å; F39-L75 HydrophobicContact CD1-CD2 4.41Å; F39-L75 HydrophobicContact CD2-CB 3.49Å; F39-L75 VanDerWaalsContact CD2-CB 3.49Å; F39-L75 HydrophobicContact CD2-CD2 3.81Å; F39-L75 HydrophobicContact CD2-CG 4.32Å; F39-L75 HydrophobicContact CE1-CD2 4.44Å; F39-L75 HydrophobicContact CE2-CB 3.97Å; F39-L75 HydrophobicContact CE2-CD2 3.82Å; F39-L75 HydrophobicContact CG-CB 4.21Å; F39-L75 HydrophobicContact CG-CD2 4.12Å; F39-L75 HydrophobicContact CZ-CD2 4.15Å; C45-L75 HydrophobicContact CB-CD1 3.88Å; C45-L75 HydrophobicContact CB-CD2 4.02Å; L48-L75 HydrophobicContact CD1-CD2 3.48Å; L48-L75 VanDerWaalsContact CD1-CD2 3.48Å; V68-L75 HydrophobicContact CG1-CD1 3.47Å; V68-L75 VanDerWaalsContact CG1-CD1 3.47Å; L75-F77 HydrophobicContact CD1-CE1 4.25Å; L75-F77 HydrophobicContact CD2-CE1 3.84Å; L75-F77 HydrophobicContact CD2-CZ 3.69Å; L75-F77 HydrophobicContact CG-CE1 3.96Å; L75-F77 HydrophobicContact CG-CZ 4.15Å
76Y93.8Very high93.8Very high28 Ų2841.4 Ų41.411%0.1119%0.192CC..EExtended strand (participates in β ladder)trans-122.8132.1177.9-54.3-100000109.3M1 I32 K33 K34 I69 E71 H74M1-Y76 HydrophobicContact CG-CD1 4.36Å; M1-Y76 HydrophobicContact CG-CD2 4.39Å; M1-Y76 HydrophobicContact CG-CE1 4.21Å; M1-Y76 HydrophobicContact CG-CE2 4.26Å; M1-Y76 HydrophobicContact CG-CG 4.46Å; M1-Y76 HydrophobicContact SD-CD1 4Å; M1-Y76 HydrophobicContact SD-CE1 4.37Å; M1-Y76 HydrophobicContact SD-CG 4.12Å; I32-Y76 HydrophobicContact CG2-CD1 4.15Å; K33-Y76 WeakPolarHBondContact O-CA 3.44Å; K34-Y76 HydrophobicContact CB-CD1 3.8Å; K34-Y76 HydrophobicContact CB-CE1 3.82Å; K34-Y76 HydrophobicContact CD-CD1 4.44Å; K34-Y76 HydrophobicContact CD-CE1 3.6Å; K34-Y76 HydrophobicContact CG-CD1 3.92Å; K34-Y76 HydrophobicContact CG-CE1 3.54Å; K34-Y76 PolarHBondContact NZ-OH 3.24Å; I69-Y76 PolarHBondContact N-O 2.75Å; I69-Y76 PolarHBondContact O-N 2.85Å; E71-Y76 HydrophobicContact CB-CE2 4.26Å; H74-Y76 HydrophobicContact CB-CD2 4.45Å; H74-Y76 HydrophobicContact CB-CE2 3.59Å
77F93.8Very high93.8Very high1 Ų138.6 Ų38.60%0.00418%0.18CC..EExtended strand (participates in β ladder)trans-105.4124.9168.6-58.6-45.6000109.4I32 K33 M35 L48 E50 V51 L65 V68 L75 F79I32-F77 WeakPolarHBondContact CA-O 3.13Å; K33-F77 HydrophobicContact CB-CB 4.31Å; K33-F77 HydrophobicContact CD-CD2 4.16Å; K33-F77 HydrophobicContact CG-CD2 4.36Å; K33-F77 PolarHBondContact N-O 3.21Å; K33-F77 PolarHBondContact O-N 3.24Å; M35-F77 HydrophobicContact CE-CE2 4.46Å; M35-F77 HydrophobicContact CG-CD2 4.44Å; M35-F77 HydrophobicContact CG-CE2 4.04Å; M35-F77 HydrophobicContact SD-CD2 4.03Å; M35-F77 HydrophobicContact SD-CE2 3.69Å; L48-F77 HydrophobicContact CD1-CZ 3.92Å; E50-F77 HydrophobicContact CG-CE2 4.47Å; V51-F77 HydrophobicContact CG2-CD1 4.43Å; V51-F77 HydrophobicContact CG2-CE1 3.44Å; V51-F77 VanDerWaalsContact CG2-CE1 3.44Å; V51-F77 HydrophobicContact CG2-CZ 3.76Å; L65-F77 HydrophobicContact CD1-CB 3.82Å; L65-F77 HydrophobicContact CD1-CD1 4.3Å; L65-F77 HydrophobicContact CD1-CG 4.33Å; V68-F77 HydrophobicContact CB-CD1 4.39Å; V68-F77 HydrophobicContact CG1-CD1 3.89Å; V68-F77 HydrophobicContact CG1-CE1 3.82Å; V68-F77 HydrophobicContact CG2-CD1 3.98Å; V68-F77 HydrophobicContact CG2-CE1 4.24Å; L75-F77 HydrophobicContact CD1-CE1 4.25Å; L75-F77 HydrophobicContact CD2-CE1 3.84Å; L75-F77 HydrophobicContact CD2-CZ 3.69Å; L75-F77 HydrophobicContact CG-CE1 3.96Å; L75-F77 HydrophobicContact CG-CZ 4.15Å; F77-F79 HydrophobicContact CB-CD2 4.07Å; F77-F79 HydrophobicContact CB-CE2 3.44Å; F77-F79 VanDerWaalsContact CB-CE2 3.44Å; F77-F79 HydrophobicContact CB-CZ 4.07Å; F77-F79 HydrophobicContact CD2-CE2 4.47Å; F77-F79 HydrophobicContact CG-CE2 4.33Å
78I95.4Very high93.9Very high0 Ų040.1 Ų40.10%019%0.187CC..EExtended strand (participates in β ladder)trans-98.9112176.6-45.8-58.5000107.9Y4 V30 I32 K66 E67 I69Y4-I78 HydrophobicContact CD2-CD1 4.23Å; Y4-I78 HydrophobicContact CE1-CG2 4.01Å; Y4-I78 HydrophobicContact CE2-CD1 4.21Å; Y4-I78 HydrophobicContact CE2-CG1 4.03Å; Y4-I78 HydrophobicContact CE2-CG2 4.42Å; V30-I78 HydrophobicContact CB-CG2 3.84Å; V30-I78 HydrophobicContact CG1-CG2 3.88Å; V30-I78 HydrophobicContact CG2-CG2 4.17Å; I32-I78 HydrophobicContact CB-CD1 4.3Å; I32-I78 HydrophobicContact CD1-CD1 4.11Å; I32-I78 HydrophobicContact CG1-CD1 3.88Å; I32-I78 HydrophobicContact CG2-CD1 3.87Å; K66-I78 WeakPolarHBondContact CA-O 3.43Å; K66-I78 HydrophobicContact CB-CG2 4.42Å; K66-I78 WeakPolarHBondContact CB-O 3.44Å; K66-I78 PolarHBondContact N-O 2.91Å; E67-I78 HydrophobicContact CB-CB 3.99Å; E67-I78 HydrophobicContact CB-CG1 3.93Å; E67-I78 PolarHBondContact N-O 2.84Å; E67-I78 PolarHBondContact O-N 2.9Å; I69-I78 HydrophobicContact CD1-CD1 4.05Å; I69-I78 HydrophobicContact CD1-CG1 3.96Å; I69-I78 HydrophobicContact CG1-CG1 4.32Å
79F95.4Very high93.9Very high18 Ų1840.2 Ų40.28%0.07919%0.187CC..EExtended strand (participates in β ladder)trans-104.8161.4175.4-66-86.9000111.2V30 A31 K33 L54 I63 K64 L65 F77V30-F79 WeakPolarHBondContact CA-O 3.34Å; V30-F79 WeakPolarHBondContact CB-O 3.2Å; A31-F79 HydrophobicContact CB-CB 4.29Å; A31-F79 PolarHBondContact N-O 3.38Å; A31-F79 PolarHBondContact O-N 2.97Å; K33-F79 HydrophobicContact CB-CD2 4.47Å; K33-F79 HydrophobicContact CB-CE2 4.17Å; K33-F79 HydrophobicContact CD-CE2 4.19Å; L54-F79 HydrophobicContact CD1-CE1 3.7Å; L54-F79 HydrophobicContact CD1-CZ 3.93Å; I63-F79 HydrophobicContact CG1-CB 4.34Å; I63-F79 HydrophobicContact CG1-CD1 3.82Å; I63-F79 HydrophobicContact CG1-CG 4.39Å; I63-F79 HydrophobicContact CG2-CD1 4.05Å; I63-F79 HydrophobicContact CG2-CE1 3.96Å; K64-F79 WeakPolarHBondContact O-CA 3.37Å; L65-F79 HydrophobicContact CB-CD1 4.29Å; L65-F79 HydrophobicContact CB-CE1 4.11Å; L65-F79 HydrophobicContact CD1-CD1 4.29Å; L65-F79 HydrophobicContact CD1-CE1 3.99Å; L65-F79 HydrophobicContact CD1-CE2 4.37Å; L65-F79 HydrophobicContact CD1-CZ 4.04Å; F77-F79 HydrophobicContact CB-CD2 4.07Å; F77-F79 HydrophobicContact CB-CE2 3.44Å; F77-F79 VanDerWaalsContact CB-CE2 3.44Å; F77-F79 HydrophobicContact CB-CZ 4.07Å; F77-F79 HydrophobicContact CD2-CE2 4.47Å; F77-F79 HydrophobicContact CG-CE2 4.33Å
80E94.6Very high93.9Very high35 Ų3539.4 Ų39.416%0.16418%0.183CC..EExtended strand (participates in β ladder)trans-56.4144.2158.568-169.6142.400111I63 K64 K140I63-E80 HydrophobicContact CD1-CG 3.55Å; I63-E80 HydrophobicContact CG1-CG 4.38Å; K64-E80 HydrophobicContact CB-CG 4.25Å; K64-E80 WeakPolarHBondContact CB-OE1 3.31Å; K64-E80 PolarHBondContact N-OE1 3.46Å; K64-E80 PolarHBondContact O-N 2.93Å; K64-E80 VanDerWaalsContact O-N 3.12Å; E80-K140 VanDerWaalsContact OE1-CD 3.25Å; E80-K140 WeakPolarHBondContact OE1-CD 3.47Å; E80-K140 WeakPolarHBondContact OE1-CE 3.5Å; E80-K140 IonicContact OE1-NZ 2.81Å; E80-K140 PolarHBondContact OE1-NZ 3.35Å; E80-K140 WeakPolarHBondContact OE2-CE 3.09Å; E80-K140 IonicContact OE2-NZ 2.71Å; E80-K140 PolarHBondContact OE2-NZ 2.92Å
81Y95.3Very high93.7Very high45 Ų4540 Ų4018%0.17619%0.187CC..  trans-78.4137.5178174.3-118000111.5L10 L20 L29L10-Y81 HydrophobicContact CD1-CD2 4.1Å; L10-Y81 HydrophobicContact CD1-CE2 3.86Å; L10-Y81 HydrophobicContact CD2-CE2 4.13Å; L20-Y81 HydrophobicContact CD1-CD1 4.25Å; L20-Y81 HydrophobicContact CD1-CD2 3.49Å; L20-Y81 VanDerWaalsContact CD1-CD2 3.49Å; L20-Y81 HydrophobicContact CD1-CE1 4.41Å; L20-Y81 HydrophobicContact CD1-CE2 3.68Å; L20-Y81 HydrophobicContact CD1-CG 3.79Å; L20-Y81 HydrophobicContact CD2-CE2 4.47Å; L29-Y81 HydrophobicContact CB-CD1 3.91Å; L29-Y81 HydrophobicContact CB-CG 4.07Å; L29-Y81 HydrophobicContact CD1-CD1 3.87Å; L29-Y81 HydrophobicContact CD1-CE1 4.08Å
82M95.5Very high93.1Very high16 Ų1642.5 Ų42.58%0.07920%0.203CC..  trans-128138.3172.2-63.6-63.3-73.400108.5I63 E84 L132 C133 M134 L138 K140I63-M82 HydrophobicContact CD1-CG 3.66Å; M82-E84 PolarHBondContact O-N 3.2Å; M82-L132 HydrophobicContact CB-CB 3.75Å; M82-L132 HydrophobicContact CB-CD1 4.3Å; M82-L132 HydrophobicContact CE-CB 4.37Å; M82-L132 HydrophobicContact CG-CB 3.83Å; M82-L132 HydrophobicContact CG-CD1 4.29Å; M82-C133 VanDerWaalsContact CE-CA 3.49Å; M82-M134 HydrophobicContact CE-CG 3.88Å; M82-M134 HydrophobicContact SD-CG 3.92Å; M82-L138 HydrophobicContact CE-CD2 4.18Å; M82-L138 HydrophobicContact CE-CG 4.04Å; M82-L138 HydrophobicContact SD-CD2 4.36Å; M82-K140 HydrophobicContact CE-CB 4.29Å; M82-K140 HydrophobicContact CE-CD 3.91Å; M82-K140 HydrophobicContact CE-CG 4.09Å; M82-K140 HydrophobicContact CG-CD 4.42Å; M82-K140 HydrophobicContact SD-CD 3.73Å
83K93.3Very high93Very high112 Ų11239.3 Ų39.349%0.48718%0.18SC..SBendtrans-62.9-46.4-169.2174.9174.8174.8-75.50113.1C133 M134K83-C133 PolarHBondContact N-O 3.13Å; K83-M134 HydrophobicContact CB-SD 3.58Å; K83-M134 VanDerWaalsContact CB-SD 3.58Å; K83-M134 PolarHBondContact N-SD 3.35Å
84E93.1Very high92.8Very high37 Ų3743.7 Ų43.717%0.17321%0.209CC..EExtended strand (participates in β ladder)trans-158.8174.2-17368.2-144.8129.300110.2M82 Q88 L89 C133M82-E84 PolarHBondContact O-N 3.2Å; E84-Q88 VanDerWaalsContact CA-OE1 3.31Å; E84-Q88 HydrophobicContact CB-CB 4.02Å; E84-L89 HydrophobicContact CG-CB 4.41Å; E84-L89 HydrophobicContact CG-CD1 4.38Å; E84-C133 VanDerWaalsContact CG-SG 3.54Å; E84-C133 PolarHBondContact N-O 2.78Å; E84-C133 PolarHBondContact O-N 3.28Å; E84-C133 PolarHBondContact O-SG 3.24Å; E84-C133 VanDerWaalsContact O-SG 3.35Å
85N94.4Very high92.9Very high24 Ų2451 Ų5113%0.12823%0.234CC..EExtended strand (participates in β ladder)trans-104.2164.9169.861.232000112.1Y87 Q88 L89 E129 L131 L132N85-Y87 PolarHBondContact O-N 3.2Å; N85-Y87 WeakPolarHBondContact OD1-CB 3.42Å; N85-Y87 PolarHBondContact OD1-N 3.3Å; N85-Q88 WeakPolarHBondContact O-CB 3.24Å; N85-Q88 PolarHBondContact O-N 3.46Å; N85-Q88 VanDerWaalsContact OD1-CG 3.28Å; N85-Q88 WeakPolarHBondContact OD1-CG 3.33Å; N85-Q88 PolarHBondContact OD1-N 3.22Å; N85-Q88 PolarHBondContact OD1-OE1 3.49Å; N85-L89 PolarHBondContact O-N 2.88Å; N85-E129 WeakPolarHBondContact CB-O 3.35Å; N85-E129 PolarHBondContact ND2-O 3.08Å; N85-L131 CarbonylContact C-O 3.55Å; N85-L131 VanDerWaalsContact CA-O 3.26Å; N85-L131 WeakPolarHBondContact CA-O 3.06Å; N85-L131 WeakPolarHBondContact CB-O 3.25Å; N85-L132 HydrophobicContact CB-CD2 3.9Å
86L95.5Very high92.9Very high1 Ų154.9 Ų54.91%0.00526%0.255CS..Hα-helixtrans-59.3-31.5-178.6-69.6-174.7000112.4L89 M90 I105 I109 P128 L131 C133 V139L86-L89 HydrophobicContact CD2-CD2 3.82Å; L86-L89 PolarHBondContact O-N 3.23Å; L86-M90 WeakPolarHBondContact O-CB 3.3Å; L86-M90 VanDerWaalsContact O-CG 3.25Å; L86-M90 WeakPolarHBondContact O-CG 3.22Å; L86-M90 PolarHBondContact O-N 3.26Å; L86-I105 HydrophobicContact CD1-CG2 3.75Å; L86-I105 HydrophobicContact CD2-CD1 4.33Å; L86-I105 HydrophobicContact CD2-CG2 4.36Å; L86-I109 HydrophobicContact CD1-CD1 4.18Å; L86-P128 HydrophobicContact CB-CB 4.11Å; L86-P128 PolarHBondContact N-O 3.38Å; L86-P128 VanDerWaalsContact N-O 3.11Å; L86-L131 HydrophobicContact CB-CB 4.28Å; L86-L131 HydrophobicContact CD1-CB 3.65Å; L86-L131 HydrophobicContact CD1-CD1 3.72Å; L86-L131 HydrophobicContact CD1-CG 4.31Å; L86-L131 HydrophobicContact CG-CB 3.81Å; L86-L131 PolarHBondContact N-O 3.19Å; L86-C133 HydrophobicContact CD2-CB 4.07Å; L86-V139 HydrophobicContact CD1-CG1 4.3Å; L86-V139 HydrophobicContact CD2-CG2 4.32Å
87Y93.3Very high93Very high18 Ų1854 Ų547%0.07125%0.251CS..Hα-helixtrans-58.3-49.6171.4172.4-98.5000112N85 M90 K91 P128 E129 K634 Y635N85-Y87 PolarHBondContact O-N 3.2Å; N85-Y87 WeakPolarHBondContact OD1-CB 3.42Å; N85-Y87 PolarHBondContact OD1-N 3.3Å; Y87-M90 PolarHBondContact O-N 2.92Å; Y87-K91 HydrophobicContact CE1-CB 4.17Å; Y87-K91 HydrophobicContact CE1-CD 3.74Å; Y87-K91 HydrophobicContact CE1-CG 4.39Å; Y87-K91 HydrophobicContact CE2-CB 4.37Å; Y87-K91 VanDerWaalsContact O-CB 3.31Å; Y87-K91 WeakPolarHBondContact O-CB 3.35Å; Y87-K91 PolarHBondContact O-N 3Å; Y87-K91 WeakPolarHBondContact OH-CD 3.36Å; Y87-P128 PolarHBondContact N-O 2.83Å; Y87-P128 VanDerWaalsContact N-O 3.1Å; Y87-E129 HydrophobicContact CG-CG 4.38Å; Y87-K634 HydrophobicContact CE1-CD 4.17Å; Y87-K634 HydrophobicContact CE2-CD 3.88Å; Y87-K634 WeakPolarHBondContact OH-CG 3.45Å; Y87-K634 PolarHBondContact OH-O 3.15Å; Y87-K634 VanDerWaalsContact OH-O 3.1Å; Y87-Y635 HydrophobicContact CD2-CE1 4.2Å; Y87-Y635 HydrophobicContact CD2-CE2 4.41Å; Y87-Y635 AromaticContact CD2-CZ 3.73Å; Y87-Y635 VanDerWaalsContact CD2-OH 3.26Å; Y87-Y635 WeakPolarHBondContact CD2-OH 3.28Å; Y87-Y635 HydrophobicContact CE2-CD1 4.41Å; Y87-Y635 AromaticContact CE2-CE1 3.72Å; Y87-Y635 HydrophobicContact CE2-CE1 3.72Å; Y87-Y635 AromaticContact CE2-CE2 3.81Å; Y87-Y635 HydrophobicContact CE2-CE2 3.81Å; Y87-Y635 AromaticContact CE2-CZ 3.39Å; Y87-Y635 WeakPolarHBondContact CE2-OH 3.44Å
88Q92.9Very high93.1Very high85 Ų8557.5 Ų57.540%0.39727%0.274SS..Hα-helixtrans-62.3-44.2176.6-72.8162.9-32.900110.9E84 N85 M90 K91E84-Q88 VanDerWaalsContact CA-OE1 3.31Å; E84-Q88 HydrophobicContact CB-CB 4.02Å; N85-Q88 WeakPolarHBondContact O-CB 3.24Å; N85-Q88 PolarHBondContact O-N 3.46Å; N85-Q88 VanDerWaalsContact OD1-CG 3.28Å; N85-Q88 WeakPolarHBondContact OD1-CG 3.33Å; N85-Q88 PolarHBondContact OD1-N 3.22Å; N85-Q88 PolarHBondContact OD1-OE1 3.49Å; Q88-M90 PolarHBondContact O-N 3.35Å; Q88-K91 PolarHBondContact O-N 2.95Å
89L93.4Very high93.2Very high23 Ų2359.3 Ų59.312%0.1228%0.283CS..Hα-helixtrans-61-27177.2-16573.2000112.9E84 N85 L86 R93 F97E84-L89 HydrophobicContact CG-CB 4.41Å; E84-L89 HydrophobicContact CG-CD1 4.38Å; N85-L89 PolarHBondContact O-N 2.88Å; L86-L89 HydrophobicContact CD2-CD2 3.82Å; L86-L89 PolarHBondContact O-N 3.23Å; L89-R93 WeakPolarHBondContact O-CD 3.44Å; L89-R93 WeakPolarHBondContact O-CG 3.26Å; L89-F97 HydrophobicContact CD2-CE1 4.13Å; L89-F97 HydrophobicContact CD2-CZ 4.04Å; L89-F97 HydrophobicContact CG-CE1 4.44Å; L89-F97 HydrophobicContact CG-CZ 4.05Å
90M95Very high93.2Very high7 Ų760.8 Ų60.83%0.03430%0.296CS..Hα-helixtrans-88-50.2176-71.7-173.6-5600113.2L86 Y87 Q88 D92 R93 F97 P128 E192 L193 L196L86-M90 WeakPolarHBondContact O-CB 3.3Å; L86-M90 VanDerWaalsContact O-CG 3.25Å; L86-M90 WeakPolarHBondContact O-CG 3.22Å; L86-M90 PolarHBondContact O-N 3.26Å; Y87-M90 PolarHBondContact O-N 2.92Å; Q88-M90 PolarHBondContact O-N 3.35Å; M90-D92 VanDerWaalsContact C-N 3.34Å; M90-D92 PolarHBondContact O-N 2.91Å; M90-R93 WeakPolarHBondContact O-CB 3.45Å; M90-R93 PolarHBondContact O-N 3.31Å; M90-R93 VanDerWaalsContact O-N 3.15Å; M90-F97 HydrophobicContact CG-CE2 3.95Å; M90-F97 HydrophobicContact CG-CZ 4.49Å; M90-P128 HydrophobicContact CE-CB 3.62Å; M90-P128 HydrophobicContact CE-CG 3.77Å; M90-E192 HydrophobicContact CE-CG 3.78Å; M90-E192 WeakPolarHBondContact CE-OE1 3.4Å; M90-E192 HydrophobicContact SD-CG 3.89Å; M90-L193 HydrophobicContact CG-CD2 4.33Å; M90-L193 HydrophobicContact SD-CD2 3.83Å; M90-L193 HydrophobicContact SD-CG 4.22Å; M90-L196 HydrophobicContact CB-CD2 3.96Å; M90-L196 HydrophobicContact CG-CD2 3.92Å
91K88.7Confident93.3Very high98 Ų9859.6 Ų59.643%0.42629%0.292SS..Hα-helixtrans-49-49.6-169.4173.1-168.1165.9-82.10113.4Y87 Q88 R93 R638Y87-K91 HydrophobicContact CE1-CB 4.17Å; Y87-K91 HydrophobicContact CE1-CD 3.74Å; Y87-K91 HydrophobicContact CE1-CG 4.39Å; Y87-K91 HydrophobicContact CE2-CB 4.37Å; Y87-K91 VanDerWaalsContact O-CB 3.31Å; Y87-K91 WeakPolarHBondContact O-CB 3.35Å; Y87-K91 PolarHBondContact O-N 3Å; Y87-K91 WeakPolarHBondContact OH-CD 3.36Å; Q88-K91 PolarHBondContact O-N 2.95Å; K91-R93 VanDerWaalsContact C-N 3.31Å; K91-R93 PolarHBondContact O-N 3.16Å; K91-R638 PolarHBondContact O-NH1 3.43Å
92D82.2Confident93.4Very high110 Ų11057.5 Ų57.559%0.58828%0.283SS*.THydrogen-bonded Turntrans-91.88.7-169.3-67.6-44.6000113.3M90M90-D92 VanDerWaalsContact C-N 3.34Å; M90-D92 PolarHBondContact O-N 2.91Å
93R90.6Very high93.5Very high72 Ų7258.2 Ų58.227%0.27229%0.285SS..  trans-78.8149.8174-64.6179.770.199-4.9112.6L89 M90 K91 R95 L96 F97 L196 R638L89-R93 WeakPolarHBondContact O-CD 3.44Å; L89-R93 WeakPolarHBondContact O-CG 3.26Å; M90-R93 WeakPolarHBondContact O-CB 3.45Å; M90-R93 PolarHBondContact O-N 3.31Å; M90-R93 VanDerWaalsContact O-N 3.15Å; K91-R93 VanDerWaalsContact C-N 3.31Å; K91-R93 PolarHBondContact O-N 3.16Å; R93-R95 PolarHBondContact NE-O 2.98Å; R93-R95 PolarHBondContact NH2-O 2.83Å; R93-L96 PolarHBondContact NH2-O 3.26Å; R93-F97 VanDerWaalsContact CD-CZ 3.44Å; R93-L196 HydrophobicContact CB-CD1 3.88Å; R93-R638 PolarHBondContact O-NH1 3.21Å; R93-R638 VanDerWaalsContact O-NH1 3.08Å
94T88Confident93.7Very high136 Ų13653.4 Ų53.483%0.83427%0.265SS*.SBendtrans-107.8-16167.954.40000112.9
95R92.7Very high94Very high204 Ų20451.6 Ų51.677%0.7726%0.256SS*.SBendtrans-120.8140.1178.1-64.4-176.7179.5-179.1-0.1110.2R93R93-R95 PolarHBondContact NE-O 2.98Å; R93-R95 PolarHBondContact NH2-O 2.83Å
96L94.9Very high94.2Very high82 Ų8250.5 Ų50.543%0.42925%0.25SS..PPolyproline II helixtrans-57.6167.8172.1-53.1-179.6000111R93 L196R93-L96 PolarHBondContact NH2-O 3.26Å; L96-L196 HydrophobicContact CD2-CB 4.45Å; L96-L196 HydrophobicContact CD2-CD1 3.93Å; L96-L196 HydrophobicContact CD2-CG 3.82Å
97F95.6Very high94.3Very high9 Ų952.1 Ų52.14%0.03926%0.257CS..PPolyproline II helixtrans-79.3144.2170.6-71.5-94.7000110.4L89 M90 R93 A101 V102 I105 L193 L196L89-F97 HydrophobicContact CD2-CE1 4.13Å; L89-F97 HydrophobicContact CD2-CZ 4.04Å; L89-F97 HydrophobicContact CG-CE1 4.44Å; L89-F97 HydrophobicContact CG-CZ 4.05Å; M90-F97 HydrophobicContact CG-CE2 3.95Å; M90-F97 HydrophobicContact CG-CZ 4.49Å; R93-F97 VanDerWaalsContact CD-CZ 3.44Å; F97-A101 HydrophobicContact CB-CB 4.49Å; F97-A101 HydrophobicContact CD1-CB 4.09Å; F97-V102 HydrophobicContact CB-CG2 3.54Å; F97-V102 HydrophobicContact CG-CG2 4.45Å; F97-I105 HydrophobicContact CE1-CD1 4.34Å; F97-L193 WeakPolarHBondContact CD2-O 3.28Å; F97-L193 HydrophobicContact CE2-CD2 4.48Å; F97-L196 HydrophobicContact CD2-CD2 3.95Å; F97-L196 HydrophobicContact CE2-CD2 3.75Å
98P96Very high94.5Very high75 Ų7551.2 Ų51.249%0.48725%0.254SS..PPolyproline II helixtrans-65.7148.1162.931-33.9000109.1S100 A101 V102P98-S100 PolarHBondContact O-N 2.87Å; P98-S100 VanDerWaalsContact O-N 3.14Å; P98-A101 HydrophobicContact CG-CB 3.9Å; P98-A101 PolarHBondContact O-N 2.96Å; P98-V102 PolarHBondContact O-N 2.97Å
99E96Very high94.8Very high38 Ų3847.3 Ų47.318%0.17824%0.236CC..Hα-helixtrans-57.7-32.7-176.6179.2166.8139.200112.7A101 V102 R103 Y194 S254 Y283E99-A101 VanDerWaalsContact C-N 3.32Å; E99-A101 PolarHBondContact O-N 2.84Å; E99-V102 PolarHBondContact O-N 3.2Å; E99-R103 WeakPolarHBondContact O-CB 3.41Å; E99-R103 PolarHBondContact O-N 3.1Å; E99-R103 IonicContact OE1-CZ 3.01Å; E99-R103 IonicContact OE1-NH2 2.71Å; E99-R103 PolarHBondContact OE1-NH2 3.32Å; E99-Y194 HydrophobicContact CB-CE1 4.31Å; E99-Y194 HydrophobicContact CG-CE1 4.19Å; E99-Y194 WeakPolarHBondContact CG-OH 3.23Å; E99-S254 VanDerWaalsContact CD-OG 3.3Å; E99-S254 VanDerWaalsContact OE1-CB 3.24Å; E99-S254 WeakPolarHBondContact OE1-CB 3.37Å; E99-S254 PolarHBondContact OE1-OG 2.73Å; E99-S254 VanDerWaalsContact OE2-CB 3.24Å; E99-S254 WeakPolarHBondContact OE2-CB 3.4Å; E99-S254 PolarHBondContact OE2-N 3.47Å; E99-S254 PolarHBondContact OE2-OG 3.11Å; E99-Y283 HydrophobicContact CG-CE2 4Å; E99-Y283 WeakPolarHBondContact OE1-CE2 3.36Å
100S96.2Very high95Very high50 Ų5046.2 Ų46.235%0.3523%0.23SC..Hα-helixtrans-57.5-40.317449.40000113.4P98 N104P98-S100 PolarHBondContact O-N 2.87Å; P98-S100 VanDerWaalsContact O-N 3.14Å; S100-N104 PolarHBondContact O-N 3.23Å
101A96.6Very high95.2Very high10 Ų1048.7 Ų48.78%0.08324%0.242CC..Hα-helixtrans-72.6-41.1177.100000111.7F97 P98 E99 R103 N104 I105 P136F97-A101 HydrophobicContact CB-CB 4.49Å; F97-A101 HydrophobicContact CD1-CB 4.09Å; P98-A101 HydrophobicContact CG-CB 3.9Å; P98-A101 PolarHBondContact O-N 2.96Å; E99-A101 VanDerWaalsContact C-N 3.32Å; E99-A101 PolarHBondContact O-N 2.84Å; A101-R103 VanDerWaalsContact C-N 3.31Å; A101-R103 PolarHBondContact O-N 2.95Å; A101-N104 PolarHBondContact O-N 2.64Å; A101-I105 WeakPolarHBondContact O-CB 3.24Å; A101-I105 VanDerWaalsContact O-CG1 3.27Å; A101-I105 WeakPolarHBondContact O-CG1 3.41Å; A101-I105 PolarHBondContact O-N 3.3Å; A101-P136 HydrophobicContact CB-CB 4.11Å
102V97.9Very high95.6Very high0 Ų044 Ų440%022%0.221CC..Hα-helixtrans-60.7-44173.6-174.70000110.1F97 P98 E99 I105 M106 L193 Y194F97-V102 HydrophobicContact CB-CG2 3.54Å; F97-V102 HydrophobicContact CG-CG2 4.45Å; P98-V102 PolarHBondContact O-N 2.97Å; E99-V102 PolarHBondContact O-N 3.2Å; V102-I105 PolarHBondContact O-N 2.95Å; V102-M106 HydrophobicContact CG1-CG 4.09Å; V102-M106 WeakPolarHBondContact O-CB 3.26Å; V102-M106 WeakPolarHBondContact O-CG 3.1Å; V102-M106 PolarHBondContact O-N 3.36Å; V102-L193 HydrophobicContact CG1-CB 3.88Å; V102-L193 HydrophobicContact CG1-CD1 4.38Å; V102-L193 HydrophobicContact CG2-CB 4.33Å; V102-Y194 HydrophobicContact CB-CE1 4.43Å; V102-Y194 HydrophobicContact CB-CE2 4.47Å; V102-Y194 HydrophobicContact CG1-CD2 4.02Å; V102-Y194 HydrophobicContact CG1-CE1 4.45Å; V102-Y194 HydrophobicContact CG1-CE2 3.67Å; V102-Y194 HydrophobicContact CG2-CD1 4.33Å; V102-Y194 HydrophobicContact CG2-CE1 4.31Å
103R97.8Very high96.4Very high32 Ų3238.8 Ų38.812%0.12119%0.193CC..Hα-helixtrans-60.1-46176.8-171.6-174.6-62.8131.7-0.7112.2E99 A101 M106 F107 Y283 F284 L290E99-R103 WeakPolarHBondContact O-CB 3.41Å; E99-R103 PolarHBondContact O-N 3.1Å; E99-R103 IonicContact OE1-CZ 3.01Å; E99-R103 IonicContact OE1-NH2 2.71Å; E99-R103 PolarHBondContact OE1-NH2 3.32Å; A101-R103 VanDerWaalsContact C-N 3.31Å; A101-R103 PolarHBondContact O-N 2.95Å; R103-M106 PolarHBondContact O-N 3.27Å; R103-F107 VanDerWaalsContact O-CB 3.24Å; R103-F107 WeakPolarHBondContact O-CB 3.35Å; R103-F107 PolarHBondContact O-N 2.88Å; R103-Y283 WeakPolarHBondContact CA-OH 3.3Å; R103-Y283 HydrophobicContact CB-CE1 4.21Å; R103-Y283 HydrophobicContact CB-CE2 4.29Å; R103-Y283 WeakPolarHBondContact CD-O 3.16Å; R103-Y283 HydrophobicContact CG-CD1 4.43Å; R103-Y283 HydrophobicContact CG-CE1 4.04Å; R103-Y283 HydrophobicContact CG-CE2 4.36Å; R103-Y283 PolarHBondContact N-OH 3.1Å; R103-Y283 PolarHBondContact NE-O 3.01Å; R103-F284 HydrophobicContact CG-CD1 3.84Å; R103-F284 HydrophobicContact CG-CE1 4.19Å; R103-L290 HydrophobicContact CG-CD1 3.98Å; R103-L290 HydrophobicContact CG-CD2 4.22Å
104N97.4Very high96.7Very high10 Ų1036.5 Ų36.55%0.05319%0.189CC..Hα-helixtrans-63.3-47.3177.1-163.97.3000111.7S100 A101 M106 F107 Q108 E137 G291S100-N104 PolarHBondContact O-N 3.23Å; A101-N104 PolarHBondContact O-N 2.64Å; N104-M106 PolarHBondContact O-N 3.47Å; N104-F107 PolarHBondContact O-N 2.88Å; N104-Q108 PolarHBondContact ND2-NE2 2.89Å; N104-Q108 WeakPolarHBondContact O-CG 3.34Å; N104-Q108 PolarHBondContact O-N 3.49Å; N104-Q108 PolarHBondContact OD1-NE2 2.94Å; N104-E137 PolarHBondContact ND2-OE2 2.7Å; N104-G291 PolarHBondContact ND2-O 2.86Å; N104-G291 VanDerWaalsContact ND2-O 3.16Å; N104-G291 WeakPolarHBondContact OD1-CA 3.44Å; N104-G291 PolarHBondContact OD1-N 3.38Å; N104-G291 PolarHBondContact OD1-O 2.81Å; N104-G291 VanDerWaalsContact OD1-O 3.09Å
105I98.3Very high97.1Very high0 Ų032 Ų320%016%0.158CC..Hα-helixtrans-56.1-50.5176.1-69.8166.8000110.9L86 F97 A101 V102 F107 Q108 I109 P136 V139 L193L86-I105 HydrophobicContact CD1-CG2 3.75Å; L86-I105 HydrophobicContact CD2-CD1 4.33Å; L86-I105 HydrophobicContact CD2-CG2 4.36Å; F97-I105 HydrophobicContact CE1-CD1 4.34Å; A101-I105 WeakPolarHBondContact O-CB 3.24Å; A101-I105 VanDerWaalsContact O-CG1 3.27Å; A101-I105 WeakPolarHBondContact O-CG1 3.41Å; A101-I105 PolarHBondContact O-N 3.3Å; V102-I105 PolarHBondContact O-N 2.95Å; I105-F107 PolarHBondContact O-N 3.03Å; I105-Q108 PolarHBondContact O-N 2.91Å; I105-I109 HydrophobicContact CG2-CD1 3.64Å; I105-I109 HydrophobicContact CG2-CG1 4.49Å; I105-I109 WeakPolarHBondContact O-CD1 3.42Å; I105-I109 VanDerWaalsContact O-CG1 3.26Å; I105-I109 WeakPolarHBondContact O-CG1 3.34Å; I105-I109 PolarHBondContact O-N 2.9Å; I105-P136 HydrophobicContact CD1-CB 3.98Å; I105-P136 HydrophobicContact CG1-CB 4.12Å; I105-V139 HydrophobicContact CB-CG2 4.4Å; I105-V139 HydrophobicContact CG1-CG2 4.02Å; I105-V139 HydrophobicContact CG2-CG2 4.25Å; I105-L193 HydrophobicContact CB-CD1 4.4Å; I105-L193 HydrophobicContact CD1-CD2 4.08Å; I105-L193 HydrophobicContact CG2-CD1 3.58Å; I105-L193 HydrophobicContact CG2-CD2 4.33Å
106M98.6Very high97.3Very high0 Ų022.2 Ų22.20%012%0.122CC..Hα-helixtrans-64.5-39.4-178.8-69.6-57.8-58.600112.9V102 R103 N104 I109 L110 V186 M190 L193 Y283 F284V102-M106 HydrophobicContact CG1-CG 4.09Å; V102-M106 WeakPolarHBondContact O-CB 3.26Å; V102-M106 WeakPolarHBondContact O-CG 3.1Å; V102-M106 PolarHBondContact O-N 3.36Å; R103-M106 PolarHBondContact O-N 3.27Å; N104-M106 PolarHBondContact O-N 3.47Å; M106-I109 PolarHBondContact O-N 2.98Å; M106-I109 HydrophobicContact SD-CD1 4.27Å; M106-L110 WeakPolarHBondContact O-CB 2.98Å; M106-L110 WeakPolarHBondContact O-CG 3.44Å; M106-L110 PolarHBondContact O-N 3.44Å; M106-V186 HydrophobicContact CE-CG1 3.31Å; M106-M190 HydrophobicContact CE-CB 3.58Å; M106-M190 HydrophobicContact CE-CG 3.82Å; M106-M190 HydrophobicContact CE-SD 3.88Å; M106-M190 HydrophobicContact CG-CG 4.03Å; M106-M190 HydrophobicContact CG-SD 4.49Å; M106-M190 HydrophobicContact SD-CB 3.75Å; M106-M190 HydrophobicContact SD-CG 3.93Å; M106-L193 HydrophobicContact CG-CD1 4.37Å; M106-L193 HydrophobicContact SD-CD1 3.82Å; M106-Y283 HydrophobicContact CB-CE1 4.47Å; M106-F284 HydrophobicContact CB-CE1 4.31Å; M106-F284 HydrophobicContact CB-CZ 4.35Å
107F98.3Very high97.3Very high35 Ų3519.6 Ų19.615%0.15411%0.107CC..Hα-helixtrans-61.6-45.5175.8-172.4-108.3000111.2R103 N104 I105 L110 Q111 L279 F284 L290R103-F107 VanDerWaalsContact O-CB 3.24Å; R103-F107 WeakPolarHBondContact O-CB 3.35Å; R103-F107 PolarHBondContact O-N 2.88Å; N104-F107 PolarHBondContact O-N 2.88Å; I105-F107 PolarHBondContact O-N 3.03Å; F107-L110 PolarHBondContact O-N 2.93Å; F107-Q111 VanDerWaalsContact CZ-NE2 3.34Å; F107-Q111 WeakPolarHBondContact O-CG 3.43Å; F107-Q111 PolarHBondContact O-N 3.3Å; F107-L279 HydrophobicContact CD2-CD2 3.44Å; F107-L279 VanDerWaalsContact CD2-CD2 3.44Å; F107-L279 HydrophobicContact CE2-CD2 3.76Å; F107-L279 HydrophobicContact CG-CD2 4.15Å; F107-F284 HydrophobicContact CB-CD1 3.92Å; F107-F284 HydrophobicContact CB-CE1 3.75Å; F107-F284 HydrophobicContact CD2-CB 4.21Å; F107-F284 AromaticContact CD2-CD1 3.61Å; F107-F284 HydrophobicContact CD2-CD1 3.61Å; F107-F284 HydrophobicContact CD2-CE1 4.09Å; F107-F284 AromaticContact CD2-CG 3.88Å; F107-F284 HydrophobicContact CD2-CG 3.88Å; F107-F284 HydrophobicContact CE2-CB 4.39Å; F107-F284 HydrophobicContact CE2-CG 4.49Å; F107-F284 HydrophobicContact CG-CD1 4.21Å; F107-F284 HydrophobicContact CG-CE1 4.43Å; F107-L290 HydrophobicContact CB-CB 4.44Å; F107-L290 HydrophobicContact CB-CD1 4.49Å; F107-L290 HydrophobicContact CD1-CB 3.44Å; F107-L290 VanDerWaalsContact CD1-CB 3.44Å; F107-L290 HydrophobicContact CD2-CB 4.36Å; F107-L290 HydrophobicContact CD2-CD1 4.1Å; F107-L290 HydrophobicContact CE1-CB 3.52Å; F107-L290 WeakPolarHBondContact CE1-O 3.49Å; F107-L290 HydrophobicContact CE2-CB 4.45Å; F107-L290 HydrophobicContact CE2-CD1 4.39Å; F107-L290 HydrophobicContact CG-CB 3.87Å; F107-L290 HydrophobicContact CG-CD1 4.18Å; F107-L290 HydrophobicContact CZ-CB 4.05Å
108Q98.3Very high97.2Very high0 Ų027.8 Ų27.80%014%0.143CC..Hα-helixtrans-64.9-41177.6-72.5-17455.400113.1N61 N104 I105 Q111 G112 E137 V139 G291 T292N61-Q108 VanDerWaalsContact CB-O 3.26Å; N61-Q108 WeakPolarHBondContact CB-O 3.48Å; N61-Q108 WeakPolarHBondContact ND2-CB 3.25Å; N61-Q108 PolarHBondContact ND2-OE1 2.67Å; N104-Q108 PolarHBondContact ND2-NE2 2.89Å; N104-Q108 WeakPolarHBondContact O-CG 3.34Å; N104-Q108 PolarHBondContact O-N 3.49Å; N104-Q108 PolarHBondContact OD1-NE2 2.94Å; I105-Q108 PolarHBondContact O-N 2.91Å; Q108-Q111 PolarHBondContact O-N 3.02Å; Q108-G112 PolarHBondContact O-N 3.49Å; Q108-E137 PolarHBondContact NE2-O 3.16Å; Q108-E137 PolarHBondContact OE1-O 2.61Å; Q108-V139 HydrophobicContact CB-CB 4.23Å; Q108-G291 PolarHBondContact NE2-O 2.93Å; Q108-T292 PolarHBondContact OE1-OG1 3.1Å
109I98.6Very high97.1Very high2 Ų228.2 Ų28.21%0.0114%0.138CC..Hα-helixtrans-62-46.9174.6-65160.5000110.6L86 I105 M106 G112 L113 M126 L131 V139 V186 I189L86-I109 HydrophobicContact CD1-CD1 4.18Å; I105-I109 HydrophobicContact CG2-CD1 3.64Å; I105-I109 HydrophobicContact CG2-CG1 4.49Å; I105-I109 WeakPolarHBondContact O-CD1 3.42Å; I105-I109 VanDerWaalsContact O-CG1 3.26Å; I105-I109 WeakPolarHBondContact O-CG1 3.34Å; I105-I109 PolarHBondContact O-N 2.9Å; M106-I109 PolarHBondContact O-N 2.98Å; M106-I109 HydrophobicContact SD-CD1 4.27Å; I109-G112 PolarHBondContact O-N 3.02Å; I109-L113 HydrophobicContact CG2-CD1 4.31Å; I109-L113 PolarHBondContact O-N 2.9Å; I109-M126 HydrophobicContact CG2-CE 3.88Å; I109-L131 HydrophobicContact CD1-CD1 3.69Å; I109-L131 HydrophobicContact CG1-CD1 4.05Å; I109-L131 HydrophobicContact CG1-CD2 4Å; I109-V139 HydrophobicContact CG1-CG1 4.05Å; I109-V186 HydrophobicContact CG2-CG2 3.77Å; I109-I189 HydrophobicContact CD1-CG2 4.41Å
110L98.6Very high96.7Very high0 Ų027.2 Ų27.20%014%0.137CC..Hα-helixtrans-68.4-35.1-179.4-73170.2000112.6M106 F107 A114 V186 S275 A278 L279 F284M106-L110 WeakPolarHBondContact O-CB 2.98Å; M106-L110 WeakPolarHBondContact O-CG 3.44Å; M106-L110 PolarHBondContact O-N 3.44Å; F107-L110 PolarHBondContact O-N 2.93Å; L110-A114 VanDerWaalsContact O-CB 3.25Å; L110-A114 WeakPolarHBondContact O-CB 3.36Å; L110-A114 PolarHBondContact O-N 3.11Å; L110-V186 HydrophobicContact CD2-CG1 3.99Å; L110-V186 HydrophobicContact CG-CG1 4.36Å; L110-S275 WeakPolarHBondContact O-CB 3.42Å; L110-A278 HydrophobicContact CD1-CB 3.92Å; L110-A278 HydrophobicContact CD2-CB 3.96Å; L110-L279 HydrophobicContact CB-CD1 4.4Å; L110-L279 HydrophobicContact CB-CD2 3.69Å; L110-L279 HydrophobicContact CB-CG 3.83Å; L110-L279 HydrophobicContact CD1-CD2 4.49Å; L110-F284 HydrophobicContact CD1-CE2 3.89Å; L110-F284 HydrophobicContact CD1-CZ 3.69Å
111Q98Very high96.4Very high60 Ų6025.7 Ų25.728%0.2813%0.125SC..Hα-helixtrans-62.4-47.5170.3-74.9-166.19.500111.6F107 Q108 L113 A114 F115 L279F107-Q111 VanDerWaalsContact CZ-NE2 3.34Å; F107-Q111 WeakPolarHBondContact O-CG 3.43Å; F107-Q111 PolarHBondContact O-N 3.3Å; Q108-Q111 PolarHBondContact O-N 3.02Å; Q111-L113 PolarHBondContact O-N 3.22Å; Q111-A114 PolarHBondContact O-N 3.27Å; Q111-F115 PolarHBondContact O-N 2.71Å; Q111-L279 HydrophobicContact CG-CD1 4.04Å; Q111-L279 HydrophobicContact CG-CD2 4.15Å
112G97.9Very high96.1Very high0 Ų025.2 Ų25.20%012%0.121CC..Hα-helixtrans-56.4-4817600000112.3Q108 I109 F115 I116Q108-G112 PolarHBondContact O-N 3.49Å; I109-G112 PolarHBondContact O-N 3.02Å; G112-F115 PolarHBondContact O-N 3.27Å; G112-I116 WeakPolarHBondContact O-CD1 3.39Å; G112-I116 WeakPolarHBondContact O-CG1 3.21Å; G112-I116 PolarHBondContact O-N 3.16Å
113L97.9Very high95.9Very high0 Ų025.2 Ų25.20%012%0.121CC..Hα-helixtrans-67.1-39.4176.5-74.9176.5000113.1I109 Q111 F115 I116 H117 H123 M126 I141 D182 V186 S275I109-L113 HydrophobicContact CG2-CD1 4.31Å; I109-L113 PolarHBondContact O-N 2.9Å; Q111-L113 PolarHBondContact O-N 3.22Å; L113-F115 PolarHBondContact O-N 3.05Å; L113-I116 HydrophobicContact CD2-CD1 4.33Å; L113-I116 PolarHBondContact O-N 2.95Å; L113-H117 VanDerWaalsContact O-CB 3.27Å; L113-H117 WeakPolarHBondContact O-CB 3.48Å; L113-H117 PolarHBondContact O-N 3.3Å; L113-H123 HydrophobicContact CD2-CB 4.33Å; L113-M126 HydrophobicContact CD1-CE 4.1Å; L113-M126 HydrophobicContact CD2-CE 4.3Å; L113-M126 HydrophobicContact CD2-CG 4.38Å; L113-M126 HydrophobicContact CD2-SD 3.9Å; L113-M126 HydrophobicContact CG-CE 4.29Å; L113-I141 HydrophobicContact CD2-CD1 4.02Å; L113-I141 HydrophobicContact CG-CD1 3.81Å; L113-D182 HydrophobicContact CD1-CB 4.09Å; L113-D182 HydrophobicContact CD2-CB 4.07Å; L113-V186 HydrophobicContact CD1-CG2 3.47Å; L113-V186 VanDerWaalsContact CD1-CG2 3.47Å; L113-S275 WeakPolarHBondContact CB-OG 3.28Å
114A97.8Very high95.5Very high23 Ų2324 Ų2419%0.1912%0.116CC..Hα-helixtrans-57.8-41.2175.300000111.3L110 Q111 K118 A276 L279L110-A114 VanDerWaalsContact O-CB 3.25Å; L110-A114 WeakPolarHBondContact O-CB 3.36Å; L110-A114 PolarHBondContact O-N 3.11Å; Q111-A114 PolarHBondContact O-N 3.27Å; A114-K118 VanDerWaalsContact O-CB 3.25Å; A114-K118 WeakPolarHBondContact O-CB 3.38Å; A114-K118 PolarHBondContact O-N 2.84Å; A114-A276 HydrophobicContact CB-CB 4.37Å; A114-L279 HydrophobicContact CB-CD1 4.33Å
115F96.8Very high95.2Very high41 Ų4123.7 Ų23.718%0.1812%0.115CC..Hα-helixtrans-66.6-48.1174.6-179.1-85000112.4L57 N58 H59 Q111 G112 L113 H117 K118 H119L57-F115 HydrophobicContact CB-CE1 4.33Å; L57-F115 HydrophobicContact CD2-CD1 4.03Å; L57-F115 HydrophobicContact CD2-CE1 3.73Å; N58-F115 WeakPolarHBondContact O-CZ 3.25Å; H59-F115 HydrophobicContact CB-CB 4.33Å; H59-F115 HydrophobicContact CB-CD1 3.6Å; H59-F115 HydrophobicContact CB-CD2 3.92Å; H59-F115 HydrophobicContact CB-CE1 3.78Å; H59-F115 HydrophobicContact CB-CE2 4.07Å; H59-F115 HydrophobicContact CB-CG 3.68Å; H59-F115 HydrophobicContact CB-CZ 4.02Å; H59-F115 AromaticContact CD2-CD2 3.48Å; H59-F115 VanDerWaalsContact CD2-CD2 3.48Å; H59-F115 WeakPolarHBondContact CD2-CD2 3.31Å; H59-F115 AromaticContact CD2-CG 3.69Å; H59-F115 AromaticContact CG-CD2 3.89Å; H59-F115 AromaticContact CG-CG 3.69Å; Q111-F115 PolarHBondContact O-N 2.71Å; G112-F115 PolarHBondContact O-N 3.27Å; L113-F115 PolarHBondContact O-N 3.05Å; F115-H117 PolarHBondContact O-N 3.44Å; F115-K118 PolarHBondContact O-N 3.01Å; F115-H119 AromaticContact CD1-ND1 3.77Å; F115-H119 AromaticContact CD2-CE1 3.7Å; F115-H119 AromaticContact CD2-ND1 3.96Å; F115-H119 AromaticContact CE1-CE1 3.79Å; F115-H119 AromaticContact CE1-ND1 3.58Å; F115-H119 AromaticContact CE2-CE1 3.25Å; F115-H119 WeakPolarHBondContact CE2-CE1 3.43Å; F115-H119 AromaticContact CE2-ND1 3.81Å; F115-H119 AromaticContact CG-ND1 3.94Å; F115-H119 AromaticContact CZ-CE1 3.28Å; F115-H119 WeakPolarHBondContact CZ-CE1 3.4Å; F115-H119 AromaticContact CZ-ND1 3.6Å; F115-H119 AromaticContact CZ-NE2 3.94Å; F115-H119 PolarHBondContact O-N 2.97Å; F115-H119 VanDerWaalsContact O-N 3.1Å; F115-H119 PolarHBondContact O-ND1 3.36Å
116I95.5Very high95.1Very high0 Ų023.9 Ų23.90%012%0.115CC..Hα-helixtrans-59.6-47.5178.8-67.4161.2000110.8L57 V62 G112 L113 H119 G120 F121 I141 F144L57-I116 HydrophobicContact CD1-CG1 4.37Å; L57-I116 HydrophobicContact CD2-CG1 4.28Å; V62-I116 HydrophobicContact CG2-CD1 4.01Å; V62-I116 HydrophobicContact CG2-CG1 4.02Å; G112-I116 WeakPolarHBondContact O-CD1 3.39Å; G112-I116 WeakPolarHBondContact O-CG1 3.21Å; G112-I116 PolarHBondContact O-N 3.16Å; L113-I116 HydrophobicContact CD2-CD1 4.33Å; L113-I116 PolarHBondContact O-N 2.95Å; I116-H119 PolarHBondContact O-N 2.94Å; I116-G120 PolarHBondContact O-N 3.5Å; I116-F121 CarbonylContact C-O 3.55Å; I116-F121 HydrophobicContact CG2-CB 3.74Å; I116-F121 PolarHBondContact O-N 3.5Å; I116-F121 VanDerWaalsContact O-N 3.08Å; I116-I141 HydrophobicContact CD1-CB 4.27Å; I116-I141 HydrophobicContact CD1-CD1 3.65Å; I116-I141 HydrophobicContact CD1-CG2 4.03Å; I116-F144 HydrophobicContact CD1-CE1 3.81Å; I116-F144 HydrophobicContact CD1-CZ 3.73Å; I116-F144 HydrophobicContact CG1-CE1 4.11Å; I116-F144 HydrophobicContact CG1-CZ 4.27Å; I116-F144 HydrophobicContact CG2-CE1 4.41Å
117H95.4Very high94.9Very high26 Ų2624.7 Ų24.712%0.1212%0.119CC..Hα-helixtrans-64.9-40.4179.4-63.2171.5000111.7L113 F115 H119 G120 F121 I150 D182 Q183 S275L113-H117 VanDerWaalsContact O-CB 3.27Å; L113-H117 WeakPolarHBondContact O-CB 3.48Å; L113-H117 PolarHBondContact O-N 3.3Å; F115-H117 PolarHBondContact O-N 3.44Å; H117-H119 VanDerWaalsContact C-N 3.29Å; H117-H119 PolarHBondContact O-N 2.75Å; H117-G120 PolarHBondContact O-N 3.23Å; H117-F121 VanDerWaalsContact CA-O 3.32Å; H117-F121 WeakPolarHBondContact CA-O 3.31Å; H117-F121 PolarHBondContact CD2-O 3.49Å; H117-F121 VanDerWaalsContact CD2-O 3.3Å; H117-I150 HydrophobicContact CB-CD1 4.4Å; H117-I150 WeakPolarHBondContact O-CD1 3.24Å; H117-D182 IonicContact CD2-OD2 2.77Å; H117-D182 IonicContact CE1-OD2 2.71Å; H117-D182 IonicContact NE2-OD2 2.61Å; H117-D182 PolarHBondContact NE2-OD2 3.17Å; H117-Q183 PolarHBondContact CE1-NE2 3.2Å; H117-S275 PolarHBondContact ND1-OG 3.42Å
118K94.6Very high94.8Very high182 Ų18223 Ų2379%0.79111%0.112SC*.Hα-helixtrans-62-34.3174.1-177177.4178.2-177.70112.8A114 F115 G120A114-K118 VanDerWaalsContact O-CB 3.25Å; A114-K118 WeakPolarHBondContact O-CB 3.38Å; A114-K118 PolarHBondContact O-N 2.84Å; F115-K118 PolarHBondContact O-N 3.01Å; K118-G120 PolarHBondContact O-N 3.01Å
119H92.7Very high94.5Very high84 Ų8424.3 Ų24.339%0.38912%0.118SC..THydrogen-bonded Turntrans-80.911.7175.4-70.383.2000113.5L57 F115 I116 H117 F121L57-H119 HydrophobicContact CD2-CB 3.83Å; F115-H119 AromaticContact CD1-ND1 3.77Å; F115-H119 AromaticContact CD2-CE1 3.7Å; F115-H119 AromaticContact CD2-ND1 3.96Å; F115-H119 AromaticContact CE1-CE1 3.79Å; F115-H119 AromaticContact CE1-ND1 3.58Å; F115-H119 AromaticContact CE2-CE1 3.25Å; F115-H119 WeakPolarHBondContact CE2-CE1 3.43Å; F115-H119 AromaticContact CE2-ND1 3.81Å; F115-H119 AromaticContact CG-ND1 3.94Å; F115-H119 AromaticContact CZ-CE1 3.28Å; F115-H119 WeakPolarHBondContact CZ-CE1 3.4Å; F115-H119 AromaticContact CZ-ND1 3.6Å; F115-H119 AromaticContact CZ-NE2 3.94Å; F115-H119 PolarHBondContact O-N 2.97Å; F115-H119 VanDerWaalsContact O-N 3.1Å; F115-H119 PolarHBondContact O-ND1 3.36Å; I116-H119 PolarHBondContact O-N 2.94Å; H117-H119 VanDerWaalsContact C-N 3.29Å; H117-H119 PolarHBondContact O-N 2.75Å; H119-F121 VanDerWaalsContact C-N 3.35Å; H119-F121 HydrophobicContact CB-CD2 4.35Å; H119-F121 WeakPolarHBondContact O-CD2 3.25Å; H119-F121 PolarHBondContact O-N 3.35Å
120G88.6Confident94.3Very high16 Ų1624.8 Ų24.817%0.16512%0.12CC..THydrogen-bonded Turntrans76.517.9175.200000113.9I116 H117 K118 E149 I150I116-G120 PolarHBondContact O-N 3.5Å; H117-G120 PolarHBondContact O-N 3.23Å; K118-G120 PolarHBondContact O-N 3.01Å; G120-E149 CarbonylContact O-C 3.53Å; G120-E149 WeakPolarHBondContact O-CA 3.37Å; G120-E149 WeakPolarHBondContact O-CG 3.5Å; G120-I150 WeakPolarHBondContact O-CB 3.24Å; G120-I150 PolarHBondContact O-N 2.87Å
121F89.4Confident94.2Very high19 Ų1924.8 Ų24.88%0.08312%0.12CC..EExtended strand (participates in β ladder)trans-109.5158.5174.8-70.3-82.5000111.5S53 K56 L57 I116 H117 H119 R148 I150S53-F121 WeakPolarHBondContact OG-CD1 3.35Å; S53-F121 WeakPolarHBondContact OG-CE1 3.28Å; K56-F121 HydrophobicContact CB-CE2 4.19Å; K56-F121 HydrophobicContact CD-CE2 3.99Å; K56-F121 HydrophobicContact CD-CZ 4.11Å; L57-F121 HydrophobicContact CD1-CD2 4.39Å; L57-F121 HydrophobicContact CD2-CD2 4.29Å; L57-F121 HydrophobicContact CG-CD2 4.44Å; I116-F121 CarbonylContact C-O 3.55Å; I116-F121 HydrophobicContact CG2-CB 3.74Å; I116-F121 PolarHBondContact O-N 3.5Å; I116-F121 VanDerWaalsContact O-N 3.08Å; H117-F121 VanDerWaalsContact CA-O 3.32Å; H117-F121 WeakPolarHBondContact CA-O 3.31Å; H117-F121 PolarHBondContact CD2-O 3.49Å; H117-F121 VanDerWaalsContact CD2-O 3.3Å; H119-F121 VanDerWaalsContact C-N 3.35Å; H119-F121 HydrophobicContact CB-CD2 4.35Å; H119-F121 WeakPolarHBondContact O-CD2 3.25Å; H119-F121 PolarHBondContact O-N 3.35Å; F121-R148 CarbonylContact C-O 3.51Å; F121-R148 VanDerWaalsContact CA-O 3.32Å; F121-R148 WeakPolarHBondContact CA-O 3.27Å; F121-I150 WeakPolarHBondContact O-CD1 3.45Å
122F90.8Very high94.2Very high0 Ų024.1 Ų24.10%012%0.118CC..EExtended strand (participates in β ladder)trans-136.6144.9165.265.7-70.6000110R124 A147 R148 I150 Y156 Y177 I181F122-R124 HydrophobicContact CD2-CG 3.47Å; F122-R124 VanDerWaalsContact CD2-CG 3.47Å; F122-R124 HydrophobicContact CE2-CG 3.41Å; F122-R124 VanDerWaalsContact CE2-CG 3.41Å; F122-R124 HydrophobicContact CG-CG 4.31Å; F122-R124 HydrophobicContact CZ-CG 4.2Å; F122-A147 WeakPolarHBondContact O-CA 3.27Å; F122-R148 VanDerWaalsContact CD1-O 3.3Å; F122-R148 WeakPolarHBondContact CD1-O 3.46Å; F122-R148 HydrophobicContact CE1-CB 3.97Å; F122-R148 HydrophobicContact CZ-CB 4.36Å; F122-R148 PolarHBondContact N-O 2.82Å; F122-R148 PolarHBondContact O-N 2.81Å; F122-I150 HydrophobicContact CB-CG1 4.26Å; F122-I150 HydrophobicContact CD1-CG1 3.77Å; F122-I150 HydrophobicContact CG-CG1 4.42Å; F122-Y156 HydrophobicContact CE1-CE1 4.36Å; F122-Y156 HydrophobicContact CZ-CD1 4.49Å; F122-Y156 AromaticContact CZ-CE1 3.74Å; F122-Y156 HydrophobicContact CZ-CE1 3.74Å; F122-Y156 AromaticContact CZ-CZ 3.93Å; F122-Y177 AromaticContact CE2-CD2 3.91Å; F122-Y177 HydrophobicContact CE2-CD2 3.91Å; F122-Y177 HydrophobicContact CE2-CE2 4.03Å; F122-Y177 HydrophobicContact CZ-CD2 4.42Å; F122-Y177 HydrophobicContact CZ-CE2 4.48Å; F122-I181 HydrophobicContact CD2-CD1 3.91Å; F122-I181 HydrophobicContact CD2-CG1 4.37Å; F122-I181 HydrophobicContact CE2-CD1 3.88Å
123H92Very high94.1Very high0 Ų024.1 Ų24.10%012%0.118CC..  trans-76.8-37.3-162.9-161.5-100.6000112.2L113 D125 M126 A142 F144 D182L113-H123 HydrophobicContact CD2-CB 4.33Å; H123-D125 PolarHBondContact CE1-O 3.32Å; H123-D125 PolarHBondContact ND1-O 2.93Å; H123-D125 VanDerWaalsContact ND1-O 3.12Å; H123-D125 PolarHBondContact O-N 3.15Å; H123-M126 HydrophobicContact CB-CG 3.97Å; H123-M126 HydrophobicContact CB-SD 3.74Å; H123-M126 VanDerWaalsContact CG-SD 3.6Å; H123-M126 PolarHBondContact ND1-SD 2.97Å; H123-A142 PolarHBondContact CE1-O 3.08Å; H123-A142 PolarHBondContact NE2-O 3.31Å; H123-A142 VanDerWaalsContact NE2-O 3.17Å; H123-F144 AromaticContact CD2-CD1 3.79Å; H123-F144 AromaticContact CD2-CE1 3.63Å; H123-F144 AromaticContact CD2-CZ 3.98Å; H123-D182 PolarHBondContact N-OD1 3.4Å; H123-D182 PolarHBondContact N-OD2 3.21Å
124R91.2Very high93.9Very high6 Ų628.4 Ų28.42%0.02314%0.139CC..SBendtrans67.6-32-177.7-57.6176.361.8-130.86.4114.6F122 L146 T157 Y159 Y177 I181 D182F122-R124 HydrophobicContact CD2-CG 3.47Å; F122-R124 VanDerWaalsContact CD2-CG 3.47Å; F122-R124 HydrophobicContact CE2-CG 3.41Å; F122-R124 VanDerWaalsContact CE2-CG 3.41Å; F122-R124 HydrophobicContact CG-CG 4.31Å; F122-R124 HydrophobicContact CZ-CG 4.2Å; R124-L146 WeakPolarHBondContact CD-O 3.3Å; R124-L146 PolarHBondContact NH1-O 2.95Å; R124-T157 PolarHBondContact NH2-O 3.31Å; R124-T157 VanDerWaalsContact NH2-O 3.1Å; R124-Y159 HydrophobicContact CB-CE2 4.49Å; R124-Y159 WeakPolarHBondContact O-CE2 3.49Å; R124-Y159 VanDerWaalsContact O-CZ 3.27Å; R124-Y159 PolarHBondContact O-OH 3.1Å; R124-Y177 PolarHBondContact NH2-OH 2.81Å; R124-I181 HydrophobicContact CB-CD1 4.22Å; R124-I181 HydrophobicContact CG-CD1 3.98Å; R124-D182 PolarHBondContact N-OD1 3.36Å
125D90.3Very high93.6Very high4 Ų427.9 Ų27.92%0.02114%0.137CC..  trans-12159.2-176-170.626000111.9H123 K127 N130 L146 S161H123-D125 PolarHBondContact CE1-O 3.32Å; H123-D125 PolarHBondContact ND1-O 2.93Å; H123-D125 VanDerWaalsContact ND1-O 3.12Å; H123-D125 PolarHBondContact O-N 3.15Å; D125-K127 IonicContact OD1-NZ 2.82Å; D125-K127 PolarHBondContact OD1-NZ 3.12Å; D125-K127 IonicContact OD2-NZ 2.7Å; D125-K127 PolarHBondContact OD2-NZ 3.48Å; D125-N130 VanDerWaalsContact CG-ND2 3.27Å; D125-N130 PolarHBondContact O-ND2 3.23Å; D125-N130 PolarHBondContact OD2-ND2 3.1Å; D125-L146 HydrophobicContact CB-CB 4.23Å; D125-L146 HydrophobicContact CB-CD1 3.9Å; D125-S161 VanDerWaalsContact CG-OG 3.27Å; D125-S161 VanDerWaalsContact OD1-CB 3.25Å; D125-S161 WeakPolarHBondContact OD1-CB 3.35Å; D125-S161 PolarHBondContact OD1-OG 2.94Å; D125-S161 PolarHBondContact OD2-OG 3.42Å
126M95.8Very high93.3Very high3 Ų327.6 Ų27.62%0.01514%0.139CC..  trans-80.7117173.3-69.6-58.5-65.200109.8I109 L113 H123 L131 I141 Y165 D182 A185 V186 I189I109-M126 HydrophobicContact CG2-CE 3.88Å; L113-M126 HydrophobicContact CD1-CE 4.1Å; L113-M126 HydrophobicContact CD2-CE 4.3Å; L113-M126 HydrophobicContact CD2-CG 4.38Å; L113-M126 HydrophobicContact CD2-SD 3.9Å; L113-M126 HydrophobicContact CG-CE 4.29Å; H123-M126 HydrophobicContact CB-CG 3.97Å; H123-M126 HydrophobicContact CB-SD 3.74Å; H123-M126 VanDerWaalsContact CG-SD 3.6Å; H123-M126 PolarHBondContact ND1-SD 2.97Å; M126-L131 HydrophobicContact CE-CD1 4.42Å; M126-L131 HydrophobicContact CE-CD2 3.86Å; M126-L131 HydrophobicContact CE-CG 4.42Å; M126-I141 HydrophobicContact CE-CD1 4.35Å; M126-I141 HydrophobicContact CE-CG1 4.34Å; M126-I141 HydrophobicContact SD-CG2 4.05Å; M126-Y165 VanDerWaalsContact O-CB 3.31Å; M126-Y165 WeakPolarHBondContact O-CB 3.28Å; M126-D182 HydrophobicContact CG-CB 4.04Å; M126-A185 HydrophobicContact CB-CB 3.55Å; M126-V186 HydrophobicContact CE-CG2 4.32Å; M126-I189 HydrophobicContact CB-CD1 4.45Å
127K94.6Very high93.1Very high18 Ų1831.3 Ų31.38%0.07816%0.156CC..  trans-157.3159.4177.660178.1-171.1-96.10110.5D125 E129 N130 L131 S161 Y165D125-K127 IonicContact OD1-NZ 2.82Å; D125-K127 PolarHBondContact OD1-NZ 3.12Å; D125-K127 IonicContact OD2-NZ 2.7Å; D125-K127 PolarHBondContact OD2-NZ 3.48Å; K127-E129 VanDerWaalsContact CD-OE2 3.31Å; K127-E129 WeakPolarHBondContact CD-OE2 3.46Å; K127-E129 HydrophobicContact CG-CB 4.46Å; K127-E129 WeakPolarHBondContact CG-OE2 3.5Å; K127-E129 PolarHBondContact O-N 2.9Å; K127-E129 VanDerWaalsContact O-N 3.13Å; K127-N130 VanDerWaalsContact CE-OD1 3.24Å; K127-N130 WeakPolarHBondContact CE-OD1 3.26Å; K127-N130 HydrophobicContact CG-CB 4.01Å; K127-N130 PolarHBondContact NZ-ND2 3.2Å; K127-N130 PolarHBondContact NZ-OD1 2.75Å; K127-N130 PolarHBondContact O-N 3.41Å; K127-L131 PolarHBondContact O-N 2.86Å; K127-S161 PolarHBondContact NZ-OG 2.67Å; K127-S161 VanDerWaalsContact NZ-OG 3.15Å; K127-Y165 HydrophobicContact CB-CD2 3.54Å; K127-Y165 HydrophobicContact CB-CE2 3.81Å; K127-Y165 HydrophobicContact CB-CG 4.15Å
128P95.5Very high93.1Very high0 Ų031 Ų310%016%0.155CC..G310 helixtrans-60.6-22-176.9-24.334.5000115.2L86 Y87 M90 Y165 I189L86-P128 HydrophobicContact CB-CB 4.11Å; L86-P128 PolarHBondContact N-O 3.38Å; L86-P128 VanDerWaalsContact N-O 3.11Å; Y87-P128 PolarHBondContact N-O 2.83Å; Y87-P128 VanDerWaalsContact N-O 3.1Å; M90-P128 HydrophobicContact CE-CB 3.62Å; M90-P128 HydrophobicContact CE-CG 3.77Å; P128-Y165 WeakPolarHBondContact CD-OH 3.33Å; P128-Y165 HydrophobicContact CG-CE1 4.1Å; P128-I189 HydrophobicContact CG-CG1 4.18Å
129E92.2Very high93.2Very high26 Ų2622.4 Ų22.412%0.12112%0.118CC..G310 helixtrans-72.4-29.5173.1-60.784.3171.900113.5N85 Y87 K127 L131 W631 K634N85-E129 WeakPolarHBondContact CB-O 3.35Å; N85-E129 PolarHBondContact ND2-O 3.08Å; Y87-E129 HydrophobicContact CG-CG 4.38Å; K127-E129 VanDerWaalsContact CD-OE2 3.31Å; K127-E129 WeakPolarHBondContact CD-OE2 3.46Å; K127-E129 HydrophobicContact CG-CB 4.46Å; K127-E129 WeakPolarHBondContact CG-OE2 3.5Å; K127-E129 PolarHBondContact O-N 2.9Å; K127-E129 VanDerWaalsContact O-N 3.13Å; E129-L131 VanDerWaalsContact C-N 3.31Å; E129-W631 VanDerWaalsContact OE1-CZ3 3.28Å; E129-W631 WeakPolarHBondContact OE1-CZ3 3.43Å; E129-K634 IonicContact OE1-NZ 3.78Å; E129-K634 PolarHBondContact OE1-NZ 3.44Å
130N94.9Very high93.5Very high13 Ų1318.9 Ų18.97%0.0710%0.102CC..G310 helixtrans-91.14.5-177.9-71.911.1000112.2D125 K127 A142D125-N130 VanDerWaalsContact CG-ND2 3.27Å; D125-N130 PolarHBondContact O-ND2 3.23Å; D125-N130 PolarHBondContact OD2-ND2 3.1Å; K127-N130 VanDerWaalsContact CE-OD1 3.24Å; K127-N130 WeakPolarHBondContact CE-OD1 3.26Å; K127-N130 HydrophobicContact CG-CB 4.01Å; K127-N130 PolarHBondContact NZ-ND2 3.2Å; K127-N130 PolarHBondContact NZ-OD1 2.75Å; K127-N130 PolarHBondContact O-N 3.41Å; N130-A142 WeakPolarHBondContact CB-O 3.26Å; N130-A142 PolarHBondContact O-N 3.47Å
131L97.1Very high93.9Very high0 Ų018.2 Ų18.20%09%0.094CC..EExtended strand (participates in β ladder)trans-109.696.5174.7-69.5173.3000108.4N85 L86 I109 M126 K127 E129 V139 I141 I189N85-L131 CarbonylContact C-O 3.55Å; N85-L131 VanDerWaalsContact CA-O 3.26Å; N85-L131 WeakPolarHBondContact CA-O 3.06Å; N85-L131 WeakPolarHBondContact CB-O 3.25Å; L86-L131 HydrophobicContact CB-CB 4.28Å; L86-L131 HydrophobicContact CD1-CB 3.65Å; L86-L131 HydrophobicContact CD1-CD1 3.72Å; L86-L131 HydrophobicContact CD1-CG 4.31Å; L86-L131 HydrophobicContact CG-CB 3.81Å; L86-L131 PolarHBondContact N-O 3.19Å; I109-L131 HydrophobicContact CD1-CD1 3.69Å; I109-L131 HydrophobicContact CG1-CD1 4.05Å; I109-L131 HydrophobicContact CG1-CD2 4Å; M126-L131 HydrophobicContact CE-CD1 4.42Å; M126-L131 HydrophobicContact CE-CD2 3.86Å; M126-L131 HydrophobicContact CE-CG 4.42Å; K127-L131 PolarHBondContact O-N 2.86Å; E129-L131 VanDerWaalsContact C-N 3.31Å; L131-V139 HydrophobicContact CB-CG1 4.32Å; L131-V139 HydrophobicContact CD2-CG1 4.37Å; L131-I141 HydrophobicContact CD2-CB 4.46Å; L131-I141 HydrophobicContact CD2-CG1 3.8Å; L131-I189 HydrophobicContact CD1-CD1 3.91Å; L131-I189 HydrophobicContact CD1-CG2 4.21Å
132L96.7Very high94.1Very high45 Ų4517.6 Ų17.624%0.2369%0.093CC..EExtended strand (participates in β ladder)trans-81.3144-179.3-55.9-174.9000110I63 M82 N85 V139 K140 A142I63-L132 HydrophobicContact CD1-CD1 3.89Å; I63-L132 HydrophobicContact CG1-CD1 4.18Å; M82-L132 HydrophobicContact CB-CB 3.75Å; M82-L132 HydrophobicContact CB-CD1 4.3Å; M82-L132 HydrophobicContact CE-CB 4.37Å; M82-L132 HydrophobicContact CG-CB 3.83Å; M82-L132 HydrophobicContact CG-CD1 4.29Å; N85-L132 HydrophobicContact CB-CD2 3.9Å; L132-V139 CarbonylContact O-C 3.6Å; L132-V139 WeakPolarHBondContact O-CA 3.26Å; L132-K140 PolarHBondContact N-O 3.21Å; L132-K140 PolarHBondContact O-N 2.73Å; L132-A142 HydrophobicContact CD1-CB 3.62Å; L132-A142 HydrophobicContact CG-CB 3.69Å
133C95.6Very high93.7Very high0 Ų020.2 Ų20.20%011%0.107CC..EExtended strand (participates in β ladder)trans-144.6159.3-172.769.30000114.2M82 K83 E84 L86 L138 V139M82-C133 VanDerWaalsContact CE-CA 3.49Å; K83-C133 PolarHBondContact N-O 3.13Å; E84-C133 VanDerWaalsContact CG-SG 3.54Å; E84-C133 PolarHBondContact N-O 2.78Å; E84-C133 PolarHBondContact O-N 3.28Å; E84-C133 PolarHBondContact O-SG 3.24Å; E84-C133 VanDerWaalsContact O-SG 3.35Å; L86-C133 HydrophobicContact CD2-CB 4.07Å; C133-L138 CarbonylContact C-O 3.42Å; C133-L138 WeakPolarHBondContact CA-O 3.45Å; C133-L138 WeakPolarHBondContact CB-O 3.5Å; C133-V139 HydrophobicContact CB-CG2 4.25Å
134M94.3Very high93Very high90 Ų9020.2 Ų20.244%0.44311%0.107SC..SBendtrans-118.357.7168.5-67-71.6-73.900108M82 K83 L138M82-M134 HydrophobicContact CE-CG 3.88Å; M82-M134 HydrophobicContact SD-CG 3.92Å; K83-M134 HydrophobicContact CB-SD 3.58Å; K83-M134 VanDerWaalsContact CB-SD 3.58Å; K83-M134 PolarHBondContact N-SD 3.35Å; M134-L138 HydrophobicContact CB-CB 4.28Å; M134-L138 HydrophobicContact CB-CD2 4.48Å; M134-L138 HydrophobicContact CG-CD2 4.21Å; M134-L138 PolarHBondContact N-O 3.15Å
135G91.2Very high91.8Very high13 Ų1321.5 Ų21.513%0.13412%0.121CC..SBendtrans72.9-169.1-161.100000112.5E137G135-E137 VanDerWaalsContact C-N 3.26Å; G135-E137 PolarHBondContact O-N 3.31Å
136P90.3Very high90.7Very high34 Ų3423 Ų2322%0.22113%0.129CC..THydrogen-bonded Turntrans-68.5-19.2-175.927.3-34.6000114.5A101 I105A101-P136 HydrophobicContact CB-CB 4.11Å; I105-P136 HydrophobicContact CD1-CB 3.98Å; I105-P136 HydrophobicContact CG1-CB 4.12Å
137E92.1Very high89.2Confident78 Ų7822.9 Ų22.936%0.36413%0.129SC..THydrogen-bonded Turntrans-80.1-21-172.1-53.9-45.8134.900114.3N104 Q108 G135 T292 P293 I296N104-E137 PolarHBondContact ND2-OE2 2.7Å; Q108-E137 PolarHBondContact NE2-O 3.16Å; Q108-E137 PolarHBondContact OE1-O 2.61Å; G135-E137 VanDerWaalsContact C-N 3.26Å; G135-E137 PolarHBondContact O-N 3.31Å; E137-T292 WeakPolarHBondContact O-CA 3.2Å; E137-P293 HydrophobicContact CB-CG 4.4Å; E137-I296 HydrophobicContact CB-CD1 4.02Å
138L95.4Very high87.9Confident19 Ų1923.4 Ų23.410%0.09913%0.131CC..  trans-137.1117.9173.7172.460.7000110.3M82 C133 M134 K140 T292 I296M82-L138 HydrophobicContact CE-CD2 4.18Å; M82-L138 HydrophobicContact CE-CG 4.04Å; M82-L138 HydrophobicContact SD-CD2 4.36Å; C133-L138 CarbonylContact C-O 3.42Å; C133-L138 WeakPolarHBondContact CA-O 3.45Å; C133-L138 WeakPolarHBondContact CB-O 3.5Å; M134-L138 HydrophobicContact CB-CB 4.28Å; M134-L138 HydrophobicContact CB-CD2 4.48Å; M134-L138 HydrophobicContact CG-CD2 4.21Å; M134-L138 PolarHBondContact N-O 3.15Å; L138-K140 HydrophobicContact CD1-CG 4.19Å; L138-T292 HydrophobicContact CB-CG2 4.15Å; L138-T292 HydrophobicContact CD1-CG2 3.8Å; L138-T292 WeakPolarHBondContact CD1-OG1 3.4Å; L138-T292 HydrophobicContact CG-CG2 4.41Å; L138-I296 HydrophobicContact CB-CG2 4.39Å; L138-I296 HydrophobicContact CD2-CG2 4.07Å
139V97.3Very high86.5Confident2 Ų226.8 Ų26.81%0.01215%0.146CC..EExtended strand (participates in β ladder)trans-123.5137.1174.7-176.50000110.1N61 L86 I105 Q108 I109 L131 L132 C133N61-V139 WeakPolarHBondContact CA-O 3.47Å; N61-V139 WeakPolarHBondContact CB-O 3.25Å; N61-V139 PolarHBondContact ND2-O 3.43Å; L86-V139 HydrophobicContact CD1-CG1 4.3Å; L86-V139 HydrophobicContact CD2-CG2 4.32Å; I105-V139 HydrophobicContact CB-CG2 4.4Å; I105-V139 HydrophobicContact CG1-CG2 4.02Å; I105-V139 HydrophobicContact CG2-CG2 4.25Å; Q108-V139 HydrophobicContact CB-CB 4.23Å; I109-V139 HydrophobicContact CG1-CG1 4.05Å; L131-V139 HydrophobicContact CB-CG1 4.32Å; L131-V139 HydrophobicContact CD2-CG1 4.37Å; L132-V139 CarbonylContact O-C 3.6Å; L132-V139 WeakPolarHBondContact O-CA 3.26Å; C133-V139 HydrophobicContact CB-CG2 4.25Å
140K97.8Very high85.3Confident11 Ų1127.5 Ų27.55%0.04815%0.151CC..EExtended strand (participates in β ladder)trans-132.9134.9-180-69.5177.6179.5-90.40111.7A60 N61 V62 I63 E80 M82 L132 L138A60-K140 WeakPolarHBondContact O-CE 3.38Å; A60-K140 WeakPolarHBondContact O-CG 3.31Å; A60-K140 PolarHBondContact O-NZ 3.41Å; N61-K140 WeakPolarHBondContact O-CA 3.44Å; V62-K140 PolarHBondContact O-NZ 3.3Å; I63-K140 HydrophobicContact CD1-CB 4.48Å; I63-K140 HydrophobicContact CD1-CD 3.96Å; E80-K140 VanDerWaalsContact OE1-CD 3.25Å; E80-K140 WeakPolarHBondContact OE1-CD 3.47Å; E80-K140 WeakPolarHBondContact OE1-CE 3.5Å; E80-K140 IonicContact OE1-NZ 2.81Å; E80-K140 PolarHBondContact OE1-NZ 3.35Å; E80-K140 WeakPolarHBondContact OE2-CE 3.09Å; E80-K140 IonicContact OE2-NZ 2.71Å; E80-K140 PolarHBondContact OE2-NZ 2.92Å; M82-K140 HydrophobicContact CE-CB 4.29Å; M82-K140 HydrophobicContact CE-CD 3.91Å; M82-K140 HydrophobicContact CE-CG 4.09Å; M82-K140 HydrophobicContact CG-CD 4.42Å; M82-K140 HydrophobicContact SD-CD 3.73Å; L132-K140 PolarHBondContact N-O 3.21Å; L132-K140 PolarHBondContact O-N 2.73Å; L138-K140 HydrophobicContact CD1-CG 4.19Å
141I97.4Very high83.6Confident1 Ų136.4 Ų36.41%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-76.1133.6173.7-57.4170.4000109.7N61 I63 L113 I116 M126 L131 F144N61-I141 PolarHBondContact O-N 3.45Å; I63-I141 WeakPolarHBondContact CG2-O 3.38Å; I63-I141 PolarHBondContact N-O 2.93Å; L113-I141 HydrophobicContact CD2-CD1 4.02Å; L113-I141 HydrophobicContact CG-CD1 3.81Å; I116-I141 HydrophobicContact CD1-CB 4.27Å; I116-I141 HydrophobicContact CD1-CD1 3.65Å; I116-I141 HydrophobicContact CD1-CG2 4.03Å; M126-I141 HydrophobicContact CE-CD1 4.35Å; M126-I141 HydrophobicContact CE-CG1 4.34Å; M126-I141 HydrophobicContact SD-CG2 4.05Å; L131-I141 HydrophobicContact CD2-CB 4.46Å; L131-I141 HydrophobicContact CD2-CG1 3.8Å; I141-F144 HydrophobicContact CG2-CE2 4.4Å; I141-F144 HydrophobicContact CG2-CZ 4.04Å
142A93Very high81.7Confident7 Ų737.9 Ų37.96%0.05819%0.193CC..  trans-142.5170.8-175.800000113.3I63 H123 N130 L132I63-A142 HydrophobicContact CB-CB 4Å; I63-A142 HydrophobicContact CG2-CB 3.71Å; H123-A142 PolarHBondContact CE1-O 3.08Å; H123-A142 PolarHBondContact NE2-O 3.31Å; H123-A142 VanDerWaalsContact NE2-O 3.17Å; N130-A142 WeakPolarHBondContact CB-O 3.26Å; N130-A142 PolarHBondContact O-N 3.47Å; L132-A142 HydrophobicContact CD1-CB 3.62Å; L132-A142 HydrophobicContact CG-CB 3.69Å
143D83.5Confident79.3Confident54 Ų5446.4 Ų46.429%0.28922%0.223SC..  trans62.862.3-174.7-157.820.2000115.6K33 G145K33-D143 IonicContact NZ-OD1 2.75Å; D143-G145 PolarHBondContact O-N 3.39Å
144F77.5Confident77.4Confident1 Ų149.6 Ų49.60%0.00424%0.243CC..G310 helixtrans-69.711.6173.3-68-96.3000114L54 L57 V62 I63 I116 H123 I141 L146 A147L54-F144 HydrophobicContact CD2-CD2 3.67Å; L54-F144 HydrophobicContact CD2-CE2 3.99Å; L54-F144 HydrophobicContact CD2-CG 4.37Å; L54-F144 HydrophobicContact CG-CD2 4.24Å; L57-F144 HydrophobicContact CD1-CD1 3.91Å; L57-F144 HydrophobicContact CD1-CE1 3.5Å; L57-F144 VanDerWaalsContact CD1-CE1 3.5Å; L57-F144 HydrophobicContact CD1-CZ 4.11Å; V62-F144 HydrophobicContact CG1-CE2 3.83Å; V62-F144 HydrophobicContact CG1-CZ 3.7Å; I63-F144 HydrophobicContact CG2-CE2 4.4Å; I116-F144 HydrophobicContact CD1-CE1 3.81Å; I116-F144 HydrophobicContact CD1-CZ 3.73Å; I116-F144 HydrophobicContact CG1-CE1 4.11Å; I116-F144 HydrophobicContact CG1-CZ 4.27Å; I116-F144 HydrophobicContact CG2-CE1 4.41Å; H123-F144 AromaticContact CD2-CD1 3.79Å; H123-F144 AromaticContact CD2-CE1 3.63Å; H123-F144 AromaticContact CD2-CZ 3.98Å; I141-F144 HydrophobicContact CG2-CE2 4.4Å; I141-F144 HydrophobicContact CG2-CZ 4.04Å; F144-L146 PolarHBondContact O-N 3.13Å; F144-A147 HydrophobicContact CB-CB 4.11Å; F144-A147 HydrophobicContact CD1-CB 3.93Å; F144-A147 WeakPolarHBondContact O-CB 3.42Å; F144-A147 PolarHBondContact O-N 3.19Å; F144-A147 VanDerWaalsContact O-N 3.13Å
145G65.3Low75.4Confident32 Ų3250.3 Ų50.333%0.3325%0.254SS..G310 helixtrans-58.8-29.6179.500000113.9D143D143-G145 PolarHBondContact O-N 3.39Å
146L66.7Low73.7Confident36 Ų3651 Ų5119%0.18825%0.253CS..G310 helixtrans-99.3-6.1176.7-66.8179.6000114.6R124 D125 F144R124-L146 WeakPolarHBondContact CD-O 3.3Å; R124-L146 PolarHBondContact NH1-O 2.95Å; D125-L146 HydrophobicContact CB-CB 4.23Å; D125-L146 HydrophobicContact CB-CD1 3.9Å; F144-L146 PolarHBondContact O-N 3.13Å
147A64.3Low71.8Confident1 Ų152.3 Ų52.31%0.00826%0.261CS..  trans-63.8153.8-175.900000113.2F122 F144F122-A147 WeakPolarHBondContact O-CA 3.27Å; F144-A147 HydrophobicContact CB-CB 4.11Å; F144-A147 HydrophobicContact CD1-CB 3.93Å; F144-A147 WeakPolarHBondContact O-CB 3.42Å; F144-A147 PolarHBondContact O-N 3.19Å; F144-A147 VanDerWaalsContact O-N 3.13Å
148R67.2Low69.5Low29 Ų2955.9 Ų55.911%0.10928%0.282CS..EExtended strand (participates in β ladder)trans-142160.6177.3-82.1-172.261158.3-14.1112.7F121 F122 S152 R153 P155F121-R148 CarbonylContact C-O 3.51Å; F121-R148 VanDerWaalsContact CA-O 3.32Å; F121-R148 WeakPolarHBondContact CA-O 3.27Å; F122-R148 VanDerWaalsContact CD1-O 3.3Å; F122-R148 WeakPolarHBondContact CD1-O 3.46Å; F122-R148 HydrophobicContact CE1-CB 3.97Å; F122-R148 HydrophobicContact CZ-CB 4.36Å; F122-R148 PolarHBondContact N-O 2.82Å; F122-R148 PolarHBondContact O-N 2.81Å; R148-S152 PolarHBondContact NE-OG 3.35Å; R148-S152 PolarHBondContact NH2-O 3.24Å; R148-S152 PolarHBondContact NH2-OG 2.97Å; R148-R153 PolarHBondContact NH2-O 3.43Å; R148-P155 PolarHBondContact NH1-O 3.44Å
149E68Low67.2Low70 Ų7056.6 Ų56.633%0.32728%0.284SS..EExtended strand (participates in β ladder)trans-73132.2170.1-167.3-176.7164.100110.3G120 R151 S152G120-E149 CarbonylContact O-C 3.53Å; G120-E149 WeakPolarHBondContact O-CA 3.37Å; G120-E149 WeakPolarHBondContact O-CG 3.5Å; E149-R151 HydrophobicContact CG-CB 4.44Å; E149-R151 PolarHBondContact O-N 2.96Å; E149-R151 VanDerWaalsContact O-N 3.13Å; E149-R151 IonicContact OE1-CZ 3.35Å; E149-R151 VanDerWaalsContact OE1-CZ 3.3Å; E149-R151 IonicContact OE1-NE 2.75Å; E149-R151 PolarHBondContact OE1-NE 2.94Å; E149-R151 IonicContact OE1-NH2 2.65Å; E149-R151 PolarHBondContact OE1-NH2 2.95Å; E149-S152 VanDerWaalsContact O-CB 3.32Å; E149-S152 WeakPolarHBondContact O-CB 3.24Å; E149-S152 PolarHBondContact O-N 3.13Å; E149-S152 PolarHBondContact O-OG 3.27Å
150I66.3Low65Low42 Ų4261.6 Ų61.622%0.21531%0.314CS..THydrogen-bonded Turntrans-52.6-29.6176.3-72.2-177.6000112.4H117 G120 F121 F122 N178H117-I150 HydrophobicContact CB-CD1 4.4Å; H117-I150 WeakPolarHBondContact O-CD1 3.24Å; G120-I150 WeakPolarHBondContact O-CB 3.24Å; G120-I150 PolarHBondContact O-N 2.87Å; F121-I150 WeakPolarHBondContact O-CD1 3.45Å; F122-I150 HydrophobicContact CB-CG1 4.26Å; F122-I150 HydrophobicContact CD1-CG1 3.77Å; F122-I150 HydrophobicContact CG-CG1 4.42Å; I150-N178 WeakPolarHBondContact CG1-OD1 3.48Å; I150-N178 WeakPolarHBondContact CG2-OD1 3.32Å; I150-N178 PolarHBondContact O-ND2 2.87Å
151R59.4Low63.1Low199 Ų19962.1 Ų62.175%0.75132%0.319SS*.THydrogen-bonded Turntrans-97.1-0.3179.9-57-178.5-60.1-174.53.4114E149 R153E149-R151 HydrophobicContact CG-CB 4.44Å; E149-R151 PolarHBondContact O-N 2.96Å; E149-R151 VanDerWaalsContact O-N 3.13Å; E149-R151 IonicContact OE1-CZ 3.35Å; E149-R151 VanDerWaalsContact OE1-CZ 3.3Å; E149-R151 IonicContact OE1-NE 2.75Å; E149-R151 PolarHBondContact OE1-NE 2.94Å; E149-R151 IonicContact OE1-NH2 2.65Å; E149-R151 PolarHBondContact OE1-NH2 2.95Å; R151-R153 PolarHBondContact O-N 3.33Å
152S55.8Low61.8Low31 Ų3162.3 Ų62.322%0.21732%0.32CS..PPolyproline II helixtrans-70.9125.6178.763.40000110.5R148 E149R148-S152 PolarHBondContact NE-OG 3.35Å; R148-S152 PolarHBondContact NH2-O 3.24Å; R148-S152 PolarHBondContact NH2-OG 2.97Å; E149-S152 VanDerWaalsContact O-CB 3.32Å; E149-S152 WeakPolarHBondContact O-CB 3.24Å; E149-S152 PolarHBondContact O-N 3.13Å; E149-S152 PolarHBondContact O-OG 3.27Å
153R48Very low61.6Low225 Ų22565 Ų6585%0.84933%0.329SS*.PPolyproline II helixtrans-58.9143.9-178.7-67.1-177.1179.2174.90.1111.7R148 R151R148-R153 PolarHBondContact NH2-O 3.43Å; R151-R153 PolarHBondContact O-N 3.33Å
154P55.3Low62.1Low66 Ų6662.9 Ų62.943%0.42932%0.317SS..SBendtrans-55.3160.5163.1-26.436.6000112.2Y156 T175P154-Y156 HydrophobicContact CG-CE2 4.26Å; P154-T175 WeakPolarHBondContact CB-O 3.43Å
155P50.9Low63Low105 Ų10563.1 Ų63.168%0.68232%0.318SS*.PPolyproline II helixcis-75.8160.24.230.5-35.7000114.1R148R148-P155 PolarHBondContact NH1-O 3.44Å
156Y56.3Low64.4Low27 Ų2762.5 Ų62.511%0.10631%0.306CS..PPolyproline II helixtrans-93137.2167.6-65.1-65.4000109.9F122 P154 T175 Y177F122-Y156 HydrophobicContact CE1-CE1 4.36Å; F122-Y156 HydrophobicContact CZ-CD1 4.49Å; F122-Y156 AromaticContact CZ-CE1 3.74Å; F122-Y156 HydrophobicContact CZ-CE1 3.74Å; F122-Y156 AromaticContact CZ-CZ 3.93Å; P154-Y156 HydrophobicContact CG-CE2 4.26Å; Y156-T175 VanDerWaalsContact CD2-O 3.28Å; Y156-T175 WeakPolarHBondContact CD2-O 3.46Å; Y156-Y177 VanDerWaalsContact CB-OH 3.26Å; Y156-Y177 WeakPolarHBondContact CB-OH 3.36Å; Y156-Y177 HydrophobicContact CD1-CE2 4.37Å; Y156-Y177 HydrophobicContact CD2-CD1 4.02Å; Y156-Y177 HydrophobicContact CD2-CD2 4.12Å; Y156-Y177 AromaticContact CD2-CE1 3.78Å; Y156-Y177 HydrophobicContact CD2-CE1 3.78Å; Y156-Y177 AromaticContact CD2-CE2 3.88Å; Y156-Y177 HydrophobicContact CD2-CE2 3.88Å; Y156-Y177 HydrophobicContact CD2-CG 4.21Å; Y156-Y177 AromaticContact CD2-CZ 3.73Å; Y156-Y177 HydrophobicContact CE2-CD2 4.17Å; Y156-Y177 HydrophobicContact CE2-CE2 4.31Å; Y156-Y177 HydrophobicContact CE2-CG 4.29Å; Y156-Y177 VanDerWaalsContact CE2-O 3.25Å; Y156-Y177 WeakPolarHBondContact CE2-O 3.43Å; Y156-Y177 HydrophobicContact CG-CE1 4.15Å; Y156-Y177 AromaticContact CG-CE2 3.92Å; Y156-Y177 HydrophobicContact CG-CE2 3.92Å; Y156-Y177 AromaticContact CG-CZ 3.7Å; Y156-Y177 PolarHBondContact OH-O 3.22Å
157T51Low65.8Low63 Ų6360.9 Ų60.939%0.38730%0.297SS..PPolyproline II helixtrans-65.9142.9178.757.10000110.6R124R124-T157 PolarHBondContact NH2-O 3.31Å; R124-T157 VanDerWaalsContact NH2-O 3.1Å
158D43.1Very low67.3Low153 Ų15360.9 Ų60.982%0.81830%0.297SS*.PPolyproline II helixtrans-46.6139.8-177.1-74.5-48000113.3V160D158-V160 PolarHBondContact O-N 3.22Å
159Y47.6Very low68.7Low33 Ų3359.8 Ų59.813%0.12929%0.294CS..  trans-91.8100.9-166.2-166-70.6000110.9R124 R166 V170R124-Y159 HydrophobicContact CB-CE2 4.49Å; R124-Y159 WeakPolarHBondContact O-CE2 3.49Å; R124-Y159 VanDerWaalsContact O-CZ 3.27Å; R124-Y159 PolarHBondContact O-OH 3.1Å; Y159-R166 HydrophobicContact CD1-CG 4.19Å; Y159-R166 HydrophobicContact CE1-CG 3.61Å; Y159-R166 VanDerWaalsContact CE1-NE 3.33Å; Y159-R166 PolarHBondContact O-NH2 2.84Å; Y159-V170 HydrophobicContact CD2-CG1 3.84Å; Y159-V170 HydrophobicContact CE2-CG1 4.22Å; Y159-V170 HydrophobicContact CG-CG1 4.17Å
160V51Low69.9Low107 Ų10756.9 Ų56.965%0.64828%0.281SS*.  trans-106.771.5-180-168.90000110.6D158D158-V160 PolarHBondContact O-N 3.22Å
161S58.1Low71.2Confident22 Ų2254.9 Ų54.915%0.15427%0.27CS..SBendtrans-150.4171.5169.1-168.70000112D125 K127 R163 R166D125-S161 VanDerWaalsContact CG-OG 3.27Å; D125-S161 VanDerWaalsContact OD1-CB 3.25Å; D125-S161 WeakPolarHBondContact OD1-CB 3.35Å; D125-S161 PolarHBondContact OD1-OG 2.94Å; D125-S161 PolarHBondContact OD2-OG 3.42Å; K127-S161 PolarHBondContact NZ-OG 2.67Å; K127-S161 VanDerWaalsContact NZ-OG 3.15Å; S161-R163 PolarHBondContact O-N 3.03Å; S161-R166 PolarHBondContact O-NE 2.9Å; S161-R166 PolarHBondContact O-NH2 2.82Å
162T70Confident72.8Confident5 Ų545.5 Ų45.53%0.03124%0.235CC..  trans-46.7117.1-178-50.30000111.4W164 Y165 W631T162-W164 VanDerWaalsContact C-N 3.28Å; T162-W164 HydrophobicContact CG2-CB 4.48Å; T162-W164 HydrophobicContact CG2-CD2 4.26Å; T162-W164 HydrophobicContact CG2-CG 4.23Å; T162-W164 PolarHBondContact O-N 3.48Å; T162-Y165 HydrophobicContact CG2-CD2 4.19Å; T162-Y165 HydrophobicContact CG2-CE2 3.98Å; T162-W631 HydrophobicContact CG2-CD2 3.84Å; T162-W631 HydrophobicContact CG2-CE3 4.08Å; T162-W631 HydrophobicContact CG2-CG 4.2Å; T162-W631 HydrophobicContact CG2-CZ2 4.5Å; T162-W631 WeakPolarHBondContact OG1-CH2 3.43Å; T162-W631 WeakPolarHBondContact OG1-CZ2 3.43Å
163R88.1Confident74.5Confident65 Ų6551.5 Ų51.525%0.24525%0.253CS..G310 helixtrans-73.2-16.5-167.568.3-174.776.379.7-1.6115.3S161 Y165 R166 G202 S203 S204 T208S161-R163 PolarHBondContact O-N 3.03Å; R163-Y165 VanDerWaalsContact C-N 3.3Å; R163-Y165 PolarHBondContact O-N 3.15Å; R163-R166 WeakPolarHBondContact O-CB 3.29Å; R163-R166 PolarHBondContact O-N 3Å; R163-G202 WeakPolarHBondContact CD-O 3.44Å; R163-G202 WeakPolarHBondContact CG-O 3.23Å; R163-G202 PolarHBondContact NH1-O 2.87Å; R163-S203 PolarHBondContact NH1-O 3.06Å; R163-S204 VanDerWaalsContact CD-O 3.24Å; R163-S204 WeakPolarHBondContact CD-O 3.46Å; R163-T208 VanDerWaalsContact CD-OG1 3.31Å; R163-T208 WeakPolarHBondContact CD-OG1 3.32Å; R163-T208 WeakPolarHBondContact CG-OG1 3.39Å
164W94.5Very high76.5Confident9 Ų941.7 Ų41.73%0.03422%0.219CC..G310 helixtrans-68.8-24.1-170.9-52.5-14.8000114.5T162 P198 F200 P201 G202 W631 Y635T162-W164 VanDerWaalsContact C-N 3.28Å; T162-W164 HydrophobicContact CG2-CB 4.48Å; T162-W164 HydrophobicContact CG2-CD2 4.26Å; T162-W164 HydrophobicContact CG2-CG 4.23Å; T162-W164 PolarHBondContact O-N 3.48Å; W164-P198 HydrophobicContact CE3-CB 3.61Å; W164-P198 HydrophobicContact CE3-CG 3.92Å; W164-P198 HydrophobicContact CH2-CG 4.3Å; W164-P198 HydrophobicContact CZ3-CB 3.78Å; W164-P198 HydrophobicContact CZ3-CG 3.56Å; W164-F200 WeakPolarHBondContact CA-O 3.31Å; W164-F200 WeakPolarHBondContact CB-O 3.25Å; W164-P201 HydrophobicContact CD2-CB 4.27Å; W164-P201 HydrophobicContact CE3-CB 4.45Å; W164-P201 HydrophobicContact CH2-CB 4.11Å; W164-P201 HydrophobicContact CZ2-CB 3.94Å; W164-P201 HydrophobicContact CZ3-CB 4.36Å; W164-G202 VanDerWaalsContact NE1-N 3.15Å; W164-G202 PolarHBondContact NE1-O 3.17Å; W164-W631 HydrophobicContact CH2-CB 3.71Å; W164-W631 WeakPolarHBondContact CH2-O 3.33Å; W164-W631 HydrophobicContact CZ2-CB 3.38Å; W164-W631 HydrophobicContact CZ3-CB 4.44Å; W164-Y635 HydrophobicContact CE3-CE2 4.29Å; W164-Y635 AromaticContact CH2-CD2 3.64Å; W164-Y635 HydrophobicContact CH2-CD2 3.64Å; W164-Y635 AromaticContact CH2-CE2 3.86Å; W164-Y635 HydrophobicContact CH2-CE2 3.86Å; W164-Y635 HydrophobicContact CH2-CG 4.45Å; W164-Y635 AromaticContact CZ3-CD2 3.51Å; W164-Y635 HydrophobicContact CZ3-CD2 3.51Å; W164-Y635 AromaticContact CZ3-CE2 3.28Å; W164-Y635 HydrophobicContact CZ3-CE2 3.28Å; W164-Y635 HydrophobicContact CZ3-CG 4.3Å; W164-Y635 AromaticContact CZ3-CZ 3.89Å
165Y95.9Very high77.9Confident6 Ų643.4 Ų43.42%0.02423%0.228CC..G310 helixtrans-102.42179-47.6-79.6000112.5M126 K127 P128 T162 R163 A185 C188 I189 E192 Y635M126-Y165 VanDerWaalsContact O-CB 3.31Å; M126-Y165 WeakPolarHBondContact O-CB 3.28Å; K127-Y165 HydrophobicContact CB-CD2 3.54Å; K127-Y165 HydrophobicContact CB-CE2 3.81Å; K127-Y165 HydrophobicContact CB-CG 4.15Å; P128-Y165 WeakPolarHBondContact CD-OH 3.33Å; P128-Y165 HydrophobicContact CG-CE1 4.1Å; T162-Y165 HydrophobicContact CG2-CD2 4.19Å; T162-Y165 HydrophobicContact CG2-CE2 3.98Å; R163-Y165 VanDerWaalsContact C-N 3.3Å; R163-Y165 PolarHBondContact O-N 3.15Å; Y165-A185 WeakPolarHBondContact O-CB 3.24Å; Y165-C188 HydrophobicContact CD1-CB 3.81Å; Y165-C188 HydrophobicContact CE1-CB 4.45Å; Y165-I189 HydrophobicContact CD1-CG1 4.01Å; Y165-I189 HydrophobicContact CE1-CG1 4.14Å; Y165-E192 VanDerWaalsContact CE1-OE2 3.23Å; Y165-E192 WeakPolarHBondContact CE1-OE2 3.43Å; Y165-E192 VanDerWaalsContact CZ-OE2 3.32Å; Y165-E192 PolarHBondContact OH-OE2 3.5Å; Y165-Y635 PolarHBondContact OH-OH 3.3Å
166R94.8Very high79.5Confident19 Ų1942.5 Ų42.57%0.07222%0.224CC..  trans-73.3137.6178.4-64.9-179.8-167-167.24.9110.7Y159 S161 R163 L171 W184 E205Y159-R166 HydrophobicContact CD1-CG 4.19Å; Y159-R166 HydrophobicContact CE1-CG 3.61Å; Y159-R166 VanDerWaalsContact CE1-NE 3.33Å; Y159-R166 PolarHBondContact O-NH2 2.84Å; S161-R166 PolarHBondContact O-NE 2.9Å; S161-R166 PolarHBondContact O-NH2 2.82Å; R163-R166 WeakPolarHBondContact O-CB 3.29Å; R163-R166 PolarHBondContact O-N 3Å; R166-L171 HydrophobicContact CB-CD1 4.35Å; R166-L171 HydrophobicContact CB-CD2 3.98Å; R166-L171 HydrophobicContact CB-CG 3.85Å; R166-W184 PolarHBondContact O-NE1 3.22Å; R166-W184 VanDerWaalsContact O-NE1 3.1Å; R166-E205 IonicContact CZ-OE1 3.69Å; R166-E205 IonicContact NH1-OE1 2.79Å; R166-E205 PolarHBondContact NH1-OE1 2.82Å
167A96.3Very high81Confident1 Ų142.3 Ų42.31%0.00822%0.224CC..  trans-69.8153.2173.100000112.4E169 V170 L171 I181 W184A167-E169 VanDerWaalsContact C-N 3.29Å; A167-E169 WeakPolarHBondContact CB-OE1 3.22Å; A167-E169 VanDerWaalsContact CB-OE2 3.29Å; A167-E169 WeakPolarHBondContact CB-OE2 3.44Å; A167-E169 PolarHBondContact O-N 2.82Å; A167-V170 HydrophobicContact CB-CG2 4.41Å; A167-V170 WeakPolarHBondContact O-CB 3.3Å; A167-V170 PolarHBondContact O-N 2.92Å; A167-L171 PolarHBondContact O-N 3.44Å; A167-I181 HydrophobicContact CB-CB 4.14Å; A167-I181 HydrophobicContact CB-CG2 4.11Å; A167-W184 VanDerWaalsContact CA-CD1 3.45Å; A167-W184 HydrophobicContact CB-CB 3.76Å; A167-W184 HydrophobicContact CB-CD2 4.29Å; A167-W184 HydrophobicContact CB-CG 3.71Å
168P96.1Very high82.9Confident1 Ų141.6 Ų41.61%0.00622%0.217CC..Hα-helixtrans-51.8-41.6-179.4-30.737.4000114.4V170 L171 L172 W184 W224 W267P168-V170 VanDerWaalsContact C-N 3.26Å; P168-V170 PolarHBondContact O-N 3.34Å; P168-L171 PolarHBondContact O-N 3.24Å; P168-L172 WeakPolarHBondContact O-CB 3.35Å; P168-L172 WeakPolarHBondContact O-CG 3.27Å; P168-L172 PolarHBondContact O-N 3.43Å; P168-W184 HydrophobicContact CG-CD2 4.49Å; P168-W184 HydrophobicContact CG-CE3 4.19Å; P168-W184 HydrophobicContact CG-CH2 3.51Å; P168-W184 HydrophobicContact CG-CZ2 3.87Å; P168-W184 HydrophobicContact CG-CZ3 3.68Å; P168-W224 HydrophobicContact CB-CH2 3.55Å; P168-W224 HydrophobicContact CB-CZ3 3.65Å; P168-W267 HydrophobicContact CB-CE3 3.79Å; P168-W267 HydrophobicContact CB-CZ3 3.77Å; P168-W267 HydrophobicContact CG-CE3 3.66Å; P168-W267 HydrophobicContact CG-CZ3 3.74Å
169E95.6Very high85.3Confident7 Ų735.6 Ų35.63%0.03319%0.188CC..Hα-helixtrans-65.7-26.3178.267.2-83.8-160.400113.3A167 R173 S174 I181 W224 L230 P269 R272A167-E169 VanDerWaalsContact C-N 3.29Å; A167-E169 WeakPolarHBondContact CB-OE1 3.22Å; A167-E169 VanDerWaalsContact CB-OE2 3.29Å; A167-E169 WeakPolarHBondContact CB-OE2 3.44Å; A167-E169 PolarHBondContact O-N 2.82Å; E169-R173 PolarHBondContact O-N 3.41Å; E169-S174 WeakPolarHBondContact O-CB 3.4Å; E169-S174 PolarHBondContact O-N 3.2Å; E169-I181 HydrophobicContact CG-CG2 4.37Å; E169-I181 WeakPolarHBondContact OE1-CG2 3.35Å; E169-W224 HydrophobicContact CB-CH2 4.4Å; E169-W224 HydrophobicContact CB-CZ2 3.96Å; E169-L230 HydrophobicContact CB-CD1 4.48Å; E169-P269 HydrophobicContact CG-CG 4.39Å; E169-P269 WeakPolarHBondContact OE1-CB 3.25Å; E169-R272 IonicContact OE1-CZ 3.51Å; E169-R272 IonicContact OE1-NH1 2.82Å; E169-R272 PolarHBondContact OE1-NH1 2.73Å; E169-R272 IonicContact OE1-NH2 2.64Å; E169-R272 PolarHBondContact OE1-NH2 2.75Å; E169-R272 IonicContact OE2-CZ 2.67Å; E169-R272 IonicContact OE2-NH1 3.27Å; E169-R272 PolarHBondContact OE2-NH1 3.36Å; E169-R272 IonicContact OE2-NH2 3.04Å; E169-R272 PolarHBondContact OE2-NH2 2.96Å
170V93.6Very high87.6Confident9 Ų935.6 Ų35.66%0.05519%0.191CC..Hα-helixtrans-82.4-36.9175.1-176.60000110.5Y159 A167 P168 L172 R173 Y177 I181Y159-V170 HydrophobicContact CD2-CG1 3.84Å; Y159-V170 HydrophobicContact CE2-CG1 4.22Å; Y159-V170 HydrophobicContact CG-CG1 4.17Å; A167-V170 HydrophobicContact CB-CG2 4.41Å; A167-V170 WeakPolarHBondContact O-CB 3.3Å; A167-V170 PolarHBondContact O-N 2.92Å; P168-V170 VanDerWaalsContact C-N 3.26Å; P168-V170 PolarHBondContact O-N 3.34Å; V170-L172 VanDerWaalsContact C-N 3.33Å; V170-R173 PolarHBondContact O-N 2.83Å; V170-R173 VanDerWaalsContact O-N 3.13Å; V170-Y177 HydrophobicContact CG2-CD1 4.21Å; V170-Y177 HydrophobicContact CG2-CE1 4.44Å; V170-Y177 HydrophobicContact CG2-CG 4.26Å; V170-I181 HydrophobicContact CG2-CB 4.29Å; V170-I181 HydrophobicContact CG2-CG2 3.61Å
171L93.8Very high89.8Confident0 Ų030.8 Ų30.80%016%0.162CC..Hα-helixtrans-67.4-34.3173.3-68.5165000112R166 A167 P168 R173 E205 T208 I209 I212R166-L171 HydrophobicContact CB-CD1 4.35Å; R166-L171 HydrophobicContact CB-CD2 3.98Å; R166-L171 HydrophobicContact CB-CG 3.85Å; A167-L171 PolarHBondContact O-N 3.44Å; P168-L171 PolarHBondContact O-N 3.24Å; L171-R173 PolarHBondContact O-N 2.79Å; L171-E205 HydrophobicContact CD2-CB 4.25Å; L171-T208 HydrophobicContact CD1-CG2 3.65Å; L171-T208 HydrophobicContact CD2-CG2 4.19Å; L171-I209 HydrophobicContact CB-CD1 3.92Å; L171-I209 HydrophobicContact CB-CG1 3.71Å; L171-I209 HydrophobicContact CD1-CG1 4.05Å; L171-I209 HydrophobicContact CG-CG1 4.44Å; L171-I212 HydrophobicContact CD1-CD1 3.62Å
172L93.8Very high91.7Very high2 Ų229.8 Ų29.81%0.0116%0.155CC..THydrogen-bonded Turntrans-85.418.5170.2-63.4179.7000113.5P168 V170 S174 I209 W224 G227 L230 A231 M234 F236 W238P168-L172 WeakPolarHBondContact O-CB 3.35Å; P168-L172 WeakPolarHBondContact O-CG 3.27Å; P168-L172 PolarHBondContact O-N 3.43Å; V170-L172 VanDerWaalsContact C-N 3.33Å; L172-S174 VanDerWaalsContact C-N 3.28Å; L172-S174 PolarHBondContact O-N 3.13Å; L172-S174 VanDerWaalsContact O-N 3.14Å; L172-I209 HydrophobicContact CD2-CD1 3.62Å; L172-I209 HydrophobicContact CG-CD1 4.19Å; L172-W224 HydrophobicContact CD1-CH2 3.8Å; L172-W224 HydrophobicContact CD1-CZ3 4.04Å; L172-G227 WeakPolarHBondContact CD1-O 3.42Å; L172-L230 HydrophobicContact CB-CB 3.81Å; L172-L230 HydrophobicContact CB-CD1 4.37Å; L172-L230 HydrophobicContact CD1-CB 4.25Å; L172-A231 HydrophobicContact CD1-CB 4.32Å; L172-A231 HydrophobicContact CD2-CB 4.3Å; L172-M234 VanDerWaalsContact CA-SD 3.55Å; L172-M234 HydrophobicContact CB-SD 4.44Å; L172-M234 HydrophobicContact CD2-SD 4.43Å; L172-F236 HydrophobicContact CD2-CD1 4.03Å; L172-F236 HydrophobicContact CD2-CG 4.49Å; L172-W238 HydrophobicContact CD1-CH2 3.88Å; L172-W238 HydrophobicContact CD1-CZ2 3.79Å
173R90.4Very high93Very high157 Ų15729.7 Ų29.759%0.59215%0.154SC*.THydrogen-bonded Turntrans54.235.5168.4-56.4-179.7-178.9-177.9-0.9115.2E169 V170 L171 T175 E205 M234E169-R173 PolarHBondContact O-N 3.41Å; V170-R173 PolarHBondContact O-N 2.83Å; V170-R173 VanDerWaalsContact O-N 3.13Å; L171-R173 PolarHBondContact O-N 2.79Å; R173-T175 PolarHBondContact O-N 3.23Å; R173-E205 IonicContact CZ-OE2 2.63Å; R173-E205 IonicContact NE-OE2 2.71Å; R173-E205 PolarHBondContact NE-OE2 3.21Å; R173-E205 IonicContact NH2-OE2 3.3Å; R173-E205 PolarHBondContact NH2-OE2 3.29Å; R173-M234 HydrophobicContact CB-SD 3.88Å; R173-M234 HydrophobicContact CG-CE 4.03Å; R173-M234 HydrophobicContact CG-SD 3.68Å
174S90.6Very high93.5Very high19 Ų1926.6 Ų26.613%0.13314%0.142CC..  trans-55.5132.5171.9-1750000110.9E169 L172 S176 Y177E169-S174 WeakPolarHBondContact O-CB 3.4Å; E169-S174 PolarHBondContact O-N 3.2Å; L172-S174 VanDerWaalsContact C-N 3.28Å; L172-S174 PolarHBondContact O-N 3.13Å; L172-S174 VanDerWaalsContact O-N 3.14Å; S174-S176 PolarHBondContact OG-N 3.31Å; S174-S176 VanDerWaalsContact OG-N 3.09Å; S174-S176 PolarHBondContact OG-O 3.44Å; S174-Y177 WeakPolarHBondContact O-CD1 3.41Å; S174-Y177 WeakPolarHBondContact O-CE1 3.41Å
175T84.3Confident93.7Very high102 Ų10226.3 Ų26.363%0.62614%0.142SC*.SBendtrans-77.2-14.4170.154.90000112.2P154 Y156 R173P154-T175 WeakPolarHBondContact CB-O 3.43Å; Y156-T175 VanDerWaalsContact CD2-O 3.28Å; Y156-T175 WeakPolarHBondContact CD2-O 3.46Å; R173-T175 PolarHBondContact O-N 3.23Å
176S84.6Confident93.8Very high86 Ų8626 Ų2660%0.60114%0.141SC*.  trans-121.6106.6178.8-167.50000110.6S174S174-S176 PolarHBondContact OG-N 3.31Å; S174-S176 VanDerWaalsContact OG-N 3.09Å; S174-S176 PolarHBondContact OG-O 3.44Å
177Y87.3Confident94Very high23 Ų2325.1 Ų25.19%0.0914%0.138CC..  trans-147166.8171.656.8-106.2000109.7F122 R124 Y156 V170 S174 I181F122-Y177 AromaticContact CE2-CD2 3.91Å; F122-Y177 HydrophobicContact CE2-CD2 3.91Å; F122-Y177 HydrophobicContact CE2-CE2 4.03Å; F122-Y177 HydrophobicContact CZ-CD2 4.42Å; F122-Y177 HydrophobicContact CZ-CE2 4.48Å; R124-Y177 PolarHBondContact NH2-OH 2.81Å; Y156-Y177 VanDerWaalsContact CB-OH 3.26Å; Y156-Y177 WeakPolarHBondContact CB-OH 3.36Å; Y156-Y177 HydrophobicContact CD1-CE2 4.37Å; Y156-Y177 HydrophobicContact CD2-CD1 4.02Å; Y156-Y177 HydrophobicContact CD2-CD2 4.12Å; Y156-Y177 AromaticContact CD2-CE1 3.78Å; Y156-Y177 HydrophobicContact CD2-CE1 3.78Å; Y156-Y177 AromaticContact CD2-CE2 3.88Å; Y156-Y177 HydrophobicContact CD2-CE2 3.88Å; Y156-Y177 HydrophobicContact CD2-CG 4.21Å; Y156-Y177 AromaticContact CD2-CZ 3.73Å; Y156-Y177 HydrophobicContact CE2-CD2 4.17Å; Y156-Y177 HydrophobicContact CE2-CE2 4.31Å; Y156-Y177 HydrophobicContact CE2-CG 4.29Å; Y156-Y177 VanDerWaalsContact CE2-O 3.25Å; Y156-Y177 WeakPolarHBondContact CE2-O 3.43Å; Y156-Y177 HydrophobicContact CG-CE1 4.15Å; Y156-Y177 AromaticContact CG-CE2 3.92Å; Y156-Y177 HydrophobicContact CG-CE2 3.92Å; Y156-Y177 AromaticContact CG-CZ 3.7Å; Y156-Y177 PolarHBondContact OH-O 3.22Å; V170-Y177 HydrophobicContact CG2-CD1 4.21Å; V170-Y177 HydrophobicContact CG2-CE1 4.44Å; V170-Y177 HydrophobicContact CG2-CG 4.26Å; S174-Y177 WeakPolarHBondContact O-CD1 3.41Å; S174-Y177 WeakPolarHBondContact O-CE1 3.41Å; Y177-I181 HydrophobicContact CD2-CD1 3.76Å; Y177-I181 HydrophobicContact CD2-CG2 4.3Å; Y177-I181 HydrophobicContact CE2-CD1 3.93Å; Y177-I181 HydrophobicContact CG-CG2 4.39Å
178N90.6Very high94.1Very high47 Ų4725.1 Ų25.125%0.25114%0.138SC..  trans-153.5-160.1-174.8-142.8-44.8000110.9I150 P180 I181I150-N178 WeakPolarHBondContact CG1-OD1 3.48Å; I150-N178 WeakPolarHBondContact CG2-OD1 3.32Å; I150-N178 PolarHBondContact O-ND2 2.87Å; N178-P180 VanDerWaalsContact C-N 3.3Å; N178-P180 WeakPolarHBondContact O-CD 3.4Å; N178-I181 WeakPolarHBondContact O-CG1 3.43Å; N178-I181 PolarHBondContact O-N 3.44Å
179S94Very high94.2Very high28 Ų2825.1 Ų25.120%0.19614%0.138CC..THydrogen-bonded Turntrans-48-24.9179.654.10000118.6I181 D182S179-I181 PolarHBondContact O-N 3.45Å; S179-I181 VanDerWaalsContact O-N 3.12Å; S179-D182 PolarHBondContact O-N 3.38Å
180P96.9Very high94.3Very high32 Ų3224.8 Ų24.821%0.20814%0.136CC..Hα-helixtrans-61-15.5173.7-28.338.1000115.9N178 D182 Q183 W184 P269 R272N178-P180 VanDerWaalsContact C-N 3.3Å; N178-P180 WeakPolarHBondContact O-CD 3.4Å; P180-D182 VanDerWaalsContact C-N 3.32Å; P180-Q183 PolarHBondContact O-N 2.93Å; P180-W184 PolarHBondContact O-N 3.05Å; P180-P269 HydrophobicContact CB-CB 3.67Å; P180-P269 WeakPolarHBondContact CB-O 3.28Å; P180-P269 HydrophobicContact CG-CB 4.32Å; P180-R272 WeakPolarHBondContact O-CD 3.46Å; P180-R272 PolarHBondContact O-NH1 2.89Å
181I96.3Very high94.6Very high6 Ų624.4 Ų24.43%0.03113%0.134CC..Hα-helixtrans-69.5-31.8172.672.9-174.4000112F122 R124 A167 E169 V170 Y177 N178 S179 Q183 A185F122-I181 HydrophobicContact CD2-CD1 3.91Å; F122-I181 HydrophobicContact CD2-CG1 4.37Å; F122-I181 HydrophobicContact CE2-CD1 3.88Å; R124-I181 HydrophobicContact CB-CD1 4.22Å; R124-I181 HydrophobicContact CG-CD1 3.98Å; A167-I181 HydrophobicContact CB-CB 4.14Å; A167-I181 HydrophobicContact CB-CG2 4.11Å; E169-I181 HydrophobicContact CG-CG2 4.37Å; E169-I181 WeakPolarHBondContact OE1-CG2 3.35Å; V170-I181 HydrophobicContact CG2-CB 4.29Å; V170-I181 HydrophobicContact CG2-CG2 3.61Å; Y177-I181 HydrophobicContact CD2-CD1 3.76Å; Y177-I181 HydrophobicContact CD2-CG2 4.3Å; Y177-I181 HydrophobicContact CE2-CD1 3.93Å; Y177-I181 HydrophobicContact CG-CG2 4.39Å; N178-I181 WeakPolarHBondContact O-CG1 3.43Å; N178-I181 PolarHBondContact O-N 3.44Å; S179-I181 PolarHBondContact O-N 3.45Å; S179-I181 VanDerWaalsContact O-N 3.12Å; I181-Q183 VanDerWaalsContact C-N 3.31Å; I181-A185 PolarHBondContact O-N 3.08Å
182D97.5Very high94.7Very high1 Ų124.5 Ų24.51%0.00513%0.134CC..Hα-helixtrans-70.3-34.1178.3-63.5-23.4000109.6L113 H117 H123 R124 M126 S179 P180 A185 V186L113-D182 HydrophobicContact CD1-CB 4.09Å; L113-D182 HydrophobicContact CD2-CB 4.07Å; H117-D182 IonicContact CD2-OD2 2.77Å; H117-D182 IonicContact CE1-OD2 2.71Å; H117-D182 IonicContact NE2-OD2 2.61Å; H117-D182 PolarHBondContact NE2-OD2 3.17Å; H123-D182 PolarHBondContact N-OD1 3.4Å; H123-D182 PolarHBondContact N-OD2 3.21Å; R124-D182 PolarHBondContact N-OD1 3.36Å; M126-D182 HydrophobicContact CG-CB 4.04Å; S179-D182 PolarHBondContact O-N 3.38Å; P180-D182 VanDerWaalsContact C-N 3.32Å; D182-A185 PolarHBondContact O-N 3.5Å; D182-V186 VanDerWaalsContact O-CG2 3.24Å; D182-V186 WeakPolarHBondContact O-CG2 3.32Å; D182-V186 PolarHBondContact O-N 2.97Å
183Q98.4Very high94.9Very high3 Ų324.4 Ų24.41%0.01413%0.134CC..Hα-helixtrans-64.5-44.1177.2-50.6-55.9-19.600112H117 P180 I181 A185 V186 G187 L264 R272 P273 S275H117-Q183 PolarHBondContact CE1-NE2 3.2Å; P180-Q183 PolarHBondContact O-N 2.93Å; I181-Q183 VanDerWaalsContact C-N 3.31Å; Q183-A185 PolarHBondContact O-N 3.46Å; Q183-V186 WeakPolarHBondContact O-CB 3.42Å; Q183-V186 PolarHBondContact O-N 2.8Å; Q183-G187 PolarHBondContact O-N 3.01Å; Q183-L264 HydrophobicContact CB-CD2 3.91Å; Q183-R272 HydrophobicContact CB-CB 4.27Å; Q183-P273 WeakPolarHBondContact CG-O 3.25Å; Q183-S275 VanDerWaalsContact NE2-N 3.17Å; Q183-S275 PolarHBondContact NE2-OG 3.23Å
184W98.5Very high95.3Very high0 Ų017 Ų170%011%0.106CC..Hα-helixtrans-57.5-49.4174.5176.3-83.8000111.8R166 A167 P168 P180 V186 G187 C188 F200 I212 L216 L264 L265R166-W184 PolarHBondContact O-NE1 3.22Å; R166-W184 VanDerWaalsContact O-NE1 3.1Å; A167-W184 VanDerWaalsContact CA-CD1 3.45Å; A167-W184 HydrophobicContact CB-CB 3.76Å; A167-W184 HydrophobicContact CB-CD2 4.29Å; A167-W184 HydrophobicContact CB-CG 3.71Å; P168-W184 HydrophobicContact CG-CD2 4.49Å; P168-W184 HydrophobicContact CG-CE3 4.19Å; P168-W184 HydrophobicContact CG-CH2 3.51Å; P168-W184 HydrophobicContact CG-CZ2 3.87Å; P168-W184 HydrophobicContact CG-CZ3 3.68Å; P180-W184 PolarHBondContact O-N 3.05Å; W184-V186 VanDerWaalsContact C-N 3.27Å; W184-V186 PolarHBondContact O-N 3.3Å; W184-G187 WeakPolarHBondContact O-CA 3.1Å; W184-G187 PolarHBondContact O-N 2.82Å; W184-C188 PolarHBondContact NE1-SG 3.26Å; W184-C188 PolarHBondContact O-N 3.21Å; W184-C188 PolarHBondContact O-SG 3.48Å; W184-F200 HydrophobicContact CH2-CE2 4.41Å; W184-F200 HydrophobicContact CZ2-CD2 4.21Å; W184-F200 AromaticContact CZ2-CE2 3.58Å; W184-F200 HydrophobicContact CZ2-CE2 3.58Å; W184-F200 HydrophobicContact CZ2-CZ 4.21Å; W184-I212 HydrophobicContact CH2-CD1 4.48Å; W184-I212 HydrophobicContact CH2-CG2 3.57Å; W184-I212 HydrophobicContact CZ2-CD1 3.73Å; W184-I212 HydrophobicContact CZ2-CG1 3.97Å; W184-I212 HydrophobicContact CZ2-CG2 3.78Å; W184-L216 HydrophobicContact CH2-CD1 3.53Å; W184-L216 HydrophobicContact CZ3-CD1 4.03Å; W184-L264 WeakPolarHBondContact CA-O 3.47Å; W184-L265 HydrophobicContact CD2-CD2 3.92Å; W184-L265 HydrophobicContact CE3-CD2 4.07Å; W184-L265 HydrophobicContact CG-CD2 4.44Å; W184-L265 HydrophobicContact CH2-CD2 4.4Å; W184-L265 HydrophobicContact CZ2-CD2 4.24Å; W184-L265 HydrophobicContact CZ3-CB 4.36Å; W184-L265 HydrophobicContact CZ3-CD2 4.32Å; W184-L265 VanDerWaalsContact CZ3-O 3.22Å; W184-L265 WeakPolarHBondContact CZ3-O 3.4Å
185A98.1Very high95.5Very high4 Ų417.5 Ų17.53%0.03311%0.108CC..Hα-helixtrans-59.9-39178.200000111.9M126 Y165 I181 D182 Q183 C188 I189M126-A185 HydrophobicContact CB-CB 3.55Å; Y165-A185 WeakPolarHBondContact O-CB 3.24Å; I181-A185 PolarHBondContact O-N 3.08Å; D182-A185 PolarHBondContact O-N 3.5Å; Q183-A185 PolarHBondContact O-N 3.46Å; A185-C188 WeakPolarHBondContact O-CB 3.44Å; A185-C188 PolarHBondContact O-N 3Å; A185-I189 WeakPolarHBondContact O-CB 3.25Å; A185-I189 WeakPolarHBondContact O-CD1 3.19Å; A185-I189 VanDerWaalsContact O-CG1 3.24Å; A185-I189 WeakPolarHBondContact O-CG1 3.45Å; A185-I189 PolarHBondContact O-N 3.04Å
186V98.6Very high96.1Very high0 Ų014.3 Ų14.30%09%0.087CC..Hα-helixtrans-63.9-38.9173.6170.20000111.9M106 I109 L110 L113 M126 D182 Q183 W184 I189 M190 L264M106-V186 HydrophobicContact CE-CG1 3.31Å; I109-V186 HydrophobicContact CG2-CG2 3.77Å; L110-V186 HydrophobicContact CD2-CG1 3.99Å; L110-V186 HydrophobicContact CG-CG1 4.36Å; L113-V186 HydrophobicContact CD1-CG2 3.47Å; L113-V186 VanDerWaalsContact CD1-CG2 3.47Å; M126-V186 HydrophobicContact CE-CG2 4.32Å; D182-V186 VanDerWaalsContact O-CG2 3.24Å; D182-V186 WeakPolarHBondContact O-CG2 3.32Å; D182-V186 PolarHBondContact O-N 2.97Å; Q183-V186 WeakPolarHBondContact O-CB 3.42Å; Q183-V186 PolarHBondContact O-N 2.8Å; W184-V186 VanDerWaalsContact C-N 3.27Å; W184-V186 PolarHBondContact O-N 3.3Å; V186-I189 PolarHBondContact O-N 3.49Å; V186-M190 WeakPolarHBondContact O-CB 3.36Å; V186-M190 PolarHBondContact O-N 3.38Å; V186-L264 HydrophobicContact CG1-CD1 4.12Å
187G98.5Very high96.5Very high0 Ų016.5 Ų16.50%08%0.082CC..Hα-helixtrans-59.8-44.7170.600000112.9Q183 W184 M190 A191Q183-G187 PolarHBondContact O-N 3.01Å; W184-G187 WeakPolarHBondContact O-CA 3.1Å; W184-G187 PolarHBondContact O-N 2.82Å; G187-M190 WeakPolarHBondContact O-CB 3.42Å; G187-M190 PolarHBondContact O-N 2.69Å; G187-A191 PolarHBondContact O-N 3.48Å
188C98.4Very high96.9Very high1 Ų116.3 Ų16.31%0.0078%0.084CC..Hα-helixtrans-61.5-44.8174.2-63.40000112.5Y165 W184 A185 M190 A191 E192 F200Y165-C188 HydrophobicContact CD1-CB 3.81Å; Y165-C188 HydrophobicContact CE1-CB 4.45Å; W184-C188 PolarHBondContact NE1-SG 3.26Å; W184-C188 PolarHBondContact O-N 3.21Å; W184-C188 PolarHBondContact O-SG 3.48Å; A185-C188 WeakPolarHBondContact O-CB 3.44Å; A185-C188 PolarHBondContact O-N 3Å; C188-M190 VanDerWaalsContact C-N 3.32Å; C188-M190 PolarHBondContact O-N 3.26Å; C188-A191 PolarHBondContact O-N 2.75Å; C188-E192 PolarHBondContact O-N 3.02Å; C188-E192 VanDerWaalsContact O-N 3.08Å; C188-F200 VanDerWaalsContact SG-CD2 3.53Å; C188-F200 VanDerWaalsContact SG-CE2 3.55Å
189I98.5Very high97.1Very high1 Ų115.4 Ų15.41%0.0058%0.079CC..Hα-helixtrans-64.3-37.4178-70158.2000110.8I109 M126 P128 L131 Y165 A185 V186 E192 L193I109-I189 HydrophobicContact CD1-CG2 4.41Å; M126-I189 HydrophobicContact CB-CD1 4.45Å; P128-I189 HydrophobicContact CG-CG1 4.18Å; L131-I189 HydrophobicContact CD1-CD1 3.91Å; L131-I189 HydrophobicContact CD1-CG2 4.21Å; Y165-I189 HydrophobicContact CD1-CG1 4.01Å; Y165-I189 HydrophobicContact CE1-CG1 4.14Å; A185-I189 WeakPolarHBondContact O-CB 3.25Å; A185-I189 WeakPolarHBondContact O-CD1 3.19Å; A185-I189 VanDerWaalsContact O-CG1 3.24Å; A185-I189 WeakPolarHBondContact O-CG1 3.45Å; A185-I189 PolarHBondContact O-N 3.04Å; V186-I189 PolarHBondContact O-N 3.49Å; I189-E192 PolarHBondContact O-N 2.81Å; I189-L193 HydrophobicContact CG2-CD1 3.93Å; I189-L193 HydrophobicContact CG2-CG 4.37Å; I189-L193 WeakPolarHBondContact O-CG 3.49Å; I189-L193 PolarHBondContact O-N 3.26Å
190M98.6Very high97.3Very high0 Ų014.1 Ų14.10%07%0.07CC..Hα-helixtrans-60.6-48.2176.1-166170.6169.600111.5M106 V186 G187 C188 E192 L193 Y194 A257 L260 M261 L264 Y283M106-M190 HydrophobicContact CE-CB 3.58Å; M106-M190 HydrophobicContact CE-CG 3.82Å; M106-M190 HydrophobicContact CE-SD 3.88Å; M106-M190 HydrophobicContact CG-CG 4.03Å; M106-M190 HydrophobicContact CG-SD 4.49Å; M106-M190 HydrophobicContact SD-CB 3.75Å; M106-M190 HydrophobicContact SD-CG 3.93Å; V186-M190 WeakPolarHBondContact O-CB 3.36Å; V186-M190 PolarHBondContact O-N 3.38Å; G187-M190 WeakPolarHBondContact O-CB 3.42Å; G187-M190 PolarHBondContact O-N 2.69Å; C188-M190 VanDerWaalsContact C-N 3.32Å; C188-M190 PolarHBondContact O-N 3.26Å; M190-E192 VanDerWaalsContact C-N 3.32Å; M190-E192 PolarHBondContact O-N 3.26Å; M190-L193 PolarHBondContact O-N 3.17Å; M190-Y194 HydrophobicContact CE-CE2 3.97Å; M190-Y194 HydrophobicContact CG-CD2 4.39Å; M190-Y194 HydrophobicContact CG-CE2 4.1Å; M190-Y194 VanDerWaalsContact O-CD2 3.25Å; M190-Y194 WeakPolarHBondContact O-CD2 3.33Å; M190-Y194 PolarHBondContact O-N 2.89Å; M190-A257 HydrophobicContact CE-CB 3.79Å; M190-A257 VanDerWaalsContact CE-O 3.3Å; M190-A257 WeakPolarHBondContact CE-O 3.33Å; M190-L260 HydrophobicContact CE-CB 4.46Å; M190-L260 HydrophobicContact CE-CD2 4.17Å; M190-L260 HydrophobicContact CE-CG 4.49Å; M190-L260 HydrophobicContact SD-CD2 4.18Å; M190-L260 HydrophobicContact SD-CG 4.26Å; M190-M261 HydrophobicContact CB-CE 4.27Å; M190-M261 HydrophobicContact CG-CE 3.92Å; M190-M261 HydrophobicContact SD-CB 4.19Å; M190-M261 HydrophobicContact SD-CE 4.49Å; M190-L264 HydrophobicContact SD-CD1 4.49Å; M190-Y283 HydrophobicContact CE-CD1 4.24Å; M190-Y283 HydrophobicContact CE-CE1 3.72Å; M190-Y283 HydrophobicContact CE-CE2 4.34Å
191A98.1Very high97.2Very high1 Ų114.9 Ų14.91%0.0088%0.075CC..Hα-helixtrans-62.3-39176.900000112.3G187 C188 Y194 T195 L199 V250 M261G187-A191 PolarHBondContact O-N 3.48Å; C188-A191 PolarHBondContact O-N 2.75Å; A191-Y194 PolarHBondContact O-N 3.33Å; A191-T195 WeakPolarHBondContact O-CB 3.42Å; A191-T195 WeakPolarHBondContact O-CG2 3.26Å; A191-T195 PolarHBondContact O-N 3.04Å; A191-T195 VanDerWaalsContact O-N 3.15Å; A191-T195 PolarHBondContact O-OG1 2.94Å; A191-L199 HydrophobicContact CB-CB 4.12Å; A191-L199 HydrophobicContact CB-CD1 4.19Å; A191-L199 HydrophobicContact CB-CD2 3.83Å; A191-L199 HydrophobicContact CB-CG 4.27Å; A191-V250 HydrophobicContact CB-CG2 4.43Å; A191-M261 HydrophobicContact CB-CE 4.03Å; A191-M261 HydrophobicContact CB-SD 3.8Å
192E97.4Very high97Very high1 Ų114.7 Ų14.71%0.0057%0.074CC..Hα-helixtrans-66.9-39.9177.2-171.9172.8166.100112.4M90 Y165 C188 I189 M190 Y194 T195 L196 R197 Y635M90-E192 HydrophobicContact CE-CG 3.78Å; M90-E192 WeakPolarHBondContact CE-OE1 3.4Å; M90-E192 HydrophobicContact SD-CG 3.89Å; Y165-E192 VanDerWaalsContact CE1-OE2 3.23Å; Y165-E192 WeakPolarHBondContact CE1-OE2 3.43Å; Y165-E192 VanDerWaalsContact CZ-OE2 3.32Å; Y165-E192 PolarHBondContact OH-OE2 3.5Å; C188-E192 PolarHBondContact O-N 3.02Å; C188-E192 VanDerWaalsContact O-N 3.08Å; I189-E192 PolarHBondContact O-N 2.81Å; M190-E192 VanDerWaalsContact C-N 3.32Å; M190-E192 PolarHBondContact O-N 3.26Å; E192-Y194 VanDerWaalsContact C-N 3.3Å; E192-Y194 PolarHBondContact O-N 3.41Å; E192-T195 PolarHBondContact O-N 2.77Å; E192-L196 VanDerWaalsContact O-CA 3.26Å; E192-L196 WeakPolarHBondContact O-CA 3.36Å; E192-L196 PolarHBondContact O-N 3.15Å; E192-R197 WeakPolarHBondContact CA-O 3.47Å; E192-Y635 PolarHBondContact OE1-OH 3.42Å
193L97.8Very high96.7Very high0 Ų018.1 Ų18.10%010%0.098CC..Hα-helixtrans-61.8-34.5175.7-76.1164.1000113.2M90 F97 V102 I105 M106 I189 M190M90-L193 HydrophobicContact CG-CD2 4.33Å; M90-L193 HydrophobicContact SD-CD2 3.83Å; M90-L193 HydrophobicContact SD-CG 4.22Å; F97-L193 WeakPolarHBondContact CD2-O 3.28Å; F97-L193 HydrophobicContact CE2-CD2 4.48Å; V102-L193 HydrophobicContact CG1-CB 3.88Å; V102-L193 HydrophobicContact CG1-CD1 4.38Å; V102-L193 HydrophobicContact CG2-CB 4.33Å; I105-L193 HydrophobicContact CB-CD1 4.4Å; I105-L193 HydrophobicContact CD1-CD2 4.08Å; I105-L193 HydrophobicContact CG2-CD1 3.58Å; I105-L193 HydrophobicContact CG2-CD2 4.33Å; M106-L193 HydrophobicContact CG-CD1 4.37Å; M106-L193 HydrophobicContact SD-CD1 3.82Å; I189-L193 HydrophobicContact CG2-CD1 3.93Å; I189-L193 HydrophobicContact CG2-CG 4.37Å; I189-L193 WeakPolarHBondContact O-CG 3.49Å; I189-L193 PolarHBondContact O-N 3.26Å; M190-L193 PolarHBondContact O-N 3.17Å
194Y97.8Very high96.4Very high1 Ų120.3 Ų20.30%0.00411%0.114CC..Hα-helixtrans-75.4-34.9175-81.3-74.3000113.5E99 V102 M190 A191 E192 V250 N252 A253 A257 M261 Y283E99-Y194 HydrophobicContact CB-CE1 4.31Å; E99-Y194 HydrophobicContact CG-CE1 4.19Å; E99-Y194 WeakPolarHBondContact CG-OH 3.23Å; V102-Y194 HydrophobicContact CB-CE1 4.43Å; V102-Y194 HydrophobicContact CB-CE2 4.47Å; V102-Y194 HydrophobicContact CG1-CD2 4.02Å; V102-Y194 HydrophobicContact CG1-CE1 4.45Å; V102-Y194 HydrophobicContact CG1-CE2 3.67Å; V102-Y194 HydrophobicContact CG2-CD1 4.33Å; V102-Y194 HydrophobicContact CG2-CE1 4.31Å; M190-Y194 HydrophobicContact CE-CE2 3.97Å; M190-Y194 HydrophobicContact CG-CD2 4.39Å; M190-Y194 HydrophobicContact CG-CE2 4.1Å; M190-Y194 VanDerWaalsContact O-CD2 3.25Å; M190-Y194 WeakPolarHBondContact O-CD2 3.33Å; M190-Y194 PolarHBondContact O-N 2.89Å; A191-Y194 PolarHBondContact O-N 3.33Å; E192-Y194 VanDerWaalsContact C-N 3.3Å; E192-Y194 PolarHBondContact O-N 3.41Å; Y194-V250 HydrophobicContact CD1-CG1 4.34Å; Y194-V250 HydrophobicContact CD2-CG1 3.97Å; Y194-V250 HydrophobicContact CG-CG1 3.65Å; Y194-N252 PolarHBondContact O-ND2 3.02Å; Y194-A253 HydrophobicContact CD1-CB 3.89Å; Y194-A253 HydrophobicContact CD2-CB 4.05Å; Y194-A253 HydrophobicContact CE1-CB 3.65Å; Y194-A253 HydrophobicContact CE2-CB 3.85Å; Y194-A253 HydrophobicContact CG-CB 4.09Å; Y194-A257 HydrophobicContact CE2-CB 4.21Å; Y194-A257 WeakPolarHBondContact OH-CB 3.09Å; Y194-M261 HydrophobicContact CD2-CE 3.93Å; Y194-M261 HydrophobicContact CE2-CE 4.27Å; Y194-Y283 VanDerWaalsContact OH-CE2 3.3Å; Y194-Y283 WeakPolarHBondContact OH-CE2 3.39Å; Y194-Y283 PolarHBondContact OH-OH 2.85Å
195T95.9Very high96Very high30 Ų3022.6 Ų22.618%0.18412%0.124CC..Hα-helixtrans-107.4-12.7-167.560.10000114.7A191 E192 R197 V250A191-T195 WeakPolarHBondContact O-CB 3.42Å; A191-T195 WeakPolarHBondContact O-CG2 3.26Å; A191-T195 PolarHBondContact O-N 3.04Å; A191-T195 VanDerWaalsContact O-N 3.15Å; A191-T195 PolarHBondContact O-OG1 2.94Å; E192-T195 PolarHBondContact O-N 2.77Å; T195-R197 PolarHBondContact O-N 3.5Å; T195-R197 PolarHBondContact OG1-N 2.59Å; T195-R197 PolarHBondContact OG1-O 3.49Å; T195-R197 VanDerWaalsContact OG1-O 3.04Å; T195-V250 HydrophobicContact CG2-CG1 4.22Å; T195-V250 HydrophobicContact CG2-CG2 4.14Å
196L95.6Very high95.8Very high35 Ų3526.3 Ų26.318%0.18315%0.147CC..SBendtrans53.722.8-166.6-55.1179.3000114M90 R93 L96 F97 E192M90-L196 HydrophobicContact CB-CD2 3.96Å; M90-L196 HydrophobicContact CG-CD2 3.92Å; R93-L196 HydrophobicContact CB-CD1 3.88Å; L96-L196 HydrophobicContact CD2-CB 4.45Å; L96-L196 HydrophobicContact CD2-CD1 3.93Å; L96-L196 HydrophobicContact CD2-CG 3.82Å; F97-L196 HydrophobicContact CD2-CD2 3.95Å; F97-L196 HydrophobicContact CE2-CD2 3.75Å; E192-L196 VanDerWaalsContact O-CA 3.26Å; E192-L196 WeakPolarHBondContact O-CA 3.36Å; E192-L196 PolarHBondContact O-N 3.15Å
197R93.4Very high95.5Very high132 Ų13227.5 Ų27.550%0.49815%0.153SC..SBendtrans-135.3138.9177-65.4-172-176.686.7-14110.7E192 T195 R638E192-R197 WeakPolarHBondContact CA-O 3.47Å; T195-R197 PolarHBondContact O-N 3.5Å; T195-R197 PolarHBondContact OG1-N 2.59Å; T195-R197 PolarHBondContact OG1-O 3.49Å; T195-R197 VanDerWaalsContact OG1-O 3.04Å; R197-R638 PolarHBondContact NE-O 2.63Å; R197-R638 PolarHBondContact NH2-O 2.69Å; R197-R638 PolarHBondContact NH2-OXT 2.87Å
198P95.2Very high95.4Very high19 Ų1927.5 Ų27.512%0.12315%0.153CC..  trans-63.1137.3178.428.4-38.2000110.8W164 P201 Y635W164-P198 HydrophobicContact CE3-CB 3.61Å; W164-P198 HydrophobicContact CE3-CG 3.92Å; W164-P198 HydrophobicContact CH2-CG 4.3Å; W164-P198 HydrophobicContact CZ3-CB 3.78Å; W164-P198 HydrophobicContact CZ3-CG 3.56Å; P198-P201 HydrophobicContact CB-CB 4.44Å; P198-P201 HydrophobicContact CG-CB 3.9Å; P198-P201 HydrophobicContact CG-CG 4.32Å; P198-P201 WeakPolarHBondContact O-CD 3.4Å; P198-Y635 HydrophobicContact CG-CD1 4.26Å; P198-Y635 HydrophobicContact CG-CE1 4.27Å
199L96.2Very high95.3Very high29 Ų2927.6 Ų27.615%0.15215%0.153CC..SBendtrans-70.5-38.3-176.4-172.563000113.2A191 P201 L265A191-L199 HydrophobicContact CB-CB 4.12Å; A191-L199 HydrophobicContact CB-CD1 4.19Å; A191-L199 HydrophobicContact CB-CD2 3.83Å; A191-L199 HydrophobicContact CB-CG 4.27Å; L199-P201 VanDerWaalsContact C-CD 3.46Å; L199-P201 WeakPolarHBondContact O-CD 3.43Å; L199-L265 HydrophobicContact CD2-CD1 3.71Å
200F96.6Very high95.1Very high1 Ų131 Ų310%0.00417%0.168CC..  trans-125.664.8-176.3-52.6-53.2000113.5W164 W184 C188 G202 T208 I212 V215 L265W164-F200 WeakPolarHBondContact CA-O 3.31Å; W164-F200 WeakPolarHBondContact CB-O 3.25Å; W184-F200 HydrophobicContact CH2-CE2 4.41Å; W184-F200 HydrophobicContact CZ2-CD2 4.21Å; W184-F200 AromaticContact CZ2-CE2 3.58Å; W184-F200 HydrophobicContact CZ2-CE2 3.58Å; W184-F200 HydrophobicContact CZ2-CZ 4.21Å; C188-F200 VanDerWaalsContact SG-CD2 3.53Å; C188-F200 VanDerWaalsContact SG-CE2 3.55Å; F200-G202 VanDerWaalsContact C-N 3.29Å; F200-G202 PolarHBondContact O-N 3.4Å; F200-T208 HydrophobicContact CB-CG2 4.31Å; F200-I212 HydrophobicContact CB-CG1 4.19Å; F200-I212 HydrophobicContact CD1-CB 4.31Å; F200-I212 HydrophobicContact CD1-CG1 3.69Å; F200-I212 HydrophobicContact CD2-CD1 4.43Å; F200-I212 HydrophobicContact CD2-CG1 3.74Å; F200-I212 HydrophobicContact CE1-CB 4.21Å; F200-I212 HydrophobicContact CE1-CG1 3.92Å; F200-I212 HydrophobicContact CE1-CG2 4.46Å; F200-I212 HydrophobicContact CE2-CG1 3.96Å; F200-I212 HydrophobicContact CG-CG1 3.6Å; F200-I212 HydrophobicContact CZ-CB 4.46Å; F200-I212 HydrophobicContact CZ-CG1 4.05Å; F200-I212 HydrophobicContact CZ-CG2 4.3Å; F200-V215 HydrophobicContact CD1-CG2 4.48Å; F200-V215 HydrophobicContact CE1-CB 3.88Å; F200-V215 HydrophobicContact CE1-CG1 4.28Å; F200-V215 HydrophobicContact CE1-CG2 3.9Å; F200-L265 HydrophobicContact CE2-CD2 4.22Å
201P94.8Very high95Very high48 Ų4833.4 Ų33.431%0.31218%0.179SC..  trans-76.474.3-174.130.6-33.8000112.5W164 P198 L199 K211W164-P201 HydrophobicContact CD2-CB 4.27Å; W164-P201 HydrophobicContact CE3-CB 4.45Å; W164-P201 HydrophobicContact CH2-CB 4.11Å; W164-P201 HydrophobicContact CZ2-CB 3.94Å; W164-P201 HydrophobicContact CZ3-CB 4.36Å; P198-P201 HydrophobicContact CB-CB 4.44Å; P198-P201 HydrophobicContact CG-CB 3.9Å; P198-P201 HydrophobicContact CG-CG 4.32Å; P198-P201 WeakPolarHBondContact O-CD 3.4Å; L199-P201 VanDerWaalsContact C-CD 3.46Å; L199-P201 WeakPolarHBondContact O-CD 3.43Å; P201-K211 WeakPolarHBondContact O-CD 3.3Å; P201-K211 WeakPolarHBondContact O-CE 3.21Å; P201-K211 PolarHBondContact O-NZ 3Å
202G93.4Very high95Very high1 Ų133.4 Ų33.41%0.0118%0.178CC..  trans-84.9133.3-178.800000115.2R163 W164 F200 D207R163-G202 WeakPolarHBondContact CD-O 3.44Å; R163-G202 WeakPolarHBondContact CG-O 3.23Å; R163-G202 PolarHBondContact NH1-O 2.87Å; W164-G202 VanDerWaalsContact NE1-N 3.15Å; W164-G202 PolarHBondContact NE1-O 3.17Å; F200-G202 VanDerWaalsContact C-N 3.29Å; F200-G202 PolarHBondContact O-N 3.4Å; G202-D207 WeakPolarHBondContact CA-OD2 3.38Å
203S90.8Very high94.9Very high73 Ų7333.3 Ų33.351%0.5118%0.178SC..SBendtrans-74.8-28.6173.862.70000113.4R163 D207R163-S203 PolarHBondContact NH1-O 3.06Å; S203-D207 WeakPolarHBondContact CB-OD2 3.19Å; S203-D207 PolarHBondContact N-OD2 3.39Å; S203-D207 PolarHBondContact OG-OD2 2.92Å
204S91.8Very high94.8Very high50 Ų5037.9 Ų37.935%0.3520%0.199SC..SBendtrans-140171.8178.367.80000110.9R163 D207 T208R163-S204 VanDerWaalsContact CD-O 3.24Å; R163-S204 WeakPolarHBondContact CD-O 3.46Å; S204-D207 PolarHBondContact O-N 3.28Å; S204-D207 VanDerWaalsContact OG-CB 3.25Å; S204-D207 WeakPolarHBondContact OG-CB 3.45Å; S204-D207 PolarHBondContact OG-N 2.99Å; S204-D207 VanDerWaalsContact OG-N 3.1Å; S204-T208 PolarHBondContact O-N 3.07Å; S204-T208 PolarHBondContact O-OG1 3.4Å
205E90.7Very high94.7Very high48 Ų4838.6 Ų38.622%0.22420%0.204CC..Hα-helixtrans-61.7-45.7177.5-56.2-173.3134.800110.7R166 L171 R173 T208 I209R166-E205 IonicContact CZ-OE1 3.69Å; R166-E205 IonicContact NH1-OE1 2.79Å; R166-E205 PolarHBondContact NH1-OE1 2.82Å; L171-E205 HydrophobicContact CD2-CB 4.25Å; R173-E205 IonicContact CZ-OE2 2.63Å; R173-E205 IonicContact NE-OE2 2.71Å; R173-E205 PolarHBondContact NE-OE2 3.21Å; R173-E205 IonicContact NH2-OE2 3.3Å; R173-E205 PolarHBondContact NH2-OE2 3.29Å; E205-T208 WeakPolarHBondContact O-CB 3.34Å; E205-T208 PolarHBondContact O-N 2.9Å; E205-I209 WeakPolarHBondContact O-CG1 3.36Å; E205-I209 PolarHBondContact O-N 2.54Å
206V92.8Very high94.7Very high82 Ų8238.8 Ų38.850%0.49720%0.204SC..Hα-helixtrans-60.2-45.5175.11720000112.2T208 I209 F210 F236V206-T208 VanDerWaalsContact C-N 3.29Å; V206-T208 PolarHBondContact O-N 3.44Å; V206-I209 PolarHBondContact O-N 2.64Å; V206-F210 PolarHBondContact O-N 3.37Å; V206-F236 HydrophobicContact CG1-CE2 4.11Å
207D94Very high94.8Very high24 Ų2437.2 Ų37.213%0.12820%0.195CC..Hα-helixtrans-67.8-29.4177.4179.342.1000112.3G202 S203 S204 F210 K211G202-D207 WeakPolarHBondContact CA-OD2 3.38Å; S203-D207 WeakPolarHBondContact CB-OD2 3.19Å; S203-D207 PolarHBondContact N-OD2 3.39Å; S203-D207 PolarHBondContact OG-OD2 2.92Å; S204-D207 PolarHBondContact O-N 3.28Å; S204-D207 VanDerWaalsContact OG-CB 3.25Å; S204-D207 WeakPolarHBondContact OG-CB 3.45Å; S204-D207 PolarHBondContact OG-N 2.99Å; S204-D207 VanDerWaalsContact OG-N 3.1Å; D207-F210 PolarHBondContact O-N 3.12Å; D207-K211 WeakPolarHBondContact O-CD 3.46Å; D207-K211 VanDerWaalsContact O-CG 3.31Å; D207-K211 WeakPolarHBondContact O-CG 3.19Å; D207-K211 PolarHBondContact O-N 3.34Å; D207-K211 WeakPolarHBondContact OD1-CE 3.15Å; D207-K211 WeakPolarHBondContact OD2-CE 3.32Å
208T95.6Very high94.9Very high0 Ų032.2 Ų32.20%018%0.179CC..Hα-helixtrans-67.1-48171.5-47.80000110.5R163 L171 F200 S204 E205 V206 F210 K211 I212R163-T208 VanDerWaalsContact CD-OG1 3.31Å; R163-T208 WeakPolarHBondContact CD-OG1 3.32Å; R163-T208 WeakPolarHBondContact CG-OG1 3.39Å; L171-T208 HydrophobicContact CD1-CG2 3.65Å; L171-T208 HydrophobicContact CD2-CG2 4.19Å; F200-T208 HydrophobicContact CB-CG2 4.31Å; S204-T208 PolarHBondContact O-N 3.07Å; S204-T208 PolarHBondContact O-OG1 3.4Å; E205-T208 WeakPolarHBondContact O-CB 3.34Å; E205-T208 PolarHBondContact O-N 2.9Å; V206-T208 VanDerWaalsContact C-N 3.29Å; V206-T208 PolarHBondContact O-N 3.44Å; T208-F210 VanDerWaalsContact C-N 3.28Å; T208-F210 PolarHBondContact O-N 3.35Å; T208-K211 PolarHBondContact O-N 3.15Å; T208-I212 HydrophobicContact CG2-CD1 4.17Å; T208-I212 VanDerWaalsContact O-CG1 3.26Å; T208-I212 WeakPolarHBondContact O-CG1 3.47Å; T208-I212 PolarHBondContact O-N 3.41Å
209I95.8Very high94.9Very high3 Ų331.5 Ų31.52%0.01518%0.175CC..Hα-helixtrans-59.2-41.3175.6-60.7159.8000110.7L171 L172 E205 V206 I212 C213 F236 W238L171-I209 HydrophobicContact CB-CD1 3.92Å; L171-I209 HydrophobicContact CB-CG1 3.71Å; L171-I209 HydrophobicContact CD1-CG1 4.05Å; L171-I209 HydrophobicContact CG-CG1 4.44Å; L172-I209 HydrophobicContact CD2-CD1 3.62Å; L172-I209 HydrophobicContact CG-CD1 4.19Å; E205-I209 WeakPolarHBondContact O-CG1 3.36Å; E205-I209 PolarHBondContact O-N 2.54Å; V206-I209 PolarHBondContact O-N 2.64Å; I209-I212 PolarHBondContact O-N 3.22Å; I209-C213 PolarHBondContact O-N 3.39Å; I209-C213 PolarHBondContact O-SG 3.04Å; I209-F236 HydrophobicContact CB-CZ 4.25Å; I209-F236 HydrophobicContact CG2-CE1 3.68Å; I209-F236 HydrophobicContact CG2-CZ 3.61Å; I209-W238 HydrophobicContact CG2-CE3 4.44Å; I209-W238 HydrophobicContact CG2-CH2 4.34Å; I209-W238 HydrophobicContact CG2-CZ3 3.75Å
210F95.2Very high94.8Very high72 Ų7236.2 Ų36.232%0.31619%0.194SC..Hα-helixtrans-59.8-47.7176.6-178.9-103.1000112.1V206 D207 T208 I212 C213 Q214 P239V206-F210 PolarHBondContact O-N 3.37Å; D207-F210 PolarHBondContact O-N 3.12Å; T208-F210 VanDerWaalsContact C-N 3.28Å; T208-F210 PolarHBondContact O-N 3.35Å; F210-I212 VanDerWaalsContact C-N 3.31Å; F210-I212 PolarHBondContact O-N 3.48Å; F210-C213 WeakPolarHBondContact O-CB 3.31Å; F210-C213 PolarHBondContact O-N 3.26Å; F210-C213 VanDerWaalsContact O-N 3.1Å; F210-Q214 HydrophobicContact CD1-CG 4.29Å; F210-Q214 VanDerWaalsContact CE1-CD 3.41Å; F210-Q214 HydrophobicContact CE1-CG 3.94Å; F210-Q214 HydrophobicContact CZ-CG 4.17Å; F210-Q214 WeakPolarHBondContact O-CG 3.42Å; F210-Q214 PolarHBondContact O-N 3.38Å; F210-P239 HydrophobicContact CD2-CB 3.88Å; F210-P239 HydrophobicContact CD2-CG 3.95Å; F210-P239 HydrophobicContact CE2-CB 3.96Å; F210-P239 HydrophobicContact CE2-CG 4.46Å
211K96Very high94.7Very high52 Ų5243.1 Ų43.123%0.22622%0.224CC..Hα-helixtrans-63.7-34.1176.6-71.7159.8-172.9-102.30113P201 D207 T208 Q214 V215P201-K211 WeakPolarHBondContact O-CD 3.3Å; P201-K211 WeakPolarHBondContact O-CE 3.21Å; P201-K211 PolarHBondContact O-NZ 3Å; D207-K211 WeakPolarHBondContact O-CD 3.46Å; D207-K211 VanDerWaalsContact O-CG 3.31Å; D207-K211 WeakPolarHBondContact O-CG 3.19Å; D207-K211 PolarHBondContact O-N 3.34Å; D207-K211 WeakPolarHBondContact OD1-CE 3.15Å; D207-K211 WeakPolarHBondContact OD2-CE 3.32Å; T208-K211 PolarHBondContact O-N 3.15Å; K211-Q214 PolarHBondContact O-N 3Å; K211-V215 PolarHBondContact O-N 3.45Å
212I97.6Very high94.7Very high0 Ų046.1 Ų46.10%024%0.242CC..Hα-helixtrans-63.3-45.9171.5-62.6164000110.1L171 W184 F200 T208 I209 F210 Q214 V215 L216 W267L171-I212 HydrophobicContact CD1-CD1 3.62Å; W184-I212 HydrophobicContact CH2-CD1 4.48Å; W184-I212 HydrophobicContact CH2-CG2 3.57Å; W184-I212 HydrophobicContact CZ2-CD1 3.73Å; W184-I212 HydrophobicContact CZ2-CG1 3.97Å; W184-I212 HydrophobicContact CZ2-CG2 3.78Å; F200-I212 HydrophobicContact CB-CG1 4.19Å; F200-I212 HydrophobicContact CD1-CB 4.31Å; F200-I212 HydrophobicContact CD1-CG1 3.69Å; F200-I212 HydrophobicContact CD2-CD1 4.43Å; F200-I212 HydrophobicContact CD2-CG1 3.74Å; F200-I212 HydrophobicContact CE1-CB 4.21Å; F200-I212 HydrophobicContact CE1-CG1 3.92Å; F200-I212 HydrophobicContact CE1-CG2 4.46Å; F200-I212 HydrophobicContact CE2-CG1 3.96Å; F200-I212 HydrophobicContact CG-CG1 3.6Å; F200-I212 HydrophobicContact CZ-CB 4.46Å; F200-I212 HydrophobicContact CZ-CG1 4.05Å; F200-I212 HydrophobicContact CZ-CG2 4.3Å; T208-I212 HydrophobicContact CG2-CD1 4.17Å; T208-I212 VanDerWaalsContact O-CG1 3.26Å; T208-I212 WeakPolarHBondContact O-CG1 3.47Å; T208-I212 PolarHBondContact O-N 3.41Å; I209-I212 PolarHBondContact O-N 3.22Å; F210-I212 VanDerWaalsContact C-N 3.31Å; F210-I212 PolarHBondContact O-N 3.48Å; I212-Q214 VanDerWaalsContact C-N 3.32Å; I212-Q214 PolarHBondContact O-N 2.98Å; I212-V215 PolarHBondContact O-N 2.89Å; I212-V215 VanDerWaalsContact O-N 3.17Å; I212-L216 HydrophobicContact CG2-CD1 3.8Å; I212-L216 HydrophobicContact CG2-CG 4.38Å; I212-L216 PolarHBondContact O-N 3.21Å; I212-W267 HydrophobicContact CB-CH2 4.12Å; I212-W267 HydrophobicContact CG2-CH2 3.4Å; I212-W267 VanDerWaalsContact CG2-CH2 3.4Å; I212-W267 HydrophobicContact CG2-CZ2 3.62Å; I212-W267 HydrophobicContact CG2-CZ3 4.02Å
213C96.9Very high94.6Very high0 Ų049.8 Ų49.80%026%0.261CS..Hα-helixtrans-61.8-35.5175.7-58.80000113I209 F210 V215 G217 P239 C241I209-C213 PolarHBondContact O-N 3.39Å; I209-C213 PolarHBondContact O-SG 3.04Å; F210-C213 WeakPolarHBondContact O-CB 3.31Å; F210-C213 PolarHBondContact O-N 3.26Å; F210-C213 VanDerWaalsContact O-N 3.1Å; C213-V215 PolarHBondContact O-N 2.61Å; C213-G217 CarbonylContact O-C 3.51Å; C213-G217 WeakPolarHBondContact O-CA 3.44Å; C213-G217 PolarHBondContact O-N 3.44Å; C213-P239 HydrophobicContact CB-CG 3.65Å; C213-C241 HydrophobicContact CB-CB 4.09Å; C213-C241 WeakPolarHBondContact O-CB 3.38Å
214Q95Very high94.8Very high96 Ų9646.5 Ų46.545%0.44924%0.237SC..Hα-helixtrans-63.4-28.1176.8-70.6-176.3-62.200113.2F210 K211 I212 S244F210-Q214 HydrophobicContact CD1-CG 4.29Å; F210-Q214 VanDerWaalsContact CE1-CD 3.41Å; F210-Q214 HydrophobicContact CE1-CG 3.94Å; F210-Q214 HydrophobicContact CZ-CG 4.17Å; F210-Q214 WeakPolarHBondContact O-CG 3.42Å; F210-Q214 PolarHBondContact O-N 3.38Å; K211-Q214 PolarHBondContact O-N 3Å; I212-Q214 VanDerWaalsContact C-N 3.32Å; I212-Q214 PolarHBondContact O-N 2.98Å; Q214-S244 PolarHBondContact O-OG 3.21Å
215V95.8Very high95Very high16 Ų1646.7 Ų46.710%0.09724%0.238CC..Hα-helixtrans-94.1-55.1179.7173.70000111.3F200 K211 I212 C213 S244 L246 L249F200-V215 HydrophobicContact CD1-CG2 4.48Å; F200-V215 HydrophobicContact CE1-CB 3.88Å; F200-V215 HydrophobicContact CE1-CG1 4.28Å; F200-V215 HydrophobicContact CE1-CG2 3.9Å; K211-V215 PolarHBondContact O-N 3.45Å; I212-V215 PolarHBondContact O-N 2.89Å; I212-V215 VanDerWaalsContact O-N 3.17Å; C213-V215 PolarHBondContact O-N 2.61Å; V215-S244 WeakPolarHBondContact O-CB 3.47Å; V215-S244 PolarHBondContact O-N 3.5Å; V215-L246 HydrophobicContact CG1-CD2 3.6Å; V215-L249 HydrophobicContact CB-CD1 4.28Å; V215-L249 HydrophobicContact CG1-CD1 3.63Å; V215-L249 HydrophobicContact CG2-CD1 3.9Å
216L96.5Very high95.2Very high34 Ų3447.8 Ų47.818%0.17824%0.243CC..Hα-helixtrans-90.81.7-172.5-56.8179.2000113.7W184 I212 L246 L265 W267W184-L216 HydrophobicContact CH2-CD1 3.53Å; W184-L216 HydrophobicContact CZ3-CD1 4.03Å; I212-L216 HydrophobicContact CG2-CD1 3.8Å; I212-L216 HydrophobicContact CG2-CG 4.38Å; I212-L216 PolarHBondContact O-N 3.21Å; L216-L246 HydrophobicContact CD2-CD2 4.49Å; L216-L265 HydrophobicContact CD1-CB 4.31Å; L216-L265 WeakPolarHBondContact CD1-O 3.34Å; L216-L265 HydrophobicContact CD2-CB 4.42Å; L216-W267 HydrophobicContact CB-CZ2 4.19Å
217G96.5Very high95.3Very high1 Ų143.9 Ų43.91%0.0122%0.219CC..  trans72.4173.1-169.700000112.1C213 C241 W267C213-G217 CarbonylContact O-C 3.51Å; C213-G217 WeakPolarHBondContact O-CA 3.44Å; C213-G217 PolarHBondContact O-N 3.44Å; G217-C241 CarbonylContact C-O 3.42Å; G217-C241 VanDerWaalsContact CA-O 3.28Å; G217-C241 WeakPolarHBondContact CA-O 3.34Å; G217-W267 VanDerWaalsContact O-CZ2 3.3Å; G217-W267 WeakPolarHBondContact O-CZ2 3.44Å
218T96.1Very high95.4Very high27 Ų2745.8 Ų45.817%0.16623%0.225CC..PPolyproline II helixtrans-71.3129.4170.9-53.80000109.7W238 P239 C241T218-W238 HydrophobicContact CG2-CB 3.85Å; T218-W238 HydrophobicContact CG2-CE3 4.5Å; T218-W238 HydrophobicContact CG2-CG 4.36Å; T218-P239 VanDerWaalsContact CG2-O 3.24Å; T218-P239 WeakPolarHBondContact CG2-O 3.36Å; T218-P239 PolarHBondContact OG1-O 3.27Å; T218-C241 PolarHBondContact N-O 3.26Å; T218-C241 PolarHBondContact OG1-N 3.27Å
219P95.9Very high95.4Very high4 Ų452.1 Ų52.13%0.02626%0.255CS..PPolyproline II helixtrans-63.9139.1175.226.6-32.1000109.6Y228 W238 W267P219-Y228 WeakPolarHBondContact O-CE2 3.41Å; P219-Y228 PolarHBondContact O-OH 3.13Å; P219-W238 HydrophobicContact CG-CD2 4.2Å; P219-W238 HydrophobicContact CG-CE3 3.85Å; P219-W238 HydrophobicContact CG-CH2 3.69Å; P219-W238 HydrophobicContact CG-CZ2 4.02Å; P219-W238 HydrophobicContact CG-CZ3 3.59Å; P219-W267 HydrophobicContact CB-CB 4.32Å; P219-W267 HydrophobicContact CB-CD2 3.74Å; P219-W267 HydrophobicContact CB-CE3 4.2Å; P219-W267 HydrophobicContact CB-CG 3.79Å; P219-W267 HydrophobicContact CG-CD2 3.92Å; P219-W267 HydrophobicContact CG-CE3 3.96Å; P219-W267 HydrophobicContact CG-CG 4.49Å; P219-W267 HydrophobicContact CG-CH2 4.22Å; P219-W267 HydrophobicContact CG-CZ2 4.2Å; P219-W267 HydrophobicContact CG-CZ3 4.1Å
220K93.6Very high95.4Very high128 Ų12853.8 Ų53.856%0.55726%0.263SS*.PPolyproline II helixtrans-79.3150.3172.5-50.4178.9-156.2133.10109.9T222 D223 W224K220-T222 WeakPolarHBondContact CB-OG1 3.36Å; K220-T222 PolarHBondContact O-N 3.05Å; K220-D223 HydrophobicContact CB-CB 4.25Å; K220-D223 VanDerWaalsContact CD-OD2 3.3Å; K220-D223 WeakPolarHBondContact CD-OD2 3.46Å; K220-D223 WeakPolarHBondContact CG-OD2 3.22Å; K220-D223 IonicContact NZ-OD2 3.79Å; K220-D223 PolarHBondContact NZ-OD2 3.47Å; K220-D223 PolarHBondContact O-N 3.12Å; K220-W224 PolarHBondContact O-N 2.85Å; K220-W224 VanDerWaalsContact O-N 3.13Å
221K93.9Very high95.4Very high146 Ų14650.4 Ų50.464%0.63525%0.248SC*.THydrogen-bonded Turntrans-62.6-24175.8-170178.5176.8-171.90113.3P225 Y228K221-P225 WeakPolarHBondContact O-CA 3.32Å; K221-P225 WeakPolarHBondContact O-CG 3.13Å; K221-Y228 VanDerWaalsContact CA-CE2 3.49Å; K221-Y228 HydrophobicContact CB-CD1 4.25Å; K221-Y228 HydrophobicContact CB-CD2 3.9Å; K221-Y228 HydrophobicContact CB-CE1 4.18Å; K221-Y228 HydrophobicContact CB-CE2 3.83Å; K221-Y228 HydrophobicContact CB-CG 4.1Å; K221-Y228 HydrophobicContact CD-CD1 4.3Å; K221-Y228 HydrophobicContact CD-CG 4.43Å; K221-Y228 HydrophobicContact CG-CD1 4.18Å; K221-Y228 HydrophobicContact CG-CD2 4.08Å; K221-Y228 HydrophobicContact CG-CE2 4.49Å; K221-Y228 HydrophobicContact CG-CG 3.89Å
222T94.4Very high95.3Very high112 Ų11252 Ų5269%0.68727%0.266SS*.THydrogen-bonded Turntrans-69.4-37.9170.343.30000112.7K220K220-T222 WeakPolarHBondContact CB-OG1 3.36Å; K220-T222 PolarHBondContact O-N 3.05Å
223D91.8Very high95.1Very high77 Ų7756 Ų5641%0.41230%0.299SS..THydrogen-bonded Turntrans-89.4-24.5-165.9-52.20.4000110.8K220K220-D223 HydrophobicContact CB-CB 4.25Å; K220-D223 VanDerWaalsContact CD-OD2 3.3Å; K220-D223 WeakPolarHBondContact CD-OD2 3.46Å; K220-D223 WeakPolarHBondContact CG-OD2 3.22Å; K220-D223 IonicContact NZ-OD2 3.79Å; K220-D223 PolarHBondContact NZ-OD2 3.47Å; K220-D223 PolarHBondContact O-N 3.12Å
224W95.9Very high94.8Very high4 Ų458.8 Ų58.82%0.01531%0.313CS..  trans-149.780.7170.3-173.532.9000112.4P168 E169 L172 K220 E226 G227 L230 W238 W267 D268P168-W224 HydrophobicContact CB-CH2 3.55Å; P168-W224 HydrophobicContact CB-CZ3 3.65Å; E169-W224 HydrophobicContact CB-CH2 4.4Å; E169-W224 HydrophobicContact CB-CZ2 3.96Å; L172-W224 HydrophobicContact CD1-CH2 3.8Å; L172-W224 HydrophobicContact CD1-CZ3 4.04Å; K220-W224 PolarHBondContact O-N 2.85Å; K220-W224 VanDerWaalsContact O-N 3.13Å; W224-E226 PolarHBondContact O-N 2.9Å; W224-G227 VanDerWaalsContact CD2-CA 3.48Å; W224-G227 PolarHBondContact O-N 2.8Å; W224-L230 HydrophobicContact CZ2-CD1 4.45Å; W224-W238 HydrophobicContact CZ3-CH2 4.05Å; W224-W238 HydrophobicContact CZ3-CZ2 4.39Å; W224-W267 HydrophobicContact CB-CB 4.39Å; W224-W267 HydrophobicContact CD2-CB 4.48Å; W224-W267 HydrophobicContact CE3-CB 4.14Å; W224-W267 AromaticContact CE3-CE3 3.83Å; W224-W267 HydrophobicContact CE3-CE3 3.83Å; W224-W267 AromaticContact CZ3-CE3 3.69Å; W224-W267 HydrophobicContact CZ3-CE3 3.69Å; W224-W267 HydrophobicContact CZ3-CZ3 4.18Å; W224-D268 HydrophobicContact CB-CB 4.35Å; W224-D268 HydrophobicContact CG-CB 4.14Å
225P95.4Very high94.7Very high54 Ų5461.3 Ų61.335%0.35133%0.33SS..Hα-helixtrans-60.8-40.2-176.7-23.433.1000114.2K221 G227 Y228 Q229K221-P225 WeakPolarHBondContact O-CA 3.32Å; K221-P225 WeakPolarHBondContact O-CG 3.13Å; P225-G227 VanDerWaalsContact C-N 3.33Å; P225-G227 PolarHBondContact O-N 2.66Å; P225-Y228 PolarHBondContact O-N 2.74Å; P225-Q229 PolarHBondContact O-N 3.22Å
226E95.1Very high94.6Very high71 Ų7162.1 Ų62.133%0.33233%0.332SS..Hα-helixtrans-68.1-32.8-178.8-59.294.714300112.1W224 Y228 Q229 L230 K270W224-E226 PolarHBondContact O-N 2.9Å; E226-Y228 VanDerWaalsContact C-N 3.25Å; E226-Y228 PolarHBondContact O-N 2.63Å; E226-Q229 WeakPolarHBondContact O-CB 3.29Å; E226-Q229 PolarHBondContact O-N 2.94Å; E226-L230 WeakPolarHBondContact O-CG 3.46Å; E226-L230 PolarHBondContact O-N 2.78Å; E226-K270 VanDerWaalsContact CD-NZ 3.35Å; E226-K270 VanDerWaalsContact OE1-CE 3.25Å; E226-K270 WeakPolarHBondContact OE1-CE 3.45Å; E226-K270 IonicContact OE1-NZ 3.44Å; E226-K270 PolarHBondContact OE1-NZ 3.27Å; E226-K270 IonicContact OE2-NZ 3.46Å; E226-K270 PolarHBondContact OE2-NZ 2.98Å
227G95Very high94.4Very high0 Ų071.2 Ų71.20%036%0.364CS..Hα-helixtrans-59.9-35.7173.900000112.8L172 W224 P225 A231L172-G227 WeakPolarHBondContact CD1-O 3.42Å; W224-G227 VanDerWaalsContact CD2-CA 3.48Å; W224-G227 PolarHBondContact O-N 2.8Å; P225-G227 VanDerWaalsContact C-N 3.33Å; P225-G227 PolarHBondContact O-N 2.66Å; G227-A231 VanDerWaalsContact O-CB 3.24Å; G227-A231 WeakPolarHBondContact O-CB 3.48Å; G227-A231 PolarHBondContact O-N 3.14Å
228Y96.1Very high94.3Very high64 Ų6472.5 Ų72.525%0.25137%0.368SS..Hα-helixtrans-70.1-33.1173.1-88.4-102000113.1P219 K221 P225 E226 S232 W238P219-Y228 WeakPolarHBondContact O-CE2 3.41Å; P219-Y228 PolarHBondContact O-OH 3.13Å; K221-Y228 VanDerWaalsContact CA-CE2 3.49Å; K221-Y228 HydrophobicContact CB-CD1 4.25Å; K221-Y228 HydrophobicContact CB-CD2 3.9Å; K221-Y228 HydrophobicContact CB-CE1 4.18Å; K221-Y228 HydrophobicContact CB-CE2 3.83Å; K221-Y228 HydrophobicContact CB-CG 4.1Å; K221-Y228 HydrophobicContact CD-CD1 4.3Å; K221-Y228 HydrophobicContact CD-CG 4.43Å; K221-Y228 HydrophobicContact CG-CD1 4.18Å; K221-Y228 HydrophobicContact CG-CD2 4.08Å; K221-Y228 HydrophobicContact CG-CE2 4.49Å; K221-Y228 HydrophobicContact CG-CG 3.89Å; P225-Y228 PolarHBondContact O-N 2.74Å; E226-Y228 VanDerWaalsContact C-N 3.25Å; E226-Y228 PolarHBondContact O-N 2.63Å; Y228-S232 WeakPolarHBondContact O-CB 3.45Å; Y228-S232 PolarHBondContact O-N 2.95Å; Y228-W238 AromaticContact CD1-CD1 3.9Å; Y228-W238 AromaticContact CD1-NE1 3.81Å; Y228-W238 AromaticContact CD2-NE1 3.88Å; Y228-W238 AromaticContact CE1-CD1 3.52Å; Y228-W238 AromaticContact CE1-NE1 3.83Å; Y228-W238 AromaticContact CE2-NE1 3.88Å; Y228-W238 AromaticContact CG-NE1 3.86Å; Y228-W238 AromaticContact CZ-CD1 3.68Å; Y228-W238 AromaticContact CZ-NE1 3.87Å
229Q95.5Very high94.2Very high134 Ų13472.4 Ų72.463%0.62637%0.368SS*.Hα-helixtrans-67.8-46.9174.9-60.4175.517.200110.8P225 E226 S232 A233P225-Q229 PolarHBondContact O-N 3.22Å; E226-Q229 WeakPolarHBondContact O-CB 3.29Å; E226-Q229 PolarHBondContact O-N 2.94Å; Q229-S232 WeakPolarHBondContact O-CB 3.37Å; Q229-S232 PolarHBondContact O-N 3.44Å; Q229-A233 PolarHBondContact O-N 3.1Å
230L95Very high94.1Very high37 Ų3780 Ų8019%0.19440%0.404CS..Hα-helixtrans-62.1-44.6176.4-65170.5000111.9E169 L172 W224 E226 S232 A233 M234E169-L230 HydrophobicContact CB-CD1 4.48Å; L172-L230 HydrophobicContact CB-CB 3.81Å; L172-L230 HydrophobicContact CB-CD1 4.37Å; L172-L230 HydrophobicContact CD1-CB 4.25Å; W224-L230 HydrophobicContact CZ2-CD1 4.45Å; E226-L230 WeakPolarHBondContact O-CG 3.46Å; E226-L230 PolarHBondContact O-N 2.78Å; L230-S232 VanDerWaalsContact C-N 3.35Å; L230-S232 PolarHBondContact O-N 2.92Å; L230-A233 PolarHBondContact O-N 3.1Å; L230-M234 PolarHBondContact O-N 3.05Å
231A94.8Very high94.1Very high1 Ų175.4 Ų75.41%0.00839%0.387CS..Hα-helixtrans-58.3-45.3173.900000112L172 G227 A233 M234 N235 F236 W238L172-A231 HydrophobicContact CD1-CB 4.32Å; L172-A231 HydrophobicContact CD2-CB 4.3Å; G227-A231 VanDerWaalsContact O-CB 3.24Å; G227-A231 WeakPolarHBondContact O-CB 3.48Å; G227-A231 PolarHBondContact O-N 3.14Å; A231-A233 VanDerWaalsContact C-N 3.34Å; A231-A233 PolarHBondContact O-N 2.59Å; A231-M234 CarbonylContact O-C 3.48Å; A231-M234 PolarHBondContact O-N 3.3Å; A231-M234 VanDerWaalsContact O-N 3.14Å; A231-N235 PolarHBondContact O-N 2.86Å; A231-F236 HydrophobicContact CB-CB 4.31Å; A231-F236 HydrophobicContact CB-CD1 3.95Å; A231-F236 PolarHBondContact O-N 3.43Å; A231-W238 HydrophobicContact CB-CZ2 4.04Å
232S94.4Very high94Very high85 Ų8574.4 Ų74.459%0.59439%0.393SS*.Hα-helixtrans-61-40.9176.8-169.10000112.3Y228 Q229 L230 M234 N235Y228-S232 WeakPolarHBondContact O-CB 3.45Å; Y228-S232 PolarHBondContact O-N 2.95Å; Q229-S232 WeakPolarHBondContact O-CB 3.37Å; Q229-S232 PolarHBondContact O-N 3.44Å; L230-S232 VanDerWaalsContact C-N 3.35Å; L230-S232 PolarHBondContact O-N 2.92Å; S232-M234 PolarHBondContact O-N 3.29Å; S232-N235 PolarHBondContact O-N 3.09Å
233A93.4Very high94Very high85 Ų8573.3 Ų73.370%0.70239%0.388SS*.Hα-helixtrans-66.7-19.8177.200000113.8Q229 L230 A231Q229-A233 PolarHBondContact O-N 3.1Å; L230-A233 PolarHBondContact O-N 3.1Å; A231-A233 VanDerWaalsContact C-N 3.34Å; A231-A233 PolarHBondContact O-N 2.59Å
234M91.4Very high93.9Very high58 Ų5872.2 Ų72.229%0.28639%0.386SS..THydrogen-bonded Turntrans-99.36.8172.3-70.2-17758.700113.6L172 R173 L230 A231 S232 F236L172-M234 VanDerWaalsContact CA-SD 3.55Å; L172-M234 HydrophobicContact CB-SD 4.44Å; L172-M234 HydrophobicContact CD2-SD 4.43Å; R173-M234 HydrophobicContact CB-SD 3.88Å; R173-M234 HydrophobicContact CG-CE 4.03Å; R173-M234 HydrophobicContact CG-SD 3.68Å; L230-M234 PolarHBondContact O-N 3.05Å; A231-M234 CarbonylContact O-C 3.48Å; A231-M234 PolarHBondContact O-N 3.3Å; A231-M234 VanDerWaalsContact O-N 3.14Å; S232-M234 PolarHBondContact O-N 3.29Å; M234-F236 HydrophobicContact CB-CB 4.38Å; M234-F236 PolarHBondContact O-N 3.49Å
235N93Very high93.7Very high149 Ų14977 Ų7780%0.79741%0.412SS*.THydrogen-bonded Turntrans51.623-168.6-58.8102.8000113.9A231 S232A231-N235 PolarHBondContact O-N 2.86Å; S232-N235 PolarHBondContact O-N 3.09Å
236F92.8Very high93.5Very high33 Ų3374.9 Ų74.915%0.14540%0.398CS..PPolyproline II helixtrans-77.1128-179.9177.2-109.8000110.3L172 V206 I209 A231 M234 W238L172-F236 HydrophobicContact CD2-CD1 4.03Å; L172-F236 HydrophobicContact CD2-CG 4.49Å; V206-F236 HydrophobicContact CG1-CE2 4.11Å; I209-F236 HydrophobicContact CB-CZ 4.25Å; I209-F236 HydrophobicContact CG2-CE1 3.68Å; I209-F236 HydrophobicContact CG2-CZ 3.61Å; A231-F236 HydrophobicContact CB-CB 4.31Å; A231-F236 HydrophobicContact CB-CD1 3.95Å; A231-F236 PolarHBondContact O-N 3.43Å; M234-F236 HydrophobicContact CB-CB 4.38Å; M234-F236 PolarHBondContact O-N 3.49Å; F236-W238 HydrophobicContact CD1-CD2 4.4Å; F236-W238 AromaticContact CE1-CD2 3.85Å; F236-W238 HydrophobicContact CE1-CD2 3.85Å; F236-W238 AromaticContact CE1-CE3 3.72Å; F236-W238 HydrophobicContact CE1-CE3 3.72Å; F236-W238 HydrophobicContact CE1-CG 4.36Å; F236-W238 HydrophobicContact CE1-CH2 4.41Å; F236-W238 HydrophobicContact CE1-CZ3 4.01Å
237R92.8Very high93.5Very high225 Ų22575.5 Ų75.585%0.84940%0.399SS*.PPolyproline II helixtrans-102.3121.8173.3-66.1-171.4-65.3-150.7-0.5109.3
238W94.2Very high93.4Very high28 Ų2880.6 Ų80.611%0.10643%0.43CS..PPolyproline II helixtrans-57.9131.5176.8-68.9104.3000111.5L172 I209 T218 P219 W224 Y228 A231 F236 W267L172-W238 HydrophobicContact CD1-CH2 3.88Å; L172-W238 HydrophobicContact CD1-CZ2 3.79Å; I209-W238 HydrophobicContact CG2-CE3 4.44Å; I209-W238 HydrophobicContact CG2-CH2 4.34Å; I209-W238 HydrophobicContact CG2-CZ3 3.75Å; T218-W238 HydrophobicContact CG2-CB 3.85Å; T218-W238 HydrophobicContact CG2-CE3 4.5Å; T218-W238 HydrophobicContact CG2-CG 4.36Å; P219-W238 HydrophobicContact CG-CD2 4.2Å; P219-W238 HydrophobicContact CG-CE3 3.85Å; P219-W238 HydrophobicContact CG-CH2 3.69Å; P219-W238 HydrophobicContact CG-CZ2 4.02Å; P219-W238 HydrophobicContact CG-CZ3 3.59Å; W224-W238 HydrophobicContact CZ3-CH2 4.05Å; W224-W238 HydrophobicContact CZ3-CZ2 4.39Å; Y228-W238 AromaticContact CD1-CD1 3.9Å; Y228-W238 AromaticContact CD1-NE1 3.81Å; Y228-W238 AromaticContact CD2-NE1 3.88Å; Y228-W238 AromaticContact CE1-CD1 3.52Å; Y228-W238 AromaticContact CE1-NE1 3.83Å; Y228-W238 AromaticContact CE2-NE1 3.88Å; Y228-W238 AromaticContact CG-NE1 3.86Å; Y228-W238 AromaticContact CZ-CD1 3.68Å; Y228-W238 AromaticContact CZ-NE1 3.87Å; A231-W238 HydrophobicContact CB-CZ2 4.04Å; F236-W238 HydrophobicContact CD1-CD2 4.4Å; F236-W238 AromaticContact CE1-CD2 3.85Å; F236-W238 HydrophobicContact CE1-CD2 3.85Å; F236-W238 AromaticContact CE1-CE3 3.72Å; F236-W238 HydrophobicContact CE1-CE3 3.72Å; F236-W238 HydrophobicContact CE1-CG 4.36Å; F236-W238 HydrophobicContact CE1-CH2 4.41Å; F236-W238 HydrophobicContact CE1-CZ3 4.01Å; W238-W267 HydrophobicContact CH2-CH2 4.48Å; W238-W267 AromaticContact CH2-CZ3 3.93Å; W238-W267 HydrophobicContact CH2-CZ3 3.93Å; W238-W267 AromaticContact CZ3-CH2 3.92Å; W238-W267 HydrophobicContact CZ3-CH2 3.92Å; W238-W267 AromaticContact CZ3-CZ3 3.84Å; W238-W267 HydrophobicContact CZ3-CZ3 3.84Å
239P93.9Very high93.3Very high25 Ų2581 Ų8116%0.16244%0.437CS..PPolyproline II helixtrans-63.8165.9166.733.2-37.8000109.6F210 C213 T218F210-P239 HydrophobicContact CD2-CB 3.88Å; F210-P239 HydrophobicContact CD2-CG 3.95Å; F210-P239 HydrophobicContact CE2-CB 3.96Å; F210-P239 HydrophobicContact CE2-CG 4.46Å; C213-P239 HydrophobicContact CB-CG 3.65Å; T218-P239 VanDerWaalsContact CG2-O 3.24Å; T218-P239 WeakPolarHBondContact CG2-O 3.36Å; T218-P239 PolarHBondContact OG1-O 3.27Å
240Q93.3Very high93.3Very high165 Ų16574.7 Ų74.777%0.77141%0.407SS*.  trans-102.3110.7168.8-62.5-56.9-67.500108.5
241C94.3Very high93.2Very high31 Ų3177 Ų7721%0.20943%0.425CS..  trans-135.8133.8-176.8-60.60000109.8C213 G217 T218C213-C241 HydrophobicContact CB-CB 4.09Å; C213-C241 WeakPolarHBondContact O-CB 3.38Å; G217-C241 CarbonylContact C-O 3.42Å; G217-C241 VanDerWaalsContact CA-O 3.28Å; G217-C241 WeakPolarHBondContact CA-O 3.34Å; T218-C241 PolarHBondContact N-O 3.26Å; T218-C241 PolarHBondContact OG1-N 3.27Å
242V92.6Very high93.2Very high124 Ų12479.8 Ų79.875%0.75244%0.439SS*.PPolyproline II helixtrans-82.8138.6172.51800000108.3S244V242-S244 PolarHBondContact O-N 3.1Å
243P92.4Very high93.3Very high90 Ų9075.8 Ų75.858%0.58441%0.411SS*.PPolyproline II helixtrans-61.8131.7176.324.5-34.2000112.2
244S91Very high93.5Very high54 Ų5473 Ų7338%0.37839%0.387SS..PPolyproline II helixtrans-84.1140.1168.5-64.60000109.6Q214 V215 V242 L246Q214-S244 PolarHBondContact O-OG 3.21Å; V215-S244 WeakPolarHBondContact O-CB 3.47Å; V215-S244 PolarHBondContact O-N 3.5Å; V242-S244 PolarHBondContact O-N 3.1Å; S244-L246 PolarHBondContact O-N 3.32Å
245N90.4Very high93.8Very high104 Ų10474.8 Ų74.856%0.55640%0.403SS*.PPolyproline II helixtrans-69.8120.3173.5-172.8-23.7000109.8K247 T248N245-K247 PolarHBondContact O-N 2.94Å; N245-K247 VanDerWaalsContact O-N 3.15Å; N245-K247 WeakPolarHBondContact OD1-CB 3.25Å; N245-K247 PolarHBondContact OD1-N 3.45Å; N245-T248 VanDerWaalsContact O-CB 3.31Å; N245-T248 WeakPolarHBondContact O-CB 3.14Å; N245-T248 PolarHBondContact O-N 3.3Å
246L92.3Very high94Very high9 Ų970 Ų705%0.04738%0.377CS..Hα-helixtrans-57-29.2178.7-72.8176.4000112.8V215 L216 S244 T248 L249 V250 I258 M261V215-L246 HydrophobicContact CG1-CD2 3.6Å; L216-L246 HydrophobicContact CD2-CD2 4.49Å; S244-L246 PolarHBondContact O-N 3.32Å; L246-T248 PolarHBondContact O-N 3.35Å; L246-L249 HydrophobicContact CD2-CD1 4.43Å; L246-L249 PolarHBondContact O-N 3.49Å; L246-V250 PolarHBondContact O-N 3.1Å; L246-I258 HydrophobicContact CB-CD1 4.38Å; L246-I258 HydrophobicContact CB-CG2 4.28Å; L246-M261 HydrophobicContact CD1-CG 4.43Å
247K94.2Very high94.3Very high84 Ų8468.4 Ų68.437%0.36537%0.37SS..Hα-helixtrans-65.2-24.8174.2-177.955.5175173.20113.1N245 V250 P251 A253 I258N245-K247 PolarHBondContact O-N 2.94Å; N245-K247 VanDerWaalsContact O-N 3.15Å; N245-K247 WeakPolarHBondContact OD1-CB 3.25Å; N245-K247 PolarHBondContact OD1-N 3.45Å; K247-V250 CarbonylContact O-C 3.35Å; K247-P251 PolarHBondContact NZ-O 2.81Å; K247-P251 VanDerWaalsContact O-CA 3.26Å; K247-P251 WeakPolarHBondContact O-CA 3Å; K247-A253 PolarHBondContact NZ-O 3.35Å; K247-I258 HydrophobicContact CB-CD1 4.45Å; K247-I258 HydrophobicContact CB-CG1 4.25Å; K247-I258 HydrophobicContact CD-CG1 4.07Å
248T94.1Very high94.6Very high107 Ų10758.5 Ų58.566%0.65633%0.334SS*.Hα-helixtrans-76.9-33.9173.9-50.40000111.6N245 L246N245-T248 VanDerWaalsContact O-CB 3.31Å; N245-T248 WeakPolarHBondContact O-CB 3.14Å; N245-T248 PolarHBondContact O-N 3.3Å; L246-T248 PolarHBondContact O-N 3.35Å
249L93.6Very high94.7Very high73 Ų7363 Ų6338%0.38235%0.351SS..Hα-helixtrans-80.9-29.9177.5-60.8177000112.7V215 L246 P251V215-L249 HydrophobicContact CB-CD1 4.28Å; V215-L249 HydrophobicContact CG1-CD1 3.63Å; V215-L249 HydrophobicContact CG2-CD1 3.9Å; L246-L249 HydrophobicContact CD2-CD1 4.43Å; L246-L249 PolarHBondContact O-N 3.49Å; L249-P251 VanDerWaalsContact C-CD 3.43Å; L249-P251 WeakPolarHBondContact O-CD 3.2Å
250V95.4Very high95Very high1 Ų161.8 Ų61.81%0.00634%0.343CS..SBendtrans-124.965.6-179.4-162.70000110.1A191 Y194 T195 L246 K247 N252 A253 I258 M261A191-V250 HydrophobicContact CB-CG2 4.43Å; Y194-V250 HydrophobicContact CD1-CG1 4.34Å; Y194-V250 HydrophobicContact CD2-CG1 3.97Å; Y194-V250 HydrophobicContact CG-CG1 3.65Å; T195-V250 HydrophobicContact CG2-CG1 4.22Å; T195-V250 HydrophobicContact CG2-CG2 4.14Å; L246-V250 PolarHBondContact O-N 3.1Å; K247-V250 CarbonylContact O-C 3.35Å; V250-N252 PolarHBondContact O-N 3.43Å; V250-A253 HydrophobicContact CB-CB 4.35Å; V250-A253 HydrophobicContact CG1-CB 3.65Å; V250-A253 PolarHBondContact O-N 2.96Å; V250-I258 HydrophobicContact CB-CD1 4.06Å; V250-M261 HydrophobicContact CG1-CE 4.29Å; V250-M261 HydrophobicContact CG2-CE 4.24Å; V250-M261 HydrophobicContact CG2-SD 4.02Å
251P93.8Very high95.2Very high86 Ų8653.9 Ų53.956%0.55831%0.306SS*.THydrogen-bonded Turntrans-65-24.9-171.226.8-35.8000113.6K247 L249K247-P251 PolarHBondContact NZ-O 2.81Å; K247-P251 VanDerWaalsContact O-CA 3.26Å; K247-P251 WeakPolarHBondContact O-CA 3Å; L249-P251 VanDerWaalsContact C-CD 3.43Å; L249-P251 WeakPolarHBondContact O-CD 3.2Å
252N94.4Very high95.4Very high59 Ų5955 Ų5532%0.31631%0.312SS..THydrogen-bonded Turntrans-84.2-2.1179.860.8-42.1000115.1Y194 V250Y194-N252 PolarHBondContact O-ND2 3.02Å; V250-N252 PolarHBondContact O-N 3.43Å
253A97.1Very high95.6Very high1 Ų150.9 Ų50.91%0.00829%0.286CS..SBendtrans-89.6139.5175.300000112.1Y194 K247 V250 A257 I258Y194-A253 HydrophobicContact CD1-CB 3.89Å; Y194-A253 HydrophobicContact CD2-CB 4.05Å; Y194-A253 HydrophobicContact CE1-CB 3.65Å; Y194-A253 HydrophobicContact CE2-CB 3.85Å; Y194-A253 HydrophobicContact CG-CB 4.09Å; K247-A253 PolarHBondContact NZ-O 3.35Å; V250-A253 HydrophobicContact CB-CB 4.35Å; V250-A253 HydrophobicContact CG1-CB 3.65Å; V250-A253 PolarHBondContact O-N 2.96Å; A253-A257 HydrophobicContact CB-CB 3.94Å; A253-I258 HydrophobicContact CB-CD1 3.88Å; A253-I258 HydrophobicContact CB-CG1 4.17Å
254S97.4Very high95.9Very high28 Ų2846.6 Ų46.620%0.19626%0.258CS..  trans-61.8161.5173.564.90000113.3E99 D256 A257 I258E99-S254 VanDerWaalsContact CD-OG 3.3Å; E99-S254 VanDerWaalsContact OE1-CB 3.24Å; E99-S254 WeakPolarHBondContact OE1-CB 3.37Å; E99-S254 PolarHBondContact OE1-OG 2.73Å; E99-S254 VanDerWaalsContact OE2-CB 3.24Å; E99-S254 WeakPolarHBondContact OE2-CB 3.4Å; E99-S254 PolarHBondContact OE2-N 3.47Å; E99-S254 PolarHBondContact OE2-OG 3.11Å; S254-D256 PolarHBondContact O-N 3Å; S254-A257 WeakPolarHBondContact O-CB 3.35Å; S254-A257 PolarHBondContact O-N 2.94Å; S254-A257 VanDerWaalsContact O-N 3.13Å; S254-A257 WeakPolarHBondContact OG-CB 3.36Å; S254-A257 PolarHBondContact OG-N 3.18Å; S254-I258 WeakPolarHBondContact O-CG1 3.48Å; S254-I258 PolarHBondContact O-N 3.03Å
255P97.3Very high96.3Very high95 Ų9544.2 Ų44.262%0.61724%0.241SC*.Hα-helixtrans-56.8-36.1176.7-26.236000113.5I258 R259P255-I258 PolarHBondContact O-N 2.81Å; P255-R259 PolarHBondContact O-N 2.88Å
256D97.9Very high96.6Very high47 Ų4742.1 Ų42.125%0.25123%0.228SC..Hα-helixtrans-73.1-34.2177.7-68.3-19.4000112.3S254 R259 L260 S282S254-D256 PolarHBondContact O-N 3Å; D256-R259 PolarHBondContact O-N 3.42Å; D256-R259 IonicContact OD1-CZ 2.67Å; D256-R259 IonicContact OD1-NH1 3.89Å; D256-R259 PolarHBondContact OD1-NH1 3.29Å; D256-R259 IonicContact OD1-NH2 3.75Å; D256-R259 PolarHBondContact OD1-NH2 3.46Å; D256-L260 PolarHBondContact O-N 3.1Å; D256-S282 VanDerWaalsContact OD2-CB 3.25Å; D256-S282 WeakPolarHBondContact OD2-CB 3.31Å
257A98.1Very high96.9Very high0 Ų042.9 Ų42.90%023%0.23CC..Hα-helixtrans-63.9-42.917100000111.8M190 Y194 A253 S254 M261 Y283M190-A257 HydrophobicContact CE-CB 3.79Å; M190-A257 VanDerWaalsContact CE-O 3.3Å; M190-A257 WeakPolarHBondContact CE-O 3.33Å; Y194-A257 HydrophobicContact CE2-CB 4.21Å; Y194-A257 WeakPolarHBondContact OH-CB 3.09Å; A253-A257 HydrophobicContact CB-CB 3.94Å; S254-A257 WeakPolarHBondContact O-CB 3.35Å; S254-A257 PolarHBondContact O-N 2.94Å; S254-A257 VanDerWaalsContact O-N 3.13Å; S254-A257 WeakPolarHBondContact OG-CB 3.36Å; S254-A257 PolarHBondContact OG-N 3.18Å; A257-M261 VanDerWaalsContact O-CB 3.27Å; A257-M261 WeakPolarHBondContact O-CB 3.47Å; A257-M261 PolarHBondContact O-N 2.85Å; A257-Y283 HydrophobicContact CB-CD2 3.63Å; A257-Y283 HydrophobicContact CB-CE2 3.49Å; A257-Y283 VanDerWaalsContact CB-CE2 3.49Å; A257-Y283 HydrophobicContact CB-CG 4.48Å
258I98.2Very high97Very high18 Ų1839.4 Ų39.49%0.09222%0.216CC..Hα-helixtrans-64.4-40.7174.7-65.6-61.8000111.2L246 K247 V250 A253 S254 P255 M261 T262L246-I258 HydrophobicContact CB-CD1 4.38Å; L246-I258 HydrophobicContact CB-CG2 4.28Å; K247-I258 HydrophobicContact CB-CD1 4.45Å; K247-I258 HydrophobicContact CB-CG1 4.25Å; K247-I258 HydrophobicContact CD-CG1 4.07Å; V250-I258 HydrophobicContact CB-CD1 4.06Å; A253-I258 HydrophobicContact CB-CD1 3.88Å; A253-I258 HydrophobicContact CB-CG1 4.17Å; S254-I258 WeakPolarHBondContact O-CG1 3.48Å; S254-I258 PolarHBondContact O-N 3.03Å; P255-I258 PolarHBondContact O-N 2.81Å; I258-M261 PolarHBondContact O-N 3.42Å; I258-T262 WeakPolarHBondContact O-CB 3.46Å; I258-T262 PolarHBondContact O-N 2.82Å; I258-T262 PolarHBondContact O-OG1 2.81Å
259R98.1Very high97.1Very high121 Ų12135.7 Ų35.746%0.45719%0.193SC..Hα-helixtrans-59.3-55.1175.7-166.1-176.9-56.2104.25.6110.9P255 D256 M261 T262 D263 Y281P255-R259 PolarHBondContact O-N 2.88Å; D256-R259 PolarHBondContact O-N 3.42Å; D256-R259 IonicContact OD1-CZ 2.67Å; D256-R259 IonicContact OD1-NH1 3.89Å; D256-R259 PolarHBondContact OD1-NH1 3.29Å; D256-R259 IonicContact OD1-NH2 3.75Å; D256-R259 PolarHBondContact OD1-NH2 3.46Å; R259-M261 VanDerWaalsContact C-N 3.3Å; R259-M261 PolarHBondContact O-N 3.17Å; R259-T262 WeakPolarHBondContact O-CB 3.26Å; R259-T262 PolarHBondContact O-N 2.73Å; R259-D263 PolarHBondContact O-N 3.33Å; R259-Y281 HydrophobicContact CG-CE1 4.47Å
260L98.6Very high97.2Very high0 Ų038.5 Ų38.50%020%0.202CC..Hα-helixtrans-55.8-43.4177.4177.260.4000112.4M190 D256 D263 L264 A278 Y281 Y283 F284M190-L260 HydrophobicContact CE-CB 4.46Å; M190-L260 HydrophobicContact CE-CD2 4.17Å; M190-L260 HydrophobicContact CE-CG 4.49Å; M190-L260 HydrophobicContact SD-CD2 4.18Å; M190-L260 HydrophobicContact SD-CG 4.26Å; D256-L260 PolarHBondContact O-N 3.1Å; L260-D263 PolarHBondContact O-N 3.02Å; L260-L264 HydrophobicContact CD1-CD1 3.98Å; L260-L264 HydrophobicContact CD1-CG 4.11Å; L260-L264 HydrophobicContact CG-CD1 3.95Å; L260-L264 WeakPolarHBondContact O-CB 3.31Å; L260-L264 VanDerWaalsContact O-CG 3.23Å; L260-L264 WeakPolarHBondContact O-CG 3.34Å; L260-L264 PolarHBondContact O-N 2.87Å; L260-A278 HydrophobicContact CD1-CB 4.01Å; L260-Y281 HydrophobicContact CB-CD1 3.74Å; L260-Y281 HydrophobicContact CB-CE1 4.21Å; L260-Y281 HydrophobicContact CB-CG 4.36Å; L260-Y281 HydrophobicContact CD1-CD1 3.86Å; L260-Y281 HydrophobicContact CD1-CD2 4.13Å; L260-Y281 HydrophobicContact CD1-CE1 4.06Å; L260-Y281 HydrophobicContact CD1-CE2 4.32Å; L260-Y281 HydrophobicContact CD1-CG 3.9Å; L260-Y281 HydrophobicContact CG-CD1 4.36Å; L260-Y283 HydrophobicContact CD2-CD1 3.57Å; L260-Y283 HydrophobicContact CD2-CE1 4.15Å; L260-Y283 HydrophobicContact CD2-CG 4.37Å; L260-F284 HydrophobicContact CD2-CE2 3.59Å; L260-F284 HydrophobicContact CD2-CZ 3.72Å
261M98.3Very high97.3Very high0 Ų043 Ų430%023%0.227CC..Hα-helixtrans-64.4-38.4177.4-173.7-173.9-61.300112.5M190 A191 Y194 L246 V250 A257 I258 R259 L265M190-M261 HydrophobicContact CB-CE 4.27Å; M190-M261 HydrophobicContact CG-CE 3.92Å; M190-M261 HydrophobicContact SD-CB 4.19Å; M190-M261 HydrophobicContact SD-CE 4.49Å; A191-M261 HydrophobicContact CB-CE 4.03Å; A191-M261 HydrophobicContact CB-SD 3.8Å; Y194-M261 HydrophobicContact CD2-CE 3.93Å; Y194-M261 HydrophobicContact CE2-CE 4.27Å; L246-M261 HydrophobicContact CD1-CG 4.43Å; V250-M261 HydrophobicContact CG1-CE 4.29Å; V250-M261 HydrophobicContact CG2-CE 4.24Å; V250-M261 HydrophobicContact CG2-SD 4.02Å; A257-M261 VanDerWaalsContact O-CB 3.27Å; A257-M261 WeakPolarHBondContact O-CB 3.47Å; A257-M261 PolarHBondContact O-N 2.85Å; I258-M261 PolarHBondContact O-N 3.42Å; R259-M261 VanDerWaalsContact C-N 3.3Å; R259-M261 PolarHBondContact O-N 3.17Å; M261-L265 HydrophobicContact CG-CD1 4.03Å; M261-L265 WeakPolarHBondContact O-CB 3.43Å; M261-L265 VanDerWaalsContact O-CG 3.26Å; M261-L265 WeakPolarHBondContact O-CG 3.24Å; M261-L265 PolarHBondContact O-N 2.83Å
262T97.8Very high97.5Very high55 Ų5539.5 Ų39.534%0.33720%0.202SC..Hα-helixtrans-63.6-46.6176.2-53.60000110.6I258 R259 L265 Q266I258-T262 WeakPolarHBondContact O-CB 3.46Å; I258-T262 PolarHBondContact O-N 2.82Å; I258-T262 PolarHBondContact O-OG1 2.81Å; R259-T262 WeakPolarHBondContact O-CB 3.26Å; R259-T262 PolarHBondContact O-N 2.73Å; T262-L265 CarbonylContact O-C 3.54Å; T262-L265 PolarHBondContact O-N 2.91Å; T262-L265 VanDerWaalsContact O-N 3.1Å; T262-Q266 PolarHBondContact O-N 3.32Å
263D98.3Very high97.7Very high37 Ų3737.2 Ų37.220%0.19819%0.191CC..Hα-helixtrans-73.4-30.4-175.6-63.9-40000112.8R259 L260 L265 Q266 P273 Y281R259-D263 PolarHBondContact O-N 3.33Å; L260-D263 PolarHBondContact O-N 3.02Å; D263-L265 VanDerWaalsContact C-N 3.29Å; D263-L265 PolarHBondContact O-N 3.43Å; D263-Q266 WeakPolarHBondContact O-CG 3.5Å; D263-Q266 PolarHBondContact OD1-NE2 2.82Å; D263-P273 HydrophobicContact CB-CG 4.34Å; D263-P273 WeakPolarHBondContact O-CD 3.41Å; D263-Y281 HydrophobicContact CB-CE1 4.37Å; D263-Y281 WeakPolarHBondContact CB-OH 3.34Å; D263-Y281 PolarHBondContact OD2-OH 2.93Å
264L98.6Very high97.7Very high0 Ų039.4 Ų39.40%021%0.208CC..Hα-helixtrans-67.5-27.5168.2-70.9169.6000113.1Q183 W184 V186 M190 L260 R272 P273Q183-L264 HydrophobicContact CB-CD2 3.91Å; W184-L264 WeakPolarHBondContact CA-O 3.47Å; V186-L264 HydrophobicContact CG1-CD1 4.12Å; M190-L264 HydrophobicContact SD-CD1 4.49Å; L260-L264 HydrophobicContact CD1-CD1 3.98Å; L260-L264 HydrophobicContact CD1-CG 4.11Å; L260-L264 HydrophobicContact CG-CD1 3.95Å; L260-L264 WeakPolarHBondContact O-CB 3.31Å; L260-L264 VanDerWaalsContact O-CG 3.23Å; L260-L264 WeakPolarHBondContact O-CG 3.34Å; L260-L264 PolarHBondContact O-N 2.87Å; L264-R272 WeakPolarHBondContact O-CD 3.27Å; L264-P273 HydrophobicContact CD2-CG 4.18Å
265L98.2Very high97.7Very high3 Ų338.1 Ų38.12%0.01620%0.2CC..THydrogen-bonded Turntrans-100.322-177.6-66.8176.5000113.7W184 L199 F200 L216 M261 T262 D263W184-L265 HydrophobicContact CD2-CD2 3.92Å; W184-L265 HydrophobicContact CE3-CD2 4.07Å; W184-L265 HydrophobicContact CG-CD2 4.44Å; W184-L265 HydrophobicContact CH2-CD2 4.4Å; W184-L265 HydrophobicContact CZ2-CD2 4.24Å; W184-L265 HydrophobicContact CZ3-CB 4.36Å; W184-L265 HydrophobicContact CZ3-CD2 4.32Å; W184-L265 VanDerWaalsContact CZ3-O 3.22Å; W184-L265 WeakPolarHBondContact CZ3-O 3.4Å; L199-L265 HydrophobicContact CD2-CD1 3.71Å; F200-L265 HydrophobicContact CE2-CD2 4.22Å; L216-L265 HydrophobicContact CD1-CB 4.31Å; L216-L265 WeakPolarHBondContact CD1-O 3.34Å; L216-L265 HydrophobicContact CD2-CB 4.42Å; M261-L265 HydrophobicContact CG-CD1 4.03Å; M261-L265 WeakPolarHBondContact O-CB 3.43Å; M261-L265 VanDerWaalsContact O-CG 3.26Å; M261-L265 WeakPolarHBondContact O-CG 3.24Å; M261-L265 PolarHBondContact O-N 2.83Å; T262-L265 CarbonylContact O-C 3.54Å; T262-L265 PolarHBondContact O-N 2.91Å; T262-L265 VanDerWaalsContact O-N 3.1Å; D263-L265 VanDerWaalsContact C-N 3.29Å; D263-L265 PolarHBondContact O-N 3.43Å
266Q97.8Very high97.7Very high61 Ų6136.3 Ų36.329%0.28519%0.192SC..  trans-63.8140.8174.6-66.4-69.4-6.900111.9T262 D263 N271 R272T262-Q266 PolarHBondContact O-N 3.32Å; D263-Q266 WeakPolarHBondContact O-CG 3.5Å; D263-Q266 PolarHBondContact OD1-NE2 2.82Å; Q266-N271 HydrophobicContact CB-CB 4.04Å; Q266-N271 HydrophobicContact CG-CB 4.26Å; Q266-R272 HydrophobicContact CB-CG 3.98Å; Q266-R272 PolarHBondContact O-NE 3.36Å; Q266-R272 PolarHBondContact O-NH2 3.32Å
267W96.9Very high97.7Very high24 Ų2439.3 Ų39.39%0.09121%0.205CC..SBendtrans-61.9-56.7-178.9-79.7103.4000112.2P168 I212 L216 G217 P219 W224 W238 P269 R272P168-W267 HydrophobicContact CB-CE3 3.79Å; P168-W267 HydrophobicContact CB-CZ3 3.77Å; P168-W267 HydrophobicContact CG-CE3 3.66Å; P168-W267 HydrophobicContact CG-CZ3 3.74Å; I212-W267 HydrophobicContact CB-CH2 4.12Å; I212-W267 HydrophobicContact CG2-CH2 3.4Å; I212-W267 VanDerWaalsContact CG2-CH2 3.4Å; I212-W267 HydrophobicContact CG2-CZ2 3.62Å; I212-W267 HydrophobicContact CG2-CZ3 4.02Å; L216-W267 HydrophobicContact CB-CZ2 4.19Å; G217-W267 VanDerWaalsContact O-CZ2 3.3Å; G217-W267 WeakPolarHBondContact O-CZ2 3.44Å; P219-W267 HydrophobicContact CB-CB 4.32Å; P219-W267 HydrophobicContact CB-CD2 3.74Å; P219-W267 HydrophobicContact CB-CE3 4.2Å; P219-W267 HydrophobicContact CB-CG 3.79Å; P219-W267 HydrophobicContact CG-CD2 3.92Å; P219-W267 HydrophobicContact CG-CE3 3.96Å; P219-W267 HydrophobicContact CG-CG 4.49Å; P219-W267 HydrophobicContact CG-CH2 4.22Å; P219-W267 HydrophobicContact CG-CZ2 4.2Å; P219-W267 HydrophobicContact CG-CZ3 4.1Å; W224-W267 HydrophobicContact CB-CB 4.39Å; W224-W267 HydrophobicContact CD2-CB 4.48Å; W224-W267 HydrophobicContact CE3-CB 4.14Å; W224-W267 AromaticContact CE3-CE3 3.83Å; W224-W267 HydrophobicContact CE3-CE3 3.83Å; W224-W267 AromaticContact CZ3-CE3 3.69Å; W224-W267 HydrophobicContact CZ3-CE3 3.69Å; W224-W267 HydrophobicContact CZ3-CZ3 4.18Å; W238-W267 HydrophobicContact CH2-CH2 4.48Å; W238-W267 AromaticContact CH2-CZ3 3.93Å; W238-W267 HydrophobicContact CH2-CZ3 3.93Å; W238-W267 AromaticContact CZ3-CH2 3.92Å; W238-W267 HydrophobicContact CZ3-CH2 3.92Å; W238-W267 AromaticContact CZ3-CZ3 3.84Å; W238-W267 HydrophobicContact CZ3-CZ3 3.84Å; W267-P269 WeakPolarHBondContact O-CD 3.21Å; W267-R272 PolarHBondContact O-NH2 3.49Å
268D96.6Very high97.7Very high12 Ų1239.3 Ų39.36%0.06421%0.205CC..SBendtrans-70.2120.8174.4-171.7-15.9000110.4W224 K270 N271W224-D268 HydrophobicContact CB-CB 4.35Å; W224-D268 HydrophobicContact CG-CB 4.14Å; D268-K270 PolarHBondContact O-N 3.17Å; D268-K270 VanDerWaalsContact O-N 3.09Å; D268-K270 WeakPolarHBondContact OD1-CB 3.26Å; D268-K270 VanDerWaalsContact OD1-CG 3.27Å; D268-K270 WeakPolarHBondContact OD1-CG 3.36Å; D268-K270 PolarHBondContact OD1-N 3.41Å; D268-K270 IonicContact OD1-NZ 3.45Å; D268-K270 PolarHBondContact OD1-NZ 3.39Å; D268-K270 IonicContact OD2-NZ 3.24Å; D268-K270 PolarHBondContact OD2-NZ 3.41Å; D268-N271 PolarHBondContact O-N 3.38Å
269P96.8Very high97.7Very high29 Ų2940.1 Ų40.119%0.18821%0.209CC..G310 helixtrans-57.2-20.817521.7-33.2000114.7E169 P180 W267 N271E169-P269 HydrophobicContact CG-CG 4.39Å; E169-P269 WeakPolarHBondContact OE1-CB 3.25Å; P180-P269 HydrophobicContact CB-CB 3.67Å; P180-P269 WeakPolarHBondContact CB-O 3.28Å; P180-P269 HydrophobicContact CG-CB 4.32Å; W267-P269 WeakPolarHBondContact O-CD 3.21Å; P269-N271 VanDerWaalsContact C-N 3.25Å; P269-N271 PolarHBondContact O-N 3.23Å
270K95.8Very high97.6Very high131 Ų13143.3 Ų43.357%0.5722%0.222SC*.G310 helixtrans-66-27.2174.6-60.1-178.7-14192.80113.1E226 D268E226-K270 VanDerWaalsContact CD-NZ 3.35Å; E226-K270 VanDerWaalsContact OE1-CE 3.25Å; E226-K270 WeakPolarHBondContact OE1-CE 3.45Å; E226-K270 IonicContact OE1-NZ 3.44Å; E226-K270 PolarHBondContact OE1-NZ 3.27Å; E226-K270 IonicContact OE2-NZ 3.46Å; E226-K270 PolarHBondContact OE2-NZ 2.98Å; D268-K270 PolarHBondContact O-N 3.17Å; D268-K270 VanDerWaalsContact O-N 3.09Å; D268-K270 WeakPolarHBondContact OD1-CB 3.26Å; D268-K270 VanDerWaalsContact OD1-CG 3.27Å; D268-K270 WeakPolarHBondContact OD1-CG 3.36Å; D268-K270 PolarHBondContact OD1-N 3.41Å; D268-K270 IonicContact OD1-NZ 3.45Å; D268-K270 PolarHBondContact OD1-NZ 3.39Å; D268-K270 IonicContact OD2-NZ 3.24Å; D268-K270 PolarHBondContact OD2-NZ 3.41Å
271N96.9Very high97.6Very high97 Ų9745.7 Ų45.752%0.51923%0.231SC..G310 helixtrans-92.7-7.3-174.3-64.5-15.9000113.3Q266 D268 P269Q266-N271 HydrophobicContact CB-CB 4.04Å; Q266-N271 HydrophobicContact CG-CB 4.26Å; D268-N271 PolarHBondContact O-N 3.38Å; P269-N271 VanDerWaalsContact C-N 3.25Å; P269-N271 PolarHBondContact O-N 3.23Å
272R98.1Very high97.5Very high12 Ų1248.7 Ų48.75%0.04525%0.252CS..SBendtrans-78.5132.3177.7-59.9178.1-157.4140.611.9110E169 P180 Q183 L264 Q266 W267E169-R272 IonicContact OE1-CZ 3.51Å; E169-R272 IonicContact OE1-NH1 2.82Å; E169-R272 PolarHBondContact OE1-NH1 2.73Å; E169-R272 IonicContact OE1-NH2 2.64Å; E169-R272 PolarHBondContact OE1-NH2 2.75Å; E169-R272 IonicContact OE2-CZ 2.67Å; E169-R272 IonicContact OE2-NH1 3.27Å; E169-R272 PolarHBondContact OE2-NH1 3.36Å; E169-R272 IonicContact OE2-NH2 3.04Å; E169-R272 PolarHBondContact OE2-NH2 2.96Å; P180-R272 WeakPolarHBondContact O-CD 3.46Å; P180-R272 PolarHBondContact O-NH1 2.89Å; Q183-R272 HydrophobicContact CB-CB 4.27Å; L264-R272 WeakPolarHBondContact O-CD 3.27Å; Q266-R272 HydrophobicContact CB-CG 3.98Å; Q266-R272 PolarHBondContact O-NE 3.36Å; Q266-R272 PolarHBondContact O-NH2 3.32Å; W267-R272 PolarHBondContact O-NH2 3.49Å
273P98.2Very high97.5Very high11 Ų1146.2 Ų46.27%0.07124%0.236CC..PPolyproline II helixtrans-66.5137.6179.128.5-33.8000110.6Q183 D263 L264 Q277 A278 Y281Q183-P273 WeakPolarHBondContact CG-O 3.25Å; D263-P273 HydrophobicContact CB-CG 4.34Å; D263-P273 WeakPolarHBondContact O-CD 3.41Å; L264-P273 HydrophobicContact CD2-CG 4.18Å; P273-Q277 HydrophobicContact CB-CB 4.18Å; P273-A278 HydrophobicContact CB-CB 4.44Å; P273-A278 HydrophobicContact CG-CB 4.37Å; P273-Y281 HydrophobicContact CB-CE2 4.38Å; P273-Y281 HydrophobicContact CG-CE2 4.47Å
274A97.8Very high97.5Very high46 Ų4645 Ų4538%0.3823%0.229SC..PPolyproline II helixtrans-65.6155169.200000110.4A276 Q277 A278A274-A276 PolarHBondContact O-N 3.05Å; A274-Q277 WeakPolarHBondContact O-CA 3.07Å; A274-Q277 WeakPolarHBondContact O-CB 3.08Å; A274-Q277 PolarHBondContact O-N 2.95Å; A274-A278 PolarHBondContact O-N 3.25Å
275S97.8Very high97.2Very high2 Ų251.2 Ų51.21%0.01426%0.258CS..Hα-helixtrans-51.6-39.7-174.2-39.40000113.6L110 L113 H117 Q183 Q277 A278 L279L110-S275 WeakPolarHBondContact O-CB 3.42Å; L113-S275 WeakPolarHBondContact CB-OG 3.28Å; H117-S275 PolarHBondContact ND1-OG 3.42Å; Q183-S275 VanDerWaalsContact NE2-N 3.17Å; Q183-S275 PolarHBondContact NE2-OG 3.23Å; S275-Q277 VanDerWaalsContact C-N 3.31Å; S275-Q277 PolarHBondContact O-N 2.77Å; S275-A278 PolarHBondContact O-N 3.13Å; S275-L279 VanDerWaalsContact O-CG 3.31Å; S275-L279 WeakPolarHBondContact O-CG 3.45Å; S275-L279 PolarHBondContact O-N 3.34Å; S275-L279 VanDerWaalsContact O-N 3.11Å
276A97Very high96.7Very high56 Ų5653.7 Ų53.746%0.46327%0.273SS..Hα-helixtrans-75.5-12.8178.900000114.9A114 A274 R280A114-A276 HydrophobicContact CB-CB 4.37Å; A274-A276 PolarHBondContact O-N 3.05Å; A276-R280 PolarHBondContact O-NE 3.09Å
277Q98Very high95.9Very high110 Ų11055 Ų5551%0.51430%0.303SS..Hα-helixtrans-91.5-43.6169-63.6167-38.700110.1P273 A274 S275 L279 R280P273-Q277 HydrophobicContact CB-CB 4.18Å; A274-Q277 WeakPolarHBondContact O-CA 3.07Å; A274-Q277 WeakPolarHBondContact O-CB 3.08Å; A274-Q277 PolarHBondContact O-N 2.95Å; S275-Q277 VanDerWaalsContact C-N 3.31Å; S275-Q277 PolarHBondContact O-N 2.77Å; Q277-L279 VanDerWaalsContact C-N 3.27Å; Q277-L279 PolarHBondContact O-N 3.1Å; Q277-R280 WeakPolarHBondContact O-CB 3.4Å; Q277-R280 PolarHBondContact O-N 3.35Å
278A98.2Very high95.1Very high0 Ų059.5 Ų59.50%033%0.325CS..Hα-helixtrans-55.3-39.917600000112.5L110 L260 P273 A274 S275 R280 Y281 F284L110-A278 HydrophobicContact CD1-CB 3.92Å; L110-A278 HydrophobicContact CD2-CB 3.96Å; L260-A278 HydrophobicContact CD1-CB 4.01Å; P273-A278 HydrophobicContact CB-CB 4.44Å; P273-A278 HydrophobicContact CG-CB 4.37Å; A274-A278 PolarHBondContact O-N 3.25Å; S275-A278 PolarHBondContact O-N 3.13Å; A278-R280 PolarHBondContact O-N 2.9Å; A278-Y281 VanDerWaalsContact O-CD2 3.3Å; A278-Y281 WeakPolarHBondContact O-CD2 3.3Å; A278-Y281 PolarHBondContact O-N 2.65Å; A278-F284 WeakPolarHBondContact O-CE2 3.4Å
279L97.4Very high94.4Very high35 Ų3563.4 Ų63.418%0.18336%0.359CS..THydrogen-bonded Turntrans-60.6-11.3174.2-74.7167.7000115.2F107 L110 Q111 A114 S275 Q277F107-L279 HydrophobicContact CD2-CD2 3.44Å; F107-L279 VanDerWaalsContact CD2-CD2 3.44Å; F107-L279 HydrophobicContact CE2-CD2 3.76Å; F107-L279 HydrophobicContact CG-CD2 4.15Å; L110-L279 HydrophobicContact CB-CD1 4.4Å; L110-L279 HydrophobicContact CB-CD2 3.69Å; L110-L279 HydrophobicContact CB-CG 3.83Å; L110-L279 HydrophobicContact CD1-CD2 4.49Å; Q111-L279 HydrophobicContact CG-CD1 4.04Å; Q111-L279 HydrophobicContact CG-CD2 4.15Å; A114-L279 HydrophobicContact CB-CD1 4.33Å; S275-L279 VanDerWaalsContact O-CG 3.31Å; S275-L279 WeakPolarHBondContact O-CG 3.45Å; S275-L279 PolarHBondContact O-N 3.34Å; S275-L279 VanDerWaalsContact O-N 3.11Å; Q277-L279 VanDerWaalsContact C-N 3.27Å; Q277-L279 PolarHBondContact O-N 3.1Å
280R97Very high94Very high189 Ų18963.6 Ų63.671%0.71336%0.358SS*.THydrogen-bonded Turntrans-97.82.9-179.7-53179.5-177-160.6-6.7113.7A276 Q277 A278 H285A276-R280 PolarHBondContact O-NE 3.09Å; Q277-R280 WeakPolarHBondContact O-CB 3.4Å; Q277-R280 PolarHBondContact O-N 3.35Å; A278-R280 PolarHBondContact O-N 2.9Å; R280-H285 PolarHBondContact O-CE1 3.48Å
281Y98Very high93.5Very high49 Ų4957.8 Ų57.819%0.19234%0.335CS..SBendtrans-71.9143.6179.2-81.8-125.7000110.5R259 L260 D263 P273 A278 Y283 F284R259-Y281 HydrophobicContact CG-CE1 4.47Å; L260-Y281 HydrophobicContact CB-CD1 3.74Å; L260-Y281 HydrophobicContact CB-CE1 4.21Å; L260-Y281 HydrophobicContact CB-CG 4.36Å; L260-Y281 HydrophobicContact CD1-CD1 3.86Å; L260-Y281 HydrophobicContact CD1-CD2 4.13Å; L260-Y281 HydrophobicContact CD1-CE1 4.06Å; L260-Y281 HydrophobicContact CD1-CE2 4.32Å; L260-Y281 HydrophobicContact CD1-CG 3.9Å; L260-Y281 HydrophobicContact CG-CD1 4.36Å; D263-Y281 HydrophobicContact CB-CE1 4.37Å; D263-Y281 WeakPolarHBondContact CB-OH 3.34Å; D263-Y281 PolarHBondContact OD2-OH 2.93Å; P273-Y281 HydrophobicContact CB-CE2 4.38Å; P273-Y281 HydrophobicContact CG-CE2 4.47Å; A278-Y281 VanDerWaalsContact O-CD2 3.3Å; A278-Y281 WeakPolarHBondContact O-CD2 3.3Å; A278-Y281 PolarHBondContact O-N 2.65Å; Y281-Y283 PolarHBondContact O-N 3.07Å; Y281-F284 PolarHBondContact O-N 3.39Å
282S97.2Very high92.8Very high63 Ų6354.5 Ų54.544%0.44132%0.319SS..G310 helixtrans-50.9-26.7178.3-52.40000114.3D256 F284 H285D256-S282 VanDerWaalsContact OD2-CB 3.25Å; D256-S282 WeakPolarHBondContact OD2-CB 3.31Å; S282-F284 PolarHBondContact O-N 3.36Å; S282-H285 PolarHBondContact O-N 3.17Å
283Y97.7Very high91.9Very high3 Ų356.3 Ų56.31%0.01233%0.332CS..G310 helixtrans-49.6-27.8170.8177.8-117.2000114.4E99 R103 M106 M190 Y194 A257 L260 Y281E99-Y283 HydrophobicContact CG-CE2 4Å; E99-Y283 WeakPolarHBondContact OE1-CE2 3.36Å; R103-Y283 WeakPolarHBondContact CA-OH 3.3Å; R103-Y283 HydrophobicContact CB-CE1 4.21Å; R103-Y283 HydrophobicContact CB-CE2 4.29Å; R103-Y283 WeakPolarHBondContact CD-O 3.16Å; R103-Y283 HydrophobicContact CG-CD1 4.43Å; R103-Y283 HydrophobicContact CG-CE1 4.04Å; R103-Y283 HydrophobicContact CG-CE2 4.36Å; R103-Y283 PolarHBondContact N-OH 3.1Å; R103-Y283 PolarHBondContact NE-O 3.01Å; M106-Y283 HydrophobicContact CB-CE1 4.47Å; M190-Y283 HydrophobicContact CE-CD1 4.24Å; M190-Y283 HydrophobicContact CE-CE1 3.72Å; M190-Y283 HydrophobicContact CE-CE2 4.34Å; Y194-Y283 VanDerWaalsContact OH-CE2 3.3Å; Y194-Y283 WeakPolarHBondContact OH-CE2 3.39Å; Y194-Y283 PolarHBondContact OH-OH 2.85Å; A257-Y283 HydrophobicContact CB-CD2 3.63Å; A257-Y283 HydrophobicContact CB-CE2 3.49Å; A257-Y283 VanDerWaalsContact CB-CE2 3.49Å; A257-Y283 HydrophobicContact CB-CG 4.48Å; L260-Y283 HydrophobicContact CD2-CD1 3.57Å; L260-Y283 HydrophobicContact CD2-CE1 4.15Å; L260-Y283 HydrophobicContact CD2-CG 4.37Å; Y281-Y283 PolarHBondContact O-N 3.07Å
284F97.3Very high90.6Very high12 Ų1263.3 Ų63.35%0.05336%0.364CS..G310 helixtrans-98.6-11.3177.3-59.5-63.8000114R103 M106 F107 L110 L260 A278 Y281 S282 V286 L290R103-F284 HydrophobicContact CG-CD1 3.84Å; R103-F284 HydrophobicContact CG-CE1 4.19Å; M106-F284 HydrophobicContact CB-CE1 4.31Å; M106-F284 HydrophobicContact CB-CZ 4.35Å; F107-F284 HydrophobicContact CB-CD1 3.92Å; F107-F284 HydrophobicContact CB-CE1 3.75Å; F107-F284 HydrophobicContact CD2-CB 4.21Å; F107-F284 AromaticContact CD2-CD1 3.61Å; F107-F284 HydrophobicContact CD2-CD1 3.61Å; F107-F284 HydrophobicContact CD2-CE1 4.09Å; F107-F284 AromaticContact CD2-CG 3.88Å; F107-F284 HydrophobicContact CD2-CG 3.88Å; F107-F284 HydrophobicContact CE2-CB 4.39Å; F107-F284 HydrophobicContact CE2-CG 4.49Å; F107-F284 HydrophobicContact CG-CD1 4.21Å; F107-F284 HydrophobicContact CG-CE1 4.43Å; L110-F284 HydrophobicContact CD1-CE2 3.89Å; L110-F284 HydrophobicContact CD1-CZ 3.69Å; L260-F284 HydrophobicContact CD2-CE2 3.59Å; L260-F284 HydrophobicContact CD2-CZ 3.72Å; A278-F284 WeakPolarHBondContact O-CE2 3.4Å; Y281-F284 PolarHBondContact O-N 3.39Å; S282-F284 PolarHBondContact O-N 3.36Å; F284-V286 VanDerWaalsContact C-N 3.31Å; F284-V286 PolarHBondContact O-N 2.63Å; F284-L290 HydrophobicContact CB-CD1 4.06Å; F284-L290 HydrophobicContact CD1-CD1 3.96Å; F284-L290 WeakPolarHBondContact O-CD1 3.42Å
285H93.5Very high89.4Confident130 Ų13068.1 Ų68.160%0.60238%0.379SS*.  trans-87.559.4-175.8-60.5154.7000112.5R280 S282R280-H285 PolarHBondContact O-CE1 3.48Å; S282-H285 PolarHBondContact O-N 3.17Å
286V87.5Confident88.2Confident56 Ų5670.9 Ų70.934%0.33939%0.393SS..SBendtrans-109.515.3-167.8-610000115.3F284 Q288 L290F284-V286 VanDerWaalsContact C-N 3.31Å; F284-V286 PolarHBondContact O-N 2.63Å; V286-Q288 HydrophobicContact CG2-CB 4.25Å; V286-Q288 PolarHBondContact O-N 2.94Å; V286-L290 HydrophobicContact CG2-CD1 4.45Å; V286-L290 HydrophobicContact CG2-CD2 4.49Å
287G79.8Confident86.7Confident88 Ų8872.8 Ų72.891%0.90740%0.395SS*.SBendtrans69.7-25179.300000115.8
288Q80.6Confident84.9Confident118 Ų11873.4 Ų73.455%0.55140%0.397SS*.SBendtrans-73.2141.1171.9-169.6-177.23.100111.1V286 L290V286-Q288 HydrophobicContact CG2-CB 4.25Å; V286-Q288 PolarHBondContact O-N 2.94Å; Q288-L290 PolarHBondContact O-N 2.95Å
289A82Confident83Confident94 Ų9480.7 Ų80.778%0.77743%0.431SS*.  trans-62.3124167.700000110.5
290L87.4Confident80.7Confident33 Ų3381.8 Ų81.817%0.17345%0.451CS..  trans-109.1156.1176-61.4178.4000110.5R103 F107 F284 V286 Q288R103-L290 HydrophobicContact CG-CD1 3.98Å; R103-L290 HydrophobicContact CG-CD2 4.22Å; F107-L290 HydrophobicContact CB-CB 4.44Å; F107-L290 HydrophobicContact CB-CD1 4.49Å; F107-L290 HydrophobicContact CD1-CB 3.44Å; F107-L290 VanDerWaalsContact CD1-CB 3.44Å; F107-L290 HydrophobicContact CD2-CB 4.36Å; F107-L290 HydrophobicContact CD2-CD1 4.1Å; F107-L290 HydrophobicContact CE1-CB 3.52Å; F107-L290 WeakPolarHBondContact CE1-O 3.49Å; F107-L290 HydrophobicContact CE2-CB 4.45Å; F107-L290 HydrophobicContact CE2-CD1 4.39Å; F107-L290 HydrophobicContact CG-CB 3.87Å; F107-L290 HydrophobicContact CG-CD1 4.18Å; F107-L290 HydrophobicContact CZ-CB 4.05Å; F284-L290 HydrophobicContact CB-CD1 4.06Å; F284-L290 HydrophobicContact CD1-CD1 3.96Å; F284-L290 WeakPolarHBondContact O-CD1 3.42Å; V286-L290 HydrophobicContact CG2-CD1 4.45Å; V286-L290 HydrophobicContact CG2-CD2 4.49Å; Q288-L290 PolarHBondContact O-N 2.95Å
291G86.9Confident78.2Confident9 Ų981.3 Ų81.39%0.09345%0.45CS..SBendtrans106.6-167.4-174.800000112N104 Q108 P293N104-G291 PolarHBondContact ND2-O 2.86Å; N104-G291 VanDerWaalsContact ND2-O 3.16Å; N104-G291 WeakPolarHBondContact OD1-CA 3.44Å; N104-G291 PolarHBondContact OD1-N 3.38Å; N104-G291 PolarHBondContact OD1-O 2.81Å; N104-G291 VanDerWaalsContact OD1-O 3.09Å; Q108-G291 PolarHBondContact NE2-O 2.93Å; G291-P293 WeakPolarHBondContact O-CD 3.16Å
292T81.9Confident75.5Confident28 Ų2883.5 Ų83.517%0.17247%0.47CS..SBendtrans-76.8125.5175.9-52.30000110.3Q108 E137 L138 Q294 I296Q108-T292 PolarHBondContact OE1-OG1 3.1Å; E137-T292 WeakPolarHBondContact O-CA 3.2Å; L138-T292 HydrophobicContact CB-CG2 4.15Å; L138-T292 HydrophobicContact CD1-CG2 3.8Å; L138-T292 WeakPolarHBondContact CD1-OG1 3.4Å; L138-T292 HydrophobicContact CG-CG2 4.41Å; T292-Q294 PolarHBondContact O-N 3.02Å; T292-I296 HydrophobicContact CG2-CB 4.13Å; T292-I296 HydrophobicContact CG2-CG2 4.14Å
293P79.3Confident72.8Confident51 Ų5189.2 Ų89.233%0.33149%0.49SS..  trans-54.9133.2172.2-25.534000111.8E137 G291 Q295 I296 L297E137-P293 HydrophobicContact CB-CG 4.4Å; G291-P293 WeakPolarHBondContact O-CD 3.16Å; P293-Q295 PolarHBondContact O-N 3.04Å; P293-Q295 VanDerWaalsContact O-N 3.14Å; P293-I296 HydrophobicContact CB-CD1 4.36Å; P293-I296 HydrophobicContact CB-CG1 4.37Å; P293-I296 HydrophobicContact CG-CD1 4.12Å; P293-I296 WeakPolarHBondContact O-CB 3.44Å; P293-I296 PolarHBondContact O-N 2.96Å; P293-L297 PolarHBondContact O-N 3.15Å
294Q71.2Confident70Confident157 Ų15797.1 Ų97.173%0.73453%0.531SS*.Hα-helixtrans-54.1-39-175.5-74.2-178.3-23.500112.8T292 I296 L297 E298T292-Q294 PolarHBondContact O-N 3.02Å; Q294-I296 VanDerWaalsContact C-N 3.25Å; Q294-I296 PolarHBondContact O-N 3.5Å; Q294-L297 WeakPolarHBondContact O-CA 3.41Å; Q294-L297 WeakPolarHBondContact O-CB 3.47Å; Q294-L297 PolarHBondContact O-N 2.91Å; Q294-E298 PolarHBondContact O-N 3.29Å
295Q70.9Confident67.2Low148 Ų14899.7 Ų99.769%0.69256%0.561SS**Hα-helixtrans-55.4-36.7176.7-64.5172.1-12.500113.1P293 Q299P293-Q295 PolarHBondContact O-N 3.04Å; P293-Q295 VanDerWaalsContact O-N 3.14Å; Q295-Q299 VanDerWaalsContact O-CG 3.3Å; Q295-Q299 WeakPolarHBondContact O-CG 3.45Å; Q295-Q299 PolarHBondContact O-N 2.94Å; Q295-Q299 VanDerWaalsContact O-N 3.1Å
296I72.9Confident64.5Low59 Ų59104.8 Ų104.830%0.30358%0.575SS.*Hα-helixtrans-74.2-33.9178-62.5-179.3000110.6E137 L138 T292 P293 Q294E137-I296 HydrophobicContact CB-CD1 4.02Å; L138-I296 HydrophobicContact CB-CG2 4.39Å; L138-I296 HydrophobicContact CD2-CG2 4.07Å; T292-I296 HydrophobicContact CG2-CB 4.13Å; T292-I296 HydrophobicContact CG2-CG2 4.14Å; P293-I296 HydrophobicContact CB-CD1 4.36Å; P293-I296 HydrophobicContact CB-CG1 4.37Å; P293-I296 HydrophobicContact CG-CD1 4.12Å; P293-I296 WeakPolarHBondContact O-CB 3.44Å; P293-I296 PolarHBondContact O-N 2.96Å; Q294-I296 VanDerWaalsContact C-N 3.25Å; Q294-I296 PolarHBondContact O-N 3.5Å
297L66.9Low62.3Low97 Ų97107.5 Ų107.551%0.50859%0.591SS.*Hα-helixtrans-70.9-33.6175.6-17164.2000112A60 P293 Q294 G300A60-L297 HydrophobicContact CB-CD1 4.48Å; P293-L297 PolarHBondContact O-N 3.15Å; Q294-L297 WeakPolarHBondContact O-CA 3.41Å; Q294-L297 WeakPolarHBondContact O-CB 3.47Å; Q294-L297 PolarHBondContact O-N 2.91Å; L297-G300 PolarHBondContact O-N 3.44Å
298E60Low60.4Low122 Ų122111.7 Ų111.757%0.5759%0.587SS**Hα-helixtrans-76.6-33.3177.5-68.9-171.3134.300113.4Q294 G300 R301Q294-E298 PolarHBondContact O-N 3.29Å; E298-G300 PolarHBondContact O-N 3.2Å; E298-G300 VanDerWaalsContact O-N 3.11Å; E298-R301 PolarHBondContact O-N 3.1Å
299Q56.7Low58.4Low153 Ų153113.5 Ų113.572%0.71560%0.6SS**THydrogen-bonded Turntrans-60.1-17.7170.6-76171.812.300113.4Q295 R301Q295-Q299 VanDerWaalsContact O-CG 3.3Å; Q295-Q299 WeakPolarHBondContact O-CG 3.45Å; Q295-Q299 PolarHBondContact O-N 2.94Å; Q295-Q299 VanDerWaalsContact O-N 3.1Å; Q299-R301 VanDerWaalsContact C-N 3.35Å
300G49.3Very low56.5Low58 Ų58117.2 Ų117.260%0.59860%0.601SS**THydrogen-bonded Turntrans-86.27.8172.600000115.3L297 E298L297-G300 PolarHBondContact O-N 3.44Å; E298-G300 PolarHBondContact O-N 3.2Å; E298-G300 VanDerWaalsContact O-N 3.11Å
301R45.6Very low54.2Low180 Ų180121.3 Ų121.368%0.67963%0.63SS**SBendtrans-103.8138.5169.4-70.5-180168.5176.7-4.4110E298 Q299 Q303E298-R301 PolarHBondContact O-N 3.1Å; Q299-R301 VanDerWaalsContact C-N 3.35Å; R301-Q303 PolarHBondContact O-N 3.42Å
302P40.3Very low51.9Low95 Ų95126.7 Ų126.762%0.61766%0.663SS**  trans-61.9124.7169.326.6-33.5000108.9L304P302-L304 PolarHBondContact O-N 2.75Å
303Q40.2Very low49.6Very low183 Ų183133.8 Ų133.886%0.85570%0.699SS**  trans-72.397.7171.7-66.3-168.718.400108.6R301 G305R301-Q303 PolarHBondContact O-N 3.42Å; Q303-G305 PolarHBondContact O-N 3.42Å; Q303-G305 VanDerWaalsContact O-N 3.12Å
304L40.7Very low47.7Very low168 Ų168140.2 Ų140.288%0.8873%0.725SS**  trans-51.5118.1154.1-87.1162.9000106.8P302 R306P302-L304 PolarHBondContact O-N 2.75Å; L304-R306 PolarHBondContact O-N 3.27Å
305G37.9Very low46Very low66 Ų66141.9 Ų141.968%0.6873%0.732SS**  trans-53.5115.9-171.600000110.3Q303 V307Q303-G305 PolarHBondContact O-N 3.42Å; Q303-G305 VanDerWaalsContact O-N 3.12Å; G305-V307 PolarHBondContact O-N 3.24Å
306R36.7Very low44.4Very low238 Ų238143.8 Ų143.890%0.89874%0.741SS**  trans-7378.6-178-172.4-178.3178.6179.9-0.6109.4L304 Q308L304-R306 PolarHBondContact O-N 3.27Å; R306-Q308 PolarHBondContact O-N 2.83Å; R306-Q308 VanDerWaalsContact O-N 3.12Å
307V42.1Very low42.6Very low113 Ų113150.3 Ų150.369%0.68577%0.77SS**  trans-50.7119.8162178.30000106.5G305 L309G305-V307 PolarHBondContact O-N 3.24Å; V307-L309 HydrophobicContact CG1-CG 4.38Å; V307-L309 PolarHBondContact O-N 3.14Å
308Q38.4Very low41.1Very low176 Ų176154.5 Ų154.582%0.82279%0.787SS**  trans-79.270.2-174-168.9171.3-2.500109.5R306 Q310R306-Q308 PolarHBondContact O-N 2.83Å; R306-Q308 VanDerWaalsContact O-N 3.12Å; Q308-Q310 PolarHBondContact O-N 3.39Å
309L39.7Very low39.9Very low155 Ų155158.1 Ų158.181%0.81280%0.804SS**  trans-56.4110.5172.8-72.8167.1000108.6V307V307-L309 HydrophobicContact CG1-CG 4.38Å; V307-L309 PolarHBondContact O-N 3.14Å
310Q42.1Very low38.9Very low173 Ų173158.9 Ų158.981%0.80881%0.808SS**PPolyproline II helixtrans-63.8141.1169.8-64.9175.5-7.300108.5Q308Q308-Q310 PolarHBondContact O-N 3.39Å
311P39.3Very low38.1Very low119 Ų119163.6 Ų163.677%0.77381%0.814SS**PPolyproline II helixtrans-65.4135.9178.327.4-33.7000110.2
312P38.2Very low38Very low122 Ų122160.3 Ų160.379%0.79282%0.816SS**PPolyproline II helixtrans-61.3141.2173.9-23.234000112Q314P312-Q314 PolarHBondContact O-N 2.87Å
313L34.4Very low37.6Very low177 Ų177163.2 Ų163.293%0.92783%0.826SS**PPolyproline II helixtrans-63.5117.6171.6-71.9161.8000109.9
314Q38.4Very low37.1Very low186 Ų186162 Ų16287%0.86982%0.824SS**PPolyproline II helixtrans-78.3120.8168.1-74.7-174.6-21.200109.7P312 Q316P312-Q314 PolarHBondContact O-N 2.87Å; Q314-Q316 PolarHBondContact O-N 3.33Å
315Q35.8Very low36.8Very low191 Ų191161.7 Ų161.789%0.89382%0.823SS**PPolyproline II helixtrans-73.8118171.5-68.1175.6-15.500109.5
316Q37.3Very low36.6Very low188 Ų188165.6 Ų165.688%0.87983%0.827SS**PPolyproline II helixtrans-82.1124.2163.4-72.7-178.3-21.800108.9Q314Q314-Q316 PolarHBondContact O-N 3.33Å
317Q35.2Very low36.4Very low197 Ų197163.4 Ų163.492%0.92182%0.824SS**PPolyproline II helixtrans-79.1128.7164.5-77.3-175.4-17.500109.4
318Q33.9Very low36.4Very low185 Ų185163.3 Ų163.386%0.86483%0.826SS**PPolyproline II helixtrans-85.2145.7172.7-68.7176.5-27.200110.6
319Q34.8Very low36.2Very low197 Ų197163 Ų16392%0.92183%0.827SS**PPolyproline II helixtrans-95.7152.4153.2-75.1-176-17.400109.9
320Q37.4Very low36.5Very low170 Ų170160.6 Ų160.679%0.79482%0.82SS**PPolyproline II helixtrans-78.5164.6-173.9-62.9170.99.700110.2
321Q31.9Very low37.3Very low156 Ų156157.3 Ų157.373%0.72981%0.814SS**  cis-172.5-176.1-5.8-111.8179.15200106.1
322P42.4Very low36.9Very low112 Ų112158.8 Ų158.873%0.72782%0.821SS**  cis-125.6-159.7-5.732.5-9.8000113.6
323L32Very low36.9Very low155 Ų155161.9 Ų161.981%0.81283%0.825SS**  trans-84.9174-174.2-61.1139.8000112.4
324L31Very low37.7Very low157 Ų157159 Ų15982%0.82282%0.816SS**  cis-161.5167.742.6-82.6167.7000114.8
325L33.3Very low38.5Very low162 Ų162155.6 Ų155.685%0.84881%0.811SS**  trans96.7144.4145.6-147.362.1000120.6
326L34.9Very low38.9Very low149 Ų149151.6 Ų151.678%0.7880%0.801SS**  trans-100.2-179.3-179.3-50.594.7000110.1
327K31.9Very low38.7Very low191 Ų191147.9 Ų147.983%0.8380%0.796SS**  cis-157.7-139.623.6-153.3177.3179.7-179.90111.5
328P41.5Very low38.6Very low112 Ų112145 Ų14573%0.72779%0.787SS**  -108-179-114.834.7-15000119.4
329M35.1Very low38.6Very low169 Ų169143.4 Ų143.483%0.83378%0.779SS**  trans-31.2170.7153.9-103.2172.472.800117.8
330P45.4Very low38.6Very low105 Ų105141.7 Ų141.768%0.68277%0.771SS**  cis-132.9-119.79.725.33.4000117.2
331P58Low38.2Very low104 Ų104138.3 Ų138.368%0.67577%0.765SS**  -128.8-179.5-111.442.7-25.7000116.5
332T32.8Very low38Very low149 Ų149136.8 Ų136.891%0.91477%0.767SS**  trans-174.9175.9132.619.60000115
333Q37.8Very low38.4Very low188 Ų188137.1 Ų137.188%0.87977%0.769SS**  trans-101.2176.3-161.8-90.8176.9-13.600115.2
334P49.8Very low38.6Very low115 Ų115135.3 Ų135.375%0.74777%0.769SS**  trans-92.4-165.7-17641.6-38.4000112.3
335P56.4Low38.9Very low116 Ų116138.8 Ų138.875%0.75377%0.772SS**  cis-125.5-135.81.233.7-7.2000110.7
336P44.6Very low39.6Very low107 Ų107136.5 Ų136.570%0.69577%0.766SS**  cis-139.7173.8-13.641.4-21000119.2
337S32Very low39.5Very low109 Ų109137.6 Ų137.676%0.76277%0.772SS**  trans21.5130.8145.4-52.30000126.1
338N33.9Very low39.6Very low136 Ų136137.7 Ų137.773%0.72778%0.775SS**  trans64.8118.3134.8-84.5-8.2000125.1
339Q33.4Very low39.6Very low152 Ų152141.2 Ų141.271%0.7178%0.782SS**  80.9153.1129.8-63179.119.900123.4
340H35Very low39.6Very low161 Ų161140 Ų14075%0.74578%0.784SS**  trans93.4121.9159.1-78.1-77.3000123.9
341C28.1Very low39Very low99 Ų99139.1 Ų139.167%0.66979%0.785SS**  trans65.6103.8139.2-67.50000124.7
342T28.3Very low39.2Very low125 Ų125139.8 Ų139.877%0.76779%0.789SS**  24.1155.5103.660.60000120.8
343P51.4Low40.2Very low118 Ų118138.2 Ų138.277%0.76678%0.782SS**  cis-145.5165.527.241.6-22.9000120
344S36.1Very low41.3Very low118 Ų118134.6 Ų134.683%0.82578%0.775SS**  trans161.1166.8137.1-78.50000110.9
345R36.5Very low40.7Very low230 Ų230133.4 Ų133.487%0.86878%0.775SS**  cis179.3149.7-36-171.8-174.4-176.7-152.7-0.5106
346P48.5Very low39.8Very low113 Ų113133.3 Ų133.373%0.73478%0.777SS**  cis-113.5-167.6-7.713.812.4000113.7
347L32.6Very low39.4Very low172 Ų172132.7 Ų132.790%0.90178%0.781SS**  trans-106.6161.2-174.8-53.784.5000114.2
348Q33.9Very low39.5Very low193 Ų193132.6 Ų132.690%0.90279%0.786SS**  trans-154.8139.1136.3-156.8173.528.800112.8
349Q41.6Very low39.5Very low187 Ų187130.5 Ų130.587%0.87479%0.788SS**  trans-167.1153.8167.9-115.4-174.77.800110
350V35.1Very low39.5Very low144 Ų144132.3 Ų132.387%0.87380%0.796SS**  trans156139.8144.6159.60000113.6
351A32.3Very low39.4Very low85 Ų85129.1 Ų129.170%0.70280%0.798SS**  trans-17.4159.4174.200000125.8
352P62.4Low39.5Very low118 Ų118128.8 Ų128.877%0.76680%0.803SS**  trans-88.5-164.2162.542.7-38.9000111.6
353P55.4Low39.8Very low116 Ų116127.6 Ų127.675%0.75380%0.799SS**  cis-131.8-141.56.143.3-20.9000112.1
354P59.2Low38.9Very low113 Ų113132.2 Ų132.273%0.73480%0.803SS**  cis-137.3-168.8-17.141-21.3000116.5
355A37.4Very low38.7Very low90 Ų90134.7 Ų134.774%0.74480%0.802SS**  trans73.1162.214800000121
356S37.9Very low38.3Very low113 Ų113133 Ų13379%0.7980%0.795SS**  cis-173.1154.6-32.460.10000114.8
357A35.7Very low37.6Very low95 Ų95134.9 Ų134.979%0.78579%0.794SS**  trans79.6138.9151.600000123.6
358A33.8Very low37.5Very low106 Ų106133 Ų13388%0.87679%0.79SS**  trans60.8149.4158.700000118.9
359A34.2Very low37.2Very low92 Ų92126.9 Ų126.976%0.7678%0.778SS**  cis-145.4-158.3-6.800000107.8
360Q34.8Very low37.8Very low190 Ų190123.6 Ų123.689%0.88877%0.773SS**  cis-154.9-157-1.2-150.7-176.473.700108.5
361A32.1Very low37.6Very low94 Ų94125.5 Ų125.578%0.77777%0.77SS**  trans-155.2146.4178.400000115.7
362A31Very low37.6Very low93 Ų93129.9 Ų129.977%0.76978%0.775SS**  trans-163.7142.9155.900000109.4
363S33Very low36.1Very low100 Ų100131.2 Ų131.270%0.69977%0.774SS**  cis107.8723.885.20000118.7
364Y33.2Very low35.7Very low215 Ų215131.3 Ų131.384%0.84378%0.775SS**  trans-148.2130.2148.9-71.6-71.9000106.9
365Q32.9Very low34.3Very low170 Ų170133.6 Ų133.679%0.79477%0.773SS**  60.1141.363.3-65.9-16414.400114.9
366R28.3Very low34.4Very low194 Ų194135.2 Ų135.273%0.73278%0.776SS**  cis-174.2166.6-27.8-159.3-165.8-110.6-177.9-1107.2
367H33.4Very low34.1Very low152 Ų152136.4 Ų136.470%0.70477%0.77SS**  trans72.3154.7170.3-53.9-76.5000115.4
368T30.6Very low33.8Very low133 Ų133141.3 Ų141.382%0.81678%0.776SS**  cis-153159.2-1.7-6.30000110.3
369G27.7Very low33.6Very low64 Ų64142.3 Ų142.366%0.6677%0.771SS**  trans-103.9-154.9157.500000110.7
370P54.1Low33.4Very low118 Ų118146.1 Ų146.177%0.76677%0.774SS**  cis-134.3-177-14.838.4-20.7000113.2
371K30.9Very low33.1Very low185 Ų185142.5 Ų142.580%0.80476%0.764SS**  trans157.2150.1132.2-89.9172.1179.6-176.60117.8
372H31.3Very low32.9Very low176 Ų176146.5 Ų146.582%0.81577%0.769SS**  trans86.9151.5145.5-95.5-85.6000125.1
373I32.3Very low33.9Very low146 Ų146146.9 Ų146.975%0.74976%0.763SS**  trans-127.6152.5-170.6-78.3165.9000105
374P46.4Very low33.7Very low118 Ų118151 Ų15177%0.76677%0.772SS**  cis-145-17841.121.47.3000119.7
375K28.6Very low33.5Very low161 Ų161144.6 Ų144.670%0.776%0.758SS**  trans6.5152.9142.6-102.6-165.7-178.8-162.80120.7E377K375-E377 VanDerWaalsContact CE-OE2 3.31Å; K375-E377 WeakPolarHBondContact CE-OE2 3.24Å; K375-E377 IonicContact NZ-OE1 2.66Å; K375-E377 IonicContact NZ-OE2 3.8Å; K375-E377 PolarHBondContact NZ-OE2 3.47Å
376P41.3Very low33.4Very low125 Ų125144.7 Ų144.781%0.81276%0.758SS**  -142.9-176.360.841.5-23.5000118
377E30.1Very low33.9Very low138 Ų138143.4 Ų143.465%0.64577%0.765SS**  trans-87.9158174.6-66.7134.6106.300113.2K375K375-E377 VanDerWaalsContact CE-OE2 3.31Å; K375-E377 WeakPolarHBondContact CE-OE2 3.24Å; K375-E377 IonicContact NZ-OE1 2.66Å; K375-E377 IonicContact NZ-OE2 3.8Å; K375-E377 PolarHBondContact NZ-OE2 3.47Å
378Q30Very low34.8Very low198 Ų198141.8 Ų141.893%0.92577%0.768SS**  trans-159.3-178.4144.6-114.2167.333.600111.6
379T29.9Very low34.9Very low126 Ų126145.1 Ų145.177%0.77377%0.767SS**  trans-132.3170-141.1-36.90000113.6
380E29.2Very low35.4Very low173 Ų173148.7 Ų148.781%0.80877%0.77SS**  trans110.8118.6150.5-58.2-142.6117.600121.4
381V28.6Very low34.4Very low114 Ų114148.1 Ų148.169%0.69176%0.764SS**  73.7104123.6179.80000122.4
382M28Very low34.5Very low178 Ų178144.2 Ų144.288%0.87775%0.752SS**  trans75.6162.4137.7-75.7-162.772.100123
383P53.2Low34.9Very low100 Ų100143.6 Ų143.665%0.64975%0.747SS**  trans-126.1163.1-154.543.4-30.1000117
384Q28.1Very low35Very low188 Ų188141.4 Ų141.488%0.87974%0.744SS**  trans-176.8163157.2-102.2166.634.500107.7
385S29.6Very low34.1Very low79 Ų79144.3 Ų144.355%0.55275%0.752SS**  cis-170.6-179.7-30.948.70000109.3
386H29.3Very low34.3Very low172 Ų172145.7 Ų145.780%0.79676%0.761SS**  trans70.7115.6166.8-61.3-67.5000121.8
387L39Very low33.9Very low167 Ų167145.2 Ų145.287%0.87476%0.761SS**  trans-112.7152.6136.7-76.2170.8000108.7
388P52.4Low33.9Very low119 Ų119147.4 Ų147.477%0.77377%0.768SS**  trans-127.3164.5148.7200.2000111.9
389Y33.8Very low34Very low202 Ų202145.3 Ų145.379%0.79276%0.759SS**  cis-172.9-174.5-20.1177-129.3000107.9
390I37.2Very low34.1Very low139 Ų139146.8 Ų146.871%0.71376%0.757SS**  trans77.9141.1171.3-58.6179000114.6
391V33.4Very low34Very low106 Ų106145.4 Ų145.464%0.64276%0.76SS**  cis-172165.3-27.784.30000107.2
392D33Very low34Very low103 Ų103143.7 Ų143.755%0.55177%0.766SS**  cis-158177.50.2-151.74.8000113.3
393K38.9Very low34Very low164 Ų164141.4 Ų141.471%0.71377%0.767SS**  trans10.7159.2143.8-78.2174.6-151.574.90123.5
394S34.2Very low32.9Very low100 Ų100140.6 Ų140.670%0.69977%0.769SS**  cis-170.6164.4-6.146.90000113.6
395L27.8Very low33.1Very low178 Ų178138.9 Ų138.993%0.93277%0.766SS**  trans-155.4165.9139.8-111.2168.7000110.3
396Q33Very low33.1Very low191 Ų191142.3 Ų142.389%0.89378%0.777SS**  trans-112.6174.5-157.6-74.3179.7-33.900116.5
397S33.3Very low33.2Very low115 Ų115141.5 Ų141.580%0.80478%0.778SS**  trans-141.4167.5-172.859.50000114.1
398K31.1Very low32.7Very low184 Ų184140 Ų14080%0.877%0.771SS**  trans-148.9124.7156.7-86.5-168.8173.6-176.10106.9
399Q30.3Very low31.7Very low154 Ų154144 Ų14472%0.7277%0.772SS**  67138.477.5-76.1-159.9-63.800115.3
400E32.6Very low31.5Very low157 Ų157142.1 Ų142.173%0.73477%0.77SS**  cis-168.9-170.6-27.9-138.5169.217600110.5
401T27.2Very low31.3Very low144 Ų144141.5 Ų141.588%0.88377%0.773SS**  trans75.3144.5-179.5750000116.5
402G28.2Very low31.3Very low78 Ų78145.9 Ų145.980%0.80478%0.783SS**  cis150.188.9-19.300000116.6
403S27.7Very low31.9Very low129 Ų129147 Ų14790%0.90280%0.796SS**  trans-168.6163.4153.3-157.80000111.6
404A31.2Very low31.6Very low84 Ų84149.1 Ų149.169%0.69481%0.805SS**  trans-151153.4-174.700000114.7
405N31.2Very low31.3Very low151 Ų151147.9 Ų147.981%0.80781%0.809SS**  trans-155.5123.5156.5-86.1-47.5000106
406L30.5Very low31.2Very low151 Ų151143.8 Ų143.879%0.79181%0.809SS**  55.2126.380.8-91.477.2000112.5
407L31.7Very low31Very low156 Ų156138.8 Ų138.882%0.81781%0.809SS**  cis-142.2175.435.5-101.9163.5000115.5
408N28.6Very low30.9Very low135 Ų135144.5 Ų144.572%0.72281%0.813SS**  trans-67.5155.9175.3-73.5-34.4000113.2
409Y30.8Very low31Very low202 Ų202147.2 Ų147.279%0.79282%0.818SS**  -167.3119.280.1-104.5-84.3000115.1
410Q30.7Very low30.8Very low163 Ų163149.8 Ų149.876%0.76282%0.821SS**  41152.7126.6-139.7177.917.500124.3
411V32.5Very low30.5Very low126 Ų126152.3 Ų152.376%0.76482%0.824SS**  trans92.1120.6160.5-170.50000118.7
412K33.5Very low30.6Very low198 Ų198148.5 Ų148.586%0.86181%0.813SS**  trans-103155.1160.6-65.6172.4174.3169.10108
413P44.8Very low30.5Very low127 Ų127153.7 Ų153.783%0.82582%0.816SS**  -147.8-175.793.338-20000115.9
414K32.5Very low30.4Very low208 Ų208150.3 Ų150.390%0.90480%0.802SS**  trans-76157.5-174.9-51.2161.2180171.40112.9
415G28.5Very low30.3Very low75 Ų75153.9 Ų153.977%0.77382%0.816SS**  136113.8125.200000119.1
416G26.4Very low30Very low91 Ų91149.9 Ų149.994%0.93881%0.81SS**  trans62110.7141.100000120.3
417G28.1Very low29.9Very low86 Ų86151.4 Ų151.489%0.88781%0.812SS**  trans-160.612516700000113.1
418R30Very low29.8Very low235 Ų235150.5 Ų150.589%0.88781%0.808SS**  trans-129.3109-178.6-166.8-170.9-162.4-128.98.5110.8
419R33.5Very low29.9Very low242 Ų242153 Ų15391%0.91381%0.812SS**  trans167.6149.8161.5-97.1160-97.5-1357.4107.9
420R27.4Very low29.7Very low208 Ų208147.9 Ų147.979%0.78581%0.806SS**  cis120.1105-1.6-175.6179-170.4-104.63.9113.5
421W25Very low29.6Very low210 Ų210146.7 Ų146.780%0.79581%0.805SS**  trans74.4154.9164.7-67.6126.6000120.1
422G28.8Very low29.4Very low64 Ų64146.9 Ų146.966%0.6680%0.801SS**  trans108.7110.4-165.200000109.5
423H26.8Very low29.2Very low186 Ų186148.3 Ų148.386%0.86180%0.802SS**  cis52.2120.441.4-69.2-69.6000112.8
424G25.7Very low28.5Very low59 Ų59148.8 Ų148.861%0.60880%0.797SS**  cis-175.2-161.1-1.800000111.9
425T28.9Very low28.4Very low159 Ų159144.8 Ų144.898%0.97579%0.786SS**  trans63147.7-178.866.30000115.9
426G24.5Very low28.4Very low66 Ų66151.5 Ų151.568%0.6879%0.789SS**  cis154.3131.5-900000112.6
427H29.4Very low28.8Very low183 Ų183154.1 Ų154.185%0.84778%0.777SS**  trans71.6151.8173.9-70.8-41.2000118.1
428L30.5Very low28.9Very low138 Ų138157.8 Ų157.872%0.72378%0.776SS**  cis-152.6172.1-2.5-130.6156.1000111.6
429K30.5Very low29.1Very low186 Ų186155.3 Ų155.381%0.80977%0.767SS**  trans74.2111.9177.9-53.8-172179.3-173.20114
430S25Very low28.9Very low96 Ų96150.8 Ų150.867%0.67176%0.761SS**  80.4116.151.2-169.10000112.2
431D29.5Very low29.2Very low138 Ų138147.7 Ų147.774%0.73876%0.759SS**  -169.3147.4100.7-80.7-14.4000111.4
432N27.5Very low29.2Very low129 Ų129143.6 Ų143.669%0.6976%0.762SS**  trans48126.1160.5-71.7-12000119.9
433W30.9Very low29.7Very low228 Ų228145.8 Ų145.886%0.86477%0.768SS**  cis-148.8139.829.3-87.199.2000113.4
434D29.5Very low29.7Very low138 Ų138145 Ų14574%0.73877%0.769SS**  trans-80.5179.8154-50.1-59.4000109.6
435N29.5Very low29.9Very low123 Ų123147 Ų14766%0.65877%0.774SS**  cis-160.5146.16.4-147.7-26.7000109.9
436Y29.9Very low30Very low217 Ų217146.3 Ų146.385%0.85176%0.763SS**  166.2133.8122.2-109-84.2000111.8
437E33.5Very low30.1Very low146 Ų146151.2 Ų151.268%0.68277%0.773SS**  trans-81166.2171-57-166125.300111.5
438D30.9Very low30Very low162 Ų162145.3 Ų145.387%0.86676%0.761SS**  -141.5151.2115.9-147.4-9.4000111.6
439R33.5Very low30Very low183 Ų183148 Ų14869%0.69177%0.767SS**  trans-93.8174.8171.5-102.9170.2170.8175.1-2.9107.5
440D30.5Very low29.9Very low148 Ų148145.7 Ų145.779%0.79176%0.763SS**  -163.4170.951.4-146.1-8.9000114.5
441L33Very low30Very low143 Ų143147.4 Ų147.475%0.74977%0.765SS**  trans-99.1152.7-179.1-72.7158.8000111.8
442S25.5Very low30Very low123 Ų123149.9 Ų149.986%0.8677%0.769SS**  trans-151.871.5152.539.70000112
443S38.6Very low30Very low111 Ų111148.5 Ų148.578%0.77677%0.77SS**  trans-101.8111.1153.4-68.40000108.1
444L26.5Very low29.9Very low169 Ų169142.3 Ų142.389%0.88576%0.762SS**  trans-131.6134.8166.7-79.8-179.9000111.5
445S31.2Very low29.9Very low102 Ų102142.9 Ų142.971%0.71376%0.76SS**  trans-89.7-176.7171.952.40000110.5
446I31.1Very low29.9Very low144 Ų144144.6 Ų144.674%0.73876%0.761SS**  trans139.2118.8142.6-73156.5000110.8
447L26.8Very low29.9Very low169 Ų169144 Ų14489%0.88576%0.758SS**  159.7156.9115.7-157.963.4000109.9
448G25.8Very low29.9Very low58 Ų58145.4 Ų145.460%0.59876%0.757SS**  trans-166.4164.1168.600000111.8
449K31.5Very low30Very low194 Ų194144.8 Ų144.884%0.84375%0.749SS**  trans176.9142.4161.7-104161.6-175.1-1790111.2
450N27.8Very low29.9Very low138 Ų138139.3 Ų139.374%0.73875%0.749SS**  trans66.6148.4153.5-59.812.3000116.9
451N27.5Very low29.9Very low133 Ų133140.4 Ų140.471%0.71175%0.749SS**  cis-146.3170.310.9-111.8-16.9000112.7
452F29Very low29.8Very low189 Ų189141.1 Ų141.183%0.82975%0.754SS**  trans-6.4155158.8-79.7-99.4000121.1
453S26.8Very low30.1Very low101 Ų101138.9 Ų138.971%0.70674%0.743SS**  cis-153.6152.424.862.40000117
454S28.9Very low29.8Very low98 Ų98141.3 Ų141.369%0.68575%0.746SS**  trans37.5124.2136.5-51.20000123.6
455E29.7Very low30Very low150 Ų150137.3 Ų137.370%0.70173%0.732SS**  -166.3169.4100-96.2-10174.300113
456K31Very low30.1Very low159 Ų159142.3 Ų142.369%0.69174%0.735SS**  trans-38.9136.7-173.6-69.9155.5-166.5121.90117.1
457R29.1Very low30.1Very low204 Ų204145.9 Ų145.977%0.7774%0.741SS**  64.2141.778-82.2-172.4166.9-175.7-1.4113.7
458R34.3Very low30.2Very low175 Ų175140.7 Ų140.766%0.6673%0.729SS**  cis-165.7148.917.9-136.1175.8174.3178.1-5.3113.4
459Q33.2Very low30.5Very low150 Ų150145.6 Ų145.670%0.70174%0.742SS**  trans57.1156.6155-74.2159.9-70.800118.5
460G29.5Very low30.5Very low67 Ų67141.9 Ų141.969%0.69174%0.735SS**  cis115.6140.610.400000110.7
461E31.6Very low30.8Very low171 Ų171142.4 Ų142.480%0.79974%0.737SS**  cis-152.7159.65.2-60.9174.1127.300111.5
462D31Very low30.9Very low159 Ų159141 Ų14185%0.8573%0.729SS**  trans65.9151.7136.7-92.4-27000129.3
463A32.1Very low31.1Very low76 Ų76141.4 Ų141.463%0.62873%0.727SS**  trans70.799.7139.400000124.6
464L32.3Very low31.2Very low161 Ų161142.4 Ų142.484%0.84373%0.734SS**  72.5148.1117.1-83.7161.9000124.1
465S30.2Very low31.5Very low85 Ų85149 Ų14959%0.59474%0.743SS**  trans70.3153.5161.5-66.80000117.9
466R32.9Very low32.4Very low207 Ų207147.4 Ų147.478%0.78175%0.746SS**  cis-167.4176.6-36.8-121.3-175.3-77.2-167.1-2.9106.9
467Y31.7Very low32.3Very low219 Ų219145.7 Ų145.786%0.85975%0.754SS**  trans-23.3144.1170.1-59.8-97.9000117.1
468G28.3Very low32.4Very low61 Ų61139.4 Ų139.463%0.62975%0.753SS**  cis135.4158.63.300000112.4
469N32.5Very low32.4Very low161 Ų161139.3 Ų139.386%0.86176%0.758SS**  trans68.9159176.8-54.5-23.4000113.9
470V31Very low32.5Very low116 Ų116139 Ų13970%0.70376%0.756SS**  cis-163.8150.7-0.596.60000112
471L35.1Very low32.6Very low149 Ų149141.9 Ų141.978%0.7876%0.755SS**  trans59.5162.1158.1-64.3176.3000120.1
472D30Very low32.7Very low103 Ų103139 Ų13955%0.55175%0.749SS**  cis-167.1169.6-36.1-152.8-13.9000110.4
473Y31.2Very low33.5Very low197 Ų197136.6 Ų136.677%0.77374%0.743SS**  trans48.7139.1166.9-61.7-67.8000120
474S29.5Very low33.5Very low122 Ų122140.8 Ų140.885%0.85375%0.754SS**  -171.6173.968.3-65.80000113.1
475R35.8Very low33.5Very low237 Ų237139.5 Ų139.589%0.89475%0.748SS**  trans-143.4142.2-175.8-160.8-169.9-161.8-169.77.1112.1
476P48Very low33.5Very low116 Ų116143.7 Ų143.775%0.75376%0.763SS**  trans-120.5149.5141.16.814.8000110.2
477S30.2Very low33.5Very low123 Ų123140.8 Ų140.886%0.8676%0.763SS**  cis88.7115.936.8-161.80000113.2
478G30.9Very low33.4Very low73 Ų73139.3 Ų139.375%0.75376%0.761SS**  trans170.4159.9-177.500000112.4
479K34.3Very low33.6Very low173 Ų173142.8 Ų142.875%0.75277%0.77SS**  trans-150.6-178.7-175-53-155.6-172.5-174.90110.9
480E34.1Very low33.4Very low144 Ų144139.6 Ų139.667%0.67377%0.766SS**  cis-146.4-177.4-10.4-143.9136.9-146.200104.8
481D32.1Very low33.5Very low126 Ų126139 Ų13967%0.67477%0.774SS**  cis-146.7-103.44.8179.6-112.2000110.3
482T34.4Very low33.2Very low110 Ų110143.2 Ų143.268%0.67578%0.78SS**  trans-147.9178.7-17066.90000111
483P48Very low33.4Very low110 Ų110147.4 Ų147.471%0.71480%0.797SS**  cis-120.9170-46.235.3-23.1000111.3
484L31Very low33.4Very low163 Ų163146.2 Ų146.285%0.85380%0.798SS**  trans-170.5135.9141.6-108166.6000115.1
485N31.4Very low33.6Very low135 Ų135145.7 Ų145.772%0.72279%0.792SS**  trans-7.4121154.2-163.4-7.9000118
486L32.1Very low33.9Very low172 Ų172140.1 Ų140.190%0.90179%0.789SS**  trans-124.1117.7174.9-163.378.4000111.8
487N31.1Very low33.8Very low146 Ų146146.3 Ų146.378%0.78180%0.798SS**  trans-132.371.7-168.2-150.6-0.2000112.9
488K30.2Very low34.6Very low189 Ų189145.6 Ų145.682%0.82279%0.788SS**  trans-171127.3148.2-112.4173.7-176.8176.90115.3
489T33.3Very low35.4Very low133 Ų133145 Ų14582%0.81678%0.776SS**  trans13.3110.714455.50000119.5
490A28.8Very low36.2Very low95 Ų95141.3 Ų141.379%0.78577%0.772SS**  trans-126.3139.7145.200000108.4
491A32.1Very low36.6Very low104 Ų104137.6 Ų137.686%0.8677%0.766SS**  trans-84.2136.4-174.900000111.8
492Y28.1Very low37.1Very low236 Ų236139.1 Ų139.193%0.92577%0.766SS**  trans-118.7135.1166.4-106.6-89.2000110.8
493Q34.1Very low37.6Very low191 Ų191140.6 Ų140.689%0.89377%0.766SS**  trans-100.7106.4-167.8-169.1175.418.100110.3
494E32.3Very low37.3Very low173 Ų173140.4 Ų140.481%0.80876%0.755SS**  trans-77.9135-177.3-164.1-178.9-155.400112.2S496E494-S496 PolarHBondContact O-N 3.42Å
495P33.1Very low37.9Very low110 Ų110140.1 Ų140.171%0.71474%0.744SS**  trans-63.2116.1-176.5-26.536.3000115.2R497P495-R497 VanDerWaalsContact C-N 3.34Å; P495-R497 PolarHBondContact O-N 3.09Å
496S42Very low38.5Very low120 Ų120139.6 Ų139.684%0.83974%0.74SS**THydrogen-bonded Turntrans-77.559-169.352.90000115.9E494E494-S496 PolarHBondContact O-N 3.42Å
497R45.8Very low38.9Very low246 Ų246142.3 Ų142.393%0.92874%0.739SS**THydrogen-bonded Turntrans-129.7-13.1172.8-74.6-166.5172.2-171.4-1.7117.7P495P495-R497 VanDerWaalsContact C-N 3.34Å; P495-R497 PolarHBondContact O-N 3.09Å
498T46.6Very low39.3Very low109 Ų109142.2 Ų142.267%0.66973%0.733SS**SBendtrans-100-18.5-176.640.10000115.3S500T498-S500 PolarHBondContact O-N 3.33Å
499A49Very low39.5Very low59 Ų59137.1 Ų137.149%0.48872%0.722SS.*Hα-helixtrans-64.6-39.5-172.200000114.7A501 K502 Q503A499-A501 PolarHBondContact O-N 2.73Å; A499-K502 PolarHBondContact O-N 3.3Å; A499-Q503 PolarHBondContact O-N 3.19Å
500S50.3Low40.1Very low97 Ų97141.5 Ų141.568%0.67872%0.723SS**Hα-helixtrans-59.3-48.7-173.4176.80000113.1T498 K502 Q503 H504T498-S500 PolarHBondContact O-N 3.33Å; S500-K502 VanDerWaalsContact C-N 3.34Å; S500-K502 PolarHBondContact O-N 2.71Å; S500-Q503 PolarHBondContact O-N 3.2Å; S500-H504 WeakPolarHBondContact O-CB 3.35Å; S500-H504 PolarHBondContact O-N 3.2Å
501A43.7Very low40.4Very low65 Ų65147.9 Ų147.954%0.53773%0.729SS.*Hα-helixtrans-64.4-37.5-179.500000112.5A499 H504 Y505A499-A501 PolarHBondContact O-N 2.73Å; A501-H504 PolarHBondContact O-N 3.4Å; A501-Y505 PolarHBondContact O-N 3.49Å; A501-Y505 VanDerWaalsContact O-N 3.1Å
502K42.6Very low40.6Very low158 Ų158150.9 Ų150.969%0.68773%0.73SS**Hα-helixtrans-67.7-42.8178.6-168.5176.5-179.2-178.30111.5A499 S500 Y505 L506A499-K502 PolarHBondContact O-N 3.3Å; S500-K502 VanDerWaalsContact C-N 3.34Å; S500-K502 PolarHBondContact O-N 2.71Å; K502-Y505 PolarHBondContact O-N 3.48Å; K502-L506 WeakPolarHBondContact O-CG 3.35Å; K502-L506 PolarHBondContact O-N 3.2Å
503Q44.5Very low40.8Very low141 Ų141145.9 Ų145.966%0.65973%0.726SS**Hα-helixtrans-68.5-37.6175.2-72.1-175.1-12.500112.6A499 S500 Y505 L506 R507A499-Q503 PolarHBondContact O-N 3.19Å; S500-Q503 PolarHBondContact O-N 3.2Å; Q503-Y505 PolarHBondContact O-N 3.37Å; Q503-L506 PolarHBondContact O-N 3.17Å; Q503-R507 WeakPolarHBondContact O-CB 3.24Å; Q503-R507 PolarHBondContact O-N 3.1Å
504H41.8Very low40.8Very low106 Ų106140.3 Ų140.349%0.49172%0.72SS.*Hα-helixtrans-60.3-44.1174.4-173.8-73000111.9S500 A501 R507 Q508S500-H504 WeakPolarHBondContact O-CB 3.35Å; S500-H504 PolarHBondContact O-N 3.2Å; A501-H504 PolarHBondContact O-N 3.4Å; H504-R507 PolarHBondContact O-N 2.9Å; H504-Q508 PolarHBondContact CE1-OE1 3.21Å
505Y43.3Very low40.9Very low158 Ų158139.8 Ų139.862%0.6272%0.721SS**Hα-helixtrans-61.7-50.4177.7-106.2-88.3000112.6A501 K502 Q503 R507 Q508 S509A501-Y505 PolarHBondContact O-N 3.49Å; A501-Y505 VanDerWaalsContact O-N 3.1Å; K502-Y505 PolarHBondContact O-N 3.48Å; Q503-Y505 PolarHBondContact O-N 3.37Å; Y505-R507 PolarHBondContact O-N 2.64Å; Y505-Q508 PolarHBondContact O-N 3.04Å; Y505-Q508 VanDerWaalsContact O-N 3.1Å; Y505-S509 PolarHBondContact O-N 3.13Å; Y505-S509 PolarHBondContact O-OG 2.96Å
506L44.5Very low40.6Very low123 Ų123139.6 Ų139.664%0.64472%0.722SS**Hα-helixtrans-62.8-24.9-179.4-69.9169.3000113.2K502 Q503 S509K502-L506 WeakPolarHBondContact O-CG 3.35Å; K502-L506 PolarHBondContact O-N 3.2Å; Q503-L506 PolarHBondContact O-N 3.17Å; L506-S509 PolarHBondContact O-OG 3.48Å
507R39.9Very low40Very low230 Ų230139.8 Ų139.887%0.86872%0.718SS**THydrogen-bonded Turntrans-82.4-10.4178.4-153.4175.3-170.9-177.83.5113.9Q503 H504 Y505Q503-R507 WeakPolarHBondContact O-CB 3.24Å; Q503-R507 PolarHBondContact O-N 3.1Å; H504-R507 PolarHBondContact O-N 2.9Å; Y505-R507 PolarHBondContact O-N 2.64Å
508Q38.4Very low39.4Very low143 Ų143136.6 Ų136.667%0.66871%0.711SS**THydrogen-bonded Turntrans-116-15.4180-66.9-166.4-15.400114.3H504 Y505 R510H504-Q508 PolarHBondContact CE1-OE1 3.21Å; Y505-Q508 PolarHBondContact O-N 3.04Å; Y505-Q508 VanDerWaalsContact O-N 3.1Å; Q508-R510 PolarHBondContact O-N 2.93Å
509S34.7Very low38.7Very low83 Ų83141 Ų14158%0.5872%0.721SS**  trans-72.595.1174.650.90000111.9Y505 L506Y505-S509 PolarHBondContact O-N 3.13Å; Y505-S509 PolarHBondContact O-OG 2.96Å; L506-S509 PolarHBondContact O-OG 3.48Å
510R46.6Very low37.8Very low224 Ų224145.4 Ų145.485%0.84574%0.736SS**  trans-116.320.5-179-136.8-149-62.9-177.92.1116.4Q508Q508-R510 PolarHBondContact O-N 2.93Å
511Y35.3Very low36.7Very low229 Ų229147.7 Ų147.790%0.89875%0.746SS**  trans-134.889.4172-69.7-70000112.1
512L36.7Very low36Very low168 Ų168148.5 Ų148.588%0.8875%0.752SS**  trans-126.4123.6152.9-82.8173.5000106.7G514L512-G514 PolarHBondContact O-N 3Å
513P31Very low35.5Very low131 Ų131148.7 Ų148.785%0.85176%0.759SS**  trans-71.3119179-19.132.8000112.3
514G33.7Very low34.8Very low74 Ų74149.8 Ų149.876%0.76377%0.77SS**  trans70.867.114600000119.5L512L512-G514 PolarHBondContact O-N 3Å
515I35Very low34.2Very low162 Ų162149.8 Ų149.883%0.83179%0.788SS**  trans-127.3113.3144.7-58.3-179.1000108T517I515-T517 HydrophobicContact CG2-CG2 4.47Å
516S27.2Very low33.7Very low105 Ų105147.6 Ų147.673%0.73480%0.796SS**  trans-96.194-177.9-168.40000111.2K518S516-K518 PolarHBondContact O-N 3.2Å
517T30.1Very low33.1Very low124 Ų124150.3 Ų150.376%0.76180%0.802SS**  trans-85.579.3169.443.50000110.3I515 K519I515-T517 HydrophobicContact CG2-CG2 4.47Å; T517-K519 PolarHBondContact O-N 3.25Å
518K31.8Very low32.9Very low180 Ų180146 Ų14678%0.78380%0.797SS**PPolyproline II helixtrans-57.6119.6167.3-71-174.3178.7-178.70109S516S516-K518 PolarHBondContact O-N 3.2Å
519K33.1Very low32.5Very low200 Ų200149 Ų14987%0.8781%0.808SS**PPolyproline II helixtrans-83.7125.5165.1-73.2-170.3173.6-170.90108.6T517T517-K519 PolarHBondContact O-N 3.25Å
520N29.1Very low32.3Very low152 Ų152151.2 Ų151.281%0.81382%0.818SS**PPolyproline II helixtrans-76.2145.6173.4-68.3-17.3000110.7
521V28.5Very low31.5Very low146 Ų146144.1 Ų144.189%0.88582%0.815SS**  trans-139.793.4163-179.60000108.2
522A29Very low31.3Very low81 Ų81139 Ų13967%0.66981%0.813SS**  trans-163114.3163.500000104.3
523I32Very low31.2Very low162 Ų162139.2 Ų139.283%0.83181%0.809SS**  70.4118.480-64.2165000110.8
524D28.7Very low31.2Very low165 Ų165141.1 Ų141.188%0.88281%0.811SS**  trans-68.5135.8-179.4-62.5-76.1000113.3
525A29.6Very low31.3Very low106 Ų106149.9 Ų149.988%0.87682%0.821SS**  trans-153.5154.7157.500000108.3
526S31.9Very low31Very low111 Ų111145.9 Ų145.978%0.77682%0.819SS**  trans-116.5158.6-159.857.30000115.6
527K33.3Very low31.1Very low180 Ų180144.3 Ų144.378%0.78382%0.82SS**  trans67.1111.7163-70-176.5170.2-177.10119.7
528D34.6Very low31.2Very low140 Ų140144.6 Ų144.675%0.74983%0.827SS**  33.5123.4117-37.3-41.7000119.8
529F30.4Very low31.1Very low206 Ų206141 Ų14190%0.90483%0.825SS**  -161.2179.3118-119.3-82.3000111.1
530T30.8Very low31.3Very low129 Ų129139.2 Ų139.279%0.79182%0.823SS**  trans-123.3161.6-157.749.70000115.4
531G29.5Very low32.6Very low76 Ų76136.8 Ų136.878%0.78482%0.815SS**  trans97.8158.5171.400000114.9
532S32.2Very low32.7Very low122 Ų122139.4 Ų139.485%0.85382%0.815SS**  cis-157.5-177-660.20000111.5
533H33Very low32.6Very low172 Ų172139.1 Ų139.180%0.79682%0.82SS**  trans-72161.3-175.3-71.4-116.2000114.3
534L31.5Very low32.4Very low171 Ų171134.5 Ų134.590%0.89581%0.812SS**  -175.5171.7109.7-95.5166.1000113.5
535W35.1Very low32.6Very low258 Ų258133.8 Ų133.898%0.97781%0.814SS**  trans-136.8155.3-172.7-105.577.5000111.8
536G29.4Very low32.9Very low77 Ų77136.5 Ų136.579%0.79481%0.813SS**  trans98.5151.8164.800000116.1
537G29.1Very low33.7Very low72 Ų72137.1 Ų137.174%0.74281%0.814SS**  cis165.3150.6-9.500000114.1
538S32.3Very low33.6Very low131 Ų131133.6 Ų133.692%0.91681%0.812SS**  trans66.8154.4179.5-135.10000115
539S29.5Very low33.6Very low105 Ų105138.8 Ų138.873%0.73482%0.821SS**  cis-154.4-177.817.5580000113.4
540I37.5Very low33.5Very low162 Ų162132.7 Ų132.783%0.83182%0.816SS**  trans-141177.8174.81.7175.2000107.1
541P55.9Low33.6Very low100 Ų100130.4 Ų130.465%0.64981%0.811SS**  cis-136.4-171-11.623.83.4000114.4
542F31.2Very low33.8Very low202 Ų202136.4 Ų136.489%0.88682%0.818SS**  146.1139.6120.3-121-82.7000117.1
543G27.2Very low33.6Very low74 Ų74134.4 Ų134.476%0.76382%0.817SS**  trans79.2151.7160.100000118.4
544G28.6Very low33.5Very low65 Ų65132.3 Ų132.367%0.6782%0.816SS**  cis171.4138.2-12.500000115.8
545T32.1Very low33.5Very low150 Ų150131 Ų13192%0.9281%0.811SS**  trans68.5148.9158.551.20000122.8
546L36.5Very low33.4Very low164 Ų164125.7 Ų125.786%0.85981%0.807SS**  trans-99.9164.3169.6-75.489.5000111.4
547P47.2Very low33.8Very low124 Ų124129.7 Ų129.781%0.80581%0.808SS**  -144.4-161.5106.840.2-26.7000113
548S32.9Very low34.5Very low105 Ų105132.4 Ų132.473%0.73481%0.813SS**  -177.8130-68.6-173.50000110.4
549R33.5Very low34.2Very low249 Ų249130 Ų13094%0.9481%0.808SS**  trans67.2129.5156.3-157.2179.8-167.3179.23.2119.6
550G28.1Very low34.2Very low78 Ų78128.6 Ų128.680%0.80481%0.811SS**  trans170.6144.6172.100000112.4
551A33.7Very low33.7Very low82 Ų82131.1 Ų131.168%0.67881%0.812SS**  trans-147.6154.9-142.700000115.1
552H32.8Very low32.7Very low201 Ų201133.8 Ų133.893%0.93182%0.819SS**  trans64.7152.9174.1-53.4-77.6000117.2
553G28.7Very low33.1Very low81 Ų81129.5 Ų129.584%0.83581%0.811SS**  trans150.7122.3174.900000112.9
554T31.2Very low33.3Very low127 Ų127130.4 Ų130.478%0.77981%0.806SS**  trans-103155.2-176.543.60000113.4
555N31.9Very low33.7Very low145 Ų145135.1 Ų135.178%0.77581%0.808SS**  trans49.6109.3152.6-59.3-13.3000119.6
556T32.4Very low34.1Very low146 Ų146135.3 Ų135.390%0.89679%0.793SS**  -173.7157.9112.8210000112.6
557I37.9Very low34Very low160 Ų160134.7 Ų134.782%0.82178%0.784SS**  trans-138.5131.6177.8-82.3177.9000104.9
558P42.6Very low33.5Very low129 Ų129137.7 Ų137.784%0.83878%0.784SS**  -151.5157.993.738.7-19.9000117.8
559G27.6Very low33.5Very low80 Ų80140.1 Ų140.183%0.82579%0.789SS**  trans117.6123.916500000114.4
560G28.3Very low33.4Very low77 Ų77132.1 Ų132.179%0.79478%0.784SS**  cis174.1155.4-8.900000114
561Y28.2Very low33.5Very low215 Ų215132.4 Ų132.484%0.84379%0.786SS**  trans76.6114.7166.1-120.3-98.4000120.6
562I33.8Very low33.7Very low155 Ų155134.6 Ų134.680%0.79580%0.797SS**  trans-126.6128.9156.1-65.9173.9000106.1
563P39.3Very low33.7Very low112 Ų112129.9 Ų129.973%0.72779%0.793SS**  trans-69.6137.7174.4-18.432.2000112.1
564S32.4Very low33.9Very low94 Ų94129.2 Ų129.266%0.65779%0.786SS**  trans-128.3163.8166.463.30000108.9
565F37.1Very low34Very low164 Ų164132.8 Ų132.872%0.71979%0.793SS**  trans166.4148.6151.6-81.6-38.5000108.8
566Y39.4Very low34Very low153 Ų153137.5 Ų137.560%0.680%0.8SS**  cis-156.8138.14.2-125.5-34.7000113.3
567K35.8Very low33.8Very low152 Ų152134 Ų13466%0.66179%0.793SS**  trans57162.1140.9-90.2169-172.9156.80119.9
568K35.2Very low33.5Very low187 Ų187138.1 Ų138.181%0.81380%0.798SS**  cis-145.5155.37.9-154.9-179.7174.5-1730112.4
569D34.1Very low32.9Very low155 Ų155141 Ų14183%0.82980%0.801SS**  trans-96.7170.3-174.7-42.5-97.7000115.7
570G31.7Very low33Very low82 Ų82140.8 Ų140.885%0.84580%0.799SS**  trans150.3135.4161.400000112
571G29.7Very low33Very low83 Ų83143.6 Ų143.686%0.85680%0.8SS**  cis179.5147.7-5.600000108.7
572S38.6Very low33.1Very low129 Ų129138.8 Ų138.890%0.90280%0.798SS**  trans-106.9134.5-168.5-172.40000114
573A31.8Very low33Very low101 Ų101137.2 Ų137.284%0.83580%0.795SS**  trans-156.1136.1160.500000110
574G32.7Very low32.5Very low67 Ų67140 Ų14069%0.69180%0.799SS**  trans-107.7165.2176.200000112.8
575H33.7Very low32.3Very low203 Ų203140.5 Ų140.594%0.9481%0.809SS**  trans-144.2169.2170.6-11057.5000112.5
576R31.1Very low32Very low244 Ų244139.4 Ų139.492%0.92182%0.815SS**  trans-126.898.3-146.5-173.5-171.7-169-176.54.9114.4
577G29.1Very low31.6Very low73 Ų73136.3 Ų136.375%0.75382%0.822SS**  trans67.2144.6144.900000121.4
578R31Very low31.4Very low245 Ų245134 Ų13493%0.92583%0.825SS**  -162.9166.3129.4-112.9179.4-176.6-92.90.4111.3
579Q31.2Very low31.3Very low191 Ų191132.2 Ų132.289%0.89382%0.824SS**  trans-88.2159-179.7-64155.6-56.100111.8
580G28.8Very low31.1Very low75 Ų75135.4 Ų135.477%0.77383%0.826SS**  trans-166.4136.2166.300000110.3
581T29.3Very low31.1Very low135 Ų135134.8 Ų134.883%0.82881%0.813SS**  trans-136.1165.6-172.946.90000110.9
582S29.7Very low31.2Very low114 Ų114135.8 Ų135.880%0.79780%0.803SS**  trans71.2151.5170.8-81.50000116.5
583V30.3Very low30.8Very low122 Ų122139.1 Ų139.174%0.73980%0.796SS**  cis-153.1-176.1-18.1100.90000110.2
584E29.3Very low30.8Very low171 Ų171143.5 Ų143.580%0.79979%0.791SS**  trans-54.9156.3179.7-54.8150.2110.500116.6
585A29.2Very low30.7Very low105 Ų105145.5 Ų145.587%0.86879%0.794SS**  trans-162.7150.5137.500000113
586T31Very low30.5Very low140 Ų140139.5 Ų139.586%0.85979%0.787SS**  trans-96.5175-168.343.50000116.6
587A31Very low30.4Very low88 Ų88139.3 Ų139.373%0.72779%0.786SS**  trans77.6133.8160.500000117
588S31.3Very low30.5Very low104 Ų104140.1 Ų140.173%0.72778%0.781SS**  cis8710431.8-60.20000114.9
589N31.8Very low30.5Very low150 Ų150136.7 Ų136.780%0.80278%0.775SS**  170.8147.6118.2-90.2-39.3000114.9
590Y30.1Very low30.4Very low221 Ų221135.5 Ų135.587%0.86777%0.771SS**  trans52163.2147.9-91.5-119.8000123.1
591A32.5Very low30.6Very low69 Ų69139.2 Ų139.257%0.5777%0.774SS**  -172.4154.8-59.500000112.8
592T31.8Very low31.4Very low105 Ų105139 Ų13964%0.64478%0.775SS**  trans79.9152.5148.9-18.20000121.7
593W31.1Very low31.5Very low199 Ų199138.7 Ų138.775%0.75477%0.773SS**  trans71.9147.7166-5098.5000118.4
594R31Very low31.6Very low193 Ų193138.9 Ų138.973%0.72877%0.774SS**  cis-162.3162.1-40-128.7-162.3-134.4-137.310.4110.1
595S30.6Very low31.6Very low109 Ų109138.2 Ų138.276%0.76278%0.776SS**  trans29.9139.8150.6-54.50000123.4
596G28.3Very low31.7Very low77 Ų77137.3 Ų137.379%0.79477%0.768SS**  trans163.673.7148.500000122.6
597R30.6Very low32.3Very low239 Ų239136.9 Ų136.990%0.90277%0.768SS**  trans32.8117.1142.3-115.2-162.4168173.4-4123.1
598S30.7Very low32.5Very low91 Ų91139.3 Ų139.364%0.63677%0.774SS**  33136127.168.40000124.4
599Q31.3Very low32.5Very low172 Ų172138.9 Ų138.980%0.80478%0.777SS**  trans161.9153.3135.6-80.6-106.911.500107
600M29.3Very low32.5Very low166 Ų166138.7 Ų138.782%0.81878%0.776SS**  cis-171.6171.8-26.9-142.5-177.1177.500106.1
601N33Very low32.6Very low154 Ų154137 Ų13782%0.82477%0.773SS**  trans-76.1166.3178.1-98.39.7000112.5
602P46.3Very low32.6Very low131 Ų131139.4 Ų139.485%0.85179%0.786SS**  -153.3-159.363.443.3-19.9000117.8
603S31.9Very low32.6Very low107 Ų107140.7 Ų140.775%0.74879%0.793SS**  trans-130.6153.9-153.755.80000116.2
604T30.8Very low32.6Very low126 Ų126136.7 Ų136.777%0.77380%0.796SS**  trans-156.6164.1156.347.70000108.4
605N29.7Very low32.5Very low157 Ų157132.2 Ų132.284%0.8479%0.794SS**  cis-156.4-179-21.5-102.4-1.9000109.1
606A30.9Very low32.9Very low85 Ų85135.8 Ų135.870%0.70280%0.803SS**  trans-112.9169.5173.400000112
607P45.2Very low33.1Very low131 Ų131139.7 Ų139.785%0.85180%0.801SS**  -143.7-166.585.539.1-21.4000114.9
608T33.9Very low33.3Very low140 Ų140133.9 Ų133.986%0.85979%0.794SS**  trans-133.9152.6-165.450.10000114.6
609A32.4Very low33.6Very low95 Ų95140.6 Ų140.679%0.78581%0.805SS**  trans-164.1116.9155.800000115.8
610N30.5Very low33.9Very low145 Ų145137.6 Ų137.678%0.77580%0.8SS**  trans55.2121.7136.7-74.7-31.4000126.1
611K33.3Very low34.3Very low186 Ų186135.8 Ų135.881%0.80980%0.801SS**  95.2147127.2-77.5-179.9177.9-179.60123
612S31.1Very low34.4Very low120 Ų120136.5 Ų136.584%0.83980%0.804SS**  trans83.6168.6163.978.40000118.3
613T32.9Very low33.6Very low132 Ų132139.1 Ų139.181%0.8181%0.805SS**  trans-137158.5-138.241.20000116.5
614S30.6Very low33.4Very low114 Ų114139.7 Ų139.780%0.79781%0.809SS**  trans84.9110.6161.180.20000119
615S30Very low33.4Very low99 Ų99140.8 Ų140.869%0.69281%0.809SS**  trans-174.7138.5132.939.10000108.9H617S615-H617 PolarHBondContact O-N 3.45Å
616L37.8Very low33.4Very low184 Ų184141.3 Ų141.396%0.96381%0.806SS**  trans-92.784.8-179.6-83.6166.3000110.4
617H33.9Very low33.7Very low160 Ų160140.3 Ų140.374%0.74180%0.803SS**PPolyproline II helixtrans-76.6149.8166.9-83.6-79.3000111.7S615S615-H617 PolarHBondContact O-N 3.45Å
618P33.9Very low33.2Very low116 Ų116144.5 Ų144.575%0.75380%0.802SS**PPolyproline II helixtrans-62.4147.4-178.5-2233.7000112.8
619R37.5Very low33.6Very low233 Ų233141.7 Ų141.788%0.87979%0.785SS**PPolyproline II helixtrans-60.1141.5166.7-81.9-175.4171.6-177.7-3109.9
620P38Very low34.1Very low108 Ų108141.7 Ų141.770%0.70177%0.772SS**PPolyproline II helixtrans-60.9150.4169.628-34.9000110.4L622P620-L622 PolarHBondContact O-N 3.25Å
621P37.5Very low35Very low128 Ų128136.9 Ų136.983%0.83174%0.743SS**PPolyproline II helixtrans-62.8126.1179.225.9-33.7000110.6Q623P621-Q623 PolarHBondContact O-N 3.33Å
622L34.8Very low35.7Very low169 Ų169131.5 Ų131.589%0.88573%0.728SS**PPolyproline II helixtrans-61.6132.5172.2-78.2162000109.8P620P620-L622 PolarHBondContact O-N 3.25Å
623Q28.2Very low36.6Very low186 Ų186129.3 Ų129.387%0.86972%0.718SS**PPolyproline II helixtrans-58.4139176.2-73.3-176.9-18.700111.2P621 I625P621-Q623 PolarHBondContact O-N 3.33Å; Q623-I625 PolarHBondContact O-N 2.95Å; Q623-I625 VanDerWaalsContact O-N 3.1Å
624S28.4Very low37.6Very low120 Ų120126 Ų12684%0.83969%0.692SS**  trans-73.899.8-17544.60000112H626S624-H626 PolarHBondContact O-N 3.37Å
625I30.6Very low38.7Very low148 Ų148123.2 Ų123.276%0.75967%0.665SS**  trans-62.1126.5169.5-60.2177.9000109.1Q623 R628Q623-I625 PolarHBondContact O-N 2.95Å; Q623-I625 VanDerWaalsContact O-N 3.1Å; I625-R628 PolarHBondContact O-N 3.04Å
626H29.3Very low39.3Very low169 Ų169120.8 Ų120.878%0.78266%0.655SS**THydrogen-bonded Turntrans-57.7136.4-166.1-146.781.8000112.8S624 R628S624-H626 PolarHBondContact O-N 3.37Å; H626-R628 PolarHBondContact O-N 3.47Å
627G37.3Very low39.2Very low63 Ų63121.7 Ų121.765%0.64965%0.654SS**THydrogen-bonded Turntrans87.3-13.1177.400000116.5T629G627-T629 PolarHBondContact O-N 2.93Å; G627-T629 VanDerWaalsContact O-N 3.09Å
628R34.6Very low39.3Very low219 Ų219123.8 Ų123.883%0.82666%0.655SS**  trans-86.175.1178.2-165.1176.9-174.2159.81.7112.4I625 H626 D630I625-R628 PolarHBondContact O-N 3.04Å; H626-R628 PolarHBondContact O-N 3.47Å; R628-D630 PolarHBondContact O-N 3.04Å
629T43Very low39.5Very low81 Ų81124.2 Ų124.250%0.49765%0.651SS.*  trans-62.9121.5165-590000109G627 W631G627-T629 PolarHBondContact O-N 2.93Å; G627-T629 VanDerWaalsContact O-N 3.09Å; T629-W631 HydrophobicContact CG2-CD2 3.91Å; T629-W631 HydrophobicContact CG2-CE3 4.3Å; T629-W631 HydrophobicContact CG2-CG 4.39Å; T629-W631 HydrophobicContact CG2-CH2 4.11Å; T629-W631 HydrophobicContact CG2-CZ2 3.71Å; T629-W631 HydrophobicContact CG2-CZ3 4.39Å; T629-W631 PolarHBondContact O-N 3.28Å; T629-W631 VanDerWaalsContact O-N 3.1Å; T629-W631 PolarHBondContact O-NE1 3.39Å
630D43.1Very low39.6Very low96 Ų96118.4 Ų118.451%0.51364%0.639SS.*  trans-82.286.7173.2-166.6-5.8000110.5R628 S632 A633 K634R628-D630 PolarHBondContact O-N 3.04Å; D630-S632 PolarHBondContact O-N 3.45Å; D630-S632 VanDerWaalsContact O-N 3.14Å; D630-S632 WeakPolarHBondContact OD1-CB 3.48Å; D630-S632 PolarHBondContact OD1-N 3.06Å; D630-S632 PolarHBondContact OD1-OG 3.36Å; D630-A633 HydrophobicContact CB-CB 4.38Å; D630-A633 PolarHBondContact O-N 2.86Å; D630-A633 VanDerWaalsContact O-N 3.1Å; D630-K634 PolarHBondContact O-N 3.27Å
631W48.8Very low39.7Very low44 Ų44119 Ų11917%0.16764%0.635CS.*Hα-helixtrans-56.9-25176.7-59.297.8000112.9E129 T162 W164 T629 K634E129-W631 VanDerWaalsContact OE1-CZ3 3.28Å; E129-W631 WeakPolarHBondContact OE1-CZ3 3.43Å; T162-W631 HydrophobicContact CG2-CD2 3.84Å; T162-W631 HydrophobicContact CG2-CE3 4.08Å; T162-W631 HydrophobicContact CG2-CG 4.2Å; T162-W631 HydrophobicContact CG2-CZ2 4.5Å; T162-W631 WeakPolarHBondContact OG1-CH2 3.43Å; T162-W631 WeakPolarHBondContact OG1-CZ2 3.43Å; W164-W631 HydrophobicContact CH2-CB 3.71Å; W164-W631 WeakPolarHBondContact CH2-O 3.33Å; W164-W631 HydrophobicContact CZ2-CB 3.38Å; W164-W631 HydrophobicContact CZ3-CB 4.44Å; T629-W631 HydrophobicContact CG2-CD2 3.91Å; T629-W631 HydrophobicContact CG2-CE3 4.3Å; T629-W631 HydrophobicContact CG2-CG 4.39Å; T629-W631 HydrophobicContact CG2-CH2 4.11Å; T629-W631 HydrophobicContact CG2-CZ2 3.71Å; T629-W631 HydrophobicContact CG2-CZ3 4.39Å; T629-W631 PolarHBondContact O-N 3.28Å; T629-W631 VanDerWaalsContact O-N 3.1Å; T629-W631 PolarHBondContact O-NE1 3.39Å; W631-K634 HydrophobicContact CE3-CD 3.78Å; W631-K634 HydrophobicContact CZ3-CD 3.81Å; W631-K634 WeakPolarHBondContact O-CB 3.31Å; W631-K634 PolarHBondContact O-N 3.2Å
632S48.2Very low39.9Very low72 Ų72118.5 Ų118.550%0.50362%0.624SS.*Hα-helixtrans-65.2-40.7176.3-19.90000111.8D630 K634D630-S632 PolarHBondContact O-N 3.45Å; D630-S632 VanDerWaalsContact O-N 3.14Å; D630-S632 WeakPolarHBondContact OD1-CB 3.48Å; D630-S632 PolarHBondContact OD1-N 3.06Å; D630-S632 PolarHBondContact OD1-OG 3.36Å; S632-K634 VanDerWaalsContact C-N 3.3Å; S632-K634 PolarHBondContact O-N 3.14Å
633A50.3Low40.2Very low75 Ų75115.3 Ų115.362%0.6261%0.607SS**Hα-helixtrans-71.8-25.4176.100000112.7D630 Y635D630-A633 HydrophobicContact CB-CB 4.38Å; D630-A633 PolarHBondContact O-N 2.86Å; D630-A633 VanDerWaalsContact O-N 3.1Å; A633-Y635 VanDerWaalsContact C-N 3.31Å; A633-Y635 PolarHBondContact O-N 3.06Å
634K53.8Low41Very low61 Ų61110.6 Ų110.627%0.26559%0.59SS.*Hα-helixtrans-67.4-29.4-177.9-151.8-149.1-172.4-155.70113Y87 E129 D630 W631 S632Y87-K634 HydrophobicContact CE1-CD 4.17Å; Y87-K634 HydrophobicContact CE2-CD 3.88Å; Y87-K634 WeakPolarHBondContact OH-CG 3.45Å; Y87-K634 PolarHBondContact OH-O 3.15Å; Y87-K634 VanDerWaalsContact OH-O 3.1Å; E129-K634 IonicContact OE1-NZ 3.78Å; E129-K634 PolarHBondContact OE1-NZ 3.44Å; D630-K634 PolarHBondContact O-N 3.27Å; W631-K634 HydrophobicContact CE3-CD 3.78Å; W631-K634 HydrophobicContact CZ3-CD 3.81Å; W631-K634 WeakPolarHBondContact O-CB 3.31Å; W631-K634 PolarHBondContact O-N 3.2Å; S632-K634 VanDerWaalsContact C-N 3.3Å; S632-K634 PolarHBondContact O-N 3.14Å
635Y53.7Low41.9Very low56 Ų56109.9 Ų109.922%0.2257%0.572CS.*THydrogen-bonded Turntrans-112.950.5178.2-64.2-105.6000110.6Y87 W164 Y165 E192 P198 A633Y87-Y635 HydrophobicContact CD2-CE1 4.2Å; Y87-Y635 HydrophobicContact CD2-CE2 4.41Å; Y87-Y635 AromaticContact CD2-CZ 3.73Å; Y87-Y635 VanDerWaalsContact CD2-OH 3.26Å; Y87-Y635 WeakPolarHBondContact CD2-OH 3.28Å; Y87-Y635 HydrophobicContact CE2-CD1 4.41Å; Y87-Y635 AromaticContact CE2-CE1 3.72Å; Y87-Y635 HydrophobicContact CE2-CE1 3.72Å; Y87-Y635 AromaticContact CE2-CE2 3.81Å; Y87-Y635 HydrophobicContact CE2-CE2 3.81Å; Y87-Y635 AromaticContact CE2-CZ 3.39Å; Y87-Y635 WeakPolarHBondContact CE2-OH 3.44Å; W164-Y635 HydrophobicContact CE3-CE2 4.29Å; W164-Y635 AromaticContact CH2-CD2 3.64Å; W164-Y635 HydrophobicContact CH2-CD2 3.64Å; W164-Y635 AromaticContact CH2-CE2 3.86Å; W164-Y635 HydrophobicContact CH2-CE2 3.86Å; W164-Y635 HydrophobicContact CH2-CG 4.45Å; W164-Y635 AromaticContact CZ3-CD2 3.51Å; W164-Y635 HydrophobicContact CZ3-CD2 3.51Å; W164-Y635 AromaticContact CZ3-CE2 3.28Å; W164-Y635 HydrophobicContact CZ3-CE2 3.28Å; W164-Y635 HydrophobicContact CZ3-CG 4.3Å; W164-Y635 AromaticContact CZ3-CZ 3.89Å; Y165-Y635 PolarHBondContact OH-OH 3.3Å; E192-Y635 PolarHBondContact OE1-OH 3.42Å; P198-Y635 HydrophobicContact CG-CD1 4.26Å; P198-Y635 HydrophobicContact CG-CE1 4.27Å; A633-Y635 VanDerWaalsContact C-N 3.31Å; A633-Y635 PolarHBondContact O-N 3.06Å
636G41.8Very low42.7Very low48 Ų48107 Ų10750%0.49556%0.558SS.*  trans-51.7141.6-176.800000113.8R638G636-R638 PolarHBondContact O-N 2.98Å
637H36.2Very low43.9Very low203 Ų203101.8 Ų101.894%0.9454%0.539SS*.  trans-30109.7-165.9-60.2-69.7000116.5
638R35.9Very low44.5Very low204 Ų204105.4 Ų105.477%0.7753%0.529SS*.  trans-141.80166.9-76.1-171.3178.6-176.13.1110.6K91 R93 R197 G636K91-R638 PolarHBondContact O-NH1 3.43Å; R93-R638 PolarHBondContact O-NH1 3.21Å; R93-R638 VanDerWaalsContact O-NH1 3.08Å; R197-R638 PolarHBondContact NE-O 2.63Å; R197-R638 PolarHBondContact NH2-O 2.69Å; R197-R638 PolarHBondContact NH2-OXT 2.87Å; G636-R638 PolarHBondContact O-N 2.98Å

Retrieved 638 of 638 residues in 449.1 ms (Link to these results)

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