Z4YHY2_DANRE Loading...

Serine/threonine-protein kinase

Proto-oncogene with serine/threonine kinase activity involved in cell survival and cell proliferation.

AlphaFold DB , UniProt , Accession Z4YHY2, Species DANRE (Danio rerio, Zebrafish), Gene pim2, Length 310 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
1M45.6Very low46.2Very low244 Ų244132.7 Ų132.7100%1.20264%0.638SS**  097.40-87.5178.6-98.300107.2
2L42Very low46.2Very low167 Ų167129.1 Ų129.187%0.87463%0.625SS**  trans-66.5130.5172.9-81.2148.3000107.9K4L2-K4 PolarHBondContact O-N 3.25Å; L2-K4 VanDerWaalsContact O-N 3.17Å
3D44.9Very low45.8Very low77 Ų77128 Ų12841%0.41262%0.618SS.*  trans-58.7114.2-169.6-164.5-12.5000110.5R5 I6D3-R5 PolarHBondContact O-N 2.9Å; D3-R5 PolarHBondContact OD1-N 3.34Å; D3-R5 IonicContact OD1-NE 3.61Å; D3-I6 HydrophobicContact CB-CD1 4.08Å; D3-I6 HydrophobicContact CB-CG1 4.17Å; D3-I6 PolarHBondContact O-N 3.04Å
4K48.3Very low45.6Very low172 Ų172125.4 Ų125.475%0.74861%0.608SS**Hα-helixtrans-51.3-30.5179-82.9-176.9170.9-175.50111.9L2 I6 V7 D8L2-K4 PolarHBondContact O-N 3.25Å; L2-K4 VanDerWaalsContact O-N 3.17Å; K4-I6 VanDerWaalsContact C-N 3.32Å; K4-I6 PolarHBondContact O-N 3.2Å; K4-V7 PolarHBondContact O-N 3.38Å; K4-D8 PolarHBondContact O-N 3.17Å
5R44.9Very low45.4Very low189 Ų189125.3 Ų125.371%0.71361%0.606SS**Hα-helixtrans-64.5-30.2176.7-73.4-178.2-88.1-162.5-8.9114.1D3 V9D3-R5 PolarHBondContact O-N 2.9Å; D3-R5 PolarHBondContact OD1-N 3.34Å; D3-R5 IonicContact OD1-NE 3.61Å; R5-V9 WeakPolarHBondContact O-CG2 3.37Å; R5-V9 PolarHBondContact O-N 3.34Å
6I46.8Very low45.1Very low106 Ų106125 Ų12554%0.54461%0.607SS.*Hα-helixtrans-77.9-31.2176.6-63.3175.6000110.8D3 K4 R10D3-I6 HydrophobicContact CB-CD1 4.08Å; D3-I6 HydrophobicContact CB-CG1 4.17Å; D3-I6 PolarHBondContact O-N 3.04Å; K4-I6 VanDerWaalsContact C-N 3.32Å; K4-I6 PolarHBondContact O-N 3.2Å; I6-R10 PolarHBondContact O-N 2.8Å
7V50.6Low44.8Very low74 Ų74123 Ų12345%0.44860%0.599SS.*Hα-helixtrans-73.8-43.8177.4-173.90000110.5K4 R10 L11K4-V7 PolarHBondContact O-N 3.38Å; V7-R10 PolarHBondContact O-N 3.01Å; V7-L11 HydrophobicContact CG1-CD1 3.99Å; V7-L11 WeakPolarHBondContact O-CG 3.2Å; V7-L11 PolarHBondContact O-N 3.13Å
8D44.4Very low44.8Very low88 Ų88124.3 Ų124.347%0.47160%0.601SS.*Hα-helixtrans-65.2-43.7178.2-72-22.7000111.9K4 R10 L11 D12K4-D8 PolarHBondContact O-N 3.17Å; D8-R10 VanDerWaalsContact C-N 3.29Å; D8-R10 PolarHBondContact O-N 2.83Å; D8-L11 PolarHBondContact O-N 2.97Å; D8-L11 VanDerWaalsContact O-N 3.13Å; D8-D12 WeakPolarHBondContact O-CB 3.27Å; D8-D12 PolarHBondContact O-N 3.33Å
9V46.8Very low44.7Very low82 Ų82120.8 Ų120.850%0.49760%0.595SS.*Hα-helixtrans-62.9-34.1176.1172.10000112.4R5 Q13R5-V9 WeakPolarHBondContact O-CG2 3.37Å; R5-V9 PolarHBondContact O-N 3.34Å; V9-Q13 WeakPolarHBondContact O-CB 3.48Å; V9-Q13 VanDerWaalsContact O-CG 3.29Å; V9-Q13 WeakPolarHBondContact O-CG 3.37Å; V9-Q13 PolarHBondContact O-N 3.32Å
10R48.4Very low45.2Very low175 Ų175121.2 Ų121.266%0.6659%0.593SS**Hα-helixtrans-71.9-36.7174.5-89.9-177.4170.6-176.6-1.9112.4I6 V7 D8 L14I6-R10 PolarHBondContact O-N 2.8Å; V7-R10 PolarHBondContact O-N 3.01Å; D8-R10 VanDerWaalsContact C-N 3.29Å; D8-R10 PolarHBondContact O-N 2.83Å; R10-L14 VanDerWaalsContact O-CB 3.3Å; R10-L14 WeakPolarHBondContact O-CB 3.39Å; R10-L14 WeakPolarHBondContact O-CD1 3.26Å; R10-L14 WeakPolarHBondContact O-CG 3.46Å; R10-L14 PolarHBondContact O-N 3.09Å
11L45.4Very low46.2Very low86 Ų86117.5 Ų117.545%0.4558%0.576SS.*Hα-helixtrans-69.5-42.3176.2-75.6166.4000111V7 D8 L14 E15V7-L11 HydrophobicContact CG1-CD1 3.99Å; V7-L11 WeakPolarHBondContact O-CG 3.2Å; V7-L11 PolarHBondContact O-N 3.13Å; D8-L11 PolarHBondContact O-N 2.97Å; D8-L11 VanDerWaalsContact O-N 3.13Å; L11-L14 CarbonylContact O-C 3.55Å; L11-L14 WeakPolarHBondContact O-CB 3.11Å; L11-L14 PolarHBondContact O-N 3.3Å; L11-E15 WeakPolarHBondContact O-CB 3.47Å; L11-E15 WeakPolarHBondContact O-CG 3.21Å; L11-E15 PolarHBondContact O-N 3.27Å
12D45.7Very low47.7Very low89 Ų89106.6 Ų106.648%0.47653%0.526SS..Hα-helixtrans-64.3-40.6174.7-70.5-15.2000111.3D8 E15 I16D8-D12 WeakPolarHBondContact O-CB 3.27Å; D8-D12 PolarHBondContact O-N 3.33Å; D12-E15 PolarHBondContact O-N 3.3Å; D12-I16 VanDerWaalsContact O-CB 3.27Å; D12-I16 WeakPolarHBondContact O-CB 3.5Å; D12-I16 WeakPolarHBondContact O-CD1 3.42Å; D12-I16 WeakPolarHBondContact O-CG1 3.36Å; D12-I16 PolarHBondContact O-N 2.95Å
13Q42.1Very low49.8Very low115 Ų115104.6 Ų104.654%0.53751%0.51SS..Hα-helixtrans-66.2-37172.7-77.3178.1-1.900112.3V9 L17V9-Q13 WeakPolarHBondContact O-CB 3.48Å; V9-Q13 VanDerWaalsContact O-CG 3.29Å; V9-Q13 WeakPolarHBondContact O-CG 3.37Å; V9-Q13 PolarHBondContact O-N 3.32Å; Q13-L17 WeakPolarHBondContact O-CB 3.44Å; Q13-L17 VanDerWaalsContact O-CD1 3.31Å; Q13-L17 WeakPolarHBondContact O-CD1 3.29Å; Q13-L17 WeakPolarHBondContact O-CG 3.26Å; Q13-L17 PolarHBondContact O-N 3.36Å
14L42.6Very low51.8Low91 Ų91107.5 Ų107.548%0.47652%0.521SS..Hα-helixtrans-69.2-33.6173.5-85.7158.6000112.4R10 L11 K18R10-L14 VanDerWaalsContact O-CB 3.3Å; R10-L14 WeakPolarHBondContact O-CB 3.39Å; R10-L14 WeakPolarHBondContact O-CD1 3.26Å; R10-L14 WeakPolarHBondContact O-CG 3.46Å; R10-L14 PolarHBondContact O-N 3.09Å; L11-L14 CarbonylContact O-C 3.55Å; L11-L14 WeakPolarHBondContact O-CB 3.11Å; L11-L14 PolarHBondContact O-N 3.3Å; L14-K18 WeakPolarHBondContact O-CB 3.16Å; L14-K18 WeakPolarHBondContact O-CG 3.3Å; L14-K18 PolarHBondContact O-N 2.65Å
15E42Very low53.8Low125 Ų125102.2 Ų102.258%0.58450%0.499SS*.Hα-helixtrans-75.2-37.7174.5-77.8-167.9167.200111.9L11 D12 K18 A19L11-E15 WeakPolarHBondContact O-CB 3.47Å; L11-E15 WeakPolarHBondContact O-CG 3.21Å; L11-E15 PolarHBondContact O-N 3.27Å; D12-E15 PolarHBondContact O-N 3.3Å; E15-K18 CarbonylContact O-C 3.5Å; E15-K18 WeakPolarHBondContact O-CB 3.47Å; E15-K18 PolarHBondContact O-N 2.88Å; E15-A19 VanDerWaalsContact O-CB 3.26Å; E15-A19 WeakPolarHBondContact O-CB 3.45Å; E15-A19 PolarHBondContact O-N 3.44Å
16I40.6Very low56.1Low120 Ų12093.7 Ų93.762%0.61547%0.467SS*.Hα-helixtrans-67.9-36.2172-68.4164.1000110.9D12 A19D12-I16 VanDerWaalsContact O-CB 3.27Å; D12-I16 WeakPolarHBondContact O-CB 3.5Å; D12-I16 WeakPolarHBondContact O-CD1 3.42Å; D12-I16 WeakPolarHBondContact O-CG1 3.36Å; D12-I16 PolarHBondContact O-N 2.95Å; I16-A19 WeakPolarHBondContact O-CB 3.21Å; I16-A19 PolarHBondContact O-N 2.92Å
17L40.9Very low58.4Low91 Ų9193.4 Ų93.448%0.47646%0.464SS..Hα-helixtrans-70.7-33.4171.3-78.5160.4000112.1Q13 A19Q13-L17 WeakPolarHBondContact O-CB 3.44Å; Q13-L17 VanDerWaalsContact O-CD1 3.31Å; Q13-L17 WeakPolarHBondContact O-CD1 3.29Å; Q13-L17 WeakPolarHBondContact O-CG 3.26Å; Q13-L17 PolarHBondContact O-N 3.36Å; L17-A19 VanDerWaalsContact C-N 3.29Å
18K43.7Very low60.5Low147 Ų14796.9 Ų96.964%0.63947%0.473SS*.Hα-helixtrans-68-27.8168.1-78.2170.8179-179.80112.3L14 E15 K20 N21L14-K18 WeakPolarHBondContact O-CB 3.16Å; L14-K18 WeakPolarHBondContact O-CG 3.3Å; L14-K18 PolarHBondContact O-N 2.65Å; E15-K18 CarbonylContact O-C 3.5Å; E15-K18 WeakPolarHBondContact O-CB 3.47Å; E15-K18 PolarHBondContact O-N 2.88Å; K18-K20 VanDerWaalsContact C-N 3.27Å; K18-K20 PolarHBondContact O-N 2.82Å; K18-N21 PolarHBondContact O-N 2.94Å; K18-N21 VanDerWaalsContact O-N 3.14Å
19A44.4Very low63Low58 Ų5895.7 Ų95.748%0.47946%0.464SS..THydrogen-bonded Turntrans-75-4.4-173.100000115.4E15 I16 L17 N21E15-A19 VanDerWaalsContact O-CB 3.26Å; E15-A19 WeakPolarHBondContact O-CB 3.45Å; E15-A19 PolarHBondContact O-N 3.44Å; I16-A19 WeakPolarHBondContact O-CB 3.21Å; I16-A19 PolarHBondContact O-N 2.92Å; L17-A19 VanDerWaalsContact C-N 3.29Å; A19-N21 VanDerWaalsContact C-N 3.34Å
20K53.2Low65.4Low128 Ų12892.2 Ų92.256%0.55744%0.442SS*.THydrogen-bonded Turntrans-81.7-12.5167-81.9-170172.5-172.20113.8K18 H25K18-K20 VanDerWaalsContact C-N 3.27Å; K18-K20 PolarHBondContact O-N 2.82Å; K20-H25 PolarHBondContact O-CD2 3.25Å
21N66.6Low67.8Low44 Ų4487.7 Ų87.724%0.23543%0.434CS..  trans-118138.1-168.1-65.7-13.7000110.9K18 A19 E110K18-N21 PolarHBondContact O-N 2.94Å; K18-N21 VanDerWaalsContact O-N 3.14Å; A19-N21 VanDerWaalsContact C-N 3.34Å; N21-E110 HydrophobicContact CB-CB 4.39Å
22G76.7Confident70.2Confident14 Ų1486.5 Ų86.514%0.14443%0.427CS..SBendtrans123.1153.8175.900000114.5E24 H25 F26 E110G22-E24 VanDerWaalsContact C-N 3.3Å; G22-E24 PolarHBondContact O-N 3Å; G22-H25 PolarHBondContact O-N 3.26Å; G22-F26 PolarHBondContact O-N 3.26Å; G22-E110 PolarHBondContact N-O 3.34Å
23K85.9Confident72.6Confident125 Ų12583.9 Ų83.954%0.54342%0.421SS..Hα-helixtrans-55-41.6-175.7-176.7172.8172.4174.90113H25 F26 E27 I111K23-H25 VanDerWaalsContact C-N 3.29Å; K23-H25 PolarHBondContact O-N 3.22Å; K23-F26 PolarHBondContact O-N 3.23Å; K23-E27 WeakPolarHBondContact CE-OE1 3.48Å; K23-E27 HydrophobicContact CG-CG 4.26Å; K23-E27 IonicContact NZ-OE1 3.64Å; K23-E27 WeakPolarHBondContact O-CB 3.21Å; K23-E27 WeakPolarHBondContact O-CG 3.31Å; K23-E27 PolarHBondContact O-N 3.25Å; K23-I111 HydrophobicContact CB-CD1 4.1Å
24E88.1Confident75.2Confident139 Ų13984.7 Ų84.765%0.6543%0.429SS*.Hα-helixtrans-62.4-33.8178.3-65.9-175.6-175.700113.3G22 K28G22-E24 VanDerWaalsContact C-N 3.3Å; G22-E24 PolarHBondContact O-N 3Å; E24-K28 WeakPolarHBondContact O-CB 3.45Å; E24-K28 WeakPolarHBondContact O-CD 3.35Å; E24-K28 WeakPolarHBondContact O-CG 3.19Å; E24-K28 PolarHBondContact O-N 2.87Å; E24-K28 VanDerWaalsContact O-N 3.12Å
25H89.6Confident77.7Confident61 Ų6184.5 Ų84.528%0.28243%0.428SS..Hα-helixtrans-72.8-40.8179.9-169.955.9000111.1K20 G22 K23 K28 Q29 F109K20-H25 PolarHBondContact O-CD2 3.25Å; G22-H25 PolarHBondContact O-N 3.26Å; K23-H25 VanDerWaalsContact C-N 3.29Å; K23-H25 PolarHBondContact O-N 3.22Å; H25-K28 PolarHBondContact O-N 2.86Å; H25-Q29 PolarHBondContact CE1-NE2 3.17Å; H25-Q29 VanDerWaalsContact CE1-NE2 3.26Å; H25-Q29 PolarHBondContact NE2-NE2 2.92Å; H25-F109 AromaticContact CD2-CD1 3.92Å; H25-F109 AromaticContact CD2-CE1 3.47Å; H25-F109 VanDerWaalsContact CD2-CE1 3.47Å; H25-F109 WeakPolarHBondContact CD2-CE1 3.47Å
26F93.9Very high80.1Confident10 Ų1083 Ų834%0.04442%0.423CS..Hα-helixtrans-59.8-51171.2169.2-100.6000111.1G22 K23 K28 Q29 Y30 M32 I58 F109 L117 V119G22-F26 PolarHBondContact O-N 3.26Å; K23-F26 PolarHBondContact O-N 3.23Å; F26-K28 PolarHBondContact O-N 2.81Å; F26-Q29 PolarHBondContact O-N 2.75Å; F26-Y30 HydrophobicContact CD2-CD2 4.1Å; F26-Y30 HydrophobicContact CD2-CG 4.48Å; F26-Y30 HydrophobicContact CE2-CD2 4.21Å; F26-Y30 HydrophobicContact CE2-CG 4.17Å; F26-Y30 PolarHBondContact O-N 2.85Å; F26-M32 HydrophobicContact CE1-CB 4.36Å; F26-M32 HydrophobicContact CE1-CE 4.37Å; F26-M32 HydrophobicContact CZ-CB 4.29Å; F26-M32 HydrophobicContact CZ-CE 4.1Å; F26-I58 HydrophobicContact CE2-CD1 4.18Å; F26-I58 HydrophobicContact CE2-CG1 4.41Å; F26-I58 HydrophobicContact CE2-CG2 4.2Å; F26-I58 HydrophobicContact CZ-CD1 3.83Å; F26-I58 HydrophobicContact CZ-CG1 4.48Å; F26-I58 HydrophobicContact CZ-CG2 4.29Å; F26-F109 HydrophobicContact CB-CB 4.49Å; F26-F109 HydrophobicContact CB-CD1 3.89Å; F26-F109 HydrophobicContact CB-CD2 4.28Å; F26-F109 HydrophobicContact CB-CE1 4.16Å; F26-F109 HydrophobicContact CB-CG 3.95Å; F26-F109 AromaticContact CD2-CD2 3.7Å; F26-F109 HydrophobicContact CD2-CD2 3.7Å; F26-F109 AromaticContact CD2-CE2 3.8Å; F26-F109 HydrophobicContact CD2-CE2 3.8Å; F26-F109 HydrophobicContact CD2-CG 4.22Å; F26-F109 HydrophobicContact CD2-CZ 4.36Å; F26-F109 HydrophobicContact CG-CD2 4.45Å; F26-L117 HydrophobicContact CB-CD1 4.32Å; F26-L117 HydrophobicContact CD1-CD1 3.8Å; F26-L117 HydrophobicContact CD2-CD1 3.77Å; F26-L117 HydrophobicContact CE1-CD1 4.03Å; F26-L117 HydrophobicContact CE2-CD1 3.99Å; F26-L117 HydrophobicContact CG-CD1 3.67Å; F26-L117 HydrophobicContact CZ-CD1 4.12Å; F26-V119 HydrophobicContact CE2-CG2 4.38Å
27E94.8Very high82.4Confident100 Ų10078.8 Ų78.847%0.46741%0.41SS..Hα-helixtrans-65.6-22.3-177.1-71.7176.1160.400113.7K23 Q29 I50K23-E27 WeakPolarHBondContact CE-OE1 3.48Å; K23-E27 HydrophobicContact CG-CG 4.26Å; K23-E27 IonicContact NZ-OE1 3.64Å; K23-E27 WeakPolarHBondContact O-CB 3.21Å; K23-E27 WeakPolarHBondContact O-CG 3.31Å; K23-E27 PolarHBondContact O-N 3.25Å; E27-Q29 VanDerWaalsContact C-N 3.32Å; E27-I50 VanDerWaalsContact O-CD1 3.26Å; E27-I50 WeakPolarHBondContact O-CD1 3.42Å
28K95.4Very high84.6Confident147 Ų14778.6 Ų78.664%0.63942%0.416SS*.Hα-helixtrans-74-21.8171.5-78169.6-172.5170.90113.5E24 H25 F26E24-K28 WeakPolarHBondContact O-CB 3.45Å; E24-K28 WeakPolarHBondContact O-CD 3.35Å; E24-K28 WeakPolarHBondContact O-CG 3.19Å; E24-K28 PolarHBondContact O-N 2.87Å; E24-K28 VanDerWaalsContact O-N 3.12Å; H25-K28 PolarHBondContact O-N 2.86Å; F26-K28 PolarHBondContact O-N 2.81Å
29Q96.4Very high86.3Confident63 Ų6373.7 Ų73.729%0.29441%0.407SS..Hα-helixtrans-111.7-30.9-174.2-65.8-168.973.300113.1H25 F26 E27 R49 I50H25-Q29 PolarHBondContact CE1-NE2 3.17Å; H25-Q29 VanDerWaalsContact CE1-NE2 3.26Å; H25-Q29 PolarHBondContact NE2-NE2 2.92Å; F26-Q29 PolarHBondContact O-N 2.75Å; E27-Q29 VanDerWaalsContact C-N 3.32Å; Q29-R49 WeakPolarHBondContact O-CA 3.48Å; Q29-I50 PolarHBondContact O-N 2.97Å
30Y97.8Very high87.7Confident8 Ų874.2 Ų74.23%0.03142%0.418CS..EExtended strand (participates in β ladder)trans-137.8146.8-173.1-59.6-82.1000111.4F26 H48 R49 V56 D107 F109 V119F26-Y30 HydrophobicContact CD2-CD2 4.1Å; F26-Y30 HydrophobicContact CD2-CG 4.48Å; F26-Y30 HydrophobicContact CE2-CD2 4.21Å; F26-Y30 HydrophobicContact CE2-CG 4.17Å; F26-Y30 PolarHBondContact O-N 2.85Å; Y30-H48 CarbonylContact C-O 3.56Å; Y30-H48 WeakPolarHBondContact CA-O 3.47Å; Y30-R49 HydrophobicContact CD1-CB 3.82Å; Y30-R49 HydrophobicContact CD1-CG 4.11Å; Y30-R49 HydrophobicContact CE1-CB 3.63Å; Y30-R49 HydrophobicContact CE1-CG 3.68Å; Y30-V56 HydrophobicContact CD1-CG2 4.08Å; Y30-V56 HydrophobicContact CE1-CG1 4.3Å; Y30-D107 HydrophobicContact CE2-CB 4.24Å; Y30-F109 AromaticContact CD2-CE2 3.8Å; Y30-F109 HydrophobicContact CD2-CE2 3.8Å; Y30-F109 AromaticContact CD2-CZ 3.85Å; Y30-F109 HydrophobicContact CD2-CZ 3.85Å; Y30-F109 AromaticContact CE2-CE2 3.68Å; Y30-F109 HydrophobicContact CE2-CE2 3.68Å; Y30-F109 AromaticContact CE2-CZ 3.66Å; Y30-F109 HydrophobicContact CE2-CZ 3.66Å; Y30-V119 HydrophobicContact CD1-CG1 4.05Å; Y30-V119 HydrophobicContact CD2-CG2 4.24Å; Y30-V119 HydrophobicContact CE1-CG1 3.65Å; Y30-V119 HydrophobicContact CE2-CG2 4.16Å
31T97.4Very high88.6Confident80 Ų8071.3 Ų71.349%0.49141%0.406SS..EExtended strand (participates in β ladder)trans-110.7123.3167.9-55.20000108.8G47 H48T31-G47 CarbonylContact O-C 3.14Å; T31-G47 WeakPolarHBondContact O-CA 3.27Å; T31-H48 PolarHBondContact N-O 2.92Å; T31-H48 PolarHBondContact O-N 3.34Å
32M96.7Very high89.6Confident62 Ų6269.5 Ų69.531%0.30540%0.398SS..EExtended strand (participates in β ladder)trans-79.7139173.9-170.5175.5-78.400110.3F26 Y45 I58 L117F26-M32 HydrophobicContact CE1-CB 4.36Å; F26-M32 HydrophobicContact CE1-CE 4.37Å; F26-M32 HydrophobicContact CZ-CB 4.29Å; F26-M32 HydrophobicContact CZ-CE 4.1Å; M32-Y45 HydrophobicContact CE-CD2 4.23Å; M32-Y45 HydrophobicContact CE-CG 4.46Å; M32-Y45 HydrophobicContact CG-CD1 4.18Å; M32-Y45 HydrophobicContact CG-CG 3.9Å; M32-Y45 HydrophobicContact SD-CD1 4.06Å; M32-Y45 HydrophobicContact SD-CD2 3.92Å; M32-Y45 HydrophobicContact SD-CE2 4.38Å; M32-Y45 HydrophobicContact SD-CG 3.76Å; M32-I58 HydrophobicContact CB-CD1 4.2Å; M32-I58 HydrophobicContact CE-CB 4.2Å; M32-I58 HydrophobicContact CE-CD1 4.47Å; M32-I58 HydrophobicContact CE-CG2 3.55Å; M32-I58 HydrophobicContact CG-CD1 4.29Å; M32-L117 HydrophobicContact CE-CD2 4.13Å
33G96.6Very high90.4Very high33 Ų3370.2 Ų70.234%0.3440%0.4SS..EExtended strand (participates in β ladder)trans-115.5-147.4-179.600000112.4S46G33-S46 WeakPolarHBondContact CA-O 3.39Å; G33-S46 PolarHBondContact N-O 2.87Å
34N96.3Very high90.9Very high132 Ų13266.4 Ų66.471%0.70639%0.387SS*.EExtended strand (participates in β ladder)trans-69.4149.3-177.3-62.2-26000112L36 Y45 S46N34-L36 PolarHBondContact O-N 2.96Å; N34-Y45 WeakPolarHBondContact O-CA 3.36Å; N34-S46 PolarHBondContact N-OG 3.05Å; N34-S46 PolarHBondContact O-N 2.82Å; N34-S46 PolarHBondContact O-OG 3.16Å
35L95.9Very high91.3Very high88 Ų8862.2 Ų62.246%0.46137%0.366SS..EExtended strand (participates in β ladder)trans-59.3130.4169.3-174.671.2000109.7G37 V44 Y45L35-G37 WeakPolarHBondContact CD1-O 3.33Å; L35-V44 WeakPolarHBondContact CD1-O 3.47Å; L35-Y45 HydrophobicContact CB-CD1 4.13Å; L35-Y45 HydrophobicContact CB-CE1 3.99Å; L35-Y45 HydrophobicContact CD1-CD1 4.14Å; L35-Y45 HydrophobicContact CD1-CD2 4.44Å; L35-Y45 HydrophobicContact CD1-CE1 3.74Å; L35-Y45 HydrophobicContact CD1-CE2 4.06Å; L35-Y45 HydrophobicContact CD1-CG 4.46Å; L35-Y45 HydrophobicContact CG-CE1 4.48Å
36L91.1Very high91.7Very high92 Ų9260.5 Ų60.548%0.48236%0.361SS..EExtended strand (participates in β ladder)trans-95.4-38.8173.1-64.2175.6000111.1N34 V44 K122N34-L36 PolarHBondContact O-N 2.96Å; L36-V44 WeakPolarHBondContact CB-O 3.3Å; L36-V44 HydrophobicContact CD1-CG1 4.38Å; L36-V44 PolarHBondContact N-O 3.21Å; L36-K122 HydrophobicContact CD1-CD 4.32Å
37G88.9Confident91.8Very high33 Ų3360.1 Ų60.134%0.3436%0.36SS..EExtended strand (participates in β ladder)trans-172.6164.2178.800000111.9L35 V44L35-G37 WeakPolarHBondContact CD1-O 3.33Å; G37-V44 PolarHBondContact N-O 3.48Å; G37-V44 PolarHBondContact O-N 3.33Å
38S87.1Confident92Very high87 Ų8759.3 Ų59.361%0.60836%0.356SS*.EExtended strand (participates in β ladder)trans-147.4142.3178.161.70000111G42S38-G42 WeakPolarHBondContact CA-O 3.31Å
39G79.8Confident92.1Very high43 Ų4355 Ų5544%0.44334%0.336SS..EExtended strand (participates in β ladder)trans-163.6-158.4179.900000113.2F41 G42G39-F41 PolarHBondContact O-N 3.12Å; G39-F41 VanDerWaalsContact O-N 3.17Å; G39-G42 PolarHBondContact N-O 3.34Å; G39-G42 PolarHBondContact O-N 2.91Å; G39-G42 VanDerWaalsContact O-N 3.13Å
40G73.4Confident92.1Very high70 Ų7056.4 Ų56.472%0.72234%0.344SS*.THydrogen-bonded Turntrans-57.3-28.7178.200000113.4G42G40-G42 VanDerWaalsContact C-N 3.34Å; G40-G42 PolarHBondContact O-N 3.31Å
41F72.6Confident92.1Very high66 Ų6660.8 Ų60.829%0.28938%0.376SS..THydrogen-bonded Turntrans-88.55.5-177.8-53-73.4000114.4G39 K59 D186 S189G39-F41 PolarHBondContact O-N 3.12Å; G39-F41 VanDerWaalsContact O-N 3.17Å; F41-K59 WeakPolarHBondContact O-CE 3.06Å; F41-D186 WeakPolarHBondContact CB-OD2 3.33Å; F41-D186 WeakPolarHBondContact CG-OD2 3.35Å; F41-S189 WeakPolarHBondContact CE1-OG 3.33Å
42G87.1Confident92Very high7 Ų761.3 Ų61.37%0.07238%0.376CS..EExtended strand (participates in β ladder)trans107.6-158.4-178.300000113.1S38 G39 G40 Q60S38-G42 WeakPolarHBondContact CA-O 3.31Å; G39-G42 PolarHBondContact N-O 3.34Å; G39-G42 PolarHBondContact O-N 2.91Å; G39-G42 VanDerWaalsContact O-N 3.13Å; G40-G42 VanDerWaalsContact C-N 3.34Å; G40-G42 PolarHBondContact O-N 3.31Å; G42-Q60 WeakPolarHBondContact CA-O 2.81Å
43S94.7Very high92Very high28 Ų2860.6 Ų60.620%0.19638%0.384CS..EExtended strand (participates in β ladder)trans-116.8132.8-177.6-64.90000110Y45 K59 Q60S43-Y45 VanDerWaalsContact CB-CE2 3.45Å; S43-K59 CarbonylContact O-C 3.6Å; S43-K59 WeakPolarHBondContact O-CA 3.37Å; S43-Q60 PolarHBondContact N-O 2.8Å; S43-Q60 PolarHBondContact O-N 3.3Å
44V95.8Very high91.9Very high45 Ų4562.5 Ų62.527%0.27338%0.384SS..EExtended strand (participates in β ladder)trans-109.8126179.3-175.20000109.3L35 L36 G37 A57 I58 K59L35-V44 WeakPolarHBondContact CD1-O 3.47Å; L36-V44 WeakPolarHBondContact CB-O 3.3Å; L36-V44 HydrophobicContact CD1-CG1 4.38Å; L36-V44 PolarHBondContact N-O 3.21Å; G37-V44 PolarHBondContact N-O 3.48Å; G37-V44 PolarHBondContact O-N 3.33Å; V44-A57 HydrophobicContact CG1-CB 4.2Å; V44-I58 CarbonylContact C-O 3.58Å; V44-I58 WeakPolarHBondContact CA-O 3.34Å; V44-K59 HydrophobicContact CG2-CB 4.26Å; V44-K59 HydrophobicContact CG2-CG 4.12Å
45Y97.1Very high92Very high52 Ų5261.1 Ų61.120%0.20437%0.372CS..EExtended strand (participates in β ladder)trans-113149.6179.8-61.7-97.5000110.4M32 N34 L35 S43 A57 I58 Q60M32-Y45 HydrophobicContact CE-CD2 4.23Å; M32-Y45 HydrophobicContact CE-CG 4.46Å; M32-Y45 HydrophobicContact CG-CD1 4.18Å; M32-Y45 HydrophobicContact CG-CG 3.9Å; M32-Y45 HydrophobicContact SD-CD1 4.06Å; M32-Y45 HydrophobicContact SD-CD2 3.92Å; M32-Y45 HydrophobicContact SD-CE2 4.38Å; M32-Y45 HydrophobicContact SD-CG 3.76Å; N34-Y45 WeakPolarHBondContact O-CA 3.36Å; L35-Y45 HydrophobicContact CB-CD1 4.13Å; L35-Y45 HydrophobicContact CB-CE1 3.99Å; L35-Y45 HydrophobicContact CD1-CD1 4.14Å; L35-Y45 HydrophobicContact CD1-CD2 4.44Å; L35-Y45 HydrophobicContact CD1-CE1 3.74Å; L35-Y45 HydrophobicContact CD1-CE2 4.06Å; L35-Y45 HydrophobicContact CD1-CG 4.46Å; L35-Y45 HydrophobicContact CG-CE1 4.48Å; S43-Y45 VanDerWaalsContact CB-CE2 3.45Å; Y45-A57 CarbonylContact O-C 3.58Å; Y45-A57 WeakPolarHBondContact O-CA 3.37Å; Y45-I58 PolarHBondContact N-O 3.04Å; Y45-I58 PolarHBondContact O-N 2.91Å; Y45-Q60 HydrophobicContact CD2-CB 4.45Å; Y45-Q60 HydrophobicContact CE2-CB 4.1Å; Y45-Q60 PolarHBondContact OH-OE1 3.27Å
46S96.8Very high92Very high24 Ų2456.9 Ų56.917%0.16835%0.35CS..EExtended strand (participates in β ladder)trans-67.7158.8161.458.10000109.8G33 N34G33-S46 WeakPolarHBondContact CA-O 3.39Å; G33-S46 PolarHBondContact N-O 2.87Å; N34-S46 PolarHBondContact N-OG 3.05Å; N34-S46 PolarHBondContact O-N 2.82Å; N34-S46 PolarHBondContact O-OG 3.16Å
47G97.3Very high92.3Very high2 Ų253.2 Ų53.22%0.02133%0.332CS..EExtended strand (participates in β ladder)trans-167.6179172.600000112.8T31 V56T31-G47 CarbonylContact O-C 3.14Å; T31-G47 WeakPolarHBondContact O-CA 3.27Å; G47-V56 VanDerWaalsContact C-CG2 3.44Å; G47-V56 PolarHBondContact N-O 2.94Å; G47-V56 PolarHBondContact O-N 2.92Å
48H97.4Very high92.8Very high83 Ų8351.6 Ų51.638%0.38432%0.316SS..EExtended strand (participates in β ladder)trans-137138.8176.2-57.884000110.3Y30 T31 Q54Y30-H48 CarbonylContact C-O 3.56Å; Y30-H48 WeakPolarHBondContact CA-O 3.47Å; T31-H48 PolarHBondContact N-O 2.92Å; T31-H48 PolarHBondContact O-N 3.34Å; H48-Q54 CarbonylContact C-O 3.5Å; H48-Q54 WeakPolarHBondContact CA-O 3.21Å
49R97.6Very high93.2Very high58 Ų5847.8 Ų47.822%0.21929%0.289CS..EExtended strand (participates in β ladder)trans-76.2131.2167.5-173.9166.662.4-1600.2109.6Q29 Y30 S51 D52 G53 Q54Q29-R49 WeakPolarHBondContact O-CA 3.48Å; Y30-R49 HydrophobicContact CD1-CB 3.82Å; Y30-R49 HydrophobicContact CD1-CG 4.11Å; Y30-R49 HydrophobicContact CE1-CB 3.63Å; Y30-R49 HydrophobicContact CE1-CG 3.68Å; R49-S51 WeakPolarHBondContact CG-OG 3.4Å; R49-D52 IonicContact CZ-OD1 2.96Å; R49-D52 IonicContact CZ-OD2 3.88Å; R49-D52 IonicContact NE-OD1 2.67Å; R49-D52 PolarHBondContact NE-OD1 3.49Å; R49-D52 IonicContact NE-OD2 2.89Å; R49-D52 PolarHBondContact NE-OD2 3.3Å; R49-D52 IonicContact NH2-OD1 2.88Å; R49-D52 IonicContact NH2-OD2 2.71Å; R49-D52 PolarHBondContact NH2-OD2 2.75Å; R49-G53 WeakPolarHBondContact O-CA 3.33Å; R49-G53 PolarHBondContact O-N 3.14Å; R49-Q54 HydrophobicContact CB-CB 4.34Å; R49-Q54 PolarHBondContact N-O 3.38Å
50I97.8Very high94Very high91 Ų9147.8 Ų47.847%0.46728%0.277SS..THydrogen-bonded Turntrans-70.7-35.2-172.2-66.3173.3000111.7E27 Q29 D52E27-I50 VanDerWaalsContact O-CD1 3.26Å; E27-I50 WeakPolarHBondContact O-CD1 3.42Å; Q29-I50 PolarHBondContact O-N 2.97Å; I50-D52 VanDerWaalsContact C-N 3.34Å; I50-D52 PolarHBondContact O-N 3.46Å
51S97Very high95Very high100 Ų10045 Ų4570%0.69925%0.246SC*.THydrogen-bonded Turntrans-65.9-32-173.454.80000114.4R49R49-S51 WeakPolarHBondContact CG-OG 3.4Å
52D96.1Very high96Very high91 Ų9143.9 Ų43.949%0.48725%0.246SC..THydrogen-bonded Turntrans-139.42-173.965.4-11.5000114.4R49 I50 Q54R49-D52 IonicContact CZ-OD1 2.96Å; R49-D52 IonicContact CZ-OD2 3.88Å; R49-D52 IonicContact NE-OD1 2.67Å; R49-D52 PolarHBondContact NE-OD1 3.49Å; R49-D52 IonicContact NE-OD2 2.89Å; R49-D52 PolarHBondContact NE-OD2 3.3Å; R49-D52 IonicContact NH2-OD1 2.88Å; R49-D52 IonicContact NH2-OD2 2.71Å; R49-D52 PolarHBondContact NH2-OD2 2.75Å; I50-D52 VanDerWaalsContact C-N 3.34Å; I50-D52 PolarHBondContact O-N 3.46Å; D52-Q54 PolarHBondContact O-N 3.28Å; D52-Q54 VanDerWaalsContact OD1-CB 3.3Å; D52-Q54 WeakPolarHBondContact OD1-CB 3.45Å; D52-Q54 PolarHBondContact OD1-N 3.41Å; D52-Q54 VanDerWaalsContact OD1-N 3.09Å
53G95.6Very high96.2Very high47 Ų4748 Ų4849%0.48526%0.259SS..  trans70.911.2-178.100000114.2R49 K55R49-G53 WeakPolarHBondContact O-CA 3.33Å; R49-G53 PolarHBondContact O-N 3.14Å; G53-K55 PolarHBondContact O-N 3.49Å
54Q95.6Very high96Very high73 Ų7352.9 Ų52.934%0.34128%0.283SS..  trans-59.2127-179.2-177.4175.925.700110.5H48 R49 D52H48-Q54 CarbonylContact C-O 3.5Å; H48-Q54 WeakPolarHBondContact CA-O 3.21Å; R49-Q54 HydrophobicContact CB-CB 4.34Å; R49-Q54 PolarHBondContact N-O 3.38Å; D52-Q54 PolarHBondContact O-N 3.28Å; D52-Q54 VanDerWaalsContact OD1-CB 3.3Å; D52-Q54 WeakPolarHBondContact OD1-CB 3.45Å; D52-Q54 PolarHBondContact OD1-N 3.41Å; D52-Q54 VanDerWaalsContact OD1-N 3.09Å
55K96.6Very high95.7Very high103 Ų10357.6 Ų57.645%0.44830%0.296SS..EExtended strand (participates in β ladder)trans-65.4134.3171.5-69.7-175.5178.7179.50110.3G53G53-K55 PolarHBondContact O-N 3.49Å
56V97.6Very high95.3Very high0 Ų056.2 Ų56.20%029%0.292CS..EExtended strand (participates in β ladder)trans-133.1163.4179.9-63.10000111.1Y30 G47 I58 L106 V119 F120 K122Y30-V56 HydrophobicContact CD1-CG2 4.08Å; Y30-V56 HydrophobicContact CE1-CG1 4.3Å; G47-V56 VanDerWaalsContact C-CG2 3.44Å; G47-V56 PolarHBondContact N-O 2.94Å; G47-V56 PolarHBondContact O-N 2.92Å; V56-I58 HydrophobicContact CG2-CD1 4.21Å; V56-I58 HydrophobicContact CG2-CG1 4.11Å; V56-L106 HydrophobicContact CG1-CD1 3.73Å; V56-V119 HydrophobicContact CB-CG1 3.83Å; V56-V119 HydrophobicContact CG1-CG1 3.97Å; V56-V119 HydrophobicContact CG2-CG1 4.04Å; V56-F120 WeakPolarHBondContact CA-O 3.3Å; V56-F120 VanDerWaalsContact CB-O 3.31Å; V56-F120 WeakPolarHBondContact CB-O 3.29Å; V56-K122 VanDerWaalsContact C-CB 3.49Å
57A97.4Very high94.8Very high14 Ų1462.1 Ų62.112%0.11632%0.317CS..EExtended strand (participates in β ladder)trans-112136.7165.800000108.2V44 Y45 F120 K122V44-A57 HydrophobicContact CG1-CB 4.2Å; Y45-A57 CarbonylContact O-C 3.58Å; Y45-A57 WeakPolarHBondContact O-CA 3.37Å; A57-F120 HydrophobicContact CB-CB 4.41Å; A57-F120 PolarHBondContact N-O 2.87Å; A57-F120 PolarHBondContact O-N 3.02Å; A57-K122 HydrophobicContact CB-CB 4.38Å
58I97.6Very high94.5Very high0 Ų064.4 Ų64.40%033%0.327CS..EExtended strand (participates in β ladder)trans-121.6110.3-176-58.4149.7000108F26 M32 V44 Y45 V56 L117 I118 V119F26-I58 HydrophobicContact CE2-CD1 4.18Å; F26-I58 HydrophobicContact CE2-CG1 4.41Å; F26-I58 HydrophobicContact CE2-CG2 4.2Å; F26-I58 HydrophobicContact CZ-CD1 3.83Å; F26-I58 HydrophobicContact CZ-CG1 4.48Å; F26-I58 HydrophobicContact CZ-CG2 4.29Å; M32-I58 HydrophobicContact CB-CD1 4.2Å; M32-I58 HydrophobicContact CE-CB 4.2Å; M32-I58 HydrophobicContact CE-CD1 4.47Å; M32-I58 HydrophobicContact CE-CG2 3.55Å; M32-I58 HydrophobicContact CG-CD1 4.29Å; V44-I58 CarbonylContact C-O 3.58Å; V44-I58 WeakPolarHBondContact CA-O 3.34Å; Y45-I58 PolarHBondContact N-O 3.04Å; Y45-I58 PolarHBondContact O-N 2.91Å; V56-I58 HydrophobicContact CG2-CD1 4.21Å; V56-I58 HydrophobicContact CG2-CG1 4.11Å; I58-L117 HydrophobicContact CG2-CB 4.23Å; I58-L117 HydrophobicContact CG2-CD2 4.41Å; I58-I118 CarbonylContact C-O 3.5Å; I58-I118 WeakPolarHBondContact CA-O 3.38Å; I58-V119 HydrophobicContact CG1-CG2 4.42Å
59K96.9Very high94.3Very high6 Ų665.1 Ų65.13%0.02633%0.326CS..EExtended strand (participates in β ladder)trans-88.6119.8175.1-173.5173.1176.51770108.9F41 S43 V44 I61 E82 L117 I118 F120 D186F41-K59 WeakPolarHBondContact O-CE 3.06Å; S43-K59 CarbonylContact O-C 3.6Å; S43-K59 WeakPolarHBondContact O-CA 3.37Å; V44-K59 HydrophobicContact CG2-CB 4.26Å; V44-K59 HydrophobicContact CG2-CG 4.12Å; K59-I61 HydrophobicContact CD-CD1 4.27Å; K59-I61 HydrophobicContact CD-CG1 4.42Å; K59-I61 HydrophobicContact CG-CD1 4.32Å; K59-I61 HydrophobicContact CG-CG1 3.98Å; K59-E82 WeakPolarHBondContact CE-OE2 3.16Å; K59-E82 VanDerWaalsContact NZ-CD 3.27Å; K59-E82 IonicContact NZ-OE1 2.71Å; K59-E82 PolarHBondContact NZ-OE1 3.42Å; K59-E82 IonicContact NZ-OE2 2.75Å; K59-E82 PolarHBondContact NZ-OE2 2.94Å; K59-L117 CarbonylContact O-C 3.52Å; K59-L117 WeakPolarHBondContact O-CA 3.37Å; K59-I118 HydrophobicContact CB-CB 4.41Å; K59-I118 PolarHBondContact N-O 3.01Å; K59-I118 PolarHBondContact O-N 3.07Å; K59-F120 HydrophobicContact CB-CD2 4.4Å; K59-F120 HydrophobicContact CB-CE2 3.76Å; K59-F120 HydrophobicContact CD-CE2 4.28Å; K59-D186 IonicContact NZ-OD1 3.64Å; K59-D186 PolarHBondContact NZ-OD1 3.02Å; K59-D186 IonicContact NZ-OD2 3.36Å; K59-D186 PolarHBondContact NZ-OD2 3.21Å
60Q96.1Very high94.2Very high43 Ų4363.8 Ų63.820%0.20133%0.326CS..EExtended strand (participates in β ladder)trans-99.6119.1176.1-177.3-176.533.200108.8G42 S43 Y45 E115 L117G42-Q60 WeakPolarHBondContact CA-O 2.81Å; S43-Q60 PolarHBondContact N-O 2.8Å; S43-Q60 PolarHBondContact O-N 3.3Å; Y45-Q60 HydrophobicContact CD2-CB 4.45Å; Y45-Q60 HydrophobicContact CE2-CB 4.1Å; Y45-Q60 PolarHBondContact OH-OE1 3.27Å; Q60-E115 WeakPolarHBondContact CG-OE2 3.41Å; Q60-E115 PolarHBondContact NE2-OE1 3.03Å; Q60-E115 PolarHBondContact NE2-OE2 2.68Å; Q60-L117 HydrophobicContact CB-CD2 3.84Å; Q60-L117 HydrophobicContact CG-CD2 3.76Å
61I94.1Very high93.9Very high13 Ų1368 Ų687%0.06734%0.341CS..EExtended strand (participates in β ladder)trans-119.1110.5-178.1-50.1177.4000108.4K59 I66 E82 E115 Y116 I118K59-I61 HydrophobicContact CD-CD1 4.27Å; K59-I61 HydrophobicContact CD-CG1 4.42Å; K59-I61 HydrophobicContact CG-CD1 4.32Å; K59-I61 HydrophobicContact CG-CG1 3.98Å; I61-I66 HydrophobicContact CG2-CG1 3.82Å; I61-E82 WeakPolarHBondContact CD1-OE2 3.33Å; I61-E115 CarbonylContact O-C 3.57Å; I61-E115 VanDerWaalsContact O-CA 3.27Å; I61-E115 WeakPolarHBondContact O-CA 3.19Å; I61-E115 VanDerWaalsContact O-CB 3.32Å; I61-E115 WeakPolarHBondContact O-CB 3.34Å; I61-Y116 PolarHBondContact N-O 3.19Å; I61-Y116 PolarHBondContact O-N 3.3Å; I61-I118 HydrophobicContact CD1-CD1 3.65Å; I61-I118 HydrophobicContact CD1-CG1 4.37Å
62S93.1Very high93.4Very high41 Ų4163.9 Ų63.929%0.28731%0.311SS..EExtended strand (participates in β ladder)trans-63.9136.8175.4-170.30000110.5D64 R65S62-D64 VanDerWaalsContact C-N 3.25Å; S62-D64 WeakPolarHBondContact CB-OD1 3.37Å; S62-D64 PolarHBondContact O-N 2.88Å; S62-D64 PolarHBondContact OG-OD1 2.91Å; S62-R65 PolarHBondContact O-N 3.25Å
63R91.7Very high92.8Very high93 Ų9365.9 Ų65.935%0.35133%0.329SS..G310 helixtrans-61.7-33.8-171.7-176.9176.6-173.2134.20.8113.3R65 I66 W69 E110 Q114R63-R65 PolarHBondContact O-N 3.39Å; R63-I66 PolarHBondContact O-N 3.07Å; R63-W69 HydrophobicContact CG-CH2 3.97Å; R63-W69 HydrophobicContact CG-CZ2 3.99Å; R63-E110 IonicContact NH1-OE1 3.94Å; R63-E110 PolarHBondContact NH1-OE1 3.29Å; R63-Q114 WeakPolarHBondContact CB-O 3.36Å; R63-Q114 PolarHBondContact N-O 3.06Å
64D90.9Very high92.2Very high131 Ų13166.8 Ų66.870%0.70134%0.338SS*.G310 helixtrans-68.6-19.2177.465.5-30.8000113.6S62S62-D64 VanDerWaalsContact C-N 3.25Å; S62-D64 WeakPolarHBondContact CB-OD1 3.37Å; S62-D64 PolarHBondContact O-N 2.88Å; S62-D64 PolarHBondContact OG-OD1 2.91Å
65R88.4Confident91.7Very high145 Ų14565.6 Ų65.655%0.54733%0.333SS..G310 helixtrans-91.2-7.5177.7-62.4-174.3-178.6-167.50.6113.6S62 R63 Q67S62-R65 PolarHBondContact O-N 3.25Å; R63-R65 PolarHBondContact O-N 3.39Å; R65-Q67 PolarHBondContact O-N 3.13Å
66I89.4Confident91.2Very high23 Ų2365.8 Ų65.812%0.11834%0.342CS..  trans-77.2110.5-178.2-58.5165.7000109.6I61 R63 Q68 W69 P80 Y116I61-I66 HydrophobicContact CG2-CG1 3.82Å; R63-I66 PolarHBondContact O-N 3.07Å; I66-Q68 VanDerWaalsContact CG2-O 3.25Å; I66-Q68 WeakPolarHBondContact CG2-O 3.42Å; I66-W69 HydrophobicContact CB-CZ2 3.75Å; I66-W69 HydrophobicContact CD1-CH2 3.52Å; I66-W69 HydrophobicContact CD1-CZ2 3.5Å; I66-W69 VanDerWaalsContact CD1-CZ2 3.5Å; I66-W69 HydrophobicContact CD1-CZ3 4.27Å; I66-W69 HydrophobicContact CG1-CZ2 4.23Å; I66-W69 HydrophobicContact CG2-CD2 3.92Å; I66-W69 VanDerWaalsContact CG2-CE2 3.47Å; I66-W69 HydrophobicContact CG2-CG 4.23Å; I66-W69 HydrophobicContact CG2-CZ2 3.83Å; I66-W69 PolarHBondContact O-NE1 2.79Å; I66-P80 HydrophobicContact CD1-CB 4.22Å; I66-P80 HydrophobicContact CD1-CG 3.72Å; I66-P80 HydrophobicContact CG1-CB 4.5Å; I66-P80 HydrophobicContact CG1-CG 4.46Å; I66-P80 HydrophobicContact CG2-CB 4.15Å; I66-Y116 HydrophobicContact CD1-CD2 3.59Å; I66-Y116 HydrophobicContact CD1-CE2 3.84Å
67Q86.8Confident90.8Very high148 Ų14870 Ų7069%0.69236%0.364SS*.  trans-81.6-37.8178.4-56.8-170.719.100112.1R65 E202R65-Q67 PolarHBondContact O-N 3.13Å; Q67-E202 PolarHBondContact OE1-OE1 3.36Å; Q67-E202 PolarHBondContact OE1-OE2 3.38Å
68Q91Very high90.5Very high50 Ų5072.5 Ų72.523%0.23438%0.38CS..  trans-120.2131.2-174-55-159.6500112.2I66 N81 E202I66-Q68 VanDerWaalsContact CG2-O 3.25Å; I66-Q68 WeakPolarHBondContact CG2-O 3.42Å; Q68-N81 HydrophobicContact CB-CB 3.65Å; Q68-N81 WeakPolarHBondContact O-CB 3.36Å; Q68-N81 PolarHBondContact O-N 2.93Å; Q68-N81 PolarHBondContact OE1-ND2 2.83Å; Q68-E202 PolarHBondContact NE2-OE1 3.09Å
69W93.9Very high90.3Very high97 Ų9772.6 Ų72.637%0.36738%0.38SS..EExtended strand (participates in β ladder)trans-121.6137.4-179.3-67.185000110.3R63 I66 P78 V79 Y116R63-W69 HydrophobicContact CG-CH2 3.97Å; R63-W69 HydrophobicContact CG-CZ2 3.99Å; I66-W69 HydrophobicContact CB-CZ2 3.75Å; I66-W69 HydrophobicContact CD1-CH2 3.52Å; I66-W69 HydrophobicContact CD1-CZ2 3.5Å; I66-W69 VanDerWaalsContact CD1-CZ2 3.5Å; I66-W69 HydrophobicContact CD1-CZ3 4.27Å; I66-W69 HydrophobicContact CG1-CZ2 4.23Å; I66-W69 HydrophobicContact CG2-CD2 3.92Å; I66-W69 VanDerWaalsContact CG2-CE2 3.47Å; I66-W69 HydrophobicContact CG2-CG 4.23Å; I66-W69 HydrophobicContact CG2-CZ2 3.83Å; I66-W69 PolarHBondContact O-NE1 2.79Å; W69-P78 HydrophobicContact CB-CB 4.1Å; W69-P78 HydrophobicContact CE3-CB 4.11Å; W69-P78 WeakPolarHBondContact CZ3-O 3.33Å; W69-V79 CarbonylContact C-O 3.44Å; W69-V79 WeakPolarHBondContact CA-O 3.35Å; W69-V79 VanDerWaalsContact CE3-C 3.45Å; W69-Y116 AromaticContact CH2-CE2 3.6Å; W69-Y116 HydrophobicContact CH2-CE2 3.6Å; W69-Y116 AromaticContact CZ3-CE2 3.84Å; W69-Y116 HydrophobicContact CZ3-CE2 3.84Å; W69-Y116 AromaticContact CZ3-CZ 3.79Å; W69-Y116 WeakPolarHBondContact CZ3-OH 3.36Å
70S94.1Very high90.2Very high31 Ų3172.5 Ų72.522%0.21738%0.38CS..EExtended strand (participates in β ladder)trans-128.5143.8-177.7-77.30000111.2P78 V79 N81S70-P78 WeakPolarHBondContact O-CA 3.5Å; S70-V79 PolarHBondContact N-O 3.07Å; S70-V79 WeakPolarHBondContact O-CG2 3.26Å; S70-V79 PolarHBondContact O-N 2.85Å; S70-N81 PolarHBondContact OG-OD1 2.92Å
71K91.8Very high90.2Very high178 Ų17870.9 Ų70.977%0.77437%0.373SS*.PPolyproline II helixtrans-86.6117.9174.2-171.8172.9-175.4175.70109.2
72M87.3Confident90.2Very high15 Ų1570.7 Ų70.77%0.07437%0.372CS..PPolyproline II helixtrans-95.7144174.3-73.2-165.7-53.700111.7G74 E75 V79 I83 A84 Q87 W108M72-G74 PolarHBondContact O-N 3.38Å; M72-E75 HydrophobicContact CB-CB 4.25Å; M72-E75 HydrophobicContact CB-CG 4Å; M72-E75 HydrophobicContact CE-CG 3.7Å; M72-E75 PolarHBondContact O-N 2.89Å; M72-V79 HydrophobicContact CB-CG2 4.42Å; M72-V79 HydrophobicContact CE-CB 4.02Å; M72-V79 HydrophobicContact CE-CG1 3.65Å; M72-V79 HydrophobicContact CE-CG2 3.4Å; M72-V79 VanDerWaalsContact CE-CG2 3.4Å; M72-V79 HydrophobicContact CG-CG2 3.61Å; M72-V79 HydrophobicContact SD-CG2 3.77Å; M72-I83 HydrophobicContact CE-CG2 3.78Å; M72-I83 HydrophobicContact SD-CG2 4.07Å; M72-A84 HydrophobicContact CG-CB 3.63Å; M72-A84 VanDerWaalsContact SD-CA 3.52Å; M72-A84 HydrophobicContact SD-CB 3.96Å; M72-Q87 HydrophobicContact SD-CB 4.13Å; M72-Q87 HydrophobicContact SD-CG 4.31Å; M72-W108 HydrophobicContact CE-CH2 4.4Å; M72-W108 HydrophobicContact CE-CZ2 3.6Å
73P83.3Confident90.3Very high133 Ų13368.8 Ų68.886%0.86436%0.358SS*.THydrogen-bonded Turntrans-58.4131.7169.2-21.733.2000111.3E75P73-E75 VanDerWaalsContact C-N 3.31Å; P73-E75 PolarHBondContact O-N 2.72Å
74G82.5Confident90.5Very high66 Ų6665 Ų6568%0.6835%0.347SS*.THydrogen-bonded Turntrans89.1-15.318000000114.9M72M72-G74 PolarHBondContact O-N 3.38Å
75E85.5Confident90.7Very high48 Ų4859 Ų5922%0.22432%0.315CS..  trans-94.4138.5176.9-63.8-54.6142.700111.9M72 P73 V79 W108M72-E75 HydrophobicContact CB-CB 4.25Å; M72-E75 HydrophobicContact CB-CG 4Å; M72-E75 HydrophobicContact CE-CG 3.7Å; M72-E75 PolarHBondContact O-N 2.89Å; P73-E75 VanDerWaalsContact C-N 3.31Å; P73-E75 PolarHBondContact O-N 2.72Å; E75-V79 HydrophobicContact CG-CG1 4.48Å; E75-W108 HydrophobicContact CG-CH2 4.39Å; E75-W108 HydrophobicContact CG-CZ2 4.07Å
76V85.3Confident91Very high107 Ų10752.3 Ų52.365%0.64829%0.29SS*.SBendtrans-75.6-44.2-179.9179.20000110.8
77N88.8Confident91.1Very high87 Ų8754.2 Ų54.247%0.46530%0.298SS..SBendtrans-102.8153.5-178.4-64.8-38.4000110.7
78P92.4Very high91.3Very high67 Ų6750.2 Ų50.244%0.43529%0.287SS..  trans-57.1146.9165.8-20.432.5000110.9W69 S70W69-P78 HydrophobicContact CB-CB 4.1Å; W69-P78 HydrophobicContact CE3-CB 4.11Å; W69-P78 WeakPolarHBondContact CZ3-O 3.33Å; S70-P78 WeakPolarHBondContact O-CA 3.5Å
79V93.8Very high91.3Very high3 Ų348.1 Ų48.12%0.01828%0.277CS..EExtended strand (participates in β ladder)trans-114.5163.2174.9-65.40000110W69 S70 M72 E75 N81 I83 A84 W108W69-V79 CarbonylContact C-O 3.44Å; W69-V79 WeakPolarHBondContact CA-O 3.35Å; W69-V79 VanDerWaalsContact CE3-C 3.45Å; S70-V79 PolarHBondContact N-O 3.07Å; S70-V79 WeakPolarHBondContact O-CG2 3.26Å; S70-V79 PolarHBondContact O-N 2.85Å; M72-V79 HydrophobicContact CB-CG2 4.42Å; M72-V79 HydrophobicContact CE-CB 4.02Å; M72-V79 HydrophobicContact CE-CG1 3.65Å; M72-V79 HydrophobicContact CE-CG2 3.4Å; M72-V79 VanDerWaalsContact CE-CG2 3.4Å; M72-V79 HydrophobicContact CG-CG2 3.61Å; M72-V79 HydrophobicContact SD-CG2 3.77Å; E75-V79 HydrophobicContact CG-CG1 4.48Å; V79-N81 PolarHBondContact O-N 2.8Å; V79-I83 HydrophobicContact CG2-CB 4.37Å; V79-I83 HydrophobicContact CG2-CG2 4.5Å; V79-A84 HydrophobicContact CG2-CB 4.3Å; V79-W108 HydrophobicContact CG1-CH2 3.61Å; V79-W108 HydrophobicContact CG1-CZ2 4.11Å; V79-W108 HydrophobicContact CG1-CZ3 4.02Å
80P94.8Very high90.8Very high3 Ų343.8 Ų43.82%0.01926%0.263CS..EExtended strand (participates in β ladder)trans-48.2136.7166.3-14.210.8000111.5I66 E82 I83 A84 Y116I66-P80 HydrophobicContact CD1-CB 4.22Å; I66-P80 HydrophobicContact CD1-CG 3.72Å; I66-P80 HydrophobicContact CG1-CB 4.5Å; I66-P80 HydrophobicContact CG1-CG 4.46Å; I66-P80 HydrophobicContact CG2-CB 4.15Å; P80-E82 PolarHBondContact O-N 2.74Å; P80-I83 HydrophobicContact CB-CD1 4.35Å; P80-I83 HydrophobicContact CB-CG1 4.29Å; P80-I83 HydrophobicContact CG-CD1 3.7Å; P80-I83 HydrophobicContact CG-CG1 4.18Å; P80-I83 WeakPolarHBondContact O-CB 3.42Å; P80-I83 PolarHBondContact O-N 3.4Å; P80-A84 PolarHBondContact O-N 2.74Å; P80-Y116 VanDerWaalsContact CD-CE1 3.47Å; P80-Y116 HydrophobicContact CG-CD1 3.76Å; P80-Y116 HydrophobicContact CG-CD2 3.75Å; P80-Y116 HydrophobicContact CG-CE1 4.18Å; P80-Y116 HydrophobicContact CG-CE2 4.19Å; P80-Y116 HydrophobicContact CG-CG 3.53Å
81N94.8Very high90Very high9 Ų942.5 Ų42.55%0.04825%0.254CS..Hα-helixtrans-55.9-38.6-178.9-174.150000112.3Q68 S70 V79 I83 A84 L85 G190Q68-N81 HydrophobicContact CB-CB 3.65Å; Q68-N81 WeakPolarHBondContact O-CB 3.36Å; Q68-N81 PolarHBondContact O-N 2.93Å; Q68-N81 PolarHBondContact OE1-ND2 2.83Å; S70-N81 PolarHBondContact OG-OD1 2.92Å; V79-N81 PolarHBondContact O-N 2.8Å; N81-I83 VanDerWaalsContact C-N 3.28Å; N81-I83 PolarHBondContact O-N 2.79Å; N81-A84 WeakPolarHBondContact O-CB 3.24Å; N81-A84 PolarHBondContact O-N 2.84Å; N81-L85 WeakPolarHBondContact O-CG 3.38Å; N81-L85 PolarHBondContact O-N 3.07Å; N81-G190 PolarHBondContact ND2-O 2.97Å
82E95.3Very high88.9Confident10 Ų1034.4 Ų34.45%0.04722%0.221CC..Hα-helixtrans-51.5-44.5175.7-175.2171.1-171.700112.6K59 I61 P80 A84 L85 L86 I118 F187K59-E82 WeakPolarHBondContact CE-OE2 3.16Å; K59-E82 VanDerWaalsContact NZ-CD 3.27Å; K59-E82 IonicContact NZ-OE1 2.71Å; K59-E82 PolarHBondContact NZ-OE1 3.42Å; K59-E82 IonicContact NZ-OE2 2.75Å; K59-E82 PolarHBondContact NZ-OE2 2.94Å; I61-E82 WeakPolarHBondContact CD1-OE2 3.33Å; P80-E82 PolarHBondContact O-N 2.74Å; E82-A84 PolarHBondContact O-N 3.44Å; E82-L85 PolarHBondContact O-N 2.95Å; E82-L86 HydrophobicContact CG-CD1 3.74Å; E82-L86 HydrophobicContact CG-CG 4.42Å; E82-L86 WeakPolarHBondContact O-CB 3.27Å; E82-L86 WeakPolarHBondContact O-CD1 3.41Å; E82-L86 VanDerWaalsContact O-CG 3.24Å; E82-L86 WeakPolarHBondContact O-CG 3.5Å; E82-L86 PolarHBondContact O-N 2.82Å; E82-I118 HydrophobicContact CG-CD1 4.17Å; E82-F187 HydrophobicContact CG-CB 4.1Å
83I95.2Very high87.4Confident0 Ų040 Ų400%026%0.262CS..Hα-helixtrans-63.2-44.4178.1-61.5179.9000110.5M72 V79 P80 N81 L85 L86 Q87 M105 W108 Y116 I118M72-I83 HydrophobicContact CE-CG2 3.78Å; M72-I83 HydrophobicContact SD-CG2 4.07Å; V79-I83 HydrophobicContact CG2-CB 4.37Å; V79-I83 HydrophobicContact CG2-CG2 4.5Å; P80-I83 HydrophobicContact CB-CD1 4.35Å; P80-I83 HydrophobicContact CB-CG1 4.29Å; P80-I83 HydrophobicContact CG-CD1 3.7Å; P80-I83 HydrophobicContact CG-CG1 4.18Å; P80-I83 WeakPolarHBondContact O-CB 3.42Å; P80-I83 PolarHBondContact O-N 3.4Å; N81-I83 VanDerWaalsContact C-N 3.28Å; N81-I83 PolarHBondContact O-N 2.79Å; I83-L85 PolarHBondContact O-N 3.29Å; I83-L86 PolarHBondContact O-N 2.79Å; I83-Q87 VanDerWaalsContact O-CB 3.27Å; I83-Q87 WeakPolarHBondContact O-CB 3.42Å; I83-Q87 PolarHBondContact O-N 2.8Å; I83-M105 HydrophobicContact CG2-CE 4.37Å; I83-M105 HydrophobicContact CG2-SD 4.29Å; I83-W108 HydrophobicContact CD1-CB 4.02Å; I83-W108 HydrophobicContact CD1-CD2 3.91Å; I83-W108 HydrophobicContact CD1-CE3 3.77Å; I83-W108 HydrophobicContact CD1-CG 4.02Å; I83-W108 HydrophobicContact CG2-CB 4.35Å; I83-W108 HydrophobicContact CG2-CD2 3.8Å; I83-W108 HydrophobicContact CG2-CG 3.65Å; I83-Y116 HydrophobicContact CD1-CD1 3.85Å; I83-Y116 HydrophobicContact CD1-CG 4.42Å; I83-I118 HydrophobicContact CD1-CD1 4.23Å; I83-I118 HydrophobicContact CD1-CG1 4.07Å; I83-I118 HydrophobicContact CG1-CD1 3.55Å; I83-I118 HydrophobicContact CG1-CG1 3.85Å
84A94.6Very high86.1Confident13 Ų1335.6 Ų35.611%0.10724%0.24CC..Hα-helixtrans-64.3-39-18000000112.9M72 V79 P80 N81 E82 S88M72-A84 HydrophobicContact CG-CB 3.63Å; M72-A84 VanDerWaalsContact SD-CA 3.52Å; M72-A84 HydrophobicContact SD-CB 3.96Å; V79-A84 HydrophobicContact CG2-CB 4.3Å; P80-A84 PolarHBondContact O-N 2.74Å; N81-A84 WeakPolarHBondContact O-CB 3.24Å; N81-A84 PolarHBondContact O-N 2.84Å; E82-A84 PolarHBondContact O-N 3.44Å; A84-S88 PolarHBondContact O-N 3.12Å; A84-S88 PolarHBondContact O-OG 3.06Å
85L95.3Very high84.8Confident6 Ų638.4 Ų38.43%0.03125%0.249CC..Hα-helixtrans-67.3-50175.6-61.7179.4000111N81 E82 I83 Q87 S88 L89 I163N81-L85 WeakPolarHBondContact O-CG 3.38Å; N81-L85 PolarHBondContact O-N 3.07Å; E82-L85 PolarHBondContact O-N 2.95Å; I83-L85 PolarHBondContact O-N 3.29Å; L85-Q87 VanDerWaalsContact C-N 3.31Å; L85-Q87 PolarHBondContact O-N 2.98Å; L85-S88 WeakPolarHBondContact O-CB 3.39Å; L85-S88 PolarHBondContact O-N 3.44Å; L85-L89 WeakPolarHBondContact O-CG 3.47Å; L85-L89 PolarHBondContact O-N 3.37Å; L85-L89 VanDerWaalsContact O-N 3.14Å; L85-I163 HydrophobicContact CB-CD1 4.33Å; L85-I163 HydrophobicContact CD1-CG2 4.46Å; L85-I163 HydrophobicContact CD2-CD1 4.18Å; L85-I163 HydrophobicContact CD2-CG1 3.97Å; L85-I163 HydrophobicContact CD2-CG2 4.11Å
86L94.7Very high83.7Confident4 Ų439.2 Ų39.22%0.02126%0.258CS..Hα-helixtrans-60.3-39.7179.4-72.6166.8000112.4E82 I83 S88 L89 G91 M105 I118 F120 F187E82-L86 HydrophobicContact CG-CD1 3.74Å; E82-L86 HydrophobicContact CG-CG 4.42Å; E82-L86 WeakPolarHBondContact O-CB 3.27Å; E82-L86 WeakPolarHBondContact O-CD1 3.41Å; E82-L86 VanDerWaalsContact O-CG 3.24Å; E82-L86 WeakPolarHBondContact O-CG 3.5Å; E82-L86 PolarHBondContact O-N 2.82Å; I83-L86 PolarHBondContact O-N 2.79Å; L86-S88 VanDerWaalsContact C-N 3.27Å; L86-S88 PolarHBondContact O-N 2.85Å; L86-L89 PolarHBondContact O-N 3.32Å; L86-L89 VanDerWaalsContact O-N 3.16Å; L86-G91 WeakPolarHBondContact O-CA 3.45Å; L86-G91 PolarHBondContact O-N 3.14Å; L86-M105 HydrophobicContact CB-CB 3.97Å; L86-M105 HydrophobicContact CB-CE 4.11Å; L86-M105 HydrophobicContact CB-SD 3.78Å; L86-M105 HydrophobicContact CD1-CB 4.23Å; L86-M105 HydrophobicContact CD1-SD 4.01Å; L86-I118 HydrophobicContact CD1-CG2 4.31Å; L86-F120 HydrophobicContact CD1-CE1 3.53Å; L86-F120 HydrophobicContact CD1-CZ 3.67Å; L86-F120 HydrophobicContact CD2-CE1 4.16Å; L86-F120 HydrophobicContact CG-CE1 4.5Å; L86-F187 HydrophobicContact CD2-CB 4.38Å; L86-F187 HydrophobicContact CD2-CD2 3.62Å; L86-F187 HydrophobicContact CD2-CE2 4.19Å; L86-F187 HydrophobicContact CD2-CG 4.13Å; L86-F187 HydrophobicContact CG-CB 4.32Å; L86-F187 HydrophobicContact CG-CD2 4.45Å
87Q91.6Very high83.1Confident63 Ų6339 Ų3929%0.29426%0.258SS..Hα-helixtrans-60.6-37.8175.1-173.458.551.400111.9M72 I83 L85 L89 G90 G91 M105M72-Q87 HydrophobicContact SD-CB 4.13Å; M72-Q87 HydrophobicContact SD-CG 4.31Å; I83-Q87 VanDerWaalsContact O-CB 3.27Å; I83-Q87 WeakPolarHBondContact O-CB 3.42Å; I83-Q87 PolarHBondContact O-N 2.8Å; L85-Q87 VanDerWaalsContact C-N 3.31Å; L85-Q87 PolarHBondContact O-N 2.98Å; Q87-L89 VanDerWaalsContact C-N 3.3Å; Q87-L89 PolarHBondContact O-N 3.06Å; Q87-G90 PolarHBondContact O-N 3.16Å; Q87-G91 VanDerWaalsContact CD-O 3.25Å; Q87-G91 PolarHBondContact NE2-O 3.38Å; Q87-G91 PolarHBondContact OE1-O 2.94Å; Q87-M105 HydrophobicContact CB-CE 4.12Å
88S91Very high83Confident64 Ų6437 Ų3745%0.44826%0.259SS..Hα-helixtrans-73.7-21178.3-59.30000113.3A84 L85 L86 G90A84-S88 PolarHBondContact O-N 3.12Å; A84-S88 PolarHBondContact O-OG 3.06Å; L85-S88 WeakPolarHBondContact O-CB 3.39Å; L85-S88 PolarHBondContact O-N 3.44Å; L86-S88 VanDerWaalsContact C-N 3.27Å; L86-S88 PolarHBondContact O-N 2.85Å; S88-G90 VanDerWaalsContact C-N 3.3Å
89L91.7Very high83.1Confident7 Ų736 Ų364%0.03725%0.248CC..THydrogen-bonded Turntrans-87.59.5176.7-65.3171.1000113.9L85 L86 Q87 G98 I102 F157 C158 K161 I163 F187L85-L89 WeakPolarHBondContact O-CG 3.47Å; L85-L89 PolarHBondContact O-N 3.37Å; L85-L89 VanDerWaalsContact O-N 3.14Å; L86-L89 PolarHBondContact O-N 3.32Å; L86-L89 VanDerWaalsContact O-N 3.16Å; Q87-L89 VanDerWaalsContact C-N 3.3Å; Q87-L89 PolarHBondContact O-N 3.06Å; L89-G98 WeakPolarHBondContact O-CA 3.45Å; L89-I102 HydrophobicContact CD1-CG2 4.42Å; L89-F157 HydrophobicContact CB-CE1 4.33Å; L89-F157 HydrophobicContact CD2-CD1 4.15Å; L89-F157 HydrophobicContact CD2-CE1 3.86Å; L89-C158 HydrophobicContact CD2-CB 4.38Å; L89-K161 HydrophobicContact CD2-CB 3.96Å; L89-K161 HydrophobicContact CD2-CG 4.01Å; L89-I163 HydrophobicContact CD1-CD1 4.24Å; L89-I163 HydrophobicContact CD2-CD1 3.75Å; L89-I163 HydrophobicContact CG-CD1 3.68Å; L89-F187 HydrophobicContact CD1-CD1 3.83Å; L89-F187 HydrophobicContact CD1-CE1 3.26Å; L89-F187 HydrophobicContact CD1-CE2 4.1Å; L89-F187 HydrophobicContact CD1-CG 4.44Å; L89-F187 HydrophobicContact CD1-CZ 3.41Å; L89-F187 VanDerWaalsContact CD1-CZ 3.41Å
90G83.3Confident83.1Confident6 Ų642.7 Ų42.76%0.06227%0.273CS..THydrogen-bonded Turntrans93.914.9-177.700000114.2Q87 S88 V96Q87-G90 PolarHBondContact O-N 3.16Å; S88-G90 VanDerWaalsContact C-N 3.3Å; G90-V96 WeakPolarHBondContact CA-O 3.49Å
91G76.8Confident83.2Confident4 Ų442.7 Ų42.74%0.04127%0.274CS..  trans-69.1157.2167.200000112.8L86 Q87 M105L86-G91 WeakPolarHBondContact O-CA 3.45Å; L86-G91 PolarHBondContact O-N 3.14Å; Q87-G91 VanDerWaalsContact CD-O 3.25Å; Q87-G91 PolarHBondContact NE2-O 3.38Å; Q87-G91 PolarHBondContact OE1-O 2.94Å; G91-M105 CarbonylContact C-O 3.58Å; G91-M105 VanDerWaalsContact CA-O 3.27Å; G91-M105 WeakPolarHBondContact CA-O 3.45Å
92G69.4Low83.3Confident8 Ų842.7 Ų42.78%0.08227%0.274CS..THydrogen-bonded Turntrans78.3-165177.700000115.2G94 M105G92-G94 VanDerWaalsContact C-N 3.27Å; G92-G94 PolarHBondContact O-N 3.43Å; G92-M105 PolarHBondContact N-O 3.39Å
93S55.9Low83.4Confident132 Ų13242.7 Ų42.792%0.92327%0.274SS*.THydrogen-bonded Turntrans-81.35-174.8-173.90000114.5
94G56.3Low83.3Confident40 Ų4048.7 Ų48.741%0.41230%0.296SS..SBendtrans-83.7158.1-17500000114.5G92 V96G92-G94 VanDerWaalsContact C-N 3.27Å; G92-G94 PolarHBondContact O-N 3.43Å; G94-V96 VanDerWaalsContact C-N 3.29Å; G94-V96 PolarHBondContact O-N 3.04Å
95S53.7Low83.3Confident125 Ų12548.1 Ų48.187%0.87429%0.292SS*.SBendtrans-798.1-173.2-36.80000115.9P97S95-P97 WeakPolarHBondContact O-CD 3.48Å
96V63Low83.3Confident66 Ų6649.2 Ų49.240%0.430%0.298SS..  trans-78.8120.9-179.5-178.30000108.6G90 G94 G98G90-V96 WeakPolarHBondContact CA-O 3.49Å; G94-V96 VanDerWaalsContact C-N 3.29Å; G94-V96 PolarHBondContact O-N 3.04Å; V96-G98 PolarHBondContact O-N 3.35Å
97P72.5Confident83.2Confident101 Ų10151 Ų5166%0.65631%0.307SS*.  trans-61.7123.9175.2-19.631.9000109.8S95S95-P97 WeakPolarHBondContact O-CD 3.48Å
98G87.1Confident83.4Confident47 Ų4749.4 Ų49.449%0.48530%0.298SS..  trans-74.1-176.7170.200000112.2L89 V96L89-G98 WeakPolarHBondContact O-CA 3.45Å; V96-G98 PolarHBondContact O-N 3.35Å
99H94.1Very high83.5Confident44 Ų4446.4 Ų46.420%0.20428%0.277CS..  trans-115138175.5-176.1-92.4000110.6G101 I102 F157H99-G101 PolarHBondContact ND1-N 3.01Å; H99-G101 PolarHBondContact O-N 2.92Å; H99-G101 VanDerWaalsContact O-N 3.16Å; H99-I102 HydrophobicContact CB-CG1 4.12Å; H99-I102 PolarHBondContact O-N 3.47Å; H99-F157 HydrophobicContact CB-CB 4.11Å; H99-F157 HydrophobicContact CB-CD1 3.4Å; H99-F157 HydrophobicContact CB-CD2 3.92Å; H99-F157 HydrophobicContact CB-CE1 3.65Å; H99-F157 HydrophobicContact CB-CE2 4.14Å; H99-F157 HydrophobicContact CB-CG 3.53Å; H99-F157 HydrophobicContact CB-CZ 4.01Å; H99-F157 AromaticContact CG-CG 3.96Å
100R94.3Very high83.6Confident145 Ų14546.8 Ų46.855%0.54728%0.279SS..THydrogen-bonded Turntrans-56.2-36.1-175.972.3-179.8-168-83.2-10113.1I102 E153 K183R100-I102 VanDerWaalsContact C-N 3.3Å; R100-I102 PolarHBondContact O-N 3.2Å; R100-E153 IonicContact CZ-OE2 2.65Å; R100-E153 IonicContact NH1-OE2 3.44Å; R100-E153 IonicContact NH2-OE2 3.44Å; R100-E153 PolarHBondContact NH2-OE2 3.2Å; R100-K183 PolarHBondContact O-NZ 3.48Å
101G96.8Very high84.1Confident3 Ų347.1 Ų47.13%0.03128%0.279CS..THydrogen-bonded Turntrans-848.5-178.800000115.4H99 I182 K183 V184H99-G101 PolarHBondContact ND1-N 3.01Å; H99-G101 PolarHBondContact O-N 2.92Å; H99-G101 VanDerWaalsContact O-N 3.16Å; G101-I182 WeakPolarHBondContact CA-O 3.28Å; G101-K183 CarbonylContact O-C 3.47Å; G101-K183 WeakPolarHBondContact O-CA 3.46Å; G101-V184 PolarHBondContact O-N 3.33Å
102I97.4Very high84.6Confident9 Ų950.9 Ų50.95%0.04630%0.303CS..BIsolated β-bridgetrans-115.8136.4171.8-57.9-59.6000108.1L89 H99 R100 R104 A154 F157 V184 F187L89-I102 HydrophobicContact CD1-CG2 4.42Å; H99-I102 HydrophobicContact CB-CG1 4.12Å; H99-I102 PolarHBondContact O-N 3.47Å; R100-I102 VanDerWaalsContact C-N 3.3Å; R100-I102 PolarHBondContact O-N 3.2Å; I102-R104 PolarHBondContact O-N 3.16Å; I102-A154 HydrophobicContact CD1-CB 3.73Å; I102-A154 HydrophobicContact CG1-CB 4.39Å; I102-F157 HydrophobicContact CG1-CD1 4.18Å; I102-V184 HydrophobicContact CD1-CB 3.89Å; I102-V184 HydrophobicContact CD1-CG2 4.32Å; I102-F187 HydrophobicContact CD1-CZ 4.12Å; I102-F187 HydrophobicContact CG2-CE2 3.87Å; I102-F187 HydrophobicContact CG2-CZ 4Å
103I95.7Very high85.3Confident10 Ų1053.4 Ų53.45%0.05133%0.329CS..PPolyproline II helixtrans-64.4129.9175-16470.6000110.9M105 F120 E121 P123 L174 K183 V184 I185I103-M105 PolarHBondContact O-N 3.41Å; I103-F120 HydrophobicContact CG1-CB 4.21Å; I103-F120 HydrophobicContact CG1-CD1 4.16Å; I103-F120 HydrophobicContact CG2-CD1 4.01Å; I103-F120 HydrophobicContact CG2-CE1 4.19Å; I103-E121 HydrophobicContact CD1-CG 3.49Å; I103-E121 VanDerWaalsContact CD1-CG 3.49Å; I103-E121 HydrophobicContact CG1-CG 4.12Å; I103-P123 HydrophobicContact CD1-CG 4.4Å; I103-L174 HydrophobicContact CD1-CD1 4.39Å; I103-K183 HydrophobicContact CD1-CD 3.91Å; I103-V184 WeakPolarHBondContact CG2-O 3.15Å; I103-V184 PolarHBondContact N-O 2.66Å; I103-I185 HydrophobicContact CB-CG2 3.81Å; I103-I185 HydrophobicContact CG1-CG2 4.2Å; I103-I185 HydrophobicContact CG2-CB 4.13Å; I103-I185 HydrophobicContact CG2-CG2 3.86Å
104R93.7Very high86.9Confident125 Ų12553 Ų5347%0.47231%0.312SS..PPolyproline II helixtrans-81.7120-179-171.2176.1178.4166.60.9111.4I102 L106 F120 E121I102-R104 PolarHBondContact O-N 3.16Å; R104-L106 HydrophobicContact CG-CD2 4.14Å; R104-L106 PolarHBondContact O-N 2.91Å; R104-F120 WeakPolarHBondContact O-CA 3.47Å; R104-E121 HydrophobicContact CB-CB 4.47Å; R104-E121 HydrophobicContact CB-CG 4.05Å; R104-E121 WeakPolarHBondContact CB-OE1 3.49Å; R104-E121 PolarHBondContact N-OE1 2.91Å; R104-E121 PolarHBondContact O-N 3.37Å
105M95.2Very high88.7Confident1 Ų152.9 Ų52.91%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-70.4119.2159.8-176-178.176.500109.1I83 L86 Q87 G91 G92 I103 W108 I118 V119 F120I83-M105 HydrophobicContact CG2-CE 4.37Å; I83-M105 HydrophobicContact CG2-SD 4.29Å; L86-M105 HydrophobicContact CB-CB 3.97Å; L86-M105 HydrophobicContact CB-CE 4.11Å; L86-M105 HydrophobicContact CB-SD 3.78Å; L86-M105 HydrophobicContact CD1-CB 4.23Å; L86-M105 HydrophobicContact CD1-SD 4.01Å; Q87-M105 HydrophobicContact CB-CE 4.12Å; G91-M105 CarbonylContact C-O 3.58Å; G91-M105 VanDerWaalsContact CA-O 3.27Å; G91-M105 WeakPolarHBondContact CA-O 3.45Å; G92-M105 PolarHBondContact N-O 3.39Å; I103-M105 PolarHBondContact O-N 3.41Å; M105-W108 HydrophobicContact SD-CB 4.48Å; M105-I118 HydrophobicContact CG-CG2 3.64Å; M105-I118 HydrophobicContact SD-CG2 3.66Å; M105-V119 CarbonylContact C-O 3.47Å; M105-F120 HydrophobicContact CB-CD1 4.26Å; M105-F120 HydrophobicContact CB-CE1 4.18Å
106L94.1Very high90.7Very high30 Ų3047 Ų4716%0.15726%0.259CS..EExtended strand (participates in β ladder)trans-86.1-41.5178.2-58.9179000111.2V56 R104 V119 E121V56-L106 HydrophobicContact CG1-CD1 3.73Å; R104-L106 HydrophobicContact CG-CD2 4.14Å; R104-L106 PolarHBondContact O-N 2.91Å; L106-V119 HydrophobicContact CB-CG1 4.36Å; L106-V119 HydrophobicContact CD1-CG1 4.49Å; L106-V119 PolarHBondContact N-O 2.83Å; L106-E121 HydrophobicContact CD1-CB 4.47Å; L106-E121 HydrophobicContact CD2-CB 4.46Å
107D93.9Very high92.3Very high41 Ų4144 Ų4422%0.21924%0.242CC..EExtended strand (participates in β ladder)trans-160.8170.5-174.3-150.9-5.2000111.2Y30 F109 V119Y30-D107 HydrophobicContact CE2-CB 4.24Å; D107-F109 HydrophobicContact CB-CE2 4.05Å; D107-F109 WeakPolarHBondContact OD2-CZ 3.38Å; D107-V119 HydrophobicContact CB-CB 4.11Å; D107-V119 HydrophobicContact CB-CG2 4.28Å; D107-V119 PolarHBondContact N-O 3.45Å; D107-V119 PolarHBondContact O-N 3.46Å
108W94.9Very high93.4Very high30 Ų3039.2 Ų39.211%0.11421%0.21CC..EExtended strand (participates in β ladder)trans-152.5155.6169.668-85.5000111.6M72 E75 V79 I83 M105 E110 Y116 L117M72-W108 HydrophobicContact CE-CH2 4.4Å; M72-W108 HydrophobicContact CE-CZ2 3.6Å; E75-W108 HydrophobicContact CG-CH2 4.39Å; E75-W108 HydrophobicContact CG-CZ2 4.07Å; V79-W108 HydrophobicContact CG1-CH2 3.61Å; V79-W108 HydrophobicContact CG1-CZ2 4.11Å; V79-W108 HydrophobicContact CG1-CZ3 4.02Å; I83-W108 HydrophobicContact CD1-CB 4.02Å; I83-W108 HydrophobicContact CD1-CD2 3.91Å; I83-W108 HydrophobicContact CD1-CE3 3.77Å; I83-W108 HydrophobicContact CD1-CG 4.02Å; I83-W108 HydrophobicContact CG2-CB 4.35Å; I83-W108 HydrophobicContact CG2-CD2 3.8Å; I83-W108 HydrophobicContact CG2-CG 3.65Å; M105-W108 HydrophobicContact SD-CB 4.48Å; W108-E110 HydrophobicContact CZ3-CB 4.31Å; W108-Y116 HydrophobicContact CE3-CD1 4.14Å; W108-Y116 HydrophobicContact CE3-CE1 4.46Å; W108-Y116 HydrophobicContact CZ3-CD1 4.16Å; W108-Y116 HydrophobicContact CZ3-CE1 4.03Å; W108-L117 CarbonylContact C-O 3.56Å; W108-L117 WeakPolarHBondContact CA-O 3.4Å
109F94.6Very high93.9Very high1 Ų137 Ų370%0.00419%0.187CC..EExtended strand (participates in β ladder)trans-137.5135.5-177.1-58.1-96.1000110.2H25 F26 Y30 D107 Y116 L117 V119H25-F109 AromaticContact CD2-CD1 3.92Å; H25-F109 AromaticContact CD2-CE1 3.47Å; H25-F109 VanDerWaalsContact CD2-CE1 3.47Å; H25-F109 WeakPolarHBondContact CD2-CE1 3.47Å; F26-F109 HydrophobicContact CB-CB 4.49Å; F26-F109 HydrophobicContact CB-CD1 3.89Å; F26-F109 HydrophobicContact CB-CD2 4.28Å; F26-F109 HydrophobicContact CB-CE1 4.16Å; F26-F109 HydrophobicContact CB-CG 3.95Å; F26-F109 AromaticContact CD2-CD2 3.7Å; F26-F109 HydrophobicContact CD2-CD2 3.7Å; F26-F109 AromaticContact CD2-CE2 3.8Å; F26-F109 HydrophobicContact CD2-CE2 3.8Å; F26-F109 HydrophobicContact CD2-CG 4.22Å; F26-F109 HydrophobicContact CD2-CZ 4.36Å; F26-F109 HydrophobicContact CG-CD2 4.45Å; Y30-F109 AromaticContact CD2-CE2 3.8Å; Y30-F109 HydrophobicContact CD2-CE2 3.8Å; Y30-F109 AromaticContact CD2-CZ 3.85Å; Y30-F109 HydrophobicContact CD2-CZ 3.85Å; Y30-F109 AromaticContact CE2-CE2 3.68Å; Y30-F109 HydrophobicContact CE2-CE2 3.68Å; Y30-F109 AromaticContact CE2-CZ 3.66Å; Y30-F109 HydrophobicContact CE2-CZ 3.66Å; D107-F109 HydrophobicContact CB-CE2 4.05Å; D107-F109 WeakPolarHBondContact OD2-CZ 3.38Å; F109-Y116 CarbonylContact O-C 3.55Å; F109-Y116 WeakPolarHBondContact O-CA 3.18Å; F109-L117 HydrophobicContact CB-CB 4.3Å; F109-L117 PolarHBondContact N-O 2.95Å; F109-L117 PolarHBondContact O-N 2.93Å; F109-V119 HydrophobicContact CD2-CG2 4.23Å; F109-V119 HydrophobicContact CE2-CG2 3.88Å
110E93.5Very high94Very high14 Ų1435.6 Ų35.67%0.06518%0.181CC..EExtended strand (participates in β ladder)trans-88.4128162.4-176.6179.1-176.700109.2N21 G22 R63 W108 P112 Y116N21-E110 HydrophobicContact CB-CB 4.39Å; G22-E110 PolarHBondContact N-O 3.34Å; R63-E110 IonicContact NH1-OE1 3.94Å; R63-E110 PolarHBondContact NH1-OE1 3.29Å; W108-E110 HydrophobicContact CZ3-CB 4.31Å; E110-P112 WeakPolarHBondContact O-CD 3.47Å; E110-Y116 HydrophobicContact CB-CD1 4.06Å; E110-Y116 HydrophobicContact CB-CE1 3.65Å; E110-Y116 VanDerWaalsContact CD-OH 3.24Å; E110-Y116 HydrophobicContact CG-CD1 4.38Å; E110-Y116 HydrophobicContact CG-CE1 3.74Å; E110-Y116 HydrophobicContact CG-CE2 4.27Å; E110-Y116 PolarHBondContact OE1-OH 2.96Å
111I92.6Very high94Very high13 Ų1330.8 Ų30.87%0.06716%0.164CC..EExtended strand (participates in β ladder)trans-95.6104.4162.8-50.4-56.5000106.6K23 G113 Q114 E115 L117K23-I111 HydrophobicContact CB-CD1 4.1Å; I111-G113 PolarHBondContact O-N 3.46Å; I111-Q114 HydrophobicContact CB-CB 4.39Å; I111-Q114 HydrophobicContact CG2-CB 4.03Å; I111-Q114 HydrophobicContact CG2-CG 4.45Å; I111-Q114 PolarHBondContact O-N 3.39Å; I111-E115 HydrophobicContact CB-CG 3.74Å; I111-E115 HydrophobicContact CG1-CG 3.75Å; I111-E115 HydrophobicContact CG2-CG 4.41Å; I111-E115 PolarHBondContact N-O 3.03Å; I111-E115 PolarHBondContact O-N 3.17Å; I111-L117 HydrophobicContact CD1-CD1 4.13Å; I111-L117 HydrophobicContact CG1-CD1 4.25Å; I111-L117 HydrophobicContact CG1-CG 4.24Å
112P87.3Confident93.9Very high83 Ų8333.6 Ų33.654%0.53918%0.176SC..THydrogen-bonded Turntrans-53.2126.7-166.6-3036.5000113.3E110 Q114E110-P112 WeakPolarHBondContact O-CD 3.47Å; P112-Q114 PolarHBondContact O-N 3.47Å
113G85.1Confident93.6Very high61 Ų6134.4 Ų34.463%0.62918%0.181SC*.THydrogen-bonded Turntrans70.92.4178.400000115.9I111I111-G113 PolarHBondContact O-N 3.46Å
114Q89.7Confident93.1Very high123 Ų12340.6 Ų40.658%0.57521%0.21SC*.THydrogen-bonded Turntrans-119.9-65.1-176.6-63.1-1784.500111.6R63 I111 P112R63-Q114 WeakPolarHBondContact CB-O 3.36Å; R63-Q114 PolarHBondContact N-O 3.06Å; I111-Q114 HydrophobicContact CB-CB 4.39Å; I111-Q114 HydrophobicContact CG2-CB 4.03Å; I111-Q114 HydrophobicContact CG2-CG 4.45Å; I111-Q114 PolarHBondContact O-N 3.39Å; P112-Q114 PolarHBondContact O-N 3.47Å
115E93.6Very high93Very high38 Ų3838.5 Ų38.518%0.17821%0.206CC..EExtended strand (participates in β ladder)trans-161.5170-164.660-173.2-166.700112.9Q60 I61 I111Q60-E115 WeakPolarHBondContact CG-OE2 3.41Å; Q60-E115 PolarHBondContact NE2-OE1 3.03Å; Q60-E115 PolarHBondContact NE2-OE2 2.68Å; I61-E115 CarbonylContact O-C 3.57Å; I61-E115 VanDerWaalsContact O-CA 3.27Å; I61-E115 WeakPolarHBondContact O-CA 3.19Å; I61-E115 VanDerWaalsContact O-CB 3.32Å; I61-E115 WeakPolarHBondContact O-CB 3.34Å; I111-E115 HydrophobicContact CB-CG 3.74Å; I111-E115 HydrophobicContact CG1-CG 3.75Å; I111-E115 HydrophobicContact CG2-CG 4.41Å; I111-E115 PolarHBondContact N-O 3.03Å; I111-E115 PolarHBondContact O-N 3.17Å
116Y95.1Very high92.9Very high1 Ų140 Ų400%0.00422%0.216CC..EExtended strand (participates in β ladder)trans-115.7139.3169.4-70.7-100.9000109.6I61 I66 W69 P80 I83 W108 F109 E110I61-Y116 PolarHBondContact N-O 3.19Å; I61-Y116 PolarHBondContact O-N 3.3Å; I66-Y116 HydrophobicContact CD1-CD2 3.59Å; I66-Y116 HydrophobicContact CD1-CE2 3.84Å; W69-Y116 AromaticContact CH2-CE2 3.6Å; W69-Y116 HydrophobicContact CH2-CE2 3.6Å; W69-Y116 AromaticContact CZ3-CE2 3.84Å; W69-Y116 HydrophobicContact CZ3-CE2 3.84Å; W69-Y116 AromaticContact CZ3-CZ 3.79Å; W69-Y116 WeakPolarHBondContact CZ3-OH 3.36Å; P80-Y116 VanDerWaalsContact CD-CE1 3.47Å; P80-Y116 HydrophobicContact CG-CD1 3.76Å; P80-Y116 HydrophobicContact CG-CD2 3.75Å; P80-Y116 HydrophobicContact CG-CE1 4.18Å; P80-Y116 HydrophobicContact CG-CE2 4.19Å; P80-Y116 HydrophobicContact CG-CG 3.53Å; I83-Y116 HydrophobicContact CD1-CD1 3.85Å; I83-Y116 HydrophobicContact CD1-CG 4.42Å; W108-Y116 HydrophobicContact CE3-CD1 4.14Å; W108-Y116 HydrophobicContact CE3-CE1 4.46Å; W108-Y116 HydrophobicContact CZ3-CD1 4.16Å; W108-Y116 HydrophobicContact CZ3-CE1 4.03Å; F109-Y116 CarbonylContact O-C 3.55Å; F109-Y116 WeakPolarHBondContact O-CA 3.18Å; E110-Y116 HydrophobicContact CB-CD1 4.06Å; E110-Y116 HydrophobicContact CB-CE1 3.65Å; E110-Y116 VanDerWaalsContact CD-OH 3.24Å; E110-Y116 HydrophobicContact CG-CD1 4.38Å; E110-Y116 HydrophobicContact CG-CE1 3.74Å; E110-Y116 HydrophobicContact CG-CE2 4.27Å; E110-Y116 PolarHBondContact OE1-OH 2.96Å
117L96.4Very high93Very high5 Ų540.9 Ų40.93%0.02622%0.219CC..EExtended strand (participates in β ladder)trans-109.5123.8171.4-54.9178.2000108.2F26 M32 I58 K59 Q60 W108 F109 I111F26-L117 HydrophobicContact CB-CD1 4.32Å; F26-L117 HydrophobicContact CD1-CD1 3.8Å; F26-L117 HydrophobicContact CD2-CD1 3.77Å; F26-L117 HydrophobicContact CE1-CD1 4.03Å; F26-L117 HydrophobicContact CE2-CD1 3.99Å; F26-L117 HydrophobicContact CG-CD1 3.67Å; F26-L117 HydrophobicContact CZ-CD1 4.12Å; M32-L117 HydrophobicContact CE-CD2 4.13Å; I58-L117 HydrophobicContact CG2-CB 4.23Å; I58-L117 HydrophobicContact CG2-CD2 4.41Å; K59-L117 CarbonylContact O-C 3.52Å; K59-L117 WeakPolarHBondContact O-CA 3.37Å; Q60-L117 HydrophobicContact CB-CD2 3.84Å; Q60-L117 HydrophobicContact CG-CD2 3.76Å; W108-L117 CarbonylContact C-O 3.56Å; W108-L117 WeakPolarHBondContact CA-O 3.4Å; F109-L117 HydrophobicContact CB-CB 4.3Å; F109-L117 PolarHBondContact N-O 2.95Å; F109-L117 PolarHBondContact O-N 2.93Å; I111-L117 HydrophobicContact CD1-CD1 4.13Å; I111-L117 HydrophobicContact CG1-CD1 4.25Å; I111-L117 HydrophobicContact CG1-CG 4.24Å
118I96.2Very high93.1Very high0 Ų041 Ų410%022%0.22CC..EExtended strand (participates in β ladder)trans-110.4124.6174.1-49178.6000108I58 K59 I61 E82 I83 L86 M105 F120I58-I118 CarbonylContact C-O 3.5Å; I58-I118 WeakPolarHBondContact CA-O 3.38Å; K59-I118 HydrophobicContact CB-CB 4.41Å; K59-I118 PolarHBondContact N-O 3.01Å; K59-I118 PolarHBondContact O-N 3.07Å; I61-I118 HydrophobicContact CD1-CD1 3.65Å; I61-I118 HydrophobicContact CD1-CG1 4.37Å; E82-I118 HydrophobicContact CG-CD1 4.17Å; I83-I118 HydrophobicContact CD1-CD1 4.23Å; I83-I118 HydrophobicContact CD1-CG1 4.07Å; I83-I118 HydrophobicContact CG1-CD1 3.55Å; I83-I118 HydrophobicContact CG1-CG1 3.85Å; L86-I118 HydrophobicContact CD1-CG2 4.31Å; M105-I118 HydrophobicContact CG-CG2 3.64Å; M105-I118 HydrophobicContact SD-CG2 3.66Å; I118-F120 HydrophobicContact CB-CE2 3.72Å; I118-F120 HydrophobicContact CB-CZ 4.05Å; I118-F120 HydrophobicContact CG2-CD2 4.17Å; I118-F120 HydrophobicContact CG2-CE1 4.02Å; I118-F120 HydrophobicContact CG2-CE2 3.47Å; I118-F120 VanDerWaalsContact CG2-CE2 3.47Å; I118-F120 HydrophobicContact CG2-CZ 3.38Å
119V97.1Very high93.2Very high0 Ų039.6 Ų39.60%021%0.214CC..EExtended strand (participates in β ladder)trans-100.3124.4-179.3-172.60000109.4F26 Y30 V56 I58 M105 L106 D107 F109F26-V119 HydrophobicContact CE2-CG2 4.38Å; Y30-V119 HydrophobicContact CD1-CG1 4.05Å; Y30-V119 HydrophobicContact CD2-CG2 4.24Å; Y30-V119 HydrophobicContact CE1-CG1 3.65Å; Y30-V119 HydrophobicContact CE2-CG2 4.16Å; V56-V119 HydrophobicContact CB-CG1 3.83Å; V56-V119 HydrophobicContact CG1-CG1 3.97Å; V56-V119 HydrophobicContact CG2-CG1 4.04Å; I58-V119 HydrophobicContact CG1-CG2 4.42Å; M105-V119 CarbonylContact C-O 3.47Å; L106-V119 HydrophobicContact CB-CG1 4.36Å; L106-V119 HydrophobicContact CD1-CG1 4.49Å; L106-V119 PolarHBondContact N-O 2.83Å; D107-V119 HydrophobicContact CB-CB 4.11Å; D107-V119 HydrophobicContact CB-CG2 4.28Å; D107-V119 PolarHBondContact N-O 3.45Å; D107-V119 PolarHBondContact O-N 3.46Å; F109-V119 HydrophobicContact CD2-CG2 4.23Å; F109-V119 HydrophobicContact CE2-CG2 3.88Å
120F96.4Very high93.4Very high15 Ų1543.6 Ų43.67%0.06623%0.232CC..EExtended strand (participates in β ladder)trans-114.7156179.1-61.9-85.7000111.6V56 A57 K59 L86 I103 R104 M105 I118V56-F120 WeakPolarHBondContact CA-O 3.3Å; V56-F120 VanDerWaalsContact CB-O 3.31Å; V56-F120 WeakPolarHBondContact CB-O 3.29Å; A57-F120 HydrophobicContact CB-CB 4.41Å; A57-F120 PolarHBondContact N-O 2.87Å; A57-F120 PolarHBondContact O-N 3.02Å; K59-F120 HydrophobicContact CB-CD2 4.4Å; K59-F120 HydrophobicContact CB-CE2 3.76Å; K59-F120 HydrophobicContact CD-CE2 4.28Å; L86-F120 HydrophobicContact CD1-CE1 3.53Å; L86-F120 HydrophobicContact CD1-CZ 3.67Å; L86-F120 HydrophobicContact CD2-CE1 4.16Å; L86-F120 HydrophobicContact CG-CE1 4.5Å; I103-F120 HydrophobicContact CG1-CB 4.21Å; I103-F120 HydrophobicContact CG1-CD1 4.16Å; I103-F120 HydrophobicContact CG2-CD1 4.01Å; I103-F120 HydrophobicContact CG2-CE1 4.19Å; R104-F120 WeakPolarHBondContact O-CA 3.47Å; M105-F120 HydrophobicContact CB-CD1 4.26Å; M105-F120 HydrophobicContact CB-CE1 4.18Å; I118-F120 HydrophobicContact CB-CE2 3.72Å; I118-F120 HydrophobicContact CB-CZ 4.05Å; I118-F120 HydrophobicContact CG2-CD2 4.17Å; I118-F120 HydrophobicContact CG2-CE1 4.02Å; I118-F120 HydrophobicContact CG2-CE2 3.47Å; I118-F120 VanDerWaalsContact CG2-CE2 3.47Å; I118-F120 HydrophobicContact CG2-CZ 3.38Å
121E94.3Very high93.5Very high43 Ų4346.3 Ų46.320%0.20125%0.247CC..EExtended strand (participates in β ladder)trans-57.1145.716171.5-178.5157.100109.9I103 R104 L106 K183I103-E121 HydrophobicContact CD1-CG 3.49Å; I103-E121 VanDerWaalsContact CD1-CG 3.49Å; I103-E121 HydrophobicContact CG1-CG 4.12Å; R104-E121 HydrophobicContact CB-CB 4.47Å; R104-E121 HydrophobicContact CB-CG 4.05Å; R104-E121 WeakPolarHBondContact CB-OE1 3.49Å; R104-E121 PolarHBondContact N-OE1 2.91Å; R104-E121 PolarHBondContact O-N 3.37Å; L106-E121 HydrophobicContact CD1-CB 4.47Å; L106-E121 HydrophobicContact CD2-CB 4.46Å; E121-K183 WeakPolarHBondContact OE1-CE 3.37Å; E121-K183 IonicContact OE1-NZ 3.61Å; E121-K183 PolarHBondContact OE1-NZ 2.99Å; E121-K183 IonicContact OE2-NZ 3.64Å
122K94.2Very high93.8Very high63 Ų6345.7 Ų45.727%0.27424%0.244SC..  trans-119.6106.1174.1178.1163.8170.545.60110.6L36 V56 A57L36-K122 HydrophobicContact CD1-CD 4.32Å; V56-K122 VanDerWaalsContact C-CB 3.49Å; A57-K122 HydrophobicContact CB-CB 4.38Å
123P91.7Very high94.3Very high25 Ų2542 Ų4216%0.16222%0.22CC..  trans-59.3144.2170-18.630.7000110.6I103 C126 K183I103-P123 HydrophobicContact CD1-CG 4.4Å; P123-C126 HydrophobicContact CB-CB 3.85Å; P123-C126 HydrophobicContact CG-CB 4.48Å; P123-C126 PolarHBondContact O-SG 3.4Å; P123-C126 VanDerWaalsContact O-SG 3.38Å; P123-K183 HydrophobicContact CG-CD 3.95Å
124Q86.6Confident94.9Very high141 Ų14143.5 Ų43.566%0.65922%0.216SC*.SBendtrans-84.7-39.1-172.6-66.4-168.91000113.1
125H91.2Very high95.2Very high81 Ų8144.2 Ų44.238%0.37522%0.22SC..SBendtrans-111.953.8-177.1-57-70.3000109.8D176 T177 R178H125-D176 CarbonylContact O-C 3.58Å; H125-D176 VanDerWaalsContact O-CA 3.29Å; H125-D176 WeakPolarHBondContact O-CA 3.32Å; H125-T177 PolarHBondContact O-N 2.81Å; H125-T177 PolarHBondContact O-OG1 3.06Å; H125-R178 HydrophobicContact CB-CG 4Å; H125-R178 WeakPolarHBondContact CD2-CD 3.48Å
126C92.7Very high95.2Very high33 Ų3347.8 Ų47.822%0.22323%0.232CC..EExtended strand (participates in β ladder)trans-118.7149179.867.70000113P123 L174 V175P123-C126 HydrophobicContact CB-CB 3.85Å; P123-C126 HydrophobicContact CG-CB 4.48Å; P123-C126 PolarHBondContact O-SG 3.4Å; P123-C126 VanDerWaalsContact O-SG 3.38Å; C126-L174 HydrophobicContact CB-CB 4.49Å; C126-V175 WeakPolarHBondContact CA-O 3.25Å
127Q95.1Very high95.3Very high47 Ų4749.2 Ų49.222%0.2225%0.247CC..EExtended strand (participates in β ladder)trans-133.815716266.2-161.948.500108.1F132 E135 V175 T177Q127-F132 HydrophobicContact CG-CB 4.08Å; Q127-F132 HydrophobicContact CG-CD2 4.04Å; Q127-F132 VanDerWaalsContact NE2-CD2 3.31Å; Q127-E135 PolarHBondContact NE2-OE2 2.77Å; Q127-E135 VanDerWaalsContact NE2-OE2 3.15Å; Q127-V175 PolarHBondContact N-O 3.01Å; Q127-V175 PolarHBondContact O-N 3.07Å; Q127-T177 HydrophobicContact CG-CG2 3.68Å
128D96.6Very high95.3Very high43 Ų4350.8 Ų50.823%0.2326%0.261CS..EExtended strand (participates in β ladder)trans-69158.5170.156.769.5000111.1F130 D131 F132 I173 L174D128-F130 PolarHBondContact O-N 2.81Å; D128-F130 WeakPolarHBondContact OD1-CB 3.48Å; D128-F130 PolarHBondContact OD1-N 3.4Å; D128-D131 PolarHBondContact O-N 3.45Å; D128-D131 WeakPolarHBondContact OD1-CB 3.29Å; D128-D131 PolarHBondContact OD1-N 2.93Å; D128-F132 WeakPolarHBondContact O-CB 3.49Å; D128-F132 PolarHBondContact O-N 3.49Å; D128-I173 CarbonylContact C-O 3.54Å; D128-I173 VanDerWaalsContact CA-O 3.3Å; D128-I173 WeakPolarHBondContact CA-O 3.41Å; D128-L174 HydrophobicContact CB-CD2 4.13Å
129L98.3Very high95.4Very high1 Ų151.4 Ų51.41%0.00526%0.264CS..Hα-helixtrans-69.8-26.1-175.3-18061.5000111.3F132 I133 L139 F147 D170 I173 V175 L231 M235L129-F132 HydrophobicContact CD1-CB 4.3Å; L129-F132 HydrophobicContact CD1-CD1 4.16Å; L129-F132 WeakPolarHBondContact O-CB 3.32Å; L129-F132 PolarHBondContact O-N 3.09Å; L129-I133 HydrophobicContact CD1-CD1 4.01Å; L129-I133 HydrophobicContact CD1-CG1 4.02Å; L129-I133 HydrophobicContact CD2-CD1 4.48Å; L129-I133 HydrophobicContact CG-CD1 3.81Å; L129-I133 HydrophobicContact CG-CG1 4.28Å; L129-I133 WeakPolarHBondContact O-CB 3.49Å; L129-I133 VanDerWaalsContact O-CG1 3.28Å; L129-I133 WeakPolarHBondContact O-CG1 3.49Å; L129-I133 PolarHBondContact O-N 3.44Å; L129-L139 HydrophobicContact CD1-CD1 4.19Å; L129-F147 HydrophobicContact CD1-CD2 3.89Å; L129-F147 HydrophobicContact CD1-CE2 3.94Å; L129-D170 HydrophobicContact CB-CB 4.15Å; L129-D170 WeakPolarHBondContact CB-O 3.13Å; L129-D170 HydrophobicContact CD2-CB 4.29Å; L129-D170 HydrophobicContact CG-CB 4.09Å; L129-D170 PolarHBondContact N-O 2.82Å; L129-I173 HydrophobicContact CB-CB 4.08Å; L129-I173 HydrophobicContact CB-CG2 4.25Å; L129-I173 HydrophobicContact CD2-CB 4.33Å; L129-I173 HydrophobicContact CD2-CD1 4.13Å; L129-I173 HydrophobicContact CD2-CG2 4.26Å; L129-I173 PolarHBondContact N-O 2.99Å; L129-V175 HydrophobicContact CB-CG2 4.06Å; L129-V175 HydrophobicContact CD1-CG2 3.96Å; L129-L231 HydrophobicContact CD2-CD1 4.01Å; L129-M235 HydrophobicContact CD2-CG 4.11Å; L129-M235 HydrophobicContact CD2-SD 4.08Å
130F97.7Very high95.3Very high86 Ų8656.8 Ų56.838%0.37729%0.293SS..Hα-helixtrans-61.3-53.4173.3173.3-88.3000110.9D128 F132 I133 T134 D170 E171D128-F130 PolarHBondContact O-N 2.81Å; D128-F130 WeakPolarHBondContact OD1-CB 3.48Å; D128-F130 PolarHBondContact OD1-N 3.4Å; F130-F132 VanDerWaalsContact C-N 3.29Å; F130-F132 PolarHBondContact O-N 3.35Å; F130-I133 PolarHBondContact O-N 3.28Å; F130-T134 VanDerWaalsContact O-CB 3.32Å; F130-T134 WeakPolarHBondContact O-CB 3.38Å; F130-T134 PolarHBondContact O-N 3.42Å; F130-T134 PolarHBondContact O-OG1 3.31Å; F130-D170 HydrophobicContact CB-CB 4.35Å; F130-D170 WeakPolarHBondContact CB-OD2 3.39Å; F130-D170 VanDerWaalsContact CD2-OD2 3.28Å; F130-D170 WeakPolarHBondContact CD2-OD2 2.96Å; F130-E171 HydrophobicContact CB-CG 3.87Å; F130-E171 HydrophobicContact CD2-CG 4.2Å; F130-E171 HydrophobicContact CG-CG 4.1Å
131D96.8Very high95.4Very high71 Ų7157.9 Ų57.938%0.3830%0.298SS..Hα-helixtrans-63.5-37.7176.1-81.7-12.8000110.7D128 I133 T134 E135D128-D131 PolarHBondContact O-N 3.45Å; D128-D131 WeakPolarHBondContact OD1-CB 3.29Å; D128-D131 PolarHBondContact OD1-N 2.93Å; D131-I133 PolarHBondContact O-N 2.96Å; D131-T134 PolarHBondContact O-N 2.92Å; D131-E135 WeakPolarHBondContact O-CB 3.32Å; D131-E135 VanDerWaalsContact O-CG 3.28Å; D131-E135 WeakPolarHBondContact O-CG 3.27Å; D131-E135 PolarHBondContact O-N 2.82Å
132F97.8Very high95.5Very high0 Ų058.5 Ų58.50%031%0.307CS..Hα-helixtrans-59.5-43.6175.4-166.9-84.4000113.7Q127 D128 L129 F130 R136 L139 L143 F147 V175 T177 L300Q127-F132 HydrophobicContact CG-CB 4.08Å; Q127-F132 HydrophobicContact CG-CD2 4.04Å; Q127-F132 VanDerWaalsContact NE2-CD2 3.31Å; D128-F132 WeakPolarHBondContact O-CB 3.49Å; D128-F132 PolarHBondContact O-N 3.49Å; L129-F132 HydrophobicContact CD1-CB 4.3Å; L129-F132 HydrophobicContact CD1-CD1 4.16Å; L129-F132 WeakPolarHBondContact O-CB 3.32Å; L129-F132 PolarHBondContact O-N 3.09Å; F130-F132 VanDerWaalsContact C-N 3.29Å; F130-F132 PolarHBondContact O-N 3.35Å; F132-R136 WeakPolarHBondContact O-CB 3.27Å; F132-R136 WeakPolarHBondContact O-CG 3.45Å; F132-R136 PolarHBondContact O-N 2.83Å; F132-L139 HydrophobicContact CD1-CD1 4.35Å; F132-L139 HydrophobicContact CD1-CD2 3.86Å; F132-L139 HydrophobicContact CE1-CD1 4.27Å; F132-L139 HydrophobicContact CE1-CD2 3.67Å; F132-L143 HydrophobicContact CE1-CD2 3.98Å; F132-L143 HydrophobicContact CZ-CD2 4.12Å; F132-F147 HydrophobicContact CD1-CE2 4.36Å; F132-F147 AromaticContact CE1-CE2 3.98Å; F132-F147 HydrophobicContact CE1-CE2 3.98Å; F132-F147 HydrophobicContact CE1-CZ 4.35Å; F132-F147 HydrophobicContact CZ-CE2 4.37Å; F132-F147 HydrophobicContact CZ-CZ 4.29Å; F132-V175 HydrophobicContact CD2-CB 4.43Å; F132-V175 HydrophobicContact CD2-CG1 4.25Å; F132-V175 HydrophobicContact CE2-CG1 4.16Å; F132-T177 HydrophobicContact CD2-CG2 4.35Å; F132-T177 HydrophobicContact CE2-CG2 4.43Å; F132-L300 HydrophobicContact CE2-CD1 4.38Å; F132-L300 HydrophobicContact CZ-CD1 4.27Å
133I97.8Very high95.6Very high6 Ų656.7 Ų56.73%0.03130%0.3CS..Hα-helixtrans-73.4-40.6175.8-67.5166.4000110.2L129 F130 D131 E135 R136 G137 L139 D170 D234 M235L129-I133 HydrophobicContact CD1-CD1 4.01Å; L129-I133 HydrophobicContact CD1-CG1 4.02Å; L129-I133 HydrophobicContact CD2-CD1 4.48Å; L129-I133 HydrophobicContact CG-CD1 3.81Å; L129-I133 HydrophobicContact CG-CG1 4.28Å; L129-I133 WeakPolarHBondContact O-CB 3.49Å; L129-I133 VanDerWaalsContact O-CG1 3.28Å; L129-I133 WeakPolarHBondContact O-CG1 3.49Å; L129-I133 PolarHBondContact O-N 3.44Å; F130-I133 PolarHBondContact O-N 3.28Å; D131-I133 PolarHBondContact O-N 2.96Å; I133-E135 VanDerWaalsContact C-N 3.32Å; I133-E135 PolarHBondContact O-N 2.83Å; I133-R136 PolarHBondContact O-N 2.69Å; I133-G137 CarbonylContact O-C 3.56Å; I133-G137 WeakPolarHBondContact O-CA 3.42Å; I133-G137 PolarHBondContact O-N 2.88Å; I133-L139 HydrophobicContact CG1-CD1 4.22Å; I133-L139 HydrophobicContact CG1-CD2 4.41Å; I133-L139 HydrophobicContact CG1-CG 4.21Å; I133-D170 HydrophobicContact CD1-CB 4.45Å; I133-D234 WeakPolarHBondContact CD1-OD2 3.46Å; I133-M235 HydrophobicContact CD1-CG 4.07Å
134T97Very high95.9Very high91 Ų9155.5 Ų55.556%0.55829%0.293SS*.Hα-helixtrans-59.4-42.4179-64.10000111.8F130 D131F130-T134 VanDerWaalsContact O-CB 3.32Å; F130-T134 WeakPolarHBondContact O-CB 3.38Å; F130-T134 PolarHBondContact O-N 3.42Å; F130-T134 PolarHBondContact O-OG1 3.31Å; D131-T134 PolarHBondContact O-N 2.92Å
135E96.4Very high96.5Very high139 Ų13949.7 Ų49.765%0.6526%0.264SS*.Hα-helixtrans-75.2-36.9-179.5-70.9176.7163.700113.3Q127 D131 I133Q127-E135 PolarHBondContact NE2-OE2 2.77Å; Q127-E135 VanDerWaalsContact NE2-OE2 3.15Å; D131-E135 WeakPolarHBondContact O-CB 3.32Å; D131-E135 VanDerWaalsContact O-CG 3.28Å; D131-E135 WeakPolarHBondContact O-CG 3.27Å; D131-E135 PolarHBondContact O-N 2.82Å; I133-E135 VanDerWaalsContact C-N 3.32Å; I133-E135 PolarHBondContact O-N 2.83Å
136R94.9Very high96.8Very high112 Ų11249 Ų4942%0.42326%0.259SS..Hα-helixtrans-99.5-16.4-172.6-62.4-177.6179.4-133.42113.9F132 I133F132-R136 WeakPolarHBondContact O-CB 3.27Å; F132-R136 WeakPolarHBondContact O-CG 3.45Å; F132-R136 PolarHBondContact O-N 2.83Å; I133-R136 PolarHBondContact O-N 2.69Å
137G96Very high97.1Very high32 Ų3247.5 Ų47.533%0.3325%0.248SC..  trans72.2-160.6-164.600000112.3I133 L139I133-G137 CarbonylContact O-C 3.56Å; I133-G137 WeakPolarHBondContact O-CA 3.42Å; I133-G137 PolarHBondContact O-N 2.88Å; G137-L139 PolarHBondContact O-N 3.2Å
138A96.7Very high97.3Very high38 Ų3845.4 Ų45.431%0.31424%0.239SC..SBendtrans-52.9132.8176.200000111.8V236 K257A138-V236 WeakPolarHBondContact CB-O 3.41Å; A138-K257 HydrophobicContact CB-CG 4.47Å
139L97.6Very high97.4Very high13 Ų1348.4 Ų48.47%0.06825%0.249CC..PPolyproline II helixtrans-82.1148.3180-51.7-174000111.2L129 F132 I133 G137 F147 M235L129-L139 HydrophobicContact CD1-CD1 4.19Å; F132-L139 HydrophobicContact CD1-CD1 4.35Å; F132-L139 HydrophobicContact CD1-CD2 3.86Å; F132-L139 HydrophobicContact CE1-CD1 4.27Å; F132-L139 HydrophobicContact CE1-CD2 3.67Å; I133-L139 HydrophobicContact CG1-CD1 4.22Å; I133-L139 HydrophobicContact CG1-CD2 4.41Å; I133-L139 HydrophobicContact CG1-CG 4.21Å; G137-L139 PolarHBondContact O-N 3.2Å; L139-F147 HydrophobicContact CD1-CD2 4.05Å; L139-F147 HydrophobicContact CD1-CE2 4.06Å; L139-M235 WeakPolarHBondContact CB-O 3.45Å; L139-M235 HydrophobicContact CD1-CB 4.18Å; L139-M235 HydrophobicContact CD1-CG 4.15Å; L139-M235 WeakPolarHBondContact CG-O 3.43Å; L139-M235 PolarHBondContact N-O 3.14Å
140D96.3Very high97.4Very high112 Ų11249 Ų4960%0.59925%0.252SS*.PPolyproline II helixtrans-62.6142.4168.3-72.3-27.1000110.9S142 L143 A144D140-S142 PolarHBondContact O-N 3.49Å; D140-S142 VanDerWaalsContact O-N 3.09Å; D140-L143 PolarHBondContact O-N 3Å; D140-A144 PolarHBondContact O-N 2.81Å
141E97.8Very high97.4Very high39 Ų3945 Ų4518%0.18224%0.235CC..Hα-helixtrans-57.9-30.7-175.5-72.5-176.2-13900113.2R145 V236 I259 S260 C263 W289E141-R145 WeakPolarHBondContact O-CB 3.41Å; E141-R145 PolarHBondContact O-N 3.44Å; E141-V236 HydrophobicContact CG-CG1 4.34Å; E141-I259 WeakPolarHBondContact OE1-CA 3.5Å; E141-I259 WeakPolarHBondContact OE1-CB 3.5Å; E141-S260 PolarHBondContact OE1-N 2.97Å; E141-S260 WeakPolarHBondContact OE2-CB 3.18Å; E141-S260 PolarHBondContact OE2-OG 3.31Å; E141-C263 WeakPolarHBondContact OE2-CB 3.43Å; E141-W289 HydrophobicContact CB-CZ2 3.95Å; E141-W289 HydrophobicContact CG-CZ2 4.28Å; E141-W289 WeakPolarHBondContact O-CZ2 3.49Å; E141-W289 PolarHBondContact OE2-NE1 2.89Å
142S96.5Very high97.5Very high55 Ų5541.6 Ų41.639%0.38522%0.217SC..Hα-helixtrans-62-45.3175-169.90000112D140 R146D140-S142 PolarHBondContact O-N 3.49Å; D140-S142 VanDerWaalsContact O-N 3.09Å; S142-R146 PolarHBondContact O-N 3.27Å; S142-R146 VanDerWaalsContact O-N 3.12Å
143L96.7Very high97.6Very high26 Ų2643.9 Ų43.914%0.13623%0.227CC..Hα-helixtrans-71.4-45.3178.7-176.657.1000111.1F132 D140 R145 R146 F147 L300F132-L143 HydrophobicContact CE1-CD2 3.98Å; F132-L143 HydrophobicContact CZ-CD2 4.12Å; D140-L143 PolarHBondContact O-N 3Å; L143-R145 VanDerWaalsContact C-N 3.27Å; L143-R145 PolarHBondContact O-N 3.27Å; L143-R146 WeakPolarHBondContact O-CB 3.36Å; L143-R146 PolarHBondContact O-N 3.39Å; L143-R146 VanDerWaalsContact O-N 3.1Å; L143-F147 HydrophobicContact CD1-CD1 4.07Å; L143-F147 HydrophobicContact CD1-CE1 3.5Å; L143-F147 VanDerWaalsContact CD1-CE1 3.5Å; L143-F147 HydrophobicContact CD1-CE2 4.07Å; L143-F147 HydrophobicContact CD1-CZ 3.5Å; L143-F147 HydrophobicContact CD2-CE2 4.23Å; L143-F147 HydrophobicContact CD2-CZ 4.18Å; L143-F147 HydrophobicContact CG-CD2 4.36Å; L143-F147 HydrophobicContact CG-CE1 4.26Å; L143-F147 HydrophobicContact CG-CE2 3.93Å; L143-F147 HydrophobicContact CG-CZ 3.88Å; L143-F147 PolarHBondContact O-N 2.9Å; L143-L300 HydrophobicContact CD1-CD2 3.74Å; L143-L300 HydrophobicContact CD2-CD2 3.91Å; L143-L300 HydrophobicContact CG-CD2 4.49Å
144A98.4Very high97.6Very high0 Ų043.6 Ų43.60%023%0.226CC..Hα-helixtrans-57.6-40.2176.100000111.8D140 F147 L148 L232 M235 V236 W289D140-A144 PolarHBondContact O-N 2.81Å; A144-F147 PolarHBondContact O-N 3.33Å; A144-L148 VanDerWaalsContact O-CB 3.28Å; A144-L148 WeakPolarHBondContact O-CB 3.37Å; A144-L148 PolarHBondContact O-N 2.85Å; A144-L232 HydrophobicContact CB-CD1 4.43Å; A144-M235 HydrophobicContact CB-CB 3.98Å; A144-M235 HydrophobicContact CB-CE 4.46Å; A144-M235 HydrophobicContact CB-SD 4.33Å; A144-V236 HydrophobicContact CB-CG1 3.62Å; A144-W289 HydrophobicContact CB-CH2 4.3Å
145R98.3Very high97.7Very high18 Ų1839.4 Ų39.47%0.06820%0.2CC..Hα-helixtrans-62.7-45.7174.6-178-172.4-58.5122.6-1.6111.9E141 L143 F147 L148 K149 W289 M290 E292E141-R145 WeakPolarHBondContact O-CB 3.41Å; E141-R145 PolarHBondContact O-N 3.44Å; L143-R145 VanDerWaalsContact C-N 3.27Å; L143-R145 PolarHBondContact O-N 3.27Å; R145-F147 VanDerWaalsContact C-N 3.34Å; R145-F147 PolarHBondContact O-N 2.86Å; R145-L148 PolarHBondContact O-N 3.18Å; R145-K149 WeakPolarHBondContact O-CB 3.45Å; R145-K149 PolarHBondContact O-N 3.08Å; R145-W289 VanDerWaalsContact CA-CH2 3.46Å; R145-W289 HydrophobicContact CB-CH2 3.62Å; R145-W289 HydrophobicContact CB-CZ2 4.02Å; R145-W289 HydrophobicContact CB-CZ3 3.9Å; R145-W289 HydrophobicContact CG-CE3 4.48Å; R145-W289 HydrophobicContact CG-CH2 4.39Å; R145-W289 HydrophobicContact CG-CZ3 4.19Å; R145-W289 PolarHBondContact NE-O 3.42Å; R145-W289 PolarHBondContact NH2-O 2.95Å; R145-M290 HydrophobicContact CG-CE 4.35Å; R145-M290 HydrophobicContact CG-SD 3.85Å; R145-E292 IonicContact CZ-OE2 3.63Å; R145-E292 IonicContact NH1-OE2 2.73Å; R145-E292 IonicContact NH2-OE2 3.48Å; R145-E292 PolarHBondContact NH2-OE2 2.89Å
146R97.6Very high97.8Very high68 Ų6835.4 Ų35.426%0.25718%0.182SC..Hα-helixtrans-60.8-43.6177.5-178.9176.5174.3-163.9-8.2111.3S142 L143 Q150 T179 D181S142-R146 PolarHBondContact O-N 3.27Å; S142-R146 VanDerWaalsContact O-N 3.12Å; L143-R146 WeakPolarHBondContact O-CB 3.36Å; L143-R146 PolarHBondContact O-N 3.39Å; L143-R146 VanDerWaalsContact O-N 3.1Å; R146-Q150 WeakPolarHBondContact O-CG 3.46Å; R146-Q150 PolarHBondContact O-N 3.37Å; R146-Q150 PolarHBondContact O-NE2 2.9Å; R146-T179 PolarHBondContact NH1-O 2.93Å; R146-T179 PolarHBondContact NH2-O 2.96Å; R146-D181 IonicContact NH2-OD1 3.61Å
147F98.7Very high97.9Very high0 Ų031.6 Ų31.60%017%0.168CC..Hα-helixtrans-67.2-49.7176.7-70.1-6.6000111.6L129 F132 L139 L143 A144 R145 K149 Q150 V151 V175 G180 I182 M235L129-F147 HydrophobicContact CD1-CD2 3.89Å; L129-F147 HydrophobicContact CD1-CE2 3.94Å; F132-F147 HydrophobicContact CD1-CE2 4.36Å; F132-F147 AromaticContact CE1-CE2 3.98Å; F132-F147 HydrophobicContact CE1-CE2 3.98Å; F132-F147 HydrophobicContact CE1-CZ 4.35Å; F132-F147 HydrophobicContact CZ-CE2 4.37Å; F132-F147 HydrophobicContact CZ-CZ 4.29Å; L139-F147 HydrophobicContact CD1-CD2 4.05Å; L139-F147 HydrophobicContact CD1-CE2 4.06Å; L143-F147 HydrophobicContact CD1-CD1 4.07Å; L143-F147 HydrophobicContact CD1-CE1 3.5Å; L143-F147 VanDerWaalsContact CD1-CE1 3.5Å; L143-F147 HydrophobicContact CD1-CE2 4.07Å; L143-F147 HydrophobicContact CD1-CZ 3.5Å; L143-F147 HydrophobicContact CD2-CE2 4.23Å; L143-F147 HydrophobicContact CD2-CZ 4.18Å; L143-F147 HydrophobicContact CG-CD2 4.36Å; L143-F147 HydrophobicContact CG-CE1 4.26Å; L143-F147 HydrophobicContact CG-CE2 3.93Å; L143-F147 HydrophobicContact CG-CZ 3.88Å; L143-F147 PolarHBondContact O-N 2.9Å; A144-F147 PolarHBondContact O-N 3.33Å; R145-F147 VanDerWaalsContact C-N 3.34Å; R145-F147 PolarHBondContact O-N 2.86Å; F147-K149 VanDerWaalsContact C-N 3.29Å; F147-K149 PolarHBondContact O-N 3.09Å; F147-Q150 PolarHBondContact O-N 2.93Å; F147-Q150 VanDerWaalsContact O-N 3.09Å; F147-V151 WeakPolarHBondContact O-CG2 3.39Å; F147-V151 PolarHBondContact O-N 3.33Å; F147-V175 HydrophobicContact CE1-CG1 4.03Å; F147-V175 HydrophobicContact CE2-CG1 4.12Å; F147-V175 HydrophobicContact CE2-CG2 4.1Å; F147-V175 HydrophobicContact CZ-CG1 3.47Å; F147-V175 VanDerWaalsContact CZ-CG1 3.47Å; F147-V175 HydrophobicContact CZ-CG2 4.23Å; F147-G180 WeakPolarHBondContact CE1-O 3.39Å; F147-I182 HydrophobicContact CB-CG2 4.37Å; F147-I182 HydrophobicContact CD1-CG2 3.76Å; F147-I182 HydrophobicContact CE1-CG2 4.25Å; F147-I182 HydrophobicContact CG-CG2 4.09Å; F147-M235 HydrophobicContact CB-SD 3.88Å; F147-M235 HydrophobicContact CD2-SD 4.3Å
148L98.8Very high98Very high4 Ų430.2 Ų30.22%0.02115%0.153CC..Hα-helixtrans-56.9-43.1179.5-171.569.2000111.8A144 R145 Q150 V151 I152 L228 L232 M235 L266 W289 M290A144-L148 VanDerWaalsContact O-CB 3.28Å; A144-L148 WeakPolarHBondContact O-CB 3.37Å; A144-L148 PolarHBondContact O-N 2.85Å; R145-L148 PolarHBondContact O-N 3.18Å; L148-Q150 PolarHBondContact O-N 2.82Å; L148-V151 PolarHBondContact O-N 3.42Å; L148-I152 HydrophobicContact CD1-CD1 4.45Å; L148-I152 HydrophobicContact CD2-CD1 4.29Å; L148-I152 HydrophobicContact CG-CD1 3.86Å; L148-I152 HydrophobicContact CG-CG1 4.41Å; L148-I152 VanDerWaalsContact O-CG1 3.29Å; L148-I152 WeakPolarHBondContact O-CG1 3.44Å; L148-I152 PolarHBondContact O-N 3.39Å; L148-L228 HydrophobicContact CD1-CD2 4.05Å; L148-L232 HydrophobicContact CD1-CB 4.37Å; L148-L232 HydrophobicContact CD2-CB 4.34Å; L148-L232 HydrophobicContact CD2-CD1 4.18Å; L148-L232 HydrophobicContact CD2-CD2 3.9Å; L148-L232 HydrophobicContact CD2-CG 4.34Å; L148-M235 HydrophobicContact CB-CE 4.04Å; L148-M235 HydrophobicContact CD1-CE 4.22Å; L148-L266 HydrophobicContact CD2-CD2 4.35Å; L148-W289 HydrophobicContact CD2-CZ3 3.91Å; L148-M290 HydrophobicContact CD2-CE 4.45Å; L148-M290 HydrophobicContact CD2-SD 3.95Å
149K98.6Very high98Very high105 Ų10529.6 Ų29.646%0.45714%0.144SC..Hα-helixtrans-56.7-48.9176.7-176.2176.5177.7179.90111.5R145 F147 V151 I152 E153 L285 M290R145-K149 WeakPolarHBondContact O-CB 3.45Å; R145-K149 PolarHBondContact O-N 3.08Å; F147-K149 VanDerWaalsContact C-N 3.29Å; F147-K149 PolarHBondContact O-N 3.09Å; K149-V151 PolarHBondContact O-N 3.26Å; K149-I152 PolarHBondContact O-N 3.48Å; K149-E153 VanDerWaalsContact CE-OE1 3.26Å; K149-E153 WeakPolarHBondContact CE-OE1 3.42Å; K149-E153 WeakPolarHBondContact O-CG 3.44Å; K149-E153 PolarHBondContact O-N 3.21Å; K149-L285 HydrophobicContact CG-CD2 4.13Å; K149-M290 HydrophobicContact CB-CE 3.75Å; K149-M290 HydrophobicContact CG-CE 4.42Å
150Q98.7Very high98Very high13 Ų1333.1 Ų33.16%0.06117%0.17CC..Hα-helixtrans-66.3-36.9180-66.8179.269.600112.4R146 F147 L148 E153 A154 G180 I182R146-Q150 WeakPolarHBondContact O-CG 3.46Å; R146-Q150 PolarHBondContact O-N 3.37Å; R146-Q150 PolarHBondContact O-NE2 2.9Å; F147-Q150 PolarHBondContact O-N 2.93Å; F147-Q150 VanDerWaalsContact O-N 3.09Å; L148-Q150 PolarHBondContact O-N 2.82Å; Q150-E153 PolarHBondContact O-N 3.23Å; Q150-A154 WeakPolarHBondContact O-CB 3.34Å; Q150-A154 PolarHBondContact O-N 3.23Å; Q150-G180 PolarHBondContact NE2-O 2.92Å; Q150-I182 HydrophobicContact CB-CD1 4.11Å; Q150-I182 HydrophobicContact CB-CG1 3.38Å; Q150-I182 HydrophobicContact CG-CG1 4.39Å
151V98.9Very high97.9Very high2 Ų231.8 Ų31.81%0.01216%0.159CC..Hα-helixtrans-63.4-44.5174.4176.20000110.5F147 L148 K149 A154 V155 I168 I173 I182 L228 L231F147-V151 WeakPolarHBondContact O-CG2 3.39Å; F147-V151 PolarHBondContact O-N 3.33Å; L148-V151 PolarHBondContact O-N 3.42Å; K149-V151 PolarHBondContact O-N 3.26Å; V151-A154 WeakPolarHBondContact O-CB 3.14Å; V151-A154 PolarHBondContact O-N 3.26Å; V151-V155 HydrophobicContact CG1-CG2 4.39Å; V151-V155 WeakPolarHBondContact O-CB 3.41Å; V151-V155 WeakPolarHBondContact O-CG2 3.48Å; V151-V155 PolarHBondContact O-N 3.07Å; V151-I168 HydrophobicContact CG1-CG2 4.15Å; V151-I173 HydrophobicContact CG1-CD1 4.36Å; V151-I173 HydrophobicContact CG2-CD1 3.69Å; V151-I173 HydrophobicContact CG2-CG1 4.34Å; V151-I182 HydrophobicContact CG2-CD1 4.01Å; V151-I182 HydrophobicContact CG2-CG1 4.21Å; V151-L228 HydrophobicContact CG1-CD2 3.71Å; V151-L231 HydrophobicContact CG1-CD2 4.2Å; V151-L231 HydrophobicContact CG2-CD2 4.49Å
152I98.8Very high97.9Very high0 Ų031.3 Ų31.30%016%0.164CC..Hα-helixtrans-62.6-45177-67.7166000111L148 K149 A154 V155 Q156 L228 L281 I284 L285 M290L148-I152 HydrophobicContact CD1-CD1 4.45Å; L148-I152 HydrophobicContact CD2-CD1 4.29Å; L148-I152 HydrophobicContact CG-CD1 3.86Å; L148-I152 HydrophobicContact CG-CG1 4.41Å; L148-I152 VanDerWaalsContact O-CG1 3.29Å; L148-I152 WeakPolarHBondContact O-CG1 3.44Å; L148-I152 PolarHBondContact O-N 3.39Å; K149-I152 PolarHBondContact O-N 3.48Å; I152-A154 VanDerWaalsContact C-N 3.29Å; I152-A154 PolarHBondContact O-N 2.77Å; I152-V155 PolarHBondContact O-N 3.22Å; I152-Q156 HydrophobicContact CG2-CG 4.27Å; I152-Q156 WeakPolarHBondContact O-CB 3.3Å; I152-Q156 WeakPolarHBondContact O-CG 3.46Å; I152-Q156 PolarHBondContact O-N 2.98Å; I152-L228 HydrophobicContact CG1-CD1 4.01Å; I152-L228 HydrophobicContact CG1-CD2 4.35Å; I152-L281 HydrophobicContact CG2-CB 4.09Å; I152-L281 HydrophobicContact CG2-CD2 4.49Å; I152-I284 HydrophobicContact CD1-CB 4.23Å; I152-I284 HydrophobicContact CD1-CG2 3.41Å; I152-I284 VanDerWaalsContact CD1-CG2 3.41Å; I152-L285 HydrophobicContact CB-CD2 4.27Å; I152-L285 HydrophobicContact CD1-CD2 4.12Å; I152-L285 HydrophobicContact CD1-CG 4.49Å; I152-L285 HydrophobicContact CG2-CD1 3.87Å; I152-L285 HydrophobicContact CG2-CD2 4.02Å; I152-L285 HydrophobicContact CG2-CG 3.86Å; I152-M290 HydrophobicContact CD1-CE 4.49Å
153E98.5Very high97.9Very high48 Ų4828.9 Ų28.922%0.22415%0.147CC..Hα-helixtrans-57.7-43176.1-73.5173.2-174.100111.4R100 K149 Q150 F157R100-E153 IonicContact CZ-OE2 2.65Å; R100-E153 IonicContact NH1-OE2 3.44Å; R100-E153 IonicContact NH2-OE2 3.44Å; R100-E153 PolarHBondContact NH2-OE2 3.2Å; K149-E153 VanDerWaalsContact CE-OE1 3.26Å; K149-E153 WeakPolarHBondContact CE-OE1 3.42Å; K149-E153 WeakPolarHBondContact O-CG 3.44Å; K149-E153 PolarHBondContact O-N 3.21Å; Q150-E153 PolarHBondContact O-N 3.23Å; E153-F157 PolarHBondContact O-N 2.93Å
154A98.6Very high98Very high0 Ų027.7 Ų27.70%014%0.14CC..Hα-helixtrans-65.1-42.8176.700000112.6I102 Q150 V151 I152 F157 C158 V184I102-A154 HydrophobicContact CD1-CB 3.73Å; I102-A154 HydrophobicContact CG1-CB 4.39Å; Q150-A154 WeakPolarHBondContact O-CB 3.34Å; Q150-A154 PolarHBondContact O-N 3.23Å; V151-A154 WeakPolarHBondContact O-CB 3.14Å; V151-A154 PolarHBondContact O-N 3.26Å; I152-A154 VanDerWaalsContact C-N 3.29Å; I152-A154 PolarHBondContact O-N 2.77Å; A154-F157 WeakPolarHBondContact O-CB 3.49Å; A154-F157 PolarHBondContact O-N 3.35Å; A154-C158 PolarHBondContact O-N 3.34Å; A154-C158 PolarHBondContact O-SG 3.32Å; A154-V184 HydrophobicContact CB-CG2 3.94Å
155V98.5Very high98Very high4 Ų428 Ų282%0.02414%0.142CC..Hα-helixtrans-66.1-42.9176.5167.10000111.6V151 I152 F157 C158 H159 I168 T224 L281V151-V155 HydrophobicContact CG1-CG2 4.39Å; V151-V155 WeakPolarHBondContact O-CB 3.41Å; V151-V155 WeakPolarHBondContact O-CG2 3.48Å; V151-V155 PolarHBondContact O-N 3.07Å; I152-V155 PolarHBondContact O-N 3.22Å; V155-F157 VanDerWaalsContact C-N 3.26Å; V155-F157 PolarHBondContact O-N 2.88Å; V155-C158 WeakPolarHBondContact O-CB 3.4Å; V155-C158 PolarHBondContact O-N 3.39Å; V155-C158 VanDerWaalsContact O-N 3.12Å; V155-H159 PolarHBondContact O-N 3.32Å; V155-I168 HydrophobicContact CG2-CD1 3.88Å; V155-I168 HydrophobicContact CG2-CG1 4.17Å; V155-T224 HydrophobicContact CG1-CG2 3.53Å; V155-L281 HydrophobicContact CG1-CD1 3.8Å
156Q98.3Very high98Very high55 Ų5527.4 Ų27.426%0.25714%0.14SC..Hα-helixtrans-58.6-40.4174.5-78.2-177.5-47.900111I152 H159 S160 L281 E282I152-Q156 HydrophobicContact CG2-CG 4.27Å; I152-Q156 WeakPolarHBondContact O-CB 3.3Å; I152-Q156 WeakPolarHBondContact O-CG 3.46Å; I152-Q156 PolarHBondContact O-N 2.98Å; Q156-H159 PolarHBondContact O-N 3.33Å; Q156-S160 WeakPolarHBondContact O-CB 3.49Å; Q156-S160 PolarHBondContact O-N 2.93Å; Q156-L281 HydrophobicContact CG-CB 4.09Å; Q156-L281 HydrophobicContact CG-CD1 3.66Å; Q156-E282 PolarHBondContact NE2-OE1 2.9Å
157F97.9Very high98Very high31 Ų3124.3 Ų24.314%0.13613%0.128CC..Hα-helixtrans-60.4-48.4172.8175.3-100.3000111.8L89 H99 I102 E153 A154 V155 H159 S160 K161L89-F157 HydrophobicContact CB-CE1 4.33Å; L89-F157 HydrophobicContact CD2-CD1 4.15Å; L89-F157 HydrophobicContact CD2-CE1 3.86Å; H99-F157 HydrophobicContact CB-CB 4.11Å; H99-F157 HydrophobicContact CB-CD1 3.4Å; H99-F157 HydrophobicContact CB-CD2 3.92Å; H99-F157 HydrophobicContact CB-CE1 3.65Å; H99-F157 HydrophobicContact CB-CE2 4.14Å; H99-F157 HydrophobicContact CB-CG 3.53Å; H99-F157 HydrophobicContact CB-CZ 4.01Å; H99-F157 AromaticContact CG-CG 3.96Å; I102-F157 HydrophobicContact CG1-CD1 4.18Å; E153-F157 PolarHBondContact O-N 2.93Å; A154-F157 WeakPolarHBondContact O-CB 3.49Å; A154-F157 PolarHBondContact O-N 3.35Å; V155-F157 VanDerWaalsContact C-N 3.26Å; V155-F157 PolarHBondContact O-N 2.88Å; F157-H159 VanDerWaalsContact C-N 3.35Å; F157-H159 PolarHBondContact O-N 3.01Å; F157-S160 WeakPolarHBondContact O-CB 3.44Å; F157-S160 PolarHBondContact O-N 2.78Å; F157-S160 VanDerWaalsContact O-N 3.16Å; F157-S160 PolarHBondContact O-OG 2.94Å; F157-K161 HydrophobicContact CE1-CG 4.33Å; F157-K161 HydrophobicContact CE2-CG 4.41Å; F157-K161 HydrophobicContact CZ-CG 4.18Å; F157-K161 WeakPolarHBondContact O-CG 3.42Å; F157-K161 PolarHBondContact O-N 3.22Å
158C97.9Very high98Very high3 Ų324.4 Ų24.42%0.0213%0.129CC..Hα-helixtrans-56.1-47.8175.8-67.90000112.1L89 A154 V155 S160 K161 G162 I163L89-C158 HydrophobicContact CD2-CB 4.38Å; A154-C158 PolarHBondContact O-N 3.34Å; A154-C158 PolarHBondContact O-SG 3.32Å; V155-C158 WeakPolarHBondContact O-CB 3.4Å; V155-C158 PolarHBondContact O-N 3.39Å; V155-C158 VanDerWaalsContact O-N 3.12Å; C158-S160 VanDerWaalsContact C-N 3.31Å; C158-S160 PolarHBondContact O-N 3.47Å; C158-K161 CarbonylContact O-C 3.58Å; C158-K161 WeakPolarHBondContact O-CA 3.49Å; C158-K161 WeakPolarHBondContact O-CB 3.39Å; C158-K161 PolarHBondContact O-N 3.15Å; C158-G162 PolarHBondContact O-N 2.68Å; C158-I163 CarbonylContact C-O 3.54Å; C158-I163 PolarHBondContact O-N 2.71Å; C158-I163 VanDerWaalsContact O-O 3.11Å
159H97.6Very high98Very high25 Ų2524.9 Ų24.912%0.11613%0.131CC..Hα-helixtrans-61.2-39.1177.8-68.3176.9000111.9V155 Q156 F157 K161 G162 I163 L193 L221V155-H159 PolarHBondContact O-N 3.32Å; Q156-H159 PolarHBondContact O-N 3.33Å; F157-H159 VanDerWaalsContact C-N 3.35Å; F157-H159 PolarHBondContact O-N 3.01Å; H159-K161 PolarHBondContact O-N 2.76Å; H159-G162 WeakPolarHBondContact O-CA 3.38Å; H159-G162 PolarHBondContact O-N 2.93Å; H159-I163 PolarHBondContact CD2-O 2.84Å; H159-I163 PolarHBondContact N-O 3.4Å; H159-L193 HydrophobicContact CB-CD2 4.09Å; H159-L221 WeakPolarHBondContact ND1-CD2 3.28Å
160S96.2Very high98Very high88 Ų8820.3 Ų20.362%0.61511%0.111SC*.Hα-helixtrans-63.4-21.9175.682.50000113.6Q156 F157 C158 G162Q156-S160 WeakPolarHBondContact O-CB 3.49Å; Q156-S160 PolarHBondContact O-N 2.93Å; F157-S160 WeakPolarHBondContact O-CB 3.44Å; F157-S160 PolarHBondContact O-N 2.78Å; F157-S160 VanDerWaalsContact O-N 3.16Å; F157-S160 PolarHBondContact O-OG 2.94Å; C158-S160 VanDerWaalsContact C-N 3.31Å; C158-S160 PolarHBondContact O-N 3.47Å; S160-G162 VanDerWaalsContact C-N 3.35Å
161K95.9Very high97.9Very high84 Ų8424 Ų2437%0.36513%0.128SC..THydrogen-bonded Turntrans-93.36.5173.5-60.6-61.5-176.3177.90112.8L89 F157 C158 H159 I163L89-K161 HydrophobicContact CD2-CB 3.96Å; L89-K161 HydrophobicContact CD2-CG 4.01Å; F157-K161 HydrophobicContact CE1-CG 4.33Å; F157-K161 HydrophobicContact CE2-CG 4.41Å; F157-K161 HydrophobicContact CZ-CG 4.18Å; F157-K161 WeakPolarHBondContact O-CG 3.42Å; F157-K161 PolarHBondContact O-N 3.22Å; C158-K161 CarbonylContact O-C 3.58Å; C158-K161 WeakPolarHBondContact O-CA 3.49Å; C158-K161 WeakPolarHBondContact O-CB 3.39Å; C158-K161 PolarHBondContact O-N 3.15Å; H159-K161 PolarHBondContact O-N 2.76Å; K161-I163 HydrophobicContact CB-CD1 4.3Å
162G96.6Very high97.9Very high28 Ų2824.3 Ų24.329%0.28913%0.13SC..THydrogen-bonded Turntrans70.732.2-179.100000112.7C158 H159 S160 T192 L193C158-G162 PolarHBondContact O-N 2.68Å; H159-G162 WeakPolarHBondContact O-CA 3.38Å; H159-G162 PolarHBondContact O-N 2.93Å; S160-G162 VanDerWaalsContact C-N 3.35Å; G162-T192 CarbonylContact O-C 3.45Å; G162-T192 WeakPolarHBondContact O-CA 3.41Å; G162-L193 VanDerWaalsContact C-CB 3.41Å; G162-L193 WeakPolarHBondContact O-CB 3.41Å; G162-L193 PolarHBondContact O-N 2.71Å
163I97.6Very high97.9Very high5 Ų524.3 Ų24.33%0.02613%0.13CC..EExtended strand (participates in β ladder)trans-124.9135.8-177.3-64.1170.1000109.5L85 L89 C158 H159 K161 F187 A191L85-I163 HydrophobicContact CB-CD1 4.33Å; L85-I163 HydrophobicContact CD1-CG2 4.46Å; L85-I163 HydrophobicContact CD2-CD1 4.18Å; L85-I163 HydrophobicContact CD2-CG1 3.97Å; L85-I163 HydrophobicContact CD2-CG2 4.11Å; L89-I163 HydrophobicContact CD1-CD1 4.24Å; L89-I163 HydrophobicContact CD2-CD1 3.75Å; L89-I163 HydrophobicContact CG-CD1 3.68Å; C158-I163 CarbonylContact C-O 3.54Å; C158-I163 PolarHBondContact O-N 2.71Å; C158-I163 VanDerWaalsContact O-O 3.11Å; H159-I163 PolarHBondContact CD2-O 2.84Å; H159-I163 PolarHBondContact N-O 3.4Å; K161-I163 HydrophobicContact CB-CD1 4.3Å; I163-F187 HydrophobicContact CG2-CD1 4.33Å; I163-F187 HydrophobicContact CG2-CE1 4.3Å; I163-A191 WeakPolarHBondContact CA-O 3.13Å
164V98.3Very high97.8Very high0 Ų023.4 Ų23.40%013%0.126CC..EExtended strand (participates in β ladder)trans-112.1134169.157.10000109.8R166 G190 A191 L193 Y198 A220V164-R166 HydrophobicContact CB-CG 4.34Å; V164-R166 HydrophobicContact CG1-CG 3.84Å; V164-R166 HydrophobicContact CG2-CG 3.75Å; V164-G190 CarbonylContact O-C 3.58Å; V164-G190 VanDerWaalsContact O-CA 3.27Å; V164-G190 WeakPolarHBondContact O-CA 3.49Å; V164-A191 HydrophobicContact CG1-CB 4.12Å; V164-A191 WeakPolarHBondContact CG1-O 3.45Å; V164-A191 PolarHBondContact N-O 3.09Å; V164-A191 PolarHBondContact O-N 2.97Å; V164-L193 HydrophobicContact CB-CD1 4.2Å; V164-Y198 HydrophobicContact CG1-CE1 4.48Å; V164-A220 HydrophobicContact CB-CB 4.14Å; V164-A220 HydrophobicContact CG1-CB 4.25Å; V164-A220 HydrophobicContact CG2-CB 3.85Å
165H98.4Very high97.8Very high6 Ų623.4 Ų23.43%0.02813%0.126CC..  trans-73.9-40.7-177.8-166.8-81.8000113.3D167 I168 V184 I185 D186 F187 S189 G190H165-D167 PolarHBondContact CE1-O 2.96Å; H165-D167 VanDerWaalsContact ND1-C 3.3Å; H165-D167 PolarHBondContact ND1-N 2.93Å; H165-D167 PolarHBondContact ND1-O 2.82Å; H165-D167 PolarHBondContact O-N 3.32Å; H165-I168 HydrophobicContact CB-CD1 3.79Å; H165-I168 HydrophobicContact CB-CG1 4.05Å; H165-V184 WeakPolarHBondContact NE2-CG1 3.48Å; H165-I185 PolarHBondContact CE1-O 3.12Å; H165-I185 PolarHBondContact NE2-O 2.78Å; H165-D186 PolarHBondContact CE1-O 2.88Å; H165-D186 PolarHBondContact NE2-O 3.37Å; H165-F187 AromaticContact CD2-CD1 3.88Å; H165-F187 AromaticContact CD2-CE1 3.6Å; H165-F187 AromaticContact CD2-CE2 3.96Å; H165-F187 AromaticContact CD2-CZ 3.65Å; H165-S189 CarbonylContact O-C 3.59Å; H165-G190 WeakPolarHBondContact O-CA 3.49Å; H165-G190 PolarHBondContact O-N 3.1Å
166R97.8Very high97.7Very high6 Ų624.9 Ų24.92%0.02313%0.134CC..SBendtrans62.8-10.7-179-53.3-164.5-66.3171.43117.5V164 S189 D200 F201 Y218V164-R166 HydrophobicContact CB-CG 4.34Å; V164-R166 HydrophobicContact CG1-CG 3.84Å; V164-R166 HydrophobicContact CG2-CG 3.75Å; R166-S189 PolarHBondContact NE-O 2.81Å; R166-S189 PolarHBondContact NH2-O 3.38Å; R166-D200 IonicContact CZ-OD2 2.92Å; R166-D200 PolarHBondContact NH1-O 3.43Å; R166-D200 IonicContact NH1-OD1 3.76Å; R166-D200 IonicContact NH1-OD2 3.76Å; R166-D200 PolarHBondContact NH1-OD2 3.28Å; R166-D200 IonicContact NH2-OD2 3.7Å; R166-F201 WeakPolarHBondContact O-CE2 3.15Å; R166-Y218 VanDerWaalsContact CD-OH 3.24Å; R166-Y218 WeakPolarHBondContact CD-OH 3.18Å; R166-Y218 PolarHBondContact NH1-OH 3.31Å; R166-Y218 VanDerWaalsContact NH1-OH 3.13Å
167D97.8Very high97.5Very high3 Ų323.9 Ų23.92%0.01613%0.132CC..  trans-131.351.1176.8-160.736.1000112.8H165 K169 N172 T204H165-D167 PolarHBondContact CE1-O 2.96Å; H165-D167 VanDerWaalsContact ND1-C 3.3Å; H165-D167 PolarHBondContact ND1-N 2.93Å; H165-D167 PolarHBondContact ND1-O 2.82Å; H165-D167 PolarHBondContact O-N 3.32Å; D167-K169 PolarHBondContact O-N 2.83Å; D167-K169 VanDerWaalsContact OD2-CE 3.23Å; D167-K169 WeakPolarHBondContact OD2-CE 3.48Å; D167-K169 IonicContact OD2-NZ 3.67Å; D167-N172 PolarHBondContact O-ND2 3.38Å; D167-N172 PolarHBondContact OD2-ND2 3.27Å; D167-T204 VanDerWaalsContact OD1-CB 3.25Å; D167-T204 WeakPolarHBondContact OD1-CB 3.25Å; D167-T204 PolarHBondContact OD1-N 3.25Å; D167-T204 PolarHBondContact OD1-OG1 2.68Å
168I98.7Very high97.3Very high3 Ų328 Ų282%0.01515%0.147CC..  trans-75.9116.6174.4-62.4-64.4000108.7V151 V155 H165 V184 Y207 L228 L231V151-I168 HydrophobicContact CG1-CG2 4.15Å; V155-I168 HydrophobicContact CG2-CD1 3.88Å; V155-I168 HydrophobicContact CG2-CG1 4.17Å; H165-I168 HydrophobicContact CB-CD1 3.79Å; H165-I168 HydrophobicContact CB-CG1 4.05Å; I168-V184 HydrophobicContact CD1-CG1 3.94Å; I168-Y207 WeakPolarHBondContact O-CD1 3.35Å; I168-L228 HydrophobicContact CG2-CD2 4.19Å; I168-L231 HydrophobicContact CG2-CD2 3.98Å
169K98.4Very high97.1Very high14 Ų1430.3 Ų30.36%0.06116%0.161CC..SBendtrans-157.9166.6178.657176176.1174.70109.7D167 E171 N172 I173 T204 Y207D167-K169 PolarHBondContact O-N 2.83Å; D167-K169 VanDerWaalsContact OD2-CE 3.23Å; D167-K169 WeakPolarHBondContact OD2-CE 3.48Å; D167-K169 IonicContact OD2-NZ 3.67Å; K169-E171 HydrophobicContact CD-CB 4.12Å; K169-E171 WeakPolarHBondContact CD-OE2 3.08Å; K169-E171 VanDerWaalsContact CE-OE2 3.25Å; K169-E171 WeakPolarHBondContact CE-OE2 3.16Å; K169-E171 HydrophobicContact CG-CB 4.31Å; K169-E171 IonicContact NZ-OE2 3.5Å; K169-E171 PolarHBondContact NZ-OE2 3.05Å; K169-E171 PolarHBondContact O-N 3.08Å; K169-N172 VanDerWaalsContact CE-ND2 3.29Å; K169-N172 WeakPolarHBondContact CE-ND2 3.49Å; K169-N172 HydrophobicContact CG-CB 4.05Å; K169-N172 PolarHBondContact O-N 3.14Å; K169-N172 VanDerWaalsContact O-N 3.08Å; K169-I173 WeakPolarHBondContact O-CD1 3.27Å; K169-I173 WeakPolarHBondContact O-CG1 3.49Å; K169-T204 HydrophobicContact CD-CG2 4.35Å; K169-T204 WeakPolarHBondContact CD-OG1 3.35Å; K169-T204 VanDerWaalsContact CE-OG1 3.28Å; K169-T204 WeakPolarHBondContact CE-OG1 3.47Å; K169-T204 PolarHBondContact NZ-OG1 3.08Å; K169-Y207 HydrophobicContact CB-CD1 3.96Å; K169-Y207 HydrophobicContact CB-CD2 3.9Å; K169-Y207 HydrophobicContact CB-CE1 3.64Å; K169-Y207 HydrophobicContact CB-CE2 3.58Å; K169-Y207 HydrophobicContact CB-CG 4.09Å; K169-Y207 VanDerWaalsContact CB-CZ 3.44Å
170D98.4Very high96.9Very high9 Ų929.1 Ų29.15%0.04816%0.155CC..G310 helixtrans-54.5-44.7176.757.4-25000113.5L129 F130 I133 N172 I173 Y207 L231 D234L129-D170 HydrophobicContact CB-CB 4.15Å; L129-D170 WeakPolarHBondContact CB-O 3.13Å; L129-D170 HydrophobicContact CD2-CB 4.29Å; L129-D170 HydrophobicContact CG-CB 4.09Å; L129-D170 PolarHBondContact N-O 2.82Å; F130-D170 HydrophobicContact CB-CB 4.35Å; F130-D170 WeakPolarHBondContact CB-OD2 3.39Å; F130-D170 VanDerWaalsContact CD2-OD2 3.28Å; F130-D170 WeakPolarHBondContact CD2-OD2 2.96Å; I133-D170 HydrophobicContact CD1-CB 4.45Å; D170-N172 PolarHBondContact O-N 3.1Å; D170-N172 VanDerWaalsContact O-N 3.1Å; D170-I173 PolarHBondContact O-N 2.81Å; D170-I173 VanDerWaalsContact O-N 3.08Å; D170-Y207 PolarHBondContact OD1-OH 3.1Å; D170-L231 HydrophobicContact CB-CD1 4.04Å; D170-D234 WeakPolarHBondContact CB-OD2 3.22Å
171E97.1Very high96.9Very high89 Ų8928.4 Ų28.442%0.41615%0.145SC..G310 helixtrans-58.4-27.1175.9-62.9177.6117.800113.2F130 K169F130-E171 HydrophobicContact CB-CG 3.87Å; F130-E171 HydrophobicContact CD2-CG 4.2Å; F130-E171 HydrophobicContact CG-CG 4.1Å; K169-E171 HydrophobicContact CD-CB 4.12Å; K169-E171 WeakPolarHBondContact CD-OE2 3.08Å; K169-E171 VanDerWaalsContact CE-OE2 3.25Å; K169-E171 WeakPolarHBondContact CE-OE2 3.16Å; K169-E171 HydrophobicContact CG-CB 4.31Å; K169-E171 IonicContact NZ-OE2 3.5Å; K169-E171 PolarHBondContact NZ-OE2 3.05Å; K169-E171 PolarHBondContact O-N 3.08Å
172N97.9Very high97Very high10 Ų1024.6 Ų24.65%0.05313%0.128CC..G310 helixtrans-98.918.5-178.2-72.5-16.7000112.9D167 K169 D170 V184 I185D167-N172 PolarHBondContact O-ND2 3.38Å; D167-N172 PolarHBondContact OD2-ND2 3.27Å; K169-N172 VanDerWaalsContact CE-ND2 3.29Å; K169-N172 WeakPolarHBondContact CE-ND2 3.49Å; K169-N172 HydrophobicContact CG-CB 4.05Å; K169-N172 PolarHBondContact O-N 3.14Å; K169-N172 VanDerWaalsContact O-N 3.08Å; D170-N172 PolarHBondContact O-N 3.1Å; D170-N172 VanDerWaalsContact O-N 3.1Å; N172-V184 WeakPolarHBondContact O-CA 3.39Å; N172-I185 HydrophobicContact CB-CG1 4.28Å; N172-I185 WeakPolarHBondContact O-CG1 3.5Å; N172-I185 PolarHBondContact O-N 3.38Å
173I98.6Very high97.1Very high0 Ų025.3 Ų25.30%012%0.123CC..EExtended strand (participates in β ladder)trans-126114.8176.2-64.5163.8000108.8D128 L129 V151 K169 D170 I182 L231D128-I173 CarbonylContact C-O 3.54Å; D128-I173 VanDerWaalsContact CA-O 3.3Å; D128-I173 WeakPolarHBondContact CA-O 3.41Å; L129-I173 HydrophobicContact CB-CB 4.08Å; L129-I173 HydrophobicContact CB-CG2 4.25Å; L129-I173 HydrophobicContact CD2-CB 4.33Å; L129-I173 HydrophobicContact CD2-CD1 4.13Å; L129-I173 HydrophobicContact CD2-CG2 4.26Å; L129-I173 PolarHBondContact N-O 2.99Å; V151-I173 HydrophobicContact CG1-CD1 4.36Å; V151-I173 HydrophobicContact CG2-CD1 3.69Å; V151-I173 HydrophobicContact CG2-CG1 4.34Å; K169-I173 WeakPolarHBondContact O-CD1 3.27Å; K169-I173 WeakPolarHBondContact O-CG1 3.49Å; D170-I173 PolarHBondContact O-N 2.81Å; D170-I173 VanDerWaalsContact O-N 3.08Å; I173-I182 HydrophobicContact CG2-CB 3.93Å; I173-I182 HydrophobicContact CG2-CG2 4.24Å; I173-L231 HydrophobicContact CD1-CD1 4.02Å; I173-L231 HydrophobicContact CD1-CD2 3.43Å; I173-L231 VanDerWaalsContact CD1-CD2 3.43Å; I173-L231 HydrophobicContact CD1-CG 4.36Å
174L97.9Very high97.1Very high28 Ų2825.1 Ų25.115%0.14712%0.122CC..EExtended strand (participates in β ladder)trans-83.5136.6168.6-64.8179.2000110.2I103 C126 D128 I182 K183 I185I103-L174 HydrophobicContact CD1-CD1 4.39Å; C126-L174 HydrophobicContact CB-CB 4.49Å; D128-L174 HydrophobicContact CB-CD2 4.13Å; L174-I182 CarbonylContact O-C 3.44Å; L174-I182 WeakPolarHBondContact O-CA 3.48Å; L174-K183 HydrophobicContact CB-CB 4.4Å; L174-K183 PolarHBondContact N-O 2.97Å; L174-K183 PolarHBondContact O-N 3.18Å; L174-I185 HydrophobicContact CD1-CG2 3.65Å; L174-I185 HydrophobicContact CD2-CD1 4.31Å; L174-I185 HydrophobicContact CG-CD1 4.18Å; L174-I185 HydrophobicContact CG-CG2 3.72Å
175V97.9Very high97.1Very high0 Ų026.9 Ų26.90%013%0.132CC..EExtended strand (participates in β ladder)trans-112.4124.6174.3-177.40000108.7C126 Q127 L129 F132 F147 T177 I182C126-V175 WeakPolarHBondContact CA-O 3.25Å; Q127-V175 PolarHBondContact N-O 3.01Å; Q127-V175 PolarHBondContact O-N 3.07Å; L129-V175 HydrophobicContact CB-CG2 4.06Å; L129-V175 HydrophobicContact CD1-CG2 3.96Å; F132-V175 HydrophobicContact CD2-CB 4.43Å; F132-V175 HydrophobicContact CD2-CG1 4.25Å; F132-V175 HydrophobicContact CE2-CG1 4.16Å; F147-V175 HydrophobicContact CE1-CG1 4.03Å; F147-V175 HydrophobicContact CE2-CG1 4.12Å; F147-V175 HydrophobicContact CE2-CG2 4.1Å; F147-V175 HydrophobicContact CZ-CG1 3.47Å; F147-V175 VanDerWaalsContact CZ-CG1 3.47Å; F147-V175 HydrophobicContact CZ-CG2 4.23Å; V175-T177 PolarHBondContact O-N 3.34Å; V175-I182 HydrophobicContact CG2-CG2 4.42Å
176D96Very high96.9Very high36 Ų3627.8 Ų27.819%0.19314%0.136CC..EExtended strand (participates in β ladder)trans-72.9111.2164.6-177.4-69000109H125 R178 T179 G180 D181H125-D176 CarbonylContact O-C 3.58Å; H125-D176 VanDerWaalsContact O-CA 3.29Å; H125-D176 WeakPolarHBondContact O-CA 3.32Å; D176-R178 PolarHBondContact O-N 3.43Å; D176-R178 VanDerWaalsContact O-N 3.13Å; D176-R178 WeakPolarHBondContact OD1-CB 3.46Å; D176-R178 PolarHBondContact OD1-N 3.47Å; D176-T179 VanDerWaalsContact CB-OG1 3.3Å; D176-T179 WeakPolarHBondContact CB-OG1 3.35Å; D176-T179 PolarHBondContact O-N 2.89Å; D176-T179 PolarHBondContact OD1-N 2.88Å; D176-T179 PolarHBondContact OD1-OG1 2.49Å; D176-G180 WeakPolarHBondContact O-CA 3.39Å; D176-G180 PolarHBondContact O-N 3.07Å; D176-D181 PolarHBondContact N-O 3.35Å
177T94.6Very high96.8Very high34 Ų3427.5 Ų27.521%0.20914%0.135CC..THydrogen-bonded Turntrans-72.9-5.5-170590000114H125 Q127 F132 V175H125-T177 PolarHBondContact O-N 2.81Å; H125-T177 PolarHBondContact O-OG1 3.06Å; Q127-T177 HydrophobicContact CG-CG2 3.68Å; F132-T177 HydrophobicContact CD2-CG2 4.35Å; F132-T177 HydrophobicContact CE2-CG2 4.43Å; V175-T177 PolarHBondContact O-N 3.34Å
178R93.3Very high96.7Very high117 Ų11728.2 Ų28.244%0.44214%0.143SC..THydrogen-bonded Turntrans-94.1-51.3173.1-61.9-179.152.3-153.3-14110.7H125 D176 L300H125-R178 HydrophobicContact CB-CG 4Å; H125-R178 WeakPolarHBondContact CD2-CD 3.48Å; D176-R178 PolarHBondContact O-N 3.43Å; D176-R178 VanDerWaalsContact O-N 3.13Å; D176-R178 WeakPolarHBondContact OD1-CB 3.46Å; D176-R178 PolarHBondContact OD1-N 3.47Å; R178-L300 PolarHBondContact O-N 3.19Å
179T93.8Very high96.5Very high51 Ų5128.1 Ų28.131%0.31314%0.143SC..THydrogen-bonded Turntrans-90.6-31.1-169.958.50000112.7R146 D176 D181R146-T179 PolarHBondContact NH1-O 2.93Å; R146-T179 PolarHBondContact NH2-O 2.96Å; D176-T179 VanDerWaalsContact CB-OG1 3.3Å; D176-T179 WeakPolarHBondContact CB-OG1 3.35Å; D176-T179 PolarHBondContact O-N 2.89Å; D176-T179 PolarHBondContact OD1-N 2.88Å; D176-T179 PolarHBondContact OD1-OG1 2.49Å; T179-D181 VanDerWaalsContact C-N 3.33Å; T179-D181 PolarHBondContact OG1-N 2.91Å
180G94.1Very high96.4Very high0 Ų027.4 Ų27.40%014%0.14CC..  trans79.614.6-168.500000113.6F147 Q150 D176F147-G180 WeakPolarHBondContact CE1-O 3.39Å; Q150-G180 PolarHBondContact NE2-O 2.92Å; D176-G180 WeakPolarHBondContact O-CA 3.39Å; D176-G180 PolarHBondContact O-N 3.07Å
181D96.8Very high96.3Very high74 Ų7427.5 Ų27.540%0.39614%0.141SC..  trans-76.8137172.3-72.9-10.2000110.2R146 D176 T179R146-D181 IonicContact NH2-OD1 3.61Å; D176-D181 PolarHBondContact N-O 3.35Å; T179-D181 VanDerWaalsContact C-N 3.33Å; T179-D181 PolarHBondContact OG1-N 2.91Å
182I97.8Very high96.3Very high3 Ų327.8 Ų27.82%0.01515%0.15CC..EExtended strand (participates in β ladder)trans-103.1157.1179.872.783.8000112G101 F147 Q150 V151 I173 L174 V175 V184G101-I182 WeakPolarHBondContact CA-O 3.28Å; F147-I182 HydrophobicContact CB-CG2 4.37Å; F147-I182 HydrophobicContact CD1-CG2 3.76Å; F147-I182 HydrophobicContact CE1-CG2 4.25Å; F147-I182 HydrophobicContact CG-CG2 4.09Å; Q150-I182 HydrophobicContact CB-CD1 4.11Å; Q150-I182 HydrophobicContact CB-CG1 3.38Å; Q150-I182 HydrophobicContact CG-CG1 4.39Å; V151-I182 HydrophobicContact CG2-CD1 4.01Å; V151-I182 HydrophobicContact CG2-CG1 4.21Å; I173-I182 HydrophobicContact CG2-CB 3.93Å; I173-I182 HydrophobicContact CG2-CG2 4.24Å; L174-I182 CarbonylContact O-C 3.44Å; L174-I182 WeakPolarHBondContact O-CA 3.48Å; V175-I182 HydrophobicContact CG2-CG2 4.42Å; I182-V184 HydrophobicContact CD1-CG2 4.15Å
183K98.1Very high96.2Very high43 Ų4329.5 Ų29.519%0.18716%0.159CC..EExtended strand (participates in β ladder)trans-136.5123166-71.5178.1174.9-76.10110.2R100 G101 I103 E121 P123 L174R100-K183 PolarHBondContact O-NZ 3.48Å; G101-K183 CarbonylContact O-C 3.47Å; G101-K183 WeakPolarHBondContact O-CA 3.46Å; I103-K183 HydrophobicContact CD1-CD 3.91Å; E121-K183 WeakPolarHBondContact OE1-CE 3.37Å; E121-K183 IonicContact OE1-NZ 3.61Å; E121-K183 PolarHBondContact OE1-NZ 2.99Å; E121-K183 IonicContact OE2-NZ 3.64Å; P123-K183 HydrophobicContact CG-CD 3.95Å; L174-K183 HydrophobicContact CB-CB 4.4Å; L174-K183 PolarHBondContact N-O 2.97Å; L174-K183 PolarHBondContact O-N 3.18Å
184V98.4Very high96.2Very high2 Ų233.5 Ų33.51%0.01218%0.176CC..EExtended strand (participates in β ladder)trans-72.4132.9169-177.10000109G101 I102 I103 A154 H165 I168 N172 I182G101-V184 PolarHBondContact O-N 3.33Å; I102-V184 HydrophobicContact CD1-CB 3.89Å; I102-V184 HydrophobicContact CD1-CG2 4.32Å; I103-V184 WeakPolarHBondContact CG2-O 3.15Å; I103-V184 PolarHBondContact N-O 2.66Å; A154-V184 HydrophobicContact CB-CG2 3.94Å; H165-V184 WeakPolarHBondContact NE2-CG1 3.48Å; I168-V184 HydrophobicContact CD1-CG1 3.94Å; N172-V184 WeakPolarHBondContact O-CA 3.39Å; I182-V184 HydrophobicContact CD1-CG2 4.15Å
185I97.1Very high96.1Very high37 Ų3739.3 Ų39.319%0.1921%0.207CC..  trans-122.1170.3179.866.2168.7000111.2I103 H165 N172 L174I103-I185 HydrophobicContact CB-CG2 3.81Å; I103-I185 HydrophobicContact CG1-CG2 4.2Å; I103-I185 HydrophobicContact CG2-CB 4.13Å; I103-I185 HydrophobicContact CG2-CG2 3.86Å; H165-I185 PolarHBondContact CE1-O 3.12Å; H165-I185 PolarHBondContact NE2-O 2.78Å; N172-I185 HydrophobicContact CB-CG1 4.28Å; N172-I185 WeakPolarHBondContact O-CG1 3.5Å; N172-I185 PolarHBondContact O-N 3.38Å; L174-I185 HydrophobicContact CD1-CG2 3.65Å; L174-I185 HydrophobicContact CD2-CD1 4.31Å; L174-I185 HydrophobicContact CG-CD1 4.18Å; L174-I185 HydrophobicContact CG-CG2 3.72Å
186D94.6Very high96Very high24 Ų2442.8 Ų42.813%0.12823%0.231CC..  trans61.588.5172.6-151-33.9000116.3F41 K59 H165 G188F41-D186 WeakPolarHBondContact CB-OD2 3.33Å; F41-D186 WeakPolarHBondContact CG-OD2 3.35Å; K59-D186 IonicContact NZ-OD1 3.64Å; K59-D186 PolarHBondContact NZ-OD1 3.02Å; K59-D186 IonicContact NZ-OD2 3.36Å; K59-D186 PolarHBondContact NZ-OD2 3.21Å; H165-D186 PolarHBondContact CE1-O 2.88Å; H165-D186 PolarHBondContact NE2-O 3.37Å; D186-G188 VanDerWaalsContact C-N 3.28Å; D186-G188 PolarHBondContact O-N 3.41Å; D186-G188 WeakPolarHBondContact OD1-CA 3.32Å; D186-G188 PolarHBondContact OD1-N 3.25Å
187F95.8Very high96.1Very high1 Ų145.6 Ų45.60%0.00425%0.245CC..  trans-92.717.5174.9-75.8-101.2000112.5E82 L86 L89 I102 I163 H165 S189 G190E82-F187 HydrophobicContact CG-CB 4.1Å; L86-F187 HydrophobicContact CD2-CB 4.38Å; L86-F187 HydrophobicContact CD2-CD2 3.62Å; L86-F187 HydrophobicContact CD2-CE2 4.19Å; L86-F187 HydrophobicContact CD2-CG 4.13Å; L86-F187 HydrophobicContact CG-CB 4.32Å; L86-F187 HydrophobicContact CG-CD2 4.45Å; L89-F187 HydrophobicContact CD1-CD1 3.83Å; L89-F187 HydrophobicContact CD1-CE1 3.26Å; L89-F187 HydrophobicContact CD1-CE2 4.1Å; L89-F187 HydrophobicContact CD1-CG 4.44Å; L89-F187 HydrophobicContact CD1-CZ 3.41Å; L89-F187 VanDerWaalsContact CD1-CZ 3.41Å; I102-F187 HydrophobicContact CD1-CZ 4.12Å; I102-F187 HydrophobicContact CG2-CE2 3.87Å; I102-F187 HydrophobicContact CG2-CZ 4Å; I163-F187 HydrophobicContact CG2-CD1 4.33Å; I163-F187 HydrophobicContact CG2-CE1 4.3Å; H165-F187 AromaticContact CD2-CD1 3.88Å; H165-F187 AromaticContact CD2-CE1 3.6Å; H165-F187 AromaticContact CD2-CE2 3.96Å; H165-F187 AromaticContact CD2-CZ 3.65Å; F187-S189 VanDerWaalsContact C-N 3.28Å; F187-S189 PolarHBondContact O-N 3.11Å; F187-G190 PolarHBondContact O-N 2.94Å
188G94.4Very high96.3Very high17 Ų1744.2 Ų44.218%0.17524%0.235CC..THydrogen-bonded Turntrans-57.2-40.2-178.800000112.9D186D186-G188 VanDerWaalsContact C-N 3.28Å; D186-G188 PolarHBondContact O-N 3.41Å; D186-G188 WeakPolarHBondContact OD1-CA 3.32Å; D186-G188 PolarHBondContact OD1-N 3.25Å
189S94.9Very high96.5Very high1 Ų143.2 Ų43.21%0.00724%0.242CC..THydrogen-bonded Turntrans-88.90.6176.6-50.70000113.5F41 H165 R166 F187 E202F41-S189 WeakPolarHBondContact CE1-OG 3.33Å; H165-S189 CarbonylContact O-C 3.59Å; R166-S189 PolarHBondContact NE-O 2.81Å; R166-S189 PolarHBondContact NH2-O 3.38Å; F187-S189 VanDerWaalsContact C-N 3.28Å; F187-S189 PolarHBondContact O-N 3.11Å; S189-E202 WeakPolarHBondContact CB-O 3.26Å; S189-E202 PolarHBondContact OG-O 2.63Å
190G96.4Very high96.6Very high0 Ų043.5 Ų43.50%024%0.242CC..  trans-66.5164.2-175.400000113.4N81 V164 H165 F187N81-G190 PolarHBondContact ND2-O 2.97Å; V164-G190 CarbonylContact O-C 3.58Å; V164-G190 VanDerWaalsContact O-CA 3.27Å; V164-G190 WeakPolarHBondContact O-CA 3.49Å; H165-G190 WeakPolarHBondContact O-CA 3.49Å; H165-G190 PolarHBondContact O-N 3.1Å; F187-G190 PolarHBondContact O-N 2.94Å
191A96.5Very high96.5Very high10 Ų1045 Ų458%0.08325%0.248CC..EExtended strand (participates in β ladder)trans-150.6165.417500000111.8I163 V164 L193 Y198I163-A191 WeakPolarHBondContact CA-O 3.13Å; V164-A191 HydrophobicContact CG1-CB 4.12Å; V164-A191 WeakPolarHBondContact CG1-O 3.45Å; V164-A191 PolarHBondContact N-O 3.09Å; V164-A191 PolarHBondContact O-N 2.97Å; A191-L193 PolarHBondContact O-N 2.87Å; A191-Y198 HydrophobicContact CB-CE1 4.05Å
192T96.4Very high96.2Very high96 Ų9643.9 Ų43.959%0.58924%0.241SC*.EExtended strand (participates in β ladder)trans-61.3129.9165.2-53.20000109.4G162 Y198G162-T192 CarbonylContact O-C 3.45Å; G162-T192 WeakPolarHBondContact O-CA 3.41Å; T192-Y198 PolarHBondContact O-OH 3.37Å
193L97.5Very high96Very high46 Ų4644.6 Ų44.624%0.24125%0.249CC..  trans-67.1130.3174.5-178.363.4000109.8H159 G162 V164 A191 Y198 A220H159-L193 HydrophobicContact CB-CD2 4.09Å; G162-L193 VanDerWaalsContact C-CB 3.41Å; G162-L193 WeakPolarHBondContact O-CB 3.41Å; G162-L193 PolarHBondContact O-N 2.71Å; V164-L193 HydrophobicContact CB-CD1 4.2Å; A191-L193 PolarHBondContact O-N 2.87Å; L193-Y198 WeakPolarHBondContact CA-OH 3.21Å; L193-A220 HydrophobicContact CD1-CB 3.5Å
194K97.1Very high95.9Very high83 Ų8344.1 Ų44.136%0.36125%0.25SC..  trans-142.9154.6176.675.3-165.1-175.2179.70110.4S196 M197 Y198K194-S196 WeakPolarHBondContact CD-OG 3.47Å; K194-S196 WeakPolarHBondContact CE-O 3.46Å; K194-S196 WeakPolarHBondContact CE-OG 3.28Å; K194-S196 WeakPolarHBondContact CG-O 3.37Å; K194-S196 WeakPolarHBondContact CG-OG 3.28Å; K194-M197 VanDerWaalsContact CE-O 3.31Å; K194-M197 WeakPolarHBondContact CE-O 3.43Å; K194-M197 PolarHBondContact NZ-O 3.47Å; K194-Y198 HydrophobicContact CD-CE1 4.16Å; K194-Y198 HydrophobicContact CD-CE2 4.3Å; K194-Y198 HydrophobicContact CG-CE1 4.36Å; K194-Y198 HydrophobicContact CG-CE2 3.78Å; K194-Y198 PolarHBondContact N-OH 3.05Å
195D96Very high95.9Very high151 Ų15149.6 Ų49.681%0.80727%0.27SS*.SBendtrans-75.5-27.4178.3-61.7-32.6000112.5H219D195-H219 PolarHBondContact O-CE1 3.44Å; D195-H219 PolarHBondContact O-ND1 3.19Å
196S97.4Very high96Very high72 Ų7249.7 Ų49.750%0.50327%0.272SS..SBendtrans-71.2157.7178.662.30000112.2K194K194-S196 WeakPolarHBondContact CD-OG 3.47Å; K194-S196 WeakPolarHBondContact CE-O 3.46Å; K194-S196 WeakPolarHBondContact CE-OG 3.28Å; K194-S196 WeakPolarHBondContact CG-O 3.37Å; K194-S196 WeakPolarHBondContact CG-OG 3.28Å
197M97.3Very high96.1Very high96 Ų9649 Ų4947%0.47327%0.268SS..PPolyproline II helixtrans-62.6145.6178.2-68.4-179.6173.200111.8K194 K217 Y218 H219K194-M197 VanDerWaalsContact CE-O 3.31Å; K194-M197 WeakPolarHBondContact CE-O 3.43Å; K194-M197 PolarHBondContact NZ-O 3.47Å; M197-K217 HydrophobicContact SD-CB 4.18Å; M197-K217 HydrophobicContact SD-CD 4.13Å; M197-Y218 WeakPolarHBondContact CA-O 3.47Å; M197-H219 VanDerWaalsContact CE-NE2 3.31Å; M197-H219 WeakPolarHBondContact CE-NE2 3.48Å; M197-H219 WeakPolarHBondContact CG-NE2 3.46Å
198Y98.3Very high96.3Very high4 Ų449 Ų492%0.01627%0.268CS..BIsolated β-bridgetrans-90.7143.2165.1-64.9-102.3000108.6V164 A191 T192 L193 K194 K217 Y218 A220V164-Y198 HydrophobicContact CG1-CE1 4.48Å; A191-Y198 HydrophobicContact CB-CE1 4.05Å; T192-Y198 PolarHBondContact O-OH 3.37Å; L193-Y198 WeakPolarHBondContact CA-OH 3.21Å; K194-Y198 HydrophobicContact CD-CE1 4.16Å; K194-Y198 HydrophobicContact CD-CE2 4.3Å; K194-Y198 HydrophobicContact CG-CE1 4.36Å; K194-Y198 HydrophobicContact CG-CE2 3.78Å; K194-Y198 PolarHBondContact N-OH 3.05Å; Y198-K217 VanDerWaalsContact O-CA 3.31Å; Y198-K217 WeakPolarHBondContact O-CA 3.36Å; Y198-Y218 WeakPolarHBondContact CB-OH 3.5Å; Y198-Y218 HydrophobicContact CD1-CE2 4.47Å; Y198-Y218 HydrophobicContact CD2-CD2 4.2Å; Y198-Y218 AromaticContact CD2-CE2 3.75Å; Y198-Y218 HydrophobicContact CD2-CE2 3.75Å; Y198-Y218 HydrophobicContact CG-CD2 4.42Å; Y198-Y218 AromaticContact CG-CE2 3.68Å; Y198-Y218 HydrophobicContact CG-CE2 3.68Å; Y198-Y218 AromaticContact CG-CZ 3.74Å; Y198-Y218 PolarHBondContact N-O 2.7Å; Y198-Y218 PolarHBondContact O-N 2.61Å; Y198-A220 HydrophobicContact CD2-CB 4.47Å; Y198-A220 HydrophobicContact CE2-CB 3.7Å
199T97.5Very high96.5Very high96 Ų9648.2 Ų48.259%0.58926%0.26SS*.  trans-119.36.1178.353.10000111.7H216 K217T199-H216 WeakPolarHBondContact CA-O 3.39Å; T199-K217 HydrophobicContact CG2-CG 4.1Å
200D95.3Very high96.7Very high57 Ų5748.1 Ų48.131%0.30526%0.259SS..  trans-127.4146.6179.365-66.9000108.9R166 Y218R166-D200 IonicContact CZ-OD2 2.92Å; R166-D200 PolarHBondContact NH1-O 3.43Å; R166-D200 IonicContact NH1-OD1 3.76Å; R166-D200 IonicContact NH1-OD2 3.76Å; R166-D200 PolarHBondContact NH1-OD2 3.28Å; R166-D200 IonicContact NH2-OD2 3.7Å; D200-Y218 WeakPolarHBondContact O-CE1 3.42Å; D200-Y218 PolarHBondContact O-OH 3.2Å
201F93.6Very high96.8Very high31 Ų3149 Ų4914%0.13626%0.263CS..  trans-149.4122.1177.1-175.2-107.7000109.1R166 G203 W212 Y218 L223R166-F201 WeakPolarHBondContact O-CE2 3.15Å; F201-G203 WeakPolarHBondContact CE1-O 3.38Å; F201-G203 VanDerWaalsContact CZ-CA 3.49Å; F201-W212 HydrophobicContact CB-CD2 3.72Å; F201-W212 HydrophobicContact CB-CE3 3.92Å; F201-W212 HydrophobicContact CB-CH2 3.52Å; F201-W212 HydrophobicContact CB-CZ2 3.32Å; F201-W212 HydrophobicContact CB-CZ3 3.81Å; F201-W212 HydrophobicContact CD1-CD2 4.49Å; F201-W212 AromaticContact CD1-CE2 3.94Å; F201-W212 HydrophobicContact CD1-CZ2 4.44Å; F201-W212 AromaticContact CD1-NE1 3.59Å; F201-W212 HydrophobicContact CG-CD2 4.17Å; F201-W212 AromaticContact CG-CE2 3.92Å; F201-W212 HydrophobicContact CG-CG 4.49Å; F201-W212 HydrophobicContact CG-CZ2 4.29Å; F201-Y218 HydrophobicContact CB-CE1 4.06Å; F201-Y218 AromaticContact CD2-CE1 3.99Å; F201-Y218 HydrophobicContact CD2-CE1 3.99Å; F201-Y218 HydrophobicContact CG-CE1 4.45Å; F201-L223 HydrophobicContact CD2-CD1 3.94Å; F201-L223 HydrophobicContact CE2-CD1 3.63Å
202E89.9Confident96.9Very high52 Ų5249.8 Ų49.824%0.24326%0.264CS..  trans-11612.4179.3-66.6178.3-14600111.2Q67 Q68 S189Q67-E202 PolarHBondContact OE1-OE1 3.36Å; Q67-E202 PolarHBondContact OE1-OE2 3.38Å; Q68-E202 PolarHBondContact NE2-OE1 3.09Å; S189-E202 WeakPolarHBondContact CB-O 3.26Å; S189-E202 PolarHBondContact OG-O 2.63Å
203G94.1Very high97Very high17 Ų1746.2 Ų46.218%0.17524%0.241CC..SBendtrans-85.7-177.5175.200000112.8F201 R205F201-G203 WeakPolarHBondContact CE1-O 3.38Å; F201-G203 VanDerWaalsContact CZ-CA 3.49Å; G203-R205 PolarHBondContact O-N 2.91Å
204T96.4Very high97Very high33 Ų3347.3 Ų47.320%0.20225%0.247CC..  trans-76.1123.2-177.4-56.50000111D167 K169 V206 Y207 S208D167-T204 VanDerWaalsContact OD1-CB 3.25Å; D167-T204 WeakPolarHBondContact OD1-CB 3.25Å; D167-T204 PolarHBondContact OD1-N 3.25Å; D167-T204 PolarHBondContact OD1-OG1 2.68Å; K169-T204 HydrophobicContact CD-CG2 4.35Å; K169-T204 WeakPolarHBondContact CD-OG1 3.35Å; K169-T204 VanDerWaalsContact CE-OG1 3.28Å; K169-T204 WeakPolarHBondContact CE-OG1 3.47Å; K169-T204 PolarHBondContact NZ-OG1 3.08Å; T204-V206 HydrophobicContact CG2-CG2 3.96Å; T204-V206 PolarHBondContact O-N 3.25Å; T204-Y207 HydrophobicContact CG2-CD2 4Å; T204-Y207 PolarHBondContact O-N 3.4Å; T204-S208 PolarHBondContact O-N 3.36Å
205R97.4Very high97.1Very high118 Ų11850.4 Ų50.445%0.44526%0.257SS..G310 helixtrans-58.2-41.8-170.3-169.4-178.8-172.790.4-1113.8G203 Y207 S208 I213 D245G203-R205 PolarHBondContact O-N 2.91Å; R205-Y207 PolarHBondContact O-N 2.77Å; R205-S208 VanDerWaalsContact O-CB 3.26Å; R205-S208 WeakPolarHBondContact O-CB 3.38Å; R205-S208 PolarHBondContact O-N 2.72Å; R205-S208 PolarHBondContact O-OG 3.31Å; R205-I213 HydrophobicContact CG-CD1 4.27Å; R205-D245 IonicContact CZ-OD1 3.53Å; R205-D245 IonicContact CZ-OD2 2.7Å; R205-D245 IonicContact NE-OD1 2.82Å; R205-D245 PolarHBondContact NE-OD1 2.99Å; R205-D245 IonicContact NE-OD2 3.62Å; R205-D245 PolarHBondContact NE-OD2 2.67Å; R205-D245 IonicContact NH2-OD1 2.86Å; R205-D245 IonicContact NH2-OD2 3.47Å; R205-D245 PolarHBondContact NH2-OD2 3.25Å
206V98.3Very high97.2Very high39 Ų3948.1 Ų48.124%0.23624%0.242CC..G310 helixtrans-69.5-16.8-179.3-63.20000113.5T204 I240T204-V206 HydrophobicContact CG2-CG2 3.96Å; T204-V206 PolarHBondContact O-N 3.25Å; V206-I240 HydrophobicContact CB-CD1 3.82Å; V206-I240 HydrophobicContact CG1-CD1 4.27Å; V206-I240 HydrophobicContact CG2-CD1 3.68Å
207Y98.7Very high97.2Very high10 Ų1049.7 Ų49.74%0.03924%0.239CC..G310 helixtrans-92.7-0.7170.9-78.5-97.3000113I168 K169 D170 T204 R205 W226 V230 L231 I240I168-Y207 WeakPolarHBondContact O-CD1 3.35Å; K169-Y207 HydrophobicContact CB-CD1 3.96Å; K169-Y207 HydrophobicContact CB-CD2 3.9Å; K169-Y207 HydrophobicContact CB-CE1 3.64Å; K169-Y207 HydrophobicContact CB-CE2 3.58Å; K169-Y207 HydrophobicContact CB-CG 4.09Å; K169-Y207 VanDerWaalsContact CB-CZ 3.44Å; D170-Y207 PolarHBondContact OD1-OH 3.1Å; T204-Y207 HydrophobicContact CG2-CD2 4Å; T204-Y207 PolarHBondContact O-N 3.4Å; R205-Y207 PolarHBondContact O-N 2.77Å; Y207-W226 VanDerWaalsContact O-CD1 3.29Å; Y207-V230 HydrophobicContact CD1-CB 3.71Å; Y207-V230 HydrophobicContact CD1-CG1 3.39Å; Y207-V230 HydrophobicContact CD2-CG1 4.38Å; Y207-V230 HydrophobicContact CE1-CB 3.88Å; Y207-V230 HydrophobicContact CE1-CG1 3.33Å; Y207-V230 HydrophobicContact CE2-CG1 4.34Å; Y207-V230 HydrophobicContact CG-CG1 3.94Å; Y207-L231 HydrophobicContact CE1-CB 4.36Å; Y207-I240 HydrophobicContact CE2-CG2 4.08Å
208S98.3Very high97.3Very high0 Ų045.3 Ų45.30%022%0.217CC..SBendtrans-83.9148.2-177.775.80000112.4T204 R205 I213 W226 I248T204-S208 PolarHBondContact O-N 3.36Å; R205-S208 VanDerWaalsContact O-CB 3.26Å; R205-S208 WeakPolarHBondContact O-CB 3.38Å; R205-S208 PolarHBondContact O-N 2.72Å; R205-S208 PolarHBondContact O-OG 3.31Å; S208-I213 WeakPolarHBondContact OG-CD1 3.23Å; S208-W226 PolarHBondContact O-NE1 2.9Å; S208-W226 VanDerWaalsContact O-NE1 3.08Å; S208-I248 WeakPolarHBondContact O-CG2 3.37Å
209P98.7Very high97.3Very high0 Ų048.6 Ų48.60%023%0.233CC..  trans-82.8162.9-17436.2-39.5000113.1E211 W212 I213 L223 W226P209-E211 VanDerWaalsContact C-N 3.29Å; P209-E211 WeakPolarHBondContact CB-OE1 3.35Å; P209-E211 WeakPolarHBondContact CB-OE2 3.46Å; P209-E211 HydrophobicContact CG-CG 4.24Å; P209-E211 WeakPolarHBondContact CG-OE1 3.36Å; P209-E211 PolarHBondContact O-N 3.3Å; P209-W212 HydrophobicContact CG-CB 4.2Å; P209-W212 WeakPolarHBondContact O-CB 3.25Å; P209-W212 PolarHBondContact O-N 3.03Å; P209-I213 PolarHBondContact O-N 2.84Å; P209-L223 HydrophobicContact CG-CB 4.26Å; P209-L223 HydrophobicContact CG-CD1 4.05Å; P209-L223 HydrophobicContact CG-CG 4.18Å; P209-W226 HydrophobicContact CB-CB 3.91Å; P209-W226 HydrophobicContact CB-CD2 3.9Å; P209-W226 HydrophobicContact CB-CE3 4.45Å; P209-W226 HydrophobicContact CB-CG 3.61Å
210P98.8Very high97.3Very high0 Ų044.1 Ų44.10%021%0.206CC..Hα-helixtrans-56.5-38.2-176.4-26.135.3000114W212 I213 L214 W226 I248 A251 F273P210-W212 VanDerWaalsContact C-N 3.26Å; P210-W212 PolarHBondContact O-N 3.36Å; P210-I213 PolarHBondContact O-N 2.86Å; P210-I213 VanDerWaalsContact O-N 3.17Å; P210-L214 WeakPolarHBondContact O-CB 3.38Å; P210-L214 WeakPolarHBondContact O-CG 3.49Å; P210-L214 PolarHBondContact O-N 3.46Å; P210-W226 VanDerWaalsContact CD-CH2 3.44Å; P210-W226 HydrophobicContact CG-CE3 4.28Å; P210-W226 HydrophobicContact CG-CH2 3.42Å; P210-W226 VanDerWaalsContact CG-CH2 3.42Å; P210-W226 HydrophobicContact CG-CZ2 4.02Å; P210-W226 HydrophobicContact CG-CZ3 3.56Å; P210-I248 HydrophobicContact CG-CG2 4.31Å; P210-I248 WeakPolarHBondContact CG-O 3.45Å; P210-A251 HydrophobicContact CG-CB 4.41Å; P210-F273 HydrophobicContact CB-CD2 3.86Å; P210-F273 HydrophobicContact CB-CE2 3.79Å; P210-F273 HydrophobicContact CG-CD2 4.12Å
211E98.8Very high97.5Very high19 Ų1945.8 Ų45.89%0.08921%0.214CC..Hα-helixtrans-64.3-29.2178.563.7-85.9-159.800113.2P209 Y215 K217 P275 R278P209-E211 VanDerWaalsContact C-N 3.29Å; P209-E211 WeakPolarHBondContact CB-OE1 3.35Å; P209-E211 WeakPolarHBondContact CB-OE2 3.46Å; P209-E211 HydrophobicContact CG-CG 4.24Å; P209-E211 WeakPolarHBondContact CG-OE1 3.36Å; P209-E211 PolarHBondContact O-N 3.3Å; E211-Y215 HydrophobicContact CB-CD2 4.3Å; E211-Y215 WeakPolarHBondContact O-CA 3.41Å; E211-Y215 WeakPolarHBondContact O-CB 3.47Å; E211-Y215 PolarHBondContact O-N 3.41Å; E211-K217 CarbonylContact C-O 3.59Å; E211-K217 WeakPolarHBondContact CG-O 3.45Å; E211-P275 HydrophobicContact CB-CG 4.41Å; E211-P275 VanDerWaalsContact CD-CG 3.49Å; E211-P275 HydrophobicContact CG-CG 4.07Å; E211-P275 WeakPolarHBondContact OE1-CG 3.35Å; E211-R278 IonicContact OE1-CZ 3.84Å; E211-R278 IonicContact OE1-NH1 2.93Å; E211-R278 PolarHBondContact OE1-NH1 2.97Å; E211-R278 IonicContact OE1-NH2 2.74Å; E211-R278 PolarHBondContact OE1-NH2 3.43Å; E211-R278 IonicContact OE2-CZ 3.5Å; E211-R278 IonicContact OE2-NH1 2.81Å; E211-R278 IonicContact OE2-NH2 2.83Å; E211-R278 PolarHBondContact OE2-NH2 3.13Å
212W98.7Very high97.7Very high26 Ų2645.5 Ų45.510%0.09822%0.216CC..Hα-helixtrans-71.5-45.3171.8171-106.7000110.8F201 P209 P210 L214 H216 Y218F201-W212 HydrophobicContact CB-CD2 3.72Å; F201-W212 HydrophobicContact CB-CE3 3.92Å; F201-W212 HydrophobicContact CB-CH2 3.52Å; F201-W212 HydrophobicContact CB-CZ2 3.32Å; F201-W212 HydrophobicContact CB-CZ3 3.81Å; F201-W212 HydrophobicContact CD1-CD2 4.49Å; F201-W212 AromaticContact CD1-CE2 3.94Å; F201-W212 HydrophobicContact CD1-CZ2 4.44Å; F201-W212 AromaticContact CD1-NE1 3.59Å; F201-W212 HydrophobicContact CG-CD2 4.17Å; F201-W212 AromaticContact CG-CE2 3.92Å; F201-W212 HydrophobicContact CG-CG 4.49Å; F201-W212 HydrophobicContact CG-CZ2 4.29Å; P209-W212 HydrophobicContact CG-CB 4.2Å; P209-W212 WeakPolarHBondContact O-CB 3.25Å; P209-W212 PolarHBondContact O-N 3.03Å; P210-W212 VanDerWaalsContact C-N 3.26Å; P210-W212 PolarHBondContact O-N 3.36Å; W212-L214 VanDerWaalsContact C-N 3.32Å; W212-L214 PolarHBondContact O-N 2.84Å; W212-H216 VanDerWaalsContact CE3-CA 3.47Å; W212-H216 HydrophobicContact CE3-CB 4.24Å; W212-H216 HydrophobicContact CH2-CB 4.19Å; W212-H216 AromaticContact CZ2-ND1 3.84Å; W212-H216 VanDerWaalsContact CZ3-C 3.43Å; W212-H216 HydrophobicContact CZ3-CB 3.89Å; W212-H216 VanDerWaalsContact CZ3-O 3.32Å; W212-H216 WeakPolarHBondContact CZ3-O 3.29Å; W212-H216 VanDerWaalsContact O-CA 3.26Å; W212-H216 WeakPolarHBondContact O-CA 3.25Å; W212-H216 PolarHBondContact O-N 3.45Å; W212-H216 PolarHBondContact O-ND1 2.85Å; W212-Y218 HydrophobicContact CB-CD1 4.5Å; W212-Y218 HydrophobicContact CD2-CD1 4.42Å; W212-Y218 AromaticContact CE3-CD1 3.74Å; W212-Y218 HydrophobicContact CE3-CD1 3.74Å; W212-Y218 AromaticContact CE3-CE1 3.91Å; W212-Y218 HydrophobicContact CE3-CE1 3.91Å; W212-Y218 HydrophobicContact CZ3-CD1 4.44Å; W212-Y218 HydrophobicContact CZ3-CE1 4.26Å
213I98.5Very high98.1Very high21 Ų2143.2 Ų43.211%0.10821%0.205CC..Hα-helixtrans-60.9-41.7178.7-57.8-57.3000111.4R205 S208 P209 P210 D245 I248 V249R205-I213 HydrophobicContact CG-CD1 4.27Å; S208-I213 WeakPolarHBondContact OG-CD1 3.23Å; P209-I213 PolarHBondContact O-N 2.84Å; P210-I213 PolarHBondContact O-N 2.86Å; P210-I213 VanDerWaalsContact O-N 3.17Å; I213-D245 HydrophobicContact CG2-CB 3.81Å; I213-I248 HydrophobicContact CD1-CD1 4.34Å; I213-I248 HydrophobicContact CG1-CB 4.43Å; I213-I248 HydrophobicContact CG1-CD1 4.41Å; I213-I248 HydrophobicContact CG1-CG2 3.81Å; I213-V249 HydrophobicContact CB-CG2 4.09Å; I213-V249 HydrophobicContact CG2-CG2 3.67Å
214L98.4Very high98.4Very high68 Ų6842.6 Ų42.636%0.35620%0.198SC..Hα-helixtrans-83.4-39.7-175-69172.1000113.8P210 W212 V249 F273P210-L214 WeakPolarHBondContact O-CB 3.38Å; P210-L214 WeakPolarHBondContact O-CG 3.49Å; P210-L214 PolarHBondContact O-N 3.46Å; W212-L214 VanDerWaalsContact C-N 3.32Å; W212-L214 PolarHBondContact O-N 2.84Å; L214-V249 HydrophobicContact CD1-CG1 4.27Å; L214-V249 HydrophobicContact CD2-CG1 4.04Å; L214-V249 HydrophobicContact CD2-CG2 3.96Å; L214-V249 HydrophobicContact CG-CG1 4.4Å; L214-V249 HydrophobicContact CG-CG2 4Å; L214-F273 HydrophobicContact CD1-CE2 3.98Å; L214-F273 HydrophobicContact CD1-CZ 3.7Å
215Y98.3Very high98.5Very high149 Ų14941.2 Ų41.258%0.58419%0.19SC*.Hα-helixtrans-126.7-2.1-164.7-49.6-58.8000113.9E211 K217E211-Y215 HydrophobicContact CB-CD2 4.3Å; E211-Y215 WeakPolarHBondContact O-CA 3.41Å; E211-Y215 WeakPolarHBondContact O-CB 3.47Å; E211-Y215 PolarHBondContact O-N 3.41Å; Y215-K217 WeakPolarHBondContact O-CG 3.28Å; Y215-K217 PolarHBondContact O-N 2.72Å
216H98.3Very high98.6Very high103 Ų10335.6 Ų35.648%0.47717%0.168SC..SBendtrans50.735.9-173.4-61-62.1000112.8T199 W212T199-H216 WeakPolarHBondContact CA-O 3.39Å; W212-H216 VanDerWaalsContact CE3-CA 3.47Å; W212-H216 HydrophobicContact CE3-CB 4.24Å; W212-H216 HydrophobicContact CH2-CB 4.19Å; W212-H216 AromaticContact CZ2-ND1 3.84Å; W212-H216 VanDerWaalsContact CZ3-C 3.43Å; W212-H216 HydrophobicContact CZ3-CB 3.89Å; W212-H216 VanDerWaalsContact CZ3-O 3.32Å; W212-H216 WeakPolarHBondContact CZ3-O 3.29Å; W212-H216 VanDerWaalsContact O-CA 3.26Å; W212-H216 WeakPolarHBondContact O-CA 3.25Å; W212-H216 PolarHBondContact O-N 3.45Å; W212-H216 PolarHBondContact O-ND1 2.85Å
217K98.3Very high98.6Very high105 Ų10534 Ų3446%0.45716%0.158SC..  trans-143.3139.8-178.6-71178.4-173.8178.90110.9M197 Y198 T199 E211 Y215M197-K217 HydrophobicContact SD-CB 4.18Å; M197-K217 HydrophobicContact SD-CD 4.13Å; Y198-K217 VanDerWaalsContact O-CA 3.31Å; Y198-K217 WeakPolarHBondContact O-CA 3.36Å; T199-K217 HydrophobicContact CG2-CG 4.1Å; E211-K217 CarbonylContact C-O 3.59Å; E211-K217 WeakPolarHBondContact CG-O 3.45Å; Y215-K217 WeakPolarHBondContact O-CG 3.28Å; Y215-K217 PolarHBondContact O-N 2.72Å
218Y98.7Very high98.6Very high3 Ų333.6 Ų33.61%0.01216%0.157CC..BIsolated β-bridgetrans-152.916317562.4-85.4000111.6R166 M197 Y198 D200 F201 W212 L223R166-Y218 VanDerWaalsContact CD-OH 3.24Å; R166-Y218 WeakPolarHBondContact CD-OH 3.18Å; R166-Y218 PolarHBondContact NH1-OH 3.31Å; R166-Y218 VanDerWaalsContact NH1-OH 3.13Å; M197-Y218 WeakPolarHBondContact CA-O 3.47Å; Y198-Y218 WeakPolarHBondContact CB-OH 3.5Å; Y198-Y218 HydrophobicContact CD1-CE2 4.47Å; Y198-Y218 HydrophobicContact CD2-CD2 4.2Å; Y198-Y218 AromaticContact CD2-CE2 3.75Å; Y198-Y218 HydrophobicContact CD2-CE2 3.75Å; Y198-Y218 HydrophobicContact CG-CD2 4.42Å; Y198-Y218 AromaticContact CG-CE2 3.68Å; Y198-Y218 HydrophobicContact CG-CE2 3.68Å; Y198-Y218 AromaticContact CG-CZ 3.74Å; Y198-Y218 PolarHBondContact N-O 2.7Å; Y198-Y218 PolarHBondContact O-N 2.61Å; D200-Y218 WeakPolarHBondContact O-CE1 3.42Å; D200-Y218 PolarHBondContact O-OH 3.2Å; F201-Y218 HydrophobicContact CB-CE1 4.06Å; F201-Y218 AromaticContact CD2-CE1 3.99Å; F201-Y218 HydrophobicContact CD2-CE1 3.99Å; F201-Y218 HydrophobicContact CG-CE1 4.45Å; W212-Y218 HydrophobicContact CB-CD1 4.5Å; W212-Y218 HydrophobicContact CD2-CD1 4.42Å; W212-Y218 AromaticContact CE3-CD1 3.74Å; W212-Y218 HydrophobicContact CE3-CD1 3.74Å; W212-Y218 AromaticContact CE3-CE1 3.91Å; W212-Y218 HydrophobicContact CE3-CE1 3.91Å; W212-Y218 HydrophobicContact CZ3-CD1 4.44Å; W212-Y218 HydrophobicContact CZ3-CE1 4.26Å; Y218-L223 HydrophobicContact CD1-CD1 4.06Å; Y218-L223 HydrophobicContact CD2-CB 3.79Å; Y218-L223 HydrophobicContact CD2-CD1 3.34Å; Y218-L223 HydrophobicContact CD2-CG 4.13Å; Y218-L223 HydrophobicContact CE1-CD1 4.22Å; Y218-L223 HydrophobicContact CE2-CB 4.44Å; Y218-L223 HydrophobicContact CE2-CD1 3.53Å; Y218-L223 HydrophobicContact CE2-CG 4.43Å; Y218-L223 HydrophobicContact CG-CB 4.41Å; Y218-L223 HydrophobicContact CG-CD1 3.64Å
219H98.6Very high98.6Very high73 Ų7333.6 Ų33.634%0.33816%0.157SC..  trans-100.3143.6162.2-70.9-85000109.4D195 M197 L221 P222 L223D195-H219 PolarHBondContact O-CE1 3.44Å; D195-H219 PolarHBondContact O-ND1 3.19Å; M197-H219 VanDerWaalsContact CE-NE2 3.31Å; M197-H219 WeakPolarHBondContact CE-NE2 3.48Å; M197-H219 WeakPolarHBondContact CG-NE2 3.46Å; H219-L221 PolarHBondContact O-N 3.43Å; H219-P222 HydrophobicContact CB-CG 4.24Å; H219-P222 WeakPolarHBondContact O-CD 3.24Å; H219-L223 WeakPolarHBondContact O-CB 3.36Å; H219-L223 PolarHBondContact O-N 3.05Å
220A98.2Very high98.7Very high3 Ų333.6 Ų33.63%0.02516%0.157CC..Hα-helixtrans-58.3-44.4-17400000113.8V164 L193 Y198 L223 T224V164-A220 HydrophobicContact CB-CB 4.14Å; V164-A220 HydrophobicContact CG1-CB 4.25Å; V164-A220 HydrophobicContact CG2-CB 3.85Å; L193-A220 HydrophobicContact CD1-CB 3.5Å; Y198-A220 HydrophobicContact CD2-CB 4.47Å; Y198-A220 HydrophobicContact CE2-CB 3.7Å; A220-L223 PolarHBondContact O-N 3.34Å; A220-T224 WeakPolarHBondContact O-CB 3.35Å; A220-T224 PolarHBondContact O-N 3.45Å; A220-T224 PolarHBondContact O-OG1 2.88Å
221L98.5Very high98.7Very high91 Ų9133.6 Ų33.648%0.47616%0.157SC..Hα-helixtrans-66.1-54.1-175-70.8164.9000111.9H159 H219 L223 T224 V225H159-L221 WeakPolarHBondContact ND1-CD2 3.28Å; H219-L221 PolarHBondContact O-N 3.43Å; L221-L223 VanDerWaalsContact C-N 3.29Å; L221-L223 PolarHBondContact O-N 2.96Å; L221-T224 WeakPolarHBondContact O-CB 3.31Å; L221-T224 PolarHBondContact O-N 3.38Å; L221-T224 VanDerWaalsContact O-N 3.16Å; L221-V225 WeakPolarHBondContact O-CG2 3.4Å; L221-V225 PolarHBondContact O-N 3.37Å; L221-V225 VanDerWaalsContact O-N 3.1Å
222P98.8Very high98.7Very high26 Ų2632.8 Ų32.817%0.16915%0.154CC..Hα-helixtrans-62-31.5174.6-2534.4000114.6H219 V225 W226 P275 R278H219-P222 HydrophobicContact CB-CG 4.24Å; H219-P222 WeakPolarHBondContact O-CD 3.24Å; P222-V225 PolarHBondContact O-N 3.47Å; P222-W226 PolarHBondContact O-N 2.67Å; P222-P275 HydrophobicContact CB-CB 3.66Å; P222-P275 HydrophobicContact CG-CB 4Å; P222-R278 WeakPolarHBondContact O-CD 3.4Å; P222-R278 PolarHBondContact O-NH1 3.37Å
223L98.6Very high98.7Very high3 Ų332.1 Ų32.12%0.01615%0.151CC..Hα-helixtrans-62.5-45.7173.6175.3143.2000110.9F201 P209 Y218 H219 A220 L221 V225 W226 S227F201-L223 HydrophobicContact CD2-CD1 3.94Å; F201-L223 HydrophobicContact CE2-CD1 3.63Å; P209-L223 HydrophobicContact CG-CB 4.26Å; P209-L223 HydrophobicContact CG-CD1 4.05Å; P209-L223 HydrophobicContact CG-CG 4.18Å; Y218-L223 HydrophobicContact CD1-CD1 4.06Å; Y218-L223 HydrophobicContact CD2-CB 3.79Å; Y218-L223 HydrophobicContact CD2-CD1 3.34Å; Y218-L223 HydrophobicContact CD2-CG 4.13Å; Y218-L223 HydrophobicContact CE1-CD1 4.22Å; Y218-L223 HydrophobicContact CE2-CB 4.44Å; Y218-L223 HydrophobicContact CE2-CD1 3.53Å; Y218-L223 HydrophobicContact CE2-CG 4.43Å; Y218-L223 HydrophobicContact CG-CB 4.41Å; Y218-L223 HydrophobicContact CG-CD1 3.64Å; H219-L223 WeakPolarHBondContact O-CB 3.36Å; H219-L223 PolarHBondContact O-N 3.05Å; A220-L223 PolarHBondContact O-N 3.34Å; L221-L223 VanDerWaalsContact C-N 3.29Å; L221-L223 PolarHBondContact O-N 2.96Å; L223-V225 VanDerWaalsContact C-N 3.3Å; L223-V225 PolarHBondContact O-N 2.89Å; L223-W226 WeakPolarHBondContact O-CB 3.49Å; L223-W226 PolarHBondContact O-N 2.83Å; L223-S227 PolarHBondContact O-N 3.13Å
224T98.8Very high98.7Very high4 Ų431.4 Ų31.43%0.02515%0.147CC..Hα-helixtrans-63.1-39.6-179.9-57.10000111.3V155 A220 L221 S227 L228V155-T224 HydrophobicContact CG1-CG2 3.53Å; A220-T224 WeakPolarHBondContact O-CB 3.35Å; A220-T224 PolarHBondContact O-N 3.45Å; A220-T224 PolarHBondContact O-OG1 2.88Å; L221-T224 WeakPolarHBondContact O-CB 3.31Å; L221-T224 PolarHBondContact O-N 3.38Å; L221-T224 VanDerWaalsContact O-N 3.16Å; T224-S227 PolarHBondContact O-N 3.17Å; T224-S227 PolarHBondContact O-OG 2.97Å; T224-L228 HydrophobicContact CG2-CD1 4.34Å; T224-L228 WeakPolarHBondContact O-CB 3.31Å; T224-L228 VanDerWaalsContact O-CG 3.25Å; T224-L228 WeakPolarHBondContact O-CG 3.38Å; T224-L228 PolarHBondContact O-N 3.35Å
225V98.9Very high98.7Very high5 Ų528.2 Ų28.23%0.0313%0.131CC..Hα-helixtrans-65.8-40.5176.21740000111.5L221 P222 L223 L228 G229 C270 R278 P279 L281 I284L221-V225 WeakPolarHBondContact O-CG2 3.4Å; L221-V225 PolarHBondContact O-N 3.37Å; L221-V225 VanDerWaalsContact O-N 3.1Å; P222-V225 PolarHBondContact O-N 3.47Å; L223-V225 VanDerWaalsContact C-N 3.3Å; L223-V225 PolarHBondContact O-N 2.89Å; V225-L228 PolarHBondContact O-N 3.45Å; V225-G229 PolarHBondContact O-N 3.41Å; V225-C270 HydrophobicContact CG1-CB 4.04Å; V225-R278 HydrophobicContact CB-CB 4.36Å; V225-R278 HydrophobicContact CG1-CB 3.8Å; V225-P279 HydrophobicContact CG1-CG 4.19Å; V225-P279 WeakPolarHBondContact CG2-O 3.38Å; V225-L281 HydrophobicContact CG2-CD2 4.2Å; V225-I284 HydrophobicContact CG1-CD1 4.07Å; V225-I284 HydrophobicContact CG2-CD1 4.35Å
226W98.9Very high98.7Very high0 Ų021.3 Ų21.30%010%0.104CC..Hα-helixtrans-60.3-50.3174.5176.7-84.1000111.5Y207 S208 P209 P210 P222 L223 L228 G229 V230 F242 I248 A251 L271Y207-W226 VanDerWaalsContact O-CD1 3.29Å; S208-W226 PolarHBondContact O-NE1 2.9Å; S208-W226 VanDerWaalsContact O-NE1 3.08Å; P209-W226 HydrophobicContact CB-CB 3.91Å; P209-W226 HydrophobicContact CB-CD2 3.9Å; P209-W226 HydrophobicContact CB-CE3 4.45Å; P209-W226 HydrophobicContact CB-CG 3.61Å; P210-W226 VanDerWaalsContact CD-CH2 3.44Å; P210-W226 HydrophobicContact CG-CE3 4.28Å; P210-W226 HydrophobicContact CG-CH2 3.42Å; P210-W226 VanDerWaalsContact CG-CH2 3.42Å; P210-W226 HydrophobicContact CG-CZ2 4.02Å; P210-W226 HydrophobicContact CG-CZ3 3.56Å; P222-W226 PolarHBondContact O-N 2.67Å; L223-W226 WeakPolarHBondContact O-CB 3.49Å; L223-W226 PolarHBondContact O-N 2.83Å; W226-L228 VanDerWaalsContact C-N 3.28Å; W226-L228 PolarHBondContact O-N 2.97Å; W226-G229 WeakPolarHBondContact O-CA 3.4Å; W226-G229 PolarHBondContact O-N 3.22Å; W226-V230 PolarHBondContact O-N 2.91Å; W226-F242 AromaticContact CH2-CE2 3.87Å; W226-F242 HydrophobicContact CH2-CE2 3.87Å; W226-F242 AromaticContact CZ2-CD2 3.95Å; W226-F242 HydrophobicContact CZ2-CD2 3.95Å; W226-F242 AromaticContact CZ2-CE2 3.6Å; W226-F242 HydrophobicContact CZ2-CE2 3.6Å; W226-I248 HydrophobicContact CZ2-CG2 3.91Å; W226-A251 HydrophobicContact CH2-CB 3.86Å; W226-A251 HydrophobicContact CZ3-CB 4.09Å; W226-L271 HydrophobicContact CD2-CD2 3.78Å; W226-L271 HydrophobicContact CE3-CB 4.43Å; W226-L271 HydrophobicContact CE3-CD2 3.95Å; W226-L271 HydrophobicContact CG-CD2 4.26Å; W226-L271 HydrophobicContact CH2-CB 4.49Å; W226-L271 HydrophobicContact CH2-CD2 4.31Å; W226-L271 HydrophobicContact CZ2-CD2 4.14Å; W226-L271 HydrophobicContact CZ3-CB 4.15Å; W226-L271 HydrophobicContact CZ3-CD2 4.23Å; W226-L271 VanDerWaalsContact CZ3-O 3.31Å; W226-L271 WeakPolarHBondContact CZ3-O 3.33Å; W226-L271 WeakPolarHBondContact O-CD2 3.34Å
227S98.9Very high98.7Very high4 Ų416.7 Ų16.73%0.0288%0.083CC..Hα-helixtrans-63.8-33.8-179.666.30000112.2L223 T224 G229 V230 L231L223-S227 PolarHBondContact O-N 3.13Å; T224-S227 PolarHBondContact O-N 3.17Å; T224-S227 PolarHBondContact O-OG 2.97Å; S227-G229 VanDerWaalsContact C-N 3.34Å; S227-V230 PolarHBondContact O-N 3.15Å; S227-L231 WeakPolarHBondContact O-CB 3.39Å; S227-L231 PolarHBondContact O-N 2.97Å
228L98.9Very high98.7Very high3 Ų313 Ų132%0.0168%0.076CC..Hα-helixtrans-64.3-35.6170.1-73.5171.3000112.9L148 V151 I152 I168 T224 V225 W226 L231 L232 L281 I284L148-L228 HydrophobicContact CD1-CD2 4.05Å; V151-L228 HydrophobicContact CG1-CD2 3.71Å; I152-L228 HydrophobicContact CG1-CD1 4.01Å; I152-L228 HydrophobicContact CG1-CD2 4.35Å; I168-L228 HydrophobicContact CG2-CD2 4.19Å; T224-L228 HydrophobicContact CG2-CD1 4.34Å; T224-L228 WeakPolarHBondContact O-CB 3.31Å; T224-L228 VanDerWaalsContact O-CG 3.25Å; T224-L228 WeakPolarHBondContact O-CG 3.38Å; T224-L228 PolarHBondContact O-N 3.35Å; V225-L228 PolarHBondContact O-N 3.45Å; W226-L228 VanDerWaalsContact C-N 3.28Å; W226-L228 PolarHBondContact O-N 2.97Å; L228-L231 HydrophobicContact CD2-CD2 4.49Å; L228-L232 WeakPolarHBondContact O-CB 3.1Å; L228-L232 PolarHBondContact O-N 3.34Å; L228-L281 HydrophobicContact CD1-CD2 3.54Å; L228-I284 HydrophobicContact CD1-CD1 4.46Å
229G98.9Very high98.6Very high0 Ų017.2 Ų17.20%010%0.098CC..Hα-helixtrans-66.1-41.3173.800000112.7V225 W226 S227 Y233V225-G229 PolarHBondContact O-N 3.41Å; W226-G229 WeakPolarHBondContact O-CA 3.4Å; W226-G229 PolarHBondContact O-N 3.22Å; S227-G229 VanDerWaalsContact C-N 3.34Å; G229-Y233 WeakPolarHBondContact O-CB 3.4Å; G229-Y233 PolarHBondContact O-N 3Å
230V98.9Very high98.6Very high0 Ų015.3 Ų15.30%09%0.09CC..Hα-helixtrans-62.1-49.4173.4177.40000110Y207 W226 S227 L232 Y233 D234 I240 P241 L271Y207-V230 HydrophobicContact CD1-CB 3.71Å; Y207-V230 HydrophobicContact CD1-CG1 3.39Å; Y207-V230 HydrophobicContact CD2-CG1 4.38Å; Y207-V230 HydrophobicContact CE1-CB 3.88Å; Y207-V230 HydrophobicContact CE1-CG1 3.33Å; Y207-V230 HydrophobicContact CE2-CG1 4.34Å; Y207-V230 HydrophobicContact CG-CG1 3.94Å; W226-V230 PolarHBondContact O-N 2.91Å; S227-V230 PolarHBondContact O-N 3.15Å; V230-L232 PolarHBondContact O-N 3.4Å; V230-Y233 WeakPolarHBondContact O-CB 3.09Å; V230-Y233 PolarHBondContact O-N 3.37Å; V230-D234 WeakPolarHBondContact O-CB 3.47Å; V230-D234 PolarHBondContact O-N 2.7Å; V230-I240 HydrophobicContact CG1-CB 4.47Å; V230-I240 HydrophobicContact CG1-CG2 4.18Å; V230-P241 HydrophobicContact CG1-CG 4.38Å; V230-P241 HydrophobicContact CG2-CG 4.42Å; V230-L271 HydrophobicContact CG2-CD2 3.8Å
231L98.9Very high98.6Very high0 Ų016.1 Ų16.10%010%0.095CC..Hα-helixtrans-60.5-42.5178.4178.364.9000112.9L129 V151 I168 D170 I173 Y207 S227 L228 D234 M235L129-L231 HydrophobicContact CD2-CD1 4.01Å; V151-L231 HydrophobicContact CG1-CD2 4.2Å; V151-L231 HydrophobicContact CG2-CD2 4.49Å; I168-L231 HydrophobicContact CG2-CD2 3.98Å; D170-L231 HydrophobicContact CB-CD1 4.04Å; I173-L231 HydrophobicContact CD1-CD1 4.02Å; I173-L231 HydrophobicContact CD1-CD2 3.43Å; I173-L231 VanDerWaalsContact CD1-CD2 3.43Å; I173-L231 HydrophobicContact CD1-CG 4.36Å; Y207-L231 HydrophobicContact CE1-CB 4.36Å; S227-L231 WeakPolarHBondContact O-CB 3.39Å; S227-L231 PolarHBondContact O-N 2.97Å; L228-L231 HydrophobicContact CD2-CD2 4.49Å; L231-D234 PolarHBondContact O-N 3Å; L231-M235 HydrophobicContact CG-CE 4.23Å; L231-M235 WeakPolarHBondContact O-CG 3.19Å; L231-M235 PolarHBondContact O-N 2.76Å
232L98.9Very high98.6Very high2 Ų212 Ų121%0.017%0.073CC..Hα-helixtrans-64.5-43.4176.817558.1000111.3A144 L148 L228 V230 D234 M235 V236 L266 I267 W289A144-L232 HydrophobicContact CB-CD1 4.43Å; L148-L232 HydrophobicContact CD1-CB 4.37Å; L148-L232 HydrophobicContact CD2-CB 4.34Å; L148-L232 HydrophobicContact CD2-CD1 4.18Å; L148-L232 HydrophobicContact CD2-CD2 3.9Å; L148-L232 HydrophobicContact CD2-CG 4.34Å; L228-L232 WeakPolarHBondContact O-CB 3.1Å; L228-L232 PolarHBondContact O-N 3.34Å; V230-L232 PolarHBondContact O-N 3.4Å; L232-D234 VanDerWaalsContact C-N 3.32Å; L232-M235 HydrophobicContact CB-CE 4.4Å; L232-M235 HydrophobicContact CD1-CE 4.08Å; L232-M235 PolarHBondContact O-N 3.32Å; L232-V236 HydrophobicContact CD1-CG1 4.09Å; L232-V236 WeakPolarHBondContact O-CG2 3.32Å; L232-V236 PolarHBondContact O-N 2.94Å; L232-L266 HydrophobicContact CD2-CB 4.48Å; L232-L266 HydrophobicContact CD2-CD2 3.81Å; L232-L266 HydrophobicContact CD2-CG 4.02Å; L232-I267 HydrophobicContact CB-CG1 4.25Å; L232-I267 HydrophobicContact CD2-CD1 4.31Å; L232-I267 HydrophobicContact CD2-CG1 3.53Å; L232-I267 HydrophobicContact CG-CD1 4.03Å; L232-I267 HydrophobicContact CG-CG1 3.64Å; L232-W289 HydrophobicContact CD1-CH2 3.39Å; L232-W289 HydrophobicContact CD1-CZ2 4.15Å; L232-W289 HydrophobicContact CD1-CZ3 3.78Å; L232-W289 HydrophobicContact CD2-CE3 4.47Å; L232-W289 HydrophobicContact CD2-CH2 4.43Å; L232-W289 HydrophobicContact CD2-CZ3 4.08Å
233Y98.9Very high98.5Very high12 Ų1217.1 Ų17.15%0.04710%0.095CC..Hα-helixtrans-58.8-48174.7-178.9-78.2000110.8G229 V230 M235 V236 C237 D239 P241 P253 S254 F255 I267G229-Y233 WeakPolarHBondContact O-CB 3.4Å; G229-Y233 PolarHBondContact O-N 3Å; V230-Y233 WeakPolarHBondContact O-CB 3.09Å; V230-Y233 PolarHBondContact O-N 3.37Å; Y233-M235 PolarHBondContact O-N 2.84Å; Y233-V236 PolarHBondContact O-N 3.48Å; Y233-C237 HydrophobicContact CD1-CB 3.87Å; Y233-C237 HydrophobicContact CE1-CB 3.53Å; Y233-C237 HydrophobicContact CE2-CB 4.45Å; Y233-C237 VanDerWaalsContact CE2-SG 3.58Å; Y233-C237 HydrophobicContact CG-CB 4.46Å; Y233-C237 VanDerWaalsContact CZ-SG 3.54Å; Y233-C237 WeakPolarHBondContact O-CB 3.25Å; Y233-C237 PolarHBondContact O-N 3.22Å; Y233-D239 WeakPolarHBondContact CD1-O 3.49Å; Y233-D239 WeakPolarHBondContact CE1-O 3.42Å; Y233-P241 HydrophobicContact CD1-CB 3.64Å; Y233-P241 VanDerWaalsContact CD1-CD 3.43Å; Y233-P241 HydrophobicContact CD1-CG 3.92Å; Y233-P241 HydrophobicContact CD2-CB 3.91Å; Y233-P241 VanDerWaalsContact CE1-CA 3.45Å; Y233-P241 HydrophobicContact CE1-CB 3.73Å; Y233-P241 HydrophobicContact CE1-CG 4.46Å; Y233-P241 HydrophobicContact CE2-CB 4Å; Y233-P241 HydrophobicContact CG-CB 3.73Å; Y233-P241 HydrophobicContact CG-CG 3.95Å; Y233-P253 HydrophobicContact CD2-CB 4.04Å; Y233-P253 HydrophobicContact CE2-CB 3.92Å; Y233-S254 PolarHBondContact OH-O 3.37Å; Y233-F255 AromaticContact CD2-CD1 3.99Å; Y233-F255 HydrophobicContact CD2-CD1 3.99Å; Y233-F255 AromaticContact CD2-CE1 3.59Å; Y233-F255 HydrophobicContact CD2-CE1 3.59Å; Y233-F255 HydrophobicContact CD2-CZ 4.19Å; Y233-F255 AromaticContact CE2-CD1 3.67Å; Y233-F255 HydrophobicContact CE2-CD1 3.67Å; Y233-F255 AromaticContact CE2-CE1 3.71Å; Y233-F255 HydrophobicContact CE2-CE1 3.71Å; Y233-F255 HydrophobicContact CE2-CG 4.23Å; Y233-F255 HydrophobicContact CE2-CZ 4.3Å; Y233-I267 HydrophobicContact CD2-CG2 4.12Å
234D98.7Very high98.4Very high5 Ų522.5 Ų22.53%0.02712%0.12CC..Hα-helixtrans-55.6-49.3178.5177.248.9000111.9I133 D170 V230 L231 L232 V236 C237 G238 D239 I240I133-D234 WeakPolarHBondContact CD1-OD2 3.46Å; D170-D234 WeakPolarHBondContact CB-OD2 3.22Å; V230-D234 WeakPolarHBondContact O-CB 3.47Å; V230-D234 PolarHBondContact O-N 2.7Å; L231-D234 PolarHBondContact O-N 3Å; L232-D234 VanDerWaalsContact C-N 3.32Å; D234-V236 PolarHBondContact O-N 3.04Å; D234-C237 PolarHBondContact O-N 3.5Å; D234-G238 VanDerWaalsContact O-CA 3.22Å; D234-G238 WeakPolarHBondContact O-CA 3.36Å; D234-G238 PolarHBondContact O-N 3.1Å; D234-D239 WeakPolarHBondContact CA-O 3.37Å; D234-D239 VanDerWaalsContact OD1-CA 3.32Å; D234-D239 WeakPolarHBondContact OD1-CA 3.48Å; D234-D239 PolarHBondContact OD1-N 3.42Å; D234-I240 HydrophobicContact CB-CG2 4.3Å
235M98.8Very high98.4Very high1 Ų125.2 Ų25.21%0.00513%0.134CC..Hα-helixtrans-55.4-46.2175.4-74.2-173.1-67.700113.4L129 I133 L139 A144 F147 L148 L231 L232 Y233L129-M235 HydrophobicContact CD2-CG 4.11Å; L129-M235 HydrophobicContact CD2-SD 4.08Å; I133-M235 HydrophobicContact CD1-CG 4.07Å; L139-M235 WeakPolarHBondContact CB-O 3.45Å; L139-M235 HydrophobicContact CD1-CB 4.18Å; L139-M235 HydrophobicContact CD1-CG 4.15Å; L139-M235 WeakPolarHBondContact CG-O 3.43Å; L139-M235 PolarHBondContact N-O 3.14Å; A144-M235 HydrophobicContact CB-CB 3.98Å; A144-M235 HydrophobicContact CB-CE 4.46Å; A144-M235 HydrophobicContact CB-SD 4.33Å; F147-M235 HydrophobicContact CB-SD 3.88Å; F147-M235 HydrophobicContact CD2-SD 4.3Å; L148-M235 HydrophobicContact CB-CE 4.04Å; L148-M235 HydrophobicContact CD1-CE 4.22Å; L231-M235 HydrophobicContact CG-CE 4.23Å; L231-M235 WeakPolarHBondContact O-CG 3.19Å; L231-M235 PolarHBondContact O-N 2.76Å; L232-M235 HydrophobicContact CB-CE 4.4Å; L232-M235 HydrophobicContact CD1-CE 4.08Å; L232-M235 PolarHBondContact O-N 3.32Å; Y233-M235 PolarHBondContact O-N 2.84Å
236V98.6Very high98.4Very high4 Ų428.7 Ų28.72%0.02416%0.156CC..Hα-helixtrans-92.8-13.2-172-55.60000114.3A138 E141 A144 L232 Y233 D234 I259 I267A138-V236 WeakPolarHBondContact CB-O 3.41Å; E141-V236 HydrophobicContact CG-CG1 4.34Å; A144-V236 HydrophobicContact CB-CG1 3.62Å; L232-V236 HydrophobicContact CD1-CG1 4.09Å; L232-V236 WeakPolarHBondContact O-CG2 3.32Å; L232-V236 PolarHBondContact O-N 2.94Å; Y233-V236 PolarHBondContact O-N 3.48Å; D234-V236 PolarHBondContact O-N 3.04Å; V236-I259 HydrophobicContact CB-CG2 4.04Å; V236-I259 HydrophobicContact CG2-CD1 4.32Å; V236-I259 HydrophobicContact CG2-CG2 3.94Å; V236-I267 HydrophobicContact CG2-CD1 3.83Å
237C98.1Very high98.3Very high6 Ų631.1 Ų31.14%0.04117%0.169CC..Hα-helixtrans-107-20.9177.5-66.30000112.7Y233 D234 D239 K257Y233-C237 HydrophobicContact CD1-CB 3.87Å; Y233-C237 HydrophobicContact CE1-CB 3.53Å; Y233-C237 HydrophobicContact CE2-CB 4.45Å; Y233-C237 VanDerWaalsContact CE2-SG 3.58Å; Y233-C237 HydrophobicContact CG-CB 4.46Å; Y233-C237 VanDerWaalsContact CZ-SG 3.54Å; Y233-C237 WeakPolarHBondContact O-CB 3.25Å; Y233-C237 PolarHBondContact O-N 3.22Å; D234-C237 PolarHBondContact O-N 3.5Å; C237-D239 VanDerWaalsContact C-N 3.34Å; C237-K257 HydrophobicContact CB-CG 4.45Å; C237-K257 WeakPolarHBondContact O-CE 3.44Å
238G97.4Very high98.3Very high29 Ų2931 Ų3130%0.29917%0.167SC..SBendtrans80.112.5-177.600000114.4D234D234-G238 VanDerWaalsContact O-CA 3.22Å; D234-G238 WeakPolarHBondContact O-CA 3.36Å; D234-G238 PolarHBondContact O-N 3.1Å
239D97.3Very high98.3Very high91 Ų9132.9 Ų32.949%0.48718%0.179SC..SBendtrans-165.5161.2176-157.1-10.1000109.6Y233 D234 C237Y233-D239 WeakPolarHBondContact CD1-O 3.49Å; Y233-D239 WeakPolarHBondContact CE1-O 3.42Å; D234-D239 WeakPolarHBondContact CA-O 3.37Å; D234-D239 VanDerWaalsContact OD1-CA 3.32Å; D234-D239 WeakPolarHBondContact OD1-CA 3.48Å; D234-D239 PolarHBondContact OD1-N 3.42Å; C237-D239 VanDerWaalsContact C-N 3.34Å
240I98.3Very high98.2Very high32 Ų3238.8 Ų38.816%0.16421%0.205CC..  trans-69.4152.2-179.459.4174000112.7V206 Y207 V230 D234 F242V206-I240 HydrophobicContact CB-CD1 3.82Å; V206-I240 HydrophobicContact CG1-CD1 4.27Å; V206-I240 HydrophobicContact CG2-CD1 3.68Å; Y207-I240 HydrophobicContact CE2-CG2 4.08Å; V230-I240 HydrophobicContact CG1-CB 4.47Å; V230-I240 HydrophobicContact CG1-CG2 4.18Å; D234-I240 HydrophobicContact CB-CG2 4.3Å; I240-F242 WeakPolarHBondContact CD1-O 3.39Å
241P98.2Very high98.2Very high20 Ų2039.5 Ų39.513%0.1321%0.211CC..SBendtrans-76.6-21.5-177.928-31.1000114.4V230 Y233 P253 L271V230-P241 HydrophobicContact CG1-CG 4.38Å; V230-P241 HydrophobicContact CG2-CG 4.42Å; Y233-P241 HydrophobicContact CD1-CB 3.64Å; Y233-P241 VanDerWaalsContact CD1-CD 3.43Å; Y233-P241 HydrophobicContact CD1-CG 3.92Å; Y233-P241 HydrophobicContact CD2-CB 3.91Å; Y233-P241 VanDerWaalsContact CE1-CA 3.45Å; Y233-P241 HydrophobicContact CE1-CB 3.73Å; Y233-P241 HydrophobicContact CE1-CG 4.46Å; Y233-P241 HydrophobicContact CE2-CB 4Å; Y233-P241 HydrophobicContact CG-CB 3.73Å; Y233-P241 HydrophobicContact CG-CG 3.95Å; P241-P253 HydrophobicContact CB-CB 3.86Å; P241-L271 HydrophobicContact CG-CD1 4.15Å
242F98.4Very high98.1Very high4 Ų447.3 Ų47.32%0.01825%0.245CC..  trans-141.3125-172-44.7-58.4000111.3W226 I240 D247 I248 P253 L271W226-F242 AromaticContact CH2-CE2 3.87Å; W226-F242 HydrophobicContact CH2-CE2 3.87Å; W226-F242 AromaticContact CZ2-CD2 3.95Å; W226-F242 HydrophobicContact CZ2-CD2 3.95Å; W226-F242 AromaticContact CZ2-CE2 3.6Å; W226-F242 HydrophobicContact CZ2-CE2 3.6Å; I240-F242 WeakPolarHBondContact CD1-O 3.39Å; F242-D247 HydrophobicContact CB-CB 4.18Å; F242-D247 HydrophobicContact CD1-CB 3.99Å; F242-D247 WeakPolarHBondContact CD1-O 3.35Å; F242-D247 HydrophobicContact CG-CB 4.49Å; F242-I248 HydrophobicContact CB-CG1 3.61Å; F242-I248 HydrophobicContact CD2-CG1 4.31Å; F242-I248 HydrophobicContact CG-CG1 4.21Å; F242-P253 HydrophobicContact CE1-CB 4.32Å; F242-P253 HydrophobicContact CZ-CB 4.16Å; F242-L271 HydrophobicContact CE2-CD1 4.01Å; F242-L271 HydrophobicContact CE2-CD2 4.35Å; F242-L271 HydrophobicContact CZ-CD1 4.19Å
243E96.6Very high98.1Very high135 Ų13548.1 Ų48.163%0.63125%0.25SS*.SBendtrans-102.5-28.1176-65.9177.3-160.200112.8
244Q97.9Very high97.9Very high116 Ų11652 Ų5254%0.54228%0.279SS..SBendtrans-115.8149.2-174.2-58.9-177.626.600111.5T246 D247 I248Q244-T246 PolarHBondContact O-N 2.99Å; Q244-T246 VanDerWaalsContact O-N 3.1Å; Q244-D247 PolarHBondContact O-N 2.91Å; Q244-I248 PolarHBondContact O-N 3.45Å
245D98.3Very high97.8Very high61 Ų6153.4 Ų53.433%0.32629%0.285SS..Hα-helixtrans-50.3-37.7174.2-746.4000112.2R205 I213 D247 I248 V249R205-D245 IonicContact CZ-OD1 3.53Å; R205-D245 IonicContact CZ-OD2 2.7Å; R205-D245 IonicContact NE-OD1 2.82Å; R205-D245 PolarHBondContact NE-OD1 2.99Å; R205-D245 IonicContact NE-OD2 3.62Å; R205-D245 PolarHBondContact NE-OD2 2.67Å; R205-D245 IonicContact NH2-OD1 2.86Å; R205-D245 IonicContact NH2-OD2 3.47Å; R205-D245 PolarHBondContact NH2-OD2 3.25Å; I213-D245 HydrophobicContact CG2-CB 3.81Å; D245-D247 VanDerWaalsContact C-N 3.29Å; D245-D247 PolarHBondContact O-N 3.16Å; D245-I248 PolarHBondContact O-N 2.99Å; D245-V249 WeakPolarHBondContact O-CB 3.49Å; D245-V249 WeakPolarHBondContact O-CG2 3.46Å; D245-V249 PolarHBondContact O-N 3.43Å
246T98Very high97.2Very high78 Ų7859.2 Ų59.248%0.47932%0.316SS..Hα-helixtrans-64.4-31.5178.5530000112.9Q244 K250Q244-T246 PolarHBondContact O-N 2.99Å; Q244-T246 VanDerWaalsContact O-N 3.1Å; T246-K250 WeakPolarHBondContact O-CD 3.21Å; T246-K250 WeakPolarHBondContact O-CE 3.44Å; T246-K250 WeakPolarHBondContact O-CG 3.26Å; T246-K250 PolarHBondContact O-N 3.17Å
247D97.9Very high96.8Very high50 Ų5063.9 Ų63.927%0.26734%0.336SS..Hα-helixtrans-84.1-38.6179.3-59.9-40.4000111.4F242 Q244 D245 V249 K250 A251F242-D247 HydrophobicContact CB-CB 4.18Å; F242-D247 HydrophobicContact CD1-CB 3.99Å; F242-D247 WeakPolarHBondContact CD1-O 3.35Å; F242-D247 HydrophobicContact CG-CB 4.49Å; Q244-D247 PolarHBondContact O-N 2.91Å; D245-D247 VanDerWaalsContact C-N 3.29Å; D245-D247 PolarHBondContact O-N 3.16Å; D247-V249 VanDerWaalsContact C-N 3.32Å; D247-V249 PolarHBondContact O-N 3.33Å; D247-K250 PolarHBondContact O-N 2.68Å; D247-K250 IonicContact OD1-NZ 3.57Å; D247-K250 PolarHBondContact OD1-NZ 3.45Å; D247-A251 PolarHBondContact O-N 2.71Å; D247-A251 VanDerWaalsContact O-N 3.12Å
248I98.6Very high96.5Very high1 Ų175.5 Ų75.51%0.00538%0.379CS..Hα-helixtrans-54.4-51.3169.9-62.6171.8000109.4S208 P210 I213 W226 F242 Q244 D245 K250 A251S208-I248 WeakPolarHBondContact O-CG2 3.37Å; P210-I248 HydrophobicContact CG-CG2 4.31Å; P210-I248 WeakPolarHBondContact CG-O 3.45Å; I213-I248 HydrophobicContact CD1-CD1 4.34Å; I213-I248 HydrophobicContact CG1-CB 4.43Å; I213-I248 HydrophobicContact CG1-CD1 4.41Å; I213-I248 HydrophobicContact CG1-CG2 3.81Å; W226-I248 HydrophobicContact CZ2-CG2 3.91Å; F242-I248 HydrophobicContact CB-CG1 3.61Å; F242-I248 HydrophobicContact CD2-CG1 4.31Å; F242-I248 HydrophobicContact CG-CG1 4.21Å; Q244-I248 PolarHBondContact O-N 3.45Å; D245-I248 PolarHBondContact O-N 2.99Å; I248-K250 VanDerWaalsContact C-N 3.32Å; I248-K250 PolarHBondContact O-N 3.13Å; I248-A251 WeakPolarHBondContact O-CA 3.42Å; I248-A251 PolarHBondContact O-N 3.4Å
249V98.4Very high96.4Very high43 Ų4375 Ų7526%0.26137%0.369SS..Hα-helixtrans-65.2-31.4-179.2171.30000112.8I213 L214 D245 D247 A251 F273I213-V249 HydrophobicContact CB-CG2 4.09Å; I213-V249 HydrophobicContact CG2-CG2 3.67Å; L214-V249 HydrophobicContact CD1-CG1 4.27Å; L214-V249 HydrophobicContact CD2-CG1 4.04Å; L214-V249 HydrophobicContact CD2-CG2 3.96Å; L214-V249 HydrophobicContact CG-CG1 4.4Å; L214-V249 HydrophobicContact CG-CG2 4Å; D245-V249 WeakPolarHBondContact O-CB 3.49Å; D245-V249 WeakPolarHBondContact O-CG2 3.46Å; D245-V249 PolarHBondContact O-N 3.43Å; D247-V249 VanDerWaalsContact C-N 3.32Å; D247-V249 PolarHBondContact O-N 3.33Å; V249-A251 VanDerWaalsContact C-N 3.25Å; V249-A251 PolarHBondContact O-N 2.72Å; V249-F273 HydrophobicContact CG1-CE2 4.39Å; V249-F273 VanDerWaalsContact O-CD2 3.28Å; V249-F273 WeakPolarHBondContact O-CD2 3.43Å; V249-F273 VanDerWaalsContact O-CE2 3.3Å; V249-F273 WeakPolarHBondContact O-CE2 3.42Å
250K98.1Very high96.5Very high124 Ų12472.5 Ų72.554%0.53936%0.359SS..Hα-helixtrans-68.6-26.4172.7-75167.3-156.81560112.3T246 D247 I248 K252T246-K250 WeakPolarHBondContact O-CD 3.21Å; T246-K250 WeakPolarHBondContact O-CE 3.44Å; T246-K250 WeakPolarHBondContact O-CG 3.26Å; T246-K250 PolarHBondContact O-N 3.17Å; D247-K250 PolarHBondContact O-N 2.68Å; D247-K250 IonicContact OD1-NZ 3.57Å; D247-K250 PolarHBondContact OD1-NZ 3.45Å; I248-K250 VanDerWaalsContact C-N 3.32Å; I248-K250 PolarHBondContact O-N 3.13Å; K250-K252 VanDerWaalsContact C-N 3.25Å; K250-K252 WeakPolarHBondContact O-CG 3.49Å; K250-K252 PolarHBondContact O-N 3.44Å
251A98.1Very high96.4Very high15 Ų1577.3 Ų77.312%0.12439%0.385CS..THydrogen-bonded Turntrans49.643.9179.800000113P210 W226 D247 I248 V249 F273P210-A251 HydrophobicContact CG-CB 4.41Å; W226-A251 HydrophobicContact CH2-CB 3.86Å; W226-A251 HydrophobicContact CZ3-CB 4.09Å; D247-A251 PolarHBondContact O-N 2.71Å; D247-A251 VanDerWaalsContact O-N 3.12Å; I248-A251 WeakPolarHBondContact O-CA 3.42Å; I248-A251 PolarHBondContact O-N 3.4Å; V249-A251 VanDerWaalsContact C-N 3.25Å; V249-A251 PolarHBondContact O-N 2.72Å; A251-F273 HydrophobicContact CB-CB 3.96Å; A251-F273 HydrophobicContact CB-CD2 4.27Å
252K97.8Very high96.4Very high164 Ų16480 Ų8071%0.71340%0.398SS*.  trans-12985.1-175.8-80.1174.7-178.2-177.60110.4K250K250-K252 VanDerWaalsContact C-N 3.25Å; K250-K252 WeakPolarHBondContact O-CG 3.49Å; K250-K252 PolarHBondContact O-N 3.44Å
253P97.1Very high96.4Very high19 Ų1979.8 Ų79.812%0.12340%0.398CS..  trans-65.7141.5-179.428.2-34.3000110.9Y233 P241 F242 F255 I267 L271Y233-P253 HydrophobicContact CD2-CB 4.04Å; Y233-P253 HydrophobicContact CE2-CB 3.92Å; P241-P253 HydrophobicContact CB-CB 3.86Å; F242-P253 HydrophobicContact CE1-CB 4.32Å; F242-P253 HydrophobicContact CZ-CB 4.16Å; P253-F255 HydrophobicContact CB-CE2 4.13Å; P253-F255 HydrophobicContact CB-CZ 4.17Å; P253-F255 HydrophobicContact CG-CE2 3.81Å; P253-F255 HydrophobicContact CG-CZ 3.9Å; P253-I267 HydrophobicContact CG-CG2 4.49Å; P253-L271 HydrophobicContact CB-CD1 4.22Å; P253-L271 HydrophobicContact CG-CD1 4.08Å
254S95.9Very high96.5Very high93 Ų9377.6 Ų77.665%0.6538%0.383SS*.  trans-110.6101.2-177.2-68.50000111.5Y233 N256Y233-S254 PolarHBondContact OH-O 3.37Å; S254-N256 PolarHBondContact O-N 2.89Å
255F95.9Very high96.6Very high35 Ų3574.7 Ų74.715%0.15438%0.376CS..  trans-79.8112-174.3-57.7-91.9000112.2Y233 P253 I259 R264 I267Y233-F255 AromaticContact CD2-CD1 3.99Å; Y233-F255 HydrophobicContact CD2-CD1 3.99Å; Y233-F255 AromaticContact CD2-CE1 3.59Å; Y233-F255 HydrophobicContact CD2-CE1 3.59Å; Y233-F255 HydrophobicContact CD2-CZ 4.19Å; Y233-F255 AromaticContact CE2-CD1 3.67Å; Y233-F255 HydrophobicContact CE2-CD1 3.67Å; Y233-F255 AromaticContact CE2-CE1 3.71Å; Y233-F255 HydrophobicContact CE2-CE1 3.71Å; Y233-F255 HydrophobicContact CE2-CG 4.23Å; Y233-F255 HydrophobicContact CE2-CZ 4.3Å; P253-F255 HydrophobicContact CB-CE2 4.13Å; P253-F255 HydrophobicContact CB-CZ 4.17Å; P253-F255 HydrophobicContact CG-CE2 3.81Å; P253-F255 HydrophobicContact CG-CZ 3.9Å; F255-I259 HydrophobicContact CD1-CD1 3.4Å; F255-I259 HydrophobicContact CD1-CG1 4.23Å; F255-I259 HydrophobicContact CE1-CD1 3.5Å; F255-I259 HydrophobicContact CG-CD1 4.39Å; F255-R264 VanDerWaalsContact CB-NH2 3.3Å; F255-R264 HydrophobicContact CD2-CG 4.17Å; F255-R264 HydrophobicContact CE1-CG 4.31Å; F255-R264 HydrophobicContact CE2-CG 3.72Å; F255-R264 HydrophobicContact CZ-CB 4.5Å; F255-R264 HydrophobicContact CZ-CG 3.79Å; F255-I267 HydrophobicContact CE1-CB 4.35Å; F255-I267 HydrophobicContact CE1-CD1 3.82Å; F255-I267 HydrophobicContact CE1-CG2 4.06Å; F255-I267 HydrophobicContact CZ-CB 4.2Å; F255-I267 HydrophobicContact CZ-CG2 3.82Å
256N87.4Confident96.6Very high124 Ų12471.9 Ų71.966%0.66336%0.361SS*.  trans-93.2-17.5174.562.32.9000113.1S254S254-N256 PolarHBondContact O-N 2.89Å
257K89Confident96.6Very high101 Ų10168.1 Ų68.144%0.43934%0.338SS..SBendtrans-95.3153.7174.2-58.7-56.5-178.7167.80111.9A138 C237 I259A138-K257 HydrophobicContact CB-CG 4.47Å; C237-K257 HydrophobicContact CB-CG 4.45Å; C237-K257 WeakPolarHBondContact O-CE 3.44Å; K257-I259 PolarHBondContact O-N 3.2Å
258R92.1Very high96.7Very high250 Ų25068.3 Ų68.394%0.94334%0.342SS*.  trans-82.5103.5172.3-177.2179.2-69.4-141.5-0.5108.5
259I96.3Very high96.7Very high18 Ų1870.3 Ų70.39%0.09236%0.356CS..  trans-116.1161.3171.563.5171.2000109.9E141 V236 F255 K257 C263 R264 I267E141-I259 WeakPolarHBondContact OE1-CA 3.5Å; E141-I259 WeakPolarHBondContact OE1-CB 3.5Å; V236-I259 HydrophobicContact CB-CG2 4.04Å; V236-I259 HydrophobicContact CG2-CD1 4.32Å; V236-I259 HydrophobicContact CG2-CG2 3.94Å; F255-I259 HydrophobicContact CD1-CD1 3.4Å; F255-I259 HydrophobicContact CD1-CG1 4.23Å; F255-I259 HydrophobicContact CE1-CD1 3.5Å; F255-I259 HydrophobicContact CG-CD1 4.39Å; K257-I259 PolarHBondContact O-N 3.2Å; I259-C263 HydrophobicContact CB-CB 4.35Å; I259-C263 HydrophobicContact CD1-CB 4.21Å; I259-R264 HydrophobicContact CD1-CB 3.99Å; I259-R264 HydrophobicContact CG1-CB 4.36Å; I259-I267 HydrophobicContact CD1-CD1 4.04Å
260S97.6Very high96.7Very high39 Ų3968.4 Ų68.427%0.27335%0.345SS..  trans-62.2154.2176.172.20000111.6E141 D262 C263 R264E141-S260 PolarHBondContact OE1-N 2.97Å; E141-S260 WeakPolarHBondContact OE2-CB 3.18Å; E141-S260 PolarHBondContact OE2-OG 3.31Å; S260-D262 PolarHBondContact O-N 3.26Å; S260-C263 PolarHBondContact O-N 3.39Å; S260-C263 VanDerWaalsContact OG-CB 3.26Å; S260-C263 WeakPolarHBondContact OG-CB 3.32Å; S260-C263 PolarHBondContact OG-N 2.77Å; S260-R264 PolarHBondContact O-N 3.05Å
261N97.6Very high96.7Very high133 Ų13362.6 Ų62.671%0.71132%0.32SS*.Hα-helixtrans-62.5-33.7175.7-71.1-28.2000111.4S265N261-S265 VanDerWaalsContact O-CB 3.25Å; N261-S265 WeakPolarHBondContact O-CB 3.37Å; N261-S265 PolarHBondContact O-N 2.91Å
262D98.3Very high96.8Very high77 Ų7763.2 Ų63.241%0.41232%0.323SS..Hα-helixtrans-71.6-39.1179.3-67.4-10.3000111.3S260 S265 L266 H287 W289S260-D262 PolarHBondContact O-N 3.26Å; D262-S265 WeakPolarHBondContact O-CB 3.31Å; D262-S265 PolarHBondContact O-N 3.31Å; D262-L266 PolarHBondContact O-N 2.88Å; D262-H287 PolarHBondContact O-CE1 3.21Å; D262-W289 HydrophobicContact CB-CB 3.81Å; D262-W289 HydrophobicContact CB-CG 4.39Å
263C98.5Very high96.8Very high0 Ų059.3 Ų59.30%031%0.306CS..Hα-helixtrans-61.3-49.7173.1-1700000110.9E141 I259 S260 S265 L266 I267 W289E141-C263 WeakPolarHBondContact OE2-CB 3.43Å; I259-C263 HydrophobicContact CB-CB 4.35Å; I259-C263 HydrophobicContact CD1-CB 4.21Å; S260-C263 PolarHBondContact O-N 3.39Å; S260-C263 VanDerWaalsContact OG-CB 3.26Å; S260-C263 WeakPolarHBondContact OG-CB 3.32Å; S260-C263 PolarHBondContact OG-N 2.77Å; C263-S265 VanDerWaalsContact C-N 3.29Å; C263-S265 PolarHBondContact O-N 3.49Å; C263-L266 PolarHBondContact O-N 2.82Å; C263-I267 WeakPolarHBondContact O-CG1 3.49Å; C263-I267 PolarHBondContact O-N 2.83Å; C263-W289 HydrophobicContact CB-CD2 4.37Å; C263-W289 HydrophobicContact CB-CG 4.2Å; C263-W289 HydrophobicContact CB-CZ2 4.49Å; C263-W289 VanDerWaalsContact N-CD1 3.3Å
264R98.6Very high96.9Very high89 Ų8962.4 Ų62.434%0.33632%0.322SS..Hα-helixtrans-57-44.6176.3-176.2-177.8-63.4-106.8-5111.4F255 I259 S260 I267 C268F255-R264 VanDerWaalsContact CB-NH2 3.3Å; F255-R264 HydrophobicContact CD2-CG 4.17Å; F255-R264 HydrophobicContact CE1-CG 4.31Å; F255-R264 HydrophobicContact CE2-CG 3.72Å; F255-R264 HydrophobicContact CZ-CB 4.5Å; F255-R264 HydrophobicContact CZ-CG 3.79Å; I259-R264 HydrophobicContact CD1-CB 3.99Å; I259-R264 HydrophobicContact CG1-CB 4.36Å; S260-R264 PolarHBondContact O-N 3.05Å; R264-I267 PolarHBondContact O-N 3.37Å; R264-C268 WeakPolarHBondContact O-CB 3.49Å; R264-C268 PolarHBondContact O-N 3.22Å; R264-C268 PolarHBondContact O-SG 2.97Å
265S98.5Very high97Very high55 Ų5560.1 Ų60.139%0.38531%0.305SS..Hα-helixtrans-58.1-50.5177.6-1790000110.9N261 D262 C263 I267 C268 S269N261-S265 VanDerWaalsContact O-CB 3.25Å; N261-S265 WeakPolarHBondContact O-CB 3.37Å; N261-S265 PolarHBondContact O-N 2.91Å; D262-S265 WeakPolarHBondContact O-CB 3.31Å; D262-S265 PolarHBondContact O-N 3.31Å; C263-S265 VanDerWaalsContact C-N 3.29Å; C263-S265 PolarHBondContact O-N 3.49Å; S265-I267 PolarHBondContact O-N 2.88Å; S265-C268 PolarHBondContact O-N 3.24Å; S265-S269 PolarHBondContact O-N 3.06Å; S265-S269 PolarHBondContact O-OG 3.11Å; S265-S269 VanDerWaalsContact O-OG 3.11Å
266L98.8Very high97.1Very high1 Ų162 Ų621%0.00533%0.334CS..Hα-helixtrans-60.9-47.1179.5179.956.6000112.2L148 L232 D262 C263 C268 S269 C270 I284 H287 W289 M290L148-L266 HydrophobicContact CD2-CD2 4.35Å; L232-L266 HydrophobicContact CD2-CB 4.48Å; L232-L266 HydrophobicContact CD2-CD2 3.81Å; L232-L266 HydrophobicContact CD2-CG 4.02Å; D262-L266 PolarHBondContact O-N 2.88Å; C263-L266 PolarHBondContact O-N 2.82Å; L266-C268 VanDerWaalsContact C-N 3.35Å; L266-C268 PolarHBondContact O-N 3.3Å; L266-S269 PolarHBondContact O-N 3.47Å; L266-C270 PolarHBondContact O-N 3.32Å; L266-C270 PolarHBondContact O-SG 2.93Å; L266-C270 VanDerWaalsContact O-SG 3.41Å; L266-I284 HydrophobicContact CD1-CB 4.44Å; L266-I284 HydrophobicContact CD1-CG1 4.24Å; L266-I284 HydrophobicContact CD1-CG2 4.03Å; L266-I284 HydrophobicContact CD2-CG2 4.24Å; L266-H287 HydrophobicContact CD1-CB 4.02Å; L266-H287 HydrophobicContact CD2-CB 4.47Å; L266-W289 HydrophobicContact CD2-CD2 4.39Å; L266-W289 HydrophobicContact CD2-CE3 3.56Å; L266-W289 HydrophobicContact CD2-CZ3 4.18Å; L266-M290 HydrophobicContact CD2-CG 4.09Å; L266-M290 HydrophobicContact CD2-SD 4.42Å
267I98.9Very high97.7Very high0 Ų061 Ų610%033%0.329CS..Hα-helixtrans-57.1-50177.1-68.9167.2000110.2L232 Y233 V236 P253 F255 I259 C263 R264 S265 S269 C270 L271L232-I267 HydrophobicContact CB-CG1 4.25Å; L232-I267 HydrophobicContact CD2-CD1 4.31Å; L232-I267 HydrophobicContact CD2-CG1 3.53Å; L232-I267 HydrophobicContact CG-CD1 4.03Å; L232-I267 HydrophobicContact CG-CG1 3.64Å; Y233-I267 HydrophobicContact CD2-CG2 4.12Å; V236-I267 HydrophobicContact CG2-CD1 3.83Å; P253-I267 HydrophobicContact CG-CG2 4.49Å; F255-I267 HydrophobicContact CE1-CB 4.35Å; F255-I267 HydrophobicContact CE1-CD1 3.82Å; F255-I267 HydrophobicContact CE1-CG2 4.06Å; F255-I267 HydrophobicContact CZ-CB 4.2Å; F255-I267 HydrophobicContact CZ-CG2 3.82Å; I259-I267 HydrophobicContact CD1-CD1 4.04Å; C263-I267 WeakPolarHBondContact O-CG1 3.49Å; C263-I267 PolarHBondContact O-N 2.83Å; R264-I267 PolarHBondContact O-N 3.37Å; S265-I267 PolarHBondContact O-N 2.88Å; I267-S269 VanDerWaalsContact C-N 3.32Å; I267-S269 PolarHBondContact O-N 3.44Å; I267-C270 PolarHBondContact O-N 2.94Å; I267-L271 HydrophobicContact CG2-CD1 3.74Å; I267-L271 HydrophobicContact CG2-CG 4.41Å; I267-L271 WeakPolarHBondContact O-CB 3.4Å; I267-L271 WeakPolarHBondContact O-CG 3.42Å; I267-L271 PolarHBondContact O-N 3.31Å
268C98.8Very high98.1Very high53 Ų5357 Ų5736%0.35831%0.311SS..Hα-helixtrans-62.9-37.3179.2-71.90000112.5R264 S265 L266 L271 S272R264-C268 WeakPolarHBondContact O-CB 3.49Å; R264-C268 PolarHBondContact O-N 3.22Å; R264-C268 PolarHBondContact O-SG 2.97Å; S265-C268 PolarHBondContact O-N 3.24Å; L266-C268 VanDerWaalsContact C-N 3.35Å; L266-C268 PolarHBondContact O-N 3.3Å; C268-L271 CarbonylContact O-C 3.35Å; C268-L271 PolarHBondContact O-N 3.04Å; C268-S272 PolarHBondContact O-N 3.29Å; C268-S272 PolarHBondContact O-OG 3.41Å
269S98.8Very high98.4Very high43 Ų4346 Ų4630%0.30127%0.272SS..Hα-helixtrans-63.8-46.2175.2-66.10000112S265 L266 I267 L271 S272 P279S265-S269 PolarHBondContact O-N 3.06Å; S265-S269 PolarHBondContact O-OG 3.11Å; S265-S269 VanDerWaalsContact O-OG 3.11Å; L266-S269 PolarHBondContact O-N 3.47Å; I267-S269 VanDerWaalsContact C-N 3.32Å; I267-S269 PolarHBondContact O-N 3.44Å; S269-L271 VanDerWaalsContact C-N 3.32Å; S269-L271 PolarHBondContact O-N 3.27Å; S269-S272 WeakPolarHBondContact O-CB 3.31Å; S269-S272 PolarHBondContact O-N 3.37Å; S269-S272 PolarHBondContact O-OG 3Å; S269-P279 WeakPolarHBondContact O-CD 3.46Å
270C98.9Very high98.6Very high3 Ų347.3 Ų47.32%0.0228%0.282CS..Hα-helixtrans-63.6-36.5176.2-680000112.6V225 L266 I267 S272 R278V225-C270 HydrophobicContact CG1-CB 4.04Å; L266-C270 PolarHBondContact O-N 3.32Å; L266-C270 PolarHBondContact O-SG 2.93Å; L266-C270 VanDerWaalsContact O-SG 3.41Å; I267-C270 PolarHBondContact O-N 2.94Å; C270-S272 VanDerWaalsContact C-N 3.28Å; C270-S272 PolarHBondContact O-N 3.35Å; C270-R278 WeakPolarHBondContact O-CD 3.41Å
271L98.9Very high98.6Very high2 Ų245.9 Ų45.91%0.0127%0.272CS..THydrogen-bonded Turntrans-90.725.2179.5-60.6179.9000113.4W226 V230 P241 F242 P253 I267 C268 S269 F273W226-L271 HydrophobicContact CD2-CD2 3.78Å; W226-L271 HydrophobicContact CE3-CB 4.43Å; W226-L271 HydrophobicContact CE3-CD2 3.95Å; W226-L271 HydrophobicContact CG-CD2 4.26Å; W226-L271 HydrophobicContact CH2-CB 4.49Å; W226-L271 HydrophobicContact CH2-CD2 4.31Å; W226-L271 HydrophobicContact CZ2-CD2 4.14Å; W226-L271 HydrophobicContact CZ3-CB 4.15Å; W226-L271 HydrophobicContact CZ3-CD2 4.23Å; W226-L271 VanDerWaalsContact CZ3-O 3.31Å; W226-L271 WeakPolarHBondContact CZ3-O 3.33Å; W226-L271 WeakPolarHBondContact O-CD2 3.34Å; V230-L271 HydrophobicContact CG2-CD2 3.8Å; P241-L271 HydrophobicContact CG-CD1 4.15Å; F242-L271 HydrophobicContact CE2-CD1 4.01Å; F242-L271 HydrophobicContact CE2-CD2 4.35Å; F242-L271 HydrophobicContact CZ-CD1 4.19Å; P253-L271 HydrophobicContact CB-CD1 4.22Å; P253-L271 HydrophobicContact CG-CD1 4.08Å; I267-L271 HydrophobicContact CG2-CD1 3.74Å; I267-L271 HydrophobicContact CG2-CG 4.41Å; I267-L271 WeakPolarHBondContact O-CB 3.4Å; I267-L271 WeakPolarHBondContact O-CG 3.42Å; I267-L271 PolarHBondContact O-N 3.31Å; C268-L271 CarbonylContact O-C 3.35Å; C268-L271 PolarHBondContact O-N 3.04Å; S269-L271 VanDerWaalsContact C-N 3.32Å; S269-L271 PolarHBondContact O-N 3.27Å; L271-F273 PolarHBondContact O-N 3.49Å
272S98.8Very high98.7Very high29 Ų2944 Ų4420%0.20326%0.259CS..  trans-64.1134.3173.6-630000110.9C268 S269 C270 N274 R278C268-S272 PolarHBondContact O-N 3.29Å; C268-S272 PolarHBondContact O-OG 3.41Å; S269-S272 WeakPolarHBondContact O-CB 3.31Å; S269-S272 PolarHBondContact O-N 3.37Å; S269-S272 PolarHBondContact O-OG 3Å; C270-S272 VanDerWaalsContact C-N 3.28Å; C270-S272 PolarHBondContact O-N 3.35Å; S272-N274 PolarHBondContact O-N 3.26Å; S272-R278 PolarHBondContact O-NE 3.08Å; S272-R278 PolarHBondContact O-NH2 3.19Å
273F98.7Very high98.7Very high81 Ų8145.6 Ų45.636%0.35526%0.264SS..SBendtrans-56.5-51.2-180178.9-92.6000111.5P210 L214 V249 A251 L271 R278P210-F273 HydrophobicContact CB-CD2 3.86Å; P210-F273 HydrophobicContact CB-CE2 3.79Å; P210-F273 HydrophobicContact CG-CD2 4.12Å; L214-F273 HydrophobicContact CD1-CE2 3.98Å; L214-F273 HydrophobicContact CD1-CZ 3.7Å; V249-F273 HydrophobicContact CG1-CE2 4.39Å; V249-F273 VanDerWaalsContact O-CD2 3.28Å; V249-F273 WeakPolarHBondContact O-CD2 3.43Å; V249-F273 VanDerWaalsContact O-CE2 3.3Å; V249-F273 WeakPolarHBondContact O-CE2 3.42Å; A251-F273 HydrophobicContact CB-CB 3.96Å; A251-F273 HydrophobicContact CB-CD2 4.27Å; L271-F273 PolarHBondContact O-N 3.49Å; F273-R278 PolarHBondContact O-NH2 3.3Å
274N98.6Very high98.7Very high85 Ų8545.7 Ų45.746%0.45526%0.264SS..SBendtrans-75.5129.2177.6-54.4-55000109.9S272 G276 D277S272-N274 PolarHBondContact O-N 3.26Å; N274-G276 PolarHBondContact O-N 3.39Å; N274-D277 HydrophobicContact CB-CB 4.43Å; N274-D277 VanDerWaalsContact CB-OD2 3.31Å; N274-D277 WeakPolarHBondContact CB-OD2 3.26Å; N274-D277 PolarHBondContact ND2-OD2 2.81Å; N274-D277 PolarHBondContact O-N 3.46Å; N274-D277 VanDerWaalsContact O-N 3.13Å
275P98.5Very high98.7Very high44 Ų4443.5 Ų43.529%0.28626%0.259SS..G310 helixtrans-59.3-31.5179.7-27.336.4000114.2E211 P222 D277 R278E211-P275 HydrophobicContact CB-CG 4.41Å; E211-P275 VanDerWaalsContact CD-CG 3.49Å; E211-P275 HydrophobicContact CG-CG 4.07Å; E211-P275 WeakPolarHBondContact OE1-CG 3.35Å; P222-P275 HydrophobicContact CB-CB 3.66Å; P222-P275 HydrophobicContact CG-CB 4Å; P275-D277 VanDerWaalsContact C-N 3.31Å; P275-D277 PolarHBondContact O-N 3.41Å; P275-R278 WeakPolarHBondContact O-CB 3.31Å; P275-R278 PolarHBondContact O-N 3.44Å
276G98.4Very high98.6Very high74 Ų7447.4 Ų47.476%0.76327%0.271SS*.G310 helixtrans-75.8-14.8-179.400000114.8N274 R278N274-G276 PolarHBondContact O-N 3.39Å; G276-R278 VanDerWaalsContact C-N 3.33Å
277D98.6Very high98.6Very high104 Ų10448.7 Ų48.756%0.55628%0.277SS*.G310 helixtrans-87-10.5176.5-63.2-24.1000111.7N274 P275N274-D277 HydrophobicContact CB-CB 4.43Å; N274-D277 VanDerWaalsContact CB-OD2 3.31Å; N274-D277 WeakPolarHBondContact CB-OD2 3.26Å; N274-D277 PolarHBondContact ND2-OD2 2.81Å; N274-D277 PolarHBondContact O-N 3.46Å; N274-D277 VanDerWaalsContact O-N 3.13Å; P275-D277 VanDerWaalsContact C-N 3.31Å; P275-D277 PolarHBondContact O-N 3.41Å
278R98.8Very high98.6Very high17 Ų1752.5 Ų52.56%0.06430%0.301CS..SBendtrans-76.1138.1179.8-59.8-178-164.7144.113.1110.3E211 P222 V225 C270 S272 F273 P275 G276E211-R278 IonicContact OE1-CZ 3.84Å; E211-R278 IonicContact OE1-NH1 2.93Å; E211-R278 PolarHBondContact OE1-NH1 2.97Å; E211-R278 IonicContact OE1-NH2 2.74Å; E211-R278 PolarHBondContact OE1-NH2 3.43Å; E211-R278 IonicContact OE2-CZ 3.5Å; E211-R278 IonicContact OE2-NH1 2.81Å; E211-R278 IonicContact OE2-NH2 2.83Å; E211-R278 PolarHBondContact OE2-NH2 3.13Å; P222-R278 WeakPolarHBondContact O-CD 3.4Å; P222-R278 PolarHBondContact O-NH1 3.37Å; V225-R278 HydrophobicContact CB-CB 4.36Å; V225-R278 HydrophobicContact CG1-CB 3.8Å; C270-R278 WeakPolarHBondContact O-CD 3.41Å; S272-R278 PolarHBondContact O-NE 3.08Å; S272-R278 PolarHBondContact O-NH2 3.19Å; F273-R278 PolarHBondContact O-NH2 3.3Å; P275-R278 WeakPolarHBondContact O-CB 3.31Å; P275-R278 PolarHBondContact O-N 3.44Å; G276-R278 VanDerWaalsContact C-N 3.33Å
279P98.8Very high98.5Very high20 Ų2050 Ų5013%0.1328%0.284CS..PPolyproline II helixtrans-67.7154.7179.829.2-35.9000112V225 S269 Q283 I284V225-P279 HydrophobicContact CG1-CG 4.19Å; V225-P279 WeakPolarHBondContact CG2-O 3.38Å; S269-P279 WeakPolarHBondContact O-CD 3.46Å; P279-Q283 HydrophobicContact CB-CB 3.82Å; P279-I284 HydrophobicContact CB-CG1 4.07Å; P279-I284 HydrophobicContact CG-CD1 4.24Å; P279-I284 HydrophobicContact CG-CG1 3.65Å
280S98.8Very high98.5Very high44 Ų4448.9 Ų48.931%0.30828%0.275SS..PPolyproline II helixtrans-69.116516590.60000111.3E282 Q283 I284S280-E282 WeakPolarHBondContact CB-OE2 3.48Å; S280-E282 PolarHBondContact O-N 3.36Å; S280-E282 PolarHBondContact OG-N 2.75Å; S280-E282 PolarHBondContact OG-OE2 3.46Å; S280-Q283 WeakPolarHBondContact O-CB 3.5Å; S280-Q283 PolarHBondContact O-N 3.49Å; S280-Q283 VanDerWaalsContact O-N 3.11Å; S280-Q283 PolarHBondContact OG-N 3.27Å; S280-I284 WeakPolarHBondContact O-CG1 3.4Å; S280-I284 PolarHBondContact O-N 3.3Å
281L98.7Very high98.2Very high9 Ų955 Ų555%0.04731%0.305CS..Hα-helixtrans-59.7-37.3176.5-61.4-177.5000111.9I152 V155 Q156 V225 L228 I284 L285I152-L281 HydrophobicContact CG2-CB 4.09Å; I152-L281 HydrophobicContact CG2-CD2 4.49Å; V155-L281 HydrophobicContact CG1-CD1 3.8Å; Q156-L281 HydrophobicContact CG-CB 4.09Å; Q156-L281 HydrophobicContact CG-CD1 3.66Å; V225-L281 HydrophobicContact CG2-CD2 4.2Å; L228-L281 HydrophobicContact CD1-CD2 3.54Å; L281-I284 HydrophobicContact CD2-CD1 4.28Å; L281-I284 PolarHBondContact O-N 3.24Å; L281-L285 WeakPolarHBondContact O-CG 3.19Å; L281-L285 PolarHBondContact O-N 2.73Å; L281-L285 VanDerWaalsContact O-N 3.09Å
282E98.4Very high97.5Very high94 Ų9460 Ų6044%0.43933%0.328SS..Hα-helixtrans-66.1-40.9175.5-58.967.7-144.300111.2Q156 S280 I284 L285 Q286Q156-E282 PolarHBondContact NE2-OE1 2.9Å; S280-E282 WeakPolarHBondContact CB-OE2 3.48Å; S280-E282 PolarHBondContact O-N 3.36Å; S280-E282 PolarHBondContact OG-N 2.75Å; S280-E282 PolarHBondContact OG-OE2 3.46Å; E282-I284 VanDerWaalsContact C-N 3.34Å; E282-L285 PolarHBondContact O-N 2.94Å; E282-Q286 VanDerWaalsContact O-CG 3.27Å; E282-Q286 WeakPolarHBondContact O-CG 3.38Å; E282-Q286 PolarHBondContact O-N 2.63Å; E282-Q286 VanDerWaalsContact O-N 3.08Å
283Q98.6Very high95.7Very high111 Ų11164.1 Ų64.152%0.51936%0.357SS..Hα-helixtrans-66.6-35.8176.4-70.2175.9-4100111.8P279 S280 Q286 H287P279-Q283 HydrophobicContact CB-CB 3.82Å; S280-Q283 WeakPolarHBondContact O-CB 3.5Å; S280-Q283 PolarHBondContact O-N 3.49Å; S280-Q283 VanDerWaalsContact O-N 3.11Å; S280-Q283 PolarHBondContact OG-N 3.27Å; Q283-Q286 PolarHBondContact O-N 3.35Å; Q283-H287 PolarHBondContact O-N 3.01Å; Q283-H287 VanDerWaalsContact O-N 3.07Å
284I98.8Very high93.8Very high2 Ų263.4 Ų63.41%0.0136%0.362CS..Hα-helixtrans-61-50.4172.4-65.9168.4000110I152 V225 L228 L266 P279 S280 L281 E282 Q286 H287 M290I152-I284 HydrophobicContact CD1-CB 4.23Å; I152-I284 HydrophobicContact CD1-CG2 3.41Å; I152-I284 VanDerWaalsContact CD1-CG2 3.41Å; V225-I284 HydrophobicContact CG1-CD1 4.07Å; V225-I284 HydrophobicContact CG2-CD1 4.35Å; L228-I284 HydrophobicContact CD1-CD1 4.46Å; L266-I284 HydrophobicContact CD1-CB 4.44Å; L266-I284 HydrophobicContact CD1-CG1 4.24Å; L266-I284 HydrophobicContact CD1-CG2 4.03Å; L266-I284 HydrophobicContact CD2-CG2 4.24Å; P279-I284 HydrophobicContact CB-CG1 4.07Å; P279-I284 HydrophobicContact CG-CD1 4.24Å; P279-I284 HydrophobicContact CG-CG1 3.65Å; S280-I284 WeakPolarHBondContact O-CG1 3.4Å; S280-I284 PolarHBondContact O-N 3.3Å; L281-I284 HydrophobicContact CD2-CD1 4.28Å; L281-I284 PolarHBondContact O-N 3.24Å; E282-I284 VanDerWaalsContact C-N 3.34Å; I284-Q286 PolarHBondContact O-N 2.77Å; I284-H287 WeakPolarHBondContact O-CB 3.3Å; I284-H287 PolarHBondContact O-N 3.48Å; I284-M290 HydrophobicContact CG2-CG 4.49Å; I284-M290 WeakPolarHBondContact O-CG 3.21Å
285L98.1Very high91.6Very high42 Ų4264.8 Ų64.822%0.2237%0.373CS..Hα-helixtrans-61.6-25.5179.7-70.2172.9000113.4K149 I152 L281 E282 M290K149-L285 HydrophobicContact CG-CD2 4.13Å; I152-L285 HydrophobicContact CB-CD2 4.27Å; I152-L285 HydrophobicContact CD1-CD2 4.12Å; I152-L285 HydrophobicContact CD1-CG 4.49Å; I152-L285 HydrophobicContact CG2-CD1 3.87Å; I152-L285 HydrophobicContact CG2-CD2 4.02Å; I152-L285 HydrophobicContact CG2-CG 3.86Å; L281-L285 WeakPolarHBondContact O-CG 3.19Å; L281-L285 PolarHBondContact O-N 2.73Å; L281-L285 VanDerWaalsContact O-N 3.09Å; E282-L285 PolarHBondContact O-N 2.94Å; L285-M290 HydrophobicContact CD2-CE 4.03Å; L285-M290 WeakPolarHBondContact O-CB 3.46Å
286Q97.9Very high89.3Confident138 Ų13868.2 Ų68.265%0.64539%0.389SS*.THydrogen-bonded Turntrans-91.4-5176.8-68.2170.27.900113.6E282 Q283 I284E282-Q286 VanDerWaalsContact O-CG 3.27Å; E282-Q286 WeakPolarHBondContact O-CG 3.38Å; E282-Q286 PolarHBondContact O-N 2.63Å; E282-Q286 VanDerWaalsContact O-N 3.08Å; Q283-Q286 PolarHBondContact O-N 3.35Å; I284-Q286 PolarHBondContact O-N 2.77Å
287H98.5Very high86.9Confident28 Ų2870.4 Ų70.413%0.1338%0.383CS..SBendtrans-60.5142.3-179.9-172-84.9000110.3D262 L266 Q283 I284 W289 M290 M291D262-H287 PolarHBondContact O-CE1 3.21Å; L266-H287 HydrophobicContact CD1-CB 4.02Å; L266-H287 HydrophobicContact CD2-CB 4.47Å; Q283-H287 PolarHBondContact O-N 3.01Å; Q283-H287 VanDerWaalsContact O-N 3.07Å; I284-H287 WeakPolarHBondContact O-CB 3.3Å; I284-H287 PolarHBondContact O-N 3.48Å; H287-W289 WeakPolarHBondContact ND1-CB 3.28Å; H287-W289 PolarHBondContact ND1-N 3.3Å; H287-W289 VanDerWaalsContact ND1-N 3.14Å; H287-W289 PolarHBondContact O-N 3.17Å; H287-W289 VanDerWaalsContact O-N 3.1Å; H287-M290 WeakPolarHBondContact O-CA 3.49Å; H287-M290 WeakPolarHBondContact O-CB 3.48Å; H287-M290 PolarHBondContact O-N 3.46Å; H287-M291 PolarHBondContact O-N 2.88Å
288P97.6Very high84.6Confident79 Ų7967.6 Ų67.651%0.51338%0.379SS..Hα-helixtrans-48.1-43.6-179.9-31.636000113.7M290 M291 E292P288-M290 VanDerWaalsContact C-N 3.29Å; P288-M290 PolarHBondContact O-N 2.89Å; P288-M291 PolarHBondContact O-N 2.96Å; P288-M291 VanDerWaalsContact O-N 3.14Å; P288-E292 PolarHBondContact O-N 3.17Å
289W98.1Very high82.5Confident0 Ų071.4 Ų71.40%040%0.401CS..Hα-helixtrans-55.8-37.7174.9-170.271.1000114E141 A144 R145 L148 L232 D262 C263 L266 H287E141-W289 HydrophobicContact CB-CZ2 3.95Å; E141-W289 HydrophobicContact CG-CZ2 4.28Å; E141-W289 WeakPolarHBondContact O-CZ2 3.49Å; E141-W289 PolarHBondContact OE2-NE1 2.89Å; A144-W289 HydrophobicContact CB-CH2 4.3Å; R145-W289 VanDerWaalsContact CA-CH2 3.46Å; R145-W289 HydrophobicContact CB-CH2 3.62Å; R145-W289 HydrophobicContact CB-CZ2 4.02Å; R145-W289 HydrophobicContact CB-CZ3 3.9Å; R145-W289 HydrophobicContact CG-CE3 4.48Å; R145-W289 HydrophobicContact CG-CH2 4.39Å; R145-W289 HydrophobicContact CG-CZ3 4.19Å; R145-W289 PolarHBondContact NE-O 3.42Å; R145-W289 PolarHBondContact NH2-O 2.95Å; L148-W289 HydrophobicContact CD2-CZ3 3.91Å; L232-W289 HydrophobicContact CD1-CH2 3.39Å; L232-W289 HydrophobicContact CD1-CZ2 4.15Å; L232-W289 HydrophobicContact CD1-CZ3 3.78Å; L232-W289 HydrophobicContact CD2-CE3 4.47Å; L232-W289 HydrophobicContact CD2-CH2 4.43Å; L232-W289 HydrophobicContact CD2-CZ3 4.08Å; D262-W289 HydrophobicContact CB-CB 3.81Å; D262-W289 HydrophobicContact CB-CG 4.39Å; C263-W289 HydrophobicContact CB-CD2 4.37Å; C263-W289 HydrophobicContact CB-CG 4.2Å; C263-W289 HydrophobicContact CB-CZ2 4.49Å; C263-W289 VanDerWaalsContact N-CD1 3.3Å; L266-W289 HydrophobicContact CD2-CD2 4.39Å; L266-W289 HydrophobicContact CD2-CE3 3.56Å; L266-W289 HydrophobicContact CD2-CZ3 4.18Å; H287-W289 WeakPolarHBondContact ND1-CB 3.28Å; H287-W289 PolarHBondContact ND1-N 3.3Å; H287-W289 VanDerWaalsContact ND1-N 3.14Å; H287-W289 PolarHBondContact O-N 3.17Å; H287-W289 VanDerWaalsContact O-N 3.1Å
290M97.4Very high80.8Confident20 Ų2071.5 Ų71.510%0.09940%0.4CS..Hα-helixtrans-79.5-24-179.8-69.3-60.9-74.200113.1R145 L148 K149 I152 L266 I284 L285 H287 P288R145-M290 HydrophobicContact CG-CE 4.35Å; R145-M290 HydrophobicContact CG-SD 3.85Å; L148-M290 HydrophobicContact CD2-CE 4.45Å; L148-M290 HydrophobicContact CD2-SD 3.95Å; K149-M290 HydrophobicContact CB-CE 3.75Å; K149-M290 HydrophobicContact CG-CE 4.42Å; I152-M290 HydrophobicContact CD1-CE 4.49Å; L266-M290 HydrophobicContact CD2-CG 4.09Å; L266-M290 HydrophobicContact CD2-SD 4.42Å; I284-M290 HydrophobicContact CG2-CG 4.49Å; I284-M290 WeakPolarHBondContact O-CG 3.21Å; L285-M290 HydrophobicContact CD2-CE 4.03Å; L285-M290 WeakPolarHBondContact O-CB 3.46Å; H287-M290 WeakPolarHBondContact O-CA 3.49Å; H287-M290 WeakPolarHBondContact O-CB 3.48Å; H287-M290 PolarHBondContact O-N 3.46Å; P288-M290 VanDerWaalsContact C-N 3.29Å; P288-M290 PolarHBondContact O-N 2.89Å
291M92.6Very high78.5Confident133 Ų13374.6 Ų74.666%0.65541%0.409SS*.Hα-helixtrans-87.8-8-176.9-65.4-61.8-64.700113.4H287 P288 S293H287-M291 PolarHBondContact O-N 2.88Å; P288-M291 PolarHBondContact O-N 2.96Å; P288-M291 VanDerWaalsContact O-N 3.14Å; M291-S293 PolarHBondContact O-N 3.38Å
292E83.9Confident76Confident107 Ų10781.3 Ų81.350%0.544%0.441SS..SBendtrans-61.2129.8177.1-165.3173.2-152.400110.7R145 P288 S294R145-E292 IonicContact CZ-OE2 3.63Å; R145-E292 IonicContact NH1-OE2 2.73Å; R145-E292 IonicContact NH2-OE2 3.48Å; R145-E292 PolarHBondContact NH2-OE2 2.89Å; P288-E292 PolarHBondContact O-N 3.17Å; E292-S294 PolarHBondContact O-N 3.1Å
293S62.5Low73.4Confident114 Ų11482.9 Ų82.980%0.79745%0.448SS*.  trans-66105.1-176.9510000110.8M291 V295M291-S293 PolarHBondContact O-N 3.38Å; S293-V295 PolarHBondContact O-N 3.07Å
294S57.4Low70.6Confident66 Ų6682.1 Ų82.146%0.46246%0.455SS..  trans-70.312316953.40000109.5E292 D296E292-S294 PolarHBondContact O-N 3.1Å; S294-D296 PolarHBondContact O-N 3.24Å
295V52.7Low67.5Low115 Ų11590.9 Ų90.970%0.69749%0.493SS*.  trans-67.8103.4158.1-173.80000105.3S293 N297S293-V295 PolarHBondContact O-N 3.07Å; V295-N297 PolarHBondContact O-N 3.12Å
296D50.3Low64.7Low115 Ų11596.3 Ų96.362%0.61552%0.52SS*.  trans-71.983.4179-16525.1000108.1S294 G298S294-D296 PolarHBondContact O-N 3.24Å; D296-G298 PolarHBondContact O-N 2.99Å
297N49.1Very low61.7Low121 Ų12198.3 Ų98.365%0.64753%0.527SS*.  trans-73.480.6164.8-71.8-13.7000106V295 D299V295-N297 PolarHBondContact O-N 3.12Å; N297-D299 PolarHBondContact O-N 3.47Å
298G49.4Very low58.6Low45 Ų45103 Ų10346%0.46456%0.56SS.*  trans-51.5128.7174.600000109.4D296D296-G298 PolarHBondContact O-N 2.99Å
299D54Low55.9Low97 Ų97104.7 Ų104.752%0.51957%0.573SS.*  trans93.7109.9-176.1-52.5-30.9000115.4N297 Q301N297-D299 PolarHBondContact O-N 3.47Å; D299-Q301 PolarHBondContact O-N 3.36Å
300L63.5Low53.3Low21 Ų21116.5 Ų116.511%0.1164%0.635CS.*THydrogen-bonded Turntrans-63.1-0.8169.8-70.5173.8000113.4F132 L143 R178F132-L300 HydrophobicContact CE2-CD1 4.38Å; F132-L300 HydrophobicContact CZ-CD1 4.27Å; L143-L300 HydrophobicContact CD1-CD2 3.74Å; L143-L300 HydrophobicContact CD2-CD2 3.91Å; L143-L300 HydrophobicContact CG-CD2 4.49Å; R178-L300 PolarHBondContact O-N 3.19Å
301Q51.8Low51.1Low109 Ų109121.3 Ų121.351%0.50966%0.662SS.*THydrogen-bonded Turntrans-83.8-18.7-172.9-65.8-166.8-19.400114D299 E303 S304D299-Q301 PolarHBondContact O-N 3.36Å; Q301-E303 VanDerWaalsContact C-N 3.31Å; Q301-E303 PolarHBondContact O-N 3.43Å; Q301-S304 PolarHBondContact O-OG 2.95Å; Q301-S304 VanDerWaalsContact O-OG 3.06Å
302E44.6Very low48.9Very low151 Ų151120.7 Ų120.771%0.70666%0.663SS**G310 helixtrans-71.9-20-179.1-77.8-158.1142.400114.4S304E302-S304 PolarHBondContact O-N 3.24Å
303E45.5Very low47Very low126 Ų126121.4 Ų121.459%0.58967%0.672SS**G310 helixtrans-82-10.5-177.7-71.4179.5174.800114.2Q301 K305Q301-E303 VanDerWaalsContact C-N 3.31Å; Q301-E303 PolarHBondContact O-N 3.43Å; E303-K305 VanDerWaalsContact C-N 3.27Å; E303-K305 PolarHBondContact O-N 3.47Å
304S39.6Very low46.1Very low95 Ų95121.9 Ų121.966%0.66466%0.664SS**G310 helixtrans-79.46.7-176.366.80000115.7Q301 E302 I306Q301-S304 PolarHBondContact O-OG 2.95Å; Q301-S304 VanDerWaalsContact O-OG 3.06Å; E302-S304 PolarHBondContact O-N 3.24Å; S304-I306 PolarHBondContact O-N 3.47Å
305K33.4Very low45.3Very low187 Ų187125.4 Ų125.481%0.81368%0.677SS**  trans-81.155.2174.3-70.1-177.6-176.1166.90112.2E303 K307E303-K305 VanDerWaalsContact C-N 3.27Å; E303-K305 PolarHBondContact O-N 3.47Å; K305-K307 PolarHBondContact O-N 2.7Å
306I39.5Very low44.9Very low155 Ų155126.1 Ų126.180%0.79568%0.675SS**  trans-82.5113.4160.9-59.8179.1000106.7S304S304-I306 PolarHBondContact O-N 3.47Å
307K33.7Very low44.5Very low181 Ų181126.9 Ų126.979%0.78768%0.68SS**PPolyproline II helixtrans-54.1139.8178.2-71.2176.7176.4176.50110.2K305 S309K305-K307 PolarHBondContact O-N 2.7Å; K307-S309 PolarHBondContact O-N 2.86Å; K307-S309 VanDerWaalsContact O-N 3.09Å
308P34.4Very low44.1Very low125 Ų125127.3 Ų127.381%0.81268%0.682SS**PPolyproline II helixtrans-63.3116.7166.526.7-30.7000108L310P308-L310 PolarHBondContact O-N 2.82Å
309S40.8Very low43.7Very low115 Ų115134.2 Ų134.280%0.80470%0.7SS**PPolyproline II helixtrans-65.3120.2162.342.40000108K307K307-S309 PolarHBondContact O-N 2.86Å; K307-S309 VanDerWaalsContact O-N 3.09Å
310L43.4Very low42.7Very low248 Ų248137.5 Ų137.5100%1.29872%0.717SS**  trans-54.40164.7-75.8158.9000111.5P308P308-L310 PolarHBondContact O-N 2.82Å

Retrieved 310 of 310 residues in 76.6 ms (Link to these results)

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