C7DPD5_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession C7DPD5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 350 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
1M38.5Very low39.9Very low254 Ų254131.5 Ų131.5100%1.25177%0.771SS**  090.90-67.7178.3-169.400107.9
2G33.5Very low41.6Very low77 Ų77129.4 Ų129.479%0.79476%0.764SS**  trans-127.6104.6174.600000107A4G2-A4 PolarHBondContact O-N 3.16Å; G2-A4 VanDerWaalsContact O-N 3.08Å
3N32.6Very low43.2Very low165 Ų165124 Ų12488%0.88274%0.743SS**  trans-58.1110.9176-93-18000108.7Q5N3-Q5 VanDerWaalsContact C-N 3.35Å; N3-Q5 PolarHBondContact O-N 2.96Å
4A34.7Very low45.7Very low97 Ų97121.4 Ų121.480%0.80272%0.724SS**  trans-60.4105155.800000106.2G2 A6G2-A4 PolarHBondContact O-N 3.16Å; G2-A4 VanDerWaalsContact O-N 3.08Å; A4-A6 PolarHBondContact O-N 2.97Å
5Q33.9Very low47.9Very low184 Ų184116.3 Ų116.386%0.8669%0.693SS**  trans-55.3106.6164.6-79175.5-10.200106.3N3 A7N3-Q5 VanDerWaalsContact C-N 3.35Å; N3-Q5 PolarHBondContact O-N 2.96Å; Q5-A7 PolarHBondContact O-N 3.03Å
6A36.4Very low50.1Low88 Ų88117.6 Ų117.673%0.72769%0.687SS**  trans-50.3115.4161.900000106.1A4 K8A4-A6 PolarHBondContact O-N 2.97Å; A6-K8 PolarHBondContact O-N 3.36Å
7A32.9Very low52.5Low100 Ų100114.4 Ų114.483%0.82668%0.677SS**  trans-47.2113.3176.800000107.5Q5 K9Q5-A7 PolarHBondContact O-N 3.03Å; A7-K9 PolarHBondContact O-N 3.38Å
8K38.8Very low54.6Low188 Ų188112.6 Ų112.682%0.81766%0.663SS**  trans-57.1130.2179.6-82.5178.9174.9177.20107.3A6 G10A6-K8 PolarHBondContact O-N 3.36Å; K8-G10 PolarHBondContact O-N 3.17Å
9K45.6Very low56.6Low188 Ų188107.9 Ų107.982%0.81764%0.635SS**SBendtrans-33124167.1-70.1178.6173.6-176.40109.5A7 D11A7-K9 PolarHBondContact O-N 3.38Å; K9-D11 PolarHBondContact O-N 3.48Å
10G53.4Low58.5Low28 Ų28107.1 Ų107.129%0.28962%0.624SS.*  trans-30.1112.2-165.700000113.7K8K8-G10 PolarHBondContact O-N 3.17Å
11D59.1Low60.3Low78 Ų78106.3 Ų106.342%0.41762%0.615SS.*  trans-59.6134.2-175.9-166.2-40.7000108.5K9 A13 D14 V15K9-D11 PolarHBondContact O-N 3.48Å; D11-A13 PolarHBondContact O-N 3.16Å; D11-A13 WeakPolarHBondContact OD1-CB 3.4Å; D11-A13 PolarHBondContact OD1-N 3.36Å; D11-D14 WeakPolarHBondContact O-CA 3.31Å; D11-D14 WeakPolarHBondContact O-CB 3.42Å; D11-D14 PolarHBondContact O-N 3.47Å; D11-V15 PolarHBondContact O-N 3.48Å
12P59.8Low62.9Low106 Ų10695.1 Ų95.169%0.68856%0.563SS**Hα-helixtrans-47.3-30171-3034.8000114D14 K16P12-D14 VanDerWaalsContact C-N 3.34Å; P12-K16 PolarHBondContact O-N 3.42Å; P12-K16 VanDerWaalsContact O-N 3.13Å
13A62.9Low66Low59 Ų5994 Ų9449%0.48854%0.536SS..Hα-helixtrans-61.4-40.317300000112.7D11 K16 A17D11-A13 PolarHBondContact O-N 3.16Å; D11-A13 WeakPolarHBondContact OD1-CB 3.4Å; D11-A13 PolarHBondContact OD1-N 3.36Å; A13-K16 PolarHBondContact O-N 3.42Å; A13-A17 PolarHBondContact O-N 2.9Å
14D77.4Confident69Low88 Ų8891.3 Ų91.347%0.47152%0.517SS..Hα-helixtrans-68.9-42-179.8-61.4-28.2000111.1D11 P12 K16 A17 L18D11-D14 WeakPolarHBondContact O-CA 3.31Å; D11-D14 WeakPolarHBondContact O-CB 3.42Å; D11-D14 PolarHBondContact O-N 3.47Å; P12-D14 VanDerWaalsContact C-N 3.34Å; D14-K16 VanDerWaalsContact C-N 3.34Å; D14-K16 PolarHBondContact O-N 2.94Å; D14-A17 PolarHBondContact O-N 3.36Å; D14-L18 WeakPolarHBondContact O-CB 3.28Å; D14-L18 VanDerWaalsContact O-CG 3.27Å; D14-L18 WeakPolarHBondContact O-CG 3.47Å; D14-L18 PolarHBondContact O-N 3.01Å
15V79.6Confident71.9Confident44 Ų4490.6 Ų90.627%0.26750%0.497SS..Hα-helixtrans-63.1-42.9177.1179.60000110.8D11 L18 L19D11-V15 PolarHBondContact O-N 3.48Å; V15-L18 PolarHBondContact O-N 3.14Å; V15-L19 HydrophobicContact CG1-CD1 4.2Å; V15-L19 WeakPolarHBondContact O-CG 3.43Å; V15-L19 PolarHBondContact O-N 3Å
16K83.7Confident75Confident138 Ų13882 Ų8260%0.646%0.456SS*.Hα-helixtrans-62.8-45.4176.8-172.7179.5177.6-174.90111.3P12 A13 D14 L18 L19 E20P12-K16 PolarHBondContact O-N 3.42Å; P12-K16 VanDerWaalsContact O-N 3.13Å; A13-K16 PolarHBondContact O-N 3.42Å; D14-K16 VanDerWaalsContact C-N 3.34Å; D14-K16 PolarHBondContact O-N 2.94Å; K16-L18 VanDerWaalsContact C-N 3.34Å; K16-L18 PolarHBondContact O-N 2.84Å; K16-L19 PolarHBondContact O-N 2.98Å; K16-E20 WeakPolarHBondContact O-CG 3.27Å; K16-E20 PolarHBondContact O-N 3.01Å
17A90.1Very high77.9Confident62 Ų6280.1 Ų80.151%0.51243%0.434SS..Hα-helixtrans-60.5-42.9177.700000112.1A13 D14 L19 E20 E21A13-A17 PolarHBondContact O-N 2.9Å; D14-A17 PolarHBondContact O-N 3.36Å; A17-L19 PolarHBondContact O-N 3.25Å; A17-E20 PolarHBondContact O-N 2.97Å; A17-E21 PolarHBondContact O-N 3.38Å
18L90.1Very high80.9Confident82 Ų8280.7 Ų80.743%0.42942%0.42SS..Hα-helixtrans-60.1-43175.4-73.9166.6000112.3D14 V15 K16 A22 F306D14-L18 WeakPolarHBondContact O-CB 3.28Å; D14-L18 VanDerWaalsContact O-CG 3.27Å; D14-L18 WeakPolarHBondContact O-CG 3.47Å; D14-L18 PolarHBondContact O-N 3.01Å; V15-L18 PolarHBondContact O-N 3.14Å; K16-L18 VanDerWaalsContact C-N 3.34Å; K16-L18 PolarHBondContact O-N 2.84Å; L18-A22 VanDerWaalsContact O-CB 3.29Å; L18-A22 WeakPolarHBondContact O-CB 3.16Å; L18-A22 PolarHBondContact O-N 3.37Å; L18-F306 HydrophobicContact CD1-CE1 4.46Å
19L92.9Very high83.7Confident24 Ų2475.9 Ų75.913%0.12640%0.399CS..Hα-helixtrans-68.1-37.6178.4-72174.5000112.7V15 K16 A17 K23 E155 H159V15-L19 HydrophobicContact CG1-CD1 4.2Å; V15-L19 WeakPolarHBondContact O-CG 3.43Å; V15-L19 PolarHBondContact O-N 3Å; K16-L19 PolarHBondContact O-N 2.98Å; A17-L19 PolarHBondContact O-N 3.25Å; L19-K23 WeakPolarHBondContact O-CB 3.5Å; L19-K23 PolarHBondContact O-N 2.83Å; L19-E155 HydrophobicContact CD1-CG 4.11Å; L19-H159 HydrophobicContact CD2-CB 4.37Å; L19-H159 PolarHBondContact O-CD2 2.74Å; L19-H159 PolarHBondContact O-NE2 3.29Å
20E95.3Very high86.1Confident91 Ų9168.4 Ų68.443%0.42537%0.365SS..Hα-helixtrans-69.1-40177.2-66.4-61.7156.600112K16 A17 K23 K24 H159K16-E20 WeakPolarHBondContact O-CG 3.27Å; K16-E20 PolarHBondContact O-N 3.01Å; A17-E20 PolarHBondContact O-N 2.97Å; E20-K23 WeakPolarHBondContact O-CB 3.49Å; E20-K23 PolarHBondContact O-N 3.05Å; E20-K24 PolarHBondContact O-N 3.48Å; E20-H159 IonicContact OE1-CE1 2.81Å; E20-H159 PolarHBondContact OE1-CE1 2.83Å; E20-H159 VanDerWaalsContact OE1-CE1 3.25Å; E20-H159 IonicContact OE1-NE2 3.81Å; E20-H159 IonicContact OE2-NE2 3.71Å
21E94.8Very high88.1Confident91 Ų9173.5 Ų73.543%0.42538%0.382SS..Hα-helixtrans-65.6-45.1174.6-169.961-149.900110.9A17 K23 K24 E25A17-E21 PolarHBondContact O-N 3.38Å; E21-K23 PolarHBondContact O-N 3.39Å; E21-K24 WeakPolarHBondContact O-CB 3.42Å; E21-K24 PolarHBondContact O-N 3.41Å; E21-K24 IonicContact OE1-NZ 2.72Å; E21-E25 PolarHBondContact O-N 3.26Å
22A94.8Very high89.7Confident19 Ų1978 Ų7816%0.15740%0.398CS..Hα-helixtrans-54.8-37.7172.900000112.6L18 F26 Y156L18-A22 VanDerWaalsContact O-CB 3.29Å; L18-A22 WeakPolarHBondContact O-CB 3.16Å; L18-A22 PolarHBondContact O-N 3.37Å; A22-F26 VanDerWaalsContact O-CB 3.28Å; A22-F26 WeakPolarHBondContact O-CB 3.37Å; A22-F26 PolarHBondContact O-N 3.35Å; A22-Y156 HydrophobicContact CB-CD2 4.18Å; A22-Y156 HydrophobicContact CB-CE2 3.74Å
23K96.6Very high91.2Very high55 Ų5575.3 Ų75.324%0.23938%0.38CS..Hα-helixtrans-68.2-40176.6-173171.6-177.2168.10112.9L19 E20 E21 F26 L27 L160L19-K23 WeakPolarHBondContact O-CB 3.5Å; L19-K23 PolarHBondContact O-N 2.83Å; E20-K23 WeakPolarHBondContact O-CB 3.49Å; E20-K23 PolarHBondContact O-N 3.05Å; E21-K23 PolarHBondContact O-N 3.39Å; K23-F26 PolarHBondContact O-N 3.46Å; K23-L27 HydrophobicContact CG-CD1 4.33Å; K23-L27 VanDerWaalsContact O-CG 3.28Å; K23-L27 WeakPolarHBondContact O-CG 3.39Å; K23-L27 PolarHBondContact O-N 3.22Å; K23-L160 HydrophobicContact CB-CD2 3.72Å; K23-L160 HydrophobicContact CG-CD2 3.91Å
24K96.8Very high92.6Very high107 Ų10774.8 Ų74.847%0.46538%0.376SS..Hα-helixtrans-62.9-50.1175-178.1-174.5160.7-146.90110.9E20 E21 F26 L27 E28E20-K24 PolarHBondContact O-N 3.48Å; E21-K24 WeakPolarHBondContact O-CB 3.42Å; E21-K24 PolarHBondContact O-N 3.41Å; E21-K24 IonicContact OE1-NZ 2.72Å; K24-F26 VanDerWaalsContact C-N 3.3Å; K24-F26 PolarHBondContact O-N 3.04Å; K24-L27 PolarHBondContact O-N 3.03Å; K24-L27 VanDerWaalsContact O-N 3.16Å; K24-E28 WeakPolarHBondContact CE-OE1 3.45Å; K24-E28 WeakPolarHBondContact O-CG 3.47Å; K24-E28 PolarHBondContact O-N 3.34Å
25E96.3Very high93.2Very high83 Ų8375.4 Ų75.439%0.38838%0.376SS..Hα-helixtrans-58.1-42.5176.3-69.4-174.9-176.400112.1E21 E28 K29E21-E25 PolarHBondContact O-N 3.26Å; E25-E28 PolarHBondContact O-N 3.24Å; E25-K29 WeakPolarHBondContact O-CG 3.42Å; E25-K29 PolarHBondContact O-N 2.95Å
26F97.5Very high93.8Very high2 Ų277.3 Ų77.31%0.00939%0.385CS..Hα-helixtrans-59.8-47.8175.5168-99.5000111.9A22 K23 K24 E28 K29 W30 A97 I98 L160 L162A22-F26 VanDerWaalsContact O-CB 3.28Å; A22-F26 WeakPolarHBondContact O-CB 3.37Å; A22-F26 PolarHBondContact O-N 3.35Å; K23-F26 PolarHBondContact O-N 3.46Å; K24-F26 VanDerWaalsContact C-N 3.3Å; K24-F26 PolarHBondContact O-N 3.04Å; F26-E28 PolarHBondContact O-N 3Å; F26-K29 PolarHBondContact O-N 2.95Å; F26-W30 HydrophobicContact CE1-CB 4.35Å; F26-W30 HydrophobicContact CE1-CG 4.4Å; F26-W30 HydrophobicContact CE2-CD2 4.46Å; F26-W30 AromaticContact CE2-CE3 3.85Å; F26-W30 HydrophobicContact CE2-CE3 3.85Å; F26-W30 HydrophobicContact CZ-CB 4.28Å; F26-W30 AromaticContact CZ-CD2 3.91Å; F26-W30 HydrophobicContact CZ-CD2 3.91Å; F26-W30 AromaticContact CZ-CE3 3.64Å; F26-W30 HydrophobicContact CZ-CE3 3.64Å; F26-W30 HydrophobicContact CZ-CG 4.2Å; F26-W30 HydrophobicContact CZ-CZ3 4.32Å; F26-W30 WeakPolarHBondContact O-CB 3.45Å; F26-W30 PolarHBondContact O-N 2.88Å; F26-A97 WeakPolarHBondContact CA-O 3.43Å; F26-A97 HydrophobicContact CD2-CB 3.6Å; F26-A97 WeakPolarHBondContact CD2-O 3.35Å; F26-A97 HydrophobicContact CE2-CB 3.67Å; F26-I98 HydrophobicContact CD2-CG2 4.09Å; F26-I98 HydrophobicContact CE2-CG2 4.19Å; F26-L160 HydrophobicContact CB-CD1 3.92Å; F26-L160 HydrophobicContact CB-CD2 3.82Å; F26-L160 HydrophobicContact CB-CG 4.46Å; F26-L160 HydrophobicContact CD1-CB 4.17Å; F26-L160 HydrophobicContact CD1-CD1 4.33Å; F26-L160 HydrophobicContact CD1-CD2 4Å; F26-L160 HydrophobicContact CD1-CG 4.4Å; F26-L160 HydrophobicContact CD2-CD1 3.8Å; F26-L160 HydrophobicContact CE1-CB 4.25Å; F26-L160 HydrophobicContact CE2-CD1 4.43Å; F26-L160 HydrophobicContact CG-CB 4.4Å; F26-L160 HydrophobicContact CG-CD1 3.75Å; F26-L160 HydrophobicContact CG-CD2 3.97Å; F26-L160 HydrophobicContact CG-CG 4.26Å; F26-L162 HydrophobicContact CE2-CD1 3.87Å; F26-L162 HydrophobicContact CZ-CD1 4.15Å; F26-L162 HydrophobicContact CZ-CD2 4.26Å; F26-L162 HydrophobicContact CZ-CG 4.33Å
27L97.1Very high94.5Very high49 Ų4973.6 Ų73.626%0.25737%0.374SS..Hα-helixtrans-63.5-41.2-179-72.1173000111.8K23 K24 K29 W30 E31K23-L27 HydrophobicContact CG-CD1 4.33Å; K23-L27 VanDerWaalsContact O-CG 3.28Å; K23-L27 WeakPolarHBondContact O-CG 3.39Å; K23-L27 PolarHBondContact O-N 3.22Å; K24-L27 PolarHBondContact O-N 3.03Å; K24-L27 VanDerWaalsContact O-N 3.16Å; L27-K29 PolarHBondContact O-N 3.03Å; L27-W30 PolarHBondContact O-N 3.06Å; L27-E31 WeakPolarHBondContact O-CB 3.28Å; L27-E31 WeakPolarHBondContact O-CG 3.24Å; L27-E31 PolarHBondContact O-N 2.77Å
28E96.7Very high94.8Very high113 Ų11371.4 Ų71.453%0.52836%0.355SS..Hα-helixtrans-58.7-48176.7-71.9177.6-173.600111.7K24 E25 F26 K32K24-E28 WeakPolarHBondContact CE-OE1 3.45Å; K24-E28 WeakPolarHBondContact O-CG 3.47Å; K24-E28 PolarHBondContact O-N 3.34Å; E25-E28 PolarHBondContact O-N 3.24Å; F26-E28 PolarHBondContact O-N 3Å; E28-K32 PolarHBondContact O-N 3.21Å; E28-K32 VanDerWaalsContact O-N 3.16Å
29K96.6Very high95.2Very high87 Ų8771.3 Ų71.338%0.37836%0.358SS..Hα-helixtrans-70.7-31.5177.1-66.5175.9-177.8172.30113E25 F26 L27 K32 A97E25-K29 WeakPolarHBondContact O-CG 3.42Å; E25-K29 PolarHBondContact O-N 2.95Å; F26-K29 PolarHBondContact O-N 2.95Å; L27-K29 PolarHBondContact O-N 3.03Å; K29-K32 CarbonylContact O-C 3.54Å; K29-A97 HydrophobicContact CB-CB 3.94Å
30W96Very high95.4Very high31 Ų3171 Ų7112%0.11736%0.357CS..Hα-helixtrans-71.5-37.8179.8-178.8-91.3000112.9F26 L27 R93 I94 A97 R190F26-W30 HydrophobicContact CE1-CB 4.35Å; F26-W30 HydrophobicContact CE1-CG 4.4Å; F26-W30 HydrophobicContact CE2-CD2 4.46Å; F26-W30 AromaticContact CE2-CE3 3.85Å; F26-W30 HydrophobicContact CE2-CE3 3.85Å; F26-W30 HydrophobicContact CZ-CB 4.28Å; F26-W30 AromaticContact CZ-CD2 3.91Å; F26-W30 HydrophobicContact CZ-CD2 3.91Å; F26-W30 AromaticContact CZ-CE3 3.64Å; F26-W30 HydrophobicContact CZ-CE3 3.64Å; F26-W30 HydrophobicContact CZ-CG 4.2Å; F26-W30 HydrophobicContact CZ-CZ3 4.32Å; F26-W30 WeakPolarHBondContact O-CB 3.45Å; F26-W30 PolarHBondContact O-N 2.88Å; L27-W30 PolarHBondContact O-N 3.06Å; W30-R93 HydrophobicContact CD2-CG 4.33Å; W30-R93 HydrophobicContact CE3-CG 3.82Å; W30-R93 HydrophobicContact CH2-CB 4.35Å; W30-R93 HydrophobicContact CH2-CG 3.89Å; W30-R93 HydrophobicContact CZ2-CG 4.38Å; W30-R93 HydrophobicContact CZ3-CB 4.06Å; W30-R93 HydrophobicContact CZ3-CG 3.58Å; W30-R93 PolarHBondContact O-NE 3.32Å; W30-R93 PolarHBondContact O-NH2 2.94Å; W30-I94 HydrophobicContact CH2-CG1 4.08Å; W30-I94 HydrophobicContact CZ3-CB 4.43Å; W30-I94 HydrophobicContact CZ3-CG1 3.62Å; W30-A97 HydrophobicContact CB-CB 4.32Å; W30-A97 HydrophobicContact CE3-CB 4.23Å; W30-R190 VanDerWaalsContact CD1-NH1 3.26Å; W30-R190 HydrophobicContact CH2-CB 4.4Å; W30-R190 HydrophobicContact CZ2-CB 4.4Å
31E95.3Very high95.4Very high134 Ų13472.7 Ų72.763%0.62637%0.369SS*.Hα-helixtrans-81.4-31.3179.8-70.8178.5-179.600112.5L27 P33L27-E31 WeakPolarHBondContact O-CB 3.28Å; L27-E31 WeakPolarHBondContact O-CG 3.24Å; L27-E31 PolarHBondContact O-N 2.77Å; E31-P33 VanDerWaalsContact C-CD 3.45Å; E31-P33 VanDerWaalsContact O-CD 3.31Å; E31-P33 WeakPolarHBondContact O-CD 3.5Å
32K94Very high95.6Very high173 Ų17370.1 Ų70.175%0.75236%0.36SS*.SBendtrans-120.671.1179-63176.7-174.2170.80110.5E28 K29 A34E28-K32 PolarHBondContact O-N 3.21Å; E28-K32 VanDerWaalsContact O-N 3.16Å; K29-K32 CarbonylContact O-C 3.54Å; K32-A34 PolarHBondContact O-N 3.25Å
33P90.8Very high95.8Very high50 Ų5069.4 Ų69.433%0.32535%0.354SS..  trans-62.6130.4-178.528.3-35.9000110.3E31E31-P33 VanDerWaalsContact C-CD 3.45Å; E31-P33 VanDerWaalsContact O-CD 3.31Å; E31-P33 WeakPolarHBondContact O-CD 3.5Å
34A92.4Very high95.8Very high48 Ų4870 Ų7040%0.39736%0.36SS..  trans-64.8153.3168.900000109.4K32 T37 K92 Q96 H109K32-A34 PolarHBondContact O-N 3.25Å; A34-T37 HydrophobicContact CB-CG2 3.83Å; A34-K92 PolarHBondContact O-NZ 3.46Å; A34-Q96 PolarHBondContact O-OE1 2.82Å; A34-H109 VanDerWaalsContact C-CE1 3.44Å; A34-H109 PolarHBondContact O-CE1 3.31Å
35Q89.6Confident95.8Very high100 Ų10070.7 Ų70.747%0.46736%0.359SS..  trans-134.1144.1175.4-68.9-170-26.200109.7T37Q35-T37 PolarHBondContact O-N 2.96Å
36N93.2Very high95.8Very high85 Ų8570.7 Ų70.746%0.45536%0.361SS..  trans46.161.5175.1-60.5-45000114A38 H109N36-A38 VanDerWaalsContact C-N 3.27Å; N36-A38 PolarHBondContact O-N 2.95Å; N36-H109 WeakPolarHBondContact CA-O 3.31Å
37T97.1Very high95.7Very high60 Ų6072.5 Ų72.537%0.36837%0.369SS..  trans-81.6-5.6-175.754.60000113.9A34 Q35 Y108 H109A34-T37 HydrophobicContact CB-CG2 3.83Å; Q35-T37 PolarHBondContact O-N 2.96Å; T37-Y108 VanDerWaalsContact OG1-CA 3.29Å; T37-Y108 WeakPolarHBondContact OG1-CA 3.34Å; T37-H109 PolarHBondContact N-O 3.37Å; T37-H109 PolarHBondContact OG1-N 3.01Å; T37-H109 PolarHBondContact OG1-O 3.15Å
38A97.7Very high95.7Very high15 Ų1570.2 Ų70.212%0.12436%0.357CS..  trans-156.8-175.6173.400000110.7N36 F43 Y108 F110N36-A38 VanDerWaalsContact C-N 3.27Å; N36-A38 PolarHBondContact O-N 2.95Å; A38-F43 HydrophobicContact CB-CE2 3.81Å; A38-F43 HydrophobicContact CB-CZ 4.13Å; A38-Y108 HydrophobicContact CB-CD1 3.81Å; A38-Y108 HydrophobicContact CB-CG 4Å; A38-F110 HydrophobicContact CB-CD1 3.88Å; A38-F110 HydrophobicContact CB-CE1 4.05Å; A38-F110 WeakPolarHBondContact O-CB 3.49Å; A38-F110 WeakPolarHBondContact O-CD1 3.13Å; A38-F110 VanDerWaalsContact O-CG 3.27Å; A38-F110 WeakPolarHBondContact O-CG 3.48Å
39T97.1Very high95.5Very high80 Ų8065.3 Ų65.349%0.49133%0.334SS..  trans-131.9160.5170.463.70000110.3D41 S42 F43T39-D41 PolarHBondContact O-N 3.25Å; T39-S42 VanDerWaalsContact O-CB 3.24Å; T39-S42 WeakPolarHBondContact O-CB 3.37Å; T39-S42 PolarHBondContact O-N 3.13Å; T39-S42 PolarHBondContact O-OG 3.24Å; T39-S42 PolarHBondContact OG1-OG 2.9Å; T39-F43 WeakPolarHBondContact O-CD2 3.29Å
40L97Very high95.3Very high18 Ų1861.9 Ų61.99%0.09432%0.323CS..G310 helixtrans-58-37.3179.5-174.263.2000112.4S42 F43 M71 F110 Y117 L335 I337L40-S42 PolarHBondContact O-N 3.25Å; L40-S42 VanDerWaalsContact O-N 3.13Å; L40-F43 PolarHBondContact O-N 3.11Å; L40-F43 VanDerWaalsContact O-N 3.15Å; L40-M71 HydrophobicContact CD1-CE 4.23Å; L40-M71 HydrophobicContact CD1-SD 3.83Å; L40-F110 HydrophobicContact CB-CE2 3.9Å; L40-F110 HydrophobicContact CB-CZ 4.33Å; L40-Y117 HydrophobicContact CD1-CD1 4.21Å; L40-Y117 HydrophobicContact CD1-CE1 3.69Å; L40-Y117 HydrophobicContact CD2-CE1 4.48Å; L40-L335 HydrophobicContact CD1-CD2 4.1Å; L40-L335 HydrophobicContact CD2-CD2 3.64Å; L40-I337 HydrophobicContact CD2-CD1 3.68Å
41D97.1Very high95.1Very high127 Ų12764.2 Ų64.268%0.67934%0.341SS*.G310 helixtrans-67-12.3-179.1-66.6-26000113.6T39 F43 K63T39-D41 PolarHBondContact O-N 3.25Å; D41-F43 PolarHBondContact O-N 3.07Å; D41-K63 VanDerWaalsContact O-CD 3.31Å; D41-K63 WeakPolarHBondContact O-CD 3.49Å; D41-K63 VanDerWaalsContact O-CE 3.3Å; D41-K63 WeakPolarHBondContact O-CE 3.21Å; D41-K63 PolarHBondContact O-NZ 3.02Å
42S97.8Very high94.6Very high36 Ų3660.3 Ų60.325%0.25234%0.337SS..G310 helixtrans-73.9-10.2175.4-54.10000112.8T39 L40 H62 K63T39-S42 VanDerWaalsContact O-CB 3.24Å; T39-S42 WeakPolarHBondContact O-CB 3.37Å; T39-S42 PolarHBondContact O-N 3.13Å; T39-S42 PolarHBondContact O-OG 3.24Å; T39-S42 PolarHBondContact OG1-OG 2.9Å; L40-S42 PolarHBondContact O-N 3.25Å; L40-S42 VanDerWaalsContact O-N 3.13Å; S42-H62 PolarHBondContact O-CD2 3.37Å; S42-H62 VanDerWaalsContact O-CD2 3.32Å; S42-K63 WeakPolarHBondContact O-CG 2.99Å; S42-K63 PolarHBondContact O-N 3.37Å
43F98.5Very high94Very high5 Ų556.4 Ų56.42%0.02233%0.332CS..EExtended strand (participates in β ladder)trans-127140.6-172.2-56.6-87.7000112.3A38 T39 L40 D41 V60 Q61 H62 Y69 M71 Y108 F110 V119A38-F43 HydrophobicContact CB-CE2 3.81Å; A38-F43 HydrophobicContact CB-CZ 4.13Å; T39-F43 WeakPolarHBondContact O-CD2 3.29Å; L40-F43 PolarHBondContact O-N 3.11Å; L40-F43 VanDerWaalsContact O-N 3.15Å; D41-F43 PolarHBondContact O-N 3.07Å; F43-V60 HydrophobicContact CB-CB 4.1Å; F43-V60 HydrophobicContact CB-CG2 4.23Å; F43-V60 HydrophobicContact CD1-CG2 3.8Å; F43-V60 HydrophobicContact CG-CG2 4.25Å; F43-Q61 CarbonylContact C-O 3.5Å; F43-Q61 WeakPolarHBondContact CA-O 3.42Å; F43-H62 HydrophobicContact CD1-CB 4.01Å; F43-H62 HydrophobicContact CE1-CB 3.9Å; F43-H62 AromaticContact CE1-CD2 3.7Å; F43-Y69 HydrophobicContact CE1-CD2 4.23Å; F43-M71 HydrophobicContact CB-CE 3.9Å; F43-M71 HydrophobicContact CD1-CE 4.32Å; F43-M71 HydrophobicContact CD2-CE 3.5Å; F43-M71 VanDerWaalsContact CD2-CE 3.5Å; F43-M71 HydrophobicContact CE2-CE 4.09Å; F43-M71 HydrophobicContact CG-CE 3.64Å; F43-Y108 HydrophobicContact CE1-CD2 4.22Å; F43-Y108 HydrophobicContact CE1-CE2 4.41Å; F43-Y108 AromaticContact CZ-CD2 3.78Å; F43-Y108 HydrophobicContact CZ-CD2 3.78Å; F43-Y108 HydrophobicContact CZ-CE2 4.26Å; F43-Y108 HydrophobicContact CZ-CG 4.06Å; F43-F110 HydrophobicContact CD2-CE1 4.5Å; F43-F110 HydrophobicContact CD2-CZ 4.5Å; F43-F110 AromaticContact CE2-CE1 3.93Å; F43-F110 HydrophobicContact CE2-CE1 3.93Å; F43-F110 HydrophobicContact CE2-CZ 4.37Å; F43-V119 HydrophobicContact CE1-CG1 3.86Å; F43-V119 HydrophobicContact CE2-CG2 4.26Å; F43-V119 HydrophobicContact CZ-CG1 4.03Å; F43-V119 HydrophobicContact CZ-CG2 4.11Å
44D97.9Very high93.9Very high68 Ų6855.9 Ų55.936%0.36432%0.324SS..EExtended strand (participates in β ladder)trans-91126.1165.9-67.5-43.3000109V60 Q61 K63D44-V60 CarbonylContact O-C 3.54Å; D44-V60 WeakPolarHBondContact O-CA 3.46Å; D44-V60 WeakPolarHBondContact O-CB 3.35Å; D44-Q61 PolarHBondContact N-O 3.22Å; D44-Q61 PolarHBondContact O-N 3.4Å; D44-K63 WeakPolarHBondContact OD1-CE 3.39Å; D44-K63 IonicContact OD1-NZ 3.55Å; D44-K63 WeakPolarHBondContact OD2-CG 3.2Å
45R96.4Very high93.7Very high121 Ų12154.7 Ų54.746%0.45732%0.317SS..EExtended strand (participates in β ladder)trans-84.5131.9177.9-62.8-176.3-63.4-93-0.3110M58 V60R45-M58 HydrophobicContact CB-CE 4.07Å; R45-V60 HydrophobicContact CG-CG1 4.19Å
46I96.2Very high94Very high82 Ų8251.2 Ų51.242%0.42130%0.299SS..EExtended strand (participates in β ladder)trans-113.8-62.5-170.7-58.9176.7000111.7L59 Q61 Y68I46-L59 HydrophobicContact CB-CB 4.4Å; I46-L59 HydrophobicContact CB-CD2 4.3Å; I46-L59 HydrophobicContact CB-CG 4.19Å; I46-L59 WeakPolarHBondContact CB-O 3.41Å; I46-L59 HydrophobicContact CD1-CD2 4.47Å; I46-L59 HydrophobicContact CD1-CG 4.3Å; I46-L59 HydrophobicContact CG2-CD2 4.07Å; I46-L59 PolarHBondContact N-O 2.77Å; I46-Q61 HydrophobicContact CD1-CB 3.86Å; I46-Y68 HydrophobicContact CD1-CD1 3.89Å; I46-Y68 HydrophobicContact CD1-CE1 3.51Å
47K95.7Very high94.1Very high41 Ų4149 Ų4918%0.17829%0.289CS..EExtended strand (participates in β ladder)trans-149.5143.8-173.1-178-177.6178.4-1770110.7L49 M58 L59 A324 D329 E332K47-L49 PolarHBondContact O-N 3.16Å; K47-M58 CarbonylContact O-C 3.59Å; K47-M58 VanDerWaalsContact O-CA 3.27Å; K47-M58 WeakPolarHBondContact O-CA 3.4Å; K47-L59 HydrophobicContact CB-CB 4.5Å; K47-L59 PolarHBondContact N-O 2.75Å; K47-L59 PolarHBondContact O-N 2.79Å; K47-A324 HydrophobicContact CD-CB 4.06Å; K47-D329 WeakPolarHBondContact CE-OD1 3.18Å; K47-D329 IonicContact NZ-OD1 2.74Å; K47-D329 PolarHBondContact NZ-OD1 3.13Å; K47-E332 WeakPolarHBondContact CA-OE1 3.1Å
48T96.2Very high94.1Very high0 Ų046.6 Ų46.60%027%0.274CS..EExtended strand (participates in β ladder)trans-73.9119.6167.4-61.60000110T51 R56 Y330 E332T48-T51 HydrophobicContact CG2-CG2 3.93Å; T48-R56 HydrophobicContact CG2-CB 4.46Å; T48-R56 PolarHBondContact OG1-NH1 3.41Å; T48-Y330 HydrophobicContact CG2-CD2 4.48Å; T48-Y330 HydrophobicContact CG2-CG 4.25Å; T48-E332 PolarHBondContact N-OE1 3.32Å; T48-E332 PolarHBondContact OG1-OE1 3.1Å; T48-E332 PolarHBondContact OG1-OE2 2.8Å
49L93.7Very high94.1Very high11 Ų1146 Ų466%0.05827%0.268CS..EExtended strand (participates in β ladder)trans-89.3-22.3179.4-63.7174.9000112.8K47 V57 L59 A70 F122 A324 F327 Y330K47-L49 PolarHBondContact O-N 3.16Å; L49-V57 HydrophobicContact CB-CG1 4.36Å; L49-V57 HydrophobicContact CD1-CG1 4.29Å; L49-V57 PolarHBondContact N-O 2.63Å; L49-L59 HydrophobicContact CD1-CB 4.01Å; L49-L59 HydrophobicContact CD2-CB 4.04Å; L49-L59 HydrophobicContact CG-CB 3.97Å; L49-A70 HydrophobicContact CD1-CB 4.16Å; L49-F122 HydrophobicContact CD1-CD2 3.82Å; L49-F122 HydrophobicContact CD1-CE2 3.6Å; L49-F122 HydrophobicContact CD2-CE2 4.04Å; L49-F122 HydrophobicContact CG-CE2 4.49Å; L49-A324 HydrophobicContact CD2-CB 3.75Å; L49-F327 HydrophobicContact CB-CD1 4.15Å; L49-F327 HydrophobicContact CD2-CB 4.15Å; L49-F327 HydrophobicContact CD2-CD1 4.2Å; L49-F327 HydrophobicContact CD2-CD2 3.94Å; L49-F327 HydrophobicContact CD2-CE2 4.39Å; L49-F327 HydrophobicContact CD2-CG 3.83Å; L49-Y330 VanDerWaalsContact O-CE2 3.32Å; L49-Y330 WeakPolarHBondContact O-CE2 3.39Å
50G91.7Very high94.2Very high14 Ų1442.2 Ų42.214%0.14425%0.245CC..EExtended strand (participates in β ladder)trans-176.8154.6-177.800000112.2R56 V57G50-R56 CarbonylContact O-C 3.42Å; G50-R56 WeakPolarHBondContact O-CA 3.46Å; G50-V57 PolarHBondContact N-O 3.26Å; G50-V57 PolarHBondContact O-N 3.07Å
51T91.4Very high94.2Very high80 Ų8043.1 Ų43.149%0.49125%0.249SC..EExtended strand (participates in β ladder)trans-122.9143.7176.560.70000110.4T48 R56 Y330T48-T51 HydrophobicContact CG2-CG2 3.93Å; T51-R56 HydrophobicContact CG2-CB 4.36Å; T51-Y330 HydrophobicContact CG2-CD1 3.94Å; T51-Y330 HydrophobicContact CG2-CG 4.33Å
52G84.4Confident94.3Very high53 Ų5338.5 Ų38.555%0.54622%0.223SC..  trans-130.7179.6178.400000111.5F54 G55G52-F54 VanDerWaalsContact C-N 3.29Å; G52-F54 PolarHBondContact O-N 2.83Å; G52-G55 PolarHBondContact N-O 2.94Å
53S81.8Confident94.3Very high91 Ų9140.7 Ų40.764%0.63623%0.228SC*.SBendtrans-64.3-27.3-173.551.40000114.8
54F88.5Confident94.3Very high38 Ų3846.4 Ų46.417%0.16726%0.263CS..SBendtrans-130.19.8-179.447.5-91.7000113.8G52 L74 D75 K78 V79 L82 Q84G52-F54 VanDerWaalsContact C-N 3.29Å; G52-F54 PolarHBondContact O-N 2.83Å; F54-L74 HydrophobicContact CD2-CB 4.44Å; F54-L74 HydrophobicContact CD2-CD1 4.4Å; F54-L74 HydrophobicContact CD2-CD2 3.7Å; F54-L74 HydrophobicContact CD2-CG 4.39Å; F54-L74 HydrophobicContact CE2-CD1 4.12Å; F54-L74 HydrophobicContact CE2-CD2 3.72Å; F54-L74 HydrophobicContact CE2-CG 4.45Å; F54-D75 PolarHBondContact O-N 2.9Å; F54-K78 HydrophobicContact CB-CB 4Å; F54-V79 HydrophobicContact CB-CG2 4.13Å; F54-V79 HydrophobicContact CD2-CG2 3.69Å; F54-V79 HydrophobicContact CE2-CG2 4.48Å; F54-V79 HydrophobicContact CG-CG2 4.14Å; F54-L82 HydrophobicContact CB-CD1 4.19Å; F54-L82 HydrophobicContact CD1-CD1 4.21Å; F54-Q84 HydrophobicContact CD1-CG 4.31Å; F54-Q84 HydrophobicContact CE1-CG 4.09Å
55G89.3Confident94.2Very high23 Ų2345.7 Ų45.724%0.23726%0.263CS..EExtended strand (participates in β ladder)trans-171.2-174.4-175.500000114.2G52 I73G52-G55 PolarHBondContact N-O 2.94Å; G55-I73 CarbonylContact C-O 3.6Å; G55-I73 WeakPolarHBondContact CA-O 3.35Å
56R94.7Very high94.3Very high27 Ų2745.4 Ų45.410%0.10227%0.265CS..EExtended strand (participates in β ladder)trans-141.5158.4175.153.9168.646.3-155.4-16.2110.4T48 G50 T51 M58 K72 I73 E331 E332 E333T48-R56 HydrophobicContact CG2-CB 4.46Å; T48-R56 PolarHBondContact OG1-NH1 3.41Å; G50-R56 CarbonylContact O-C 3.42Å; G50-R56 WeakPolarHBondContact O-CA 3.46Å; T51-R56 HydrophobicContact CG2-CB 4.36Å; R56-M58 HydrophobicContact CG-CG 4.42Å; R56-K72 WeakPolarHBondContact O-CA 3.11Å; R56-I73 HydrophobicContact CG-CB 4.37Å; R56-I73 PolarHBondContact N-O 3.26Å; R56-I73 PolarHBondContact O-N 3.32Å; R56-E331 PolarHBondContact NH2-O 3.25Å; R56-E332 IonicContact NH1-OE2 2.94Å; R56-E333 VanDerWaalsContact NH1-N 3.15Å; R56-E333 IonicContact NH2-OE2 3.05Å
57V95.9Very high94.4Very high39 Ų3946.3 Ų46.324%0.23627%0.268CS..EExtended strand (participates in β ladder)trans-110.4127.3171.5-175.50000107.5L49 G50 A70 M71 K72L49-V57 HydrophobicContact CB-CG1 4.36Å; L49-V57 HydrophobicContact CD1-CG1 4.29Å; L49-V57 PolarHBondContact N-O 2.63Å; G50-V57 PolarHBondContact N-O 3.26Å; G50-V57 PolarHBondContact O-N 3.07Å; V57-A70 HydrophobicContact CG1-CB 3.9Å; V57-M71 CarbonylContact C-O 3.51Å; V57-M71 WeakPolarHBondContact CA-O 3.31Å; V57-K72 HydrophobicContact CG2-CB 4.18Å; V57-K72 HydrophobicContact CG2-CG 4.22Å
58M97.2Very high94.5Very high10 Ų1048 Ų485%0.04927%0.273CS..EExtended strand (participates in β ladder)trans-118.6137.5178-61.6-170.876.400110.5R45 K47 R56 V60 A70 M71 I73R45-M58 HydrophobicContact CB-CE 4.07Å; K47-M58 CarbonylContact O-C 3.59Å; K47-M58 VanDerWaalsContact O-CA 3.27Å; K47-M58 WeakPolarHBondContact O-CA 3.4Å; R56-M58 HydrophobicContact CG-CG 4.42Å; M58-V60 HydrophobicContact CB-CG1 4.31Å; M58-V60 PolarHBondContact O-N 3.22Å; M58-A70 CarbonylContact O-C 3.59Å; M58-M71 PolarHBondContact N-O 3.42Å; M58-M71 PolarHBondContact O-N 2.83Å; M58-I73 HydrophobicContact CG-CD1 4.05Å; M58-I73 HydrophobicContact SD-CD1 3.71Å
59L97.8Very high94.6Very high2 Ų248.3 Ų48.31%0.0128%0.275CS..EExtended strand (participates in β ladder)trans-64.9126.9160.4-179.662.2000108.3I46 K47 L49 Y68 Y69 F122 G322 A324I46-L59 HydrophobicContact CB-CB 4.4Å; I46-L59 HydrophobicContact CB-CD2 4.3Å; I46-L59 HydrophobicContact CB-CG 4.19Å; I46-L59 WeakPolarHBondContact CB-O 3.41Å; I46-L59 HydrophobicContact CD1-CD2 4.47Å; I46-L59 HydrophobicContact CD1-CG 4.3Å; I46-L59 HydrophobicContact CG2-CD2 4.07Å; I46-L59 PolarHBondContact N-O 2.77Å; K47-L59 HydrophobicContact CB-CB 4.5Å; K47-L59 PolarHBondContact N-O 2.75Å; K47-L59 PolarHBondContact O-N 2.79Å; L49-L59 HydrophobicContact CD1-CB 4.01Å; L49-L59 HydrophobicContact CD2-CB 4.04Å; L49-L59 HydrophobicContact CG-CB 3.97Å; L59-Y68 HydrophobicContact CD1-CD1 3.98Å; L59-Y68 HydrophobicContact CD1-CG 4.46Å; L59-Y68 HydrophobicContact CD2-CD1 4.5Å; L59-Y68 HydrophobicContact CG-CD1 4.34Å; L59-Y69 WeakPolarHBondContact CA-O 3.33Å; L59-F122 HydrophobicContact CD1-CB 4.4Å; L59-F122 HydrophobicContact CD1-CD1 3.63Å; L59-F122 HydrophobicContact CD1-CD2 3.91Å; L59-F122 HydrophobicContact CD1-CE1 3.76Å; L59-F122 HydrophobicContact CD1-CE2 4.05Å; L59-F122 HydrophobicContact CD1-CG 3.71Å; L59-F122 HydrophobicContact CD1-CZ 3.98Å; L59-G322 WeakPolarHBondContact CD2-O 3.34Å; L59-A324 HydrophobicContact CD2-CB 4.17Å
60V98.4Very high94.8Very high0 Ų048.3 Ų48.30%028%0.277CS..EExtended strand (participates in β ladder)trans-131.5156.7175.5-55.40000110F43 D44 R45 M58 Y68 Y69 M71F43-V60 HydrophobicContact CB-CB 4.1Å; F43-V60 HydrophobicContact CB-CG2 4.23Å; F43-V60 HydrophobicContact CD1-CG2 3.8Å; F43-V60 HydrophobicContact CG-CG2 4.25Å; D44-V60 CarbonylContact O-C 3.54Å; D44-V60 WeakPolarHBondContact O-CA 3.46Å; D44-V60 WeakPolarHBondContact O-CB 3.35Å; R45-V60 HydrophobicContact CG-CG1 4.19Å; M58-V60 HydrophobicContact CB-CG1 4.31Å; M58-V60 PolarHBondContact O-N 3.22Å; V60-Y68 CarbonylContact O-C 3.49Å; V60-Y68 WeakPolarHBondContact O-CA 3.39Å; V60-Y69 PolarHBondContact N-O 3.33Å; V60-Y69 PolarHBondContact O-N 2.66Å; V60-M71 HydrophobicContact CG1-CB 3.69Å; V60-M71 HydrophobicContact CG1-CE 4.16Å; V60-M71 HydrophobicContact CG1-SD 4.15Å; V60-M71 HydrophobicContact CG2-CB 3.96Å; V60-M71 HydrophobicContact CG2-CE 4.17Å
61Q98.6Very high95.1Very high38 Ų3847.7 Ų47.718%0.17827%0.27CS..EExtended strand (participates in β ladder)trans-116.5129.7170-173.7176.144.300109.7F43 D44 I46 K63 K66 E67 Y68F43-Q61 CarbonylContact C-O 3.5Å; F43-Q61 WeakPolarHBondContact CA-O 3.42Å; D44-Q61 PolarHBondContact N-O 3.22Å; D44-Q61 PolarHBondContact O-N 3.4Å; I46-Q61 HydrophobicContact CD1-CB 3.86Å; Q61-K63 PolarHBondContact O-N 2.84Å; Q61-K66 WeakPolarHBondContact CG-O 3.48Å; Q61-K66 PolarHBondContact NE2-O 2.94Å; Q61-E67 CarbonylContact C-O 3.51Å; Q61-E67 WeakPolarHBondContact CA-O 3.26Å; Q61-Y68 HydrophobicContact CB-CD1 4.11Å; Q61-Y68 HydrophobicContact CB-CE1 4.06Å; Q61-Y68 HydrophobicContact CG-CD1 4.43Å; Q61-Y68 HydrophobicContact CG-CE1 4.26Å; Q61-Y68 PolarHBondContact NE2-OH 3.15Å
62H98.5Very high95.4Very high29 Ų2945.1 Ų45.113%0.13425%0.252CS..EExtended strand (participates in β ladder)trans-70125.8174.2-177.4-121.6000109.8S42 F43 V64 S65 K66 E67 Y69S42-H62 PolarHBondContact O-CD2 3.37Å; S42-H62 VanDerWaalsContact O-CD2 3.32Å; F43-H62 HydrophobicContact CD1-CB 4.01Å; F43-H62 HydrophobicContact CE1-CB 3.9Å; F43-H62 AromaticContact CE1-CD2 3.7Å; H62-V64 VanDerWaalsContact C-N 3.28Å; H62-V64 PolarHBondContact O-N 3.32Å; H62-S65 PolarHBondContact ND1-N 3.13Å; H62-S65 PolarHBondContact ND1-OG 2.81Å; H62-K66 VanDerWaalsContact O-CA 3.24Å; H62-K66 WeakPolarHBondContact O-CA 3.37Å; H62-K66 PolarHBondContact O-N 3.39Å; H62-E67 PolarHBondContact N-O 3.46Å; H62-Y69 HydrophobicContact CB-CD2 4.14Å; H62-Y69 HydrophobicContact CB-CE2 3.75Å
63K98.3Very high96Very high83 Ų8342.9 Ų42.936%0.36123%0.227SC..THydrogen-bonded Turntrans-61.1-35.5-168.6-76.6178.2178.2170.40113.6D41 S42 D44 Q61 K66D41-K63 VanDerWaalsContact O-CD 3.31Å; D41-K63 WeakPolarHBondContact O-CD 3.49Å; D41-K63 VanDerWaalsContact O-CE 3.3Å; D41-K63 WeakPolarHBondContact O-CE 3.21Å; D41-K63 PolarHBondContact O-NZ 3.02Å; S42-K63 WeakPolarHBondContact O-CG 2.99Å; S42-K63 PolarHBondContact O-N 3.37Å; D44-K63 WeakPolarHBondContact OD1-CE 3.39Å; D44-K63 IonicContact OD1-NZ 3.55Å; D44-K63 WeakPolarHBondContact OD2-CG 3.2Å; Q61-K63 PolarHBondContact O-N 2.84Å; K63-K66 WeakPolarHBondContact O-CD 3.03Å; K63-K66 VanDerWaalsContact O-CE 3.23Å; K63-K66 WeakPolarHBondContact O-CE 3.5Å; K63-K66 PolarHBondContact O-NZ 3.12Å
64V97.6Very high96.7Very high124 Ų12438.6 Ų38.675%0.75220%0.197SC*.THydrogen-bonded Turntrans-87.1-57.9-176.1-178.30000111.4H62 K66H62-V64 VanDerWaalsContact C-N 3.28Å; H62-V64 PolarHBondContact O-N 3.32Å; V64-K66 VanDerWaalsContact C-N 3.28Å; V64-K66 PolarHBondContact O-N 3.45Å
65S97.1Very high97.1Very high53 Ų5338.9 Ų38.937%0.37120%0.201SC..THydrogen-bonded Turntrans-76.2-15.3-175.965.90000113.7H62 E67H62-S65 PolarHBondContact ND1-N 3.13Å; H62-S65 PolarHBondContact ND1-OG 2.81Å; S65-E67 PolarHBondContact O-N 3.47Å; S65-E67 VanDerWaalsContact O-N 3.12Å; S65-E67 PolarHBondContact OG-OE2 3.02Å
66K97.4Very high97.5Very high116 Ų11637.9 Ų37.950%0.50419%0.189SC..  trans61.510.2-174.4-55.6-54.7-170.9-169.10114.7Q61 H62 K63 V64Q61-K66 WeakPolarHBondContact CG-O 3.48Å; Q61-K66 PolarHBondContact NE2-O 2.94Å; H62-K66 VanDerWaalsContact O-CA 3.24Å; H62-K66 WeakPolarHBondContact O-CA 3.37Å; H62-K66 PolarHBondContact O-N 3.39Å; K63-K66 WeakPolarHBondContact O-CD 3.03Å; K63-K66 VanDerWaalsContact O-CE 3.23Å; K63-K66 WeakPolarHBondContact O-CE 3.5Å; K63-K66 PolarHBondContact O-NZ 3.12Å; V64-K66 VanDerWaalsContact C-N 3.28Å; V64-K66 PolarHBondContact O-N 3.45Å
67E97.6Very high97.6Very high101 Ų10141.7 Ų41.747%0.47221%0.208SC..  trans-74.1148.1174.4-68.1178.3142.200111.6Q61 H62 S65 Y69Q61-E67 CarbonylContact C-O 3.51Å; Q61-E67 WeakPolarHBondContact CA-O 3.26Å; H62-E67 PolarHBondContact N-O 3.46Å; S65-E67 PolarHBondContact O-N 3.47Å; S65-E67 VanDerWaalsContact O-N 3.12Å; S65-E67 PolarHBondContact OG-OE2 3.02Å; E67-Y69 HydrophobicContact CB-CD2 4.42Å; E67-Y69 HydrophobicContact CB-CE2 3.58Å; E67-Y69 WeakPolarHBondContact O-CD2 3.18Å; E67-Y69 PolarHBondContact OE2-OH 2.8Å
68Y98.2Very high97.7Very high75 Ų7544.8 Ų44.829%0.29422%0.219SC..EExtended strand (participates in β ladder)trans-94.8141.2178.5-67.7-87.6000111.1I46 L59 V60 Q61 A321I46-Y68 HydrophobicContact CD1-CD1 3.89Å; I46-Y68 HydrophobicContact CD1-CE1 3.51Å; L59-Y68 HydrophobicContact CD1-CD1 3.98Å; L59-Y68 HydrophobicContact CD1-CG 4.46Å; L59-Y68 HydrophobicContact CD2-CD1 4.5Å; L59-Y68 HydrophobicContact CG-CD1 4.34Å; V60-Y68 CarbonylContact O-C 3.49Å; V60-Y68 WeakPolarHBondContact O-CA 3.39Å; Q61-Y68 HydrophobicContact CB-CD1 4.11Å; Q61-Y68 HydrophobicContact CB-CE1 4.06Å; Q61-Y68 HydrophobicContact CG-CD1 4.43Å; Q61-Y68 HydrophobicContact CG-CE1 4.26Å; Q61-Y68 PolarHBondContact NE2-OH 3.15Å; Y68-A321 HydrophobicContact CD2-CB 3.96Å; Y68-A321 HydrophobicContact CE2-CB 4.36Å
69Y98.6Very high97.7Very high8 Ų844.3 Ų44.33%0.03122%0.216CC..EExtended strand (participates in β ladder)trans-137.8156.6-178.3-64.1-88.4000111.3F43 L59 V60 H62 E67 D107 Y108 V119 L120F43-Y69 HydrophobicContact CE1-CD2 4.23Å; L59-Y69 WeakPolarHBondContact CA-O 3.33Å; V60-Y69 PolarHBondContact N-O 3.33Å; V60-Y69 PolarHBondContact O-N 2.66Å; H62-Y69 HydrophobicContact CB-CD2 4.14Å; H62-Y69 HydrophobicContact CB-CE2 3.75Å; E67-Y69 HydrophobicContact CB-CD2 4.42Å; E67-Y69 HydrophobicContact CB-CE2 3.58Å; E67-Y69 WeakPolarHBondContact O-CD2 3.18Å; E67-Y69 PolarHBondContact OE2-OH 2.8Å; Y69-D107 HydrophobicContact CD1-CB 4.44Å; Y69-D107 HydrophobicContact CE1-CB 3.82Å; Y69-D107 WeakPolarHBondContact CE1-OD2 3.35Å; Y69-Y108 HydrophobicContact CE1-CD2 4.45Å; Y69-Y108 AromaticContact CE1-CE2 3.95Å; Y69-Y108 HydrophobicContact CE1-CE2 3.95Å; Y69-Y108 HydrophobicContact CE2-CE2 4.22Å; Y69-Y108 AromaticContact CZ-CE2 3.73Å; Y69-V119 VanDerWaalsContact CB-CG1 3.43Å; Y69-V119 HydrophobicContact CD1-CG1 3.85Å; Y69-V119 HydrophobicContact CD2-CG1 4.39Å; Y69-V119 HydrophobicContact CG-CG1 3.64Å; Y69-L120 CarbonylContact C-O 3.4Å; Y69-L120 WeakPolarHBondContact CA-O 3.35Å; Y69-L120 WeakPolarHBondContact CB-O 3.06Å; Y69-L120 WeakPolarHBondContact CD1-O 3.41Å
70A98Very high97.6Very high11 Ų1146.4 Ų46.49%0.09123%0.229CC..EExtended strand (participates in β ladder)trans-98.1104.2167.800000109.1L49 V57 M58 K72 L120 F122L49-A70 HydrophobicContact CD1-CB 4.16Å; V57-A70 HydrophobicContact CG1-CB 3.9Å; M58-A70 CarbonylContact O-C 3.59Å; A70-K72 PolarHBondContact O-N 2.91Å; A70-L120 HydrophobicContact CB-CB 4.38Å; A70-L120 PolarHBondContact N-O 3.05Å; A70-L120 WeakPolarHBondContact O-CB 3.45Å; A70-L120 PolarHBondContact O-N 3.17Å; A70-F122 HydrophobicContact CB-CD2 4.42Å
71M98.2Very high97.5Very high0 Ų054.8 Ų54.80%027%0.266CS..EExtended strand (participates in β ladder)trans-89106.4178-176.1-178.4-74.400110.3L40 F43 V57 M58 V60 I73 F110 Y117 M118 V119L40-M71 HydrophobicContact CD1-CE 4.23Å; L40-M71 HydrophobicContact CD1-SD 3.83Å; F43-M71 HydrophobicContact CB-CE 3.9Å; F43-M71 HydrophobicContact CD1-CE 4.32Å; F43-M71 HydrophobicContact CD2-CE 3.5Å; F43-M71 VanDerWaalsContact CD2-CE 3.5Å; F43-M71 HydrophobicContact CE2-CE 4.09Å; F43-M71 HydrophobicContact CG-CE 3.64Å; V57-M71 CarbonylContact C-O 3.51Å; V57-M71 WeakPolarHBondContact CA-O 3.31Å; M58-M71 PolarHBondContact N-O 3.42Å; M58-M71 PolarHBondContact O-N 2.83Å; V60-M71 HydrophobicContact CG1-CB 3.69Å; V60-M71 HydrophobicContact CG1-CE 4.16Å; V60-M71 HydrophobicContact CG1-SD 4.15Å; V60-M71 HydrophobicContact CG2-CB 3.96Å; V60-M71 HydrophobicContact CG2-CE 4.17Å; M71-I73 HydrophobicContact CG-CD1 4.42Å; M71-I73 HydrophobicContact CG-CG1 3.84Å; M71-I73 HydrophobicContact SD-CD1 4.19Å; M71-I73 HydrophobicContact SD-CG1 4.11Å; M71-F110 HydrophobicContact CE-CE1 4.43Å; M71-F110 HydrophobicContact CE-CZ 3.98Å; M71-Y117 HydrophobicContact CG-CD1 4.19Å; M71-Y117 HydrophobicContact SD-CD1 3.73Å; M71-Y117 HydrophobicContact SD-CE1 4.26Å; M71-M118 CarbonylContact C-O 3.6Å; M71-M118 WeakPolarHBondContact CA-O 3.44Å; M71-V119 HydrophobicContact CE-CG2 3.82Å; M71-V119 HydrophobicContact CG-CG2 4.2Å
72K97Very high97.3Very high27 Ų2756.8 Ų56.812%0.11728%0.277CS..EExtended strand (participates in β ladder)trans-79.3117169-176166175.4-179.60108.9R56 V57 A70 L74 E91 Y117 M118 L120 D184R56-K72 WeakPolarHBondContact O-CA 3.11Å; V57-K72 HydrophobicContact CG2-CB 4.18Å; V57-K72 HydrophobicContact CG2-CG 4.22Å; A70-K72 PolarHBondContact O-N 2.91Å; K72-L74 HydrophobicContact CD-CD2 4.43Å; K72-L74 HydrophobicContact CG-CD2 3.81Å; K72-L74 HydrophobicContact CG-CG 4.33Å; K72-E91 VanDerWaalsContact NZ-CD 3.32Å; K72-E91 IonicContact NZ-OE1 3.46Å; K72-E91 PolarHBondContact NZ-OE1 2.91Å; K72-E91 IonicContact NZ-OE2 2.71Å; K72-E91 PolarHBondContact NZ-OE2 3.12Å; K72-E91 VanDerWaalsContact NZ-OE2 3.14Å; K72-Y117 WeakPolarHBondContact O-CA 3.45Å; K72-M118 HydrophobicContact CB-CB 4.32Å; K72-M118 HydrophobicContact CD-CE 3.86Å; K72-M118 HydrophobicContact CG-CE 4.15Å; K72-M118 PolarHBondContact N-O 3.08Å; K72-M118 PolarHBondContact O-N 3.42Å; K72-L120 HydrophobicContact CB-CD1 4.23Å; K72-D184 IonicContact NZ-OD1 3.58Å
73I97.6Very high97.1Very high5 Ų564.2 Ų64.23%0.02631%0.309CS..EExtended strand (participates in β ladder)trans-112.1118.6-176.7-51.1174.5000108.2G55 R56 M58 M71 N115 L116 Y117 L335G55-I73 CarbonylContact C-O 3.6Å; G55-I73 WeakPolarHBondContact CA-O 3.35Å; R56-I73 HydrophobicContact CG-CB 4.37Å; R56-I73 PolarHBondContact N-O 3.26Å; R56-I73 PolarHBondContact O-N 3.32Å; M58-I73 HydrophobicContact CG-CD1 4.05Å; M58-I73 HydrophobicContact SD-CD1 3.71Å; M71-I73 HydrophobicContact CG-CD1 4.42Å; M71-I73 HydrophobicContact CG-CG1 3.84Å; M71-I73 HydrophobicContact SD-CD1 4.19Å; M71-I73 HydrophobicContact SD-CG1 4.11Å; I73-N115 HydrophobicContact CG2-CB 4.06Å; I73-L116 WeakPolarHBondContact CA-O 3.28Å; I73-Y117 HydrophobicContact CB-CD1 4.47Å; I73-Y117 HydrophobicContact CB-CE1 4.41Å; I73-Y117 HydrophobicContact CD1-CE1 4.37Å; I73-Y117 HydrophobicContact CG1-CD1 3.98Å; I73-Y117 HydrophobicContact CG1-CE1 4.04Å; I73-Y117 HydrophobicContact CG2-CD1 4.18Å; I73-Y117 HydrophobicContact CG2-CE1 3.72Å; I73-L335 HydrophobicContact CD1-CD1 4.47Å; I73-L335 HydrophobicContact CD1-CD2 4.19Å; I73-L335 HydrophobicContact CG2-CD1 3.76Å
74L96.8Very high96.8Very high2 Ų262.6 Ų62.61%0.0130%0.303CS..EExtended strand (participates in β ladder)trans-117.5127.9-177-50.4-179.4000110.7F54 K72 K76 V79 T88 N115 L116 M118F54-L74 HydrophobicContact CD2-CB 4.44Å; F54-L74 HydrophobicContact CD2-CD1 4.4Å; F54-L74 HydrophobicContact CD2-CD2 3.7Å; F54-L74 HydrophobicContact CD2-CG 4.39Å; F54-L74 HydrophobicContact CE2-CD1 4.12Å; F54-L74 HydrophobicContact CE2-CD2 3.72Å; F54-L74 HydrophobicContact CE2-CG 4.45Å; K72-L74 HydrophobicContact CD-CD2 4.43Å; K72-L74 HydrophobicContact CG-CD2 3.81Å; K72-L74 HydrophobicContact CG-CG 4.33Å; L74-K76 PolarHBondContact O-N 3.4Å; L74-V79 HydrophobicContact CB-CG2 4.07Å; L74-T88 HydrophobicContact CD1-CG2 3.62Å; L74-N115 CarbonylContact O-C 3.58Å; L74-N115 WeakPolarHBondContact O-CA 3.34Å; L74-L116 HydrophobicContact CB-CB 4.26Å; L74-L116 PolarHBondContact N-O 3.18Å; L74-L116 PolarHBondContact O-N 3.4Å; L74-M118 HydrophobicContact CD1-CE 3.72Å; L74-M118 HydrophobicContact CG-CE 4.47Å
75D97Very high96.7Very high44 Ų4458.3 Ų58.324%0.23528%0.277CS..EExtended strand (participates in β ladder)trans-75.7117.4175.6175.5-41.2000109.7F54 Q77 K78 V79F54-D75 PolarHBondContact O-N 2.9Å; D75-Q77 VanDerWaalsContact C-N 3.29Å; D75-Q77 PolarHBondContact O-N 3.41Å; D75-Q77 WeakPolarHBondContact OD1-CA 3.14Å; D75-Q77 WeakPolarHBondContact OD1-CB 3.36Å; D75-Q77 PolarHBondContact OD1-N 2.87Å; D75-K78 HydrophobicContact CB-CB 3.99Å; D75-K78 HydrophobicContact CB-CD 3.93Å; D75-K78 HydrophobicContact CB-CG 3.95Å; D75-K78 PolarHBondContact O-N 2.68Å; D75-K78 PolarHBondContact OD1-N 3.49Å; D75-V79 VanDerWaalsContact O-CG2 3.31Å; D75-V79 WeakPolarHBondContact O-CG2 3.47Å; D75-V79 PolarHBondContact O-N 3.4Å
76K97.8Very high96.5Very high1 Ų161 Ų610%0.00428%0.284CS..Hα-helixtrans-56.8-42-176.7-71.3-177.5-165.9-175.30112.5L74 V79 V80 D112 S114 N115 L116 K342 C343 F347L74-K76 PolarHBondContact O-N 3.4Å; K76-V79 PolarHBondContact O-N 3.11Å; K76-V80 WeakPolarHBondContact O-CG2 3.37Å; K76-V80 PolarHBondContact O-N 3.48Å; K76-D112 WeakPolarHBondContact CE-O 3.24Å; K76-D112 PolarHBondContact NZ-O 3Å; K76-S114 WeakPolarHBondContact CB-O 3.31Å; K76-S114 WeakPolarHBondContact CG-O 3.48Å; K76-S114 PolarHBondContact N-O 3.18Å; K76-N115 WeakPolarHBondContact CE-O 3.41Å; K76-L116 HydrophobicContact CD-CD2 4.26Å; K76-L116 HydrophobicContact CG-CD1 4.46Å; K76-L116 HydrophobicContact CG-CD2 3.88Å; K76-L116 HydrophobicContact CG-CG 3.83Å; K76-K342 WeakPolarHBondContact CD-O 3.32Å; K76-K342 PolarHBondContact NZ-O 2.83Å; K76-C343 HydrophobicContact CB-CB 4.08Å; K76-C343 HydrophobicContact CD-CB 4.41Å; K76-F347 HydrophobicContact CB-CD2 4.01Å; K76-F347 HydrophobicContact CB-CE2 3.67Å; K76-F347 HydrophobicContact CD-CD2 3.91Å; K76-F347 HydrophobicContact CD-CE2 4.42Å; K76-F347 HydrophobicContact CG-CD2 3.76Å; K76-F347 HydrophobicContact CG-CE2 3.86Å
77Q97.1Very high96.2Very high107 Ų10757.1 Ų57.150%0.527%0.267SS..Hα-helixtrans-69.4-39.1-178-60.1-170.8-9000110.8D75 V80 K81 K342D75-Q77 VanDerWaalsContact C-N 3.29Å; D75-Q77 PolarHBondContact O-N 3.41Å; D75-Q77 WeakPolarHBondContact OD1-CA 3.14Å; D75-Q77 WeakPolarHBondContact OD1-CB 3.36Å; D75-Q77 PolarHBondContact OD1-N 2.87Å; Q77-V80 PolarHBondContact O-N 3.33Å; Q77-K81 VanDerWaalsContact O-CB 3.28Å; Q77-K81 WeakPolarHBondContact O-CB 3.27Å; Q77-K81 PolarHBondContact O-N 3.4Å; Q77-K342 HydrophobicContact CG-CB 4.05Å; Q77-K342 HydrophobicContact CG-CG 4.31Å
78K96.7Very high96.1Very high104 Ų10452.4 Ų52.445%0.45225%0.245SC..Hα-helixtrans-65.1-43.7174.1-67.7-176.4-171.7176.70111.7F54 D75 V80 K81 L82F54-K78 HydrophobicContact CB-CB 4Å; D75-K78 HydrophobicContact CB-CB 3.99Å; D75-K78 HydrophobicContact CB-CD 3.93Å; D75-K78 HydrophobicContact CB-CG 3.95Å; D75-K78 PolarHBondContact O-N 2.68Å; D75-K78 PolarHBondContact OD1-N 3.49Å; K78-V80 VanDerWaalsContact C-N 3.34Å; K78-V80 PolarHBondContact O-N 3.07Å; K78-K81 PolarHBondContact O-N 3.15Å; K78-L82 WeakPolarHBondContact O-CB 3.23Å; K78-L82 WeakPolarHBondContact O-CG 3.48Å; K78-L82 PolarHBondContact O-N 2.95Å
79V96.7Very high96Very high0 Ų050.6 Ų50.60%024%0.24CC..Hα-helixtrans-58.5-45.9176.6173.60000110.9F54 L74 D75 K76 K83 Q84 V85 F347F54-V79 HydrophobicContact CB-CG2 4.13Å; F54-V79 HydrophobicContact CD2-CG2 3.69Å; F54-V79 HydrophobicContact CE2-CG2 4.48Å; F54-V79 HydrophobicContact CG-CG2 4.14Å; L74-V79 HydrophobicContact CB-CG2 4.07Å; D75-V79 VanDerWaalsContact O-CG2 3.31Å; D75-V79 WeakPolarHBondContact O-CG2 3.47Å; D75-V79 PolarHBondContact O-N 3.4Å; K76-V79 PolarHBondContact O-N 3.11Å; V79-K83 PolarHBondContact O-N 3.27Å; V79-Q84 HydrophobicContact CG1-CB 3.99Å; V79-Q84 PolarHBondContact O-N 3.07Å; V79-V85 HydrophobicContact CG1-CG2 4.39Å; V79-F347 HydrophobicContact CB-CZ 3.88Å; V79-F347 HydrophobicContact CG1-CE1 3.86Å; V79-F347 HydrophobicContact CG1-CZ 3.52Å
80V97Very high95.8Very high46 Ų4651.9 Ų51.928%0.27925%0.248SC..Hα-helixtrans-63.6-47.9176.2171.80000111.3K76 Q77 K78 L82 K83 V85 C343 E346 F347K76-V80 WeakPolarHBondContact O-CG2 3.37Å; K76-V80 PolarHBondContact O-N 3.48Å; Q77-V80 PolarHBondContact O-N 3.33Å; K78-V80 VanDerWaalsContact C-N 3.34Å; K78-V80 PolarHBondContact O-N 3.07Å; V80-L82 VanDerWaalsContact C-N 3.29Å; V80-L82 PolarHBondContact O-N 3.28Å; V80-K83 PolarHBondContact O-N 2.77Å; V80-V85 HydrophobicContact CB-CG2 4.4Å; V80-V85 HydrophobicContact CG2-CG2 3.74Å; V80-C343 HydrophobicContact CG2-CB 4.05Å; V80-E346 HydrophobicContact CG2-CB 4.2Å; V80-E346 HydrophobicContact CG2-CG 4.06Å; V80-F347 HydrophobicContact CG2-CE2 3.73Å; V80-F347 HydrophobicContact CG2-CZ 3.96Å
81K96.5Very high95.7Very high177 Ų17751.6 Ų51.677%0.7724%0.244SC*.Hα-helixtrans-58.4-39.5-179.9-175.7-178.5177.3-177.50112.4Q77 K78 K83Q77-K81 VanDerWaalsContact O-CB 3.28Å; Q77-K81 WeakPolarHBondContact O-CB 3.27Å; Q77-K81 PolarHBondContact O-N 3.4Å; K78-K81 PolarHBondContact O-N 3.15Å; K81-K83 VanDerWaalsContact C-N 3.27Å; K81-K83 PolarHBondContact O-N 3.15Å
82L93.8Very high95.6Very high80 Ų8051.7 Ų51.742%0.41925%0.245SC..THydrogen-bonded Turntrans-87.18.6178.9-62.7179.3000113.5F54 K78 V80 Q84F54-L82 HydrophobicContact CB-CD1 4.19Å; F54-L82 HydrophobicContact CD1-CD1 4.21Å; K78-L82 WeakPolarHBondContact O-CB 3.23Å; K78-L82 WeakPolarHBondContact O-CG 3.48Å; K78-L82 PolarHBondContact O-N 2.95Å; V80-L82 VanDerWaalsContact C-N 3.29Å; V80-L82 PolarHBondContact O-N 3.28Å; L82-Q84 VanDerWaalsContact C-N 3.26Å; L82-Q84 HydrophobicContact CB-CG 4.11Å; L82-Q84 PolarHBondContact O-N 3.16Å; L82-Q84 PolarHBondContact O-NE2 2.9Å; L82-Q84 VanDerWaalsContact O-NE2 3.11Å
83K93.7Very high95.6Very high185 Ų18554.2 Ų54.280%0.80425%0.254SS*.THydrogen-bonded Turntrans55.736.7178.8-55.7-178.6179-179.60113.3V79 V80 K81V79-K83 PolarHBondContact O-N 3.27Å; V80-K83 PolarHBondContact O-N 2.77Å; K81-K83 VanDerWaalsContact C-N 3.27Å; K81-K83 PolarHBondContact O-N 3.15Å
84Q93.1Very high95.6Very high48 Ų4854 Ų5422%0.22425%0.253CS..  trans-99.69-178.3-63.8-54.6-56.600114F54 V79 L82 E86 H87 T88F54-Q84 HydrophobicContact CD1-CG 4.31Å; F54-Q84 HydrophobicContact CE1-CG 4.09Å; V79-Q84 HydrophobicContact CG1-CB 3.99Å; V79-Q84 PolarHBondContact O-N 3.07Å; L82-Q84 VanDerWaalsContact C-N 3.26Å; L82-Q84 HydrophobicContact CB-CG 4.11Å; L82-Q84 PolarHBondContact O-N 3.16Å; L82-Q84 PolarHBondContact O-NE2 2.9Å; L82-Q84 VanDerWaalsContact O-NE2 3.11Å; Q84-E86 PolarHBondContact O-N 3.35Å; Q84-H87 PolarHBondContact O-N 3.32Å; Q84-H87 PolarHBondContact OE1-ND1 3.33Å; Q84-T88 PolarHBondContact O-N 2.86Å; Q84-T88 PolarHBondContact O-OG1 2.8Å
85V95.3Very high95.7Very high34 Ų3454 Ų5421%0.20625%0.253CS..Hα-helixtrans-54.5-51.3-176.4-179.60000112.3V79 V80 H87 T88 L89 E346 F347V79-V85 HydrophobicContact CG1-CG2 4.39Å; V80-V85 HydrophobicContact CB-CG2 4.4Å; V80-V85 HydrophobicContact CG2-CG2 3.74Å; V85-H87 VanDerWaalsContact C-N 3.34Å; V85-H87 PolarHBondContact O-N 2.91Å; V85-T88 PolarHBondContact O-N 3.39Å; V85-L89 HydrophobicContact CG1-CD1 3.99Å; V85-L89 WeakPolarHBondContact O-CG 3.24Å; V85-L89 PolarHBondContact O-N 2.95Å; V85-E346 HydrophobicContact CG1-CB 4.24Å; V85-F347 HydrophobicContact CB-CE1 4.35Å; V85-F347 HydrophobicContact CG1-CD1 4.4Å; V85-F347 HydrophobicContact CG1-CE1 3.94Å; V85-F347 HydrophobicContact CG1-CZ 4.42Å; V85-F347 HydrophobicContact CG2-CE1 4.25Å; V85-F347 HydrophobicContact CG2-CZ 3.98Å
86E92.9Very high95.7Very high110 Ų11053.1 Ų53.151%0.51425%0.247SC..Hα-helixtrans-61.4-42.3179.9-172.2-168.1150.900111.4Q84 L89 N90 K189Q84-E86 PolarHBondContact O-N 3.35Å; E86-L89 PolarHBondContact O-N 3.34Å; E86-N90 VanDerWaalsContact O-CB 3.27Å; E86-N90 WeakPolarHBondContact O-CB 3.4Å; E86-N90 VanDerWaalsContact O-CG 3.26Å; E86-N90 PolarHBondContact O-N 3.49Å; E86-N90 PolarHBondContact O-ND2 2.82Å; E86-K189 IonicContact OE1-NZ 3.24Å; E86-K189 PolarHBondContact OE1-NZ 3.44Å
87H91.1Very high95.7Very high35 Ų3553.1 Ų53.116%0.16225%0.248CC..Hα-helixtrans-65-44.1179.3-67.1159.7000111.9Q84 V85 N90 E91Q84-H87 PolarHBondContact O-N 3.32Å; Q84-H87 PolarHBondContact OE1-ND1 3.33Å; V85-H87 VanDerWaalsContact C-N 3.34Å; V85-H87 PolarHBondContact O-N 2.91Å; H87-N90 PolarHBondContact O-N 2.77Å; H87-E91 VanDerWaalsContact O-CB 3.28Å; H87-E91 WeakPolarHBondContact O-CB 3.41Å; H87-E91 PolarHBondContact O-N 3.48Å
88T94.9Very high95.7Very high1 Ų148.4 Ų48.41%0.00623%0.226CC..Hα-helixtrans-64.3-42.5177.4-61.30000112.5L74 Q84 V85 K92 L116 F350L74-T88 HydrophobicContact CD1-CG2 3.62Å; Q84-T88 PolarHBondContact O-N 2.86Å; Q84-T88 PolarHBondContact O-OG1 2.8Å; V85-T88 PolarHBondContact O-N 3.39Å; T88-K92 PolarHBondContact O-N 2.9Å; T88-K92 VanDerWaalsContact O-N 3.12Å; T88-L116 HydrophobicContact CG2-CD1 3.62Å; T88-F350 HydrophobicContact CG2-CD2 4.23Å; T88-F350 HydrophobicContact CG2-CE2 3.84Å
89L95.8Very high95.7Very high37 Ų3746.5 Ų46.519%0.19423%0.225CC..Hα-helixtrans-65.1-42.9176-69.4173.6000111.5V85 E86 R93 F347 F350V85-L89 HydrophobicContact CG1-CD1 3.99Å; V85-L89 WeakPolarHBondContact O-CG 3.24Å; V85-L89 PolarHBondContact O-N 2.95Å; E86-L89 PolarHBondContact O-N 3.34Å; L89-R93 WeakPolarHBondContact O-CB 3.41Å; L89-R93 PolarHBondContact O-N 3.36Å; L89-F347 HydrophobicContact CD2-CD1 4.36Å; L89-F350 HydrophobicContact CD2-CB 3.88Å; L89-F350 HydrophobicContact CD2-CD2 4.21Å
90N94.2Very high95.7Very high35 Ų3547.9 Ų47.919%0.18723%0.231CC..Hα-helixtrans-63.8-45.6176.5-78.8-27000112E86 H87 K92 R93 I94E86-N90 VanDerWaalsContact O-CB 3.27Å; E86-N90 WeakPolarHBondContact O-CB 3.4Å; E86-N90 VanDerWaalsContact O-CG 3.26Å; E86-N90 PolarHBondContact O-N 3.49Å; E86-N90 PolarHBondContact O-ND2 2.82Å; H87-N90 PolarHBondContact O-N 2.77Å; N90-K92 PolarHBondContact O-N 2.91Å; N90-R93 PolarHBondContact O-N 3.29Å; N90-I94 WeakPolarHBondContact O-CB 3.38Å; N90-I94 VanDerWaalsContact O-CG1 3.24Å; N90-I94 WeakPolarHBondContact O-CG1 3.21Å; N90-I94 PolarHBondContact O-N 3.3Å
91E95.9Very high95.7Very high5 Ų547.4 Ų47.42%0.02323%0.229CC..Hα-helixtrans-54.5-54.8177.7177.7175.7-162.100110.3K72 H87 R93 I94 L95 M118 F185K72-E91 VanDerWaalsContact NZ-CD 3.32Å; K72-E91 IonicContact NZ-OE1 3.46Å; K72-E91 PolarHBondContact NZ-OE1 2.91Å; K72-E91 IonicContact NZ-OE2 2.71Å; K72-E91 PolarHBondContact NZ-OE2 3.12Å; K72-E91 VanDerWaalsContact NZ-OE2 3.14Å; H87-E91 VanDerWaalsContact O-CB 3.28Å; H87-E91 WeakPolarHBondContact O-CB 3.41Å; H87-E91 PolarHBondContact O-N 3.48Å; E91-R93 VanDerWaalsContact C-N 3.33Å; E91-R93 PolarHBondContact O-N 3.36Å; E91-I94 PolarHBondContact O-N 3.27Å; E91-L95 HydrophobicContact CG-CD1 3.69Å; E91-L95 HydrophobicContact CG-CG 4.48Å; E91-L95 WeakPolarHBondContact O-CB 3.45Å; E91-L95 WeakPolarHBondContact O-CG 3.36Å; E91-L95 PolarHBondContact O-N 3.42Å; E91-M118 HydrophobicContact CG-CE 4.39Å; E91-M118 HydrophobicContact CG-SD 4.23Å; E91-F185 HydrophobicContact CG-CB 4.07Å
92K97.1Very high95.8Very high3 Ų339 Ų391%0.01319%0.193CC..Hα-helixtrans-61.3-42.2179.3-167.5-111.393.3144.60112.1A34 T88 N90 Q96 L106 H109 M118 F350A34-K92 PolarHBondContact O-NZ 3.46Å; T88-K92 PolarHBondContact O-N 2.9Å; T88-K92 VanDerWaalsContact O-N 3.12Å; N90-K92 PolarHBondContact O-N 2.91Å; K92-Q96 VanDerWaalsContact CE-NE2 3.27Å; K92-Q96 WeakPolarHBondContact O-CG 2.9Å; K92-Q96 PolarHBondContact O-N 2.86Å; K92-Q96 VanDerWaalsContact O-N 3.11Å; K92-L106 HydrophobicContact CG-CD2 4.33Å; K92-H109 HydrophobicContact CD-CB 4.45Å; K92-H109 HydrophobicContact CG-CB 4.3Å; K92-H109 PolarHBondContact NZ-CE1 2.91Å; K92-H109 PolarHBondContact NZ-ND1 3.4Å; K92-H109 PolarHBondContact NZ-NE2 3.22Å; K92-H109 VanDerWaalsContact NZ-NE2 3.16Å; K92-M118 HydrophobicContact CB-SD 3.93Å; K92-M118 HydrophobicContact CG-CG 4.26Å; K92-M118 HydrophobicContact CG-SD 4.23Å; K92-F350 HydrophobicContact CB-CD2 4.33Å; K92-F350 HydrophobicContact CB-CE2 3.86Å; K92-F350 HydrophobicContact CB-CZ 4.29Å; K92-F350 HydrophobicContact CD-CD1 4.48Å; K92-F350 HydrophobicContact CD-CD2 4.46Å; K92-F350 HydrophobicContact CD-CE1 4.44Å; K92-F350 HydrophobicContact CD-CE2 4.42Å; K92-F350 HydrophobicContact CD-CG 4.49Å; K92-F350 HydrophobicContact CD-CZ 4.4Å; K92-F350 WeakPolarHBondContact CD-OXT 3.29Å; K92-F350 HydrophobicContact CG-CD2 4.39Å; K92-F350 HydrophobicContact CG-CE1 4.33Å; K92-F350 HydrophobicContact CG-CE2 3.9Å; K92-F350 HydrophobicContact CG-CZ 3.87Å; K92-F350 PolarHBondContact NZ-OXT 3.11Å
93R97Very high96Very high80 Ų8035.4 Ų35.430%0.30217%0.174SC..Hα-helixtrans-67.2-36.4-178.6-167.1-179.6-179158.33.7112.7W30 L89 N90 E91 Q96 A97W30-R93 HydrophobicContact CD2-CG 4.33Å; W30-R93 HydrophobicContact CE3-CG 3.82Å; W30-R93 HydrophobicContact CH2-CB 4.35Å; W30-R93 HydrophobicContact CH2-CG 3.89Å; W30-R93 HydrophobicContact CZ2-CG 4.38Å; W30-R93 HydrophobicContact CZ3-CB 4.06Å; W30-R93 HydrophobicContact CZ3-CG 3.58Å; W30-R93 PolarHBondContact O-NE 3.32Å; W30-R93 PolarHBondContact O-NH2 2.94Å; L89-R93 WeakPolarHBondContact O-CB 3.41Å; L89-R93 PolarHBondContact O-N 3.36Å; N90-R93 PolarHBondContact O-N 3.29Å; E91-R93 VanDerWaalsContact C-N 3.33Å; E91-R93 PolarHBondContact O-N 3.36Å; R93-Q96 WeakPolarHBondContact O-CG 3.3Å; R93-A97 WeakPolarHBondContact O-CB 3.32Å
94I97.6Very high96.3Very high0 Ų026.8 Ų26.80%014%0.137CC..Hα-helixtrans-71.8-52175.7-68.7168000109.8W30 N90 E91 Q96 A97 I98 L162 F185 A188W30-I94 HydrophobicContact CH2-CG1 4.08Å; W30-I94 HydrophobicContact CZ3-CB 4.43Å; W30-I94 HydrophobicContact CZ3-CG1 3.62Å; N90-I94 WeakPolarHBondContact O-CB 3.38Å; N90-I94 VanDerWaalsContact O-CG1 3.24Å; N90-I94 WeakPolarHBondContact O-CG1 3.21Å; N90-I94 PolarHBondContact O-N 3.3Å; E91-I94 PolarHBondContact O-N 3.27Å; I94-Q96 VanDerWaalsContact C-N 3.33Å; I94-Q96 PolarHBondContact O-N 3.18Å; I94-A97 PolarHBondContact O-N 3.49Å; I94-I98 HydrophobicContact CG2-CD1 4.29Å; I94-I98 HydrophobicContact CG2-CG2 4.09Å; I94-I98 PolarHBondContact O-N 3.22Å; I94-L162 HydrophobicContact CD1-CD2 3.95Å; I94-L162 HydrophobicContact CG1-CD2 3.89Å; I94-L162 HydrophobicContact CG2-CD1 3.95Å; I94-L162 HydrophobicContact CG2-CD2 4.26Å; I94-F185 HydrophobicContact CG2-CD1 3.71Å; I94-F185 HydrophobicContact CG2-CE1 4.21Å; I94-A188 VanDerWaalsContact CD1-C 3.44Å; I94-A188 HydrophobicContact CD1-CB 3.65Å; I94-A188 VanDerWaalsContact CD1-O 3.3Å; I94-A188 WeakPolarHBondContact CD1-O 3.47Å; I94-A188 HydrophobicContact CG2-CB 4.48Å
95L97.8Very high96.5Very high3 Ų330.5 Ų30.52%0.01615%0.149CC..Hα-helixtrans-59.1-40-175.5-78.8170.9000113.2E91 A97 I98 V104 L106 M118 L120 F185E91-L95 HydrophobicContact CG-CD1 3.69Å; E91-L95 HydrophobicContact CG-CG 4.48Å; E91-L95 WeakPolarHBondContact O-CB 3.45Å; E91-L95 WeakPolarHBondContact O-CG 3.36Å; E91-L95 PolarHBondContact O-N 3.42Å; L95-A97 PolarHBondContact O-N 3.02Å; L95-I98 HydrophobicContact CD2-CD1 4.27Å; L95-V104 HydrophobicContact CD2-CG1 4Å; L95-L106 HydrophobicContact CB-CB 3.89Å; L95-L106 HydrophobicContact CB-CD2 3.79Å; L95-L106 HydrophobicContact CB-CG 4.46Å; L95-M118 HydrophobicContact CD1-SD 4.34Å; L95-L120 HydrophobicContact CD1-CD2 4.1Å; L95-F185 HydrophobicContact CD1-CB 4.3Å; L95-F185 HydrophobicContact CD2-CB 4.09Å; L95-F185 HydrophobicContact CD2-CD1 4.44Å; L95-F185 HydrophobicContact CD2-CD2 3.6Å; L95-F185 HydrophobicContact CD2-CE2 4.11Å; L95-F185 HydrophobicContact CD2-CG 3.79Å; L95-F185 HydrophobicContact CG-CB 3.94Å; L95-F185 HydrophobicContact CG-CD2 4.4Å; L95-F185 HydrophobicContact CG-CG 4.15Å
96Q97.5Very high96.6Very high24 Ų2429.6 Ų29.611%0.11214%0.143CC..THydrogen-bonded Turntrans-68.1-21.817772.6178.2-27.500113.1A34 K92 R93 I94 L106A34-Q96 PolarHBondContact O-OE1 2.82Å; K92-Q96 VanDerWaalsContact CE-NE2 3.27Å; K92-Q96 WeakPolarHBondContact O-CG 2.9Å; K92-Q96 PolarHBondContact O-N 2.86Å; K92-Q96 VanDerWaalsContact O-N 3.11Å; R93-Q96 WeakPolarHBondContact O-CG 3.3Å; I94-Q96 VanDerWaalsContact C-N 3.33Å; I94-Q96 PolarHBondContact O-N 3.18Å; Q96-L106 HydrophobicContact CB-CD2 4.12Å
97A97.8Very high96.8Very high2 Ų226.4 Ų26.42%0.01713%0.129CC..THydrogen-bonded Turntrans-99.4-21.7-171.100000112.9F26 K29 W30 R93 I94 L95F26-A97 WeakPolarHBondContact CA-O 3.43Å; F26-A97 HydrophobicContact CD2-CB 3.6Å; F26-A97 WeakPolarHBondContact CD2-O 3.35Å; F26-A97 HydrophobicContact CE2-CB 3.67Å; K29-A97 HydrophobicContact CB-CB 3.94Å; W30-A97 HydrophobicContact CB-CB 4.32Å; W30-A97 HydrophobicContact CE3-CB 4.23Å; R93-A97 WeakPolarHBondContact O-CB 3.32Å; I94-A97 PolarHBondContact O-N 3.49Å; L95-A97 PolarHBondContact O-N 3.02Å
98I98Very high97.2Very high8 Ų827.3 Ų27.34%0.04113%0.131CC..  trans-87.8150.1178.862.9179000112.1F26 I94 L95 L103 Y156 L157 L160 L162 F185F26-I98 HydrophobicContact CD2-CG2 4.09Å; F26-I98 HydrophobicContact CE2-CG2 4.19Å; I94-I98 HydrophobicContact CG2-CD1 4.29Å; I94-I98 HydrophobicContact CG2-CG2 4.09Å; I94-I98 PolarHBondContact O-N 3.22Å; L95-I98 HydrophobicContact CD2-CD1 4.27Å; I98-L103 HydrophobicContact CD1-CB 4.46Å; I98-L103 HydrophobicContact CD1-CD1 3.94Å; I98-Y156 WeakPolarHBondContact CA-OH 3.21Å; I98-Y156 HydrophobicContact CB-CE1 4.05Å; I98-Y156 HydrophobicContact CG2-CE1 4.14Å; I98-L157 HydrophobicContact CG2-CD2 4.25Å; I98-L160 HydrophobicContact CG2-CD1 4.22Å; I98-L162 HydrophobicContact CG2-CD1 3.63Å; I98-F185 HydrophobicContact CD1-CD1 4.08Å; I98-F185 HydrophobicContact CD1-CE1 3.43Å; I98-F185 VanDerWaalsContact CD1-CE1 3.43Å; I98-F185 HydrophobicContact CD1-CE2 4.35Å; I98-F185 HydrophobicContact CD1-CZ 3.59Å
99S96.4Very high97.3Very high63 Ų6327.6 Ų27.644%0.44113%0.133SC..  trans-147.5111.8169.5-166.10000109.2Y156S99-Y156 PolarHBondContact N-OH 3.36Å; S99-Y156 WeakPolarHBondContact O-CE2 3.31Å; S99-Y156 PolarHBondContact O-OH 2.92Å
100F97.4Very high97.4Very high30 Ų3026.1 Ų26.113%0.13213%0.125CC..  trans-153.8145.2179.3-161-108000111.2F102 L103 L152 A153 Y156 F306F100-F102 HydrophobicContact CD1-CB 4.46Å; F100-F102 HydrophobicContact CD1-CD2 4.25Å; F100-F102 AromaticContact CE1-CD2 3.7Å; F100-F102 HydrophobicContact CE1-CD2 3.7Å; F100-F102 HydrophobicContact CE1-CE2 4.21Å; F100-F102 PolarHBondContact O-N 3.38Å; F100-F102 VanDerWaalsContact O-N 3.08Å; F100-L103 HydrophobicContact CB-CB 4.3Å; F100-L103 HydrophobicContact CB-CD1 3.73Å; F100-L103 HydrophobicContact CB-CG 3.86Å; F100-L103 HydrophobicContact CD1-CG 4.31Å; F100-L103 PolarHBondContact O-N 2.95Å; F100-L103 VanDerWaalsContact O-N 3.12Å; F100-L152 HydrophobicContact CE1-CB 4.06Å; F100-L152 HydrophobicContact CZ-CB 4.04Å; F100-L152 WeakPolarHBondContact CZ-O 3.43Å; F100-A153 HydrophobicContact CD1-CB 4.35Å; F100-A153 HydrophobicContact CE1-CB 4.34Å; F100-Y156 HydrophobicContact CB-CD1 3.91Å; F100-Y156 HydrophobicContact CB-CD2 4.29Å; F100-Y156 HydrophobicContact CB-CE1 3.96Å; F100-Y156 HydrophobicContact CB-CE2 4.25Å; F100-Y156 HydrophobicContact CB-CG 4.11Å; F100-Y156 HydrophobicContact CD1-CG 4.47Å; F100-Y156 HydrophobicContact CD2-CD1 4.14Å; F100-Y156 AromaticContact CD2-CD2 3.32Å; F100-Y156 HydrophobicContact CD2-CD2 3.32Å; F100-Y156 AromaticContact CD2-CE2 3.89Å; F100-Y156 HydrophobicContact CD2-CE2 3.89Å; F100-Y156 AromaticContact CD2-CG 3.46Å; F100-Y156 HydrophobicContact CD2-CG 3.46Å; F100-Y156 VanDerWaalsContact CD2-CG 3.46Å; F100-Y156 AromaticContact CE2-CD2 3.86Å; F100-Y156 HydrophobicContact CE2-CD2 3.86Å; F100-Y156 AromaticContact CE2-CG 3.93Å; F100-Y156 HydrophobicContact CE2-CG 3.93Å; F100-Y156 AromaticContact CG-CD1 3.99Å; F100-Y156 HydrophobicContact CG-CD1 3.99Å; F100-Y156 HydrophobicContact CG-CD2 4.02Å; F100-Y156 HydrophobicContact CG-CE1 4.5Å; F100-Y156 HydrophobicContact CG-CE2 4.44Å; F100-Y156 AromaticContact CG-CG 3.77Å; F100-Y156 HydrophobicContact CG-CG 3.77Å; F100-F306 HydrophobicContact CD2-CE2 4.35Å; F100-F306 HydrophobicContact CE2-CD2 4.11Å; F100-F306 AromaticContact CE2-CE2 3.62Å; F100-F306 HydrophobicContact CE2-CE2 3.62Å; F100-F306 AromaticContact CZ-CD2 3.94Å; F100-F306 HydrophobicContact CZ-CD2 3.94Å; F100-F306 AromaticContact CZ-CE2 3.93Å; F100-F306 HydrophobicContact CZ-CE2 3.93Å
101P96.7Very high97.6Very high36 Ų3626.5 Ų26.523%0.23413%0.125CC..THydrogen-bonded Turntrans-57.1-31.2-171.3-28.736.2000115.4K181 F306P101-K181 VanDerWaalsContact O-CE 3.23Å; P101-K181 WeakPolarHBondContact O-CE 3.36Å; P101-K181 PolarHBondContact O-NZ 2.85Å; P101-F306 HydrophobicContact CG-CD2 4.15Å; P101-F306 HydrophobicContact CG-CE2 3.79Å; P101-F306 HydrophobicContact CG-CZ 4.41Å
102F98.5Very high97.7Very high0 Ų027.8 Ų27.80%013%0.132CC..THydrogen-bonded Turntrans-104.711.7-175.5-45.9-47.9000113.7F100 Q149 L152 Y179 L180 K181 I182 I305 R308F100-F102 HydrophobicContact CD1-CB 4.46Å; F100-F102 HydrophobicContact CD1-CD2 4.25Å; F100-F102 AromaticContact CE1-CD2 3.7Å; F100-F102 HydrophobicContact CE1-CD2 3.7Å; F100-F102 HydrophobicContact CE1-CE2 4.21Å; F100-F102 PolarHBondContact O-N 3.38Å; F100-F102 VanDerWaalsContact O-N 3.08Å; F102-Q149 HydrophobicContact CB-CB 4.47Å; F102-Q149 HydrophobicContact CD1-CB 4.21Å; F102-Q149 HydrophobicContact CD1-CG 4.05Å; F102-Q149 HydrophobicContact CD2-CB 3.79Å; F102-Q149 HydrophobicContact CD2-CG 4.14Å; F102-Q149 WeakPolarHBondContact CD2-O 3.37Å; F102-Q149 HydrophobicContact CE1-CB 4.5Å; F102-Q149 HydrophobicContact CE1-CG 3.91Å; F102-Q149 HydrophobicContact CE2-CB 4.1Å; F102-Q149 HydrophobicContact CE2-CG 4.01Å; F102-Q149 HydrophobicContact CG-CB 3.89Å; F102-Q149 HydrophobicContact CG-CG 4.19Å; F102-Q149 HydrophobicContact CZ-CB 4.45Å; F102-Q149 HydrophobicContact CZ-CG 3.9Å; F102-L152 HydrophobicContact CD2-CB 4.25Å; F102-L152 HydrophobicContact CE2-CB 4.07Å; F102-L152 HydrophobicContact CE2-CD1 3.78Å; F102-Y179 HydrophobicContact CD1-CD1 4.32Å; F102-Y179 AromaticContact CE1-CD1 3.65Å; F102-Y179 HydrophobicContact CE1-CD1 3.65Å; F102-Y179 HydrophobicContact CE1-CE1 4.17Å; F102-Y179 HydrophobicContact CZ-CD1 4.49Å; F102-L180 WeakPolarHBondContact CA-O 3.45Å; F102-L180 HydrophobicContact CB-CD1 3.84Å; F102-L180 HydrophobicContact CB-CG 4.5Å; F102-K181 WeakPolarHBondContact O-CA 3.32Å; F102-I182 PolarHBondContact O-N 2.93Å; F102-I305 HydrophobicContact CE2-CG2 4.26Å; F102-I305 HydrophobicContact CZ-CG2 4Å; F102-I305 WeakPolarHBondContact CZ-O 3.46Å; F102-R308 HydrophobicContact CE1-CG 3.97Å
103L98.6Very high97.7Very high4 Ų430 Ų302%0.02114%0.144CC..BIsolated β-bridgetrans-111.3143.3174.3-57.2-178000108.7I98 F100 R105 A153 Y156 L157 K181 I182 F185I98-L103 HydrophobicContact CD1-CB 4.46Å; I98-L103 HydrophobicContact CD1-CD1 3.94Å; F100-L103 HydrophobicContact CB-CB 4.3Å; F100-L103 HydrophobicContact CB-CD1 3.73Å; F100-L103 HydrophobicContact CB-CG 3.86Å; F100-L103 HydrophobicContact CD1-CG 4.31Å; F100-L103 PolarHBondContact O-N 2.95Å; F100-L103 VanDerWaalsContact O-N 3.12Å; L103-R105 PolarHBondContact O-N 2.84Å; L103-A153 HydrophobicContact CD2-CB 3.84Å; L103-Y156 HydrophobicContact CD1-CD1 3.81Å; L103-Y156 HydrophobicContact CD1-CE1 3.81Å; L103-L157 HydrophobicContact CD1-CD1 4.37Å; L103-L157 HydrophobicContact CD1-CD2 3.8Å; L103-L157 HydrophobicContact CD1-CG 4.04Å; L103-L157 HydrophobicContact CD2-CD1 4.41Å; L103-K181 PolarHBondContact O-NZ 2.66Å; L103-I182 HydrophobicContact CD2-CB 3.76Å; L103-I182 HydrophobicContact CD2-CD1 3.97Å; L103-I182 HydrophobicContact CD2-CG1 4.19Å; L103-I182 HydrophobicContact CD2-CG2 4.41Å; L103-F185 HydrophobicContact CB-CZ 4.47Å; L103-F185 HydrophobicContact CD1-CZ 4.25Å; L103-F185 HydrophobicContact CD2-CZ 3.96Å; L103-F185 HydrophobicContact CG-CZ 4.44Å
104V98Very high97.8Very high5 Ų527 Ų273%0.0314%0.135CC..  trans-63.6133.2174.373.80000109.9L95 L120 E121 I182L95-V104 HydrophobicContact CD2-CG1 4Å; V104-L120 HydrophobicContact CG1-CD2 4Å; V104-L120 HydrophobicContact CG2-CB 4.08Å; V104-L120 HydrophobicContact CG2-CD2 4.18Å; V104-E121 VanDerWaalsContact CA-OE1 3.31Å; V104-E121 WeakPolarHBondContact CA-OE1 3.39Å; V104-E121 HydrophobicContact CG2-CG 3.72Å; V104-I182 WeakPolarHBondContact CB-O 3.23Å; V104-I182 WeakPolarHBondContact CG1-O 3.47Å; V104-I182 PolarHBondContact N-O 3.18Å
105R97.5Very high97.8Very high125 Ų12527.5 Ų27.547%0.47214%0.138SC..  trans-89.2138.1178-160.1174.963.5-152.4-2.6111.1L103 D107 L120 E121L103-R105 PolarHBondContact O-N 2.84Å; R105-D107 WeakPolarHBondContact CD-OD1 3.45Å; R105-D107 WeakPolarHBondContact CG-OD1 3.4Å; R105-D107 IonicContact CZ-OD1 3.51Å; R105-D107 IonicContact CZ-OD2 3.82Å; R105-D107 IonicContact NE-OD1 3.56Å; R105-D107 PolarHBondContact NE-OD1 3.45Å; R105-D107 IonicContact NE-OD2 3.68Å; R105-D107 PolarHBondContact NE-OD2 3.49Å; R105-D107 IonicContact NH2-OD1 3.98Å; R105-D107 IonicContact NH2-OD2 3.25Å; R105-D107 PolarHBondContact NH2-OD2 3.29Å; R105-L120 CarbonylContact O-C 3.59Å; R105-L120 VanDerWaalsContact O-CA 3.27Å; R105-L120 WeakPolarHBondContact O-CA 3.39Å; R105-E121 HydrophobicContact CB-CB 4.5Å; R105-E121 HydrophobicContact CB-CG 4.34Å; R105-E121 PolarHBondContact N-OE1 3.49Å; R105-E121 PolarHBondContact O-N 2.74Å
106L98.2Very high97.8Very high16 Ų1627.3 Ų27.38%0.08414%0.137CC..EExtended strand (participates in β ladder)trans-98.9113.6168.9177.266.5000109K92 L95 Q96 Y108 H109 M118 L120K92-L106 HydrophobicContact CG-CD2 4.33Å; L95-L106 HydrophobicContact CB-CB 3.89Å; L95-L106 HydrophobicContact CB-CD2 3.79Å; L95-L106 HydrophobicContact CB-CG 4.46Å; Q96-L106 HydrophobicContact CB-CD2 4.12Å; L106-Y108 VanDerWaalsContact CD1-O 3.23Å; L106-Y108 WeakPolarHBondContact CD1-O 3.47Å; L106-H109 HydrophobicContact CD2-CB 4.39Å; L106-M118 HydrophobicContact CD1-CB 3.73Å; L106-M118 HydrophobicContact CD1-CG 4.26Å; L106-L120 HydrophobicContact CB-CD2 4.3Å; L106-L120 HydrophobicContact CD1-CD2 4.18Å; L106-L120 HydrophobicContact CD1-CG 4.42Å
107D97.4Very high97.8Very high42 Ų4226.2 Ų26.223%0.22513%0.131CC..EExtended strand (participates in β ladder)trans-97.8-37.6-174.1-72.510.7000111.2Y69 R105 V119Y69-D107 HydrophobicContact CD1-CB 4.44Å; Y69-D107 HydrophobicContact CE1-CB 3.82Å; Y69-D107 WeakPolarHBondContact CE1-OD2 3.35Å; R105-D107 WeakPolarHBondContact CD-OD1 3.45Å; R105-D107 WeakPolarHBondContact CG-OD1 3.4Å; R105-D107 IonicContact CZ-OD1 3.51Å; R105-D107 IonicContact CZ-OD2 3.82Å; R105-D107 IonicContact NE-OD1 3.56Å; R105-D107 PolarHBondContact NE-OD1 3.45Å; R105-D107 IonicContact NE-OD2 3.68Å; R105-D107 PolarHBondContact NE-OD2 3.49Å; R105-D107 IonicContact NH2-OD1 3.98Å; R105-D107 IonicContact NH2-OD2 3.25Å; R105-D107 PolarHBondContact NH2-OD2 3.29Å; D107-V119 PolarHBondContact N-O 2.92Å
108Y98.2Very high97.8Very high54 Ų5426.1 Ų26.121%0.21213%0.131CC..EExtended strand (participates in β ladder)trans-135.1151.5175.2-43.7-90.7000112.5T37 A38 F43 Y69 L106 V119T37-Y108 VanDerWaalsContact OG1-CA 3.29Å; T37-Y108 WeakPolarHBondContact OG1-CA 3.34Å; A38-Y108 HydrophobicContact CB-CD1 3.81Å; A38-Y108 HydrophobicContact CB-CG 4Å; F43-Y108 HydrophobicContact CE1-CD2 4.22Å; F43-Y108 HydrophobicContact CE1-CE2 4.41Å; F43-Y108 AromaticContact CZ-CD2 3.78Å; F43-Y108 HydrophobicContact CZ-CD2 3.78Å; F43-Y108 HydrophobicContact CZ-CE2 4.26Å; F43-Y108 HydrophobicContact CZ-CG 4.06Å; Y69-Y108 HydrophobicContact CE1-CD2 4.45Å; Y69-Y108 AromaticContact CE1-CE2 3.95Å; Y69-Y108 HydrophobicContact CE1-CE2 3.95Å; Y69-Y108 HydrophobicContact CE2-CE2 4.22Å; Y69-Y108 AromaticContact CZ-CE2 3.73Å; L106-Y108 VanDerWaalsContact CD1-O 3.23Å; L106-Y108 WeakPolarHBondContact CD1-O 3.47Å; Y108-V119 HydrophobicContact CD2-CB 4.07Å; Y108-V119 HydrophobicContact CD2-CG1 3.89Å; Y108-V119 HydrophobicContact CG-CB 4.47Å; Y108-V119 PolarHBondContact N-O 3.46Å; Y108-V119 WeakPolarHBondContact O-CB 3.46Å; Y108-V119 PolarHBondContact O-N 3.12Å
109H98.1Very high97.8Very high7 Ų725.8 Ų25.83%0.03213%0.129CC..EExtended strand (participates in β ladder)trans-151.1143.4169.757.864.3000110.5A34 N36 T37 K92 L106 Y117 F350A34-H109 VanDerWaalsContact C-CE1 3.44Å; A34-H109 PolarHBondContact O-CE1 3.31Å; N36-H109 WeakPolarHBondContact CA-O 3.31Å; T37-H109 PolarHBondContact N-O 3.37Å; T37-H109 PolarHBondContact OG1-N 3.01Å; T37-H109 PolarHBondContact OG1-O 3.15Å; K92-H109 HydrophobicContact CD-CB 4.45Å; K92-H109 HydrophobicContact CG-CB 4.3Å; K92-H109 PolarHBondContact NZ-CE1 2.91Å; K92-H109 PolarHBondContact NZ-ND1 3.4Å; K92-H109 PolarHBondContact NZ-NE2 3.22Å; K92-H109 VanDerWaalsContact NZ-NE2 3.16Å; L106-H109 HydrophobicContact CD2-CB 4.39Å; H109-Y117 WeakPolarHBondContact CA-O 3.4Å; H109-Y117 WeakPolarHBondContact CB-O 3.46Å; H109-F350 HydrophobicContact CB-CE1 4.49Å
110F98.3Very high97.9Very high7 Ų723.2 Ų23.23%0.03111%0.11CC..EExtended strand (participates in β ladder)trans-161.7173.1-178.954.2-87.2000110.1A38 L40 F43 M71 Y117 V119 F350A38-F110 HydrophobicContact CB-CD1 3.88Å; A38-F110 HydrophobicContact CB-CE1 4.05Å; A38-F110 WeakPolarHBondContact O-CB 3.49Å; A38-F110 WeakPolarHBondContact O-CD1 3.13Å; A38-F110 VanDerWaalsContact O-CG 3.27Å; A38-F110 WeakPolarHBondContact O-CG 3.48Å; L40-F110 HydrophobicContact CB-CE2 3.9Å; L40-F110 HydrophobicContact CB-CZ 4.33Å; F43-F110 HydrophobicContact CD2-CE1 4.5Å; F43-F110 HydrophobicContact CD2-CZ 4.5Å; F43-F110 AromaticContact CE2-CE1 3.93Å; F43-F110 HydrophobicContact CE2-CE1 3.93Å; F43-F110 HydrophobicContact CE2-CZ 4.37Å; M71-F110 HydrophobicContact CE-CE1 4.43Å; M71-F110 HydrophobicContact CE-CZ 3.98Å; F110-Y117 AromaticContact CD2-CD2 3.38Å; F110-Y117 HydrophobicContact CD2-CD2 3.38Å; F110-Y117 HydrophobicContact CD2-CE2 4.13Å; F110-Y117 AromaticContact CD2-CG 3.71Å; F110-Y117 HydrophobicContact CD2-CG 3.71Å; F110-Y117 HydrophobicContact CE1-CG 4.4Å; F110-Y117 AromaticContact CE2-CD1 3.8Å; F110-Y117 HydrophobicContact CE2-CD1 3.8Å; F110-Y117 AromaticContact CE2-CD2 3.23Å; F110-Y117 HydrophobicContact CE2-CD2 3.23Å; F110-Y117 HydrophobicContact CE2-CE1 4.33Å; F110-Y117 AromaticContact CE2-CE2 3.83Å; F110-Y117 HydrophobicContact CE2-CE2 3.83Å; F110-Y117 AromaticContact CE2-CG 3.22Å; F110-Y117 HydrophobicContact CE2-CG 3.22Å; F110-Y117 HydrophobicContact CG-CD2 4.34Å; F110-Y117 HydrophobicContact CG-CG 4.46Å; F110-Y117 AromaticContact CZ-CD1 3.98Å; F110-Y117 HydrophobicContact CZ-CD1 3.98Å; F110-Y117 HydrophobicContact CZ-CD2 4.12Å; F110-Y117 AromaticContact CZ-CG 3.62Å; F110-Y117 HydrophobicContact CZ-CG 3.62Å; F110-Y117 PolarHBondContact N-O 2.92Å; F110-Y117 VanDerWaalsContact N-O 3.1Å; F110-Y117 WeakPolarHBondContact O-CB 3.28Å; F110-Y117 PolarHBondContact O-N 3.43Å; F110-V119 HydrophobicContact CE1-CG2 3.83Å; F110-F350 WeakPolarHBondContact O-CE1 3.3Å
111K97.7Very high97.9Very high43 Ų4323.5 Ų23.519%0.18711%0.112CC..EExtended strand (participates in β ladder)trans-138.2153175.463.8-160.6174.5-150.30110.3N115 L116 F347 S348 F350K111-N115 WeakPolarHBondContact CA-O 3.35Å; K111-L116 HydrophobicContact CB-CD2 3.75Å; K111-L116 HydrophobicContact CD-CD2 4.44Å; K111-F347 PolarHBondContact NZ-O 3.08Å; K111-S348 PolarHBondContact NZ-O 3.31Å; K111-F350 HydrophobicContact CB-CD1 4.32Å; K111-F350 HydrophobicContact CD-CB 4.12Å; K111-F350 HydrophobicContact CD-CD1 4.37Å; K111-F350 PolarHBondContact NZ-O 3.48Å
112D97.4Very high98Very high31 Ų3123.1 Ų23.117%0.16611%0.107CC..  trans-123.7-162.2170.971.115.3000110.3K76 S114 N115 Y117 I337K76-D112 WeakPolarHBondContact CE-O 3.24Å; K76-D112 PolarHBondContact NZ-O 3Å; D112-S114 PolarHBondContact O-N 3Å; D112-S114 PolarHBondContact OD1-N 3.24Å; D112-N115 PolarHBondContact N-O 2.87Å; D112-N115 VanDerWaalsContact N-O 3.07Å; D112-N115 PolarHBondContact OD1-N 3Å; D112-Y117 HydrophobicContact CB-CE2 4.21Å; D112-Y117 WeakPolarHBondContact OD2-CE2 3.27Å; D112-Y117 PolarHBondContact OD2-OH 3.32Å; D112-I337 HydrophobicContact CB-CG2 4.33Å; D112-I337 WeakPolarHBondContact OD2-CD1 3.5Å; D112-I337 VanDerWaalsContact OD2-CG1 3.26Å; D112-I337 WeakPolarHBondContact OD2-CG1 3.28Å
113N98Very high97.9Very high51 Ų5123.3 Ų23.327%0.27311%0.108SC..SBendtrans-62-27.9-180-75.6-16.2000114.3I337 A338 K342N113-I337 HydrophobicContact CB-CG2 4.12Å; N113-A338 WeakPolarHBondContact CB-O 3.38Å; N113-A338 PolarHBondContact ND2-O 3.01Å; N113-K342 VanDerWaalsContact O-CB 3.31Å; N113-K342 WeakPolarHBondContact O-CB 3.18Å; N113-K342 WeakPolarHBondContact O-CG 3.27Å; N113-K342 PolarHBondContact O-N 2.82Å
114S97.7Very high97.8Very high16 Ų1623.5 Ų23.511%0.11211%0.109CC..SBendtrans-116.7-32.2-171-79.20000114.1K76 D112 A338K76-S114 WeakPolarHBondContact CB-O 3.31Å; K76-S114 WeakPolarHBondContact CG-O 3.48Å; K76-S114 PolarHBondContact N-O 3.18Å; D112-S114 PolarHBondContact O-N 3Å; D112-S114 PolarHBondContact OD1-N 3.24Å; S114-A338 WeakPolarHBondContact OG-CB 3.42Å; S114-A338 PolarHBondContact OG-N 2.81Å
115N98Very high97.7Very high10 Ų1023.2 Ų23.25%0.05311%0.107CC..EExtended strand (participates in β ladder)trans-130.9158.6-162.1-53-66000112.3I73 L74 K76 K111 D112 Y117 R336I73-N115 HydrophobicContact CG2-CB 4.06Å; L74-N115 CarbonylContact O-C 3.58Å; L74-N115 WeakPolarHBondContact O-CA 3.34Å; K76-N115 WeakPolarHBondContact CE-O 3.41Å; K111-N115 WeakPolarHBondContact CA-O 3.35Å; D112-N115 PolarHBondContact N-O 2.87Å; D112-N115 VanDerWaalsContact N-O 3.07Å; D112-N115 PolarHBondContact OD1-N 3Å; N115-Y117 HydrophobicContact CB-CD2 4.39Å; N115-Y117 HydrophobicContact CB-CE1 4.28Å; N115-Y117 HydrophobicContact CB-CE2 3.59Å; N115-Y117 WeakPolarHBondContact CB-OH 3.42Å; N115-Y117 PolarHBondContact ND2-OH 3.05Å; N115-Y117 VanDerWaalsContact ND2-OH 3.11Å; N115-R336 PolarHBondContact ND2-O 2.86Å
116L97.9Very high97.5Very high0 Ų017.3 Ų17.30%09%0.086CC..EExtended strand (participates in β ladder)trans-110.4139.8167.9-50.4171.3000108.2I73 L74 K76 T88 K111 F347 F350I73-L116 WeakPolarHBondContact CA-O 3.28Å; L74-L116 HydrophobicContact CB-CB 4.26Å; L74-L116 PolarHBondContact N-O 3.18Å; L74-L116 PolarHBondContact O-N 3.4Å; K76-L116 HydrophobicContact CD-CD2 4.26Å; K76-L116 HydrophobicContact CG-CD1 4.46Å; K76-L116 HydrophobicContact CG-CD2 3.88Å; K76-L116 HydrophobicContact CG-CG 3.83Å; T88-L116 HydrophobicContact CG2-CD1 3.62Å; K111-L116 HydrophobicContact CB-CD2 3.75Å; K111-L116 HydrophobicContact CD-CD2 4.44Å; L116-F347 HydrophobicContact CD1-CD1 3.52Å; L116-F347 HydrophobicContact CD1-CD2 4.4Å; L116-F347 HydrophobicContact CD1-CE1 3.53Å; L116-F347 HydrophobicContact CD1-CE2 4.4Å; L116-F347 HydrophobicContact CD1-CG 3.98Å; L116-F347 HydrophobicContact CD1-CZ 3.99Å; L116-F347 HydrophobicContact CD2-CB 3.95Å; L116-F347 HydrophobicContact CD2-CD1 4.23Å; L116-F347 HydrophobicContact CD2-CD2 4.4Å; L116-F347 HydrophobicContact CD2-CG 3.94Å; L116-F347 HydrophobicContact CG-CD1 4.48Å; L116-F350 HydrophobicContact CB-CD1 4.41Å; L116-F350 HydrophobicContact CB-CD2 4.3Å; L116-F350 HydrophobicContact CB-CE1 3.93Å; L116-F350 HydrophobicContact CB-CE2 3.82Å; L116-F350 HydrophobicContact CB-CZ 3.61Å; L116-F350 HydrophobicContact CD1-CD2 3.87Å; L116-F350 HydrophobicContact CD1-CE2 3.92Å; L116-F350 HydrophobicContact CD1-CG 4.47Å; L116-F350 HydrophobicContact CD2-CB 4.25Å; L116-F350 HydrophobicContact CD2-CD1 3.94Å; L116-F350 HydrophobicContact CD2-CD2 4.04Å; L116-F350 HydrophobicContact CD2-CE1 4.31Å; L116-F350 HydrophobicContact CD2-CE2 4.4Å; L116-F350 HydrophobicContact CD2-CG 3.79Å; L116-F350 HydrophobicContact CG-CD2 4.28Å; L116-F350 HydrophobicContact CG-CE2 4.25Å; L116-F350 HydrophobicContact CG-CZ 4.44Å
117Y98.2Very high97.4Very high0 Ų019.6 Ų19.60%010%0.096CC..EExtended strand (participates in β ladder)trans-124.9126.8-175-58.6-91.4000110.1L40 M71 K72 I73 H109 F110 D112 N115 L335L40-Y117 HydrophobicContact CD1-CD1 4.21Å; L40-Y117 HydrophobicContact CD1-CE1 3.69Å; L40-Y117 HydrophobicContact CD2-CE1 4.48Å; M71-Y117 HydrophobicContact CG-CD1 4.19Å; M71-Y117 HydrophobicContact SD-CD1 3.73Å; M71-Y117 HydrophobicContact SD-CE1 4.26Å; K72-Y117 WeakPolarHBondContact O-CA 3.45Å; I73-Y117 HydrophobicContact CB-CD1 4.47Å; I73-Y117 HydrophobicContact CB-CE1 4.41Å; I73-Y117 HydrophobicContact CD1-CE1 4.37Å; I73-Y117 HydrophobicContact CG1-CD1 3.98Å; I73-Y117 HydrophobicContact CG1-CE1 4.04Å; I73-Y117 HydrophobicContact CG2-CD1 4.18Å; I73-Y117 HydrophobicContact CG2-CE1 3.72Å; H109-Y117 WeakPolarHBondContact CA-O 3.4Å; H109-Y117 WeakPolarHBondContact CB-O 3.46Å; F110-Y117 AromaticContact CD2-CD2 3.38Å; F110-Y117 HydrophobicContact CD2-CD2 3.38Å; F110-Y117 HydrophobicContact CD2-CE2 4.13Å; F110-Y117 AromaticContact CD2-CG 3.71Å; F110-Y117 HydrophobicContact CD2-CG 3.71Å; F110-Y117 HydrophobicContact CE1-CG 4.4Å; F110-Y117 AromaticContact CE2-CD1 3.8Å; F110-Y117 HydrophobicContact CE2-CD1 3.8Å; F110-Y117 AromaticContact CE2-CD2 3.23Å; F110-Y117 HydrophobicContact CE2-CD2 3.23Å; F110-Y117 HydrophobicContact CE2-CE1 4.33Å; F110-Y117 AromaticContact CE2-CE2 3.83Å; F110-Y117 HydrophobicContact CE2-CE2 3.83Å; F110-Y117 AromaticContact CE2-CG 3.22Å; F110-Y117 HydrophobicContact CE2-CG 3.22Å; F110-Y117 HydrophobicContact CG-CD2 4.34Å; F110-Y117 HydrophobicContact CG-CG 4.46Å; F110-Y117 AromaticContact CZ-CD1 3.98Å; F110-Y117 HydrophobicContact CZ-CD1 3.98Å; F110-Y117 HydrophobicContact CZ-CD2 4.12Å; F110-Y117 AromaticContact CZ-CG 3.62Å; F110-Y117 HydrophobicContact CZ-CG 3.62Å; F110-Y117 PolarHBondContact N-O 2.92Å; F110-Y117 VanDerWaalsContact N-O 3.1Å; F110-Y117 WeakPolarHBondContact O-CB 3.28Å; F110-Y117 PolarHBondContact O-N 3.43Å; D112-Y117 HydrophobicContact CB-CE2 4.21Å; D112-Y117 WeakPolarHBondContact OD2-CE2 3.27Å; D112-Y117 PolarHBondContact OD2-OH 3.32Å; N115-Y117 HydrophobicContact CB-CD2 4.39Å; N115-Y117 HydrophobicContact CB-CE1 4.28Å; N115-Y117 HydrophobicContact CB-CE2 3.59Å; N115-Y117 WeakPolarHBondContact CB-OH 3.42Å; N115-Y117 PolarHBondContact ND2-OH 3.05Å; N115-Y117 VanDerWaalsContact ND2-OH 3.11Å; Y117-L335 HydrophobicContact CE1-CD2 4.12Å
118M98.2Very high97.4Very high1 Ų117.6 Ų17.61%0.0059%0.085CC..EExtended strand (participates in β ladder)trans-121.8114.6168.6-69.2-179.9-74.200108.1M71 K72 L74 E91 K92 L95 L106 F350M71-M118 CarbonylContact C-O 3.6Å; M71-M118 WeakPolarHBondContact CA-O 3.44Å; K72-M118 HydrophobicContact CB-CB 4.32Å; K72-M118 HydrophobicContact CD-CE 3.86Å; K72-M118 HydrophobicContact CG-CE 4.15Å; K72-M118 PolarHBondContact N-O 3.08Å; K72-M118 PolarHBondContact O-N 3.42Å; L74-M118 HydrophobicContact CD1-CE 3.72Å; L74-M118 HydrophobicContact CG-CE 4.47Å; E91-M118 HydrophobicContact CG-CE 4.39Å; E91-M118 HydrophobicContact CG-SD 4.23Å; K92-M118 HydrophobicContact CB-SD 3.93Å; K92-M118 HydrophobicContact CG-CG 4.26Å; K92-M118 HydrophobicContact CG-SD 4.23Å; L95-M118 HydrophobicContact CD1-SD 4.34Å; L106-M118 HydrophobicContact CD1-CB 3.73Å; L106-M118 HydrophobicContact CD1-CG 4.26Å; M118-F350 HydrophobicContact CG-CZ 3.92Å
119V98.4Very high97.3Very high0 Ų017.8 Ų17.80%09%0.087CC..EExtended strand (participates in β ladder)trans-100.798.7-177-172.10000108.4F43 Y69 M71 D107 Y108 F110F43-V119 HydrophobicContact CE1-CG1 3.86Å; F43-V119 HydrophobicContact CE2-CG2 4.26Å; F43-V119 HydrophobicContact CZ-CG1 4.03Å; F43-V119 HydrophobicContact CZ-CG2 4.11Å; Y69-V119 VanDerWaalsContact CB-CG1 3.43Å; Y69-V119 HydrophobicContact CD1-CG1 3.85Å; Y69-V119 HydrophobicContact CD2-CG1 4.39Å; Y69-V119 HydrophobicContact CG-CG1 3.64Å; M71-V119 HydrophobicContact CE-CG2 3.82Å; M71-V119 HydrophobicContact CG-CG2 4.2Å; D107-V119 PolarHBondContact N-O 2.92Å; Y108-V119 HydrophobicContact CD2-CB 4.07Å; Y108-V119 HydrophobicContact CD2-CG1 3.89Å; Y108-V119 HydrophobicContact CG-CB 4.47Å; Y108-V119 PolarHBondContact N-O 3.46Å; Y108-V119 WeakPolarHBondContact O-CB 3.46Å; Y108-V119 PolarHBondContact O-N 3.12Å; F110-V119 HydrophobicContact CE1-CG2 3.83Å
120L98.2Very high97.1Very high10 Ų1019.3 Ų19.35%0.05210%0.099CC..EExtended strand (participates in β ladder)trans-93155.7-174.8-60.3150.1000110.2Y69 A70 K72 L95 V104 R105 L106 F122Y69-L120 CarbonylContact C-O 3.4Å; Y69-L120 WeakPolarHBondContact CA-O 3.35Å; Y69-L120 WeakPolarHBondContact CB-O 3.06Å; Y69-L120 WeakPolarHBondContact CD1-O 3.41Å; A70-L120 HydrophobicContact CB-CB 4.38Å; A70-L120 PolarHBondContact N-O 3.05Å; A70-L120 WeakPolarHBondContact O-CB 3.45Å; A70-L120 PolarHBondContact O-N 3.17Å; K72-L120 HydrophobicContact CB-CD1 4.23Å; L95-L120 HydrophobicContact CD1-CD2 4.1Å; V104-L120 HydrophobicContact CG1-CD2 4Å; V104-L120 HydrophobicContact CG2-CB 4.08Å; V104-L120 HydrophobicContact CG2-CD2 4.18Å; R105-L120 CarbonylContact O-C 3.59Å; R105-L120 VanDerWaalsContact O-CA 3.27Å; R105-L120 WeakPolarHBondContact O-CA 3.39Å; L106-L120 HydrophobicContact CB-CD2 4.3Å; L106-L120 HydrophobicContact CD1-CD2 4.18Å; L106-L120 HydrophobicContact CD1-CG 4.42Å; L120-F122 PolarHBondContact O-N 2.81Å
121E97.5Very high96.9Very high36 Ų3619.2 Ų19.217%0.16810%0.098CC..EExtended strand (participates in β ladder)trans-54.9137.3167.471.4-178.7134.900110.3V104 R105 V123 K181V104-E121 VanDerWaalsContact CA-OE1 3.31Å; V104-E121 WeakPolarHBondContact CA-OE1 3.39Å; V104-E121 HydrophobicContact CG2-CG 3.72Å; R105-E121 HydrophobicContact CB-CB 4.5Å; R105-E121 HydrophobicContact CB-CG 4.34Å; R105-E121 PolarHBondContact N-OE1 3.49Å; R105-E121 PolarHBondContact O-N 2.74Å; E121-V123 HydrophobicContact CG-CG2 4.18Å; E121-K181 VanDerWaalsContact CD-NZ 3.29Å; E121-K181 WeakPolarHBondContact OE1-CE 3.48Å; E121-K181 IonicContact OE1-NZ 2.9Å; E121-K181 PolarHBondContact OE1-NZ 3.49Å; E121-K181 IonicContact OE2-NZ 3.52Å; E121-K181 PolarHBondContact OE2-NZ 2.87Å
122F97.8Very high96.9Very high27 Ų2717.2 Ų17.212%0.1189%0.089CC..PPolyproline II helixtrans-83.5122.4176.8177.6-127.4000110.7L49 L59 A70 L120 N124 A321 D323 A324 F327L49-F122 HydrophobicContact CD1-CD2 3.82Å; L49-F122 HydrophobicContact CD1-CE2 3.6Å; L49-F122 HydrophobicContact CD2-CE2 4.04Å; L49-F122 HydrophobicContact CG-CE2 4.49Å; L59-F122 HydrophobicContact CD1-CB 4.4Å; L59-F122 HydrophobicContact CD1-CD1 3.63Å; L59-F122 HydrophobicContact CD1-CD2 3.91Å; L59-F122 HydrophobicContact CD1-CE1 3.76Å; L59-F122 HydrophobicContact CD1-CE2 4.05Å; L59-F122 HydrophobicContact CD1-CG 3.71Å; L59-F122 HydrophobicContact CD1-CZ 3.98Å; A70-F122 HydrophobicContact CB-CD2 4.42Å; L120-F122 PolarHBondContact O-N 2.81Å; F122-N124 HydrophobicContact CD1-CB 4.21Å; F122-N124 HydrophobicContact CE1-CB 3.59Å; F122-N124 HydrophobicContact CZ-CB 3.88Å; F122-A321 WeakPolarHBondContact CD1-O 3.42Å; F122-A321 VanDerWaalsContact CE1-O 3.31Å; F122-A321 WeakPolarHBondContact CE1-O 3.38Å; F122-D323 WeakPolarHBondContact CZ-O 3.44Å; F122-A324 HydrophobicContact CZ-CB 4.39Å; F122-F327 HydrophobicContact CE2-CD2 4.39Å; F122-F327 AromaticContact CE2-CE2 3.63Å; F122-F327 HydrophobicContact CE2-CE2 3.63Å; F122-F327 AromaticContact CE2-CZ 3.97Å; F122-F327 HydrophobicContact CE2-CZ 3.97Å; F122-F327 AromaticContact CZ-CE2 3.93Å; F122-F327 HydrophobicContact CZ-CE2 3.93Å
123V97.2Very high96.9Very high5 Ų521 Ų213%0.0310%0.102CC..  trans-108.998.5179.1-173.20000108.8E121 G125 L173 I174 D175 K181 F327E121-V123 HydrophobicContact CG-CG2 4.18Å; V123-G125 PolarHBondContact O-N 2.87Å; V123-L173 HydrophobicContact CB-CB 3.96Å; V123-L173 HydrophobicContact CB-CD1 3.84Å; V123-L173 HydrophobicContact CG1-CB 3.62Å; V123-L173 HydrophobicContact CG1-CD1 4.46Å; V123-L173 HydrophobicContact CG2-CD1 4.22Å; V123-I174 WeakPolarHBondContact CG1-O 3.45Å; V123-D175 HydrophobicContact CG1-CB 3.87Å; V123-K181 HydrophobicContact CG1-CB 4.29Å; V123-K181 HydrophobicContact CG1-CG 4.25Å; V123-K181 HydrophobicContact CG2-CB 3.93Å; V123-K181 HydrophobicContact CG2-CG 3.87Å; V123-F327 VanDerWaalsContact O-CZ 3.29Å; V123-F327 WeakPolarHBondContact O-CZ 3.45Å
124N94.8Very high96.7Very high7 Ų727.2 Ų27.24%0.03712%0.121CC..THydrogen-bonded Turntrans-78.3-8.2-165.561.1-8.7000116.3F122 G126 Q176 C318 G320 D323 N326F122-N124 HydrophobicContact CD1-CB 4.21Å; F122-N124 HydrophobicContact CE1-CB 3.59Å; F122-N124 HydrophobicContact CZ-CB 3.88Å; N124-G126 VanDerWaalsContact C-N 3.33Å; N124-Q176 WeakPolarHBondContact OD1-CB 3.41Å; N124-Q176 PolarHBondContact OD1-N 3.39Å; N124-C318 VanDerWaalsContact CG-SG 3.59Å; N124-G320 PolarHBondContact ND2-O 2.91Å; N124-D323 WeakPolarHBondContact CB-O 3.31Å; N124-N326 PolarHBondContact O-ND2 3.42Å
125G96Very high96.6Very high0 Ų030.7 Ų30.70%014%0.137CC..THydrogen-bonded Turntrans-83.8-4.1-178.700000114.8V123 H131 I174V123-G125 PolarHBondContact O-N 2.87Å; G125-H131 PolarHBondContact O-NE2 2.76Å; G125-I174 CarbonylContact C-O 3.49Å; G125-I174 WeakPolarHBondContact CA-O 3.35Å; G125-I174 PolarHBondContact N-O 3.15Å; G125-I174 VanDerWaalsContact N-O 3.07Å
126G94.3Very high96.6Very high1 Ų132 Ų321%0.0115%0.153CC..  trans75.4-171.8176.900000114.2N124 L173 I174N124-G126 VanDerWaalsContact C-N 3.33Å; G126-L173 CarbonylContact O-C 3.57Å; G126-L173 WeakPolarHBondContact O-CA 3.41Å; G126-I174 PolarHBondContact O-N 3.38Å
127E95.1Very high96.6Very high63 Ų6337.7 Ų37.729%0.29418%0.175SC..BIsolated β-bridgetrans-77140.6-173.1-60.6174.4-172.100112.9F129 S130 H131 L173E127-F129 HydrophobicContact CB-CB 4.26Å; E127-F129 PolarHBondContact O-N 3.45Å; E127-S130 PolarHBondContact O-N 2.89Å; E127-H131 PolarHBondContact O-CD2 3.5Å; E127-H131 PolarHBondContact O-N 2.89Å; E127-L173 HydrophobicContact CG-CD2 3.89Å
128M97.7Very high96.6Very high0 Ų038 Ų380%018%0.176CC..Hα-helixtrans-56.4-35.6168.8176.1-179.4-70.400111S130 H131 L132 F138 Y146 P169 I172 I174 L227 M231M128-S130 PolarHBondContact O-N 3.34Å; M128-H131 PolarHBondContact O-N 2.91Å; M128-L132 VanDerWaalsContact O-CB 3.27Å; M128-L132 WeakPolarHBondContact O-CB 3.39Å; M128-L132 PolarHBondContact O-N 3.4Å; M128-F138 HydrophobicContact CG-CE2 4.05Å; M128-F138 HydrophobicContact CG-CZ 4.42Å; M128-F138 HydrophobicContact SD-CE2 4.41Å; M128-Y146 HydrophobicContact CE-CD1 4.11Å; M128-Y146 HydrophobicContact CE-CD2 3.44Å; M128-Y146 VanDerWaalsContact CE-CD2 3.44Å; M128-Y146 HydrophobicContact CE-CE2 3.92Å; M128-Y146 HydrophobicContact CE-CG 3.53Å; M128-Y146 HydrophobicContact SD-CD2 4.5Å; M128-P169 HydrophobicContact CB-CB 4.46Å; M128-P169 HydrophobicContact CG-CB 4.35Å; M128-I172 HydrophobicContact CB-CB 4.11Å; M128-I172 HydrophobicContact CB-CG2 4.22Å; M128-I172 WeakPolarHBondContact CB-O 3.27Å; M128-I172 HydrophobicContact CE-CB 4.4Å; M128-I172 HydrophobicContact CE-CD1 4.45Å; M128-I172 HydrophobicContact CE-CG2 3.66Å; M128-I172 PolarHBondContact N-O 3.48Å; M128-I172 HydrophobicContact SD-CB 4.5Å; M128-I172 HydrophobicContact SD-CD1 4.21Å; M128-I172 HydrophobicContact SD-CG2 4.37Å; M128-I174 HydrophobicContact CB-CD1 4.49Å; M128-L227 HydrophobicContact SD-CD1 4.41Å; M128-M231 HydrophobicContact CE-SD 4.18Å; M128-M231 HydrophobicContact SD-CG 4.17Å; M128-M231 HydrophobicContact SD-SD 3.75Å
129F96.1Very high96.6Very high58 Ų5841 Ų4125%0.25420%0.197SC..Hα-helixtrans-51.7-54.7175.8-176.9-95.6000112E127 H131 L132 R133 P169 E170E127-F129 HydrophobicContact CB-CB 4.26Å; E127-F129 PolarHBondContact O-N 3.45Å; F129-H131 VanDerWaalsContact C-N 3.33Å; F129-H131 PolarHBondContact O-N 2.9Å; F129-L132 PolarHBondContact O-N 2.89Å; F129-R133 HydrophobicContact CD1-CG 4.16Å; F129-R133 HydrophobicContact CD2-CG 4.47Å; F129-R133 HydrophobicContact CE1-CG 3.84Å; F129-R133 HydrophobicContact CE2-CG 4.2Å; F129-R133 HydrophobicContact CG-CG 4.46Å; F129-R133 HydrophobicContact CZ-CG 3.86Å; F129-R133 WeakPolarHBondContact O-CB 3.4Å; F129-R133 VanDerWaalsContact O-CG 3.3Å; F129-R133 WeakPolarHBondContact O-CG 3.36Å; F129-R133 PolarHBondContact O-N 3.46Å; F129-P169 HydrophobicContact CB-CB 3.84Å; F129-P169 HydrophobicContact CD2-CB 4.2Å; F129-P169 PolarHBondContact N-O 3.42Å; F129-E170 HydrophobicContact CB-CG 3.97Å; F129-E170 HydrophobicContact CD2-CG 3.92Å; F129-E170 HydrophobicContact CG-CG 3.9Å
130S93.8Very high96.6Very high40 Ų4042.9 Ų42.928%0.2821%0.206SC..Hα-helixtrans-60.6-40.7-178.8-65.30000112.3E127 M128 R134E127-S130 PolarHBondContact O-N 2.89Å; M128-S130 PolarHBondContact O-N 3.34Å; S130-R134 VanDerWaalsContact O-CB 3.28Å; S130-R134 WeakPolarHBondContact O-CB 3.15Å; S130-R134 PolarHBondContact O-N 2.83Å; S130-R134 VanDerWaalsContact O-N 3.09Å
131H95.2Very high96.6Very high5 Ų546.1 Ų46.12%0.02323%0.23CC..Hα-helixtrans-68.7-44176.3-66.7-61.7000112.5G125 E127 M128 F129 R134 I135 F138 F314G125-H131 PolarHBondContact O-NE2 2.76Å; E127-H131 PolarHBondContact O-CD2 3.5Å; E127-H131 PolarHBondContact O-N 2.89Å; M128-H131 PolarHBondContact O-N 2.91Å; F129-H131 VanDerWaalsContact C-N 3.33Å; F129-H131 PolarHBondContact O-N 2.9Å; H131-R134 PolarHBondContact O-N 2.85Å; H131-I135 WeakPolarHBondContact O-CB 3.39Å; H131-I135 WeakPolarHBondContact O-CG1 3.39Å; H131-I135 PolarHBondContact O-N 2.85Å; H131-F138 HydrophobicContact CB-CZ 4.47Å; H131-F314 AromaticContact CD2-CE1 3.97Å; H131-F314 AromaticContact CE1-CE1 3.65Å; H131-F314 AromaticContact CE1-CZ 3.46Å; H131-F314 VanDerWaalsContact CE1-CZ 3.46Å; H131-F314 WeakPolarHBondContact CE1-CZ 3.5Å; H131-F314 AromaticContact CG-CE1 3.8Å; H131-F314 AromaticContact CG-CZ 3.99Å; H131-F314 AromaticContact ND1-CE1 3.61Å; H131-F314 AromaticContact ND1-CZ 3.33Å; H131-F314 VanDerWaalsContact ND1-CZ 3.33Å; H131-F314 WeakPolarHBondContact ND1-CZ 3.27Å; H131-F314 AromaticContact NE2-CE1 3.86Å
132L97.3Very high96.7Very high0 Ų045.1 Ų45.10%023%0.225CC..Hα-helixtrans-62.3-45.5179179.460.2000111M128 F129 R134 I135 G136 F138 E230M128-L132 VanDerWaalsContact O-CB 3.27Å; M128-L132 WeakPolarHBondContact O-CB 3.39Å; M128-L132 PolarHBondContact O-N 3.4Å; F129-L132 PolarHBondContact O-N 2.89Å; L132-R134 PolarHBondContact O-N 3.44Å; L132-I135 PolarHBondContact O-N 2.89Å; L132-G136 CarbonylContact O-C 3.41Å; L132-G136 WeakPolarHBondContact O-CA 3.16Å; L132-G136 PolarHBondContact O-N 3.23Å; L132-F138 HydrophobicContact CB-CE1 4.34Å; L132-F138 HydrophobicContact CB-CE2 4.22Å; L132-F138 HydrophobicContact CB-CZ 3.83Å; L132-F138 HydrophobicContact CD1-CD1 4.09Å; L132-F138 HydrophobicContact CD1-CD2 4.03Å; L132-F138 HydrophobicContact CD1-CE1 4.07Å; L132-F138 HydrophobicContact CD1-CE2 4.01Å; L132-F138 HydrophobicContact CD1-CG 4.05Å; L132-F138 HydrophobicContact CD1-CZ 4.04Å; L132-E230 HydrophobicContact CD2-CG 3.96Å
133R96.7Very high96.7Very high112 Ų11243.9 Ų43.942%0.42322%0.219SC..Hα-helixtrans-63.8-40.3177.6-68.5-68.4173.4-141.9-10112.2F129 E230 G234F129-R133 HydrophobicContact CD1-CG 4.16Å; F129-R133 HydrophobicContact CD2-CG 4.47Å; F129-R133 HydrophobicContact CE1-CG 3.84Å; F129-R133 HydrophobicContact CE2-CG 4.2Å; F129-R133 HydrophobicContact CG-CG 4.46Å; F129-R133 HydrophobicContact CZ-CG 3.86Å; F129-R133 WeakPolarHBondContact O-CB 3.4Å; F129-R133 VanDerWaalsContact O-CG 3.3Å; F129-R133 WeakPolarHBondContact O-CG 3.36Å; F129-R133 PolarHBondContact O-N 3.46Å; R133-E230 IonicContact CZ-OE1 3.71Å; R133-E230 IonicContact NH2-OE1 2.73Å; R133-E230 PolarHBondContact NH2-OE1 3.34Å; R133-G234 PolarHBondContact NH1-O 3.01Å
134R95Very high96.8Very high181 Ų18145.7 Ų45.768%0.68323%0.226SC*.Hα-helixtrans-66.5-41.7178.1-172.3-175-59.9163.80.3112.6S130 H131 L132S130-R134 VanDerWaalsContact O-CB 3.28Å; S130-R134 WeakPolarHBondContact O-CB 3.15Å; S130-R134 PolarHBondContact O-N 2.83Å; S130-R134 VanDerWaalsContact O-N 3.09Å; H131-R134 PolarHBondContact O-N 2.85Å; L132-R134 PolarHBondContact O-N 3.44Å
135I95.5Very high97Very high88 Ų8846.1 Ų46.145%0.45123%0.228SC..Hα-helixtrans-81.3-23.3-178.9-66.7165.3000111.2H131 L132 R137 F138H131-I135 WeakPolarHBondContact O-CB 3.39Å; H131-I135 WeakPolarHBondContact O-CG1 3.39Å; H131-I135 PolarHBondContact O-N 2.85Å; L132-I135 PolarHBondContact O-N 2.89Å; I135-R137 VanDerWaalsContact C-N 3.34Å; I135-R137 WeakPolarHBondContact CG2-O 3.32Å; I135-R137 PolarHBondContact O-N 3.32Å; I135-F138 HydrophobicContact CB-CE1 4.4Å; I135-F138 HydrophobicContact CD1-CD1 4.45Å; I135-F138 HydrophobicContact CD1-CE1 3.86Å; I135-F138 HydrophobicContact CG2-CD1 4.38Å
136G97.9Very high97.1Very high38 Ų3846.1 Ų46.139%0.39223%0.228SC..SBendtrans92.3-55-17700000111.9L132 G234L132-G136 CarbonylContact O-C 3.41Å; L132-G136 WeakPolarHBondContact O-CA 3.16Å; L132-G136 PolarHBondContact O-N 3.23Å; G136-G234 WeakPolarHBondContact O-CA 3.49Å
137R97.9Very high97.3Very high120 Ų12046.1 Ų46.145%0.45323%0.227SC..SBendtrans-157.3154.9172.471-174.8-177.5-167.3-0.2111.2I135 A232 H260I135-R137 VanDerWaalsContact C-N 3.34Å; I135-R137 WeakPolarHBondContact CG2-O 3.32Å; I135-R137 PolarHBondContact O-N 3.32Å; R137-A232 WeakPolarHBondContact CD-O 3.24Å; R137-H260 PolarHBondContact NH1-CD2 3.19Å; R137-H260 PolarHBondContact NH1-CE1 3.01Å; R137-H260 PolarHBondContact NH1-ND1 3.34Å; R137-H260 PolarHBondContact NH1-NE2 2.72Å
138F98.4Very high97.5Very high5 Ų543.1 Ų43.12%0.02221%0.213CC..  trans-86.9152.2171.7-60.7-26.3000111.6M128 H131 L132 I135 H142 S143 Y146 M231M128-F138 HydrophobicContact CG-CE2 4.05Å; M128-F138 HydrophobicContact CG-CZ 4.42Å; M128-F138 HydrophobicContact SD-CE2 4.41Å; H131-F138 HydrophobicContact CB-CZ 4.47Å; L132-F138 HydrophobicContact CB-CE1 4.34Å; L132-F138 HydrophobicContact CB-CE2 4.22Å; L132-F138 HydrophobicContact CB-CZ 3.83Å; L132-F138 HydrophobicContact CD1-CD1 4.09Å; L132-F138 HydrophobicContact CD1-CD2 4.03Å; L132-F138 HydrophobicContact CD1-CE1 4.07Å; L132-F138 HydrophobicContact CD1-CE2 4.01Å; L132-F138 HydrophobicContact CD1-CG 4.05Å; L132-F138 HydrophobicContact CD1-CZ 4.04Å; I135-F138 HydrophobicContact CB-CE1 4.4Å; I135-F138 HydrophobicContact CD1-CD1 4.45Å; I135-F138 HydrophobicContact CD1-CE1 3.86Å; I135-F138 HydrophobicContact CG2-CD1 4.38Å; F138-H142 HydrophobicContact CB-CB 3.99Å; F138-H142 AromaticContact CD1-CE1 3.52Å; F138-H142 AromaticContact CD1-ND1 3.52Å; F138-H142 AromaticContact CE1-CE1 3.78Å; F138-H142 AromaticContact CG-CE1 3.86Å; F138-H142 AromaticContact CG-CG 3.9Å; F138-H142 AromaticContact CG-ND1 3.65Å; F138-S143 WeakPolarHBondContact CB-OG 3.42Å; F138-Y146 HydrophobicContact CD2-CD2 4.06Å; F138-Y146 HydrophobicContact CD2-CE2 4.03Å; F138-Y146 AromaticContact CE2-CD2 3.93Å; F138-Y146 HydrophobicContact CE2-CD2 3.93Å; F138-Y146 AromaticContact CE2-CE2 3.65Å; F138-Y146 HydrophobicContact CE2-CE2 3.65Å; F138-Y146 HydrophobicContact CZ-CE2 4.21Å; F138-M231 HydrophobicContact CD2-CB 3.96Å; F138-M231 HydrophobicContact CD2-CG 3.99Å; F138-M231 HydrophobicContact CD2-SD 4.2Å; F138-M231 HydrophobicContact CE2-CG 4.31Å; F138-M231 HydrophobicContact CE2-SD 4.47Å; F138-M231 PolarHBondContact N-O 2.79Å
139S98.4Very high97.6Very high65 Ų6543.1 Ų43.146%0.45521%0.213SC..  trans-66.9160.1168.569.10000110.2S141 H142 S143S139-S141 VanDerWaalsContact C-N 3.26Å; S139-S141 PolarHBondContact O-N 3.32Å; S139-S141 PolarHBondContact OG-OG 3.49Å; S139-S141 VanDerWaalsContact OG-OG 3.12Å; S139-H142 WeakPolarHBondContact O-CB 3.27Å; S139-H142 PolarHBondContact O-N 2.97Å; S139-H142 VanDerWaalsContact O-N 3.12Å; S139-H142 VanDerWaalsContact OG-CB 3.31Å; S139-H142 WeakPolarHBondContact OG-CB 3.48Å; S139-H142 PolarHBondContact OG-N 3.43Å; S139-S143 PolarHBondContact O-N 2.86Å; S139-S143 PolarHBondContact O-OG 2.7Å
140E98.6Very high97.7Very high39 Ų3940.3 Ų40.318%0.18220%0.201CC..Hα-helixtrans-60.8-35.1179.1-69.1-162.6-154.200113.2R144 S262 L265 W296E140-R144 WeakPolarHBondContact O-CB 3.46Å; E140-R144 PolarHBondContact O-N 2.74Å; E140-S262 VanDerWaalsContact OE1-CB 3.27Å; E140-S262 WeakPolarHBondContact OE1-CB 3.27Å; E140-S262 PolarHBondContact OE1-N 3.13Å; E140-S262 PolarHBondContact OE1-OG 3.12Å; E140-S262 WeakPolarHBondContact OE2-CB 3.46Å; E140-S262 PolarHBondContact OE2-OG 3.43Å; E140-L265 HydrophobicContact CG-CD2 3.88Å; E140-W296 HydrophobicContact CB-CZ2 4.41Å; E140-W296 WeakPolarHBondContact O-CZ2 3.3Å; E140-W296 PolarHBondContact OE2-NE1 2.86Å
141S98.3Very high97.9Very high78 Ų7838.4 Ų38.455%0.54519%0.188SC..Hα-helixtrans-66.2-39.7175.552.90000111.9S139 R144 F145S139-S141 VanDerWaalsContact C-N 3.26Å; S139-S141 PolarHBondContact O-N 3.32Å; S139-S141 PolarHBondContact OG-OG 3.49Å; S139-S141 VanDerWaalsContact OG-OG 3.12Å; S141-R144 PolarHBondContact O-N 3.4Å; S141-F145 PolarHBondContact O-N 3.14Å
142H98.3Very high98.1Very high16 Ų1638.7 Ų38.77%0.07419%0.189CC..Hα-helixtrans-66.7-48.9175.8-174.3173.5000111.4F138 S139 R144 F145 Y146 P313F138-H142 HydrophobicContact CB-CB 3.99Å; F138-H142 AromaticContact CD1-CE1 3.52Å; F138-H142 AromaticContact CD1-ND1 3.52Å; F138-H142 AromaticContact CE1-CE1 3.78Å; F138-H142 AromaticContact CG-CE1 3.86Å; F138-H142 AromaticContact CG-CG 3.9Å; F138-H142 AromaticContact CG-ND1 3.65Å; S139-H142 WeakPolarHBondContact O-CB 3.27Å; S139-H142 PolarHBondContact O-N 2.97Å; S139-H142 VanDerWaalsContact O-N 3.12Å; S139-H142 VanDerWaalsContact OG-CB 3.31Å; S139-H142 WeakPolarHBondContact OG-CB 3.48Å; S139-H142 PolarHBondContact OG-N 3.43Å; H142-R144 VanDerWaalsContact C-N 3.27Å; H142-R144 PolarHBondContact O-N 3.19Å; H142-F145 WeakPolarHBondContact O-CB 3.37Å; H142-F145 PolarHBondContact O-N 2.69Å; H142-Y146 AromaticContact CD2-CD2 3.75Å; H142-Y146 AromaticContact CD2-CE2 3.26Å; H142-Y146 WeakPolarHBondContact CD2-CE2 3.35Å; H142-Y146 AromaticContact CD2-CZ 3.72Å; H142-Y146 AromaticContact NE2-CD2 3.94Å; H142-Y146 AromaticContact NE2-CE2 2.98Å; H142-Y146 WeakPolarHBondContact NE2-CE2 3.3Å; H142-Y146 AromaticContact NE2-CZ 3.26Å; H142-Y146 VanDerWaalsContact NE2-CZ 3.26Å; H142-Y146 PolarHBondContact NE2-OH 3.38Å; H142-Y146 VanDerWaalsContact NE2-OH 3.08Å; H142-Y146 PolarHBondContact O-N 2.96Å; H142-P313 HydrophobicContact CB-CB 4.12Å; H142-P313 HydrophobicContact CB-CG 4.2Å; H142-P313 WeakPolarHBondContact CD2-CG 3.4Å
143S98.7Very high98.1Very high0 Ų038.7 Ų38.70%019%0.189CC..Hα-helixtrans-57.5-39.7173.9-60.30000111.9F138 S139 Y146 A147 M231F138-S143 WeakPolarHBondContact CB-OG 3.42Å; S139-S143 PolarHBondContact O-N 2.86Å; S139-S143 PolarHBondContact O-OG 2.7Å; S143-Y146 PolarHBondContact O-N 2.95Å; S143-A147 WeakPolarHBondContact O-CB 3.01Å; S143-A147 PolarHBondContact O-N 2.91Å; S143-M231 WeakPolarHBondContact O-CE 3.48Å; S143-M231 WeakPolarHBondContact OG-CB 3.49Å
144R98.8Very high98.2Very high43 Ų4333.4 Ų33.416%0.16217%0.169CC..Hα-helixtrans-65.3-40.1177.9-173.2-173.3-53.2154.23.7112.5E140 S141 H142 A147 S148 W296 F297 T299 T300E140-R144 WeakPolarHBondContact O-CB 3.46Å; E140-R144 PolarHBondContact O-N 2.74Å; S141-R144 PolarHBondContact O-N 3.4Å; H142-R144 VanDerWaalsContact C-N 3.27Å; H142-R144 PolarHBondContact O-N 3.19Å; R144-A147 PolarHBondContact O-N 2.88Å; R144-S148 WeakPolarHBondContact O-CB 3.23Å; R144-S148 PolarHBondContact O-N 3.06Å; R144-S148 PolarHBondContact O-OG 3.3Å; R144-W296 HydrophobicContact CB-CE3 4.39Å; R144-W296 HydrophobicContact CB-CH2 3.55Å; R144-W296 HydrophobicContact CB-CZ2 3.89Å; R144-W296 HydrophobicContact CB-CZ3 3.81Å; R144-W296 VanDerWaalsContact CD-O 3.29Å; R144-W296 WeakPolarHBondContact CD-O 3.5Å; R144-W296 HydrophobicContact CG-CE3 4.1Å; R144-W296 HydrophobicContact CG-CH2 4.14Å; R144-W296 HydrophobicContact CG-CZ3 3.87Å; R144-W296 PolarHBondContact NE-O 3.15Å; R144-F297 HydrophobicContact CG-CD1 3.67Å; R144-F297 HydrophobicContact CG-CE1 3.82Å; R144-T299 PolarHBondContact NH1-OG1 3.37Å; R144-T300 WeakPolarHBondContact CD-OG1 3.49Å
145F98.7Very high98.4Very high17 Ų1726 Ų268%0.07514%0.143CC..Hα-helixtrans-57.7-49.5176.1174.4-100.2000111.1S141 H142 S148 Q149 G178 Y179 I305 I310 A312 P313S141-F145 PolarHBondContact O-N 3.14Å; H142-F145 WeakPolarHBondContact O-CB 3.37Å; H142-F145 PolarHBondContact O-N 2.69Å; F145-S148 PolarHBondContact O-OG 3.11Å; F145-Q149 VanDerWaalsContact CD1-NE2 3.28Å; F145-Q149 VanDerWaalsContact CZ-NE2 3.34Å; F145-Q149 PolarHBondContact O-NE2 2.93Å; F145-G178 WeakPolarHBondContact CE1-O 3.48Å; F145-Y179 HydrophobicContact CE2-CE1 4.05Å; F145-Y179 HydrophobicContact CE2-CE2 4.45Å; F145-Y179 AromaticContact CE2-CZ 3.91Å; F145-Y179 HydrophobicContact CZ-CD1 4.01Å; F145-Y179 HydrophobicContact CZ-CD2 4.13Å; F145-Y179 AromaticContact CZ-CE1 3.76Å; F145-Y179 HydrophobicContact CZ-CE1 3.76Å; F145-Y179 AromaticContact CZ-CE2 3.87Å; F145-Y179 HydrophobicContact CZ-CE2 3.87Å; F145-Y179 HydrophobicContact CZ-CG 4.19Å; F145-Y179 AromaticContact CZ-CZ 3.68Å; F145-I305 HydrophobicContact CD2-CD1 3.63Å; F145-I305 HydrophobicContact CE2-CD1 3.73Å; F145-I310 HydrophobicContact CD2-CG2 4.18Å; F145-I310 HydrophobicContact CE2-CB 4.21Å; F145-I310 HydrophobicContact CE2-CG2 3.99Å; F145-A312 HydrophobicContact CE1-CB 3.91Å; F145-A312 HydrophobicContact CZ-CB 3.84Å; F145-P313 HydrophobicContact CB-CG 4.16Å; F145-P313 HydrophobicContact CD1-CG 3.77Å; F145-P313 HydrophobicContact CE1-CG 4.42Å; F145-P313 HydrophobicContact CG-CG 4.08Å
146Y98.8Very high98.5Very high0 Ų022.1 Ų22.10%012%0.122CC..Hα-helixtrans-70.3-42.6176.9-63.4-40.3000113.2M128 F138 H142 S143 S148 Q149 V150 I174 G178 L180 M231M128-Y146 HydrophobicContact CE-CD1 4.11Å; M128-Y146 HydrophobicContact CE-CD2 3.44Å; M128-Y146 VanDerWaalsContact CE-CD2 3.44Å; M128-Y146 HydrophobicContact CE-CE2 3.92Å; M128-Y146 HydrophobicContact CE-CG 3.53Å; M128-Y146 HydrophobicContact SD-CD2 4.5Å; F138-Y146 HydrophobicContact CD2-CD2 4.06Å; F138-Y146 HydrophobicContact CD2-CE2 4.03Å; F138-Y146 AromaticContact CE2-CD2 3.93Å; F138-Y146 HydrophobicContact CE2-CD2 3.93Å; F138-Y146 AromaticContact CE2-CE2 3.65Å; F138-Y146 HydrophobicContact CE2-CE2 3.65Å; F138-Y146 HydrophobicContact CZ-CE2 4.21Å; H142-Y146 AromaticContact CD2-CD2 3.75Å; H142-Y146 AromaticContact CD2-CE2 3.26Å; H142-Y146 WeakPolarHBondContact CD2-CE2 3.35Å; H142-Y146 AromaticContact CD2-CZ 3.72Å; H142-Y146 AromaticContact NE2-CD2 3.94Å; H142-Y146 AromaticContact NE2-CE2 2.98Å; H142-Y146 WeakPolarHBondContact NE2-CE2 3.3Å; H142-Y146 AromaticContact NE2-CZ 3.26Å; H142-Y146 VanDerWaalsContact NE2-CZ 3.26Å; H142-Y146 PolarHBondContact NE2-OH 3.38Å; H142-Y146 VanDerWaalsContact NE2-OH 3.08Å; H142-Y146 PolarHBondContact O-N 2.96Å; S143-Y146 PolarHBondContact O-N 2.95Å; Y146-S148 PolarHBondContact O-N 2.92Å; Y146-Q149 WeakPolarHBondContact O-CB 3.48Å; Y146-Q149 PolarHBondContact O-N 3.29Å; Y146-Q149 VanDerWaalsContact O-N 3.07Å; Y146-V150 PolarHBondContact O-N 3.31Å; Y146-V150 VanDerWaalsContact O-N 3.13Å; Y146-I174 HydrophobicContact CE2-CD1 4.48Å; Y146-I174 WeakPolarHBondContact OH-CD1 3.47Å; Y146-G178 WeakPolarHBondContact CE1-O 3.33Å; Y146-L180 HydrophobicContact CD1-CD2 4.47Å; Y146-L180 WeakPolarHBondContact O-CD2 3.47Å; Y146-M231 HydrophobicContact CD2-SD 4.05Å
147A98.9Very high98.5Very high0 Ų020.3 Ų20.30%010%0.104CC..Hα-helixtrans-58-37177.500000112S143 R144 Q149 V150 V151 L224 V228 M231 W296 F297S143-A147 WeakPolarHBondContact O-CB 3.01Å; S143-A147 PolarHBondContact O-N 2.91Å; R144-A147 PolarHBondContact O-N 2.88Å; A147-Q149 VanDerWaalsContact C-N 3.31Å; A147-Q149 PolarHBondContact O-N 3.48Å; A147-V150 PolarHBondContact O-N 3.28Å; A147-V151 VanDerWaalsContact O-CG2 3.28Å; A147-V151 WeakPolarHBondContact O-CG2 3.27Å; A147-V151 PolarHBondContact O-N 2.76Å; A147-L224 HydrophobicContact CB-CD1 4.44Å; A147-V228 HydrophobicContact CB-CG2 3.65Å; A147-M231 HydrophobicContact CB-CE 4.26Å; A147-W296 HydrophobicContact CB-CH2 4.37Å; A147-W296 HydrophobicContact CB-CZ3 4.1Å; A147-F297 HydrophobicContact CB-CE1 4.15Å; A147-F297 HydrophobicContact CB-CZ 3.9Å
148S98.7Very high98.5Very high0 Ų015.4 Ų15.40%09%0.086CC..Hα-helixtrans-62.5-37.3177.572.30000112.7R144 F145 Y146 V151 L152 W302R144-S148 WeakPolarHBondContact O-CB 3.23Å; R144-S148 PolarHBondContact O-N 3.06Å; R144-S148 PolarHBondContact O-OG 3.3Å; F145-S148 PolarHBondContact O-OG 3.11Å; Y146-S148 PolarHBondContact O-N 2.92Å; S148-V151 PolarHBondContact O-N 3.17Å; S148-L152 WeakPolarHBondContact O-CG 3.45Å; S148-L152 PolarHBondContact O-N 2.92Å; S148-L152 VanDerWaalsContact O-N 3.09Å; S148-W302 WeakPolarHBondContact O-CZ3 3.22Å
149Q98.7Very high98.4Very high0 Ų017.5 Ų17.50%010%0.095CC..Hα-helixtrans-70.2-41176.7-67.4164.368.100111.4F102 F145 Y146 A147 V151 L152 A153 Y179 L180 I305F102-Q149 HydrophobicContact CB-CB 4.47Å; F102-Q149 HydrophobicContact CD1-CB 4.21Å; F102-Q149 HydrophobicContact CD1-CG 4.05Å; F102-Q149 HydrophobicContact CD2-CB 3.79Å; F102-Q149 HydrophobicContact CD2-CG 4.14Å; F102-Q149 WeakPolarHBondContact CD2-O 3.37Å; F102-Q149 HydrophobicContact CE1-CB 4.5Å; F102-Q149 HydrophobicContact CE1-CG 3.91Å; F102-Q149 HydrophobicContact CE2-CB 4.1Å; F102-Q149 HydrophobicContact CE2-CG 4.01Å; F102-Q149 HydrophobicContact CG-CB 3.89Å; F102-Q149 HydrophobicContact CG-CG 4.19Å; F102-Q149 HydrophobicContact CZ-CB 4.45Å; F102-Q149 HydrophobicContact CZ-CG 3.9Å; F145-Q149 VanDerWaalsContact CD1-NE2 3.28Å; F145-Q149 VanDerWaalsContact CZ-NE2 3.34Å; F145-Q149 PolarHBondContact O-NE2 2.93Å; Y146-Q149 WeakPolarHBondContact O-CB 3.48Å; Y146-Q149 PolarHBondContact O-N 3.29Å; Y146-Q149 VanDerWaalsContact O-N 3.07Å; A147-Q149 VanDerWaalsContact C-N 3.31Å; A147-Q149 PolarHBondContact O-N 3.48Å; Q149-V151 PolarHBondContact O-N 3.01Å; Q149-L152 PolarHBondContact O-N 3.26Å; Q149-A153 WeakPolarHBondContact O-CB 3.4Å; Q149-A153 PolarHBondContact O-N 2.88Å; Q149-Y179 HydrophobicContact CG-CD1 4.36Å; Q149-Y179 VanDerWaalsContact OE1-CD1 3.29Å; Q149-L180 HydrophobicContact CB-CD1 4.31Å; Q149-L180 HydrophobicContact CB-CD2 3.51Å; Q149-L180 HydrophobicContact CB-CG 3.68Å; Q149-L180 HydrophobicContact CG-CD2 4.44Å; Q149-L180 HydrophobicContact CG-CG 4.43Å; Q149-I305 HydrophobicContact CG-CG2 3.72Å
150V98.9Very high98.4Very high0 Ų014.5 Ų14.50%07%0.074CC..Hα-helixtrans-62.8-41.6174.2-178.90000111.2Y146 A147 L152 A153 F154 L167 I172 L180 L224 L227Y146-V150 PolarHBondContact O-N 3.31Å; Y146-V150 VanDerWaalsContact O-N 3.13Å; A147-V150 PolarHBondContact O-N 3.28Å; V150-L152 VanDerWaalsContact C-N 3.34Å; V150-L152 PolarHBondContact O-N 3.09Å; V150-A153 PolarHBondContact O-N 3.31Å; V150-F154 HydrophobicContact CG1-CD2 3.96Å; V150-F154 HydrophobicContact CG1-CE1 4.27Å; V150-F154 HydrophobicContact CG1-CE2 3.67Å; V150-F154 HydrophobicContact CG1-CG 4.38Å; V150-F154 HydrophobicContact CG1-CZ 3.87Å; V150-F154 PolarHBondContact O-N 3.46Å; V150-L167 HydrophobicContact CG1-CD1 3.93Å; V150-L167 HydrophobicContact CG1-CD2 3.97Å; V150-I172 HydrophobicContact CG2-CD1 4.39Å; V150-L180 HydrophobicContact CG2-CD2 3.75Å; V150-L224 HydrophobicContact CB-CD1 4.04Å; V150-L224 HydrophobicContact CG1-CD1 3.86Å; V150-L227 HydrophobicContact CG2-CD2 4.02Å
151V98.8Very high98.3Very high0 Ų015.1 Ų15.10%08%0.077CC..Hα-helixtrans-58.6-46.1175.81680000111.1A147 S148 Q149 F154 E155 W221 L224 V288 I291 K292 F297 W302A147-V151 VanDerWaalsContact O-CG2 3.28Å; A147-V151 WeakPolarHBondContact O-CG2 3.27Å; A147-V151 PolarHBondContact O-N 2.76Å; S148-V151 PolarHBondContact O-N 3.17Å; Q149-V151 PolarHBondContact O-N 3.01Å; V151-F154 PolarHBondContact O-N 2.92Å; V151-E155 WeakPolarHBondContact O-CB 3.4Å; V151-E155 PolarHBondContact O-N 2.91Å; V151-W221 HydrophobicContact CG1-CZ3 4.47Å; V151-W221 HydrophobicContact CG2-CZ3 4.28Å; V151-L224 HydrophobicContact CG2-CD2 3.52Å; V151-V288 HydrophobicContact CG1-CG2 3.72Å; V151-I291 HydrophobicContact CG2-CG2 3.86Å; V151-K292 HydrophobicContact CG1-CD 4.38Å; V151-K292 HydrophobicContact CG1-CG 3.84Å; V151-F297 HydrophobicContact CG2-CZ 4.26Å; V151-W302 HydrophobicContact CB-CH2 4.02Å; V151-W302 HydrophobicContact CB-CZ3 3.83Å; V151-W302 HydrophobicContact CG1-CH2 3.75Å; V151-W302 HydrophobicContact CG1-CZ3 3.63Å; V151-W302 HydrophobicContact CG2-CH2 4.37Å
152L98.1Very high98.3Very high11 Ų1111.5 Ų11.56%0.0585%0.052CC..Hα-helixtrans-65.2-40.5177.4-70.7172.7000112.1F100 F102 S148 Q149 V150 E155 Y156 W302 I305 F306F100-L152 HydrophobicContact CE1-CB 4.06Å; F100-L152 HydrophobicContact CZ-CB 4.04Å; F100-L152 WeakPolarHBondContact CZ-O 3.43Å; F102-L152 HydrophobicContact CD2-CB 4.25Å; F102-L152 HydrophobicContact CE2-CB 4.07Å; F102-L152 HydrophobicContact CE2-CD1 3.78Å; S148-L152 WeakPolarHBondContact O-CG 3.45Å; S148-L152 PolarHBondContact O-N 2.92Å; S148-L152 VanDerWaalsContact O-N 3.09Å; Q149-L152 PolarHBondContact O-N 3.26Å; V150-L152 VanDerWaalsContact C-N 3.34Å; V150-L152 PolarHBondContact O-N 3.09Å; L152-E155 PolarHBondContact O-N 3.3Å; L152-Y156 PolarHBondContact O-N 3.17Å; L152-W302 HydrophobicContact CD1-CE3 4.2Å; L152-W302 HydrophobicContact CD2-CE3 3.87Å; L152-W302 HydrophobicContact CG-CE3 3.84Å; L152-W302 HydrophobicContact CG-CZ3 4.18Å; L152-I305 HydrophobicContact CD1-CB 4.26Å; L152-I305 HydrophobicContact CD1-CG2 3.71Å; L152-F306 HydrophobicContact CD1-CB 4.14Å
153A98.5Very high98.3Very high0 Ų011 Ų110%05%0.05CC..Hα-helixtrans-63.3-42.5176.300000112.1F100 L103 Q149 V150 Y156 L157 I182F100-A153 HydrophobicContact CD1-CB 4.35Å; F100-A153 HydrophobicContact CE1-CB 4.34Å; L103-A153 HydrophobicContact CD2-CB 3.84Å; Q149-A153 WeakPolarHBondContact O-CB 3.4Å; Q149-A153 PolarHBondContact O-N 2.88Å; V150-A153 PolarHBondContact O-N 3.31Å; A153-Y156 PolarHBondContact O-N 3.36Å; A153-L157 WeakPolarHBondContact O-CB 3.18Å; A153-L157 VanDerWaalsContact O-CG 3.32Å; A153-L157 WeakPolarHBondContact O-CG 3.48Å; A153-L157 PolarHBondContact O-N 3.4Å; A153-I182 HydrophobicContact CB-CD1 3.73Å
154F98.7Very high98.3Very high0 Ų011 Ų110%05%0.05CC..Hα-helixtrans-69.9-38.8175.6-73.5-9.8000112.9V150 V151 Y156 L157 H158 Y164 L167 D220 W221 L224V150-F154 HydrophobicContact CG1-CD2 3.96Å; V150-F154 HydrophobicContact CG1-CE1 4.27Å; V150-F154 HydrophobicContact CG1-CE2 3.67Å; V150-F154 HydrophobicContact CG1-CG 4.38Å; V150-F154 HydrophobicContact CG1-CZ 3.87Å; V150-F154 PolarHBondContact O-N 3.46Å; V151-F154 PolarHBondContact O-N 2.92Å; F154-Y156 VanDerWaalsContact C-N 3.28Å; F154-Y156 PolarHBondContact O-N 3.18Å; F154-L157 HydrophobicContact CD1-CD1 4.42Å; F154-L157 PolarHBondContact O-N 3.03Å; F154-H158 WeakPolarHBondContact O-CB 3.38Å; F154-H158 PolarHBondContact O-CD2 2.66Å; F154-H158 PolarHBondContact O-N 2.94Å; F154-Y164 HydrophobicContact CE1-CD1 4.03Å; F154-Y164 HydrophobicContact CE1-CG 4.31Å; F154-Y164 HydrophobicContact CZ-CD1 4.38Å; F154-L167 HydrophobicContact CE1-CD1 4.48Å; F154-L167 HydrophobicContact CE2-CD2 3.95Å; F154-L167 HydrophobicContact CZ-CB 4.08Å; F154-L167 HydrophobicContact CZ-CD1 3.93Å; F154-L167 HydrophobicContact CZ-CD2 3.79Å; F154-L167 HydrophobicContact CZ-CG 4.15Å; F154-D220 HydrophobicContact CD2-CB 3.97Å; F154-D220 HydrophobicContact CE1-CB 4.29Å; F154-D220 HydrophobicContact CE2-CB 3.7Å; F154-D220 VanDerWaalsContact CE2-O 3.24Å; F154-D220 WeakPolarHBondContact CE2-O 3.45Å; F154-D220 HydrophobicContact CG-CB 4.37Å; F154-D220 HydrophobicContact CZ-CB 3.85Å; F154-W221 HydrophobicContact CB-CH2 3.48Å; F154-W221 VanDerWaalsContact CB-CH2 3.48Å; F154-W221 HydrophobicContact CB-CZ2 3.95Å; F154-W221 HydrophobicContact CB-CZ3 3.84Å; F154-W221 AromaticContact CD2-CE3 3.99Å; F154-W221 HydrophobicContact CD2-CE3 3.99Å; F154-W221 HydrophobicContact CD2-CH2 4.35Å; F154-W221 AromaticContact CD2-CZ3 3.87Å; F154-W221 HydrophobicContact CD2-CZ3 3.87Å; F154-W221 HydrophobicContact CG-CH2 4.46Å; F154-W221 HydrophobicContact CG-CZ3 4.4Å; F154-L224 HydrophobicContact CE2-CB 4.23Å
155E98Very high98.2Very high27 Ų279.7 Ų9.713%0.1265%0.045CC..Hα-helixtrans-54.6-48172.3-178.6171.3-151.600110.8L19 V151 L152 H159 V288 K292L19-E155 HydrophobicContact CD1-CG 4.11Å; V151-E155 WeakPolarHBondContact O-CB 3.4Å; V151-E155 PolarHBondContact O-N 2.91Å; L152-E155 PolarHBondContact O-N 3.3Å; E155-H159 WeakPolarHBondContact O-CB 3.41Å; E155-H159 PolarHBondContact O-N 3.34Å; E155-H159 VanDerWaalsContact O-N 3.11Å; E155-V288 HydrophobicContact CB-CG1 4.5Å; E155-V288 HydrophobicContact CB-CG2 4.28Å; E155-V288 HydrophobicContact CG-CG1 3.99Å; E155-V288 WeakPolarHBondContact OE1-CG1 3.32Å; E155-K292 IonicContact OE1-NZ 3.48Å; E155-K292 PolarHBondContact OE1-NZ 3.1Å; E155-K292 IonicContact OE2-NZ 3.3Å; E155-K292 PolarHBondContact OE2-NZ 3.34Å
156Y98.1Very high98.2Very high5 Ų59.2 Ų9.22%0.024%0.043CC..Hα-helixtrans-59.9-57.3174.2168.9-91.2000112.2A22 I98 S99 F100 L103 L152 A153 F154 H158 H159 L160A22-Y156 HydrophobicContact CB-CD2 4.18Å; A22-Y156 HydrophobicContact CB-CE2 3.74Å; I98-Y156 WeakPolarHBondContact CA-OH 3.21Å; I98-Y156 HydrophobicContact CB-CE1 4.05Å; I98-Y156 HydrophobicContact CG2-CE1 4.14Å; S99-Y156 PolarHBondContact N-OH 3.36Å; S99-Y156 WeakPolarHBondContact O-CE2 3.31Å; S99-Y156 PolarHBondContact O-OH 2.92Å; F100-Y156 HydrophobicContact CB-CD1 3.91Å; F100-Y156 HydrophobicContact CB-CD2 4.29Å; F100-Y156 HydrophobicContact CB-CE1 3.96Å; F100-Y156 HydrophobicContact CB-CE2 4.25Å; F100-Y156 HydrophobicContact CB-CG 4.11Å; F100-Y156 HydrophobicContact CD1-CG 4.47Å; F100-Y156 HydrophobicContact CD2-CD1 4.14Å; F100-Y156 AromaticContact CD2-CD2 3.32Å; F100-Y156 HydrophobicContact CD2-CD2 3.32Å; F100-Y156 AromaticContact CD2-CE2 3.89Å; F100-Y156 HydrophobicContact CD2-CE2 3.89Å; F100-Y156 AromaticContact CD2-CG 3.46Å; F100-Y156 HydrophobicContact CD2-CG 3.46Å; F100-Y156 VanDerWaalsContact CD2-CG 3.46Å; F100-Y156 AromaticContact CE2-CD2 3.86Å; F100-Y156 HydrophobicContact CE2-CD2 3.86Å; F100-Y156 AromaticContact CE2-CG 3.93Å; F100-Y156 HydrophobicContact CE2-CG 3.93Å; F100-Y156 AromaticContact CG-CD1 3.99Å; F100-Y156 HydrophobicContact CG-CD1 3.99Å; F100-Y156 HydrophobicContact CG-CD2 4.02Å; F100-Y156 HydrophobicContact CG-CE1 4.5Å; F100-Y156 HydrophobicContact CG-CE2 4.44Å; F100-Y156 AromaticContact CG-CG 3.77Å; F100-Y156 HydrophobicContact CG-CG 3.77Å; L103-Y156 HydrophobicContact CD1-CD1 3.81Å; L103-Y156 HydrophobicContact CD1-CE1 3.81Å; L152-Y156 PolarHBondContact O-N 3.17Å; A153-Y156 PolarHBondContact O-N 3.36Å; F154-Y156 VanDerWaalsContact C-N 3.28Å; F154-Y156 PolarHBondContact O-N 3.18Å; Y156-H158 VanDerWaalsContact C-N 3.34Å; Y156-H158 PolarHBondContact O-N 2.94Å; Y156-H159 WeakPolarHBondContact O-CB 3.37Å; Y156-H159 PolarHBondContact O-N 2.72Å; Y156-H159 VanDerWaalsContact O-N 3.15Å; Y156-L160 HydrophobicContact CD1-CD1 4.23Å; Y156-L160 HydrophobicContact CE1-CD1 3.52Å; Y156-L160 HydrophobicContact CE2-CD1 4.02Å; Y156-L160 WeakPolarHBondContact O-CG 3.44Å; Y156-L160 PolarHBondContact O-N 3.31Å; Y156-L160 WeakPolarHBondContact OH-CD1 3.44Å
157L98.3Very high98.2Very high1 Ų19.3 Ų9.31%0.0054%0.043CC..Hα-helixtrans-59.6-43.9-176.3-72.2175.4000111.9I98 L103 A153 F154 H159 L160 E161 L162 F185I98-L157 HydrophobicContact CG2-CD2 4.25Å; L103-L157 HydrophobicContact CD1-CD1 4.37Å; L103-L157 HydrophobicContact CD1-CD2 3.8Å; L103-L157 HydrophobicContact CD1-CG 4.04Å; L103-L157 HydrophobicContact CD2-CD1 4.41Å; A153-L157 WeakPolarHBondContact O-CB 3.18Å; A153-L157 VanDerWaalsContact O-CG 3.32Å; A153-L157 WeakPolarHBondContact O-CG 3.48Å; A153-L157 PolarHBondContact O-N 3.4Å; F154-L157 HydrophobicContact CD1-CD1 4.42Å; F154-L157 PolarHBondContact O-N 3.03Å; L157-H159 VanDerWaalsContact C-N 3.3Å; L157-H159 PolarHBondContact O-N 2.91Å; L157-L160 CarbonylContact O-C 3.59Å; L157-L160 WeakPolarHBondContact O-CA 3.42Å; L157-L160 WeakPolarHBondContact O-CB 3.48Å; L157-L160 PolarHBondContact O-N 3.09Å; L157-L160 VanDerWaalsContact O-N 3.07Å; L157-E161 PolarHBondContact O-N 3.49Å; L157-L162 CarbonylContact C-O 3.47Å; L157-L162 HydrophobicContact CB-CB 4.18Å; L157-L162 HydrophobicContact CD2-CB 4.2Å; L157-L162 HydrophobicContact CD2-CD1 3.76Å; L157-L162 WeakPolarHBondContact O-CB 3.45Å; L157-L162 PolarHBondContact O-N 3.31Å; L157-F185 HydrophobicContact CD1-CE1 4.25Å; L157-F185 HydrophobicContact CD1-CZ 4.46Å; L157-F185 HydrophobicContact CD2-CE1 4.08Å
158H97.7Very high98.1Very high17 Ų1710.9 Ų10.98%0.0795%0.05CC..Hα-helixtrans-68.9-29.8-178.8-67.3-177.6000112.2F154 Y156 L160 E161 L162 K217 D220 W221F154-H158 WeakPolarHBondContact O-CB 3.38Å; F154-H158 PolarHBondContact O-CD2 2.66Å; F154-H158 PolarHBondContact O-N 2.94Å; Y156-H158 VanDerWaalsContact C-N 3.34Å; Y156-H158 PolarHBondContact O-N 2.94Å; H158-L160 PolarHBondContact O-N 3.44Å; H158-E161 PolarHBondContact O-N 2.68Å; H158-E161 VanDerWaalsContact O-N 3.16Å; H158-L162 PolarHBondContact CD2-O 2.94Å; H158-L162 VanDerWaalsContact CD2-O 3.23Å; H158-K217 HydrophobicContact CB-CD 3.86Å; H158-K217 PolarHBondContact CE1-O 2.79Å; H158-D220 IonicContact CD2-OD2 3.53Å; H158-D220 IonicContact CE1-OD2 3.18Å; H158-D220 IonicContact NE2-OD2 3.1Å; H158-D220 PolarHBondContact NE2-OD2 2.89Å; H158-W221 AromaticContact CE1-CE2 3.57Å; H158-W221 AromaticContact CE1-CZ2 3.82Å; H158-W221 AromaticContact CE1-NE1 3.39Å; H158-W221 PolarHBondContact CE1-NE1 3.07Å; H158-W221 AromaticContact ND1-CE2 3.57Å; H158-W221 AromaticContact ND1-CZ2 3.55Å; H158-W221 AromaticContact ND1-NE1 3.32Å; H158-W221 PolarHBondContact ND1-NE1 3.37Å
159H96.7Very high98.1Very high48 Ų4810.9 Ų10.922%0.2225%0.05CC..Hα-helixtrans-65.9-29.8172.5-171.682.8000112.1L19 E20 E155 Y156 L157 E161L19-H159 HydrophobicContact CD2-CB 4.37Å; L19-H159 PolarHBondContact O-CD2 2.74Å; L19-H159 PolarHBondContact O-NE2 3.29Å; E20-H159 IonicContact OE1-CE1 2.81Å; E20-H159 PolarHBondContact OE1-CE1 2.83Å; E20-H159 VanDerWaalsContact OE1-CE1 3.25Å; E20-H159 IonicContact OE1-NE2 3.81Å; E20-H159 IonicContact OE2-NE2 3.71Å; E155-H159 WeakPolarHBondContact O-CB 3.41Å; E155-H159 PolarHBondContact O-N 3.34Å; E155-H159 VanDerWaalsContact O-N 3.11Å; Y156-H159 WeakPolarHBondContact O-CB 3.37Å; Y156-H159 PolarHBondContact O-N 2.72Å; Y156-H159 VanDerWaalsContact O-N 3.15Å; L157-H159 VanDerWaalsContact C-N 3.3Å; L157-H159 PolarHBondContact O-N 2.91Å; H159-E161 VanDerWaalsContact C-N 3.28Å; H159-E161 PolarHBondContact O-N 3.26Å
160L97.3Very high97.9Very high2 Ų213.9 Ų13.91%0.016%0.064CC..THydrogen-bonded Turntrans-84.15.4173.2-55.2-176.5000114.2K23 F26 I98 Y156 L157 H158 L162K23-L160 HydrophobicContact CB-CD2 3.72Å; K23-L160 HydrophobicContact CG-CD2 3.91Å; F26-L160 HydrophobicContact CB-CD1 3.92Å; F26-L160 HydrophobicContact CB-CD2 3.82Å; F26-L160 HydrophobicContact CB-CG 4.46Å; F26-L160 HydrophobicContact CD1-CB 4.17Å; F26-L160 HydrophobicContact CD1-CD1 4.33Å; F26-L160 HydrophobicContact CD1-CD2 4Å; F26-L160 HydrophobicContact CD1-CG 4.4Å; F26-L160 HydrophobicContact CD2-CD1 3.8Å; F26-L160 HydrophobicContact CE1-CB 4.25Å; F26-L160 HydrophobicContact CE2-CD1 4.43Å; F26-L160 HydrophobicContact CG-CB 4.4Å; F26-L160 HydrophobicContact CG-CD1 3.75Å; F26-L160 HydrophobicContact CG-CD2 3.97Å; F26-L160 HydrophobicContact CG-CG 4.26Å; I98-L160 HydrophobicContact CG2-CD1 4.22Å; Y156-L160 HydrophobicContact CD1-CD1 4.23Å; Y156-L160 HydrophobicContact CE1-CD1 3.52Å; Y156-L160 HydrophobicContact CE2-CD1 4.02Å; Y156-L160 WeakPolarHBondContact O-CG 3.44Å; Y156-L160 PolarHBondContact O-N 3.31Å; Y156-L160 WeakPolarHBondContact OH-CD1 3.44Å; L157-L160 CarbonylContact O-C 3.59Å; L157-L160 WeakPolarHBondContact O-CA 3.42Å; L157-L160 WeakPolarHBondContact O-CB 3.48Å; L157-L160 PolarHBondContact O-N 3.09Å; L157-L160 VanDerWaalsContact O-N 3.07Å; H158-L160 PolarHBondContact O-N 3.44Å; L160-L162 HydrophobicContact CB-CD1 4.03Å; L160-L162 HydrophobicContact CB-CG 4.09Å; L160-L162 HydrophobicContact CD1-CD1 4.19Å; L160-L162 PolarHBondContact O-N 2.94Å
161E97.3Very high97.9Very high52 Ų5214.5 Ų14.524%0.2437%0.067CC..THydrogen-bonded Turntrans63.823-174.3-45.3169.9134.300113L157 H158 H159 R190 V191 K192L157-E161 PolarHBondContact O-N 3.49Å; H158-E161 PolarHBondContact O-N 2.68Å; H158-E161 VanDerWaalsContact O-N 3.16Å; H159-E161 VanDerWaalsContact C-N 3.28Å; H159-E161 PolarHBondContact O-N 3.26Å; E161-R190 HydrophobicContact CB-CG 4.2Å; E161-R190 CarbonylContact O-C 3.46Å; E161-R190 VanDerWaalsContact O-CA 3.28Å; E161-R190 WeakPolarHBondContact O-CA 3.2Å; E161-R190 IonicContact OE2-CZ 3.79Å; E161-R190 IonicContact OE2-NE 2.86Å; E161-R190 PolarHBondContact OE2-NE 2.83Å; E161-R190 IonicContact OE2-NH2 2.65Å; E161-R190 PolarHBondContact OE2-NH2 2.81Å; E161-V191 PolarHBondContact O-N 2.59Å; E161-K192 VanDerWaalsContact CD-CE 3.45Å; E161-K192 WeakPolarHBondContact OE1-CE 3.46Å; E161-K192 WeakPolarHBondContact OE1-CG 3.28Å; E161-K192 WeakPolarHBondContact OE2-CE 3.23Å
162L98.3Very high97.8Very high2 Ų214.5 Ų14.51%0.017%0.067CC..EExtended strand (participates in β ladder)trans-94.2137.7175.2-62.5170.5000110.1F26 I94 I98 L157 H158 L160 K189 R190F26-L162 HydrophobicContact CE2-CD1 3.87Å; F26-L162 HydrophobicContact CZ-CD1 4.15Å; F26-L162 HydrophobicContact CZ-CD2 4.26Å; F26-L162 HydrophobicContact CZ-CG 4.33Å; I94-L162 HydrophobicContact CD1-CD2 3.95Å; I94-L162 HydrophobicContact CG1-CD2 3.89Å; I94-L162 HydrophobicContact CG2-CD1 3.95Å; I94-L162 HydrophobicContact CG2-CD2 4.26Å; I98-L162 HydrophobicContact CG2-CD1 3.63Å; L157-L162 CarbonylContact C-O 3.47Å; L157-L162 HydrophobicContact CB-CB 4.18Å; L157-L162 HydrophobicContact CD2-CB 4.2Å; L157-L162 HydrophobicContact CD2-CD1 3.76Å; L157-L162 WeakPolarHBondContact O-CB 3.45Å; L157-L162 PolarHBondContact O-N 3.31Å; H158-L162 PolarHBondContact CD2-O 2.94Å; H158-L162 VanDerWaalsContact CD2-O 3.23Å; L160-L162 HydrophobicContact CB-CD1 4.03Å; L160-L162 HydrophobicContact CB-CG 4.09Å; L160-L162 HydrophobicContact CD1-CD1 4.19Å; L160-L162 PolarHBondContact O-N 2.94Å; L162-K189 WeakPolarHBondContact CA-O 3.34Å; L162-R190 HydrophobicContact CD2-CB 3.78Å; L162-R190 HydrophobicContact CD2-CG 4.18Å
163V98.1Very high97.8Very high5 Ų515 Ų153%0.037%0.07CC..EExtended strand (participates in β ladder)trans-116.9130.1170.3-1690000107.5R165 A188 K189 V191 K217 V219 D220V163-R165 HydrophobicContact CB-CG 4.09Å; V163-R165 HydrophobicContact CG1-CG 3.52Å; V163-A188 VanDerWaalsContact O-CA 3.3Å; V163-A188 WeakPolarHBondContact O-CA 3.42Å; V163-K189 PolarHBondContact N-O 2.85Å; V163-K189 PolarHBondContact O-N 2.86Å; V163-V191 HydrophobicContact CG2-CB 4.13Å; V163-V191 HydrophobicContact CG2-CG2 4.23Å; V163-K217 HydrophobicContact CG2-CB 4.11Å; V163-V219 HydrophobicContact CG1-CG2 3.89Å; V163-D220 VanDerWaalsContact CG1-OD2 3.29Å; V163-D220 WeakPolarHBondContact CG1-OD2 3.29Å
164Y98.4Very high97.8Very high1 Ų115 Ų150%0.0047%0.07CC..  trans-82.7-46.9-170.1177.6-116.1000113.1F154 D166 L167 N171 I182 T183 D184 F185 F187 A188 D220F154-Y164 HydrophobicContact CE1-CD1 4.03Å; F154-Y164 HydrophobicContact CE1-CG 4.31Å; F154-Y164 HydrophobicContact CZ-CD1 4.38Å; Y164-D166 VanDerWaalsContact C-N 3.29Å; Y164-D166 WeakPolarHBondContact CE1-O 3.38Å; Y164-D166 PolarHBondContact O-N 3.27Å; Y164-L167 HydrophobicContact CD1-CB 4.15Å; Y164-L167 HydrophobicContact CE1-CB 4.13Å; Y164-L167 HydrophobicContact CE1-CD1 4.33Å; Y164-L167 VanDerWaalsContact CE1-N 3.34Å; Y164-N171 WeakPolarHBondContact OH-CB 3.33Å; Y164-N171 PolarHBondContact OH-ND2 3.38Å; Y164-I182 HydrophobicContact CD2-CG2 4.41Å; Y164-I182 HydrophobicContact CE1-CG2 3.87Å; Y164-I182 HydrophobicContact CE2-CG2 3.72Å; Y164-I182 VanDerWaalsContact CZ-CG2 3.43Å; Y164-I182 WeakPolarHBondContact OH-CG2 3.42Å; Y164-T183 PolarHBondContact OH-O 3.17Å; Y164-D184 VanDerWaalsContact CE2-O 3.27Å; Y164-D184 WeakPolarHBondContact CE2-O 3.44Å; Y164-D184 PolarHBondContact OH-O 3.34Å; Y164-F185 HydrophobicContact CD2-CD1 4.28Å; Y164-F185 HydrophobicContact CD2-CE1 4.18Å; Y164-F185 HydrophobicContact CD2-CE2 4.5Å; Y164-F185 HydrophobicContact CD2-CG 4.49Å; Y164-F185 HydrophobicContact CD2-CZ 4.29Å; Y164-F185 HydrophobicContact CE2-CD1 4.49Å; Y164-F185 HydrophobicContact CE2-CD2 4.04Å; Y164-F185 HydrophobicContact CE2-CE2 4.07Å; Y164-F185 HydrophobicContact CE2-CG 4.26Å; Y164-F185 HydrophobicContact CE2-CZ 4.31Å; Y164-F187 CarbonylContact O-C 3.49Å; Y164-A188 PolarHBondContact O-N 3.2Å; Y164-D220 PolarHBondContact N-OD1 3.16Å; Y164-D220 PolarHBondContact N-OD2 3.24Å
165R97.9Very high97.6Very high16 Ų1615.6 Ų15.66%0.067%0.073CC..  trans66.84.1169-50.4-172-67.4162.54.2118.2V163 F187 Y215 V219 D220V163-R165 HydrophobicContact CB-CG 4.09Å; V163-R165 HydrophobicContact CG1-CG 3.52Å; R165-F187 HydrophobicContact CB-CB 4.22Å; R165-F187 PolarHBondContact NE-O 3.21Å; R165-F187 PolarHBondContact NH2-O 2.84Å; R165-Y215 WeakPolarHBondContact CD-OH 3.36Å; R165-Y215 HydrophobicContact CG-CE2 4.49Å; R165-Y215 PolarHBondContact NH1-OH 3.26Å; R165-V219 HydrophobicContact CG-CG2 4.35Å; R165-D220 PolarHBondContact N-OD1 3.45Å
166D97.3Very high97.5Very high6 Ų618 Ų183%0.0329%0.085CC..  trans-140.142.5173.9-151.531.9000113.6Y164 K168 N171 F187 G200 T201Y164-D166 VanDerWaalsContact C-N 3.29Å; Y164-D166 WeakPolarHBondContact CE1-O 3.38Å; Y164-D166 PolarHBondContact O-N 3.27Å; D166-K168 PolarHBondContact O-N 3.46Å; D166-K168 IonicContact OD1-NZ 3.18Å; D166-K168 PolarHBondContact OD1-NZ 2.88Å; D166-K168 VanDerWaalsContact OD2-CE 3.32Å; D166-K168 WeakPolarHBondContact OD2-CE 3.31Å; D166-K168 IonicContact OD2-NZ 3.56Å; D166-K168 PolarHBondContact OD2-NZ 3.32Å; D166-N171 PolarHBondContact O-ND2 2.94Å; D166-N171 PolarHBondContact OD2-ND2 3.37Å; D166-F187 HydrophobicContact CB-CB 4.43Å; D166-F187 HydrophobicContact CB-CD2 3.71Å; D166-F187 HydrophobicContact CB-CE2 4.46Å; D166-G200 WeakPolarHBondContact OD1-CA 3.46Å; D166-T201 PolarHBondContact OD1-N 2.98Å; D166-T201 PolarHBondContact OD1-OG1 3.27Å
167L98.7Very high97.3Very high2 Ų224.8 Ų24.81%0.0111%0.111CC..  trans-68.7123.3174-170.377.4000110V150 F154 Y164 I172 Y204 A223 L224 L227V150-L167 HydrophobicContact CG1-CD1 3.93Å; V150-L167 HydrophobicContact CG1-CD2 3.97Å; F154-L167 HydrophobicContact CE1-CD1 4.48Å; F154-L167 HydrophobicContact CE2-CD2 3.95Å; F154-L167 HydrophobicContact CZ-CB 4.08Å; F154-L167 HydrophobicContact CZ-CD1 3.93Å; F154-L167 HydrophobicContact CZ-CD2 3.79Å; F154-L167 HydrophobicContact CZ-CG 4.15Å; Y164-L167 HydrophobicContact CD1-CB 4.15Å; Y164-L167 HydrophobicContact CE1-CB 4.13Å; Y164-L167 HydrophobicContact CE1-CD1 4.33Å; Y164-L167 VanDerWaalsContact CE1-N 3.34Å; L167-I172 HydrophobicContact CD1-CD1 3.92Å; L167-I172 HydrophobicContact CD1-CG1 4.36Å; L167-Y204 WeakPolarHBondContact O-CD1 3.5Å; L167-Y204 WeakPolarHBondContact O-CE1 3.21Å; L167-A223 HydrophobicContact CB-CB 3.91Å; L167-A223 HydrophobicContact CD2-CB 4.2Å; L167-L224 HydrophobicContact CD2-CB 4.4Å; L167-L227 HydrophobicContact CD1-CD2 4.28Å; L167-L227 HydrophobicContact CD2-CB 4.04Å; L167-L227 HydrophobicContact CD2-CD2 3.81Å; L167-L227 HydrophobicContact CG-CD2 4.12Å
168K98Very high97.3Very high33 Ų3324.7 Ų24.714%0.14311%0.111CC..SBendtrans-163.6160.2173.460.8-175.3164.2-155.50109.3D166 E170 N171 T201 Y204D166-K168 PolarHBondContact O-N 3.46Å; D166-K168 IonicContact OD1-NZ 3.18Å; D166-K168 PolarHBondContact OD1-NZ 2.88Å; D166-K168 VanDerWaalsContact OD2-CE 3.32Å; D166-K168 WeakPolarHBondContact OD2-CE 3.31Å; D166-K168 IonicContact OD2-NZ 3.56Å; D166-K168 PolarHBondContact OD2-NZ 3.32Å; K168-E170 VanDerWaalsContact CB-OE2 3.32Å; K168-E170 WeakPolarHBondContact CB-OE2 3.5Å; K168-E170 HydrophobicContact CD-CB 4.26Å; K168-E170 WeakPolarHBondContact CD-OE2 3.38Å; K168-E170 HydrophobicContact CG-CB 4.21Å; K168-E170 VanDerWaalsContact CG-OE2 3.3Å; K168-E170 WeakPolarHBondContact CG-OE2 3.27Å; K168-E170 PolarHBondContact O-N 3.42Å; K168-N171 VanDerWaalsContact CE-CG 3.4Å; K168-N171 WeakPolarHBondContact CE-ND2 3.29Å; K168-N171 VanDerWaalsContact CE-OD1 3.31Å; K168-N171 WeakPolarHBondContact CE-OD1 3.24Å; K168-N171 HydrophobicContact CG-CB 4.1Å; K168-N171 PolarHBondContact O-N 3.46Å; K168-T201 HydrophobicContact CD-CG2 4.19Å; K168-T201 WeakPolarHBondContact CD-OG1 3.35Å; K168-T201 PolarHBondContact NZ-OG1 3.14Å; K168-Y204 HydrophobicContact CB-CD2 4.14Å; K168-Y204 HydrophobicContact CB-CE2 4.06Å; K168-Y204 HydrophobicContact CB-CG 4.48Å
169P98.1Very high97.3Very high0 Ų024.1 Ų24.10%011%0.108CC..G310 helixtrans-59.6-27.3-176.9-24.334.9000114.2M128 F129 N171 I172 Y204 L227M128-P169 HydrophobicContact CB-CB 4.46Å; M128-P169 HydrophobicContact CG-CB 4.35Å; F129-P169 HydrophobicContact CB-CB 3.84Å; F129-P169 HydrophobicContact CD2-CB 4.2Å; F129-P169 PolarHBondContact N-O 3.42Å; P169-N171 VanDerWaalsContact C-N 3.33Å; P169-I172 PolarHBondContact O-N 2.89Å; P169-Y204 VanDerWaalsContact CD-OH 3.29Å; P169-Y204 WeakPolarHBondContact CD-OH 3.42Å; P169-L227 HydrophobicContact CG-CD1 3.84Å
170E95.7Very high97.4Very high64 Ų6421.9 Ų21.930%0.29910%0.098SC..G310 helixtrans-67.8-32.7177.2-59.789.2152.700111.6F129 K168 I172F129-E170 HydrophobicContact CB-CG 3.97Å; F129-E170 HydrophobicContact CD2-CG 3.92Å; F129-E170 HydrophobicContact CG-CG 3.9Å; K168-E170 VanDerWaalsContact CB-OE2 3.32Å; K168-E170 WeakPolarHBondContact CB-OE2 3.5Å; K168-E170 HydrophobicContact CD-CB 4.26Å; K168-E170 WeakPolarHBondContact CD-OE2 3.38Å; K168-E170 HydrophobicContact CG-CB 4.21Å; K168-E170 VanDerWaalsContact CG-OE2 3.3Å; K168-E170 WeakPolarHBondContact CG-OE2 3.27Å; K168-E170 PolarHBondContact O-N 3.42Å; E170-I172 VanDerWaalsContact C-N 3.29Å; E170-I172 PolarHBondContact O-N 2.73Å
171N97.3Very high97.4Very high12 Ų1222.7 Ų22.76%0.06410%0.101CC..G310 helixtrans-90.611.2179.3-71.9-2.3000113.2Y164 D166 K168 P169 T183Y164-N171 WeakPolarHBondContact OH-CB 3.33Å; Y164-N171 PolarHBondContact OH-ND2 3.38Å; D166-N171 PolarHBondContact O-ND2 2.94Å; D166-N171 PolarHBondContact OD2-ND2 3.37Å; K168-N171 VanDerWaalsContact CE-CG 3.4Å; K168-N171 WeakPolarHBondContact CE-ND2 3.29Å; K168-N171 VanDerWaalsContact CE-OD1 3.31Å; K168-N171 WeakPolarHBondContact CE-OD1 3.24Å; K168-N171 HydrophobicContact CG-CB 4.1Å; K168-N171 PolarHBondContact O-N 3.46Å; P169-N171 VanDerWaalsContact C-N 3.33Å; N171-T183 WeakPolarHBondContact O-CG2 3.26Å; N171-T183 PolarHBondContact O-N 2.72Å
172I98.3Very high97.5Very high0 Ų020.2 Ų20.20%09%0.09CC..EExtended strand (participates in β ladder)trans-119.1109176.9-58.6173.6000108.1M128 V150 L167 P169 E170 L180 L227M128-I172 HydrophobicContact CB-CB 4.11Å; M128-I172 HydrophobicContact CB-CG2 4.22Å; M128-I172 WeakPolarHBondContact CB-O 3.27Å; M128-I172 HydrophobicContact CE-CB 4.4Å; M128-I172 HydrophobicContact CE-CD1 4.45Å; M128-I172 HydrophobicContact CE-CG2 3.66Å; M128-I172 PolarHBondContact N-O 3.48Å; M128-I172 HydrophobicContact SD-CB 4.5Å; M128-I172 HydrophobicContact SD-CD1 4.21Å; M128-I172 HydrophobicContact SD-CG2 4.37Å; V150-I172 HydrophobicContact CG2-CD1 4.39Å; L167-I172 HydrophobicContact CD1-CD1 3.92Å; L167-I172 HydrophobicContact CD1-CG1 4.36Å; P169-I172 PolarHBondContact O-N 2.89Å; E170-I172 VanDerWaalsContact C-N 3.29Å; E170-I172 PolarHBondContact O-N 2.73Å; I172-L180 HydrophobicContact CG2-CB 3.67Å; I172-L180 HydrophobicContact CG2-CD1 4.25Å; I172-L180 HydrophobicContact CG2-CD2 4.2Å; I172-L180 HydrophobicContact CG2-CG 4.27Å; I172-L227 HydrophobicContact CD1-CD1 4.05Å; I172-L227 HydrophobicContact CD1-CD2 3.52Å; I172-L227 HydrophobicContact CD1-CG 4.45Å
173L97.5Very high97.4Very high21 Ų2121.4 Ų21.411%0.1110%0.097CC..EExtended strand (participates in β ladder)trans-88.2152.8173.8-56178.1000109.9V123 G126 E127 L180 K181 T183V123-L173 HydrophobicContact CB-CB 3.96Å; V123-L173 HydrophobicContact CB-CD1 3.84Å; V123-L173 HydrophobicContact CG1-CB 3.62Å; V123-L173 HydrophobicContact CG1-CD1 4.46Å; V123-L173 HydrophobicContact CG2-CD1 4.22Å; G126-L173 CarbonylContact O-C 3.57Å; G126-L173 WeakPolarHBondContact O-CA 3.41Å; E127-L173 HydrophobicContact CG-CD2 3.89Å; L173-L180 CarbonylContact O-C 3.6Å; L173-L180 VanDerWaalsContact O-CA 3.25Å; L173-L180 WeakPolarHBondContact O-CA 3.29Å; L173-K181 HydrophobicContact CB-CB 4.43Å; L173-K181 PolarHBondContact N-O 3.38Å; L173-K181 PolarHBondContact O-N 2.78Å; L173-T183 HydrophobicContact CD1-CG2 4.05Å; L173-T183 HydrophobicContact CD2-CG2 4.5Å; L173-T183 HydrophobicContact CG-CG2 3.91Å
174I97.6Very high97.2Very high0 Ų023.7 Ų23.70%011%0.109CC..EExtended strand (participates in β ladder)trans-108.4128.4172.3-56-175.1000107.9V123 G125 G126 M128 Y146 Y179 F314 P316V123-I174 WeakPolarHBondContact CG1-O 3.45Å; G125-I174 CarbonylContact C-O 3.49Å; G125-I174 WeakPolarHBondContact CA-O 3.35Å; G125-I174 PolarHBondContact N-O 3.15Å; G125-I174 VanDerWaalsContact N-O 3.07Å; G126-I174 PolarHBondContact O-N 3.38Å; M128-I174 HydrophobicContact CB-CD1 4.49Å; Y146-I174 HydrophobicContact CE2-CD1 4.48Å; Y146-I174 WeakPolarHBondContact OH-CD1 3.47Å; I174-Y179 CarbonylContact C-O 3.6Å; I174-Y179 WeakPolarHBondContact CA-O 3.44Å; I174-F314 HydrophobicContact CD1-CD1 4.12Å; I174-F314 HydrophobicContact CD1-CE1 4.22Å; I174-F314 HydrophobicContact CG2-CD1 4.48Å; I174-P316 HydrophobicContact CG2-CG 4.11Å
175D96Very high97.1Very high13 Ų1323.7 Ų23.77%0.0711%0.109CC..  trans-83.4172.5176.671.630.9000112.7V123 Y177 G178 Y179 R308 P316V123-D175 HydrophobicContact CG1-CB 3.87Å; D175-Y177 PolarHBondContact O-N 3.43Å; D175-Y177 WeakPolarHBondContact OD1-CA 3.41Å; D175-Y177 WeakPolarHBondContact OD1-CB 3.49Å; D175-Y177 PolarHBondContact OD1-N 3.37Å; D175-G178 PolarHBondContact O-N 2.91Å; D175-G178 PolarHBondContact OD1-N 3.23Å; D175-Y179 VanDerWaalsContact CG-O 3.31Å; D175-Y179 PolarHBondContact N-O 3.48Å; D175-Y179 PolarHBondContact OD1-N 2.6Å; D175-Y179 VanDerWaalsContact OD1-N 3.07Å; D175-R308 IonicContact OD1-NH2 3.41Å; D175-R308 PolarHBondContact OD1-NH2 3.3Å; D175-R308 IonicContact OD2-CZ 2.8Å; D175-R308 IonicContact OD2-NH1 2.68Å; D175-R308 PolarHBondContact OD2-NH1 3.08Å; D175-R308 IonicContact OD2-NH2 3.62Å; D175-R308 PolarHBondContact OD2-NH2 2.94Å; D175-P316 WeakPolarHBondContact O-CD 3.12Å; D175-P316 WeakPolarHBondContact O-CG 3.4Å
176Q94Very high96.9Very high79 Ų7923.4 Ų23.437%0.36911%0.111SC..THydrogen-bonded Turntrans-59.9-13.3-179.268.1-174.12.500115.2N124 T315N124-Q176 WeakPolarHBondContact OD1-CB 3.41Å; N124-Q176 PolarHBondContact OD1-N 3.39Å; Q176-T315 WeakPolarHBondContact O-CG2 3.32Å
177Y95.3Very high96.7Very high146 Ų14625.8 Ų25.857%0.57312%0.121SC*.THydrogen-bonded Turntrans-101.84.5176.7-53.2-73.4000112D175 Y179 A312D175-Y177 PolarHBondContact O-N 3.43Å; D175-Y177 WeakPolarHBondContact OD1-CA 3.41Å; D175-Y177 WeakPolarHBondContact OD1-CB 3.49Å; D175-Y177 PolarHBondContact OD1-N 3.37Å; Y177-Y179 VanDerWaalsContact C-N 3.31Å; Y177-Y179 PolarHBondContact O-N 2.81Å; Y177-A312 VanDerWaalsContact O-CB 3.26Å; Y177-A312 WeakPolarHBondContact O-CB 3.13Å
178G97.3Very high96.6Very high0 Ų025.9 Ų25.90%012%0.122CC..SBendtrans80.27.2-179.300000114.6F145 Y146 D175 F314F145-G178 WeakPolarHBondContact CE1-O 3.48Å; Y146-G178 WeakPolarHBondContact CE1-O 3.33Å; D175-G178 PolarHBondContact O-N 2.91Å; D175-G178 PolarHBondContact OD1-N 3.23Å; G178-F314 WeakPolarHBondContact CA-O 3.48Å
179Y98.3Very high96.5Very high5 Ų526.7 Ų26.72%0.0213%0.126CC..  trans-87.6155.4174.4-81.4-102.2000110.7F102 F145 Q149 I174 D175 Y177 R308 I310F102-Y179 HydrophobicContact CD1-CD1 4.32Å; F102-Y179 AromaticContact CE1-CD1 3.65Å; F102-Y179 HydrophobicContact CE1-CD1 3.65Å; F102-Y179 HydrophobicContact CE1-CE1 4.17Å; F102-Y179 HydrophobicContact CZ-CD1 4.49Å; F145-Y179 HydrophobicContact CE2-CE1 4.05Å; F145-Y179 HydrophobicContact CE2-CE2 4.45Å; F145-Y179 AromaticContact CE2-CZ 3.91Å; F145-Y179 HydrophobicContact CZ-CD1 4.01Å; F145-Y179 HydrophobicContact CZ-CD2 4.13Å; F145-Y179 AromaticContact CZ-CE1 3.76Å; F145-Y179 HydrophobicContact CZ-CE1 3.76Å; F145-Y179 AromaticContact CZ-CE2 3.87Å; F145-Y179 HydrophobicContact CZ-CE2 3.87Å; F145-Y179 HydrophobicContact CZ-CG 4.19Å; F145-Y179 AromaticContact CZ-CZ 3.68Å; Q149-Y179 HydrophobicContact CG-CD1 4.36Å; Q149-Y179 VanDerWaalsContact OE1-CD1 3.29Å; I174-Y179 CarbonylContact C-O 3.6Å; I174-Y179 WeakPolarHBondContact CA-O 3.44Å; D175-Y179 VanDerWaalsContact CG-O 3.31Å; D175-Y179 PolarHBondContact N-O 3.48Å; D175-Y179 PolarHBondContact OD1-N 2.6Å; D175-Y179 VanDerWaalsContact OD1-N 3.07Å; Y177-Y179 VanDerWaalsContact C-N 3.31Å; Y177-Y179 PolarHBondContact O-N 2.81Å; Y179-R308 HydrophobicContact CD1-CB 4.34Å; Y179-R308 HydrophobicContact CD1-CG 3.92Å; Y179-R308 HydrophobicContact CE1-CB 3.93Å; Y179-R308 HydrophobicContact CE1-CG 3.87Å; Y179-R308 HydrophobicContact CE2-CB 4.18Å; Y179-R308 HydrophobicContact CG-CG 4.36Å; Y179-R308 VanDerWaalsContact OH-C 3.28Å; Y179-R308 WeakPolarHBondContact OH-CA 3.4Å; Y179-I310 WeakPolarHBondContact CE2-O 3.45Å; Y179-I310 WeakPolarHBondContact OH-CA 3.3Å; Y179-I310 WeakPolarHBondContact OH-CB 3.38Å; Y179-I310 PolarHBondContact OH-N 3.41Å; Y179-I310 PolarHBondContact OH-O 3.18Å
180L98Very high96.4Very high0 Ų029.6 Ų29.60%014%0.137CC..EExtended strand (participates in β ladder)trans-86.4153.2-179.278.381.2000112.6F102 Y146 Q149 V150 I172 L173 I182F102-L180 WeakPolarHBondContact CA-O 3.45Å; F102-L180 HydrophobicContact CB-CD1 3.84Å; F102-L180 HydrophobicContact CB-CG 4.5Å; Y146-L180 HydrophobicContact CD1-CD2 4.47Å; Y146-L180 WeakPolarHBondContact O-CD2 3.47Å; Q149-L180 HydrophobicContact CB-CD1 4.31Å; Q149-L180 HydrophobicContact CB-CD2 3.51Å; Q149-L180 HydrophobicContact CB-CG 3.68Å; Q149-L180 HydrophobicContact CG-CD2 4.44Å; Q149-L180 HydrophobicContact CG-CG 4.43Å; V150-L180 HydrophobicContact CG2-CD2 3.75Å; I172-L180 HydrophobicContact CG2-CB 3.67Å; I172-L180 HydrophobicContact CG2-CD1 4.25Å; I172-L180 HydrophobicContact CG2-CD2 4.2Å; I172-L180 HydrophobicContact CG2-CG 4.27Å; L173-L180 CarbonylContact O-C 3.6Å; L173-L180 VanDerWaalsContact O-CA 3.25Å; L173-L180 WeakPolarHBondContact O-CA 3.29Å; L180-I182 HydrophobicContact CD1-CD1 4.39Å; L180-I182 HydrophobicContact CD1-CG1 3.64Å
181K98.4Very high96.3Very high20 Ų2027.4 Ų27.49%0.08713%0.128CC..EExtended strand (participates in β ladder)trans-131.1111.5168.3-71.4-76.1-172.9159.50108.4P101 F102 L103 E121 V123 L173 T183P101-K181 VanDerWaalsContact O-CE 3.23Å; P101-K181 WeakPolarHBondContact O-CE 3.36Å; P101-K181 PolarHBondContact O-NZ 2.85Å; F102-K181 WeakPolarHBondContact O-CA 3.32Å; L103-K181 PolarHBondContact O-NZ 2.66Å; E121-K181 VanDerWaalsContact CD-NZ 3.29Å; E121-K181 WeakPolarHBondContact OE1-CE 3.48Å; E121-K181 IonicContact OE1-NZ 2.9Å; E121-K181 PolarHBondContact OE1-NZ 3.49Å; E121-K181 IonicContact OE2-NZ 3.52Å; E121-K181 PolarHBondContact OE2-NZ 2.87Å; V123-K181 HydrophobicContact CG1-CB 4.29Å; V123-K181 HydrophobicContact CG1-CG 4.25Å; V123-K181 HydrophobicContact CG2-CB 3.93Å; V123-K181 HydrophobicContact CG2-CG 3.87Å; L173-K181 HydrophobicContact CB-CB 4.43Å; L173-K181 PolarHBondContact N-O 3.38Å; L173-K181 PolarHBondContact O-N 2.78Å; K181-T183 PolarHBondContact O-N 2.84Å
182I98.7Very high96Very high0 Ų034.4 Ų34.40%016%0.157CC..EExtended strand (participates in β ladder)trans-70.7126.7171.9-57.9179.9000108F102 L103 V104 A153 Y164 L180 F185F102-I182 PolarHBondContact O-N 2.93Å; L103-I182 HydrophobicContact CD2-CB 3.76Å; L103-I182 HydrophobicContact CD2-CD1 3.97Å; L103-I182 HydrophobicContact CD2-CG1 4.19Å; L103-I182 HydrophobicContact CD2-CG2 4.41Å; V104-I182 WeakPolarHBondContact CB-O 3.23Å; V104-I182 WeakPolarHBondContact CG1-O 3.47Å; V104-I182 PolarHBondContact N-O 3.18Å; A153-I182 HydrophobicContact CB-CD1 3.73Å; Y164-I182 HydrophobicContact CD2-CG2 4.41Å; Y164-I182 HydrophobicContact CE1-CG2 3.87Å; Y164-I182 HydrophobicContact CE2-CG2 3.72Å; Y164-I182 VanDerWaalsContact CZ-CG2 3.43Å; Y164-I182 WeakPolarHBondContact OH-CG2 3.42Å; L180-I182 HydrophobicContact CD1-CD1 4.39Å; L180-I182 HydrophobicContact CD1-CG1 3.64Å; I182-F185 HydrophobicContact CG2-CE2 4.27Å
183T96.9Very high95.8Very high27 Ų2737 Ų3717%0.16618%0.184CC..  trans-116.6-173.4178.6-168.60000110.9Y164 N171 L173 K181Y164-T183 PolarHBondContact OH-O 3.17Å; N171-T183 WeakPolarHBondContact O-CG2 3.26Å; N171-T183 PolarHBondContact O-N 2.72Å; L173-T183 HydrophobicContact CD1-CG2 4.05Å; L173-T183 HydrophobicContact CD2-CG2 4.5Å; L173-T183 HydrophobicContact CG-CG2 3.91Å; K181-T183 PolarHBondContact O-N 2.84Å
184D93.6Very high95.6Very high53 Ų5344.1 Ų44.128%0.28321%0.209SC..  trans49.188.6178.3-160.9-6.7000115.2K72 Y164 G186K72-D184 IonicContact NZ-OD1 3.58Å; Y164-D184 VanDerWaalsContact CE2-O 3.27Å; Y164-D184 WeakPolarHBondContact CE2-O 3.44Å; Y164-D184 PolarHBondContact OH-O 3.34Å; D184-G186 VanDerWaalsContact C-N 3.32Å; D184-G186 PolarHBondContact OD1-N 2.94Å; D184-G186 VanDerWaalsContact OD1-N 3.15Å
185F96.2Very high95.5Very high0 Ų044.4 Ų44.40%021%0.211CC..  trans-96.319.3179-82.2-113.8000112E91 I94 L95 I98 L103 L157 Y164 I182 F187 A188E91-F185 HydrophobicContact CG-CB 4.07Å; I94-F185 HydrophobicContact CG2-CD1 3.71Å; I94-F185 HydrophobicContact CG2-CE1 4.21Å; L95-F185 HydrophobicContact CD1-CB 4.3Å; L95-F185 HydrophobicContact CD2-CB 4.09Å; L95-F185 HydrophobicContact CD2-CD1 4.44Å; L95-F185 HydrophobicContact CD2-CD2 3.6Å; L95-F185 HydrophobicContact CD2-CE2 4.11Å; L95-F185 HydrophobicContact CD2-CG 3.79Å; L95-F185 HydrophobicContact CG-CB 3.94Å; L95-F185 HydrophobicContact CG-CD2 4.4Å; L95-F185 HydrophobicContact CG-CG 4.15Å; I98-F185 HydrophobicContact CD1-CD1 4.08Å; I98-F185 HydrophobicContact CD1-CE1 3.43Å; I98-F185 VanDerWaalsContact CD1-CE1 3.43Å; I98-F185 HydrophobicContact CD1-CE2 4.35Å; I98-F185 HydrophobicContact CD1-CZ 3.59Å; L103-F185 HydrophobicContact CB-CZ 4.47Å; L103-F185 HydrophobicContact CD1-CZ 4.25Å; L103-F185 HydrophobicContact CD2-CZ 3.96Å; L103-F185 HydrophobicContact CG-CZ 4.44Å; L157-F185 HydrophobicContact CD1-CE1 4.25Å; L157-F185 HydrophobicContact CD1-CZ 4.46Å; L157-F185 HydrophobicContact CD2-CE1 4.08Å; Y164-F185 HydrophobicContact CD2-CD1 4.28Å; Y164-F185 HydrophobicContact CD2-CE1 4.18Å; Y164-F185 HydrophobicContact CD2-CE2 4.5Å; Y164-F185 HydrophobicContact CD2-CG 4.49Å; Y164-F185 HydrophobicContact CD2-CZ 4.29Å; Y164-F185 HydrophobicContact CE2-CD1 4.49Å; Y164-F185 HydrophobicContact CE2-CD2 4.04Å; Y164-F185 HydrophobicContact CE2-CE2 4.07Å; Y164-F185 HydrophobicContact CE2-CG 4.26Å; Y164-F185 HydrophobicContact CE2-CZ 4.31Å; I182-F185 HydrophobicContact CG2-CE2 4.27Å; F185-F187 PolarHBondContact O-N 3Å; F185-A188 HydrophobicContact CB-CB 3.95Å; F185-A188 HydrophobicContact CD1-CB 3.56Å; F185-A188 HydrophobicContact CE1-CB 4.47Å; F185-A188 HydrophobicContact CG-CB 4.13Å; F185-A188 WeakPolarHBondContact O-CB 3.38Å; F185-A188 PolarHBondContact O-N 2.94Å
186G92.8Very high95.5Very high10 Ų1052.2 Ų52.210%0.10324%0.24CC..THydrogen-bonded Turntrans-57.4-31.1-177.800000114.4D184D184-G186 VanDerWaalsContact C-N 3.32Å; D184-G186 PolarHBondContact OD1-N 2.94Å; D184-G186 VanDerWaalsContact OD1-N 3.15Å
187F94Very high95.4Very high57 Ų5751 Ų5125%0.2524%0.238CC..THydrogen-bonded Turntrans-102.51.6173.9-58.3-28.8000113.6Y164 R165 D166 F185 K189 C199Y164-F187 CarbonylContact O-C 3.49Å; R165-F187 HydrophobicContact CB-CB 4.22Å; R165-F187 PolarHBondContact NE-O 3.21Å; R165-F187 PolarHBondContact NH2-O 2.84Å; D166-F187 HydrophobicContact CB-CB 4.43Å; D166-F187 HydrophobicContact CB-CD2 3.71Å; D166-F187 HydrophobicContact CB-CE2 4.46Å; F185-F187 PolarHBondContact O-N 3Å; F187-K189 PolarHBondContact O-N 2.84Å; F187-C199 HydrophobicContact CD1-CB 4.07Å; F187-C199 HydrophobicContact CD2-CB 4.09Å; F187-C199 HydrophobicContact CE1-CB 4.32Å; F187-C199 HydrophobicContact CE2-CB 4.37Å; F187-C199 HydrophobicContact CG-CB 3.98Å; F187-C199 HydrophobicContact CZ-CB 4.48Å
188A96.8Very high95.2Very high3 Ų349.5 Ų49.53%0.02524%0.239CC..  trans-65.1140.5176.300000110.4I94 V163 Y164 F185I94-A188 VanDerWaalsContact CD1-C 3.44Å; I94-A188 HydrophobicContact CD1-CB 3.65Å; I94-A188 VanDerWaalsContact CD1-O 3.3Å; I94-A188 WeakPolarHBondContact CD1-O 3.47Å; I94-A188 HydrophobicContact CG2-CB 4.48Å; V163-A188 VanDerWaalsContact O-CA 3.3Å; V163-A188 WeakPolarHBondContact O-CA 3.42Å; Y164-A188 PolarHBondContact O-N 3.2Å; F185-A188 HydrophobicContact CB-CB 3.95Å; F185-A188 HydrophobicContact CD1-CB 3.56Å; F185-A188 HydrophobicContact CE1-CB 4.47Å; F185-A188 HydrophobicContact CG-CB 4.13Å; F185-A188 WeakPolarHBondContact O-CB 3.38Å; F185-A188 PolarHBondContact O-N 2.94Å
189K96Very high95Very high51 Ų5150.1 Ų50.122%0.22224%0.243CC..EExtended strand (participates in β ladder)trans-147140.9179.2-172.8166-175.81540111.3E86 L162 V163 F187 V191E86-K189 IonicContact OE1-NZ 3.24Å; E86-K189 PolarHBondContact OE1-NZ 3.44Å; L162-K189 WeakPolarHBondContact CA-O 3.34Å; V163-K189 PolarHBondContact N-O 2.85Å; V163-K189 PolarHBondContact O-N 2.86Å; F187-K189 PolarHBondContact O-N 2.84Å; K189-V191 HydrophobicContact CB-CG2 4.08Å; K189-V191 HydrophobicContact CD-CG2 4.32Å; K189-V191 HydrophobicContact CG-CG2 3.86Å; K189-V191 PolarHBondContact O-N 3.24Å
190R95.9Very high94.8Very high61 Ų6151 Ų5123%0.2325%0.253CS..EExtended strand (participates in β ladder)trans-78.5116.1168.8-163.3174.8174.1-172.9-3.1109.8W30 E161 L162W30-R190 VanDerWaalsContact CD1-NH1 3.26Å; W30-R190 HydrophobicContact CH2-CB 4.4Å; W30-R190 HydrophobicContact CZ2-CB 4.4Å; E161-R190 HydrophobicContact CB-CG 4.2Å; E161-R190 CarbonylContact O-C 3.46Å; E161-R190 VanDerWaalsContact O-CA 3.28Å; E161-R190 WeakPolarHBondContact O-CA 3.2Å; E161-R190 IonicContact OE2-CZ 3.79Å; E161-R190 IonicContact OE2-NE 2.86Å; E161-R190 PolarHBondContact OE2-NE 2.83Å; E161-R190 IonicContact OE2-NH2 2.65Å; E161-R190 PolarHBondContact OE2-NH2 2.81Å; L162-R190 HydrophobicContact CD2-CB 3.78Å; L162-R190 HydrophobicContact CD2-CG 4.18Å
191V94.1Very high94.6Very high18 Ų1852.1 Ų52.111%0.10926%0.261CS..  trans-129.8111.7-171.8-1780000110.4E161 V163 K189 T195E161-V191 PolarHBondContact O-N 2.59Å; V163-V191 HydrophobicContact CG2-CB 4.13Å; V163-V191 HydrophobicContact CG2-CG2 4.23Å; K189-V191 HydrophobicContact CB-CG2 4.08Å; K189-V191 HydrophobicContact CD-CG2 4.32Å; K189-V191 HydrophobicContact CG-CG2 3.86Å; K189-V191 PolarHBondContact O-N 3.24Å; V191-T195 HydrophobicContact CG1-CG2 4.38Å; V191-T195 HydrophobicContact CG2-CG2 4.04Å
192K90.7Very high94.6Very high159 Ų15953 Ų5369%0.69127%0.268SS*.SBendtrans-90.3100165-67.5-174.9178.8-178.40108.8E161E161-K192 VanDerWaalsContact CD-CE 3.45Å; E161-K192 WeakPolarHBondContact OE1-CE 3.46Å; E161-K192 WeakPolarHBondContact OE1-CG 3.28Å; E161-K192 WeakPolarHBondContact OE2-CE 3.23Å
193G92.9Very high94.5Very high54 Ų5455.7 Ų55.756%0.55728%0.281SS*.SBendtrans95.7-101.2-179.200000113N216G193-N216 VanDerWaalsContact O-CB 3.27Å; G193-N216 WeakPolarHBondContact O-CB 3.48Å
194R94.9Very high94.6Very high170 Ų17055.1 Ų55.164%0.64228%0.276SS*.  trans-126.8154.1-172.3-62.6-177.9-171.9175.22.8113.3W196 Y215R194-W196 HydrophobicContact CB-CH2 4.02Å; R194-W196 HydrophobicContact CB-CZ2 4.19Å; R194-W196 HydrophobicContact CB-CZ3 4.47Å; R194-W196 VanDerWaalsContact O-CZ3 3.27Å; R194-W196 WeakPolarHBondContact O-CZ3 3.5Å; R194-Y215 CarbonylContact C-O 3.6Å; R194-Y215 VanDerWaalsContact CA-O 3.23Å; R194-Y215 WeakPolarHBondContact CA-O 3.28Å
195T94.8Very high94.8Very high6 Ų653 Ų534%0.03726%0.264CS..BIsolated β-bridgetrans-133.9166.9170-1740000109.8V191 G214 Y215V191-T195 HydrophobicContact CG1-CG2 4.38Å; V191-T195 HydrophobicContact CG2-CG2 4.04Å; T195-G214 CarbonylContact O-C 3.45Å; T195-G214 WeakPolarHBondContact O-CA 3.35Å; T195-Y215 HydrophobicContact CG2-CD2 3.8Å; T195-Y215 HydrophobicContact CG2-CE1 4.11Å; T195-Y215 HydrophobicContact CG2-CE2 3.31Å; T195-Y215 HydrophobicContact CG2-CG 4.38Å; T195-Y215 VanDerWaalsContact CG2-CZ 3.49Å; T195-Y215 PolarHBondContact N-O 3.1Å; T195-Y215 WeakPolarHBondContact O-CD1 3.16Å; T195-Y215 PolarHBondContact O-N 2.73Å
196W95.4Very high94.9Very high178 Ų17853 Ų5367%0.67427%0.265SS*.  trans-131.5-8.8-170.1-67.4-98.4000115.1R194 L198R194-W196 HydrophobicContact CB-CH2 4.02Å; R194-W196 HydrophobicContact CB-CZ2 4.19Å; R194-W196 HydrophobicContact CB-CZ3 4.47Å; R194-W196 VanDerWaalsContact O-CZ3 3.27Å; R194-W196 WeakPolarHBondContact O-CZ3 3.5Å; W196-L198 PolarHBondContact O-N 3.41Å
197T91.5Very high95.1Very high53 Ų5352.7 Ų52.733%0.32526%0.261SS..  trans-63.9126.2-176.1-48.20000110.9C199 Y215T197-C199 HydrophobicContact CG2-CB 4.4Å; T197-C199 PolarHBondContact O-N 2.94Å; T197-Y215 WeakPolarHBondContact O-CE1 3.34Å; T197-Y215 PolarHBondContact O-OH 3.26Å
198L93Very high95.3Very high114 Ų11450.2 Ų50.260%0.59725%0.25SC*.  trans-74107.7167.6-173.196.8000108.7W196 I209W196-L198 PolarHBondContact O-N 3.41Å; L198-I209 HydrophobicContact CD1-CG2 3.91Å
199C92.9Very high95.3Very high13 Ų1350.4 Ų50.49%0.08825%0.25CS..  trans-151.9163.1177.563.60000110.2F187 T197 L205F187-C199 HydrophobicContact CD1-CB 4.07Å; F187-C199 HydrophobicContact CD2-CB 4.09Å; F187-C199 HydrophobicContact CE1-CB 4.32Å; F187-C199 HydrophobicContact CE2-CB 4.37Å; F187-C199 HydrophobicContact CG-CB 3.98Å; F187-C199 HydrophobicContact CZ-CB 4.48Å; T197-C199 HydrophobicContact CG2-CB 4.4Å; T197-C199 PolarHBondContact O-N 2.94Å; C199-L205 WeakPolarHBondContact O-CD2 3.5Å
200G93.5Very high95.4Very high23 Ų2349.5 Ų49.524%0.23725%0.247CC..SBendtrans112.9-177.3-176.700000112.1D166D166-G200 WeakPolarHBondContact OD1-CA 3.46Å
201T94.6Very high95.4Very high25 Ų2550.6 Ų50.615%0.15326%0.257CS..  trans-98.6135.2-176-57.30000110.6D166 K168 E203 Y204 L205D166-T201 PolarHBondContact OD1-N 2.98Å; D166-T201 PolarHBondContact OD1-OG1 3.27Å; K168-T201 HydrophobicContact CD-CG2 4.19Å; K168-T201 WeakPolarHBondContact CD-OG1 3.35Å; K168-T201 PolarHBondContact NZ-OG1 3.14Å; T201-E203 PolarHBondContact O-N 2.62Å; T201-E203 VanDerWaalsContact O-N 3.16Å; T201-Y204 PolarHBondContact O-N 3.36Å; T201-L205 PolarHBondContact O-N 3.37Å
202P96.6Very high95.5Very high37 Ų3754.2 Ų54.224%0.2428%0.284CS..G310 helixtrans-49.4-45.7-167.1-32.137.3000116Y204 L205 I246 Y247 I250P202-Y204 PolarHBondContact O-N 3.02Å; P202-L205 PolarHBondContact O-N 3.44Å; P202-I246 HydrophobicContact CB-CD1 4.39Å; P202-Y247 HydrophobicContact CB-CE1 3.86Å; P202-I250 WeakPolarHBondContact O-CD1 3.16Å
203E97.3Very high95.7Very high57 Ų5752.3 Ų52.327%0.26628%0.275SS..G310 helixtrans-66.6-23.1-178.6-65.478.7-177.300113T201 V226 P236 I246T201-E203 PolarHBondContact O-N 2.62Å; T201-E203 VanDerWaalsContact O-N 3.16Å; E203-V226 WeakPolarHBondContact O-CG1 3.16Å; E203-P236 HydrophobicContact CB-CB 4.33Å; E203-P236 HydrophobicContact CB-CG 4.38Å; E203-P236 HydrophobicContact CG-CG 4.11Å; E203-I246 HydrophobicContact CG-CD1 4.19Å
204Y98.4Very high95.7Very high15 Ų1550.5 Ų50.56%0.05926%0.257CS..G310 helixtrans-104-6.9-173.9-79.1-96.6000113.6L167 K168 P169 T201 P202 A206 A223 V226 L227 E230L167-Y204 WeakPolarHBondContact O-CD1 3.5Å; L167-Y204 WeakPolarHBondContact O-CE1 3.21Å; K168-Y204 HydrophobicContact CB-CD2 4.14Å; K168-Y204 HydrophobicContact CB-CE2 4.06Å; K168-Y204 HydrophobicContact CB-CG 4.48Å; P169-Y204 VanDerWaalsContact CD-OH 3.29Å; P169-Y204 WeakPolarHBondContact CD-OH 3.42Å; T201-Y204 PolarHBondContact O-N 3.36Å; P202-Y204 PolarHBondContact O-N 3.02Å; Y204-A206 PolarHBondContact O-N 3.49Å; Y204-A223 HydrophobicContact CD1-CB 4.19Å; Y204-V226 HydrophobicContact CD1-CB 3.69Å; Y204-V226 HydrophobicContact CD1-CG1 3.58Å; Y204-V226 HydrophobicContact CD2-CG1 4.01Å; Y204-V226 HydrophobicContact CE1-CB 3.72Å; Y204-V226 HydrophobicContact CE1-CG1 3.49Å; Y204-V226 VanDerWaalsContact CE1-CG1 3.49Å; Y204-V226 HydrophobicContact CE2-CG1 3.88Å; Y204-V226 HydrophobicContact CG-CB 4.34Å; Y204-V226 HydrophobicContact CG-CG1 3.86Å; Y204-L227 HydrophobicContact CE1-CB 4.01Å; Y204-L227 HydrophobicContact CE1-CD1 4.5Å; Y204-E230 WeakPolarHBondContact CE2-OE2 3.25Å; Y204-E230 PolarHBondContact OH-OE2 3.14Å
205L98Very high95.8Very high9 Ų942.6 Ų42.65%0.04723%0.227CC..  trans-63.5134.2180-69.4-176000111.7C199 T201 P202 I209 I210 W222 Y247C199-L205 WeakPolarHBondContact O-CD2 3.5Å; T201-L205 PolarHBondContact O-N 3.37Å; P202-L205 PolarHBondContact O-N 3.44Å; L205-I209 HydrophobicContact CD2-CD1 4.3Å; L205-I209 HydrophobicContact CD2-CG2 4.05Å; L205-I210 HydrophobicContact CB-CD1 4.04Å; L205-I210 HydrophobicContact CB-CG1 3.95Å; L205-I210 HydrophobicContact CD1-CG1 4.15Å; L205-W222 PolarHBondContact O-NE1 3Å; L205-W222 VanDerWaalsContact O-NE1 3.08Å; L205-Y247 HydrophobicContact CD1-CE1 3.85Å
206A98.2Very high95.9Very high1 Ų144.2 Ų44.21%0.00824%0.236CC..  trans-74.4149.5171.100000111.1Y204 E208 I209 I210 V219 W222Y204-A206 PolarHBondContact O-N 3.49Å; A206-E208 HydrophobicContact CB-CG 4.35Å; A206-E208 PolarHBondContact O-N 2.69Å; A206-E208 VanDerWaalsContact O-N 3.16Å; A206-I209 HydrophobicContact CB-CD1 4.36Å; A206-I209 HydrophobicContact CB-CG1 4.43Å; A206-I209 WeakPolarHBondContact O-CB 3.13Å; A206-I209 PolarHBondContact O-N 3.04Å; A206-I210 PolarHBondContact O-N 3.07Å; A206-V219 HydrophobicContact CB-CB 3.92Å; A206-V219 HydrophobicContact CB-CG1 3.79Å; A206-W222 HydrophobicContact CB-CB 3.98Å; A206-W222 HydrophobicContact CB-CD2 4.4Å; A206-W222 HydrophobicContact CB-CG 3.85Å
207P98.2Very high96Very high2 Ų239.7 Ų39.71%0.01322%0.221CC..Hα-helixtrans-54-38.2-178.8-26.532.8000113.8I209 I210 L211 W222 I250 V275P207-I209 VanDerWaalsContact C-N 3.31Å; P207-I209 PolarHBondContact O-N 3.01Å; P207-I210 PolarHBondContact O-N 3.25Å; P207-L211 WeakPolarHBondContact O-CB 3.26Å; P207-L211 VanDerWaalsContact O-CG 3.24Å; P207-L211 WeakPolarHBondContact O-CG 3.26Å; P207-L211 PolarHBondContact O-N 3.21Å; P207-W222 HydrophobicContact CG-CE3 4.26Å; P207-W222 HydrophobicContact CG-CH2 3.62Å; P207-W222 HydrophobicContact CG-CZ2 4.02Å; P207-W222 HydrophobicContact CG-CZ3 3.74Å; P207-I250 HydrophobicContact CB-CG2 4.29Å; P207-I250 HydrophobicContact CG-CG2 3.72Å; P207-V275 HydrophobicContact CB-CG1 4.02Å; P207-V275 HydrophobicContact CG-CB 4.35Å; P207-V275 HydrophobicContact CG-CG1 4.07Å; P207-V275 HydrophobicContact CG-CG2 4.12Å
208E97.9Very high96.3Very high5 Ų537.1 Ų37.12%0.02321%0.205CC..Hα-helixtrans-67.1-27.6179.360.6-91.4-146.900114.1A206 S212 K213 V219 L277 R280A206-E208 HydrophobicContact CB-CG 4.35Å; A206-E208 PolarHBondContact O-N 2.69Å; A206-E208 VanDerWaalsContact O-N 3.16Å; E208-S212 PolarHBondContact O-N 2.9Å; E208-K213 HydrophobicContact CB-CB 4.29Å; E208-K213 WeakPolarHBondContact O-CB 3.27Å; E208-K213 PolarHBondContact O-N 2.89Å; E208-V219 HydrophobicContact CG-CG1 4.01Å; E208-V219 WeakPolarHBondContact OE1-CG1 2.97Å; E208-L277 HydrophobicContact CB-CD2 4.25Å; E208-L277 HydrophobicContact CG-CD2 4.32Å; E208-R280 IonicContact OE1-CZ 3.14Å; E208-R280 IonicContact OE1-NH1 3.74Å; E208-R280 PolarHBondContact OE1-NH1 3.05Å; E208-R280 IonicContact OE1-NH2 3.37Å; E208-R280 IonicContact OE2-CZ 3.71Å; E208-R280 IonicContact OE2-NH1 2.69Å; E208-R280 PolarHBondContact OE2-NH1 3.08Å; E208-R280 IonicContact OE2-NH2 2.68Å; E208-R280 PolarHBondContact OE2-NH2 3.31Å
209I97.6Very high96.6Very high7 Ų732 Ų324%0.03618%0.178CC..Hα-helixtrans-71-48.5173.4-61.8174.7000109.1L198 L205 A206 P207 L211 S212 Y215 V219L198-I209 HydrophobicContact CD1-CG2 3.91Å; L205-I209 HydrophobicContact CD2-CD1 4.3Å; L205-I209 HydrophobicContact CD2-CG2 4.05Å; A206-I209 HydrophobicContact CB-CD1 4.36Å; A206-I209 HydrophobicContact CB-CG1 4.43Å; A206-I209 WeakPolarHBondContact O-CB 3.13Å; A206-I209 PolarHBondContact O-N 3.04Å; P207-I209 VanDerWaalsContact C-N 3.31Å; P207-I209 PolarHBondContact O-N 3.01Å; I209-L211 VanDerWaalsContact C-N 3.3Å; I209-L211 PolarHBondContact O-N 2.67Å; I209-S212 PolarHBondContact O-N 3.45Å; I209-Y215 HydrophobicContact CD1-CD2 4.45Å; I209-Y215 HydrophobicContact CD1-CE2 4.26Å; I209-Y215 HydrophobicContact CG1-CD1 3.77Å; I209-Y215 HydrophobicContact CG1-CD2 4.15Å; I209-Y215 HydrophobicContact CG1-CE1 3.89Å; I209-Y215 HydrophobicContact CG1-CE2 4.25Å; I209-Y215 HydrophobicContact CG1-CG 3.9Å; I209-Y215 HydrophobicContact CG2-CE1 4.5Å; I209-V219 HydrophobicContact CD1-CB 3.89Å; I209-V219 HydrophobicContact CD1-CG1 3.77Å; I209-V219 HydrophobicContact CD1-CG2 4.28Å; I209-V219 HydrophobicContact CG1-CG1 3.86Å
210I97.1Very high96.8Very high32 Ų3231.4 Ų31.416%0.16418%0.175CC..Hα-helixtrans-58.8-44.2178.8-65.7163.7000110.7L205 A206 P207 S212 Y247 I250 V251L205-I210 HydrophobicContact CB-CD1 4.04Å; L205-I210 HydrophobicContact CB-CG1 3.95Å; L205-I210 HydrophobicContact CD1-CG1 4.15Å; A206-I210 PolarHBondContact O-N 3.07Å; P207-I210 PolarHBondContact O-N 3.25Å; I210-S212 PolarHBondContact O-N 2.81Å; I210-S212 VanDerWaalsContact O-N 3.14Å; I210-Y247 HydrophobicContact CD1-CD1 3.84Å; I210-Y247 HydrophobicContact CD1-CG 4.25Å; I210-Y247 HydrophobicContact CG1-CD1 4.06Å; I210-Y247 HydrophobicContact CG1-CG 4.33Å; I210-Y247 HydrophobicContact CG2-CG 4.19Å; I210-I250 HydrophobicContact CD1-CB 3.83Å; I210-I250 HydrophobicContact CD1-CD1 3.84Å; I210-I250 HydrophobicContact CD1-CG1 4.44Å; I210-I250 HydrophobicContact CD1-CG2 3.47Å; I210-I250 VanDerWaalsContact CD1-CG2 3.47Å; I210-V251 HydrophobicContact CB-CG2 4.36Å; I210-V251 HydrophobicContact CG2-CG2 3.91Å
211L96.3Very high97.1Very high84 Ų8430.5 Ų30.544%0.4416%0.164SC..THydrogen-bonded Turntrans-75.78.2177.8-64.2173.1000113.6P207 I209 K213 V251P207-L211 WeakPolarHBondContact O-CB 3.26Å; P207-L211 VanDerWaalsContact O-CG 3.24Å; P207-L211 WeakPolarHBondContact O-CG 3.26Å; P207-L211 PolarHBondContact O-N 3.21Å; I209-L211 VanDerWaalsContact C-N 3.3Å; I209-L211 PolarHBondContact O-N 2.67Å; L211-K213 HydrophobicContact CB-CD 4.38Å; L211-K213 HydrophobicContact CB-CG 4.19Å; L211-K213 PolarHBondContact O-N 3.15Å; L211-K213 VanDerWaalsContact O-N 3.14Å; L211-V251 HydrophobicContact CD1-CG1 4.3Å; L211-V251 HydrophobicContact CD2-CG1 4.23Å; L211-V251 HydrophobicContact CD2-CG2 4.27Å; L211-V251 HydrophobicContact CG-CG2 4.21Å
212S94.8Very high97.3Very high94 Ų9429.3 Ų29.366%0.65716%0.157SC*.THydrogen-bonded Turntrans55.433.2176-58.20000113.4E208 I209 I210E208-S212 PolarHBondContact O-N 2.9Å; I209-S212 PolarHBondContact O-N 3.45Å; I210-S212 PolarHBondContact O-N 2.81Å; I210-S212 VanDerWaalsContact O-N 3.14Å
213K95.1Very high97.4Very high119 Ų11927.9 Ų27.952%0.51715%0.148SC..  trans-85.8152.3175.5-64-179.7-179175.70109.5E208 L211 Y215E208-K213 HydrophobicContact CB-CB 4.29Å; E208-K213 WeakPolarHBondContact O-CB 3.27Å; E208-K213 PolarHBondContact O-N 2.89Å; L211-K213 HydrophobicContact CB-CD 4.38Å; L211-K213 HydrophobicContact CB-CG 4.19Å; L211-K213 PolarHBondContact O-N 3.15Å; L211-K213 VanDerWaalsContact O-N 3.14Å; K213-Y215 WeakPolarHBondContact O-CD1 3.43Å; K213-Y215 PolarHBondContact O-N 2.88Å
214G94.4Very high97.5Very high17 Ų1725.2 Ų25.218%0.17514%0.135CC..  trans-62.1119.1166.200000109.6T195T195-G214 CarbonylContact O-C 3.45Å; T195-G214 WeakPolarHBondContact O-CA 3.35Å
215Y96.7Very high97.5Very high4 Ų424.5 Ų24.52%0.01613%0.132CC..BIsolated β-bridgetrans-117.6165-173.665.1-94.4000111.9R165 R194 T195 T197 I209 K213 V219R165-Y215 WeakPolarHBondContact CD-OH 3.36Å; R165-Y215 HydrophobicContact CG-CE2 4.49Å; R165-Y215 PolarHBondContact NH1-OH 3.26Å; R194-Y215 CarbonylContact C-O 3.6Å; R194-Y215 VanDerWaalsContact CA-O 3.23Å; R194-Y215 WeakPolarHBondContact CA-O 3.28Å; T195-Y215 HydrophobicContact CG2-CD2 3.8Å; T195-Y215 HydrophobicContact CG2-CE1 4.11Å; T195-Y215 HydrophobicContact CG2-CE2 3.31Å; T195-Y215 HydrophobicContact CG2-CG 4.38Å; T195-Y215 VanDerWaalsContact CG2-CZ 3.49Å; T195-Y215 PolarHBondContact N-O 3.1Å; T195-Y215 WeakPolarHBondContact O-CD1 3.16Å; T195-Y215 PolarHBondContact O-N 2.73Å; T197-Y215 WeakPolarHBondContact O-CE1 3.34Å; T197-Y215 PolarHBondContact O-OH 3.26Å; I209-Y215 HydrophobicContact CD1-CD2 4.45Å; I209-Y215 HydrophobicContact CD1-CE2 4.26Å; I209-Y215 HydrophobicContact CG1-CD1 3.77Å; I209-Y215 HydrophobicContact CG1-CD2 4.15Å; I209-Y215 HydrophobicContact CG1-CE1 3.89Å; I209-Y215 HydrophobicContact CG1-CE2 4.25Å; I209-Y215 HydrophobicContact CG1-CG 3.9Å; I209-Y215 HydrophobicContact CG2-CE1 4.5Å; K213-Y215 WeakPolarHBondContact O-CD1 3.43Å; K213-Y215 PolarHBondContact O-N 2.88Å; Y215-V219 HydrophobicContact CD2-CB 4.42Å; Y215-V219 HydrophobicContact CD2-CG1 3.56Å; Y215-V219 HydrophobicContact CD2-CG2 4Å; Y215-V219 HydrophobicContact CE2-CG1 4.37Å; Y215-V219 HydrophobicContact CE2-CG2 4.18Å; Y215-V219 HydrophobicContact CG-CG1 3.96Å
216N96.2Very high97.6Very high40 Ų4024 Ų2421%0.21413%0.13CC..  trans-131.3-163.5-177.172.6-0.9000110.7G193 A218 V219 N283G193-N216 VanDerWaalsContact O-CB 3.27Å; G193-N216 WeakPolarHBondContact O-CB 3.48Å; N216-A218 PolarHBondContact O-N 2.96Å; N216-A218 WeakPolarHBondContact OD1-CB 3.47Å; N216-A218 PolarHBondContact OD1-N 3.15Å; N216-V219 WeakPolarHBondContact O-CG2 3.25Å; N216-V219 PolarHBondContact O-N 3.3Å; N216-N283 PolarHBondContact ND2-OD1 2.9Å
217K97.7Very high97.6Very high82 Ų8224 Ų2436%0.35713%0.13SC..THydrogen-bonded Turntrans-56.2-14177.767.2177.7179.9176.30116.3H158 V163 V219 D220H158-K217 HydrophobicContact CB-CD 3.86Å; H158-K217 PolarHBondContact CE1-O 2.79Å; V163-K217 HydrophobicContact CG2-CB 4.11Å; K217-V219 PolarHBondContact O-N 3.13Å; K217-D220 PolarHBondContact O-N 3.17Å
218A98.1Very high97.6Very high0 Ų024 Ų240%013%0.13CC..Hα-helixtrans-62.7-19.1177.700000113.9N216 W221 W222 R280 N283N216-A218 PolarHBondContact O-N 2.96Å; N216-A218 WeakPolarHBondContact OD1-CB 3.47Å; N216-A218 PolarHBondContact OD1-N 3.15Å; A218-W221 PolarHBondContact O-N 2.9Å; A218-W222 PolarHBondContact O-N 2.89Å; A218-R280 PolarHBondContact O-NH1 3.06Å; A218-N283 HydrophobicContact CB-CB 3.84Å
219V98.4Very high97.7Very high6 Ų624 Ų244%0.03613%0.13CC..Hα-helixtrans-69.5-33.3177.1-55.60000112.2V163 R165 A206 E208 I209 Y215 N216 K217 W222 A223V163-V219 HydrophobicContact CG1-CG2 3.89Å; R165-V219 HydrophobicContact CG-CG2 4.35Å; A206-V219 HydrophobicContact CB-CB 3.92Å; A206-V219 HydrophobicContact CB-CG1 3.79Å; E208-V219 HydrophobicContact CG-CG1 4.01Å; E208-V219 WeakPolarHBondContact OE1-CG1 2.97Å; I209-V219 HydrophobicContact CD1-CB 3.89Å; I209-V219 HydrophobicContact CD1-CG1 3.77Å; I209-V219 HydrophobicContact CD1-CG2 4.28Å; I209-V219 HydrophobicContact CG1-CG1 3.86Å; Y215-V219 HydrophobicContact CD2-CB 4.42Å; Y215-V219 HydrophobicContact CD2-CG1 3.56Å; Y215-V219 HydrophobicContact CD2-CG2 4Å; Y215-V219 HydrophobicContact CE2-CG1 4.37Å; Y215-V219 HydrophobicContact CE2-CG2 4.18Å; Y215-V219 HydrophobicContact CG-CG1 3.96Å; N216-V219 WeakPolarHBondContact O-CG2 3.25Å; N216-V219 PolarHBondContact O-N 3.3Å; K217-V219 PolarHBondContact O-N 3.13Å; V219-W222 WeakPolarHBondContact O-CB 3.37Å; V219-W222 PolarHBondContact O-N 3.38Å; V219-A223 PolarHBondContact O-N 3.37Å
220D98.8Very high97.7Very high1 Ų124 Ų241%0.00513%0.129CC..Hα-helixtrans-67.5-38.7176-72-18.2000110.5F154 H158 V163 Y164 R165 K217 W222 A223 L224F154-D220 HydrophobicContact CD2-CB 3.97Å; F154-D220 HydrophobicContact CE1-CB 4.29Å; F154-D220 HydrophobicContact CE2-CB 3.7Å; F154-D220 VanDerWaalsContact CE2-O 3.24Å; F154-D220 WeakPolarHBondContact CE2-O 3.45Å; F154-D220 HydrophobicContact CG-CB 4.37Å; F154-D220 HydrophobicContact CZ-CB 3.85Å; H158-D220 IonicContact CD2-OD2 3.53Å; H158-D220 IonicContact CE1-OD2 3.18Å; H158-D220 IonicContact NE2-OD2 3.1Å; H158-D220 PolarHBondContact NE2-OD2 2.89Å; V163-D220 VanDerWaalsContact CG1-OD2 3.29Å; V163-D220 WeakPolarHBondContact CG1-OD2 3.29Å; Y164-D220 PolarHBondContact N-OD1 3.16Å; Y164-D220 PolarHBondContact N-OD2 3.24Å; R165-D220 PolarHBondContact N-OD1 3.45Å; K217-D220 PolarHBondContact O-N 3.17Å; D220-W222 PolarHBondContact O-N 3.41Å; D220-A223 PolarHBondContact O-N 3.07Å; D220-L224 PolarHBondContact O-N 3.14Å
221W98.9Very high97.8Very high4 Ų422.5 Ų22.52%0.01512%0.122CC..Hα-helixtrans-68.7-32.1176.2-60.3122.1000113.1V151 F154 H158 A218 L224 G225 L272 F281 G282 V288 I291V151-W221 HydrophobicContact CG1-CZ3 4.47Å; V151-W221 HydrophobicContact CG2-CZ3 4.28Å; F154-W221 HydrophobicContact CB-CH2 3.48Å; F154-W221 VanDerWaalsContact CB-CH2 3.48Å; F154-W221 HydrophobicContact CB-CZ2 3.95Å; F154-W221 HydrophobicContact CB-CZ3 3.84Å; F154-W221 AromaticContact CD2-CE3 3.99Å; F154-W221 HydrophobicContact CD2-CE3 3.99Å; F154-W221 HydrophobicContact CD2-CH2 4.35Å; F154-W221 AromaticContact CD2-CZ3 3.87Å; F154-W221 HydrophobicContact CD2-CZ3 3.87Å; F154-W221 HydrophobicContact CG-CH2 4.46Å; F154-W221 HydrophobicContact CG-CZ3 4.4Å; H158-W221 AromaticContact CE1-CE2 3.57Å; H158-W221 AromaticContact CE1-CZ2 3.82Å; H158-W221 AromaticContact CE1-NE1 3.39Å; H158-W221 PolarHBondContact CE1-NE1 3.07Å; H158-W221 AromaticContact ND1-CE2 3.57Å; H158-W221 AromaticContact ND1-CZ2 3.55Å; H158-W221 AromaticContact ND1-NE1 3.32Å; H158-W221 PolarHBondContact ND1-NE1 3.37Å; A218-W221 PolarHBondContact O-N 2.9Å; W221-L224 HydrophobicContact CE3-CD2 3.76Å; W221-L224 HydrophobicContact CZ3-CD2 3.92Å; W221-G225 PolarHBondContact O-N 2.8Å; W221-L272 HydrophobicContact CB-CD2 4.37Å; W221-F281 WeakPolarHBondContact CB-O 3.37Å; W221-G282 PolarHBondContact NE1-O 3.19Å; W221-V288 HydrophobicContact CH2-CB 4.23Å; W221-V288 HydrophobicContact CH2-CG2 3.54Å; W221-V288 HydrophobicContact CZ2-CB 4.15Å; W221-V288 HydrophobicContact CZ2-CG2 3.98Å; W221-V288 HydrophobicContact CZ3-CG2 4.33Å; W221-I291 HydrophobicContact CD2-CD1 3.73Å; W221-I291 HydrophobicContact CE3-CD1 3.29Å; W221-I291 HydrophobicContact CG-CD1 4.39Å; W221-I291 HydrophobicContact CH2-CD1 4.27Å; W221-I291 HydrophobicContact CZ3-CD1 3.6Å
222W98.8Very high97.9Very high0 Ų018.6 Ų18.60%010%0.102CC..Hα-helixtrans-62.8-49.5168.4173-84.3000110.8L205 A206 P207 A218 V219 D220 L224 G225 V226 F238 I250 L273 V275L205-W222 PolarHBondContact O-NE1 3Å; L205-W222 VanDerWaalsContact O-NE1 3.08Å; A206-W222 HydrophobicContact CB-CB 3.98Å; A206-W222 HydrophobicContact CB-CD2 4.4Å; A206-W222 HydrophobicContact CB-CG 3.85Å; P207-W222 HydrophobicContact CG-CE3 4.26Å; P207-W222 HydrophobicContact CG-CH2 3.62Å; P207-W222 HydrophobicContact CG-CZ2 4.02Å; P207-W222 HydrophobicContact CG-CZ3 3.74Å; A218-W222 PolarHBondContact O-N 2.89Å; V219-W222 WeakPolarHBondContact O-CB 3.37Å; V219-W222 PolarHBondContact O-N 3.38Å; D220-W222 PolarHBondContact O-N 3.41Å; W222-L224 VanDerWaalsContact C-N 3.26Å; W222-L224 PolarHBondContact O-N 2.79Å; W222-G225 WeakPolarHBondContact O-CA 3.21Å; W222-G225 PolarHBondContact O-N 3.38Å; W222-V226 PolarHBondContact O-N 2.99Å; W222-F238 AromaticContact CH2-CE2 3.96Å; W222-F238 HydrophobicContact CH2-CE2 3.96Å; W222-F238 AromaticContact CH2-CZ 3.92Å; W222-F238 HydrophobicContact CH2-CZ 3.92Å; W222-F238 HydrophobicContact CZ2-CD2 4.24Å; W222-F238 AromaticContact CZ2-CE2 3.37Å; W222-F238 HydrophobicContact CZ2-CE2 3.37Å; W222-F238 AromaticContact CZ2-CZ 3.81Å; W222-F238 HydrophobicContact CZ2-CZ 3.81Å; W222-I250 HydrophobicContact CH2-CG2 4.3Å; W222-I250 HydrophobicContact CZ2-CG2 3.71Å; W222-L273 HydrophobicContact CD2-CD2 4.07Å; W222-L273 HydrophobicContact CE3-CD2 4.33Å; W222-L273 HydrophobicContact CH2-CB 4.45Å; W222-L273 HydrophobicContact CZ2-CD2 4.28Å; W222-L273 HydrophobicContact CZ3-CB 4.23Å; W222-L273 WeakPolarHBondContact CZ3-O 3.36Å; W222-V275 HydrophobicContact CH2-CG2 4.34Å; W222-V275 HydrophobicContact CZ3-CG2 4.31Å
223A98.8Very high98.1Very high7 Ų714.6 Ų14.66%0.0587%0.074CC..Hα-helixtrans-60.5-35.8179.500000111.9L167 Y204 V219 D220 G225 V226 L227L167-A223 HydrophobicContact CB-CB 3.91Å; L167-A223 HydrophobicContact CD2-CB 4.2Å; Y204-A223 HydrophobicContact CD1-CB 4.19Å; V219-A223 PolarHBondContact O-N 3.37Å; D220-A223 PolarHBondContact O-N 3.07Å; A223-G225 VanDerWaalsContact C-N 3.32Å; A223-G225 PolarHBondContact O-N 3.45Å; A223-V226 PolarHBondContact O-N 3.2Å; A223-L227 WeakPolarHBondContact O-CB 3.4Å; A223-L227 PolarHBondContact O-N 2.87Å
224L98.9Very high98.2Very high0 Ų09.4 Ų9.40%06%0.055CC..Hα-helixtrans-58.8-42.6169.5175.166.1000111.6A147 V150 V151 F154 L167 D220 W221 W222 V226 L227 V228 L272A147-L224 HydrophobicContact CB-CD1 4.44Å; V150-L224 HydrophobicContact CB-CD1 4.04Å; V150-L224 HydrophobicContact CG1-CD1 3.86Å; V151-L224 HydrophobicContact CG2-CD2 3.52Å; F154-L224 HydrophobicContact CE2-CB 4.23Å; L167-L224 HydrophobicContact CD2-CB 4.4Å; D220-L224 PolarHBondContact O-N 3.14Å; W221-L224 HydrophobicContact CE3-CD2 3.76Å; W221-L224 HydrophobicContact CZ3-CD2 3.92Å; W222-L224 VanDerWaalsContact C-N 3.26Å; W222-L224 PolarHBondContact O-N 2.79Å; L224-V226 VanDerWaalsContact C-N 3.33Å; L224-V226 PolarHBondContact O-N 3.44Å; L224-L227 PolarHBondContact O-N 3.31Å; L224-V228 HydrophobicContact CD1-CG2 3.94Å; L224-V228 HydrophobicContact CG-CG2 4.3Å; L224-V228 WeakPolarHBondContact O-CB 3.35Å; L224-V228 VanDerWaalsContact O-CG2 3.27Å; L224-V228 WeakPolarHBondContact O-CG2 3.48Å; L224-V228 PolarHBondContact O-N 3.31Å; L224-L272 HydrophobicContact CD2-CD1 4.27Å; L224-L272 HydrophobicContact CG-CD1 4.27Å
225G98.9Very high98.4Very high0 Ų012.9 Ų12.90%06%0.063CC..Hα-helixtrans-59.8-42.6174.600000112.5W221 W222 A223 Y229 L269W221-G225 PolarHBondContact O-N 2.8Å; W222-G225 WeakPolarHBondContact O-CA 3.21Å; W222-G225 PolarHBondContact O-N 3.38Å; A223-G225 VanDerWaalsContact C-N 3.32Å; A223-G225 PolarHBondContact O-N 3.45Å; G225-Y229 WeakPolarHBondContact O-CB 3.37Å; G225-Y229 PolarHBondContact O-N 2.65Å; G225-Y229 VanDerWaalsContact O-N 3.07Å; G225-L269 WeakPolarHBondContact O-CD2 3.35Å
226V98.9Very high98.5Very high0 Ų013.3 Ų13.30%07%0.067CC..Hα-helixtrans-63.1-46.9175.8-178.80000110.2E203 Y204 W222 A223 L224 Y229 E230 P236 P237 L273E203-V226 WeakPolarHBondContact O-CG1 3.16Å; Y204-V226 HydrophobicContact CD1-CB 3.69Å; Y204-V226 HydrophobicContact CD1-CG1 3.58Å; Y204-V226 HydrophobicContact CD2-CG1 4.01Å; Y204-V226 HydrophobicContact CE1-CB 3.72Å; Y204-V226 HydrophobicContact CE1-CG1 3.49Å; Y204-V226 VanDerWaalsContact CE1-CG1 3.49Å; Y204-V226 HydrophobicContact CE2-CG1 3.88Å; Y204-V226 HydrophobicContact CG-CB 4.34Å; Y204-V226 HydrophobicContact CG-CG1 3.86Å; W222-V226 PolarHBondContact O-N 2.99Å; A223-V226 PolarHBondContact O-N 3.2Å; L224-V226 VanDerWaalsContact C-N 3.33Å; L224-V226 PolarHBondContact O-N 3.44Å; V226-Y229 PolarHBondContact O-N 3.18Å; V226-E230 WeakPolarHBondContact O-CB 3.19Å; V226-E230 PolarHBondContact O-N 2.86Å; V226-P236 HydrophobicContact CG1-CB 4.39Å; V226-P237 HydrophobicContact CB-CG 4.41Å; V226-P237 HydrophobicContact CG1-CG 4.13Å; V226-P237 HydrophobicContact CG2-CG 4.29Å; V226-L273 HydrophobicContact CG2-CD2 3.73Å
227L98.9Very high98.6Very high0 Ų012.2 Ų12.20%06%0.062CC..Hα-helixtrans-61.2-47.3179.4-175.568.9000112.1M128 V150 L167 P169 I172 Y204 A223 L224 Y229 E230 M231M128-L227 HydrophobicContact SD-CD1 4.41Å; V150-L227 HydrophobicContact CG2-CD2 4.02Å; L167-L227 HydrophobicContact CD1-CD2 4.28Å; L167-L227 HydrophobicContact CD2-CB 4.04Å; L167-L227 HydrophobicContact CD2-CD2 3.81Å; L167-L227 HydrophobicContact CG-CD2 4.12Å; P169-L227 HydrophobicContact CG-CD1 3.84Å; I172-L227 HydrophobicContact CD1-CD1 4.05Å; I172-L227 HydrophobicContact CD1-CD2 3.52Å; I172-L227 HydrophobicContact CD1-CG 4.45Å; Y204-L227 HydrophobicContact CE1-CB 4.01Å; Y204-L227 HydrophobicContact CE1-CD1 4.5Å; A223-L227 WeakPolarHBondContact O-CB 3.4Å; A223-L227 PolarHBondContact O-N 2.87Å; L224-L227 PolarHBondContact O-N 3.31Å; L227-Y229 VanDerWaalsContact C-N 3.33Å; L227-Y229 PolarHBondContact O-N 3.22Å; L227-E230 PolarHBondContact O-N 3.49Å; L227-M231 HydrophobicContact CD1-CG 4.44Å; L227-M231 HydrophobicContact CD2-CE 4.39Å; L227-M231 HydrophobicContact CG-CE 4.06Å; L227-M231 HydrophobicContact CG-CG 4.43Å; L227-M231 HydrophobicContact CG-SD 4.38Å; L227-M231 WeakPolarHBondContact O-CB 3.48Å; L227-M231 WeakPolarHBondContact O-CG 3.14Å; L227-M231 PolarHBondContact O-N 2.96Å
228V98.9Very high98.6Very high1 Ų18.4 Ų8.41%0.0065%0.045CC..Hα-helixtrans-63-41.4179.7171.30000111A147 L224 M231 A232 L265 L269 W296A147-V228 HydrophobicContact CB-CG2 3.65Å; L224-V228 HydrophobicContact CD1-CG2 3.94Å; L224-V228 HydrophobicContact CG-CG2 4.3Å; L224-V228 WeakPolarHBondContact O-CB 3.35Å; L224-V228 VanDerWaalsContact O-CG2 3.27Å; L224-V228 WeakPolarHBondContact O-CG2 3.48Å; L224-V228 PolarHBondContact O-N 3.31Å; V228-M231 HydrophobicContact CG2-CE 4.2Å; V228-A232 WeakPolarHBondContact O-CB 3.48Å; V228-A232 PolarHBondContact O-N 3.06Å; V228-L265 HydrophobicContact CG1-CD1 3.63Å; V228-L269 HydrophobicContact CB-CD2 4.01Å; V228-L269 HydrophobicContact CG1-CD2 3.93Å; V228-W296 HydrophobicContact CG1-CH2 3.9Å; V228-W296 HydrophobicContact CG1-CZ2 4.39Å; V228-W296 HydrophobicContact CG1-CZ3 4.29Å
229Y98.9Very high98.4Very high6 Ų613.4 Ų13.42%0.0247%0.067CC..Hα-helixtrans-60.1-50.7173.1-177.2-69.5000110.2G225 V226 L227 M231 A232 A233 Y235 P237 V255 R256 F257 F261 L269G225-Y229 WeakPolarHBondContact O-CB 3.37Å; G225-Y229 PolarHBondContact O-N 2.65Å; G225-Y229 VanDerWaalsContact O-N 3.07Å; V226-Y229 PolarHBondContact O-N 3.18Å; L227-Y229 VanDerWaalsContact C-N 3.33Å; L227-Y229 PolarHBondContact O-N 3.22Å; Y229-M231 PolarHBondContact O-N 3.48Å; Y229-A232 PolarHBondContact O-N 2.71Å; Y229-A233 HydrophobicContact CD1-CB 3.91Å; Y229-A233 HydrophobicContact CE1-CB 3.56Å; Y229-A233 VanDerWaalsContact O-CB 3.26Å; Y229-A233 WeakPolarHBondContact O-CB 3.31Å; Y229-A233 PolarHBondContact O-N 3.18Å; Y229-Y235 WeakPolarHBondContact CD1-O 3.32Å; Y229-Y235 HydrophobicContact CE1-CD2 4.05Å; Y229-Y235 AromaticContact CE1-CE2 3.86Å; Y229-Y235 HydrophobicContact CE1-CE2 3.86Å; Y229-Y235 WeakPolarHBondContact CE1-O 3.24Å; Y229-Y235 WeakPolarHBondContact OH-CE2 3.46Å; Y229-P237 HydrophobicContact CD1-CB 3.86Å; Y229-P237 VanDerWaalsContact CD1-CD 3.47Å; Y229-P237 HydrophobicContact CD1-CG 4.16Å; Y229-P237 HydrophobicContact CD2-CB 3.75Å; Y229-P237 HydrophobicContact CD2-CG 4.43Å; Y229-P237 HydrophobicContact CE1-CB 4.06Å; Y229-P237 HydrophobicContact CE2-CB 3.94Å; Y229-P237 HydrophobicContact CG-CB 3.74Å; Y229-P237 HydrophobicContact CG-CG 4Å; Y229-V255 HydrophobicContact CD2-CG1 4.16Å; Y229-V255 HydrophobicContact CE2-CG1 3.85Å; Y229-R256 WeakPolarHBondContact CE2-O 3.21Å; Y229-R256 PolarHBondContact OH-O 3.42Å; Y229-F257 HydrophobicContact CD2-CD1 4.16Å; Y229-F257 HydrophobicContact CD2-CE1 4.23Å; Y229-F257 AromaticContact CE2-CD1 3.94Å; Y229-F257 HydrophobicContact CE2-CD1 3.94Å; Y229-F257 HydrophobicContact CE2-CE1 4.33Å; Y229-F261 AromaticContact CD2-CE2 3.99Å; Y229-F261 HydrophobicContact CD2-CE2 3.99Å; Y229-F261 HydrophobicContact CE2-CE2 4.19Å; Y229-F261 HydrophobicContact CG-CE2 4.4Å; Y229-L269 HydrophobicContact CD2-CD1 4.05Å
230E98.8Very high98.3Very high7 Ų714.1 Ų14.13%0.0337%0.073CC..Hα-helixtrans-63.6-43.4-175.4-177.2162.8-160.200112.4L132 R133 Y204 V226 L227 A232 A233 G234 Y235L132-E230 HydrophobicContact CD2-CG 3.96Å; R133-E230 IonicContact CZ-OE1 3.71Å; R133-E230 IonicContact NH2-OE1 2.73Å; R133-E230 PolarHBondContact NH2-OE1 3.34Å; Y204-E230 WeakPolarHBondContact CE2-OE2 3.25Å; Y204-E230 PolarHBondContact OH-OE2 3.14Å; V226-E230 WeakPolarHBondContact O-CB 3.19Å; V226-E230 PolarHBondContact O-N 2.86Å; L227-E230 PolarHBondContact O-N 3.49Å; E230-A232 VanDerWaalsContact C-N 3.33Å; E230-A232 PolarHBondContact O-N 2.82Å; E230-A233 PolarHBondContact O-N 3.34Å; E230-G234 VanDerWaalsContact O-CA 3.29Å; E230-G234 WeakPolarHBondContact O-CA 3.33Å; E230-G234 PolarHBondContact O-N 3.39Å; E230-Y235 WeakPolarHBondContact CA-O 2.86Å
231M98.8Very high98.1Very high0 Ų021.1 Ų21.10%011%0.111CC..Hα-helixtrans-58.1-45.4174.8-72.3-171.6-63.400111.7M128 F138 S143 Y146 A147 L227 V228 Y229M128-M231 HydrophobicContact CE-SD 4.18Å; M128-M231 HydrophobicContact SD-CG 4.17Å; M128-M231 HydrophobicContact SD-SD 3.75Å; F138-M231 HydrophobicContact CD2-CB 3.96Å; F138-M231 HydrophobicContact CD2-CG 3.99Å; F138-M231 HydrophobicContact CD2-SD 4.2Å; F138-M231 HydrophobicContact CE2-CG 4.31Å; F138-M231 HydrophobicContact CE2-SD 4.47Å; F138-M231 PolarHBondContact N-O 2.79Å; S143-M231 WeakPolarHBondContact O-CE 3.48Å; S143-M231 WeakPolarHBondContact OG-CB 3.49Å; Y146-M231 HydrophobicContact CD2-SD 4.05Å; A147-M231 HydrophobicContact CB-CE 4.26Å; L227-M231 HydrophobicContact CD1-CG 4.44Å; L227-M231 HydrophobicContact CD2-CE 4.39Å; L227-M231 HydrophobicContact CG-CE 4.06Å; L227-M231 HydrophobicContact CG-CG 4.43Å; L227-M231 HydrophobicContact CG-SD 4.38Å; L227-M231 WeakPolarHBondContact O-CB 3.48Å; L227-M231 WeakPolarHBondContact O-CG 3.14Å; L227-M231 PolarHBondContact O-N 2.96Å; V228-M231 HydrophobicContact CG2-CE 4.2Å; Y229-M231 PolarHBondContact O-N 3.48Å
232A98.7Very high98Very high3 Ų326.4 Ų26.43%0.02514%0.135CC..Hα-helixtrans-78.6-28.7-176.400000113.7R137 V228 Y229 E230 F261 L265R137-A232 WeakPolarHBondContact CD-O 3.24Å; V228-A232 WeakPolarHBondContact O-CB 3.48Å; V228-A232 PolarHBondContact O-N 3.06Å; Y229-A232 PolarHBondContact O-N 2.71Å; E230-A232 VanDerWaalsContact C-N 3.33Å; E230-A232 PolarHBondContact O-N 2.82Å; A232-F261 HydrophobicContact CB-CE1 3.62Å; A232-F261 HydrophobicContact CB-CE2 4.42Å; A232-F261 HydrophobicContact CB-CZ 3.55Å; A232-L265 HydrophobicContact CB-CD2 3.89Å
233A98.5Very high97.8Very high9 Ų929.1 Ų29.17%0.07415%0.153CC..Hα-helixtrans-95.9-29.4-178.200000113.7Y229 E230 Y235 P258 F261Y229-A233 HydrophobicContact CD1-CB 3.91Å; Y229-A233 HydrophobicContact CE1-CB 3.56Å; Y229-A233 VanDerWaalsContact O-CB 3.26Å; Y229-A233 WeakPolarHBondContact O-CB 3.31Å; Y229-A233 PolarHBondContact O-N 3.18Å; E230-A233 PolarHBondContact O-N 3.34Å; A233-Y235 HydrophobicContact CB-CD1 4.03Å; A233-Y235 HydrophobicContact CB-CE1 3.84Å; A233-Y235 HydrophobicContact CB-CE2 4.42Å; A233-Y235 HydrophobicContact CB-CG 4.4Å; A233-Y235 WeakPolarHBondContact O-CD1 3.48Å; A233-Y235 WeakPolarHBondContact O-CE1 3.38Å; A233-P258 HydrophobicContact CB-CG 4.17Å; A233-F261 HydrophobicContact CB-CE1 4.13Å; A233-F261 HydrophobicContact CB-CZ 3.77Å
234G98.1Very high97.6Very high11 Ų1133.7 Ų33.711%0.11318%0.175CC..SBendtrans880.5-16900000114.9R133 G136 E230R133-G234 PolarHBondContact NH1-O 3.01Å; G136-G234 WeakPolarHBondContact O-CA 3.49Å; E230-G234 VanDerWaalsContact O-CA 3.29Å; E230-G234 WeakPolarHBondContact O-CA 3.33Å; E230-G234 PolarHBondContact O-N 3.39Å
235Y97.8Very high97.6Very high90 Ų9037.3 Ų37.335%0.35319%0.193SC..SBendtrans-152.9151.9-179.957.9-89.5000109.8Y229 E230 A233 F239Y229-Y235 WeakPolarHBondContact CD1-O 3.32Å; Y229-Y235 HydrophobicContact CE1-CD2 4.05Å; Y229-Y235 AromaticContact CE1-CE2 3.86Å; Y229-Y235 HydrophobicContact CE1-CE2 3.86Å; Y229-Y235 WeakPolarHBondContact CE1-O 3.24Å; Y229-Y235 WeakPolarHBondContact OH-CE2 3.46Å; E230-Y235 WeakPolarHBondContact CA-O 2.86Å; A233-Y235 HydrophobicContact CB-CD1 4.03Å; A233-Y235 HydrophobicContact CB-CE1 3.84Å; A233-Y235 HydrophobicContact CB-CE2 4.42Å; A233-Y235 HydrophobicContact CB-CG 4.4Å; A233-Y235 WeakPolarHBondContact O-CD1 3.48Å; A233-Y235 WeakPolarHBondContact O-CE1 3.38Å; Y235-F239 HydrophobicContact CD2-CD1 4.19Å; Y235-F239 AromaticContact CD2-CE1 3.74Å; Y235-F239 HydrophobicContact CD2-CE1 3.74Å; Y235-F239 HydrophobicContact CE2-CE1 4.08Å
236P98.1Very high97.5Very high13 Ų1337.5 Ų37.58%0.08419%0.194CC..  trans-72.3157.1-177.528.2-31000111.8E203 V226 F238 F239E203-P236 HydrophobicContact CB-CB 4.33Å; E203-P236 HydrophobicContact CB-CG 4.38Å; E203-P236 HydrophobicContact CG-CG 4.11Å; V226-P236 HydrophobicContact CG1-CB 4.39Å; P236-F238 VanDerWaalsContact C-N 3.25Å; P236-F238 PolarHBondContact O-N 3.44Å; P236-F239 HydrophobicContact CG-CB 4.16Å; P236-F239 WeakPolarHBondContact O-CD1 3.12Å
237P98.4Very high97.5Very high17 Ų1740.4 Ų40.411%0.1121%0.205CC..SBendtrans-66-27.9-178.524.1-31.9000113.3V226 Y229 V255 L273V226-P237 HydrophobicContact CB-CG 4.41Å; V226-P237 HydrophobicContact CG1-CG 4.13Å; V226-P237 HydrophobicContact CG2-CG 4.29Å; Y229-P237 HydrophobicContact CD1-CB 3.86Å; Y229-P237 VanDerWaalsContact CD1-CD 3.47Å; Y229-P237 HydrophobicContact CD1-CG 4.16Å; Y229-P237 HydrophobicContact CD2-CB 3.75Å; Y229-P237 HydrophobicContact CD2-CG 4.43Å; Y229-P237 HydrophobicContact CE1-CB 4.06Å; Y229-P237 HydrophobicContact CE2-CB 3.94Å; Y229-P237 HydrophobicContact CG-CB 3.74Å; Y229-P237 HydrophobicContact CG-CG 4Å; P237-V255 HydrophobicContact CB-CG1 4.05Å; P237-L273 HydrophobicContact CB-CD1 4.22Å; P237-L273 HydrophobicContact CG-CD1 4.08Å
238F97.9Very high97.4Very high2 Ų246.4 Ų46.41%0.00923%0.233CC..SBendtrans-124.7103.9179.1-43.8-76.4000108.4W222 P236 I246 R249 I250 V255 L273W222-F238 AromaticContact CH2-CE2 3.96Å; W222-F238 HydrophobicContact CH2-CE2 3.96Å; W222-F238 AromaticContact CH2-CZ 3.92Å; W222-F238 HydrophobicContact CH2-CZ 3.92Å; W222-F238 HydrophobicContact CZ2-CD2 4.24Å; W222-F238 AromaticContact CZ2-CE2 3.37Å; W222-F238 HydrophobicContact CZ2-CE2 3.37Å; W222-F238 AromaticContact CZ2-CZ 3.81Å; W222-F238 HydrophobicContact CZ2-CZ 3.81Å; P236-F238 VanDerWaalsContact C-N 3.25Å; P236-F238 PolarHBondContact O-N 3.44Å; F238-I246 HydrophobicContact CB-CG2 4.34Å; F238-R249 HydrophobicContact CB-CB 4.39Å; F238-R249 HydrophobicContact CD1-CB 4.06Å; F238-I250 HydrophobicContact CB-CD1 4.42Å; F238-I250 HydrophobicContact CB-CG1 3.71Å; F238-I250 HydrophobicContact CD1-CG1 4.23Å; F238-I250 HydrophobicContact CD2-CG1 3.58Å; F238-I250 HydrophobicContact CE2-CG1 4.22Å; F238-I250 HydrophobicContact CG-CG1 3.57Å; F238-V255 HydrophobicContact CE1-CG2 3.62Å; F238-V255 HydrophobicContact CE2-CG2 4.32Å; F238-V255 HydrophobicContact CZ-CG2 3.36Å; F238-L273 HydrophobicContact CE2-CD2 4.38Å
239F94.5Very high97.4Very high105 Ų10552 Ų5246%0.46125%0.254SS..  trans-133149.4174.263.3-81.2000109.4Y235 P236 R249Y235-F239 HydrophobicContact CD2-CD1 4.19Å; Y235-F239 AromaticContact CD2-CE1 3.74Å; Y235-F239 HydrophobicContact CD2-CE1 3.74Å; Y235-F239 HydrophobicContact CE2-CE1 4.08Å; P236-F239 HydrophobicContact CG-CB 4.16Å; P236-F239 WeakPolarHBondContact O-CD1 3.12Å; F239-R249 VanDerWaalsContact O-CZ 3.26Å; F239-R249 PolarHBondContact O-NH1 2.93Å
240A95.9Very high97.3Very high20 Ų2051.7 Ų51.717%0.16525%0.253CS..  trans-165.4168.6173.800000108.4Q242 Q245 I246A240-Q242 VanDerWaalsContact C-N 3.3Å; A240-Q242 PolarHBondContact O-N 2.89Å; A240-Q245 HydrophobicContact CB-CB 3.51Å; A240-I246 HydrophobicContact CB-CG1 3.81Å
241D94.8Very high97.3Very high149 Ų14953.7 Ų53.780%0.79727%0.265SS*.SBendtrans-72.3-25.6-175.9-57.9-31.7000113
242Q95.8Very high97.2Very high114 Ų11456.7 Ų56.753%0.53329%0.286SS..SBendtrans-122.8136.8-177.5-65.2-62.1-41.700110.7A240 I244 Q245 I246A240-Q242 VanDerWaalsContact C-N 3.3Å; A240-Q242 PolarHBondContact O-N 2.89Å; Q242-I244 HydrophobicContact CB-CG2 4.19Å; Q242-I244 PolarHBondContact O-N 2.96Å; Q242-I244 VanDerWaalsContact O-N 3.09Å; Q242-Q245 HydrophobicContact CB-CG 4.35Å; Q242-Q245 WeakPolarHBondContact O-CB 3.46Å; Q242-Q245 PolarHBondContact O-N 2.86Å; Q242-I246 PolarHBondContact O-N 3.41Å
243P95.1Very high96.9Very high57 Ų5757.8 Ų57.837%0.3730%0.298SS..Hα-helixtrans-52.6-36.7-179.2-29.635.3000114.1Q245 I246 Y247P243-Q245 VanDerWaalsContact C-N 3.29Å; P243-Q245 PolarHBondContact O-N 3.46Å; P243-I246 WeakPolarHBondContact O-CB 3.16Å; P243-I246 PolarHBondContact O-N 3.36Å; P243-I246 VanDerWaalsContact O-N 3.13Å; P243-Y247 HydrophobicContact CB-CE1 4.5Å; P243-Y247 HydrophobicContact CB-CE2 4.1Å; P243-Y247 WeakPolarHBondContact O-CD1 3.44Å; P243-Y247 WeakPolarHBondContact O-CD2 3.44Å; P243-Y247 PolarHBondContact O-N 2.64Å
244I96.1Very high96.8Very high103 Ų10365.7 Ų65.753%0.52833%0.331SS..Hα-helixtrans-60.5-38.1178.8-167.761.9000112.6Q242 Y247 E248Q242-I244 HydrophobicContact CB-CG2 4.19Å; Q242-I244 PolarHBondContact O-N 2.96Å; Q242-I244 VanDerWaalsContact O-N 3.09Å; I244-Y247 HydrophobicContact CD1-CD2 4.44Å; I244-Y247 PolarHBondContact O-N 3.07Å; I244-E248 WeakPolarHBondContact O-CG 3.44Å; I244-E248 PolarHBondContact O-N 2.96Å
245Q97.6Very high96.7Very high77 Ų7766.5 Ų66.536%0.3633%0.333SS..Hα-helixtrans-72.4-33.6178.3-62.7175.23.600111.3A240 Q242 P243 Y247 R249A240-Q245 HydrophobicContact CB-CB 3.51Å; Q242-Q245 HydrophobicContact CB-CG 4.35Å; Q242-Q245 WeakPolarHBondContact O-CB 3.46Å; Q242-Q245 PolarHBondContact O-N 2.86Å; P243-Q245 VanDerWaalsContact C-N 3.29Å; P243-Q245 PolarHBondContact O-N 3.46Å; Q245-Y247 VanDerWaalsContact C-N 3.33Å; Q245-R249 VanDerWaalsContact O-CG 3.3Å; Q245-R249 WeakPolarHBondContact O-CG 3.29Å; Q245-R249 PolarHBondContact O-N 3.12Å; Q245-R249 VanDerWaalsContact O-N 3.17Å
246I97.7Very high96.7Very high4 Ų472.9 Ų72.92%0.02136%0.357CS..Hα-helixtrans-61.5-46.9172.1-58.1177.9000109.1P202 E203 F238 A240 Q242 P243 E248 R249 I250P202-I246 HydrophobicContact CB-CD1 4.39Å; E203-I246 HydrophobicContact CG-CD1 4.19Å; F238-I246 HydrophobicContact CB-CG2 4.34Å; A240-I246 HydrophobicContact CB-CG1 3.81Å; Q242-I246 PolarHBondContact O-N 3.41Å; P243-I246 WeakPolarHBondContact O-CB 3.16Å; P243-I246 PolarHBondContact O-N 3.36Å; P243-I246 VanDerWaalsContact O-N 3.13Å; I246-E248 PolarHBondContact O-N 3.1Å; I246-R249 WeakPolarHBondContact O-CB 3.46Å; I246-R249 PolarHBondContact O-N 2.94Å; I246-I250 HydrophobicContact CG2-CD1 3.76Å; I246-I250 HydrophobicContact CG2-CG1 4.41Å; I246-I250 WeakPolarHBondContact O-CG1 3.19Å; I246-I250 PolarHBondContact O-N 3.39Å
247Y97.7Very high96.7Very high61 Ų6174.4 Ų74.424%0.23936%0.362CS..Hα-helixtrans-61.8-43.8-179.8-58.5-20.2000112.7P202 L205 I210 P243 I244 Q245 R249 I250 V251P202-Y247 HydrophobicContact CB-CE1 3.86Å; L205-Y247 HydrophobicContact CD1-CE1 3.85Å; I210-Y247 HydrophobicContact CD1-CD1 3.84Å; I210-Y247 HydrophobicContact CD1-CG 4.25Å; I210-Y247 HydrophobicContact CG1-CD1 4.06Å; I210-Y247 HydrophobicContact CG1-CG 4.33Å; I210-Y247 HydrophobicContact CG2-CG 4.19Å; P243-Y247 HydrophobicContact CB-CE1 4.5Å; P243-Y247 HydrophobicContact CB-CE2 4.1Å; P243-Y247 WeakPolarHBondContact O-CD1 3.44Å; P243-Y247 WeakPolarHBondContact O-CD2 3.44Å; P243-Y247 PolarHBondContact O-N 2.64Å; I244-Y247 HydrophobicContact CD1-CD2 4.44Å; I244-Y247 PolarHBondContact O-N 3.07Å; Q245-Y247 VanDerWaalsContact C-N 3.33Å; Y247-R249 VanDerWaalsContact C-N 3.31Å; Y247-R249 PolarHBondContact O-N 3.33Å; Y247-I250 PolarHBondContact O-N 3.42Å; Y247-V251 WeakPolarHBondContact O-CG2 3.43Å; Y247-V251 PolarHBondContact O-N 3.14Å
248E97.7Very high96.7Very high126 Ų12674.2 Ų74.259%0.58936%0.361SS*.Hα-helixtrans-57.9-42.9174.5-73172.3174.300111.9I244 I246 S252I244-E248 WeakPolarHBondContact O-CG 3.44Å; I244-E248 PolarHBondContact O-N 2.96Å; I246-E248 PolarHBondContact O-N 3.1Å; E248-S252 WeakPolarHBondContact O-CB 3.48Å; E248-S252 PolarHBondContact O-N 3.16Å; E248-S252 VanDerWaalsContact O-N 3.08Å
249R98Very high96.7Very high118 Ų11879.6 Ų79.645%0.44540%0.399SS..Hα-helixtrans-65.2-45.6177.4-70174.6-173.3-152.70.4111.7F238 F239 Q245 I246 Y247 S252 G253F238-R249 HydrophobicContact CB-CB 4.39Å; F238-R249 HydrophobicContact CD1-CB 4.06Å; F239-R249 VanDerWaalsContact O-CZ 3.26Å; F239-R249 PolarHBondContact O-NH1 2.93Å; Q245-R249 VanDerWaalsContact O-CG 3.3Å; Q245-R249 WeakPolarHBondContact O-CG 3.29Å; Q245-R249 PolarHBondContact O-N 3.12Å; Q245-R249 VanDerWaalsContact O-N 3.17Å; I246-R249 WeakPolarHBondContact O-CB 3.46Å; I246-R249 PolarHBondContact O-N 2.94Å; Y247-R249 VanDerWaalsContact C-N 3.31Å; Y247-R249 PolarHBondContact O-N 3.33Å; R249-S252 PolarHBondContact O-N 2.99Å; R249-S252 PolarHBondContact O-OG 3.16Å; R249-G253 PolarHBondContact O-N 3.07Å
250I98.2Very high96.9Very high0 Ų078.5 Ų78.50%040%0.395CS..Hα-helixtrans-57.8-51.7177.9-73.5167.2000110.7P202 P207 I210 W222 F238 I246 Y247 S252 G253P202-I250 WeakPolarHBondContact O-CD1 3.16Å; P207-I250 HydrophobicContact CB-CG2 4.29Å; P207-I250 HydrophobicContact CG-CG2 3.72Å; I210-I250 HydrophobicContact CD1-CB 3.83Å; I210-I250 HydrophobicContact CD1-CD1 3.84Å; I210-I250 HydrophobicContact CD1-CG1 4.44Å; I210-I250 HydrophobicContact CD1-CG2 3.47Å; I210-I250 VanDerWaalsContact CD1-CG2 3.47Å; W222-I250 HydrophobicContact CH2-CG2 4.3Å; W222-I250 HydrophobicContact CZ2-CG2 3.71Å; F238-I250 HydrophobicContact CB-CD1 4.42Å; F238-I250 HydrophobicContact CB-CG1 3.71Å; F238-I250 HydrophobicContact CD1-CG1 4.23Å; F238-I250 HydrophobicContact CD2-CG1 3.58Å; F238-I250 HydrophobicContact CE2-CG1 4.22Å; F238-I250 HydrophobicContact CG-CG1 3.57Å; I246-I250 HydrophobicContact CG2-CD1 3.76Å; I246-I250 HydrophobicContact CG2-CG1 4.41Å; I246-I250 WeakPolarHBondContact O-CG1 3.19Å; I246-I250 PolarHBondContact O-N 3.39Å; Y247-I250 PolarHBondContact O-N 3.42Å; I250-S252 VanDerWaalsContact C-N 3.25Å; I250-S252 PolarHBondContact O-N 3.34Å; I250-G253 PolarHBondContact O-N 2.97Å
251V97.6Very high97Very high49 Ų4977.8 Ų77.830%0.29739%0.388SS..Hα-helixtrans-65.8-30-177.6176.10000111.7I210 L211 Y247 G253I210-V251 HydrophobicContact CB-CG2 4.36Å; I210-V251 HydrophobicContact CG2-CG2 3.91Å; L211-V251 HydrophobicContact CD1-CG1 4.3Å; L211-V251 HydrophobicContact CD2-CG1 4.23Å; L211-V251 HydrophobicContact CD2-CG2 4.27Å; L211-V251 HydrophobicContact CG-CG2 4.21Å; Y247-V251 WeakPolarHBondContact O-CG2 3.43Å; Y247-V251 PolarHBondContact O-N 3.14Å; V251-G253 PolarHBondContact O-N 2.97Å
252S96.9Very high97.2Very high62 Ų6272.7 Ų72.743%0.43436%0.364SS..Hα-helixtrans-65.9-24.2174.684.10000113.8E248 R249 I250 K254E248-S252 WeakPolarHBondContact O-CB 3.48Å; E248-S252 PolarHBondContact O-N 3.16Å; E248-S252 VanDerWaalsContact O-N 3.08Å; R249-S252 PolarHBondContact O-N 2.99Å; R249-S252 PolarHBondContact O-OG 3.16Å; I250-S252 VanDerWaalsContact C-N 3.25Å; I250-S252 PolarHBondContact O-N 3.34Å; S252-K254 PolarHBondContact O-N 2.89Å; S252-K254 VanDerWaalsContact O-N 3.15Å; S252-K254 PolarHBondContact OG-N 2.86Å
253G93.4Very high97.3Very high27 Ų2771.5 Ų71.528%0.27837%0.369SS..THydrogen-bonded Turntrans66.27.2-176.800000115.4R249 I250 V251 V255R249-G253 PolarHBondContact O-N 3.07Å; I250-G253 PolarHBondContact O-N 2.97Å; V251-G253 PolarHBondContact O-N 2.97Å; G253-V255 PolarHBondContact O-N 3.39Å; G253-V255 VanDerWaalsContact O-N 3.14Å
254K95Very high97.5Very high175 Ų17571.6 Ų71.676%0.76137%0.366SS*.  trans-83.790.8-176.1-66.7-179.8-177.1175.20110.9S252S252-K254 PolarHBondContact O-N 2.89Å; S252-K254 VanDerWaalsContact O-N 3.15Å; S252-K254 PolarHBondContact OG-N 2.86Å
255V96.8Very high97.6Very high28 Ų2866.7 Ų66.717%0.1734%0.34CS..  trans-92.5130.8174.6-175.10000110.5Y229 P237 F238 G253 F257 L273Y229-V255 HydrophobicContact CD2-CG1 4.16Å; Y229-V255 HydrophobicContact CE2-CG1 3.85Å; P237-V255 HydrophobicContact CB-CG1 4.05Å; F238-V255 HydrophobicContact CE1-CG2 3.62Å; F238-V255 HydrophobicContact CE2-CG2 4.32Å; F238-V255 HydrophobicContact CZ-CG2 3.36Å; G253-V255 PolarHBondContact O-N 3.39Å; G253-V255 VanDerWaalsContact O-N 3.14Å; V255-F257 HydrophobicContact CB-CE1 4.45Å; V255-F257 HydrophobicContact CB-CZ 4.12Å; V255-F257 HydrophobicContact CG1-CD1 4.11Å; V255-F257 HydrophobicContact CG1-CE1 3.6Å; V255-F257 HydrophobicContact CG1-CE2 4.39Å; V255-F257 HydrophobicContact CG1-CZ 3.77Å; V255-L273 HydrophobicContact CG1-CD1 4.32Å; V255-L273 HydrophobicContact CG2-CB 4.35Å; V255-L273 HydrophobicContact CG2-CD1 3.97Å
256R97Very high97.7Very high223 Ų22365.1 Ų65.184%0.84233%0.332SS*.  trans-100.1136.7168.2-66.8-175.7-179.4-169.60.6108.8Y229Y229-R256 WeakPolarHBondContact CE2-O 3.21Å; Y229-R256 PolarHBondContact OH-O 3.42Å
257F98.4Very high97.8Very high46 Ų4668.3 Ų68.320%0.20235%0.35CS..  trans-106.8139.4-179.7-59.7-72.9000110.9Y229 V255 F261 K266 L269 R270Y229-F257 HydrophobicContact CD2-CD1 4.16Å; Y229-F257 HydrophobicContact CD2-CE1 4.23Å; Y229-F257 AromaticContact CE2-CD1 3.94Å; Y229-F257 HydrophobicContact CE2-CD1 3.94Å; Y229-F257 HydrophobicContact CE2-CE1 4.33Å; V255-F257 HydrophobicContact CB-CE1 4.45Å; V255-F257 HydrophobicContact CB-CZ 4.12Å; V255-F257 HydrophobicContact CG1-CD1 4.11Å; V255-F257 HydrophobicContact CG1-CE1 3.6Å; V255-F257 HydrophobicContact CG1-CE2 4.39Å; V255-F257 HydrophobicContact CG1-CZ 3.77Å; F257-F261 HydrophobicContact CB-CD2 4.35Å; F257-F261 HydrophobicContact CD1-CD2 4.05Å; F257-F261 HydrophobicContact CD1-CE2 4.33Å; F257-K266 HydrophobicContact CB-CD 4.17Å; F257-K266 HydrophobicContact CB-CG 3.91Å; F257-K266 HydrophobicContact CD1-CG 4.28Å; F257-K266 HydrophobicContact CD2-CB 4.46Å; F257-K266 HydrophobicContact CD2-CG 4.15Å; F257-K266 HydrophobicContact CG-CD 4.48Å; F257-K266 HydrophobicContact CG-CG 3.84Å; F257-L269 HydrophobicContact CD1-CD1 4.16Å; F257-L269 HydrophobicContact CE1-CB 3.68Å; F257-L269 HydrophobicContact CE1-CD1 3.84Å; F257-L269 HydrophobicContact CE1-CG 4.44Å; F257-L269 HydrophobicContact CZ-CB 4.14Å; F257-R270 HydrophobicContact CE2-CG 3.98Å; F257-R270 HydrophobicContact CZ-CG 3.98Å
258P98.5Very high97.8Very high13 Ų1365.4 Ų65.48%0.08434%0.338CS..  trans-57.3150.1169.8-23.233.2000112.5A233 H260 F261 K266A233-P258 HydrophobicContact CB-CG 4.17Å; P258-H260 VanDerWaalsContact C-N 3.25Å; P258-H260 WeakPolarHBondContact CB-CE1 3.26Å; P258-H260 WeakPolarHBondContact CB-ND1 2.98Å; P258-H260 PolarHBondContact O-N 3.04Å; P258-F261 HydrophobicContact CB-CD1 4.05Å; P258-F261 HydrophobicContact CB-CE1 4.25Å; P258-F261 HydrophobicContact CG-CD1 4.04Å; P258-F261 HydrophobicContact CG-CE1 3.8Å; P258-F261 HydrophobicContact CG-CE2 4.5Å; P258-F261 HydrophobicContact CG-CG 4.5Å; P258-F261 HydrophobicContact CG-CZ 4.07Å; P258-F261 PolarHBondContact O-N 3.18Å; P258-K266 WeakPolarHBondContact O-CE 3.44Å; P258-K266 PolarHBondContact O-NZ 2.75Å
259S97.8Very high97.9Very high114 Ų11459.4 Ų59.480%0.79731%0.31SS*.THydrogen-bonded Turntrans-60.2-37-179.653.30000112.5F261 K266S259-F261 VanDerWaalsContact C-N 3.26Å; S259-F261 PolarHBondContact O-N 2.84Å; S259-K266 PolarHBondContact O-NZ 3.14Å
260H98.3Very high97.9Very high83 Ų8359.7 Ų59.738%0.38431%0.311SS..THydrogen-bonded Turntrans-72.9-9.1-178.162.3-93000114.8R137 P258R137-H260 PolarHBondContact NH1-CD2 3.19Å; R137-H260 PolarHBondContact NH1-CE1 3.01Å; R137-H260 PolarHBondContact NH1-ND1 3.34Å; R137-H260 PolarHBondContact NH1-NE2 2.72Å; P258-H260 VanDerWaalsContact C-N 3.25Å; P258-H260 WeakPolarHBondContact CB-CE1 3.26Å; P258-H260 WeakPolarHBondContact CB-ND1 2.98Å; P258-H260 PolarHBondContact O-N 3.04Å
261F98.7Very high97.9Very high5 Ų561.6 Ų61.62%0.02232%0.321CS..SBendtrans-69.9133.3173.7-82.822.8000110.3Y229 A232 A233 F257 P258 S259 L265 K266 L269Y229-F261 AromaticContact CD2-CE2 3.99Å; Y229-F261 HydrophobicContact CD2-CE2 3.99Å; Y229-F261 HydrophobicContact CE2-CE2 4.19Å; Y229-F261 HydrophobicContact CG-CE2 4.4Å; A232-F261 HydrophobicContact CB-CE1 3.62Å; A232-F261 HydrophobicContact CB-CE2 4.42Å; A232-F261 HydrophobicContact CB-CZ 3.55Å; A233-F261 HydrophobicContact CB-CE1 4.13Å; A233-F261 HydrophobicContact CB-CZ 3.77Å; F257-F261 HydrophobicContact CB-CD2 4.35Å; F257-F261 HydrophobicContact CD1-CD2 4.05Å; F257-F261 HydrophobicContact CD1-CE2 4.33Å; P258-F261 HydrophobicContact CB-CD1 4.05Å; P258-F261 HydrophobicContact CB-CE1 4.25Å; P258-F261 HydrophobicContact CG-CD1 4.04Å; P258-F261 HydrophobicContact CG-CE1 3.8Å; P258-F261 HydrophobicContact CG-CE2 4.5Å; P258-F261 HydrophobicContact CG-CG 4.5Å; P258-F261 HydrophobicContact CG-CZ 4.07Å; P258-F261 PolarHBondContact O-N 3.18Å; S259-F261 VanDerWaalsContact C-N 3.26Å; S259-F261 PolarHBondContact O-N 2.84Å; F261-L265 HydrophobicContact CB-CD2 4.12Å; F261-L265 HydrophobicContact CD1-CD2 3.93Å; F261-L265 HydrophobicContact CD2-CD2 3.56Å; F261-L265 HydrophobicContact CD2-CG 3.88Å; F261-L265 HydrophobicContact CE1-CD2 4.2Å; F261-L265 HydrophobicContact CE2-CD2 3.85Å; F261-L265 HydrophobicContact CE2-CG 4.3Å; F261-L265 HydrophobicContact CG-CD2 3.59Å; F261-L265 HydrophobicContact CG-CG 4.26Å; F261-L265 HydrophobicContact CZ-CD2 4.15Å; F261-K266 HydrophobicContact CB-CD 4.35Å; F261-K266 HydrophobicContact CB-CG 3.95Å; F261-K266 WeakPolarHBondContact O-CE 3.17Å; F261-K266 PolarHBondContact O-NZ 3.2Å; F261-L269 HydrophobicContact CD2-CD1 4Å; F261-L269 HydrophobicContact CE2-CD1 3.67Å
262S98.8Very high98Very high41 Ų4159.2 Ų59.229%0.28731%0.307SS..  trans-60.9158.7174.270.70000112.1E140 D264 L265 K266E140-S262 VanDerWaalsContact OE1-CB 3.27Å; E140-S262 WeakPolarHBondContact OE1-CB 3.27Å; E140-S262 PolarHBondContact OE1-N 3.13Å; E140-S262 PolarHBondContact OE1-OG 3.12Å; E140-S262 WeakPolarHBondContact OE2-CB 3.46Å; E140-S262 PolarHBondContact OE2-OG 3.43Å; S262-D264 VanDerWaalsContact C-N 3.25Å; S262-D264 PolarHBondContact O-N 2.88Å; S262-L265 PolarHBondContact O-N 3.32Å; S262-L265 VanDerWaalsContact OG-CB 3.27Å; S262-L265 WeakPolarHBondContact OG-CB 3.27Å; S262-L265 PolarHBondContact OG-N 2.86Å; S262-K266 WeakPolarHBondContact O-CG 3.33Å; S262-K266 PolarHBondContact O-N 3.3Å; S262-K266 VanDerWaalsContact O-N 3.07Å
263S98.7Very high98.1Very high90 Ų9056.7 Ų56.763%0.62929%0.289SS*.Hα-helixtrans-58.3-41.6173.949.50000111.5K266 D267S263-K266 PolarHBondContact O-N 3.08Å; S263-D267 WeakPolarHBondContact O-CB 3.48Å; S263-D267 PolarHBondContact O-N 3.22Å
264D98.8Very high98.3Very high58 Ų5858.4 Ų58.431%0.3129%0.289SS..Hα-helixtrans-69.9-38.9-177.7-63.1-15.7000111.2S262 D267 L268 H294 K295 W296S262-D264 VanDerWaalsContact C-N 3.25Å; S262-D264 PolarHBondContact O-N 2.88Å; D264-D267 PolarHBondContact O-N 2.82Å; D264-L268 PolarHBondContact O-N 3.46Å; D264-H294 PolarHBondContact O-CE1 3.41Å; D264-K295 HydrophobicContact CB-CB 4.36Å; D264-W296 HydrophobicContact CB-CB 4.07Å
265L98.9Very high98.5Very high0 Ų052.2 Ų52.20%027%0.266CS..Hα-helixtrans-63-47.1174.1177.455.4000111.2E140 V228 A232 F261 S262 D267 L268 L269 W296E140-L265 HydrophobicContact CG-CD2 3.88Å; V228-L265 HydrophobicContact CG1-CD1 3.63Å; A232-L265 HydrophobicContact CB-CD2 3.89Å; F261-L265 HydrophobicContact CB-CD2 4.12Å; F261-L265 HydrophobicContact CD1-CD2 3.93Å; F261-L265 HydrophobicContact CD2-CD2 3.56Å; F261-L265 HydrophobicContact CD2-CG 3.88Å; F261-L265 HydrophobicContact CE1-CD2 4.2Å; F261-L265 HydrophobicContact CE2-CD2 3.85Å; F261-L265 HydrophobicContact CE2-CG 4.3Å; F261-L265 HydrophobicContact CG-CD2 3.59Å; F261-L265 HydrophobicContact CG-CG 4.26Å; F261-L265 HydrophobicContact CZ-CD2 4.15Å; S262-L265 PolarHBondContact O-N 3.32Å; S262-L265 VanDerWaalsContact OG-CB 3.27Å; S262-L265 WeakPolarHBondContact OG-CB 3.27Å; S262-L265 PolarHBondContact OG-N 2.86Å; L265-D267 VanDerWaalsContact C-N 3.26Å; L265-D267 PolarHBondContact O-N 3.29Å; L265-L268 PolarHBondContact O-N 3.27Å; L265-L269 HydrophobicContact CD1-CD1 3.76Å; L265-L269 HydrophobicContact CD1-CG 3.92Å; L265-L269 HydrophobicContact CG-CD1 3.88Å; L265-L269 HydrophobicContact CG-CG 4.45Å; L265-L269 WeakPolarHBondContact O-CB 3.4Å; L265-L269 VanDerWaalsContact O-CG 3.3Å; L265-L269 WeakPolarHBondContact O-CG 3.46Å; L265-L269 PolarHBondContact O-N 3.46Å; L265-W296 HydrophobicContact CD1-CD2 4.34Å; L265-W296 HydrophobicContact CD1-CZ2 3.91Å
266K98.9Very high98.5Very high44 Ų4453.5 Ų53.519%0.19127%0.272CS..Hα-helixtrans-58.7-40.7176.9-70.6170.2-179.6152.50111.2F257 P258 S259 F261 S262 S263 R270F257-K266 HydrophobicContact CB-CD 4.17Å; F257-K266 HydrophobicContact CB-CG 3.91Å; F257-K266 HydrophobicContact CD1-CG 4.28Å; F257-K266 HydrophobicContact CD2-CB 4.46Å; F257-K266 HydrophobicContact CD2-CG 4.15Å; F257-K266 HydrophobicContact CG-CD 4.48Å; F257-K266 HydrophobicContact CG-CG 3.84Å; P258-K266 WeakPolarHBondContact O-CE 3.44Å; P258-K266 PolarHBondContact O-NZ 2.75Å; S259-K266 PolarHBondContact O-NZ 3.14Å; F261-K266 HydrophobicContact CB-CD 4.35Å; F261-K266 HydrophobicContact CB-CG 3.95Å; F261-K266 WeakPolarHBondContact O-CE 3.17Å; F261-K266 PolarHBondContact O-NZ 3.2Å; S262-K266 WeakPolarHBondContact O-CG 3.33Å; S262-K266 PolarHBondContact O-N 3.3Å; S262-K266 VanDerWaalsContact O-N 3.07Å; S263-K266 PolarHBondContact O-N 3.08Å; K266-R270 VanDerWaalsContact O-CG 3.3Å; K266-R270 WeakPolarHBondContact O-CG 3.3Å; K266-R270 PolarHBondContact O-N 2.84Å
267D98.8Very high98.4Very high71 Ų7145.3 Ų45.338%0.3825%0.245SC..Hα-helixtrans-66.5-46.7179.1-162.756.9000112.4S263 D264 L265 L269 R270 N271 H294S263-D267 WeakPolarHBondContact O-CB 3.48Å; S263-D267 PolarHBondContact O-N 3.22Å; D264-D267 PolarHBondContact O-N 2.82Å; L265-D267 VanDerWaalsContact C-N 3.26Å; L265-D267 PolarHBondContact O-N 3.29Å; D267-L269 VanDerWaalsContact C-N 3.33Å; D267-L269 PolarHBondContact O-N 3.39Å; D267-R270 PolarHBondContact O-N 2.97Å; D267-N271 PolarHBondContact O-N 3.43Å; D267-N271 PolarHBondContact O-ND2 3.38Å; D267-H294 IonicContact OD2-NE2 2.79Å; D267-H294 PolarHBondContact OD2-NE2 2.97Å
268L98.9Very high98.3Very high0 Ų047.4 Ų47.40%026%0.262CS..Hα-helixtrans-56.3-49.3174.4178.261.7000111.2D264 L265 R270 N271 L272 F281 I291 H294 W296 F297D264-L268 PolarHBondContact O-N 3.46Å; L265-L268 PolarHBondContact O-N 3.27Å; L268-R270 VanDerWaalsContact C-N 3.34Å; L268-R270 PolarHBondContact O-N 3.17Å; L268-N271 PolarHBondContact O-N 3.08Å; L268-N271 VanDerWaalsContact O-N 3.08Å; L268-L272 HydrophobicContact CD1-CD1 3.94Å; L268-L272 HydrophobicContact CD1-CG 4.18Å; L268-L272 HydrophobicContact CD2-CD1 4.42Å; L268-L272 HydrophobicContact CG-CD1 3.89Å; L268-L272 HydrophobicContact CG-CG 4.45Å; L268-L272 PolarHBondContact O-N 3.41Å; L268-F281 HydrophobicContact CD1-CD2 4.49Å; L268-I291 HydrophobicContact CD1-CG2 4.44Å; L268-H294 HydrophobicContact CD1-CB 4.23Å; L268-W296 HydrophobicContact CB-CB 4.4Å; L268-W296 HydrophobicContact CD2-CB 4.18Å; L268-W296 HydrophobicContact CD2-CD2 3.93Å; L268-W296 HydrophobicContact CD2-CE3 3.41Å; L268-W296 VanDerWaalsContact CD2-CE3 3.41Å; L268-W296 HydrophobicContact CD2-CG 4.27Å; L268-W296 HydrophobicContact CD2-CZ3 4.03Å; L268-F297 HydrophobicContact CD2-CD2 4.23Å; L268-F297 HydrophobicContact CD2-CE2 3.72Å; L268-F297 HydrophobicContact CD2-CZ 4.49Å
269L98.9Very high98.3Very high0 Ų052.6 Ų52.60%028%0.283CS..Hα-helixtrans-64.6-35.7-177.4-71.3173.9000112.5G225 V228 Y229 F257 F261 L265 D267 N271 L272 L273G225-L269 WeakPolarHBondContact O-CD2 3.35Å; V228-L269 HydrophobicContact CB-CD2 4.01Å; V228-L269 HydrophobicContact CG1-CD2 3.93Å; Y229-L269 HydrophobicContact CD2-CD1 4.05Å; F257-L269 HydrophobicContact CD1-CD1 4.16Å; F257-L269 HydrophobicContact CE1-CB 3.68Å; F257-L269 HydrophobicContact CE1-CD1 3.84Å; F257-L269 HydrophobicContact CE1-CG 4.44Å; F257-L269 HydrophobicContact CZ-CB 4.14Å; F261-L269 HydrophobicContact CD2-CD1 4Å; F261-L269 HydrophobicContact CE2-CD1 3.67Å; L265-L269 HydrophobicContact CD1-CD1 3.76Å; L265-L269 HydrophobicContact CD1-CG 3.92Å; L265-L269 HydrophobicContact CG-CD1 3.88Å; L265-L269 HydrophobicContact CG-CG 4.45Å; L265-L269 WeakPolarHBondContact O-CB 3.4Å; L265-L269 VanDerWaalsContact O-CG 3.3Å; L265-L269 WeakPolarHBondContact O-CG 3.46Å; L265-L269 PolarHBondContact O-N 3.46Å; D267-L269 VanDerWaalsContact C-N 3.33Å; D267-L269 PolarHBondContact O-N 3.39Å; L269-N271 PolarHBondContact O-N 3.27Å; L269-L272 PolarHBondContact O-N 2.89Å; L269-L273 WeakPolarHBondContact O-CA 3.29Å; L269-L273 WeakPolarHBondContact O-CB 3.42Å; L269-L273 WeakPolarHBondContact O-CG 3.48Å; L269-L273 PolarHBondContact O-N 3.25Å
270R98.7Very high98.4Very high125 Ų12547.1 Ų47.147%0.47225%0.245SC..Hα-helixtrans-62.7-33.1173.2-75.3-179.3-160.9108.3-1.5112.6F257 K266 D267 L268F257-R270 HydrophobicContact CE2-CG 3.98Å; F257-R270 HydrophobicContact CZ-CG 3.98Å; K266-R270 VanDerWaalsContact O-CG 3.3Å; K266-R270 WeakPolarHBondContact O-CG 3.3Å; K266-R270 PolarHBondContact O-N 2.84Å; D267-R270 PolarHBondContact O-N 2.97Å; L268-R270 VanDerWaalsContact C-N 3.34Å; L268-R270 PolarHBondContact O-N 3.17Å
271N98.8Very high98.4Very high39 Ų3944.5 Ų44.521%0.20923%0.232CC..Hα-helixtrans-82.6-29.1-179.8-74.8-69.1000113.2D267 L268 L269 R280 F281D267-N271 PolarHBondContact O-N 3.43Å; D267-N271 PolarHBondContact O-ND2 3.38Å; L268-N271 PolarHBondContact O-N 3.08Å; L268-N271 VanDerWaalsContact O-N 3.08Å; L269-N271 PolarHBondContact O-N 3.27Å; N271-R280 WeakPolarHBondContact O-CA 3.32Å; N271-F281 HydrophobicContact CB-CB 4.29Å; N271-F281 HydrophobicContact CB-CD1 3.58Å; N271-F281 HydrophobicContact CB-CD2 3.72Å; N271-F281 HydrophobicContact CB-CE1 3.68Å; N271-F281 HydrophobicContact CB-CE2 3.83Å; N271-F281 HydrophobicContact CB-CG 3.59Å; N271-F281 HydrophobicContact CB-CZ 3.81Å; N271-F281 PolarHBondContact O-N 3.47Å; N271-F281 WeakPolarHBondContact OD1-CE1 3.34Å
272L98.8Very high98.4Very high0 Ų044.4 Ų44.40%023%0.232CC..Hα-helixtrans-82.2-45173.5-68.7174000112.5W221 L224 L268 L269 Q274 R280 F281 I291W221-L272 HydrophobicContact CB-CD2 4.37Å; L224-L272 HydrophobicContact CD2-CD1 4.27Å; L224-L272 HydrophobicContact CG-CD1 4.27Å; L268-L272 HydrophobicContact CD1-CD1 3.94Å; L268-L272 HydrophobicContact CD1-CG 4.18Å; L268-L272 HydrophobicContact CD2-CD1 4.42Å; L268-L272 HydrophobicContact CG-CD1 3.89Å; L268-L272 HydrophobicContact CG-CG 4.45Å; L268-L272 PolarHBondContact O-N 3.41Å; L269-L272 PolarHBondContact O-N 2.89Å; L272-Q274 PolarHBondContact O-N 3.33Å; L272-R280 WeakPolarHBondContact O-CD 3.37Å; L272-R280 VanDerWaalsContact O-CG 3.24Å; L272-R280 WeakPolarHBondContact O-CG 3.4Å; L272-F281 HydrophobicContact CD2-CB 3.99Å; L272-I291 HydrophobicContact CD2-CD1 3.76Å; L272-I291 HydrophobicContact CD2-CG1 4.08Å
273L98.8Very high98.3Very high8 Ų844.2 Ų44.24%0.04223%0.228CC..SBendtrans-83.335.4176.6-58.2177.6000111.9W222 V226 P237 F238 V255 L269W222-L273 HydrophobicContact CD2-CD2 4.07Å; W222-L273 HydrophobicContact CE3-CD2 4.33Å; W222-L273 HydrophobicContact CH2-CB 4.45Å; W222-L273 HydrophobicContact CZ2-CD2 4.28Å; W222-L273 HydrophobicContact CZ3-CB 4.23Å; W222-L273 WeakPolarHBondContact CZ3-O 3.36Å; V226-L273 HydrophobicContact CG2-CD2 3.73Å; P237-L273 HydrophobicContact CB-CD1 4.22Å; P237-L273 HydrophobicContact CG-CD1 4.08Å; F238-L273 HydrophobicContact CE2-CD2 4.38Å; V255-L273 HydrophobicContact CG1-CD1 4.32Å; V255-L273 HydrophobicContact CG2-CB 4.35Å; V255-L273 HydrophobicContact CG2-CD1 3.97Å; L269-L273 WeakPolarHBondContact O-CA 3.29Å; L269-L273 WeakPolarHBondContact O-CB 3.42Å; L269-L273 WeakPolarHBondContact O-CG 3.48Å; L269-L273 PolarHBondContact O-N 3.25Å
274Q98.5Very high98.3Very high63 Ų6342.7 Ų42.729%0.29421%0.213SC..  trans-83.1119177.1176.753.5-99.400109.8L272 D276 K279 R280L272-Q274 PolarHBondContact O-N 3.33Å; Q274-D276 VanDerWaalsContact C-N 3.34Å; Q274-D276 HydrophobicContact CG-CB 4.44Å; Q274-D276 WeakPolarHBondContact CG-O 3.34Å; Q274-D276 PolarHBondContact O-N 2.87Å; Q274-D276 VanDerWaalsContact OE1-N 3.17Å; Q274-K279 HydrophobicContact CG-CB 3.71Å; Q274-R280 HydrophobicContact CB-CB 4.14Å; Q274-R280 HydrophobicContact CB-CG 4.31Å; Q274-R280 VanDerWaalsContact O-CZ 3.27Å; Q274-R280 PolarHBondContact O-NE 2.9Å; Q274-R280 PolarHBondContact O-NH2 3.49Å
275V98.3Very high98.2Very high46 Ų4650 Ų5028%0.27924%0.242SC..SBendtrans-64.8-39.4-178.8175.60000111.5P207 W222 L277P207-V275 HydrophobicContact CB-CG1 4.02Å; P207-V275 HydrophobicContact CG-CB 4.35Å; P207-V275 HydrophobicContact CG-CG1 4.07Å; P207-V275 HydrophobicContact CG-CG2 4.12Å; W222-V275 HydrophobicContact CH2-CG2 4.34Å; W222-V275 HydrophobicContact CZ3-CG2 4.31Å; V275-L277 PolarHBondContact O-N 3.02Å; V275-L277 VanDerWaalsContact O-N 3.12Å
276D97.4Very high98Very high55 Ų5554.7 Ų54.729%0.29427%0.267SS..SBendtrans-75.199.3174-177-6.2000110.2Q274 T278 K279 R280Q274-D276 VanDerWaalsContact C-N 3.34Å; Q274-D276 HydrophobicContact CG-CB 4.44Å; Q274-D276 WeakPolarHBondContact CG-O 3.34Å; Q274-D276 PolarHBondContact O-N 2.87Å; Q274-D276 VanDerWaalsContact OE1-N 3.17Å; D276-T278 VanDerWaalsContact CG-OG1 3.27Å; D276-T278 PolarHBondContact O-N 3.07Å; D276-T278 WeakPolarHBondContact OD1-CB 3.5Å; D276-T278 PolarHBondContact OD1-N 3.45Å; D276-T278 VanDerWaalsContact OD1-N 3.07Å; D276-T278 PolarHBondContact OD1-OG1 2.89Å; D276-T278 PolarHBondContact OD2-OG1 3.21Å; D276-K279 HydrophobicContact CB-CB 4.45Å; D276-K279 HydrophobicContact CB-CD 4.22Å; D276-K279 HydrophobicContact CB-CG 4.48Å; D276-K279 PolarHBondContact O-N 3.46Å; D276-K279 WeakPolarHBondContact OD2-CD 3.39Å; D276-K279 WeakPolarHBondContact OD2-CE 3.35Å; D276-K279 IonicContact OD2-NZ 3.2Å; D276-K279 PolarHBondContact OD2-NZ 3.21Å; D276-K279 VanDerWaalsContact OD2-NZ 3.1Å; D276-R280 PolarHBondContact O-N 3.48Å
277L95.6Very high97.9Very high50 Ų5053.4 Ų53.426%0.26227%0.266SS..THydrogen-bonded Turntrans-55-21.8-17968.486.7000113.9E208 V275 K279 N283E208-L277 HydrophobicContact CB-CD2 4.25Å; E208-L277 HydrophobicContact CG-CD2 4.32Å; V275-L277 PolarHBondContact O-N 3.02Å; V275-L277 VanDerWaalsContact O-N 3.12Å; L277-K279 PolarHBondContact O-N 2.53Å; L277-N283 PolarHBondContact O-ND2 3.16Å
278T96Very high97.9Very high91 Ų9151 Ų5156%0.55825%0.254SS*.THydrogen-bonded Turntrans-74.8-13177.572.10000113D276 L284D276-T278 VanDerWaalsContact CG-OG1 3.27Å; D276-T278 PolarHBondContact O-N 3.07Å; D276-T278 WeakPolarHBondContact OD1-CB 3.5Å; D276-T278 PolarHBondContact OD1-N 3.45Å; D276-T278 VanDerWaalsContact OD1-N 3.07Å; D276-T278 PolarHBondContact OD1-OG1 2.89Å; D276-T278 PolarHBondContact OD2-OG1 3.21Å; T278-L284 WeakPolarHBondContact O-CD2 3.31Å
279K98.3Very high97.8Very high121 Ų12154.9 Ų54.953%0.52628%0.275SS..THydrogen-bonded Turntrans-113.7-2.4179-64.2174.8-172155.70112.8Q274 D276 L277Q274-K279 HydrophobicContact CG-CB 3.71Å; D276-K279 HydrophobicContact CB-CB 4.45Å; D276-K279 HydrophobicContact CB-CD 4.22Å; D276-K279 HydrophobicContact CB-CG 4.48Å; D276-K279 PolarHBondContact O-N 3.46Å; D276-K279 WeakPolarHBondContact OD2-CD 3.39Å; D276-K279 WeakPolarHBondContact OD2-CE 3.35Å; D276-K279 IonicContact OD2-NZ 3.2Å; D276-K279 PolarHBondContact OD2-NZ 3.21Å; D276-K279 VanDerWaalsContact OD2-NZ 3.1Å; L277-K279 PolarHBondContact O-N 2.53Å
280R98.7Very high97.8Very high0 Ų056.1 Ų56.10%028%0.281CS..SBendtrans-77132-177.4-166.6179.5-60.1150.44.8111.1E208 A218 N271 L272 Q274 D276 N283E208-R280 IonicContact OE1-CZ 3.14Å; E208-R280 IonicContact OE1-NH1 3.74Å; E208-R280 PolarHBondContact OE1-NH1 3.05Å; E208-R280 IonicContact OE1-NH2 3.37Å; E208-R280 IonicContact OE2-CZ 3.71Å; E208-R280 IonicContact OE2-NH1 2.69Å; E208-R280 PolarHBondContact OE2-NH1 3.08Å; E208-R280 IonicContact OE2-NH2 2.68Å; E208-R280 PolarHBondContact OE2-NH2 3.31Å; A218-R280 PolarHBondContact O-NH1 3.06Å; N271-R280 WeakPolarHBondContact O-CA 3.32Å; L272-R280 WeakPolarHBondContact O-CD 3.37Å; L272-R280 VanDerWaalsContact O-CG 3.24Å; L272-R280 WeakPolarHBondContact O-CG 3.4Å; Q274-R280 HydrophobicContact CB-CB 4.14Å; Q274-R280 HydrophobicContact CB-CG 4.31Å; Q274-R280 VanDerWaalsContact O-CZ 3.27Å; Q274-R280 PolarHBondContact O-NE 2.9Å; Q274-R280 PolarHBondContact O-NH2 3.49Å; D276-R280 PolarHBondContact O-N 3.48Å; R280-N283 PolarHBondContact O-N 3.3Å; R280-N283 VanDerWaalsContact O-N 3.15Å
281F98.7Very high97.8Very high28 Ų2850.1 Ų50.112%0.12326%0.259CS..THydrogen-bonded Turntrans-57.3147.2173.2-86.521.7000111.6W221 L268 N271 L272 N283 L284 D290 I291 H294W221-F281 WeakPolarHBondContact CB-O 3.37Å; L268-F281 HydrophobicContact CD1-CD2 4.49Å; N271-F281 HydrophobicContact CB-CB 4.29Å; N271-F281 HydrophobicContact CB-CD1 3.58Å; N271-F281 HydrophobicContact CB-CD2 3.72Å; N271-F281 HydrophobicContact CB-CE1 3.68Å; N271-F281 HydrophobicContact CB-CE2 3.83Å; N271-F281 HydrophobicContact CB-CG 3.59Å; N271-F281 HydrophobicContact CB-CZ 3.81Å; N271-F281 PolarHBondContact O-N 3.47Å; N271-F281 WeakPolarHBondContact OD1-CE1 3.34Å; L272-F281 HydrophobicContact CD2-CB 3.99Å; F281-N283 PolarHBondContact O-N 2.92Å; F281-L284 HydrophobicContact CD1-CD1 3.87Å; F281-L284 HydrophobicContact CE1-CD1 4.1Å; F281-D290 HydrophobicContact CD1-CB 4.12Å; F281-D290 HydrophobicContact CD2-CB 3.96Å; F281-D290 WeakPolarHBondContact CD2-O 3.44Å; F281-D290 HydrophobicContact CE1-CB 4.28Å; F281-D290 HydrophobicContact CE2-CB 4.11Å; F281-D290 WeakPolarHBondContact CE2-O 3.3Å; F281-D290 HydrophobicContact CG-CB 3.96Å; F281-D290 HydrophobicContact CZ-CB 4.28Å; F281-I291 HydrophobicContact CB-CD1 4.47Å; F281-I291 HydrophobicContact CB-CG1 3.88Å; F281-I291 HydrophobicContact CD2-CG1 4.31Å; F281-H294 AromaticContact CE2-CD2 3.89Å
282G98.3Very high97.7Very high2 Ų249.4 Ų49.42%0.02125%0.253CS..THydrogen-bonded Turntrans84.2-17.4-17100000114.4W221 G287W221-G282 PolarHBondContact NE1-O 3.19Å; G282-G287 VanDerWaalsContact CA-O 3.31Å; G282-G287 WeakPolarHBondContact CA-O 3.46Å; G282-G287 PolarHBondContact N-O 3.12Å
283N97.9Very high97.7Very high38 Ų3854.7 Ų54.720%0.20329%0.286CS..SBendtrans-116.83.4179-163.653.2000113.9N216 A218 L277 R280 F281N216-N283 PolarHBondContact ND2-OD1 2.9Å; A218-N283 HydrophobicContact CB-CB 3.84Å; L277-N283 PolarHBondContact O-ND2 3.16Å; R280-N283 PolarHBondContact O-N 3.3Å; R280-N283 VanDerWaalsContact O-N 3.15Å; F281-N283 PolarHBondContact O-N 2.92Å
284L97.6Very high97.7Very high58 Ų5855.1 Ų55.130%0.30429%0.288SS..SBendtrans-82.5-179173.9-51.3-175.2000111.4T278 F281 N286 G287 D290T278-L284 WeakPolarHBondContact O-CD2 3.31Å; F281-L284 HydrophobicContact CD1-CD1 3.87Å; F281-L284 HydrophobicContact CE1-CD1 4.1Å; L284-N286 VanDerWaalsContact C-N 3.28Å; L284-N286 PolarHBondContact O-N 2.98Å; L284-G287 WeakPolarHBondContact O-CA 3.33Å; L284-G287 PolarHBondContact O-N 3.27Å; L284-D290 WeakPolarHBondContact CB-OD2 3.44Å
285K96.6Very high97.7Very high212 Ų21259.3 Ų59.392%0.92231%0.305SS*.THydrogen-bonded Turntrans-56.3-37.5179.2-173.3179.8178-176.30113.4G287K285-G287 VanDerWaalsContact C-N 3.29Å
286N96.3Very high97.7Very high98 Ų9857.2 Ų57.252%0.52429%0.292SS..THydrogen-bonded Turntrans-84.1-4.8178.4-57.9-27000112.8L284 V288 N289 D290L284-N286 VanDerWaalsContact C-N 3.28Å; L284-N286 PolarHBondContact O-N 2.98Å; N286-V288 PolarHBondContact O-N 3.22Å; N286-N289 HydrophobicContact CB-CB 4.39Å; N286-N289 WeakPolarHBondContact O-CB 3.46Å; N286-N289 PolarHBondContact O-N 2.74Å; N286-N289 VanDerWaalsContact O-N 3.16Å; N286-D290 WeakPolarHBondContact CB-OD1 3.49Å; N286-D290 PolarHBondContact ND2-OD1 3.12Å
287G96.7Very high97.8Very high17 Ų1754.8 Ų54.818%0.17528%0.279CS..THydrogen-bonded Turntrans57.3-128.3177.600000112.9G282 L284 K285 N289 D290G282-G287 VanDerWaalsContact CA-O 3.31Å; G282-G287 WeakPolarHBondContact CA-O 3.46Å; G282-G287 PolarHBondContact N-O 3.12Å; L284-G287 WeakPolarHBondContact O-CA 3.33Å; L284-G287 PolarHBondContact O-N 3.27Å; K285-G287 VanDerWaalsContact C-N 3.29Å; G287-N289 PolarHBondContact O-N 3.15Å; G287-D290 PolarHBondContact O-N 3.43Å
288V97.6Very high97.9Very high20 Ų2056.3 Ų56.312%0.12130%0.299CS..THydrogen-bonded Turntrans-64.9-21.7-178.968.30000113.2V151 E155 W221 N286 D290 I291 K292V151-V288 HydrophobicContact CG1-CG2 3.72Å; E155-V288 HydrophobicContact CB-CG1 4.5Å; E155-V288 HydrophobicContact CB-CG2 4.28Å; E155-V288 HydrophobicContact CG-CG1 3.99Å; E155-V288 WeakPolarHBondContact OE1-CG1 3.32Å; W221-V288 HydrophobicContact CH2-CB 4.23Å; W221-V288 HydrophobicContact CH2-CG2 3.54Å; W221-V288 HydrophobicContact CZ2-CB 4.15Å; W221-V288 HydrophobicContact CZ2-CG2 3.98Å; W221-V288 HydrophobicContact CZ3-CG2 4.33Å; N286-V288 PolarHBondContact O-N 3.22Å; V288-D290 VanDerWaalsContact C-N 3.27Å; V288-D290 PolarHBondContact O-N 3.27Å; V288-I291 WeakPolarHBondContact O-CA 3.46Å; V288-I291 WeakPolarHBondContact O-CB 3.39Å; V288-I291 PolarHBondContact O-N 2.81Å; V288-K292 HydrophobicContact CG1-CD 4.19Å; V288-K292 HydrophobicContact CG2-CD 3.97Å; V288-K292 HydrophobicContact CG2-CG 4.13Å; V288-K292 PolarHBondContact O-N 2.96Å
289N97.5Very high98Very high82 Ų8257.2 Ų57.244%0.43930%0.304SS..Hα-helixtrans-65.2-31.6-178.2-70.8-35000112.3N286 G287 I291 K292 T293N286-N289 HydrophobicContact CB-CB 4.39Å; N286-N289 WeakPolarHBondContact O-CB 3.46Å; N286-N289 PolarHBondContact O-N 2.74Å; N286-N289 VanDerWaalsContact O-N 3.16Å; G287-N289 PolarHBondContact O-N 3.15Å; N289-I291 PolarHBondContact O-N 2.84Å; N289-I291 VanDerWaalsContact O-N 3.15Å; N289-K292 PolarHBondContact O-N 3.35Å; N289-K292 VanDerWaalsContact O-N 3.17Å; N289-T293 PolarHBondContact O-N 2.94Å; N289-T293 PolarHBondContact O-OG1 3.41Å
290D98.3Very high98Very high25 Ų2552.5 Ų52.513%0.13429%0.285CS..Hα-helixtrans-59.6-27.4173.9-66-38.6000111.9F281 L284 N286 G287 V288F281-D290 HydrophobicContact CD1-CB 4.12Å; F281-D290 HydrophobicContact CD2-CB 3.96Å; F281-D290 WeakPolarHBondContact CD2-O 3.44Å; F281-D290 HydrophobicContact CE1-CB 4.28Å; F281-D290 HydrophobicContact CE2-CB 4.11Å; F281-D290 WeakPolarHBondContact CE2-O 3.3Å; F281-D290 HydrophobicContact CG-CB 3.96Å; F281-D290 HydrophobicContact CZ-CB 4.28Å; L284-D290 WeakPolarHBondContact CB-OD2 3.44Å; N286-D290 WeakPolarHBondContact CB-OD1 3.49Å; N286-D290 PolarHBondContact ND2-OD1 3.12Å; G287-D290 PolarHBondContact O-N 3.43Å; V288-D290 VanDerWaalsContact C-N 3.27Å; V288-D290 PolarHBondContact O-N 3.27Å
291I98.8Very high97.9Very high0 Ų055.7 Ų55.70%030%0.303CS..Hα-helixtrans-82.7-51.3173.4-54.4171.1000109.8V151 W221 L268 L272 F281 V288 N289 T293 H294 F297V151-I291 HydrophobicContact CG2-CG2 3.86Å; W221-I291 HydrophobicContact CD2-CD1 3.73Å; W221-I291 HydrophobicContact CE3-CD1 3.29Å; W221-I291 HydrophobicContact CG-CD1 4.39Å; W221-I291 HydrophobicContact CH2-CD1 4.27Å; W221-I291 HydrophobicContact CZ3-CD1 3.6Å; L268-I291 HydrophobicContact CD1-CG2 4.44Å; L272-I291 HydrophobicContact CD2-CD1 3.76Å; L272-I291 HydrophobicContact CD2-CG1 4.08Å; F281-I291 HydrophobicContact CB-CD1 4.47Å; F281-I291 HydrophobicContact CB-CG1 3.88Å; F281-I291 HydrophobicContact CD2-CG1 4.31Å; V288-I291 WeakPolarHBondContact O-CA 3.46Å; V288-I291 WeakPolarHBondContact O-CB 3.39Å; V288-I291 PolarHBondContact O-N 2.81Å; N289-I291 PolarHBondContact O-N 2.84Å; N289-I291 VanDerWaalsContact O-N 3.15Å; I291-T293 VanDerWaalsContact C-N 3.28Å; I291-T293 PolarHBondContact O-N 3.36Å; I291-H294 VanDerWaalsContact O-CB 3.26Å; I291-H294 WeakPolarHBondContact O-CB 3.41Å; I291-H294 PolarHBondContact O-N 3.07Å; I291-H294 VanDerWaalsContact O-N 3.1Å; I291-F297 HydrophobicContact CG2-CD2 4.15Å; I291-F297 HydrophobicContact CG2-CE2 3.65Å; I291-F297 VanDerWaalsContact O-CD2 3.27Å; I291-F297 WeakPolarHBondContact O-CD2 3.34Å
292K98.3Very high97.7Very high23 Ų2356.3 Ų56.310%0.130%0.304CS..Hα-helixtrans-62.9-31.5-173.9-69.8172.574.5169.30113.7V151 E155 V288 N289 W302V151-K292 HydrophobicContact CG1-CD 4.38Å; V151-K292 HydrophobicContact CG1-CG 3.84Å; E155-K292 IonicContact OE1-NZ 3.48Å; E155-K292 PolarHBondContact OE1-NZ 3.1Å; E155-K292 IonicContact OE2-NZ 3.3Å; E155-K292 PolarHBondContact OE2-NZ 3.34Å; V288-K292 HydrophobicContact CG1-CD 4.19Å; V288-K292 HydrophobicContact CG2-CD 3.97Å; V288-K292 HydrophobicContact CG2-CG 4.13Å; V288-K292 PolarHBondContact O-N 2.96Å; N289-K292 PolarHBondContact O-N 3.35Å; N289-K292 VanDerWaalsContact O-N 3.17Å; K292-W302 VanDerWaalsContact CA-CZ2 3.44Å; K292-W302 HydrophobicContact CB-CD2 4.4Å; K292-W302 HydrophobicContact CB-CH2 4.42Å; K292-W302 HydrophobicContact CB-CZ2 3.77Å; K292-W302 HydrophobicContact CD-CD2 4.47Å; K292-W302 HydrophobicContact CG-CD2 4.07Å; K292-W302 HydrophobicContact CG-CE3 4.23Å; K292-W302 HydrophobicContact CG-CH2 3.85Å; K292-W302 HydrophobicContact CG-CZ2 3.69Å; K292-W302 HydrophobicContact CG-CZ3 4.11Å; K292-W302 PolarHBondContact O-NE1 3.04Å; K292-W302 VanDerWaalsContact O-NE1 3.14Å
293T97.9Very high97.5Very high112 Ų11260.1 Ų60.169%0.68732%0.32SS*.THydrogen-bonded Turntrans-97.12.7179670000113.3N289 I291N289-T293 PolarHBondContact O-N 2.94Å; N289-T293 PolarHBondContact O-OG1 3.41Å; I291-T293 VanDerWaalsContact C-N 3.28Å; I291-T293 PolarHBondContact O-N 3.36Å
294H98.8Very high97.4Very high17 Ų1759.5 Ų59.58%0.07932%0.319CS..SBendtrans-63.3145.5177.4-171.5-92.1000111D264 D267 L268 F281 I291 W296 F297 A298D264-H294 PolarHBondContact O-CE1 3.41Å; D267-H294 IonicContact OD2-NE2 2.79Å; D267-H294 PolarHBondContact OD2-NE2 2.97Å; L268-H294 HydrophobicContact CD1-CB 4.23Å; F281-H294 AromaticContact CE2-CD2 3.89Å; I291-H294 VanDerWaalsContact O-CB 3.26Å; I291-H294 WeakPolarHBondContact O-CB 3.41Å; I291-H294 PolarHBondContact O-N 3.07Å; I291-H294 VanDerWaalsContact O-N 3.1Å; H294-W296 WeakPolarHBondContact ND1-CB 3.28Å; H294-W296 PolarHBondContact ND1-N 3.24Å; H294-W296 VanDerWaalsContact ND1-N 3.13Å; H294-W296 PolarHBondContact O-N 3.41Å; H294-W296 VanDerWaalsContact O-N 3.12Å; H294-F297 CarbonylContact O-C 3.58Å; H294-F297 WeakPolarHBondContact O-CA 3.49Å; H294-F297 PolarHBondContact O-N 3.48Å; H294-A298 PolarHBondContact O-N 2.9Å
295K98.7Very high97.3Very high151 Ų15157 Ų5766%0.65731%0.306SS*.G310 helixtrans-54.6-36.3-176.9-69.2-177.2-179.7177.80113.5D264 F297 A298D264-K295 HydrophobicContact CB-CB 4.36Å; K295-F297 PolarHBondContact O-N 3.19Å; K295-A298 WeakPolarHBondContact O-CB 3.46Å; K295-A298 PolarHBondContact O-N 2.97Å
296W98.9Very high97.3Very high2 Ų249.1 Ų49.11%0.00827%0.272CS..G310 helixtrans-60-29.1176.2-166.774.2000113E140 R144 A147 V228 D264 L265 L268 H294E140-W296 HydrophobicContact CB-CZ2 4.41Å; E140-W296 WeakPolarHBondContact O-CZ2 3.3Å; E140-W296 PolarHBondContact OE2-NE1 2.86Å; R144-W296 HydrophobicContact CB-CE3 4.39Å; R144-W296 HydrophobicContact CB-CH2 3.55Å; R144-W296 HydrophobicContact CB-CZ2 3.89Å; R144-W296 HydrophobicContact CB-CZ3 3.81Å; R144-W296 VanDerWaalsContact CD-O 3.29Å; R144-W296 WeakPolarHBondContact CD-O 3.5Å; R144-W296 HydrophobicContact CG-CE3 4.1Å; R144-W296 HydrophobicContact CG-CH2 4.14Å; R144-W296 HydrophobicContact CG-CZ3 3.87Å; R144-W296 PolarHBondContact NE-O 3.15Å; A147-W296 HydrophobicContact CB-CH2 4.37Å; A147-W296 HydrophobicContact CB-CZ3 4.1Å; V228-W296 HydrophobicContact CG1-CH2 3.9Å; V228-W296 HydrophobicContact CG1-CZ2 4.39Å; V228-W296 HydrophobicContact CG1-CZ3 4.29Å; D264-W296 HydrophobicContact CB-CB 4.07Å; L265-W296 HydrophobicContact CD1-CD2 4.34Å; L265-W296 HydrophobicContact CD1-CZ2 3.91Å; L268-W296 HydrophobicContact CB-CB 4.4Å; L268-W296 HydrophobicContact CD2-CB 4.18Å; L268-W296 HydrophobicContact CD2-CD2 3.93Å; L268-W296 HydrophobicContact CD2-CE3 3.41Å; L268-W296 VanDerWaalsContact CD2-CE3 3.41Å; L268-W296 HydrophobicContact CD2-CG 4.27Å; L268-W296 HydrophobicContact CD2-CZ3 4.03Å; H294-W296 WeakPolarHBondContact ND1-CB 3.28Å; H294-W296 PolarHBondContact ND1-N 3.24Å; H294-W296 VanDerWaalsContact ND1-N 3.13Å; H294-W296 PolarHBondContact O-N 3.41Å; H294-W296 VanDerWaalsContact O-N 3.12Å
297F98.8Very high97.2Very high3 Ų349.5 Ų49.51%0.01327%0.269CS..G310 helixtrans-96.610.9174.6-73.8-71.4000113.4R144 A147 V151 L268 I291 H294 K295 T299 T300 W302R144-F297 HydrophobicContact CG-CD1 3.67Å; R144-F297 HydrophobicContact CG-CE1 3.82Å; A147-F297 HydrophobicContact CB-CE1 4.15Å; A147-F297 HydrophobicContact CB-CZ 3.9Å; V151-F297 HydrophobicContact CG2-CZ 4.26Å; L268-F297 HydrophobicContact CD2-CD2 4.23Å; L268-F297 HydrophobicContact CD2-CE2 3.72Å; L268-F297 HydrophobicContact CD2-CZ 4.49Å; I291-F297 HydrophobicContact CG2-CD2 4.15Å; I291-F297 HydrophobicContact CG2-CE2 3.65Å; I291-F297 VanDerWaalsContact O-CD2 3.27Å; I291-F297 WeakPolarHBondContact O-CD2 3.34Å; H294-F297 CarbonylContact O-C 3.58Å; H294-F297 WeakPolarHBondContact O-CA 3.49Å; H294-F297 PolarHBondContact O-N 3.48Å; K295-F297 PolarHBondContact O-N 3.19Å; F297-T299 PolarHBondContact O-N 3.35Å; F297-T300 HydrophobicContact CD1-CG2 4.43Å; F297-T300 VanDerWaalsContact O-CB 3.28Å; F297-T300 WeakPolarHBondContact O-CB 3.3Å; F297-T300 PolarHBondContact O-N 3.25Å; F297-W302 HydrophobicContact CB-CZ2 3.82Å; F297-W302 AromaticContact CD1-CH2 3.82Å; F297-W302 HydrophobicContact CD1-CH2 3.82Å; F297-W302 AromaticContact CD1-CZ2 3.8Å; F297-W302 HydrophobicContact CD1-CZ2 3.8Å; F297-W302 HydrophobicContact CD2-CH2 4.5Å; F297-W302 HydrophobicContact CD2-CZ2 4.36Å; F297-W302 AromaticContact CE1-CH2 3.98Å; F297-W302 HydrophobicContact CE1-CH2 3.98Å; F297-W302 HydrophobicContact CE1-CZ2 4.42Å; F297-W302 HydrophobicContact CG-CH2 4.09Å; F297-W302 AromaticContact CG-CZ2 3.76Å; F297-W302 HydrophobicContact CG-CZ2 3.76Å; F297-W302 HydrophobicContact CZ-CH2 4.37Å
298A98.1Very high97.2Very high82 Ų8251.9 Ų51.968%0.67827%0.272SS*.THydrogen-bonded Turntrans-59.5-26.5-175.100000114H294 K295H294-A298 PolarHBondContact O-N 2.9Å; K295-A298 WeakPolarHBondContact O-CB 3.46Å; K295-A298 PolarHBondContact O-N 2.97Å
299T97.3Very high97.1Very high110 Ų11056.5 Ų56.568%0.67530%0.296SS*.THydrogen-bonded Turntrans-92.13.7177.3700000113.4R144 F297R144-T299 PolarHBondContact NH1-OG1 3.37Å; F297-T299 PolarHBondContact O-N 3.35Å
300T97.9Very high97.1Very high22 Ų2255.6 Ų55.614%0.13529%0.291CS..  trans-89117-176.6-64.20000110.2R144 F297 W302 I305R144-T300 WeakPolarHBondContact CD-OG1 3.49Å; F297-T300 HydrophobicContact CD1-CG2 4.43Å; F297-T300 VanDerWaalsContact O-CB 3.28Å; F297-T300 WeakPolarHBondContact O-CB 3.3Å; F297-T300 PolarHBondContact O-N 3.25Å; T300-W302 HydrophobicContact CG2-CD2 3.89Å; T300-W302 HydrophobicContact CG2-CE3 4.16Å; T300-W302 HydrophobicContact CG2-CG 4.35Å; T300-W302 HydrophobicContact CG2-CH2 4.28Å; T300-W302 HydrophobicContact CG2-CZ2 3.97Å; T300-W302 HydrophobicContact CG2-CZ3 4.38Å; T300-W302 PolarHBondContact O-N 3.29Å; T300-I305 HydrophobicContact CG2-CG1 4.28Å
301D96.3Very high97Very high67 Ų6763.1 Ų63.136%0.35833%0.325SS..  trans-85.696.9166.1-175.4-13.6000109.7F303 S304 I305D301-F303 VanDerWaalsContact C-N 3.26Å; D301-F303 PolarHBondContact O-N 3.4Å; D301-F303 PolarHBondContact OD1-N 2.81Å; D301-F303 VanDerWaalsContact OD1-N 3.09Å; D301-S304 VanDerWaalsContact CG-CB 3.5Å; D301-S304 PolarHBondContact O-N 3.33Å; D301-S304 PolarHBondContact OD1-N 3.09Å; D301-S304 VanDerWaalsContact OD1-N 3.17Å; D301-S304 WeakPolarHBondContact OD2-CB 3.49Å; D301-S304 PolarHBondContact OD2-OG 3.34Å; D301-I305 VanDerWaalsContact O-CG1 3.29Å; D301-I305 WeakPolarHBondContact O-CG1 3.22Å; D301-I305 PolarHBondContact O-N 3.14Å
302W96Very high97Very high42 Ų4263.7 Ų63.716%0.15933%0.33CS..Hα-helixtrans-59.1-34.5-177.6-63.899.7000113.7S148 V151 L152 K292 F297 T300 F306S148-W302 WeakPolarHBondContact O-CZ3 3.22Å; V151-W302 HydrophobicContact CB-CH2 4.02Å; V151-W302 HydrophobicContact CB-CZ3 3.83Å; V151-W302 HydrophobicContact CG1-CH2 3.75Å; V151-W302 HydrophobicContact CG1-CZ3 3.63Å; V151-W302 HydrophobicContact CG2-CH2 4.37Å; L152-W302 HydrophobicContact CD1-CE3 4.2Å; L152-W302 HydrophobicContact CD2-CE3 3.87Å; L152-W302 HydrophobicContact CG-CE3 3.84Å; L152-W302 HydrophobicContact CG-CZ3 4.18Å; K292-W302 VanDerWaalsContact CA-CZ2 3.44Å; K292-W302 HydrophobicContact CB-CD2 4.4Å; K292-W302 HydrophobicContact CB-CH2 4.42Å; K292-W302 HydrophobicContact CB-CZ2 3.77Å; K292-W302 HydrophobicContact CD-CD2 4.47Å; K292-W302 HydrophobicContact CG-CD2 4.07Å; K292-W302 HydrophobicContact CG-CE3 4.23Å; K292-W302 HydrophobicContact CG-CH2 3.85Å; K292-W302 HydrophobicContact CG-CZ2 3.69Å; K292-W302 HydrophobicContact CG-CZ3 4.11Å; K292-W302 PolarHBondContact O-NE1 3.04Å; K292-W302 VanDerWaalsContact O-NE1 3.14Å; F297-W302 HydrophobicContact CB-CZ2 3.82Å; F297-W302 AromaticContact CD1-CH2 3.82Å; F297-W302 HydrophobicContact CD1-CH2 3.82Å; F297-W302 AromaticContact CD1-CZ2 3.8Å; F297-W302 HydrophobicContact CD1-CZ2 3.8Å; F297-W302 HydrophobicContact CD2-CH2 4.5Å; F297-W302 HydrophobicContact CD2-CZ2 4.36Å; F297-W302 AromaticContact CE1-CH2 3.98Å; F297-W302 HydrophobicContact CE1-CH2 3.98Å; F297-W302 HydrophobicContact CE1-CZ2 4.42Å; F297-W302 HydrophobicContact CG-CH2 4.09Å; F297-W302 AromaticContact CG-CZ2 3.76Å; F297-W302 HydrophobicContact CG-CZ2 3.76Å; F297-W302 HydrophobicContact CZ-CH2 4.37Å; T300-W302 HydrophobicContact CG2-CD2 3.89Å; T300-W302 HydrophobicContact CG2-CE3 4.16Å; T300-W302 HydrophobicContact CG2-CG 4.35Å; T300-W302 HydrophobicContact CG2-CH2 4.28Å; T300-W302 HydrophobicContact CG2-CZ2 3.97Å; T300-W302 HydrophobicContact CG2-CZ3 4.38Å; T300-W302 PolarHBondContact O-N 3.29Å; W302-F306 WeakPolarHBondContact O-CB 3.48Å; W302-F306 PolarHBondContact O-N 3.15Å
303F93.6Very high96.9Very high82 Ų8265.9 Ų65.936%0.3635%0.346SS..Hα-helixtrans-75.4-44.2-178.6-171.8-98.9000110.8D301 I305 F306 K307D301-F303 VanDerWaalsContact C-N 3.26Å; D301-F303 PolarHBondContact O-N 3.4Å; D301-F303 PolarHBondContact OD1-N 2.81Å; D301-F303 VanDerWaalsContact OD1-N 3.09Å; F303-I305 VanDerWaalsContact C-N 3.33Å; F303-I305 PolarHBondContact O-N 3.29Å; F303-F306 WeakPolarHBondContact O-CB 3.26Å; F303-F306 PolarHBondContact O-N 2.88Å; F303-K307 HydrophobicContact CD1-CG 4.08Å; F303-K307 HydrophobicContact CE1-CD 4.5Å; F303-K307 HydrophobicContact CE1-CG 3.74Å; F303-K307 HydrophobicContact CZ-CD 4.38Å; F303-K307 VanDerWaalsContact CZ-CE 3.45Å; F303-K307 HydrophobicContact CZ-CG 4.03Å; F303-K307 WeakPolarHBondContact O-CG 3.29Å; F303-K307 PolarHBondContact O-N 3.4Å
304S95.5Very high96.7Very high25 Ų2562.8 Ų62.818%0.17532%0.324CS..Hα-helixtrans-64.1-37175.6-62.10000112.1D301 R308 D309D301-S304 VanDerWaalsContact CG-CB 3.5Å; D301-S304 PolarHBondContact O-N 3.33Å; D301-S304 PolarHBondContact OD1-N 3.09Å; D301-S304 VanDerWaalsContact OD1-N 3.17Å; D301-S304 WeakPolarHBondContact OD2-CB 3.49Å; D301-S304 PolarHBondContact OD2-OG 3.34Å; S304-R308 PolarHBondContact O-N 2.77Å; S304-R308 VanDerWaalsContact O-N 3.1Å; S304-D309 PolarHBondContact O-N 2.73Å
305I96.8Very high96.5Very high6 Ų665.9 Ų65.93%0.03134%0.344CS..Hα-helixtrans-60.1-53.1170.2-67.7-70.3000109.9F102 F145 Q149 L152 T300 D301 F303 K307 R308 I310F102-I305 HydrophobicContact CE2-CG2 4.26Å; F102-I305 HydrophobicContact CZ-CG2 4Å; F102-I305 WeakPolarHBondContact CZ-O 3.46Å; F145-I305 HydrophobicContact CD2-CD1 3.63Å; F145-I305 HydrophobicContact CE2-CD1 3.73Å; Q149-I305 HydrophobicContact CG-CG2 3.72Å; L152-I305 HydrophobicContact CD1-CB 4.26Å; L152-I305 HydrophobicContact CD1-CG2 3.71Å; T300-I305 HydrophobicContact CG2-CG1 4.28Å; D301-I305 VanDerWaalsContact O-CG1 3.29Å; D301-I305 WeakPolarHBondContact O-CG1 3.22Å; D301-I305 PolarHBondContact O-N 3.14Å; F303-I305 VanDerWaalsContact C-N 3.33Å; F303-I305 PolarHBondContact O-N 3.29Å; I305-K307 VanDerWaalsContact C-N 3.29Å; I305-K307 PolarHBondContact O-N 3.34Å; I305-R308 WeakPolarHBondContact O-CA 3.46Å; I305-R308 PolarHBondContact O-N 2.68Å; I305-I310 HydrophobicContact CD1-CB 4.06Å; I305-I310 HydrophobicContact CD1-CG1 3.85Å; I305-I310 HydrophobicContact CD1-CG2 4.33Å; I305-I310 HydrophobicContact CG1-CG1 4.26Å
306F95.3Very high96.3Very high46 Ų4659 Ų5920%0.20232%0.315CS..Hα-helixtrans-55.9-41.5-179.8173.2-104.9000113.1L18 F100 P101 L152 W302 F303 R308L18-F306 HydrophobicContact CD1-CE1 4.46Å; F100-F306 HydrophobicContact CD2-CE2 4.35Å; F100-F306 HydrophobicContact CE2-CD2 4.11Å; F100-F306 AromaticContact CE2-CE2 3.62Å; F100-F306 HydrophobicContact CE2-CE2 3.62Å; F100-F306 AromaticContact CZ-CD2 3.94Å; F100-F306 HydrophobicContact CZ-CD2 3.94Å; F100-F306 AromaticContact CZ-CE2 3.93Å; F100-F306 HydrophobicContact CZ-CE2 3.93Å; P101-F306 HydrophobicContact CG-CD2 4.15Å; P101-F306 HydrophobicContact CG-CE2 3.79Å; P101-F306 HydrophobicContact CG-CZ 4.41Å; L152-F306 HydrophobicContact CD1-CB 4.14Å; W302-F306 WeakPolarHBondContact O-CB 3.48Å; W302-F306 PolarHBondContact O-N 3.15Å; F303-F306 WeakPolarHBondContact O-CB 3.26Å; F303-F306 PolarHBondContact O-N 2.88Å; F306-R308 PolarHBondContact O-N 3.28Å
307K94.8Very high96Very high106 Ų10668 Ų6846%0.46135%0.354SS..Hα-helixtrans-74.7-10.1177-69.8-64.1-176.1-178.90114.3F303 I305 D309F303-K307 HydrophobicContact CD1-CG 4.08Å; F303-K307 HydrophobicContact CE1-CD 4.5Å; F303-K307 HydrophobicContact CE1-CG 3.74Å; F303-K307 HydrophobicContact CZ-CD 4.38Å; F303-K307 VanDerWaalsContact CZ-CE 3.45Å; F303-K307 HydrophobicContact CZ-CG 4.03Å; F303-K307 WeakPolarHBondContact O-CG 3.29Å; F303-K307 PolarHBondContact O-N 3.4Å; I305-K307 VanDerWaalsContact C-N 3.29Å; I305-K307 PolarHBondContact O-N 3.34Å; K307-D309 VanDerWaalsContact C-N 3.35Å; K307-D309 WeakPolarHBondContact CB-OD2 3.49Å
308R96.7Very high95.7Very high66 Ų6669.8 Ų69.825%0.24937%0.366CS..THydrogen-bonded Turntrans65.535.9-176.3-55.5171.852.5125.75.2113.1F102 D175 Y179 S304 I305 F306F102-R308 HydrophobicContact CE1-CG 3.97Å; D175-R308 IonicContact OD1-NH2 3.41Å; D175-R308 PolarHBondContact OD1-NH2 3.3Å; D175-R308 IonicContact OD2-CZ 2.8Å; D175-R308 IonicContact OD2-NH1 2.68Å; D175-R308 PolarHBondContact OD2-NH1 3.08Å; D175-R308 IonicContact OD2-NH2 3.62Å; D175-R308 PolarHBondContact OD2-NH2 2.94Å; Y179-R308 HydrophobicContact CD1-CB 4.34Å; Y179-R308 HydrophobicContact CD1-CG 3.92Å; Y179-R308 HydrophobicContact CE1-CB 3.93Å; Y179-R308 HydrophobicContact CE1-CG 3.87Å; Y179-R308 HydrophobicContact CE2-CB 4.18Å; Y179-R308 HydrophobicContact CG-CG 4.36Å; Y179-R308 VanDerWaalsContact OH-C 3.28Å; Y179-R308 WeakPolarHBondContact OH-CA 3.4Å; S304-R308 PolarHBondContact O-N 2.77Å; S304-R308 VanDerWaalsContact O-N 3.1Å; I305-R308 WeakPolarHBondContact O-CA 3.46Å; I305-R308 PolarHBondContact O-N 2.68Å; F306-R308 PolarHBondContact O-N 3.28Å
309D95.7Very high95.4Very high117 Ų11771.2 Ų71.263%0.62637%0.371SS*.  trans-971.2-176.4-64.7-25000113.2S304 K307S304-D309 PolarHBondContact O-N 2.73Å; K307-D309 VanDerWaalsContact C-N 3.35Å; K307-D309 WeakPolarHBondContact CB-OD2 3.49Å
310I96.1Very high95.2Very high64 Ų6467.6 Ų67.633%0.32836%0.356SS..SBendtrans-94.1134.2176-57.7-61.3000109.7F145 Y179 I305 A312F145-I310 HydrophobicContact CD2-CG2 4.18Å; F145-I310 HydrophobicContact CE2-CB 4.21Å; F145-I310 HydrophobicContact CE2-CG2 3.99Å; Y179-I310 WeakPolarHBondContact CE2-O 3.45Å; Y179-I310 WeakPolarHBondContact OH-CA 3.3Å; Y179-I310 WeakPolarHBondContact OH-CB 3.38Å; Y179-I310 PolarHBondContact OH-N 3.41Å; Y179-I310 PolarHBondContact OH-O 3.18Å; I305-I310 HydrophobicContact CD1-CB 4.06Å; I305-I310 HydrophobicContact CD1-CG1 3.85Å; I305-I310 HydrophobicContact CD1-CG2 4.33Å; I305-I310 HydrophobicContact CG1-CG1 4.26Å; I310-A312 PolarHBondContact O-N 3.17Å
311E97.2Very high95Very high183 Ų18369.4 Ų69.486%0.85537%0.373SS*.PPolyproline II helixtrans-63.2126.7171.9-173.1178.2-178.500110.4
312A97.7Very high94.9Very high12 Ų1267.4 Ų67.410%0.09937%0.368CS..PPolyproline II helixtrans-72.6140.1-179.100000111.1F145 Y177 I310 F314F145-A312 HydrophobicContact CE1-CB 3.91Å; F145-A312 HydrophobicContact CZ-CB 3.84Å; Y177-A312 VanDerWaalsContact O-CB 3.26Å; Y177-A312 WeakPolarHBondContact O-CB 3.13Å; I310-A312 PolarHBondContact O-N 3.17Å; A312-F314 PolarHBondContact O-N 3.46Å; A312-F314 VanDerWaalsContact O-N 3.16Å
313P96.5Very high94.9Very high68 Ų6866.4 Ų66.444%0.44237%0.366SS..SBendtrans-66.1-17178.628.5-36.6000113.5H142 F145H142-P313 HydrophobicContact CB-CB 4.12Å; H142-P313 HydrophobicContact CB-CG 4.2Å; H142-P313 WeakPolarHBondContact CD2-CG 3.4Å; F145-P313 HydrophobicContact CB-CG 4.16Å; F145-P313 HydrophobicContact CD1-CG 3.77Å; F145-P313 HydrophobicContact CE1-CG 4.42Å; F145-P313 HydrophobicContact CG-CG 4.08Å
314F94.2Very high94.9Very high48 Ų4862.9 Ų62.921%0.21135%0.352CS..  trans-146.8128.8178.1167.7-101.6000108.9H131 I174 G178 A312 P316H131-F314 AromaticContact CD2-CE1 3.97Å; H131-F314 AromaticContact CE1-CE1 3.65Å; H131-F314 AromaticContact CE1-CZ 3.46Å; H131-F314 VanDerWaalsContact CE1-CZ 3.46Å; H131-F314 WeakPolarHBondContact CE1-CZ 3.5Å; H131-F314 AromaticContact CG-CE1 3.8Å; H131-F314 AromaticContact CG-CZ 3.99Å; H131-F314 AromaticContact ND1-CE1 3.61Å; H131-F314 AromaticContact ND1-CZ 3.33Å; H131-F314 VanDerWaalsContact ND1-CZ 3.33Å; H131-F314 WeakPolarHBondContact ND1-CZ 3.27Å; H131-F314 AromaticContact NE2-CE1 3.86Å; I174-F314 HydrophobicContact CD1-CD1 4.12Å; I174-F314 HydrophobicContact CD1-CE1 4.22Å; I174-F314 HydrophobicContact CG2-CD1 4.48Å; G178-F314 WeakPolarHBondContact CA-O 3.48Å; A312-F314 PolarHBondContact O-N 3.46Å; A312-F314 VanDerWaalsContact O-N 3.16Å; F314-P316 HydrophobicContact CE1-CB 3.95Å; F314-P316 HydrophobicContact CZ-CB 4.1Å
315T95.1Very high94.8Very high82 Ų8265.6 Ų65.650%0.50337%0.371SS..  trans-114.8122.2170.9-56.50000108.3Q176Q176-T315 WeakPolarHBondContact O-CG2 3.32Å
316P93.5Very high94.5Very high7 Ų766.8 Ų66.85%0.04538%0.377CS..  trans-66149179.226.7-31.8000110.8I174 D175 F314 C318I174-P316 HydrophobicContact CG2-CG 4.11Å; D175-P316 WeakPolarHBondContact O-CD 3.12Å; D175-P316 WeakPolarHBondContact O-CG 3.4Å; F314-P316 HydrophobicContact CE1-CB 3.95Å; F314-P316 HydrophobicContact CZ-CB 4.1Å; P316-C318 PolarHBondContact O-N 3.32Å
317K93.2Very high94.2Very high190 Ų19066 Ų6683%0.82637%0.374SS*.  trans-75.9117.5173.1-67.5-177179.9-179.80108.2N326K317-N326 PolarHBondContact O-ND2 3.03Å
318C92.4Very high93.9Very high41 Ų4166.2 Ų66.228%0.27738%0.38SS..  trans-133.5125.5175.6-590000108.5N124 P316 G320 D323N124-C318 VanDerWaalsContact CG-SG 3.59Å; P316-C318 PolarHBondContact O-N 3.32Å; C318-G320 VanDerWaalsContact C-N 3.34Å; C318-D323 WeakPolarHBondContact CA-OD2 3.27Å
319S92.4Very high93.7Very high112 Ų11269.7 Ų69.778%0.78340%0.404SS*.SBendtrans-81.4-12.6178.357.90000113.4D323S319-D323 WeakPolarHBondContact CB-OD2 3.4Å; S319-D323 PolarHBondContact N-OD2 3.42Å; S319-D323 PolarHBondContact OG-OD2 2.96Å
320G92.8Very high93.5Very high34 Ų3468 Ų6835%0.35139%0.389SS..SBendtrans174.8-179.9176.300000113.1N124 C318 G322 D323N124-G320 PolarHBondContact ND2-O 2.91Å; C318-G320 VanDerWaalsContact C-N 3.34Å; G320-G322 VanDerWaalsContact C-N 3.27Å; G320-G322 PolarHBondContact O-N 3.13Å; G320-D323 VanDerWaalsContact O-CB 3.26Å; G320-D323 WeakPolarHBondContact O-CB 3.42Å; G320-D323 PolarHBondContact O-N 3.32Å; G320-D323 VanDerWaalsContact O-N 3.15Å
321A92.9Very high93.4Very high60 Ų6072.5 Ų72.550%0.49641%0.409SS..THydrogen-bonded Turntrans-64.8-28.9-177.800000113.5Y68 F122Y68-A321 HydrophobicContact CD2-CB 3.96Å; Y68-A321 HydrophobicContact CE2-CB 4.36Å; F122-A321 WeakPolarHBondContact CD1-O 3.42Å; F122-A321 VanDerWaalsContact CE1-O 3.31Å; F122-A321 WeakPolarHBondContact CE1-O 3.38Å
322G94.6Very high93.2Very high24 Ų2468.1 Ų68.125%0.24739%0.388CS..THydrogen-bonded Turntrans-95.210.4176.100000114.4L59 G320 A324L59-G322 WeakPolarHBondContact CD2-O 3.34Å; G320-G322 VanDerWaalsContact C-N 3.27Å; G320-G322 PolarHBondContact O-N 3.13Å; G322-A324 PolarHBondContact O-N 3.31Å
323D95.5Very high92.7Very high21 Ų2173 Ų7311%0.11241%0.409CS..  trans-71.6117.8-177.9-173.4-2.3000111.3F122 N124 C318 S319 G320 S325F122-D323 WeakPolarHBondContact CZ-O 3.44Å; N124-D323 WeakPolarHBondContact CB-O 3.31Å; C318-D323 WeakPolarHBondContact CA-OD2 3.27Å; S319-D323 WeakPolarHBondContact CB-OD2 3.4Å; S319-D323 PolarHBondContact N-OD2 3.42Å; S319-D323 PolarHBondContact OG-OD2 2.96Å; G320-D323 VanDerWaalsContact O-CB 3.26Å; G320-D323 WeakPolarHBondContact O-CB 3.42Å; G320-D323 PolarHBondContact O-N 3.32Å; G320-D323 VanDerWaalsContact O-N 3.15Å; D323-S325 VanDerWaalsContact CG-OG 3.26Å; D323-S325 WeakPolarHBondContact OD1-CB 2.96Å; D323-S325 PolarHBondContact OD1-N 2.96Å; D323-S325 PolarHBondContact OD1-OG 3.09Å; D323-S325 PolarHBondContact OD2-OG 2.71Å
324A93.9Very high92.4Very high9 Ų974.8 Ų74.87%0.07442%0.42CS..  trans-110.320.8176.700000113.1K47 L49 L59 F122 G322 N326 F327K47-A324 HydrophobicContact CD-CB 4.06Å; L49-A324 HydrophobicContact CD2-CB 3.75Å; L59-A324 HydrophobicContact CD2-CB 4.17Å; F122-A324 HydrophobicContact CZ-CB 4.39Å; G322-A324 PolarHBondContact O-N 3.31Å; A324-N326 PolarHBondContact O-N 3.16Å; A324-F327 HydrophobicContact CB-CD2 4.34Å; A324-F327 PolarHBondContact O-N 3.05Å; A324-F327 VanDerWaalsContact O-N 3.14Å
325S93.3Very high92.3Very high82 Ų8274.4 Ų74.457%0.57342%0.421SS*.THydrogen-bonded Turntrans-69.7-17.9-18059.70000114.4D323D323-S325 VanDerWaalsContact CG-OG 3.26Å; D323-S325 WeakPolarHBondContact OD1-CB 2.96Å; D323-S325 PolarHBondContact OD1-N 2.96Å; D323-S325 PolarHBondContact OD1-OG 3.09Å; D323-S325 PolarHBondContact OD2-OG 2.71Å
326N92Very high92.2Very high31 Ų3180.4 Ų80.417%0.16643%0.434CS..THydrogen-bonded Turntrans-84.24.8171.8-63.9-63.3000113.1N124 K317 A324N124-N326 PolarHBondContact O-ND2 3.42Å; K317-N326 PolarHBondContact O-ND2 3.03Å; A324-N326 PolarHBondContact O-N 3.16Å
327F88.6Confident92.3Very high29 Ų2984 Ų8413%0.12745%0.452CS..SBendtrans-115.8147.6176.7-64.7-94.6000110.5L49 F122 V123 A324L49-F327 HydrophobicContact CB-CD1 4.15Å; L49-F327 HydrophobicContact CD2-CB 4.15Å; L49-F327 HydrophobicContact CD2-CD1 4.2Å; L49-F327 HydrophobicContact CD2-CD2 3.94Å; L49-F327 HydrophobicContact CD2-CE2 4.39Å; L49-F327 HydrophobicContact CD2-CG 3.83Å; F122-F327 HydrophobicContact CE2-CD2 4.39Å; F122-F327 AromaticContact CE2-CE2 3.63Å; F122-F327 HydrophobicContact CE2-CE2 3.63Å; F122-F327 AromaticContact CE2-CZ 3.97Å; F122-F327 HydrophobicContact CE2-CZ 3.97Å; F122-F327 AromaticContact CZ-CE2 3.93Å; F122-F327 HydrophobicContact CZ-CE2 3.93Å; V123-F327 VanDerWaalsContact O-CZ 3.29Å; V123-F327 WeakPolarHBondContact O-CZ 3.45Å; A324-F327 HydrophobicContact CB-CD2 4.34Å; A324-F327 PolarHBondContact O-N 3.05Å; A324-F327 VanDerWaalsContact O-N 3.14Å
328D88.5Confident92.4Very high111 Ų11176.3 Ų76.359%0.59442%0.424SS*.  trans-66.5160.7177-65.7-29000112Y330D328-Y330 HydrophobicContact CB-CE2 3.86Å; D328-Y330 WeakPolarHBondContact O-CD2 3.39Å
329D91.4Very high92.6Very high139 Ų13981 Ų8174%0.74345%0.451SS*.  trans-88.8128.3174.6-68.1-41.6000110.4K47K47-D329 WeakPolarHBondContact CE-OD1 3.18Å; K47-D329 IonicContact NZ-OD1 2.74Å; K47-D329 PolarHBondContact NZ-OD1 3.13Å
330Y92.8Very high92.8Very high81 Ų8179.3 Ų79.332%0.31844%0.436SS..  trans-120.4155.4178-65-89.8000110.6T48 L49 T51 D328 E332T48-Y330 HydrophobicContact CG2-CD2 4.48Å; T48-Y330 HydrophobicContact CG2-CG 4.25Å; L49-Y330 VanDerWaalsContact O-CE2 3.32Å; L49-Y330 WeakPolarHBondContact O-CE2 3.39Å; T51-Y330 HydrophobicContact CG2-CD1 3.94Å; T51-Y330 HydrophobicContact CG2-CG 4.33Å; D328-Y330 HydrophobicContact CB-CE2 3.86Å; D328-Y330 WeakPolarHBondContact O-CD2 3.39Å; Y330-E332 PolarHBondContact O-N 2.78Å
331E92.4Very high93Very high159 Ų15983 Ų8374%0.74345%0.445SS*.  trans-64.3129.9173.8-171.4177.2175.900111.3R56 E333R56-E331 PolarHBondContact NH2-O 3.25Å; E331-E333 PolarHBondContact O-N 3.34Å
332E92.7Very high93.3Very high90 Ų9083 Ų8342%0.42143%0.433SS..  trans-81.3115177-64.5-59.4164.900110.7K47 T48 R56 Y330K47-E332 WeakPolarHBondContact CA-OE1 3.1Å; T48-E332 PolarHBondContact N-OE1 3.32Å; T48-E332 PolarHBondContact OG1-OE1 3.1Å; T48-E332 PolarHBondContact OG1-OE2 2.8Å; R56-E332 IonicContact NH1-OE2 2.94Å; Y330-E332 PolarHBondContact O-N 2.78Å
333E88.6Confident93.4Very high116 Ų11683.1 Ų83.154%0.54243%0.43SS..  trans-104.1140.5177.5-65.6-177.1154.800110.7R56 E331 L335R56-E333 VanDerWaalsContact NH1-N 3.15Å; R56-E333 IonicContact NH2-OE2 3.05Å; E331-E333 PolarHBondContact O-N 3.34Å; E333-L335 PolarHBondContact O-N 3.46Å
334P90.1Very high93.4Very high104 Ų10484 Ų8468%0.67544%0.44SS*.  trans-66.9129.3174.927-32.9000110.8R336P334-R336 PolarHBondContact O-N 2.83Å
335L92.1Very high93.6Very high41 Ų4192.2 Ų92.222%0.21547%0.474CS..  trans-73.1114.4174.6-176.461.7000110.3L40 I73 Y117 E333L40-L335 HydrophobicContact CD1-CD2 4.1Å; L40-L335 HydrophobicContact CD2-CD2 3.64Å; I73-L335 HydrophobicContact CD1-CD1 4.47Å; I73-L335 HydrophobicContact CD1-CD2 4.19Å; I73-L335 HydrophobicContact CG2-CD1 3.76Å; Y117-L335 HydrophobicContact CE1-CD2 4.12Å; E333-L335 PolarHBondContact O-N 3.46Å
336R91.7Very high93.8Very high207 Ų20792.2 Ų92.278%0.78147%0.465SS*.  trans-97.2133.1179.1-62.8-174.6-177.4-173.21110.9N115 P334N115-R336 PolarHBondContact ND2-O 2.86Å; P334-R336 PolarHBondContact O-N 2.83Å
337I96.2Very high94Very high83 Ų8390.8 Ų90.843%0.42646%0.458SS..  trans-121.2121.1176-53.9171.5000107.7L40 D112 N113L40-I337 HydrophobicContact CD2-CD1 3.68Å; D112-I337 HydrophobicContact CB-CG2 4.33Å; D112-I337 WeakPolarHBondContact OD2-CD1 3.5Å; D112-I337 VanDerWaalsContact OD2-CG1 3.26Å; D112-I337 WeakPolarHBondContact OD2-CG1 3.28Å; N113-I337 HydrophobicContact CB-CG2 4.12Å
338A96.3Very high94.3Very high28 Ų2892.8 Ų92.823%0.23148%0.475CS..  trans-68.6153-18000000111.2N113 S114 T340 K342N113-A338 WeakPolarHBondContact CB-O 3.38Å; N113-A338 PolarHBondContact ND2-O 3.01Å; S114-A338 WeakPolarHBondContact OG-CB 3.42Å; S114-A338 PolarHBondContact OG-N 2.81Å; A338-T340 PolarHBondContact O-N 3.44Å; A338-K342 HydrophobicContact CB-CG 4.4Å
339T96.5Very high94.6Very high140 Ų14093.6 Ų93.686%0.85948%0.475SS*.SBendtrans-73.2-16.4172.752.90000113.2
340T96.5Very high94.7Very high77 Ų7787 Ų8747%0.47244%0.44SS..SBendtrans-120.6138.8-178.944.40000110.2A338 K342A338-T340 PolarHBondContact O-N 3.44Å; T340-K342 WeakPolarHBondContact O-CE 3.21Å; T340-K342 PolarHBondContact O-N 3.49Å; T340-K342 WeakPolarHBondContact OG1-CE 3.38Å; T340-K342 PolarHBondContact OG1-NZ 3Å
341E97.3Very high94.8Very high111 Ų11187.3 Ų87.352%0.51945%0.446SS..  trans-64.1127.1-179.7-166.7177.5-162.200111.3A344E341-A344 VanDerWaalsContact CD-CB 3.41Å; E341-A344 HydrophobicContact CG-CB 3.9Å; E341-A344 WeakPolarHBondContact OE2-CB 3.5Å
342K97.6Very high94.9Very high59 Ų5983.5 Ų83.526%0.25743%0.43SS..  trans-101.6139.9176.1-52.6-57.1171.9-169.10110K76 Q77 N113 A338 T340 A344K76-K342 WeakPolarHBondContact CD-O 3.32Å; K76-K342 PolarHBondContact NZ-O 2.83Å; Q77-K342 HydrophobicContact CG-CB 4.05Å; Q77-K342 HydrophobicContact CG-CG 4.31Å; N113-K342 VanDerWaalsContact O-CB 3.31Å; N113-K342 WeakPolarHBondContact O-CB 3.18Å; N113-K342 WeakPolarHBondContact O-CG 3.27Å; N113-K342 PolarHBondContact O-N 2.82Å; A338-K342 HydrophobicContact CB-CG 4.4Å; T340-K342 WeakPolarHBondContact O-CE 3.21Å; T340-K342 PolarHBondContact O-N 3.49Å; T340-K342 WeakPolarHBondContact OG1-CE 3.38Å; T340-K342 PolarHBondContact OG1-NZ 3Å; K342-A344 PolarHBondContact O-N 2.66Å; K342-A344 VanDerWaalsContact O-N 3.15Å
343C97Very high95.1Very high27 Ų2783.2 Ų83.218%0.18243%0.431CS..SBendtrans52.537.3171-50.80000114K76 V80 K345 E346 F347K76-C343 HydrophobicContact CB-CB 4.08Å; K76-C343 HydrophobicContact CD-CB 4.41Å; V80-C343 HydrophobicContact CG2-CB 4.05Å; C343-K345 VanDerWaalsContact C-N 3.29Å; C343-K345 PolarHBondContact O-N 3.41Å; C343-E346 WeakPolarHBondContact CA-OE2 3.16Å; C343-E346 HydrophobicContact CB-CB 4.37Å; C343-E346 PolarHBondContact O-N 2.82Å; C343-F347 HydrophobicContact CB-CD2 3.74Å; C343-F347 HydrophobicContact CB-CE2 3.75Å; C343-F347 WeakPolarHBondContact O-CD2 3.39Å; C343-F347 PolarHBondContact O-N 3.46Å
344A95.9Very high95.5Very high39 Ų3981.2 Ų81.232%0.32242%0.424SS..THydrogen-bonded Turntrans-59.2-40.2-175.400000112.3E341 K342 S348E341-A344 VanDerWaalsContact CD-CB 3.41Å; E341-A344 HydrophobicContact CG-CB 3.9Å; E341-A344 WeakPolarHBondContact OE2-CB 3.5Å; K342-A344 PolarHBondContact O-N 2.66Å; K342-A344 VanDerWaalsContact O-N 3.15Å; A344-S348 WeakPolarHBondContact O-CA 3.05Å; A344-S348 PolarHBondContact O-N 3.31Å
345K97Very high95.8Very high182 Ų18279.8 Ų79.879%0.79141%0.409SS*.THydrogen-bonded Turntrans-66.4-46.4-178.7-174.3179.2178.9-178.50111.1C343 F347 S348C343-K345 VanDerWaalsContact C-N 3.29Å; C343-K345 PolarHBondContact O-N 3.41Å; K345-F347 VanDerWaalsContact C-N 3.29Å; K345-F347 PolarHBondContact O-N 3.48Å; K345-S348 PolarHBondContact O-N 3.24Å; K345-S348 PolarHBondContact O-OG 2.99Å
346E97.7Very high96Very high83 Ų8382.4 Ų82.439%0.38842%0.422SS..THydrogen-bonded Turntrans-63.8-34.1-177.5-65.585.4166.700112.4V80 V85 C343V80-E346 HydrophobicContact CG2-CB 4.2Å; V80-E346 HydrophobicContact CG2-CG 4.06Å; V85-E346 HydrophobicContact CG1-CB 4.24Å; C343-E346 WeakPolarHBondContact CA-OE2 3.16Å; C343-E346 HydrophobicContact CB-CB 4.37Å; C343-E346 PolarHBondContact O-N 2.82Å
347F96.8Very high96.3Very high1 Ų173.5 Ų73.50%0.00440%0.396CS..THydrogen-bonded Turntrans-113.324.3-177.7-58-68.4000113.5K76 V79 V80 V85 L89 K111 L116 C343 K345 E349 F350K76-F347 HydrophobicContact CB-CD2 4.01Å; K76-F347 HydrophobicContact CB-CE2 3.67Å; K76-F347 HydrophobicContact CD-CD2 3.91Å; K76-F347 HydrophobicContact CD-CE2 4.42Å; K76-F347 HydrophobicContact CG-CD2 3.76Å; K76-F347 HydrophobicContact CG-CE2 3.86Å; V79-F347 HydrophobicContact CB-CZ 3.88Å; V79-F347 HydrophobicContact CG1-CE1 3.86Å; V79-F347 HydrophobicContact CG1-CZ 3.52Å; V80-F347 HydrophobicContact CG2-CE2 3.73Å; V80-F347 HydrophobicContact CG2-CZ 3.96Å; V85-F347 HydrophobicContact CB-CE1 4.35Å; V85-F347 HydrophobicContact CG1-CD1 4.4Å; V85-F347 HydrophobicContact CG1-CE1 3.94Å; V85-F347 HydrophobicContact CG1-CZ 4.42Å; V85-F347 HydrophobicContact CG2-CE1 4.25Å; V85-F347 HydrophobicContact CG2-CZ 3.98Å; L89-F347 HydrophobicContact CD2-CD1 4.36Å; K111-F347 PolarHBondContact NZ-O 3.08Å; L116-F347 HydrophobicContact CD1-CD1 3.52Å; L116-F347 HydrophobicContact CD1-CD2 4.4Å; L116-F347 HydrophobicContact CD1-CE1 3.53Å; L116-F347 HydrophobicContact CD1-CE2 4.4Å; L116-F347 HydrophobicContact CD1-CG 3.98Å; L116-F347 HydrophobicContact CD1-CZ 3.99Å; L116-F347 HydrophobicContact CD2-CB 3.95Å; L116-F347 HydrophobicContact CD2-CD1 4.23Å; L116-F347 HydrophobicContact CD2-CD2 4.4Å; L116-F347 HydrophobicContact CD2-CG 3.94Å; L116-F347 HydrophobicContact CG-CD1 4.48Å; C343-F347 HydrophobicContact CB-CD2 3.74Å; C343-F347 HydrophobicContact CB-CE2 3.75Å; C343-F347 WeakPolarHBondContact O-CD2 3.39Å; C343-F347 PolarHBondContact O-N 3.46Å; K345-F347 VanDerWaalsContact C-N 3.29Å; K345-F347 PolarHBondContact O-N 3.48Å; F347-E349 PolarHBondContact O-N 2.85Å; F347-F350 HydrophobicContact CB-CB 4.13Å; F347-F350 WeakPolarHBondContact O-CB 3.45Å; F347-F350 PolarHBondContact O-N 3.26Å; F347-F350 VanDerWaalsContact O-N 3.14Å
348S95.6Very high96.4Very high70 Ų7072.8 Ų72.849%0.4939%0.394SS..THydrogen-bonded Turntrans-56.8-38.717950.20000112.3K111 A344 K345K111-S348 PolarHBondContact NZ-O 3.31Å; A344-S348 WeakPolarHBondContact O-CA 3.05Å; A344-S348 PolarHBondContact O-N 3.31Å; K345-S348 PolarHBondContact O-N 3.24Å; K345-S348 PolarHBondContact O-OG 2.99Å
349E93.4Very high96.4Very high128 Ų12876.5 Ų76.560%0.59841%0.407SS*.THydrogen-bonded Turntrans-84.1-6.3179.6-61.2-170.2167.500115.3F347F347-E349 PolarHBondContact O-N 2.85Å
350F95.1Very high96.3Very high1 Ų170.7 Ų70.70%0.00437%0.366CS..  trans-62.80179.9-170.7-81.8000112.1T88 L89 K92 H109 F110 K111 L116 M118 F347T88-F350 HydrophobicContact CG2-CD2 4.23Å; T88-F350 HydrophobicContact CG2-CE2 3.84Å; L89-F350 HydrophobicContact CD2-CB 3.88Å; L89-F350 HydrophobicContact CD2-CD2 4.21Å; K92-F350 HydrophobicContact CB-CD2 4.33Å; K92-F350 HydrophobicContact CB-CE2 3.86Å; K92-F350 HydrophobicContact CB-CZ 4.29Å; K92-F350 HydrophobicContact CD-CD1 4.48Å; K92-F350 HydrophobicContact CD-CD2 4.46Å; K92-F350 HydrophobicContact CD-CE1 4.44Å; K92-F350 HydrophobicContact CD-CE2 4.42Å; K92-F350 HydrophobicContact CD-CG 4.49Å; K92-F350 HydrophobicContact CD-CZ 4.4Å; K92-F350 WeakPolarHBondContact CD-OXT 3.29Å; K92-F350 HydrophobicContact CG-CD2 4.39Å; K92-F350 HydrophobicContact CG-CE1 4.33Å; K92-F350 HydrophobicContact CG-CE2 3.9Å; K92-F350 HydrophobicContact CG-CZ 3.87Å; K92-F350 PolarHBondContact NZ-OXT 3.11Å; H109-F350 HydrophobicContact CB-CE1 4.49Å; F110-F350 WeakPolarHBondContact O-CE1 3.3Å; K111-F350 HydrophobicContact CB-CD1 4.32Å; K111-F350 HydrophobicContact CD-CB 4.12Å; K111-F350 HydrophobicContact CD-CD1 4.37Å; K111-F350 PolarHBondContact NZ-O 3.48Å; L116-F350 HydrophobicContact CB-CD1 4.41Å; L116-F350 HydrophobicContact CB-CD2 4.3Å; L116-F350 HydrophobicContact CB-CE1 3.93Å; L116-F350 HydrophobicContact CB-CE2 3.82Å; L116-F350 HydrophobicContact CB-CZ 3.61Å; L116-F350 HydrophobicContact CD1-CD2 3.87Å; L116-F350 HydrophobicContact CD1-CE2 3.92Å; L116-F350 HydrophobicContact CD1-CG 4.47Å; L116-F350 HydrophobicContact CD2-CB 4.25Å; L116-F350 HydrophobicContact CD2-CD1 3.94Å; L116-F350 HydrophobicContact CD2-CD2 4.04Å; L116-F350 HydrophobicContact CD2-CE1 4.31Å; L116-F350 HydrophobicContact CD2-CE2 4.4Å; L116-F350 HydrophobicContact CD2-CG 3.79Å; L116-F350 HydrophobicContact CG-CD2 4.28Å; L116-F350 HydrophobicContact CG-CE2 4.25Å; L116-F350 HydrophobicContact CG-CZ 4.44Å; M118-F350 HydrophobicContact CG-CZ 3.92Å; F347-F350 HydrophobicContact CB-CB 4.13Å; F347-F350 WeakPolarHBondContact O-CB 3.45Å; F347-F350 PolarHBondContact O-N 3.26Å; F347-F350 VanDerWaalsContact O-N 3.14Å

Retrieved 350 of 350 residues in 74.6 ms (Link to these results)

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