A0A061IIX2_CRIGR Loading...

Antiviral innate immune response receptor RIG-I

AlphaFold DB , UniProt , Accession A0A061IIX2, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Rigi, Length 926 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
1M65.5Low81.8Confident57 Ų5775.6 Ų75.628%0.28141%0.409SS..  0141.70-179.9-167.355.700108.7Q5 R6 D67 W69 F70M1-Q5 HydrophobicContact CG-CB 3.52Å; M1-Q5 HydrophobicContact CG-CG 4.41Å; M1-Q5 VanDerWaalsContact CG-OE1 3.27Å; M1-Q5 HydrophobicContact SD-CB 4.11Å; M1-R6 HydrophobicContact CE-CB 3.61Å; M1-R6 HydrophobicContact CE-CG 3.89Å; M1-R6 HydrophobicContact SD-CB 4.18Å; M1-D67 PolarHBondContact N-OD1 2.8Å; M1-W69 HydrophobicContact CE-CH2 4.25Å; M1-W69 HydrophobicContact CE-CZ2 3.43Å; M1-W69 VanDerWaalsContact CE-CZ2 3.43Å; M1-W69 HydrophobicContact SD-CH2 3.63Å; M1-W69 HydrophobicContact SD-CZ2 3.34Å; M1-W69 WeakPolarHBondContact SD-CZ2 3.41Å; M1-F70 HydrophobicContact CB-CB 4.03Å; M1-F70 HydrophobicContact CG-CB 4Å; M1-F70 HydrophobicContact CG-CD2 4.18Å; M1-F70 HydrophobicContact CG-CG 4.09Å; M1-F70 HydrophobicContact SD-CB 4.29Å; M1-F70 HydrophobicContact SD-CD2 3.87Å; M1-F70 HydrophobicContact SD-CG 4.32Å
2T76.4Confident82.4Confident70 Ų7074.7 Ų74.743%0.42940%0.398SS..  trans-77.5160.7175.968.40000112.2E4 Q5 R6T2-E4 PolarHBondContact O-N 3.01Å; T2-Q5 PolarHBondContact O-N 2.9Å; T2-Q5 WeakPolarHBondContact OG1-CG 3.45Å; T2-Q5 PolarHBondContact OG1-N 3.43Å; T2-Q5 VanDerWaalsContact OG1-N 3.08Å; T2-R6 PolarHBondContact O-N 3.08Å
3A77.2Confident83Confident83 Ų8377.7 Ų77.769%0.68640%0.401SS*.Hα-helixtrans-62.3-34.4173.200000112.1R6 Q7A3-R6 WeakPolarHBondContact O-CB 3.33Å; A3-R6 PolarHBondContact O-N 3.4Å; A3-Q7 PolarHBondContact O-N 3.32Å
4E79.9Confident83.4Confident134 Ų13475.9 Ų75.963%0.62639%0.392SS*.Hα-helixtrans-62.6-47.5174.8-179.6176.9-153.400112.3T2 R6 Q7 N8T2-E4 PolarHBondContact O-N 3.01Å; E4-R6 VanDerWaalsContact C-N 3.27Å; E4-R6 PolarHBondContact O-N 3.08Å; E4-Q7 PolarHBondContact O-N 3.08Å; E4-Q7 VanDerWaalsContact O-N 3.1Å; E4-N8 WeakPolarHBondContact O-CB 3.44Å; E4-N8 VanDerWaalsContact O-CG 3.3Å; E4-N8 PolarHBondContact O-N 3.16Å; E4-N8 PolarHBondContact O-OD1 3.09Å
5Q82.8Confident83.8Confident55 Ų5574.5 Ų74.526%0.25738%0.381SS..Hα-helixtrans-57.2-39.2173.7-77170.9-3300112.1M1 T2 L9 F70 W92M1-Q5 HydrophobicContact CG-CB 3.52Å; M1-Q5 HydrophobicContact CG-CG 4.41Å; M1-Q5 VanDerWaalsContact CG-OE1 3.27Å; M1-Q5 HydrophobicContact SD-CB 4.11Å; T2-Q5 PolarHBondContact O-N 2.9Å; T2-Q5 WeakPolarHBondContact OG1-CG 3.45Å; T2-Q5 PolarHBondContact OG1-N 3.43Å; T2-Q5 VanDerWaalsContact OG1-N 3.08Å; Q5-L9 WeakPolarHBondContact O-CB 3.42Å; Q5-L9 PolarHBondContact O-N 2.71Å; Q5-F70 HydrophobicContact CB-CE2 4.41Å; Q5-F70 HydrophobicContact CB-CZ 4.45Å; Q5-F70 HydrophobicContact CG-CE1 4.32Å; Q5-F70 HydrophobicContact CG-CZ 4.35Å; Q5-W92 HydrophobicContact CB-CZ2 4.35Å; Q5-W92 HydrophobicContact CG-CZ2 4.29Å
6R84Confident84.3Confident89 Ų8969.9 Ų69.934%0.33636%0.357SS..Hα-helixtrans-65-42.4175.3-164.1180-119.9123.15.6112.1M1 T2 A3 E4 Q10 L62 L64M1-R6 HydrophobicContact CE-CB 3.61Å; M1-R6 HydrophobicContact CE-CG 3.89Å; M1-R6 HydrophobicContact SD-CB 4.18Å; T2-R6 PolarHBondContact O-N 3.08Å; A3-R6 WeakPolarHBondContact O-CB 3.33Å; A3-R6 PolarHBondContact O-N 3.4Å; E4-R6 VanDerWaalsContact C-N 3.27Å; E4-R6 PolarHBondContact O-N 3.08Å; R6-Q10 WeakPolarHBondContact O-CB 3.46Å; R6-Q10 PolarHBondContact O-N 3.07Å; R6-Q10 VanDerWaalsContact O-N 3.13Å; R6-L62 HydrophobicContact CG-CD2 3.8Å; R6-L62 VanDerWaalsContact CZ-O 3.24Å; R6-L62 PolarHBondContact NE-O 3.35Å; R6-L62 PolarHBondContact NH2-O 3.48Å; R6-L64 PolarHBondContact NH2-O 3.18Å
7Q84.6Confident84.8Confident143 Ų14370.2 Ų70.267%0.66835%0.352SS*.Hα-helixtrans-68.1-41.8179.3-177.1171.2-16.700111.7A3 E4 Q10 A11A3-Q7 PolarHBondContact O-N 3.32Å; E4-Q7 PolarHBondContact O-N 3.08Å; E4-Q7 VanDerWaalsContact O-N 3.1Å; Q7-Q10 PolarHBondContact O-N 3.21Å; Q7-A11 WeakPolarHBondContact O-CB 3.12Å; Q7-A11 PolarHBondContact O-N 3.32Å
8N87.6Confident85.1Confident40 Ų4070 Ų7021%0.21435%0.349CS..Hα-helixtrans-67.8-43.3177.6-65.7-2.1000111.3E4 Q10 A11 F12 W92E4-N8 WeakPolarHBondContact O-CB 3.44Å; E4-N8 VanDerWaalsContact O-CG 3.3Å; E4-N8 PolarHBondContact O-N 3.16Å; E4-N8 PolarHBondContact O-OD1 3.09Å; N8-Q10 VanDerWaalsContact C-N 3.26Å; N8-Q10 PolarHBondContact O-N 3.48Å; N8-A11 PolarHBondContact O-N 3.33Å; N8-A11 VanDerWaalsContact O-N 3.07Å; N8-F12 HydrophobicContact CB-CD2 4.44Å; N8-F12 VanDerWaalsContact O-CD2 3.26Å; N8-F12 WeakPolarHBondContact O-CD2 3.4Å; N8-F12 PolarHBondContact O-N 2.96Å; N8-W92 HydrophobicContact CB-CD2 3.66Å; N8-W92 HydrophobicContact CB-CE3 3.58Å; N8-W92 HydrophobicContact CB-CG 4.45Å; N8-W92 HydrophobicContact CB-CH2 3.68Å; N8-W92 HydrophobicContact CB-CZ2 3.75Å; N8-W92 HydrophobicContact CB-CZ3 3.6Å
9L88.6Confident85.4Confident1 Ų166.3 Ų66.31%0.00533%0.331CS..Hα-helixtrans-60.9-36.5175.4-171.161.8000112Q5 R13 V16 L58 L62 W69 F70 F73 W92Q5-L9 WeakPolarHBondContact O-CB 3.42Å; Q5-L9 PolarHBondContact O-N 2.71Å; L9-R13 WeakPolarHBondContact O-CA 3.47Å; L9-R13 WeakPolarHBondContact O-CB 3.45Å; L9-R13 PolarHBondContact O-N 3.49Å; L9-V16 HydrophobicContact CD1-CG2 4.36Å; L9-L58 HydrophobicContact CD1-CD2 4.25Å; L9-L58 HydrophobicContact CD2-CD2 4.4Å; L9-L58 HydrophobicContact CG-CD2 4.31Å; L9-L62 HydrophobicContact CB-CD2 4.33Å; L9-L62 HydrophobicContact CD2-CD2 4.06Å; L9-L62 HydrophobicContact CG-CD2 4.36Å; L9-W69 HydrophobicContact CD2-CH2 3.97Å; L9-W69 HydrophobicContact CD2-CZ3 4.28Å; L9-F70 HydrophobicContact CD2-CE2 4.5Å; L9-F73 HydrophobicContact CD1-CE1 4.2Å; L9-W92 HydrophobicContact CB-CH2 3.98Å; L9-W92 HydrophobicContact CB-CZ3 4.37Å
10Q87.3Confident85.8Confident91 Ų9163 Ų6343%0.42531%0.314SS..Hα-helixtrans-71-33.2174.1-178.670.9-33.900112.8R6 Q7 N8 R13R6-Q10 WeakPolarHBondContact O-CB 3.46Å; R6-Q10 PolarHBondContact O-N 3.07Å; R6-Q10 VanDerWaalsContact O-N 3.13Å; Q7-Q10 PolarHBondContact O-N 3.21Å; N8-Q10 VanDerWaalsContact C-N 3.26Å; N8-Q10 PolarHBondContact O-N 3.48Å; Q10-R13 VanDerWaalsContact O-CD 3.28Å; Q10-R13 WeakPolarHBondContact O-CD 3.31Å; Q10-R13 VanDerWaalsContact O-CG 3.3Å; Q10-R13 WeakPolarHBondContact O-CG 3.48Å
11A85.9Confident86.1Confident69 Ų6960 Ų6057%0.5730%0.299SS*.Hα-helixtrans-72-43.4176.800000112.4Q7 N8Q7-A11 WeakPolarHBondContact O-CB 3.12Å; Q7-A11 PolarHBondContact O-N 3.32Å; N8-A11 PolarHBondContact O-N 3.33Å; N8-A11 VanDerWaalsContact O-N 3.07Å
12F89.5Confident87.4Confident64 Ų6457.3 Ų57.328%0.28129%0.286SS..SBendtrans-92.68.6-178.9-61.5-69.8000114.1N8 D14 Y15 W92 F94N8-F12 HydrophobicContact CB-CD2 4.44Å; N8-F12 VanDerWaalsContact O-CD2 3.26Å; N8-F12 WeakPolarHBondContact O-CD2 3.4Å; N8-F12 PolarHBondContact O-N 2.96Å; F12-D14 PolarHBondContact O-N 3.06Å; F12-Y15 HydrophobicContact CB-CD2 4.2Å; F12-Y15 HydrophobicContact CD1-CD2 4.07Å; F12-Y15 AromaticContact CD1-CE2 3.96Å; F12-Y15 HydrophobicContact CD1-CE2 3.96Å; F12-Y15 PolarHBondContact O-N 2.81Å; F12-W92 AromaticContact CD2-CE3 3.75Å; F12-W92 HydrophobicContact CD2-CE3 3.75Å; F12-W92 HydrophobicContact CD2-CZ3 4.28Å; F12-W92 HydrophobicContact CE2-CB 4.48Å; F12-W92 HydrophobicContact CE2-CE3 4.28Å; F12-F94 HydrophobicContact CB-CD2 4.02Å; F12-F94 HydrophobicContact CB-CE1 4.42Å; F12-F94 HydrophobicContact CB-CE2 3.46Å; F12-F94 VanDerWaalsContact CB-CE2 3.46Å; F12-F94 HydrophobicContact CB-CZ 3.7Å; F12-F94 AromaticContact CD1-CD2 3.56Å; F12-F94 HydrophobicContact CD1-CD2 3.56Å; F12-F94 AromaticContact CD1-CE2 3.81Å; F12-F94 HydrophobicContact CD1-CE2 3.81Å; F12-F94 HydrophobicContact CD1-CG 4.34Å; F12-F94 HydrophobicContact CD2-CD2 4.31Å; F12-F94 AromaticContact CD2-CE2 3.82Å; F12-F94 HydrophobicContact CD2-CE2 3.82Å; F12-F94 HydrophobicContact CE1-CD2 4.06Å; F12-F94 AromaticContact CG-CD2 3.7Å; F12-F94 HydrophobicContact CG-CD2 3.7Å; F12-F94 AromaticContact CG-CE2 3.41Å; F12-F94 HydrophobicContact CG-CE2 3.41Å; F12-F94 VanDerWaalsContact CG-CE2 3.41Å; F12-F94 HydrophobicContact CG-CZ 4.18Å
13R89.4Confident88Confident114 Ų11455.5 Ų55.543%0.4328%0.275SS..Hα-helixtrans-50-32.7-177.370.5-176.2-173.8175.53.7114.2L9 Q10 Y15 V16 R17 L58L9-R13 WeakPolarHBondContact O-CA 3.47Å; L9-R13 WeakPolarHBondContact O-CB 3.45Å; L9-R13 PolarHBondContact O-N 3.49Å; Q10-R13 VanDerWaalsContact O-CD 3.28Å; Q10-R13 WeakPolarHBondContact O-CD 3.31Å; Q10-R13 VanDerWaalsContact O-CG 3.3Å; Q10-R13 WeakPolarHBondContact O-CG 3.48Å; R13-Y15 VanDerWaalsContact C-N 3.33Å; R13-Y15 PolarHBondContact O-N 3.19Å; R13-V16 PolarHBondContact O-N 3.22Å; R13-R17 VanDerWaalsContact O-CB 3.24Å; R13-R17 WeakPolarHBondContact O-CB 3.38Å; R13-R17 PolarHBondContact O-N 3.26Å; R13-L58 HydrophobicContact CB-CD1 4.3Å
14D88.3Confident88.6Confident53 Ų5352 Ų5228%0.28324%0.244SC..Hα-helixtrans-70.6-26.6-177.8-80.3-66.1000113.3F12 R17 K18F12-D14 PolarHBondContact O-N 3.06Å; D14-R17 IonicContact OD1-CZ 3.57Å; D14-R17 VanDerWaalsContact OD1-CZ 3.25Å; D14-R17 IonicContact OD1-NE 3.51Å; D14-R17 PolarHBondContact OD1-NE 2.9Å; D14-R17 IonicContact OD1-NH2 2.71Å; D14-R17 PolarHBondContact OD1-NH2 3.46Å; D14-K18 WeakPolarHBondContact O-CB 3.38Å; D14-K18 WeakPolarHBondContact O-CG 3.32Å; D14-K18 PolarHBondContact O-N 3.44Å; D14-K18 VanDerWaalsContact O-N 3.08Å
15Y90.8Very high89.1Confident55 Ų5545.6 Ų45.622%0.21621%0.214CC..Hα-helixtrans-70-44.8171.2-67.2-84.7000111.3F12 R13 K18 T19 F94 I97 E98F12-Y15 HydrophobicContact CB-CD2 4.2Å; F12-Y15 HydrophobicContact CD1-CD2 4.07Å; F12-Y15 AromaticContact CD1-CE2 3.96Å; F12-Y15 HydrophobicContact CD1-CE2 3.96Å; F12-Y15 PolarHBondContact O-N 2.81Å; R13-Y15 VanDerWaalsContact C-N 3.33Å; R13-Y15 PolarHBondContact O-N 3.19Å; Y15-K18 PolarHBondContact O-N 3.04Å; Y15-T19 VanDerWaalsContact O-CB 3.24Å; Y15-T19 WeakPolarHBondContact O-CB 3.4Å; Y15-T19 PolarHBondContact O-N 2.98Å; Y15-T19 PolarHBondContact O-OG1 2.85Å; Y15-F94 HydrophobicContact CD1-CB 3.82Å; Y15-F94 AromaticContact CD1-CD1 3.91Å; Y15-F94 HydrophobicContact CD1-CD1 3.91Å; Y15-F94 HydrophobicContact CD1-CG 4.15Å; Y15-F94 HydrophobicContact CD2-CB 4.1Å; Y15-F94 AromaticContact CD2-CD1 3.92Å; Y15-F94 HydrophobicContact CD2-CD1 3.92Å; Y15-F94 HydrophobicContact CD2-CD2 4.46Å; Y15-F94 AromaticContact CD2-CG 3.89Å; Y15-F94 HydrophobicContact CD2-CG 3.89Å; Y15-F94 HydrophobicContact CE1-CB 3.79Å; Y15-F94 HydrophobicContact CE2-CB 4.09Å; Y15-F94 HydrophobicContact CE2-CG 4.3Å; Y15-F94 HydrophobicContact CG-CB 3.97Å; Y15-F94 AromaticContact CG-CD1 3.45Å; Y15-F94 HydrophobicContact CG-CD1 3.45Å; Y15-F94 VanDerWaalsContact CG-CD1 3.45Å; Y15-F94 HydrophobicContact CG-CE1 4.15Å; Y15-F94 AromaticContact CG-CG 3.81Å; Y15-F94 HydrophobicContact CG-CG 3.81Å; Y15-I97 HydrophobicContact CD1-CG2 4.17Å; Y15-E98 HydrophobicContact CE1-CB 4.23Å; Y15-E98 VanDerWaalsContact CE1-OE2 3.26Å; Y15-E98 WeakPolarHBondContact CE1-OE2 3.24Å
16V90.9Very high89.4Confident0 Ų043.2 Ų43.20%020%0.203CC..Hα-helixtrans-61.9-48.4175.2-171.30000109.8L9 R13 K18 T19 L20 L58 F73 L85 I89L9-V16 HydrophobicContact CD1-CG2 4.36Å; R13-V16 PolarHBondContact O-N 3.22Å; V16-K18 VanDerWaalsContact C-N 3.34Å; V16-K18 PolarHBondContact O-N 2.85Å; V16-T19 PolarHBondContact O-N 2.82Å; V16-T19 VanDerWaalsContact O-N 3.07Å; V16-L20 HydrophobicContact CG1-CB 3.99Å; V16-L20 HydrophobicContact CG1-CD2 3.77Å; V16-L20 VanDerWaalsContact O-CB 3.27Å; V16-L20 WeakPolarHBondContact O-CB 3.41Å; V16-L20 PolarHBondContact O-N 3.26Å; V16-L58 HydrophobicContact CB-CD1 3.94Å; V16-L58 HydrophobicContact CB-CD2 4.47Å; V16-L58 HydrophobicContact CG1-CD1 3.97Å; V16-L58 HydrophobicContact CG1-CD2 4.07Å; V16-L58 HydrophobicContact CG1-CG 4.32Å; V16-F73 HydrophobicContact CG1-CZ 4.38Å; V16-L85 HydrophobicContact CG1-CD2 4.33Å; V16-L85 HydrophobicContact CG2-CD1 4.28Å; V16-I89 HydrophobicContact CG2-CD1 3.94Å; V16-I89 HydrophobicContact CG2-CG1 4.42Å
17R92.9Very high89.5Confident75 Ų7542.7 Ų42.728%0.28321%0.213SC..Hα-helixtrans-57.2-38.8178.8-179.1168.176.4116.5-2.7114R13 D14 T19 M51 E52 S55R13-R17 VanDerWaalsContact O-CB 3.24Å; R13-R17 WeakPolarHBondContact O-CB 3.38Å; R13-R17 PolarHBondContact O-N 3.26Å; D14-R17 IonicContact OD1-CZ 3.57Å; D14-R17 VanDerWaalsContact OD1-CZ 3.25Å; D14-R17 IonicContact OD1-NE 3.51Å; D14-R17 PolarHBondContact OD1-NE 2.9Å; D14-R17 IonicContact OD1-NH2 2.71Å; D14-R17 PolarHBondContact OD1-NH2 3.46Å; R17-T19 VanDerWaalsContact C-N 3.33Å; R17-M51 HydrophobicContact CG-CG 3.53Å; R17-M51 WeakPolarHBondContact CG-O 3.41Å; R17-E52 IonicContact NH1-OE1 2.95Å; R17-E52 PolarHBondContact NH1-OE1 3.01Å; R17-S55 WeakPolarHBondContact CD-OG 3.39Å
18K89.8Confident89.6Confident67 Ų6741 Ų4129%0.29120%0.201SC..Hα-helixtrans-73-21.3177.1-74.3171-177.5-178.40114.2D14 Y15 V16D14-K18 WeakPolarHBondContact O-CB 3.38Å; D14-K18 WeakPolarHBondContact O-CG 3.32Å; D14-K18 PolarHBondContact O-N 3.44Å; D14-K18 VanDerWaalsContact O-N 3.08Å; Y15-K18 PolarHBondContact O-N 3.04Å; V16-K18 VanDerWaalsContact C-N 3.34Å; V16-K18 PolarHBondContact O-N 2.85Å
19T90.5Very high89.7Confident0 Ų039.1 Ų39.10%019%0.191CC..Hα-helixtrans-116.3-45.2-161.2-530000111.8Y15 V16 R17 Y82 L85 R161 D163Y15-T19 VanDerWaalsContact O-CB 3.24Å; Y15-T19 WeakPolarHBondContact O-CB 3.4Å; Y15-T19 PolarHBondContact O-N 2.98Å; Y15-T19 PolarHBondContact O-OG1 2.85Å; V16-T19 PolarHBondContact O-N 2.82Å; V16-T19 VanDerWaalsContact O-N 3.07Å; R17-T19 VanDerWaalsContact C-N 3.33Å; T19-Y82 WeakPolarHBondContact O-CE1 3.39Å; T19-L85 HydrophobicContact CG2-CB 4.44Å; T19-L85 HydrophobicContact CG2-CD1 4.47Å; T19-L85 HydrophobicContact CG2-CD2 3.99Å; T19-R161 VanDerWaalsContact CG2-O 3.27Å; T19-R161 WeakPolarHBondContact CG2-O 3.37Å; T19-R161 PolarHBondContact O-NH1 3.2Å; T19-D163 HydrophobicContact CG2-CB 3.76Å
20L93.7Very high89.4Confident0 Ų042.3 Ų42.30%021%0.214CC..  trans-75.4134.4-176.9-179.959.7000111.7V16 I25 A54 F57 F73 L77 Y82 L85 R161V16-L20 HydrophobicContact CG1-CB 3.99Å; V16-L20 HydrophobicContact CG1-CD2 3.77Å; V16-L20 VanDerWaalsContact O-CB 3.27Å; V16-L20 WeakPolarHBondContact O-CB 3.41Å; V16-L20 PolarHBondContact O-N 3.26Å; L20-I25 HydrophobicContact CD1-CD1 3.84Å; L20-I25 HydrophobicContact CD1-CG1 4.19Å; L20-I25 HydrophobicContact CD2-CD1 3.96Å; L20-I25 HydrophobicContact CG-CD1 4.48Å; L20-A54 HydrophobicContact CB-CB 4.5Å; L20-F57 HydrophobicContact CD2-CD1 3.87Å; L20-F57 HydrophobicContact CD2-CE1 3.79Å; L20-F73 HydrophobicContact CD2-CE2 4.27Å; L20-L77 HydrophobicContact CD1-CD2 3.83Å; L20-Y82 HydrophobicContact CD1-CD2 4Å; L20-Y82 HydrophobicContact CD1-CE1 4.44Å; L20-Y82 HydrophobicContact CD1-CE2 3.58Å; L20-L85 HydrophobicContact CB-CD2 4.13Å; L20-R161 PolarHBondContact O-NH1 2.94Å
21D93.2Very high89.4Confident0 Ų042.5 Ų42.50%022%0.223CC..  trans-102.5116.1149.9-176.1-39.5000106.8T23 Y24 K45 P50 Y82 R161D21-T23 PolarHBondContact O-N 3.35Å; D21-T23 WeakPolarHBondContact OD1-CB 3.49Å; D21-T23 PolarHBondContact OD1-N 3.49Å; D21-T23 PolarHBondContact OD1-OG1 2.91Å; D21-Y24 HydrophobicContact CB-CD2 3.95Å; D21-Y24 HydrophobicContact CB-CE2 3.86Å; D21-K45 IonicContact OD1-NZ 2.85Å; D21-K45 WeakPolarHBondContact OD2-CD 3.47Å; D21-K45 WeakPolarHBondContact OD2-CE 3.34Å; D21-K45 IonicContact OD2-NZ 2.64Å; D21-K45 PolarHBondContact OD2-NZ 2.71Å; D21-P50 HydrophobicContact CB-CB 4.13Å; D21-Y82 PolarHBondContact N-OH 3.23Å; D21-R161 VanDerWaalsContact N-NH1 3.12Å
22P91.3Very high89.4Confident0 Ų042.8 Ų42.80%021%0.209CC..G310 helixtrans-65.8-24.5-175.228.3-36.4000112.3Y24 I25 L26 I41 A53 F57P22-Y24 PolarHBondContact O-N 3.26Å; P22-Y24 VanDerWaalsContact O-N 3.15Å; P22-I25 CarbonylContact O-C 3.54Å; P22-I25 WeakPolarHBondContact O-CG1 3.42Å; P22-I25 PolarHBondContact O-N 3.39Å; P22-L26 WeakPolarHBondContact O-CG 3.42Å; P22-L26 PolarHBondContact O-N 2.72Å; P22-I41 HydrophobicContact CB-CG2 3.92Å; P22-I41 HydrophobicContact CG-CG2 3.46Å; P22-I41 VanDerWaalsContact CG-CG2 3.46Å; P22-A53 HydrophobicContact CG-CB 3.76Å; P22-F57 HydrophobicContact CB-CB 3.73Å; P22-F57 HydrophobicContact CB-CD1 4.11Å; P22-F57 HydrophobicContact CB-CD2 3.91Å; P22-F57 HydrophobicContact CB-CG 3.65Å; P22-F57 HydrophobicContact CG-CB 4.17Å
23T89.7Confident89.4Confident32 Ų3240.2 Ų40.220%0.19620%0.198CC..G310 helixtrans-66.6-18.6-174.562.60000114D21 I25 L26 Q42 K45D21-T23 PolarHBondContact O-N 3.35Å; D21-T23 WeakPolarHBondContact OD1-CB 3.49Å; D21-T23 PolarHBondContact OD1-N 3.49Å; D21-T23 PolarHBondContact OD1-OG1 2.91Å; T23-I25 VanDerWaalsContact C-N 3.34Å; T23-L26 HydrophobicContact CG2-CD1 4.03Å; T23-Q42 HydrophobicContact CG2-CG 4.04Å; T23-K45 HydrophobicContact CG2-CB 4.3Å; T23-K45 HydrophobicContact CG2-CD 3.57Å; T23-K45 WeakPolarHBondContact OG1-CD 3.14Å; T23-K45 PolarHBondContact OG1-NZ 3.28Å
24Y89.8Confident89.3Confident9 Ų941 Ų414%0.03521%0.207CC..G310 helixtrans-79.5-13.5170.6-53.5-36.6000113.5D21 P22 Y82 I132 Q134 E135 E138D21-Y24 HydrophobicContact CB-CD2 3.95Å; D21-Y24 HydrophobicContact CB-CE2 3.86Å; P22-Y24 PolarHBondContact O-N 3.26Å; P22-Y24 VanDerWaalsContact O-N 3.15Å; Y24-Y82 HydrophobicContact CD2-CE2 4.39Å; Y24-I132 HydrophobicContact CD2-CD1 4.19Å; Y24-Q134 HydrophobicContact CD1-CB 4.4Å; Y24-Q134 VanDerWaalsContact CD1-CD 3.43Å; Y24-Q134 HydrophobicContact CD1-CG 4.08Å; Y24-Q134 HydrophobicContact CE1-CB 4.36Å; Y24-Q134 HydrophobicContact CE1-CG 3.87Å; Y24-E135 HydrophobicContact CE2-CG 3.62Å; Y24-E138 WeakPolarHBondContact CE1-OE1 3.2Å; Y24-E138 VanDerWaalsContact OH-CD 3.29Å; Y24-E138 PolarHBondContact OH-OE1 3.44Å; Y24-E138 PolarHBondContact OH-OE2 3Å
25I90.7Very high89.2Confident0 Ų044.7 Ų44.70%023%0.227CC..THydrogen-bonded Turntrans-116.2-12.2177.861.3167.6000115.4L20 P22 T23 S27 Y28 M29 F57 F73 A76 L77 A80 Y82L20-I25 HydrophobicContact CD1-CD1 3.84Å; L20-I25 HydrophobicContact CD1-CG1 4.19Å; L20-I25 HydrophobicContact CD2-CD1 3.96Å; L20-I25 HydrophobicContact CG-CD1 4.48Å; P22-I25 CarbonylContact O-C 3.54Å; P22-I25 WeakPolarHBondContact O-CG1 3.42Å; P22-I25 PolarHBondContact O-N 3.39Å; T23-I25 VanDerWaalsContact C-N 3.34Å; I25-S27 PolarHBondContact O-N 3.13Å; I25-S27 VanDerWaalsContact O-N 3.13Å; I25-Y28 PolarHBondContact O-N 3.13Å; I25-Y28 VanDerWaalsContact O-N 3.09Å; I25-M29 PolarHBondContact O-N 2.93Å; I25-M29 VanDerWaalsContact O-N 3.16Å; I25-F57 HydrophobicContact CD1-CE1 3.67Å; I25-F57 HydrophobicContact CD1-CE2 4.23Å; I25-F57 HydrophobicContact CD1-CZ 3.39Å; I25-F57 HydrophobicContact CG1-CZ 4.12Å; I25-F73 HydrophobicContact CD1-CD2 4Å; I25-F73 HydrophobicContact CD1-CE2 3.79Å; I25-A76 HydrophobicContact CB-CB 4.1Å; I25-A76 HydrophobicContact CG2-CB 4.19Å; I25-A76 WeakPolarHBondContact CG2-O 3.08Å; I25-L77 HydrophobicContact CD1-CD2 4.31Å; I25-A80 HydrophobicContact CG2-CB 3.45Å; I25-A80 VanDerWaalsContact CG2-CB 3.45Å; I25-Y82 HydrophobicContact CG2-CD2 4.5Å
26L89.1Confident89.1Confident5 Ų547 Ų473%0.02624%0.242CC..Hα-helixtrans-54.3-34.3-178.2-77177.2000113.8P22 T23 M29 S30 L33 V38 I41 Q42 F57P22-L26 WeakPolarHBondContact O-CG 3.42Å; P22-L26 PolarHBondContact O-N 2.72Å; T23-L26 HydrophobicContact CG2-CD1 4.03Å; L26-M29 PolarHBondContact O-N 2.86Å; L26-S30 PolarHBondContact O-N 2.94Å; L26-S30 VanDerWaalsContact O-N 3.07Å; L26-L33 HydrophobicContact CD2-CD1 3.84Å; L26-V38 HydrophobicContact CB-CG1 4.43Å; L26-V38 HydrophobicContact CD1-CG1 4.17Å; L26-V38 HydrophobicContact CD2-CG2 4.47Å; L26-I41 HydrophobicContact CD1-CB 4.29Å; L26-I41 HydrophobicContact CD1-CG2 4.06Å; L26-I41 HydrophobicContact CD2-CB 4.46Å; L26-I41 HydrophobicContact CD2-CD1 3.86Å; L26-I41 HydrophobicContact CD2-CG2 4.27Å; L26-Q42 HydrophobicContact CD1-CG 3.74Å; L26-F57 HydrophobicContact CD2-CD2 4.07Å; L26-F57 HydrophobicContact CD2-CE2 4.29Å
27S86.4Confident89Confident78 Ų7848.6 Ų48.655%0.54525%0.25SS..Hα-helixtrans-61.1-45.6177.448.50000112.4I25 M29 S30I25-S27 PolarHBondContact O-N 3.13Å; I25-S27 VanDerWaalsContact O-N 3.13Å; S27-M29 VanDerWaalsContact C-N 3.35Å; S27-S30 WeakPolarHBondContact O-CB 3.22Å; S27-S30 PolarHBondContact O-N 3.09Å; S27-S30 PolarHBondContact O-OG 3.16Å
28Y86.9Confident88.8Confident108 Ų10846 Ų4642%0.42424%0.242SC..Hα-helixtrans-70.9-30.3177.5-54.5-81.2000112.3I25 P31 A76 H79I25-Y28 PolarHBondContact O-N 3.13Å; I25-Y28 VanDerWaalsContact O-N 3.09Å; Y28-P31 WeakPolarHBondContact O-CD 3.43Å; Y28-A76 HydrophobicContact CD2-CB 4.29Å; Y28-A76 HydrophobicContact CG-CB 4.15Å; Y28-H79 HydrophobicContact CE1-CB 3.93Å; Y28-H79 HydrophobicContact CE2-CB 4.37Å
29M89.9Confident88.8Confident0 Ų048.8 Ų48.80%026%0.256CS..Hα-helixtrans-85.4-3.8179.2-61-53.2-67.500114.4I25 L26 S27 P31 W32 L33 F57 L61 A72 F73 A76I25-M29 PolarHBondContact O-N 2.93Å; I25-M29 VanDerWaalsContact O-N 3.16Å; L26-M29 PolarHBondContact O-N 2.86Å; S27-M29 VanDerWaalsContact C-N 3.35Å; M29-P31 VanDerWaalsContact C-N 3.3Å; M29-P31 VanDerWaalsContact O-N 3.17Å; M29-W32 HydrophobicContact CE-CE3 4.49Å; M29-W32 PolarHBondContact O-N 3.09Å; M29-L33 HydrophobicContact CB-CD1 4.11Å; M29-L33 PolarHBondContact O-N 2.84Å; M29-F57 HydrophobicContact CB-CE2 4.45Å; M29-F57 HydrophobicContact CG-CE2 4.16Å; M29-F57 HydrophobicContact CG-CZ 4.13Å; M29-L61 HydrophobicContact CE-CD2 3.71Å; M29-A72 HydrophobicContact SD-CB 4.37Å; M29-F73 HydrophobicContact CE-CB 3.93Å; M29-F73 HydrophobicContact SD-CB 4.21Å; M29-A76 HydrophobicContact CG-CB 4.38Å; M29-A76 HydrophobicContact SD-CB 4Å
30S82.1Confident88.8Confident69 Ų6954.6 Ų54.648%0.48328%0.279SS..THydrogen-bonded Turntrans-55.8-24.5-179.861.20000116.6L26 S27 W32L26-S30 PolarHBondContact O-N 2.94Å; L26-S30 VanDerWaalsContact O-N 3.07Å; S27-S30 WeakPolarHBondContact O-CB 3.22Å; S27-S30 PolarHBondContact O-N 3.09Å; S27-S30 PolarHBondContact O-OG 3.16Å; S30-W32 PolarHBondContact O-N 3.44Å
31P86.1Confident88.7Confident94 Ų9454.6 Ų54.661%0.6128%0.279SS*.THydrogen-bonded Turntrans-72.3-9.3171.4-19.533.3000115.1Y28 M29Y28-P31 WeakPolarHBondContact O-CD 3.43Å; M29-P31 VanDerWaalsContact C-N 3.3Å; M29-P31 VanDerWaalsContact O-N 3.17Å
32W87.6Confident88.5Confident75 Ų7558.8 Ų58.828%0.28430%0.299SS..THydrogen-bonded Turntrans-122.2-13.5-175.9-64-87.8000114.6M29 S30 L64 D67 W69 A72M29-W32 HydrophobicContact CE-CE3 4.49Å; M29-W32 PolarHBondContact O-N 3.09Å; S30-W32 PolarHBondContact O-N 3.44Å; W32-L64 HydrophobicContact CB-CD1 3.98Å; W32-L64 VanDerWaalsContact O-CD2 3.24Å; W32-L64 WeakPolarHBondContact O-CD2 3.37Å; W32-D67 PolarHBondContact NE1-O 3.45Å; W32-W69 HydrophobicContact CB-CB 4.43Å; W32-W69 HydrophobicContact CD2-CB 4.33Å; W32-W69 HydrophobicContact CG-CB 3.85Å; W32-A72 HydrophobicContact CD2-CB 4.38Å; W32-A72 HydrophobicContact CE3-CB 3.95Å; W32-A72 HydrophobicContact CH2-CB 3.28Å; W32-A72 HydrophobicContact CZ2-CB 3.73Å; W32-A72 HydrophobicContact CZ3-CB 3.39Å
33L88.6Confident88.4Confident11 Ų1160.5 Ų60.56%0.05831%0.313CS..SBendtrans-112.1146.9175.9-62.7175.9000109.9L26 M29 E37 V38 I41 F57L26-L33 HydrophobicContact CD2-CD1 3.84Å; M29-L33 HydrophobicContact CB-CD1 4.11Å; M29-L33 PolarHBondContact O-N 2.84Å; L33-E37 WeakPolarHBondContact CA-OE2 3.43Å; L33-V38 HydrophobicContact CB-CG2 3.82Å; L33-V38 HydrophobicContact CD1-CG2 4.4Å; L33-I41 HydrophobicContact CD1-CD1 4.28Å; L33-F57 HydrophobicContact CD1-CD2 4.09Å; L33-F57 HydrophobicContact CD1-CE2 3.95Å
34Q87.3Confident88.5Confident130 Ų13060 Ų6061%0.60731%0.308SS*.  trans-80.6155.4174.9-68.1-177.890.400112D36 E37 V38Q34-D36 WeakPolarHBondContact CB-OD1 3.41Å; Q34-D36 PolarHBondContact O-N 3.34Å; Q34-D36 VanDerWaalsContact O-N 3.16Å; Q34-E37 HydrophobicContact CB-CG 4.24Å; Q34-E37 PolarHBondContact N-OE2 2.93Å; Q34-E37 WeakPolarHBondContact O-CB 3.33Å; Q34-E37 PolarHBondContact O-N 3.26Å; Q34-E37 VanDerWaalsContact O-N 3.09Å; Q34-V38 WeakPolarHBondContact O-CG2 3.25Å; Q34-V38 PolarHBondContact O-N 2.92Å
35D85.6Confident88.4Confident131 Ų13161.2 Ų61.270%0.70131%0.314SS*.Hα-helixtrans-58.7-28.9-176.5-74.6-43.2000113.4Q39D35-Q39 WeakPolarHBondContact O-CB 3.36Å; D35-Q39 WeakPolarHBondContact O-CG 3.29Å; D35-Q39 PolarHBondContact O-N 3.1Å; D35-Q39 VanDerWaalsContact O-N 3.1Å; D35-Q39 PolarHBondContact O-NE2 3.04Å
36D88.2Confident88.1Confident102 Ų10267.3 Ų67.355%0.54535%0.347SS..Hα-helixtrans-77.6-40.2175.565.2-33.9000112.3Q34 Q39 Y40Q34-D36 WeakPolarHBondContact CB-OD1 3.41Å; Q34-D36 PolarHBondContact O-N 3.34Å; Q34-D36 VanDerWaalsContact O-N 3.16Å; D36-Q39 PolarHBondContact O-N 3.3Å; D36-Y40 VanDerWaalsContact O-CB 3.26Å; D36-Y40 WeakPolarHBondContact O-CB 3.42Å; D36-Y40 PolarHBondContact O-N 2.73Å
37E89.8Confident87.9Confident35 Ų3573.1 Ų73.116%0.16438%0.377CS..Hα-helixtrans-59.6-46170.9-60.4177.3139.200110.8L33 Q34 Y40 I41 Y60L33-E37 WeakPolarHBondContact CA-OE2 3.43Å; Q34-E37 HydrophobicContact CB-CG 4.24Å; Q34-E37 PolarHBondContact N-OE2 2.93Å; Q34-E37 WeakPolarHBondContact O-CB 3.33Å; Q34-E37 PolarHBondContact O-N 3.26Å; Q34-E37 VanDerWaalsContact O-N 3.09Å; E37-Y40 PolarHBondContact O-N 2.64Å; E37-I41 WeakPolarHBondContact O-CD1 3.43Å; E37-I41 VanDerWaalsContact O-CG1 3.23Å; E37-I41 WeakPolarHBondContact O-CG1 3.38Å; E37-I41 PolarHBondContact O-N 3.05Å; E37-Y60 HydrophobicContact CB-CE1 4.33Å; E37-Y60 HydrophobicContact CB-CE2 4.3Å; E37-Y60 HydrophobicContact CG-CD1 4.03Å; E37-Y60 HydrophobicContact CG-CE1 3.73Å; E37-Y60 WeakPolarHBondContact OE1-CD1 3Å; E37-Y60 WeakPolarHBondContact OE1-CE1 3.36Å
38V89.1Confident87.7Confident20 Ų2075.4 Ų75.412%0.12138%0.378CS..Hα-helixtrans-59.8-46.8176.5171.60000111.3L26 L33 Q34 Q42L26-V38 HydrophobicContact CB-CG1 4.43Å; L26-V38 HydrophobicContact CD1-CG1 4.17Å; L26-V38 HydrophobicContact CD2-CG2 4.47Å; L33-V38 HydrophobicContact CB-CG2 3.82Å; L33-V38 HydrophobicContact CD1-CG2 4.4Å; Q34-V38 WeakPolarHBondContact O-CG2 3.25Å; Q34-V38 PolarHBondContact O-N 2.92Å; V38-Q42 WeakPolarHBondContact O-CG 3.12Å; V38-Q42 PolarHBondContact O-N 3.08Å
39Q89.4Confident87.6Confident125 Ų12571.3 Ų71.358%0.58437%0.368SS*.Hα-helixtrans-65.1-38.1175.8-77.2169.961.100112.5D35 D36 Q42 A43D35-Q39 WeakPolarHBondContact O-CB 3.36Å; D35-Q39 WeakPolarHBondContact O-CG 3.29Å; D35-Q39 PolarHBondContact O-N 3.1Å; D35-Q39 VanDerWaalsContact O-N 3.1Å; D35-Q39 PolarHBondContact O-NE2 3.04Å; D36-Q39 PolarHBondContact O-N 3.3Å; Q39-Q42 PolarHBondContact O-N 3.38Å; Q39-A43 WeakPolarHBondContact O-CB 3.34Å; Q39-A43 PolarHBondContact O-N 3.43Å
40Y91.3Very high87.6Confident123 Ų12372.5 Ų72.548%0.48238%0.376SS..Hα-helixtrans-68.9-38.2-179.4-167.3-122.8000111.9D36 E37 A43 E44 L56 Y60D36-Y40 VanDerWaalsContact O-CB 3.26Å; D36-Y40 WeakPolarHBondContact O-CB 3.42Å; D36-Y40 PolarHBondContact O-N 2.73Å; E37-Y40 PolarHBondContact O-N 2.64Å; Y40-A43 PolarHBondContact O-N 2.86Å; Y40-E44 WeakPolarHBondContact O-CB 3.41Å; Y40-E44 PolarHBondContact O-N 3Å; Y40-L56 HydrophobicContact CD1-CD1 4.14Å; Y40-L56 HydrophobicContact CD1-CD2 3.58Å; Y40-L56 HydrophobicContact CD1-CG 4.4Å; Y40-L56 HydrophobicContact CE1-CD1 4.03Å; Y40-L56 HydrophobicContact CE1-CD2 3.79Å; Y40-L56 HydrophobicContact CG-CD2 4.4Å; Y40-Y60 WeakPolarHBondContact CD1-OH 3.36Å
41I90.4Very high88Confident0 Ų073.3 Ų73.30%037%0.373CS..Hα-helixtrans-64.2-39.8172.9-63.7157.6000111.3P22 L26 L33 E37 E44 K45 A53 L56 F57 Y60P22-I41 HydrophobicContact CB-CG2 3.92Å; P22-I41 HydrophobicContact CG-CG2 3.46Å; P22-I41 VanDerWaalsContact CG-CG2 3.46Å; L26-I41 HydrophobicContact CD1-CB 4.29Å; L26-I41 HydrophobicContact CD1-CG2 4.06Å; L26-I41 HydrophobicContact CD2-CB 4.46Å; L26-I41 HydrophobicContact CD2-CD1 3.86Å; L26-I41 HydrophobicContact CD2-CG2 4.27Å; L33-I41 HydrophobicContact CD1-CD1 4.28Å; E37-I41 WeakPolarHBondContact O-CD1 3.43Å; E37-I41 VanDerWaalsContact O-CG1 3.23Å; E37-I41 WeakPolarHBondContact O-CG1 3.38Å; E37-I41 PolarHBondContact O-N 3.05Å; I41-E44 PolarHBondContact O-N 3.04Å; I41-K45 PolarHBondContact O-N 3.23Å; I41-A53 HydrophobicContact CG2-CB 4.3Å; I41-L56 HydrophobicContact CG1-CD2 4.07Å; I41-L56 HydrophobicContact CG1-CG 4.11Å; I41-F57 HydrophobicContact CD1-CB 4.18Å; I41-F57 HydrophobicContact CD1-CD2 4.11Å; I41-F57 HydrophobicContact CG2-CB 4.34Å; I41-Y60 HydrophobicContact CD1-CD2 3.89Å; I41-Y60 HydrophobicContact CD1-CE2 4.26Å; I41-Y60 HydrophobicContact CG1-CD2 4.13Å; I41-Y60 HydrophobicContact CG1-CE2 4.09Å
42Q89.6Confident88.2Confident87 Ų8772 Ų7241%0.40736%0.359SS..Hα-helixtrans-65.1-41.5174.2-69.3174.210.500112.1T23 L26 V38 Q39 K45 N46T23-Q42 HydrophobicContact CG2-CG 4.04Å; L26-Q42 HydrophobicContact CD1-CG 3.74Å; V38-Q42 WeakPolarHBondContact O-CG 3.12Å; V38-Q42 PolarHBondContact O-N 3.08Å; Q39-Q42 PolarHBondContact O-N 3.38Å; Q42-K45 PolarHBondContact O-N 2.78Å; Q42-N46 PolarHBondContact O-N 2.76Å; Q42-N46 PolarHBondContact O-ND2 3.18Å
43A88.5Confident88.4Confident36 Ų3668.4 Ų68.430%0.29835%0.345SS..Hα-helixtrans-64-40.1174.600000111.8Q39 Y40 N46 N47Q39-A43 WeakPolarHBondContact O-CB 3.34Å; Q39-A43 PolarHBondContact O-N 3.43Å; Y40-A43 PolarHBondContact O-N 2.86Å; A43-N46 PolarHBondContact O-N 3.22Å; A43-N47 WeakPolarHBondContact O-CB 3.46Å; A43-N47 VanDerWaalsContact O-CG 3.25Å; A43-N47 PolarHBondContact O-N 3.29Å; A43-N47 PolarHBondContact O-ND2 3.4Å
44E91.8Very high88.6Confident21 Ų2167.9 Ų67.910%0.09834%0.343CS..Hα-helixtrans-66.1-39.6178.2-169.968.5171.500112Y40 I41 N46 N47 K48 G49 E52 L56Y40-E44 WeakPolarHBondContact O-CB 3.41Å; Y40-E44 PolarHBondContact O-N 3Å; I41-E44 PolarHBondContact O-N 3.04Å; E44-N46 VanDerWaalsContact C-N 3.31Å; E44-N46 PolarHBondContact O-N 2.89Å; E44-N47 PolarHBondContact O-N 3.15Å; E44-K48 PolarHBondContact O-N 3.06Å; E44-K48 WeakPolarHBondContact OE1-CD 3.19Å; E44-K48 IonicContact OE1-NZ 3.52Å; E44-K48 PolarHBondContact OE1-NZ 3.28Å; E44-K48 IonicContact OE2-NZ 3.4Å; E44-K48 PolarHBondContact OE2-NZ 2.98Å; E44-G49 PolarHBondContact O-N 2.84Å; E44-E52 HydrophobicContact CG-CB 4.42Å; E44-L56 HydrophobicContact CB-CD2 3.7Å; E44-L56 HydrophobicContact CG-CD2 3.9Å
45K88.3Confident88.9Confident36 Ų3663.3 Ų63.316%0.15733%0.325CS..Hα-helixtrans-55.6-47.1169.9170.4176.6171.2162.80111.2D21 T23 I41 Q42 N47 G49 A53D21-K45 IonicContact OD1-NZ 2.85Å; D21-K45 WeakPolarHBondContact OD2-CD 3.47Å; D21-K45 WeakPolarHBondContact OD2-CE 3.34Å; D21-K45 IonicContact OD2-NZ 2.64Å; D21-K45 PolarHBondContact OD2-NZ 2.71Å; T23-K45 HydrophobicContact CG2-CB 4.3Å; T23-K45 HydrophobicContact CG2-CD 3.57Å; T23-K45 WeakPolarHBondContact OG1-CD 3.14Å; T23-K45 PolarHBondContact OG1-NZ 3.28Å; I41-K45 PolarHBondContact O-N 3.23Å; Q42-K45 PolarHBondContact O-N 2.78Å; K45-N47 PolarHBondContact O-N 2.77Å; K45-G49 WeakPolarHBondContact O-CA 3.44Å; K45-G49 PolarHBondContact O-N 2.87Å; K45-A53 HydrophobicContact CB-CB 3.88Å
46N84.6Confident89.2Confident128 Ų12858 Ų5868%0.68430%0.296SS*.Hα-helixtrans-71.3-28.6-176.5-67.7-28.1000113.2Q42 A43 E44Q42-N46 PolarHBondContact O-N 2.76Å; Q42-N46 PolarHBondContact O-ND2 3.18Å; A43-N46 PolarHBondContact O-N 3.22Å; E44-N46 VanDerWaalsContact C-N 3.31Å; E44-N46 PolarHBondContact O-N 2.89Å
47N83.8Confident89.4Confident126 Ų12653.1 Ų53.167%0.67427%0.27SS*.Hα-helixtrans-95.2-36-176.3-69.1-36.3000114.2A43 E44 K45A43-N47 WeakPolarHBondContact O-CB 3.46Å; A43-N47 VanDerWaalsContact O-CG 3.25Å; A43-N47 PolarHBondContact O-N 3.29Å; A43-N47 PolarHBondContact O-ND2 3.4Å; E44-N47 PolarHBondContact O-N 3.15Å; K45-N47 PolarHBondContact O-N 2.77Å
48K83.3Confident89.6Confident127 Ų12751.8 Ų51.855%0.55226%0.264SS*.Hα-helixtrans-128.3-2.1-173.8-52.5-154.6-162.779.60114.5E44 E52E44-K48 PolarHBondContact O-N 3.06Å; E44-K48 WeakPolarHBondContact OE1-CD 3.19Å; E44-K48 IonicContact OE1-NZ 3.52Å; E44-K48 PolarHBondContact OE1-NZ 3.28Å; E44-K48 IonicContact OE2-NZ 3.4Å; E44-K48 PolarHBondContact OE2-NZ 2.98Å; K48-E52 HydrophobicContact CB-CB 4.14Å; K48-E52 HydrophobicContact CB-CG 4.47Å
49G85.4Confident89.7Confident22 Ų2256.5 Ų56.523%0.22729%0.285CS..  trans90.3170.5176.500000114.7E44 K45 M51 E52 A53E44-G49 PolarHBondContact O-N 2.84Å; K45-G49 WeakPolarHBondContact O-CA 3.44Å; K45-G49 PolarHBondContact O-N 2.87Å; G49-M51 VanDerWaalsContact C-N 3.25Å; G49-M51 PolarHBondContact O-N 2.96Å; G49-M51 VanDerWaalsContact O-N 3.17Å; G49-E52 PolarHBondContact O-N 2.95Å; G49-A53 PolarHBondContact O-N 3.25Å
50P88.3Confident89.8Confident24 Ų2452.6 Ų52.616%0.15627%0.265CS..Hα-helixtrans-59.6-30.6-172.4-26.435.4000114.7D21 A53 A54D21-P50 HydrophobicContact CB-CB 4.13Å; P50-A53 PolarHBondContact O-N 3.19Å; P50-A54 WeakPolarHBondContact O-CB 3.49Å; P50-A54 PolarHBondContact O-N 3.1Å
51M90.3Very high89.7Confident86 Ų8646.7 Ų46.742%0.42424%0.242SC..Hα-helixtrans-64.8-45.6-176.5-169176.5-66.500112.2R17 G49 A54 S55R17-M51 HydrophobicContact CG-CG 3.53Å; R17-M51 WeakPolarHBondContact CG-O 3.41Å; G49-M51 VanDerWaalsContact C-N 3.25Å; G49-M51 PolarHBondContact O-N 2.96Å; G49-M51 VanDerWaalsContact O-N 3.17Å; M51-A54 WeakPolarHBondContact O-CB 3.41Å; M51-A54 PolarHBondContact O-N 3.43Å; M51-S55 PolarHBondContact O-N 3.4Å; M51-S55 PolarHBondContact O-OG 3.47Å
52E90.6Very high89.6Confident67 Ų6748 Ų4831%0.31325%0.248SC..Hα-helixtrans-81.1-25.9178.9-60.1-51150.800112.6R17 E44 K48 G49 A54 S55 L56R17-E52 IonicContact NH1-OE1 2.95Å; R17-E52 PolarHBondContact NH1-OE1 3.01Å; E44-E52 HydrophobicContact CG-CB 4.42Å; K48-E52 HydrophobicContact CB-CB 4.14Å; K48-E52 HydrophobicContact CB-CG 4.47Å; G49-E52 PolarHBondContact O-N 2.95Å; E52-A54 VanDerWaalsContact C-N 3.28Å; E52-A54 PolarHBondContact O-N 3.17Å; E52-S55 WeakPolarHBondContact O-CB 3.36Å; E52-S55 PolarHBondContact O-N 3.44Å; E52-S55 WeakPolarHBondContact OE2-CB 3.37Å; E52-S55 PolarHBondContact OE2-OG 2.96Å; E52-L56 WeakPolarHBondContact O-CB 3.34Å; E52-L56 PolarHBondContact O-N 2.67Å
53A92.1Very high89.4Confident0 Ų049.5 Ų49.50%026%0.256CS..Hα-helixtrans-59.5-40.4164.500000111.4P22 I41 K45 G49 P50 L56 F57P22-A53 HydrophobicContact CG-CB 3.76Å; I41-A53 HydrophobicContact CG2-CB 4.3Å; K45-A53 HydrophobicContact CB-CB 3.88Å; G49-A53 PolarHBondContact O-N 3.25Å; P50-A53 PolarHBondContact O-N 3.19Å; A53-L56 PolarHBondContact O-N 3.03Å; A53-F57 VanDerWaalsContact O-CB 3.3Å; A53-F57 WeakPolarHBondContact O-CB 3.4Å; A53-F57 PolarHBondContact O-N 3.3Å
54A93.5Very high89.3Confident0 Ų049 Ų490%025%0.248CC..Hα-helixtrans-69.3-38.8175.300000112.6L20 P50 M51 E52 L56 L58L20-A54 HydrophobicContact CB-CB 4.5Å; P50-A54 WeakPolarHBondContact O-CB 3.49Å; P50-A54 PolarHBondContact O-N 3.1Å; M51-A54 WeakPolarHBondContact O-CB 3.41Å; M51-A54 PolarHBondContact O-N 3.43Å; E52-A54 VanDerWaalsContact C-N 3.28Å; E52-A54 PolarHBondContact O-N 3.17Å; A54-L56 VanDerWaalsContact C-N 3.31Å; A54-L56 PolarHBondContact O-N 3.1Å; A54-L58 WeakPolarHBondContact O-CB 3.17Å; A54-L58 WeakPolarHBondContact O-CD1 3.49Å; A54-L58 WeakPolarHBondContact O-CG 3.07Å; A54-L58 PolarHBondContact O-N 2.97Å
55S92.4Very high88.7Confident33 Ų3356.9 Ų56.923%0.23129%0.285CS..Hα-helixtrans-52.5-50.7169.2-59.10000111.4R17 M51 E52 L58 Q59R17-S55 WeakPolarHBondContact CD-OG 3.39Å; M51-S55 PolarHBondContact O-N 3.4Å; M51-S55 PolarHBondContact O-OG 3.47Å; E52-S55 WeakPolarHBondContact O-CB 3.36Å; E52-S55 PolarHBondContact O-N 3.44Å; E52-S55 WeakPolarHBondContact OE2-CB 3.37Å; E52-S55 PolarHBondContact OE2-OG 2.96Å; S55-L58 PolarHBondContact O-N 2.88Å; S55-Q59 PolarHBondContact O-N 3.24Å
56L91.9Very high88.2Confident20 Ų2058.8 Ų58.811%0.10530%0.299CS..Hα-helixtrans-67.6-46.2-176.6177.663000112Y40 I41 E44 E52 A53 A54 L58 Q59 Y60Y40-L56 HydrophobicContact CD1-CD1 4.14Å; Y40-L56 HydrophobicContact CD1-CD2 3.58Å; Y40-L56 HydrophobicContact CD1-CG 4.4Å; Y40-L56 HydrophobicContact CE1-CD1 4.03Å; Y40-L56 HydrophobicContact CE1-CD2 3.79Å; Y40-L56 HydrophobicContact CG-CD2 4.4Å; I41-L56 HydrophobicContact CG1-CD2 4.07Å; I41-L56 HydrophobicContact CG1-CG 4.11Å; E44-L56 HydrophobicContact CB-CD2 3.7Å; E44-L56 HydrophobicContact CG-CD2 3.9Å; E52-L56 WeakPolarHBondContact O-CB 3.34Å; E52-L56 PolarHBondContact O-N 2.67Å; A53-L56 PolarHBondContact O-N 3.03Å; A54-L56 VanDerWaalsContact C-N 3.31Å; A54-L56 PolarHBondContact O-N 3.1Å; L56-L58 PolarHBondContact O-N 3.25Å; L56-Q59 WeakPolarHBondContact O-CB 3.31Å; L56-Q59 PolarHBondContact O-N 3.15Å; L56-Q59 VanDerWaalsContact O-N 3.16Å; L56-Y60 HydrophobicContact CD1-CD2 4.1Å; L56-Y60 HydrophobicContact CD1-CE2 3.42Å; L56-Y60 VanDerWaalsContact CD1-CE2 3.42Å; L56-Y60 HydrophobicContact CD2-CE2 4.31Å; L56-Y60 HydrophobicContact CG-CD2 4.08Å; L56-Y60 HydrophobicContact CG-CE2 3.59Å; L56-Y60 WeakPolarHBondContact O-CD2 3.23Å; L56-Y60 PolarHBondContact O-N 2.83Å
57F94.2Very high87.8Confident0 Ų059 Ų590%030%0.301CS..Hα-helixtrans-58.5-44.8174.9170.1-97.9000112.1L20 P22 I25 L26 M29 L33 I41 A53 Q59 Y60 L61 F73L20-F57 HydrophobicContact CD2-CD1 3.87Å; L20-F57 HydrophobicContact CD2-CE1 3.79Å; P22-F57 HydrophobicContact CB-CB 3.73Å; P22-F57 HydrophobicContact CB-CD1 4.11Å; P22-F57 HydrophobicContact CB-CD2 3.91Å; P22-F57 HydrophobicContact CB-CG 3.65Å; P22-F57 HydrophobicContact CG-CB 4.17Å; I25-F57 HydrophobicContact CD1-CE1 3.67Å; I25-F57 HydrophobicContact CD1-CE2 4.23Å; I25-F57 HydrophobicContact CD1-CZ 3.39Å; I25-F57 HydrophobicContact CG1-CZ 4.12Å; L26-F57 HydrophobicContact CD2-CD2 4.07Å; L26-F57 HydrophobicContact CD2-CE2 4.29Å; M29-F57 HydrophobicContact CB-CE2 4.45Å; M29-F57 HydrophobicContact CG-CE2 4.16Å; M29-F57 HydrophobicContact CG-CZ 4.13Å; L33-F57 HydrophobicContact CD1-CD2 4.09Å; L33-F57 HydrophobicContact CD1-CE2 3.95Å; I41-F57 HydrophobicContact CD1-CB 4.18Å; I41-F57 HydrophobicContact CD1-CD2 4.11Å; I41-F57 HydrophobicContact CG2-CB 4.34Å; A53-F57 VanDerWaalsContact O-CB 3.3Å; A53-F57 WeakPolarHBondContact O-CB 3.4Å; A53-F57 PolarHBondContact O-N 3.3Å; F57-Q59 VanDerWaalsContact C-N 3.34Å; F57-Q59 PolarHBondContact O-N 3.15Å; F57-Y60 PolarHBondContact O-N 3.14Å; F57-L61 HydrophobicContact CD1-CD1 4.14Å; F57-L61 HydrophobicContact CD1-CG 4.4Å; F57-L61 HydrophobicContact CE1-CD1 3.38Å; F57-L61 HydrophobicContact CE1-CG 3.97Å; F57-L61 HydrophobicContact CE2-CD1 4.35Å; F57-L61 HydrophobicContact CE2-CD2 4.25Å; F57-L61 HydrophobicContact CE2-CG 4.25Å; F57-L61 HydrophobicContact CZ-CD1 3.52Å; F57-L61 HydrophobicContact CZ-CD2 4.12Å; F57-L61 HydrophobicContact CZ-CG 3.9Å; F57-L61 PolarHBondContact O-N 3.45Å; F57-F73 HydrophobicContact CE1-CD2 4.11Å; F57-F73 AromaticContact CE1-CE2 3.69Å; F57-F73 HydrophobicContact CE1-CE2 3.69Å; F57-F73 HydrophobicContact CE1-CZ 4.42Å; F57-F73 HydrophobicContact CZ-CD2 4.11Å; F57-F73 HydrophobicContact CZ-CE2 4.13Å
58L92.3Very high87.8Confident7 Ų755 Ų554%0.03729%0.289CS..Hα-helixtrans-62.6-39.7174.4-76.5165.4000112.3L9 R13 V16 A54 S55 L56 Y60 L61 L62L9-L58 HydrophobicContact CD1-CD2 4.25Å; L9-L58 HydrophobicContact CD2-CD2 4.4Å; L9-L58 HydrophobicContact CG-CD2 4.31Å; R13-L58 HydrophobicContact CB-CD1 4.3Å; V16-L58 HydrophobicContact CB-CD1 3.94Å; V16-L58 HydrophobicContact CB-CD2 4.47Å; V16-L58 HydrophobicContact CG1-CD1 3.97Å; V16-L58 HydrophobicContact CG1-CD2 4.07Å; V16-L58 HydrophobicContact CG1-CG 4.32Å; A54-L58 WeakPolarHBondContact O-CB 3.17Å; A54-L58 WeakPolarHBondContact O-CD1 3.49Å; A54-L58 WeakPolarHBondContact O-CG 3.07Å; A54-L58 PolarHBondContact O-N 2.97Å; S55-L58 PolarHBondContact O-N 2.88Å; L56-L58 PolarHBondContact O-N 3.25Å; L58-Y60 VanDerWaalsContact C-N 3.31Å; L58-Y60 PolarHBondContact O-N 3.02Å; L58-L61 PolarHBondContact O-N 2.85Å; L58-L62 WeakPolarHBondContact O-CB 3.37Å; L58-L62 WeakPolarHBondContact O-CD1 3.49Å; L58-L62 VanDerWaalsContact O-CG 3.24Å; L58-L62 WeakPolarHBondContact O-CG 3.26Å; L58-L62 PolarHBondContact O-N 2.97Å
59Q91.4Very high88Confident118 Ų11849.1 Ų49.155%0.55126%0.263SS*.Hα-helixtrans-60.6-38.8175.3173.3174.2-14.700111.9S55 L56 F57 Q63S55-Q59 PolarHBondContact O-N 3.24Å; L56-Q59 WeakPolarHBondContact O-CB 3.31Å; L56-Q59 PolarHBondContact O-N 3.15Å; L56-Q59 VanDerWaalsContact O-N 3.16Å; F57-Q59 VanDerWaalsContact C-N 3.34Å; F57-Q59 PolarHBondContact O-N 3.15Å; Q59-Q63 WeakPolarHBondContact O-CG 3.38Å; Q59-Q63 PolarHBondContact O-NE2 2.59Å
60Y91.7Very high88.2Confident43 Ų4348.7 Ų48.717%0.16926%0.256CS..Hα-helixtrans-68.9-50.8173.4-70.2-63.5000112.1E37 Y40 I41 L56 F57 L58 L62 Q63 L64E37-Y60 HydrophobicContact CB-CE1 4.33Å; E37-Y60 HydrophobicContact CB-CE2 4.3Å; E37-Y60 HydrophobicContact CG-CD1 4.03Å; E37-Y60 HydrophobicContact CG-CE1 3.73Å; E37-Y60 WeakPolarHBondContact OE1-CD1 3Å; E37-Y60 WeakPolarHBondContact OE1-CE1 3.36Å; Y40-Y60 WeakPolarHBondContact CD1-OH 3.36Å; I41-Y60 HydrophobicContact CD1-CD2 3.89Å; I41-Y60 HydrophobicContact CD1-CE2 4.26Å; I41-Y60 HydrophobicContact CG1-CD2 4.13Å; I41-Y60 HydrophobicContact CG1-CE2 4.09Å; L56-Y60 HydrophobicContact CD1-CD2 4.1Å; L56-Y60 HydrophobicContact CD1-CE2 3.42Å; L56-Y60 VanDerWaalsContact CD1-CE2 3.42Å; L56-Y60 HydrophobicContact CD2-CE2 4.31Å; L56-Y60 HydrophobicContact CG-CD2 4.08Å; L56-Y60 HydrophobicContact CG-CE2 3.59Å; L56-Y60 WeakPolarHBondContact O-CD2 3.23Å; L56-Y60 PolarHBondContact O-N 2.83Å; F57-Y60 PolarHBondContact O-N 3.14Å; L58-Y60 VanDerWaalsContact C-N 3.31Å; L58-Y60 PolarHBondContact O-N 3.02Å; Y60-L62 VanDerWaalsContact C-N 3.29Å; Y60-L62 PolarHBondContact O-N 3.08Å; Y60-Q63 WeakPolarHBondContact O-CB 3.2Å; Y60-Q63 PolarHBondContact O-N 3.5Å; Y60-L64 PolarHBondContact O-N 2.9Å
61L88.9Confident88.3Confident0 Ų052.6 Ų52.60%027%0.272CS..Hα-helixtrans-53.9-44.7178.3-71.2-167.5000112.6M29 F57 L58 Q63 L64 W69 F73M29-L61 HydrophobicContact CE-CD2 3.71Å; F57-L61 HydrophobicContact CD1-CD1 4.14Å; F57-L61 HydrophobicContact CD1-CG 4.4Å; F57-L61 HydrophobicContact CE1-CD1 3.38Å; F57-L61 HydrophobicContact CE1-CG 3.97Å; F57-L61 HydrophobicContact CE2-CD1 4.35Å; F57-L61 HydrophobicContact CE2-CD2 4.25Å; F57-L61 HydrophobicContact CE2-CG 4.25Å; F57-L61 HydrophobicContact CZ-CD1 3.52Å; F57-L61 HydrophobicContact CZ-CD2 4.12Å; F57-L61 HydrophobicContact CZ-CG 3.9Å; F57-L61 PolarHBondContact O-N 3.45Å; L58-L61 PolarHBondContact O-N 2.85Å; L61-Q63 PolarHBondContact O-N 3.14Å; L61-L64 HydrophobicContact CD2-CD1 3.8Å; L61-L64 WeakPolarHBondContact O-CB 3.42Å; L61-L64 PolarHBondContact O-N 3.25Å; L61-L64 VanDerWaalsContact O-N 3.1Å; L61-W69 HydrophobicContact CB-CE3 4.33Å; L61-W69 HydrophobicContact CB-CH2 4.06Å; L61-W69 HydrophobicContact CB-CZ3 3.84Å; L61-W69 HydrophobicContact CD1-CE3 4.41Å; L61-W69 HydrophobicContact CD1-CZ3 4Å; L61-W69 HydrophobicContact CD2-CE3 4.22Å; L61-W69 HydrophobicContact CD2-CZ3 4.49Å; L61-W69 HydrophobicContact CG-CZ3 4.34Å; L61-W69 WeakPolarHBondContact O-CZ2 3.49Å; L61-F73 HydrophobicContact CD1-CB 4.42Å; L61-F73 HydrophobicContact CD1-CD1 4.13Å; L61-F73 HydrophobicContact CD1-CD2 3.85Å; L61-F73 HydrophobicContact CD1-CE1 4.35Å; L61-F73 HydrophobicContact CD1-CE2 4.11Å; L61-F73 HydrophobicContact CD1-CG 3.87Å; L61-F73 HydrophobicContact CD1-CZ 4.35Å
62L87.8Confident88.3Confident26 Ų2649 Ų4914%0.13626%0.255CS..Hα-helixtrans-64.6-21.3-179.8-71.8167.8000113.3R6 L9 L58 Y60R6-L62 HydrophobicContact CG-CD2 3.8Å; R6-L62 VanDerWaalsContact CZ-O 3.24Å; R6-L62 PolarHBondContact NE-O 3.35Å; R6-L62 PolarHBondContact NH2-O 3.48Å; L9-L62 HydrophobicContact CB-CD2 4.33Å; L9-L62 HydrophobicContact CD2-CD2 4.06Å; L9-L62 HydrophobicContact CG-CD2 4.36Å; L58-L62 WeakPolarHBondContact O-CB 3.37Å; L58-L62 WeakPolarHBondContact O-CD1 3.49Å; L58-L62 VanDerWaalsContact O-CG 3.24Å; L58-L62 WeakPolarHBondContact O-CG 3.26Å; L58-L62 PolarHBondContact O-N 2.97Å; Y60-L62 VanDerWaalsContact C-N 3.29Å; Y60-L62 PolarHBondContact O-N 3.08Å
63Q87.4Confident88.4Confident119 Ų11945.8 Ų45.856%0.55624%0.24SC*.Hα-helixtrans-82.8-20.6175.4-71.5171.775.100113.4Q59 Y60 L61 Q65Q59-Q63 WeakPolarHBondContact O-CG 3.38Å; Q59-Q63 PolarHBondContact O-NE2 2.59Å; Y60-Q63 WeakPolarHBondContact O-CB 3.2Å; Y60-Q63 PolarHBondContact O-N 3.5Å; L61-Q63 PolarHBondContact O-N 3.14Å; Q63-Q65 PolarHBondContact O-N 3.37Å
64L86.1Confident88.4Confident26 Ų2646 Ų4614%0.13624%0.242CC..  trans-61.2126.5-176.9-62.7177.8000112.7R6 W32 Y60 L61 W69R6-L64 PolarHBondContact NH2-O 3.18Å; W32-L64 HydrophobicContact CB-CD1 3.98Å; W32-L64 VanDerWaalsContact O-CD2 3.24Å; W32-L64 WeakPolarHBondContact O-CD2 3.37Å; Y60-L64 PolarHBondContact O-N 2.9Å; L61-L64 HydrophobicContact CD2-CD1 3.8Å; L61-L64 WeakPolarHBondContact O-CB 3.42Å; L61-L64 PolarHBondContact O-N 3.25Å; L61-L64 VanDerWaalsContact O-N 3.1Å; L64-W69 VanDerWaalsContact CB-CD1 3.48Å; L64-W69 HydrophobicContact CB-CD2 4.36Å; L64-W69 HydrophobicContact CB-CG 4.08Å; L64-W69 HydrophobicContact CD1-CB 3.93Å; L64-W69 HydrophobicContact CD1-CD2 4.02Å; L64-W69 HydrophobicContact CD1-CG 3.75Å; L64-W69 PolarHBondContact O-NE1 3.2Å
65Q78.4Confident88.3Confident186 Ų18649.2 Ų49.287%0.86926%0.259SS*.  trans-105.9-0.4177.6-57.2-167.713.200113.6Q63Q63-Q65 PolarHBondContact O-N 3.37Å
66T78.4Confident88.4Confident76 Ų7647.8 Ų47.847%0.46625%0.249SC..SBendtrans-73.6155.8173.642.10000111.5
67D76.5Confident88.4Confident134 Ų13446.8 Ų46.872%0.71724%0.244SC*.SBendtrans-83.4165.2171.9-87-51.9000112.4M1 W32 W69M1-D67 PolarHBondContact N-OD1 2.8Å; W32-D67 PolarHBondContact NE1-O 3.45Å; D67-W69 VanDerWaalsContact C-N 3.27Å; D67-W69 PolarHBondContact O-N 3.11Å
68G82.3Confident88.3Confident42 Ų4253.6 Ų53.643%0.43327%0.27SS..SBendtrans81.8-28.6178.500000116.1F70 Q71 A72G68-F70 VanDerWaalsContact C-N 3.27Å; G68-F70 PolarHBondContact O-N 2.7Å; G68-F70 VanDerWaalsContact O-N 3.08Å; G68-Q71 PolarHBondContact O-N 2.67Å; G68-A72 PolarHBondContact O-N 2.87Å; G68-A72 VanDerWaalsContact O-N 3.08Å
69W88.1Confident88.2Confident2 Ų259 Ų591%0.00830%0.295CS..Hα-helixtrans-56.7-35-169.577.5-110.1000114.7M1 L9 W32 L61 L64 D67 A72 F73M1-W69 HydrophobicContact CE-CH2 4.25Å; M1-W69 HydrophobicContact CE-CZ2 3.43Å; M1-W69 VanDerWaalsContact CE-CZ2 3.43Å; M1-W69 HydrophobicContact SD-CH2 3.63Å; M1-W69 HydrophobicContact SD-CZ2 3.34Å; M1-W69 WeakPolarHBondContact SD-CZ2 3.41Å; L9-W69 HydrophobicContact CD2-CH2 3.97Å; L9-W69 HydrophobicContact CD2-CZ3 4.28Å; W32-W69 HydrophobicContact CB-CB 4.43Å; W32-W69 HydrophobicContact CD2-CB 4.33Å; W32-W69 HydrophobicContact CG-CB 3.85Å; L61-W69 HydrophobicContact CB-CE3 4.33Å; L61-W69 HydrophobicContact CB-CH2 4.06Å; L61-W69 HydrophobicContact CB-CZ3 3.84Å; L61-W69 HydrophobicContact CD1-CE3 4.41Å; L61-W69 HydrophobicContact CD1-CZ3 4Å; L61-W69 HydrophobicContact CD2-CE3 4.22Å; L61-W69 HydrophobicContact CD2-CZ3 4.49Å; L61-W69 HydrophobicContact CG-CZ3 4.34Å; L61-W69 WeakPolarHBondContact O-CZ2 3.49Å; L64-W69 VanDerWaalsContact CB-CD1 3.48Å; L64-W69 HydrophobicContact CB-CD2 4.36Å; L64-W69 HydrophobicContact CB-CG 4.08Å; L64-W69 HydrophobicContact CD1-CB 3.93Å; L64-W69 HydrophobicContact CD1-CD2 4.02Å; L64-W69 HydrophobicContact CD1-CG 3.75Å; L64-W69 PolarHBondContact O-NE1 3.2Å; D67-W69 VanDerWaalsContact C-N 3.27Å; D67-W69 PolarHBondContact O-N 3.11Å; W69-A72 PolarHBondContact O-N 2.97Å; W69-F73 HydrophobicContact CE3-CB 4.43Å; W69-F73 WeakPolarHBondContact O-CB 3.48Å; W69-F73 PolarHBondContact O-N 3.24Å
70F89.6Confident88Confident14 Ų1454 Ų546%0.06127%0.274CS..Hα-helixtrans-68.8-34.9-179.7-175.1-91.7000112.3M1 Q5 L9 G68 L74 I89 W92M1-F70 HydrophobicContact CB-CB 4.03Å; M1-F70 HydrophobicContact CG-CB 4Å; M1-F70 HydrophobicContact CG-CD2 4.18Å; M1-F70 HydrophobicContact CG-CG 4.09Å; M1-F70 HydrophobicContact SD-CB 4.29Å; M1-F70 HydrophobicContact SD-CD2 3.87Å; M1-F70 HydrophobicContact SD-CG 4.32Å; Q5-F70 HydrophobicContact CB-CE2 4.41Å; Q5-F70 HydrophobicContact CB-CZ 4.45Å; Q5-F70 HydrophobicContact CG-CE1 4.32Å; Q5-F70 HydrophobicContact CG-CZ 4.35Å; L9-F70 HydrophobicContact CD2-CE2 4.5Å; G68-F70 VanDerWaalsContact C-N 3.27Å; G68-F70 PolarHBondContact O-N 2.7Å; G68-F70 VanDerWaalsContact O-N 3.08Å; F70-L74 HydrophobicContact CD1-CD1 4.3Å; F70-L74 HydrophobicContact CE1-CD1 3.86Å; F70-L74 HydrophobicContact CE1-CG 4.47Å; F70-L74 PolarHBondContact O-N 3.32Å; F70-I89 HydrophobicContact CE2-CG2 4.27Å; F70-I89 HydrophobicContact CZ-CG2 3.89Å; F70-W92 HydrophobicContact CE2-CH2 4.16Å; F70-W92 HydrophobicContact CE2-CZ2 4.26Å; F70-W92 HydrophobicContact CZ-CH2 4.03Å; F70-W92 AromaticContact CZ-CZ2 3.76Å; F70-W92 HydrophobicContact CZ-CZ2 3.76Å
71Q90.2Very high87.9Confident105 Ų10553.1 Ų53.149%0.49128%0.278SS..Hα-helixtrans-70.6-45.7172.1-172.560.849.700110.1G68 F73 L74 D75G68-Q71 PolarHBondContact O-N 2.67Å; Q71-F73 PolarHBondContact O-N 2.83Å; Q71-L74 CarbonylContact O-C 3.58Å; Q71-L74 WeakPolarHBondContact O-CA 3.37Å; Q71-L74 WeakPolarHBondContact O-CB 3.25Å; Q71-L74 PolarHBondContact O-N 3.37Å; Q71-D75 PolarHBondContact NE2-OD1 3.45Å; Q71-D75 PolarHBondContact O-N 3.29Å
72A89.7Confident88.1Confident10 Ų1053.2 Ų53.28%0.08328%0.279CS..Hα-helixtrans-58.7-32.7176.600000113M29 W32 G68 W69 A76M29-A72 HydrophobicContact SD-CB 4.37Å; W32-A72 HydrophobicContact CD2-CB 4.38Å; W32-A72 HydrophobicContact CE3-CB 3.95Å; W32-A72 HydrophobicContact CH2-CB 3.28Å; W32-A72 HydrophobicContact CZ2-CB 3.73Å; W32-A72 HydrophobicContact CZ3-CB 3.39Å; G68-A72 PolarHBondContact O-N 2.87Å; G68-A72 VanDerWaalsContact O-N 3.08Å; W69-A72 PolarHBondContact O-N 2.97Å; A72-A76 WeakPolarHBondContact O-CB 3.26Å; A72-A76 PolarHBondContact O-N 3.29Å
73F93.1Very high88.2Confident0 Ų054.7 Ų54.70%029%0.29CS..Hα-helixtrans-67.1-42.6173173.7-130.7000112.4L9 V16 L20 I25 M29 F57 L61 W69 Q71 L77 I89L9-F73 HydrophobicContact CD1-CE1 4.2Å; V16-F73 HydrophobicContact CG1-CZ 4.38Å; L20-F73 HydrophobicContact CD2-CE2 4.27Å; I25-F73 HydrophobicContact CD1-CD2 4Å; I25-F73 HydrophobicContact CD1-CE2 3.79Å; M29-F73 HydrophobicContact CE-CB 3.93Å; M29-F73 HydrophobicContact SD-CB 4.21Å; F57-F73 HydrophobicContact CE1-CD2 4.11Å; F57-F73 AromaticContact CE1-CE2 3.69Å; F57-F73 HydrophobicContact CE1-CE2 3.69Å; F57-F73 HydrophobicContact CE1-CZ 4.42Å; F57-F73 HydrophobicContact CZ-CD2 4.11Å; F57-F73 HydrophobicContact CZ-CE2 4.13Å; L61-F73 HydrophobicContact CD1-CB 4.42Å; L61-F73 HydrophobicContact CD1-CD1 4.13Å; L61-F73 HydrophobicContact CD1-CD2 3.85Å; L61-F73 HydrophobicContact CD1-CE1 4.35Å; L61-F73 HydrophobicContact CD1-CE2 4.11Å; L61-F73 HydrophobicContact CD1-CG 3.87Å; L61-F73 HydrophobicContact CD1-CZ 4.35Å; W69-F73 HydrophobicContact CE3-CB 4.43Å; W69-F73 WeakPolarHBondContact O-CB 3.48Å; W69-F73 PolarHBondContact O-N 3.24Å; Q71-F73 PolarHBondContact O-N 2.83Å; F73-L77 HydrophobicContact CD2-CD1 4.31Å; F73-L77 HydrophobicContact CD2-CG 4.2Å; F73-L77 HydrophobicContact CE1-CD1 4.16Å; F73-L77 HydrophobicContact CE2-CD1 3.8Å; F73-L77 HydrophobicContact CE2-CD2 4.07Å; F73-L77 HydrophobicContact CE2-CG 3.84Å; F73-L77 HydrophobicContact CZ-CD1 3.73Å; F73-L77 HydrophobicContact CZ-CG 4.29Å; F73-L77 VanDerWaalsContact O-CG 3.31Å; F73-L77 WeakPolarHBondContact O-CG 3.37Å; F73-L77 PolarHBondContact O-N 3.47Å; F73-I89 HydrophobicContact CE1-CD1 3.98Å; F73-I89 HydrophobicContact CZ-CD1 4.13Å
74L92.6Very high88.4Confident5 Ų549.7 Ų49.73%0.02627%0.27CS..Hα-helixtrans-62.6-52171.4-71.6172.8000110.7F70 Q71 A76 L77 Y78 H86 I89F70-L74 HydrophobicContact CD1-CD1 4.3Å; F70-L74 HydrophobicContact CE1-CD1 3.86Å; F70-L74 HydrophobicContact CE1-CG 4.47Å; F70-L74 PolarHBondContact O-N 3.32Å; Q71-L74 CarbonylContact O-C 3.58Å; Q71-L74 WeakPolarHBondContact O-CA 3.37Å; Q71-L74 WeakPolarHBondContact O-CB 3.25Å; Q71-L74 PolarHBondContact O-N 3.37Å; L74-A76 PolarHBondContact O-N 3.01Å; L74-L77 WeakPolarHBondContact O-CB 3.49Å; L74-L77 PolarHBondContact O-N 3.06Å; L74-Y78 PolarHBondContact O-N 2.86Å; L74-H86 PolarHBondContact O-CD2 3.32Å; L74-I89 HydrophobicContact CD2-CB 4.02Å; L74-I89 HydrophobicContact CD2-CG2 3.89Å
75D91.9Very high88.7Confident68 Ų6848.4 Ų48.436%0.36426%0.264SS..Hα-helixtrans-55-41.6178.5-56.2-19.7000111.1Q71 Y78 H79Q71-D75 PolarHBondContact NE2-OD1 3.45Å; Q71-D75 PolarHBondContact O-N 3.29Å; D75-Y78 PolarHBondContact O-N 2.91Å; D75-H79 WeakPolarHBondContact O-CB 3.29Å; D75-H79 PolarHBondContact O-CD2 2.92Å; D75-H79 PolarHBondContact O-N 3.4Å
76A92.9Very high89.4Confident2 Ų240.8 Ų40.82%0.01723%0.228CC..Hα-helixtrans-66.2-42.6175.900000113.1I25 Y28 M29 A72 L74 Y78 H79 A80I25-A76 HydrophobicContact CB-CB 4.1Å; I25-A76 HydrophobicContact CG2-CB 4.19Å; I25-A76 WeakPolarHBondContact CG2-O 3.08Å; Y28-A76 HydrophobicContact CD2-CB 4.29Å; Y28-A76 HydrophobicContact CG-CB 4.15Å; M29-A76 HydrophobicContact CG-CB 4.38Å; M29-A76 HydrophobicContact SD-CB 4Å; A72-A76 WeakPolarHBondContact O-CB 3.26Å; A72-A76 PolarHBondContact O-N 3.29Å; L74-A76 PolarHBondContact O-N 3.01Å; A76-Y78 VanDerWaalsContact C-N 3.34Å; A76-H79 PolarHBondContact O-N 2.69Å; A76-A80 WeakPolarHBondContact O-CB 3.4Å; A76-A80 PolarHBondContact O-N 3.36Å
77L93.7Very high90.1Very high0 Ų041.1 Ų41.10%022%0.224CC..Hα-helixtrans-59.8-45.6173-73.8173.5000110.8L20 I25 F73 L74 A80 G81 Y82 L85 H86 I89L20-L77 HydrophobicContact CD1-CD2 3.83Å; I25-L77 HydrophobicContact CD1-CD2 4.31Å; F73-L77 HydrophobicContact CD2-CD1 4.31Å; F73-L77 HydrophobicContact CD2-CG 4.2Å; F73-L77 HydrophobicContact CE1-CD1 4.16Å; F73-L77 HydrophobicContact CE2-CD1 3.8Å; F73-L77 HydrophobicContact CE2-CD2 4.07Å; F73-L77 HydrophobicContact CE2-CG 3.84Å; F73-L77 HydrophobicContact CZ-CD1 3.73Å; F73-L77 HydrophobicContact CZ-CG 4.29Å; F73-L77 VanDerWaalsContact O-CG 3.31Å; F73-L77 WeakPolarHBondContact O-CG 3.37Å; F73-L77 PolarHBondContact O-N 3.47Å; L74-L77 WeakPolarHBondContact O-CB 3.49Å; L74-L77 PolarHBondContact O-N 3.06Å; L77-A80 PolarHBondContact O-N 2.87Å; L77-G81 PolarHBondContact O-N 3.3Å; L77-Y82 HydrophobicContact CD2-CD2 3.94Å; L77-Y82 HydrophobicContact CD2-CG 3.97Å; L77-Y82 WeakPolarHBondContact O-CA 3.42Å; L77-Y82 WeakPolarHBondContact O-CB 3.5Å; L77-Y82 PolarHBondContact O-N 3.45Å; L77-L85 HydrophobicContact CD1-CG 4.45Å; L77-L85 HydrophobicContact CD2-CD2 4.1Å; L77-H86 HydrophobicContact CB-CB 4.39Å; L77-I89 HydrophobicContact CD1-CD1 3.65Å
78Y91.8Very high90.9Very high143 Ų14334.9 Ų34.956%0.56119%0.192SC*.Hα-helixtrans-60.7-49.2177.2-175.7-97000111.6L74 D75 A76 A80 G81L74-Y78 PolarHBondContact O-N 2.86Å; D75-Y78 PolarHBondContact O-N 2.91Å; A76-Y78 VanDerWaalsContact C-N 3.34Å; Y78-A80 PolarHBondContact O-N 2.91Å; Y78-G81 PolarHBondContact O-N 3.36Å
79H89.2Confident91.3Very high120 Ų12032.9 Ų32.956%0.55617%0.171SC*.Hα-helixtrans-68.1-29.5-179.8-73.1-49.4000114.4Y28 D75 A76 G81Y28-H79 HydrophobicContact CE1-CB 3.93Å; Y28-H79 HydrophobicContact CE2-CB 4.37Å; D75-H79 WeakPolarHBondContact O-CB 3.29Å; D75-H79 PolarHBondContact O-CD2 2.92Å; D75-H79 PolarHBondContact O-N 3.4Å; A76-H79 PolarHBondContact O-N 2.69Å; H79-G81 VanDerWaalsContact C-N 3.27Å
80A88.6Confident91.5Very high14 Ų1438 Ų3812%0.11620%0.195CC..THydrogen-bonded Turntrans-82.1-0.3171.400000113.8I25 A76 L77 Y78 Y82 I132I25-A80 HydrophobicContact CG2-CB 3.45Å; I25-A80 VanDerWaalsContact CG2-CB 3.45Å; A76-A80 WeakPolarHBondContact O-CB 3.4Å; A76-A80 PolarHBondContact O-N 3.36Å; L77-A80 PolarHBondContact O-N 2.87Å; Y78-A80 PolarHBondContact O-N 2.91Å; A80-Y82 HydrophobicContact CB-CD2 4.1Å; A80-I132 WeakPolarHBondContact O-CG2 3.42Å
81G89Confident91.6Very high24 Ų2442.2 Ų42.225%0.24722%0.218CC..THydrogen-bonded Turntrans85.611.4176.400000115.4L77 Y78 H79 C83 K164L77-G81 PolarHBondContact O-N 3.3Å; Y78-G81 PolarHBondContact O-N 3.36Å; H79-G81 VanDerWaalsContact C-N 3.27Å; G81-C83 PolarHBondContact O-N 3.42Å; G81-K164 PolarHBondContact O-NZ 2.83Å
82Y92.4Very high91.7Very high2 Ų240 Ų401%0.00821%0.206CC..  trans-78.448173.6-76.3-74.3000112.4T19 L20 D21 Y24 I25 L77 A80 G84 L85 H86 I132 R161 D163T19-Y82 WeakPolarHBondContact O-CE1 3.39Å; L20-Y82 HydrophobicContact CD1-CD2 4Å; L20-Y82 HydrophobicContact CD1-CE1 4.44Å; L20-Y82 HydrophobicContact CD1-CE2 3.58Å; D21-Y82 PolarHBondContact N-OH 3.23Å; Y24-Y82 HydrophobicContact CD2-CE2 4.39Å; I25-Y82 HydrophobicContact CG2-CD2 4.5Å; L77-Y82 HydrophobicContact CD2-CD2 3.94Å; L77-Y82 HydrophobicContact CD2-CG 3.97Å; L77-Y82 WeakPolarHBondContact O-CA 3.42Å; L77-Y82 WeakPolarHBondContact O-CB 3.5Å; L77-Y82 PolarHBondContact O-N 3.45Å; A80-Y82 HydrophobicContact CB-CD2 4.1Å; Y82-G84 VanDerWaalsContact C-N 3.34Å; Y82-G84 PolarHBondContact O-N 3.1Å; Y82-L85 HydrophobicContact CD1-CD2 4.29Å; Y82-L85 PolarHBondContact O-N 3.01Å; Y82-H86 WeakPolarHBondContact O-CB 3.24Å; Y82-H86 PolarHBondContact O-N 3.32Å; Y82-I132 HydrophobicContact CD1-CD1 3.98Å; Y82-I132 HydrophobicContact CD2-CD1 3.88Å; Y82-I132 HydrophobicContact CE1-CD1 3.55Å; Y82-I132 HydrophobicContact CE2-CD1 3.44Å; Y82-I132 VanDerWaalsContact CE2-CD1 3.44Å; Y82-I132 HydrophobicContact CG-CD1 4.12Å; Y82-R161 PolarHBondContact OH-NH2 2.94Å; Y82-D163 WeakPolarHBondContact CA-OD2 3.15Å
83C90Very high91.7Very high56 Ų5643.1 Ų43.138%0.37822%0.221SC..Hα-helixtrans-60.4-34.3-170.5-49.10000114.9G81 E87 D163G81-C83 PolarHBondContact O-N 3.42Å; C83-E87 PolarHBondContact O-N 2.84Å; C83-D163 PolarHBondContact N-OD2 3.29Å
84G91Very high91.7Very high14 Ų1443.5 Ų43.514%0.14422%0.222CC..Hα-helixtrans-78-34.1177.900000112.1Y82 A88 D163Y82-G84 VanDerWaalsContact C-N 3.34Å; Y82-G84 PolarHBondContact O-N 3.1Å; G84-A88 VanDerWaalsContact O-CB 3.29Å; G84-A88 WeakPolarHBondContact O-CB 3.35Å; G84-A88 PolarHBondContact O-N 3.3Å; G84-D163 WeakPolarHBondContact CA-OD2 3.18Å; G84-D163 PolarHBondContact N-OD2 3.38Å
85L92.9Very high91.5Very high0 Ų049.3 Ų49.30%025%0.249CC..Hα-helixtrans-72.4-33.6172.7-170.861000111.8V16 T19 L20 L77 Y82 I89 F94 I97 D163V16-L85 HydrophobicContact CG1-CD2 4.33Å; V16-L85 HydrophobicContact CG2-CD1 4.28Å; T19-L85 HydrophobicContact CG2-CB 4.44Å; T19-L85 HydrophobicContact CG2-CD1 4.47Å; T19-L85 HydrophobicContact CG2-CD2 3.99Å; L20-L85 HydrophobicContact CB-CD2 4.13Å; L77-L85 HydrophobicContact CD1-CG 4.45Å; L77-L85 HydrophobicContact CD2-CD2 4.1Å; Y82-L85 HydrophobicContact CD1-CD2 4.29Å; Y82-L85 PolarHBondContact O-N 3.01Å; L85-I89 HydrophobicContact CD1-CD1 4.14Å; L85-I89 HydrophobicContact CD1-CG1 4.48Å; L85-I89 HydrophobicContact CG-CD1 3.95Å; L85-I89 WeakPolarHBondContact O-CD1 3.49Å; L85-I89 VanDerWaalsContact O-CG1 3.25Å; L85-I89 WeakPolarHBondContact O-CG1 3.42Å; L85-I89 PolarHBondContact O-N 3.36Å; L85-F94 HydrophobicContact CD1-CE1 4.19Å; L85-I97 HydrophobicContact CD1-CD1 4.05Å; L85-D163 HydrophobicContact CB-CB 4.38Å; L85-D163 PolarHBondContact N-OD2 2.83Å
86H93.9Very high91.3Very high25 Ų2549.7 Ų49.712%0.11625%0.248CC..Hα-helixtrans-58.7-57.7167.7174.4-75.1000111L74 L77 Y82 A88 I89 E90L74-H86 PolarHBondContact O-CD2 3.32Å; L77-H86 HydrophobicContact CB-CB 4.39Å; Y82-H86 WeakPolarHBondContact O-CB 3.24Å; Y82-H86 PolarHBondContact O-N 3.32Å; H86-A88 PolarHBondContact O-N 3.32Å; H86-I89 PolarHBondContact O-N 3.13Å; H86-I89 VanDerWaalsContact O-N 3.15Å; H86-E90 IonicContact CE1-OE2 3.14Å; H86-E90 PolarHBondContact CE1-OE2 2.97Å; H86-E90 IonicContact ND1-OE2 2.65Å; H86-E90 WeakPolarHBondContact O-CB 3.37Å; H86-E90 PolarHBondContact O-N 3.06Å
87E92.6Very high91.1Very high83 Ų8349.8 Ų49.839%0.38825%0.248SC..Hα-helixtrans-53.5-42.5179-169.9-169.9174.300111.5C83 N91 K96C83-E87 PolarHBondContact O-N 2.84Å; E87-N91 WeakPolarHBondContact O-CB 3.25Å; E87-N91 PolarHBondContact O-N 3.07Å; E87-N91 PolarHBondContact O-ND2 2.9Å; E87-K96 IonicContact OE1-NZ 3.56Å; E87-K96 PolarHBondContact OE1-NZ 3.39Å; E87-K96 IonicContact OE2-NZ 3.21Å; E87-K96 PolarHBondContact OE2-NZ 3.44Å
88A92.6Very high90.8Very high4 Ų453.9 Ų53.93%0.03327%0.267CS..Hα-helixtrans-68.9-35.2-179.700000114.2G84 H86 W92 D93 F94 I97G84-A88 VanDerWaalsContact O-CB 3.29Å; G84-A88 WeakPolarHBondContact O-CB 3.35Å; G84-A88 PolarHBondContact O-N 3.3Å; H86-A88 PolarHBondContact O-N 3.32Å; A88-W92 CarbonylContact O-C 3.41Å; A88-W92 WeakPolarHBondContact O-CA 3.42Å; A88-W92 PolarHBondContact O-N 3.02Å; A88-D93 VanDerWaalsContact CA-O 3.29Å; A88-D93 WeakPolarHBondContact CA-O 3.4Å; A88-D93 VanDerWaalsContact CB-O 3.25Å; A88-D93 WeakPolarHBondContact CB-O 3.49Å; A88-D93 PolarHBondContact O-N 2.95Å; A88-F94 HydrophobicContact CB-CD1 3.67Å; A88-F94 HydrophobicContact CB-CE1 3.65Å; A88-F94 HydrophobicContact CB-CG 4.13Å; A88-F94 HydrophobicContact CB-CZ 4.09Å; A88-F94 WeakPolarHBondContact O-CE2 3.25Å; A88-I97 HydrophobicContact CB-CD1 3.93Å
89I92.3Very high90.5Very high0 Ų052.4 Ų52.40%026%0.264CS..Hα-helixtrans-81.2-34.4177.5-64.4164.3000111.3V16 F70 F73 L74 L77 L85 H86 W92 F94V16-I89 HydrophobicContact CG2-CD1 3.94Å; V16-I89 HydrophobicContact CG2-CG1 4.42Å; F70-I89 HydrophobicContact CE2-CG2 4.27Å; F70-I89 HydrophobicContact CZ-CG2 3.89Å; F73-I89 HydrophobicContact CE1-CD1 3.98Å; F73-I89 HydrophobicContact CZ-CD1 4.13Å; L74-I89 HydrophobicContact CD2-CB 4.02Å; L74-I89 HydrophobicContact CD2-CG2 3.89Å; L77-I89 HydrophobicContact CD1-CD1 3.65Å; L85-I89 HydrophobicContact CD1-CD1 4.14Å; L85-I89 HydrophobicContact CD1-CG1 4.48Å; L85-I89 HydrophobicContact CG-CD1 3.95Å; L85-I89 WeakPolarHBondContact O-CD1 3.49Å; L85-I89 VanDerWaalsContact O-CG1 3.25Å; L85-I89 WeakPolarHBondContact O-CG1 3.42Å; L85-I89 PolarHBondContact O-N 3.36Å; H86-I89 PolarHBondContact O-N 3.13Å; H86-I89 VanDerWaalsContact O-N 3.15Å; I89-W92 HydrophobicContact CG2-CH2 4.05Å; I89-W92 HydrophobicContact CG2-CZ3 4.19Å; I89-F94 HydrophobicContact CG1-CE1 4.27Å; I89-F94 HydrophobicContact CG1-CZ 3.88Å
90E92.4Very high90.4Very high109 Ų10946.9 Ų46.951%0.50924%0.238SC..Hα-helixtrans-65-44.3176-177.4177.1-145.400111.7H86H86-E90 IonicContact CE1-OE2 3.14Å; H86-E90 PolarHBondContact CE1-OE2 2.97Å; H86-E90 IonicContact ND1-OE2 2.65Å; H86-E90 WeakPolarHBondContact O-CB 3.37Å; H86-E90 PolarHBondContact O-N 3.06Å
91N91.6Very high90.2Very high103 Ų10347.3 Ų47.355%0.55124%0.238SC*.Hα-helixtrans-97.6-7.5-176.8-62-84.3000114E87 D93E87-N91 WeakPolarHBondContact O-CB 3.25Å; E87-N91 PolarHBondContact O-N 3.07Å; E87-N91 PolarHBondContact O-ND2 2.9Å; N91-D93 PolarHBondContact O-N 3.05Å
92W91.3Very high89.8Confident59 Ų5952.5 Ų52.522%0.22326%0.255CS..  trans56.726.2-171.2-57.1106.9000115.3Q5 N8 L9 F12 F70 A88 I89 F94Q5-W92 HydrophobicContact CB-CZ2 4.35Å; Q5-W92 HydrophobicContact CG-CZ2 4.29Å; N8-W92 HydrophobicContact CB-CD2 3.66Å; N8-W92 HydrophobicContact CB-CE3 3.58Å; N8-W92 HydrophobicContact CB-CG 4.45Å; N8-W92 HydrophobicContact CB-CH2 3.68Å; N8-W92 HydrophobicContact CB-CZ2 3.75Å; N8-W92 HydrophobicContact CB-CZ3 3.6Å; L9-W92 HydrophobicContact CB-CH2 3.98Å; L9-W92 HydrophobicContact CB-CZ3 4.37Å; F12-W92 AromaticContact CD2-CE3 3.75Å; F12-W92 HydrophobicContact CD2-CE3 3.75Å; F12-W92 HydrophobicContact CD2-CZ3 4.28Å; F12-W92 HydrophobicContact CE2-CB 4.48Å; F12-W92 HydrophobicContact CE2-CE3 4.28Å; F70-W92 HydrophobicContact CE2-CH2 4.16Å; F70-W92 HydrophobicContact CE2-CZ2 4.26Å; F70-W92 HydrophobicContact CZ-CH2 4.03Å; F70-W92 AromaticContact CZ-CZ2 3.76Å; F70-W92 HydrophobicContact CZ-CZ2 3.76Å; A88-W92 CarbonylContact O-C 3.41Å; A88-W92 WeakPolarHBondContact O-CA 3.42Å; A88-W92 PolarHBondContact O-N 3.02Å; I89-W92 HydrophobicContact CG2-CH2 4.05Å; I89-W92 HydrophobicContact CG2-CZ3 4.19Å; W92-F94 HydrophobicContact CE3-CE2 4.27Å
93D90.3Very high89.4Confident75 Ų7554.4 Ų54.440%0.40126%0.264SS..  trans-112.1114.5175-175.714.3000112A88 N91 Q95A88-D93 VanDerWaalsContact CA-O 3.29Å; A88-D93 WeakPolarHBondContact CA-O 3.4Å; A88-D93 VanDerWaalsContact CB-O 3.25Å; A88-D93 WeakPolarHBondContact CB-O 3.49Å; A88-D93 PolarHBondContact O-N 2.95Å; N91-D93 PolarHBondContact O-N 3.05Å; D93-Q95 VanDerWaalsContact OD1-CB 3.31Å; D93-Q95 WeakPolarHBondContact OD1-CB 3.27Å; D93-Q95 VanDerWaalsContact OD1-CG 3.22Å; D93-Q95 WeakPolarHBondContact OD1-CG 3.27Å; D93-Q95 PolarHBondContact OD1-N 2.98Å; D93-Q95 PolarHBondContact OD1-NE2 3.36Å; D93-Q95 PolarHBondContact OD2-NE2 2.69Å
94F92.2Very high89.2Confident7 Ų751.9 Ų51.93%0.03125%0.247CC..  trans-103.55-178.9-67.4-94000113.5F12 Y15 L85 A88 I89 W92 K96 I97 E98F12-F94 HydrophobicContact CB-CD2 4.02Å; F12-F94 HydrophobicContact CB-CE1 4.42Å; F12-F94 HydrophobicContact CB-CE2 3.46Å; F12-F94 VanDerWaalsContact CB-CE2 3.46Å; F12-F94 HydrophobicContact CB-CZ 3.7Å; F12-F94 AromaticContact CD1-CD2 3.56Å; F12-F94 HydrophobicContact CD1-CD2 3.56Å; F12-F94 AromaticContact CD1-CE2 3.81Å; F12-F94 HydrophobicContact CD1-CE2 3.81Å; F12-F94 HydrophobicContact CD1-CG 4.34Å; F12-F94 HydrophobicContact CD2-CD2 4.31Å; F12-F94 AromaticContact CD2-CE2 3.82Å; F12-F94 HydrophobicContact CD2-CE2 3.82Å; F12-F94 HydrophobicContact CE1-CD2 4.06Å; F12-F94 AromaticContact CG-CD2 3.7Å; F12-F94 HydrophobicContact CG-CD2 3.7Å; F12-F94 AromaticContact CG-CE2 3.41Å; F12-F94 HydrophobicContact CG-CE2 3.41Å; F12-F94 VanDerWaalsContact CG-CE2 3.41Å; F12-F94 HydrophobicContact CG-CZ 4.18Å; Y15-F94 HydrophobicContact CD1-CB 3.82Å; Y15-F94 AromaticContact CD1-CD1 3.91Å; Y15-F94 HydrophobicContact CD1-CD1 3.91Å; Y15-F94 HydrophobicContact CD1-CG 4.15Å; Y15-F94 HydrophobicContact CD2-CB 4.1Å; Y15-F94 AromaticContact CD2-CD1 3.92Å; Y15-F94 HydrophobicContact CD2-CD1 3.92Å; Y15-F94 HydrophobicContact CD2-CD2 4.46Å; Y15-F94 AromaticContact CD2-CG 3.89Å; Y15-F94 HydrophobicContact CD2-CG 3.89Å; Y15-F94 HydrophobicContact CE1-CB 3.79Å; Y15-F94 HydrophobicContact CE2-CB 4.09Å; Y15-F94 HydrophobicContact CE2-CG 4.3Å; Y15-F94 HydrophobicContact CG-CB 3.97Å; Y15-F94 AromaticContact CG-CD1 3.45Å; Y15-F94 HydrophobicContact CG-CD1 3.45Å; Y15-F94 VanDerWaalsContact CG-CD1 3.45Å; Y15-F94 HydrophobicContact CG-CE1 4.15Å; Y15-F94 AromaticContact CG-CG 3.81Å; Y15-F94 HydrophobicContact CG-CG 3.81Å; L85-F94 HydrophobicContact CD1-CE1 4.19Å; A88-F94 HydrophobicContact CB-CD1 3.67Å; A88-F94 HydrophobicContact CB-CE1 3.65Å; A88-F94 HydrophobicContact CB-CG 4.13Å; A88-F94 HydrophobicContact CB-CZ 4.09Å; A88-F94 WeakPolarHBondContact O-CE2 3.25Å; I89-F94 HydrophobicContact CG1-CE1 4.27Å; I89-F94 HydrophobicContact CG1-CZ 3.88Å; W92-F94 HydrophobicContact CE3-CE2 4.27Å; F94-K96 VanDerWaalsContact C-N 3.27Å; F94-K96 PolarHBondContact O-N 3.44Å; F94-I97 HydrophobicContact CD1-CD1 4.24Å; F94-I97 PolarHBondContact O-N 3.39Å; F94-E98 PolarHBondContact O-N 3.36Å
95Q88.3Confident88.5Confident127 Ų12756 Ų5659%0.59327%0.265SS*.Hα-helixtrans-55.7-37.4-176.2-77170.874.800113.8D93 I97 E98 K99D93-Q95 VanDerWaalsContact OD1-CB 3.31Å; D93-Q95 WeakPolarHBondContact OD1-CB 3.27Å; D93-Q95 VanDerWaalsContact OD1-CG 3.22Å; D93-Q95 WeakPolarHBondContact OD1-CG 3.27Å; D93-Q95 PolarHBondContact OD1-N 2.98Å; D93-Q95 PolarHBondContact OD1-NE2 3.36Å; D93-Q95 PolarHBondContact OD2-NE2 2.69Å; Q95-I97 VanDerWaalsContact C-N 3.3Å; Q95-I97 PolarHBondContact O-N 2.88Å; Q95-E98 PolarHBondContact O-N 2.91Å; Q95-K99 WeakPolarHBondContact O-CG 3.39Å; Q95-K99 PolarHBondContact O-N 3.29Å
96K87.6Confident87.5Confident77 Ų7757.4 Ų57.434%0.33527%0.273SS..Hα-helixtrans-60.3-39.3175.1-69.8176.8163.1172.50112.4E87 F94 E165E87-K96 IonicContact OE1-NZ 3.56Å; E87-K96 PolarHBondContact OE1-NZ 3.39Å; E87-K96 IonicContact OE2-NZ 3.21Å; E87-K96 PolarHBondContact OE2-NZ 3.44Å; F94-K96 VanDerWaalsContact C-N 3.27Å; F94-K96 PolarHBondContact O-N 3.44Å; K96-E165 WeakPolarHBondContact CG-OE2 3.33Å
97I88.4Confident86.9Confident3 Ų356.2 Ų56.22%0.01527%0.267CS..Hα-helixtrans-78.7-35.1-178.2-60.8178.5000110.6Y15 L85 A88 F94 Q95 L100Y15-I97 HydrophobicContact CD1-CG2 4.17Å; L85-I97 HydrophobicContact CD1-CD1 4.05Å; A88-I97 HydrophobicContact CB-CD1 3.93Å; F94-I97 HydrophobicContact CD1-CD1 4.24Å; F94-I97 PolarHBondContact O-N 3.39Å; Q95-I97 VanDerWaalsContact C-N 3.3Å; Q95-I97 PolarHBondContact O-N 2.88Å; I97-L100 WeakPolarHBondContact O-CB 3.48Å; I97-L100 PolarHBondContact O-N 3.4Å; I97-L100 VanDerWaalsContact O-N 3.16Å
98E87.4Confident86.3Confident86 Ų8656.9 Ų56.940%0.40227%0.266SS..Hα-helixtrans-65.6-39.7178.1-169.363-174.300112.2Y15 F94 Q95 L100 E101Y15-E98 HydrophobicContact CE1-CB 4.23Å; Y15-E98 VanDerWaalsContact CE1-OE2 3.26Å; Y15-E98 WeakPolarHBondContact CE1-OE2 3.24Å; F94-E98 PolarHBondContact O-N 3.36Å; Q95-E98 PolarHBondContact O-N 2.91Å; E98-L100 PolarHBondContact O-N 3.44Å; E98-L100 VanDerWaalsContact O-N 3.09Å; E98-E101 WeakPolarHBondContact O-CB 3.49Å; E98-E101 PolarHBondContact O-N 3.48Å
99K86.6Confident84.8Confident112 Ų11265.4 Ų65.449%0.48730%0.297SS..THydrogen-bonded Turntrans-57.8-22.8172.7-67.6174.8-157.2167.60114Q95 E101 H103 E165Q95-K99 WeakPolarHBondContact O-CG 3.39Å; Q95-K99 PolarHBondContact O-N 3.29Å; K99-E101 VanDerWaalsContact C-N 3.3Å; K99-H103 PolarHBondContact O-ND1 3.01Å; K99-H103 VanDerWaalsContact O-ND1 3.17Å; K99-E165 IonicContact NZ-OE1 3.11Å; K99-E165 PolarHBondContact NZ-OE1 3.02Å
100L86.9Confident83.7Confident4 Ų466.5 Ų66.52%0.02130%0.303CS..Hα-helixtrans-76-18.7176.5-64.2175.5000112I97 E98 E102 H103 R104 P168I97-L100 WeakPolarHBondContact O-CB 3.48Å; I97-L100 PolarHBondContact O-N 3.4Å; I97-L100 VanDerWaalsContact O-N 3.16Å; E98-L100 PolarHBondContact O-N 3.44Å; E98-L100 VanDerWaalsContact O-N 3.09Å; L100-E102 VanDerWaalsContact C-N 3.34Å; L100-E102 PolarHBondContact O-N 2.74Å; L100-H103 WeakPolarHBondContact O-CB 3.41Å; L100-H103 PolarHBondContact O-N 3.29Å; L100-H103 VanDerWaalsContact O-N 3.15Å; L100-R104 VanDerWaalsContact O-CG 3.27Å; L100-R104 WeakPolarHBondContact O-CG 3.33Å; L100-R104 PolarHBondContact O-N 2.9Å; L100-P168 HydrophobicContact CD2-CG 3.75Å
101E85.1Confident82.6Confident24 Ų2463.7 Ų63.711%0.11229%0.29CS..Hα-helixtrans-68.5-30.4-174.8-15963.5-149.300112.9E98 K99 R104 L105 R108E98-E101 WeakPolarHBondContact O-CB 3.49Å; E98-E101 PolarHBondContact O-N 3.48Å; K99-E101 VanDerWaalsContact C-N 3.3Å; E101-R104 PolarHBondContact O-N 3.46Å; E101-R104 WeakPolarHBondContact OE2-CD 3.38Å; E101-R104 IonicContact OE2-CZ 2.63Å; E101-R104 IonicContact OE2-NE 3.48Å; E101-R104 IonicContact OE2-NH1 2.67Å; E101-R104 PolarHBondContact OE2-NH1 3.33Å; E101-L105 WeakPolarHBondContact O-CB 3.39Å; E101-L105 WeakPolarHBondContact O-CG 3.3Å; E101-L105 PolarHBondContact O-N 3.34Å; E101-R108 IonicContact OE1-CZ 2.72Å; E101-R108 VanDerWaalsContact OE1-CZ 3.23Å; E101-R108 IonicContact OE1-NH1 2.9Å; E101-R108 PolarHBondContact OE1-NH1 3.16Å; E101-R108 IonicContact OE1-NH2 3.36Å; E101-R108 PolarHBondContact OE1-NH2 3.49Å
102E80.8Confident80.9Confident132 Ų13263 Ų6362%0.61729%0.291SS*.Hα-helixtrans-59.7-46.7169.8-62.3-172.7149.800111.6L100 L105 L106L100-E102 VanDerWaalsContact C-N 3.34Å; L100-E102 PolarHBondContact O-N 2.74Å; E102-L105 PolarHBondContact O-N 2.84Å; E102-L106 PolarHBondContact O-N 2.96Å
103H83.1Confident79.6Confident42 Ų4263.5 Ų63.519%0.19430%0.296CS..Hα-helixtrans-69.2-35.6178.4-6089.3000111.9K99 L100 L106 L107 W167 P168K99-H103 PolarHBondContact O-ND1 3.01Å; K99-H103 VanDerWaalsContact O-ND1 3.17Å; L100-H103 WeakPolarHBondContact O-CB 3.41Å; L100-H103 PolarHBondContact O-N 3.29Å; L100-H103 VanDerWaalsContact O-N 3.15Å; H103-L106 PolarHBondContact O-N 2.83Å; H103-L107 WeakPolarHBondContact O-CB 3.15Å; H103-L107 PolarHBondContact O-N 3.46Å; H103-W167 HydrophobicContact CB-CH2 4.08Å; H103-W167 HydrophobicContact CB-CZ2 4.03Å; H103-P168 HydrophobicContact CB-CB 4.03Å; H103-P168 HydrophobicContact CB-CG 3.66Å; H103-P168 WeakPolarHBondContact CD2-CB 3.39Å
104R87Confident78.8Confident3 Ų359.9 Ų59.91%0.01128%0.277CS..Hα-helixtrans-65.7-40.4171.5-67.7168.5176.2169.7-4.3111.3L100 E101 L107 R108 L160 S162 W167L100-R104 VanDerWaalsContact O-CG 3.27Å; L100-R104 WeakPolarHBondContact O-CG 3.33Å; L100-R104 PolarHBondContact O-N 2.9Å; E101-R104 PolarHBondContact O-N 3.46Å; E101-R104 WeakPolarHBondContact OE2-CD 3.38Å; E101-R104 IonicContact OE2-CZ 2.63Å; E101-R104 IonicContact OE2-NE 3.48Å; E101-R104 IonicContact OE2-NH1 2.67Å; E101-R104 PolarHBondContact OE2-NH1 3.33Å; R104-L107 PolarHBondContact O-N 3.01Å; R104-R108 WeakPolarHBondContact O-CG 3.23Å; R104-R108 PolarHBondContact O-N 3.07Å; R104-L160 HydrophobicContact CB-CD2 3.8Å; R104-L160 WeakPolarHBondContact CD-O 3.46Å; R104-L160 HydrophobicContact CG-CD2 4.22Å; R104-L160 PolarHBondContact NE-O 3.35Å; R104-L160 VanDerWaalsContact NE-O 3.11Å; R104-L160 WeakPolarHBondContact O-CD2 3.42Å; R104-S162 PolarHBondContact NH2-O 3.15Å; R104-W167 HydrophobicContact CG-CZ2 3.95Å
105L75.1Confident77.9Confident102 Ų10262.3 Ų62.353%0.53429%0.287SS..Hα-helixtrans-66.3-39.6175.6-74.4165.8000111.9E101 E102 R109E101-L105 WeakPolarHBondContact O-CB 3.39Å; E101-L105 WeakPolarHBondContact O-CG 3.3Å; E101-L105 PolarHBondContact O-N 3.34Å; E102-L105 PolarHBondContact O-N 2.84Å; L105-R109 WeakPolarHBondContact O-CB 3.34Å; L105-R109 PolarHBondContact O-N 3.5Å
106L73.2Confident77Confident29 Ų2959.8 Ų59.815%0.15229%0.288CS..Hα-helixtrans-61.4-47.1171.2-177.260.7000111.2E102 H103 R109 L110 W186 V188E102-L106 PolarHBondContact O-N 2.96Å; H103-L106 PolarHBondContact O-N 2.83Å; L106-R109 WeakPolarHBondContact O-CB 3.43Å; L106-R109 PolarHBondContact O-N 3Å; L106-R109 VanDerWaalsContact O-N 3.17Å; L106-L110 HydrophobicContact CD1-CD1 3.77Å; L106-L110 HydrophobicContact CD1-CG 4.13Å; L106-L110 HydrophobicContact CG-CD1 3.91Å; L106-L110 WeakPolarHBondContact O-CG 3.35Å; L106-L110 PolarHBondContact O-N 3.46Å; L106-W186 HydrophobicContact CB-CZ3 4.25Å; L106-W186 HydrophobicContact CD2-CD2 4.33Å; L106-W186 HydrophobicContact CD2-CE3 3.82Å; L106-W186 HydrophobicContact CD2-CH2 4.46Å; L106-W186 HydrophobicContact CD2-CZ3 3.89Å; L106-W186 HydrophobicContact CG-CE3 4.07Å; L106-W186 HydrophobicContact CG-CZ3 3.84Å; L106-V188 HydrophobicContact CD2-CG2 3.85Å
107L79.4Confident76.1Confident0 Ų061.7 Ų61.70%029%0.293CS..Hα-helixtrans-65.3-39.9179.5-170.762.3000112.6H103 R104 R109 L110 Q111 F114 V156 L159 L160 W167 L171 W186H103-L107 WeakPolarHBondContact O-CB 3.15Å; H103-L107 PolarHBondContact O-N 3.46Å; R104-L107 PolarHBondContact O-N 3.01Å; L107-R109 VanDerWaalsContact C-N 3.32Å; L107-R109 PolarHBondContact O-N 3.45Å; L107-L110 CarbonylContact O-C 3.6Å; L107-L110 PolarHBondContact O-N 3.03Å; L107-Q111 WeakPolarHBondContact O-CA 3.33Å; L107-Q111 WeakPolarHBondContact O-CB 3.43Å; L107-Q111 PolarHBondContact O-N 2.84Å; L107-F114 HydrophobicContact CD1-CD2 3.74Å; L107-F114 HydrophobicContact CD1-CE2 4.05Å; L107-F114 HydrophobicContact CD1-CG 4.43Å; L107-V156 HydrophobicContact CD1-CG2 4.28Å; L107-V156 HydrophobicContact CD2-CG1 4.19Å; L107-V156 HydrophobicContact CG-CG1 4.05Å; L107-V156 HydrophobicContact CG-CG2 4.44Å; L107-L159 HydrophobicContact CD2-CB 3.68Å; L107-L159 HydrophobicContact CD2-CD1 4.36Å; L107-L160 HydrophobicContact CB-CD2 3.95Å; L107-L160 HydrophobicContact CD2-CD2 4.07Å; L107-L160 HydrophobicContact CD2-CG 4.22Å; L107-L160 HydrophobicContact CG-CD2 4.24Å; L107-W167 HydrophobicContact CB-CH2 4.32Å; L107-W167 HydrophobicContact CD2-CH2 3.91Å; L107-W167 HydrophobicContact CD2-CZ3 4.02Å; L107-L171 HydrophobicContact CD1-CD2 4.47Å; L107-W186 HydrophobicContact CB-CH2 3.96Å; L107-W186 HydrophobicContact CB-CZ3 3.89Å; L107-W186 HydrophobicContact CD1-CH2 4.39Å; L107-W186 HydrophobicContact CD1-CZ3 3.99Å
108R80.1Confident75.6Confident97 Ų9762 Ų6237%0.36630%0.295SS..Hα-helixtrans-58.8-42.2171-72.7175.7-161.1129.75.6111.7E101 R104 Q111 L160E101-R108 IonicContact OE1-CZ 2.72Å; E101-R108 VanDerWaalsContact OE1-CZ 3.23Å; E101-R108 IonicContact OE1-NH1 2.9Å; E101-R108 PolarHBondContact OE1-NH1 3.16Å; E101-R108 IonicContact OE1-NH2 3.36Å; E101-R108 PolarHBondContact OE1-NH2 3.49Å; R104-R108 WeakPolarHBondContact O-CG 3.23Å; R104-R108 PolarHBondContact O-N 3.07Å; R108-Q111 WeakPolarHBondContact O-CB 3.37Å; R108-L160 HydrophobicContact CG-CD1 3.65Å; R108-L160 HydrophobicContact CG-CD2 3.7Å; R108-L160 HydrophobicContact CG-CG 4.35Å
109R61.9Low75.5Confident183 Ų18360.3 Ų60.369%0.69129%0.289SS*.Hα-helixtrans-66.7-36.3178177.9-179.7171.9-163-6112.7L105 L106 L107L105-R109 WeakPolarHBondContact O-CB 3.34Å; L105-R109 PolarHBondContact O-N 3.5Å; L106-R109 WeakPolarHBondContact O-CB 3.43Å; L106-R109 PolarHBondContact O-N 3Å; L106-R109 VanDerWaalsContact O-N 3.17Å; L107-R109 VanDerWaalsContact C-N 3.32Å; L107-R109 PolarHBondContact O-N 3.45Å
110L68.6Low75.5Confident22 Ų2255 Ų5512%0.11527%0.265CS..Hα-helixtrans-92.4-4.7-178.4-63176.5000113.7L106 L107 P112 E113 F114 F182 L185 W186L106-L110 HydrophobicContact CD1-CD1 3.77Å; L106-L110 HydrophobicContact CD1-CG 4.13Å; L106-L110 HydrophobicContact CG-CD1 3.91Å; L106-L110 WeakPolarHBondContact O-CG 3.35Å; L106-L110 PolarHBondContact O-N 3.46Å; L107-L110 CarbonylContact O-C 3.6Å; L107-L110 PolarHBondContact O-N 3.03Å; L110-P112 VanDerWaalsContact C-N 3.32Å; L110-P112 VanDerWaalsContact O-N 3.15Å; L110-E113 PolarHBondContact O-N 3.45Å; L110-F114 PolarHBondContact O-N 3.37Å; L110-F182 HydrophobicContact CB-CE2 3.85Å; L110-F182 HydrophobicContact CB-CZ 3.59Å; L110-F182 HydrophobicContact CD1-CE1 4.43Å; L110-F182 HydrophobicContact CD1-CE2 4.45Å; L110-F182 HydrophobicContact CD1-CZ 3.87Å; L110-F182 HydrophobicContact CG-CZ 4.34Å; L110-L185 HydrophobicContact CD1-CB 4.11Å; L110-L185 WeakPolarHBondContact CD1-O 3.42Å; L110-L185 HydrophobicContact CD2-CB 4.24Å; L110-W186 HydrophobicContact CD1-CE3 4.1Å
111Q69.3Low75.4Confident50 Ų5057.9 Ų57.923%0.23428%0.283CS..Hα-helixtrans-48.7-40.3-176.9-178.4175.118.500114.4L107 R108 E113 F114 K115 V156L107-Q111 WeakPolarHBondContact O-CA 3.33Å; L107-Q111 WeakPolarHBondContact O-CB 3.43Å; L107-Q111 PolarHBondContact O-N 2.84Å; R108-Q111 WeakPolarHBondContact O-CB 3.37Å; Q111-E113 PolarHBondContact O-N 3.01Å; Q111-F114 PolarHBondContact O-N 3Å; Q111-K115 HydrophobicContact CG-CD 4.43Å; Q111-K115 HydrophobicContact CG-CG 4.41Å; Q111-K115 WeakPolarHBondContact O-CB 3.21Å; Q111-K115 WeakPolarHBondContact O-CG 3.12Å; Q111-K115 PolarHBondContact O-N 2.89Å; Q111-V156 HydrophobicContact CB-CG1 4.3Å; Q111-V156 HydrophobicContact CG-CB 4.44Å; Q111-V156 HydrophobicContact CG-CG1 3.86Å; Q111-V156 HydrophobicContact CG-CG2 4.49Å
112P57.5Low75.4Confident88 Ų8860.2 Ų60.257%0.57130%0.297SS*.Hα-helixtrans-63.8-39.5176.4-23.235.4000113.5L110 A116L110-P112 VanDerWaalsContact C-N 3.32Å; L110-P112 VanDerWaalsContact O-N 3.15Å; P112-A116 WeakPolarHBondContact O-CB 3.4Å; P112-A116 PolarHBondContact O-N 3.44Å
113E63.2Low75.7Confident70 Ų7054.2 Ų54.233%0.32727%0.269SS..Hα-helixtrans-76.5-32.4176.5-61.8-138.5139.200111.8L110 Q111 A116 R117 F182 L185L110-E113 PolarHBondContact O-N 3.45Å; Q111-E113 PolarHBondContact O-N 3.01Å; E113-A116 PolarHBondContact O-N 2.99Å; E113-R117 WeakPolarHBondContact O-CB 3.35Å; E113-R117 PolarHBondContact O-N 3.32Å; E113-R117 IonicContact OE1-CZ 3.78Å; E113-R117 IonicContact OE1-NH1 3.96Å; E113-R117 IonicContact OE1-NH2 3.55Å; E113-R117 PolarHBondContact OE1-NH2 3.4Å; E113-R117 IonicContact OE2-CZ 2.62Å; E113-R117 VanDerWaalsContact OE2-CZ 3.29Å; E113-R117 IonicContact OE2-NH1 3.87Å; E113-R117 PolarHBondContact OE2-NH1 3.46Å; E113-R117 IonicContact OE2-NH2 2.88Å; E113-R117 PolarHBondContact OE2-NH2 3.41Å; E113-F182 HydrophobicContact CB-CD2 4.19Å; E113-F182 HydrophobicContact CB-CE2 4.05Å; E113-L185 WeakPolarHBondContact OE2-CD1 3.47Å
114F72.6Confident76Confident0 Ų052.4 Ų52.40%026%0.261CS..Hα-helixtrans-61.2-52.7174-165.3-74.1000110.5L107 L110 Q111 A116 R117 I118 I123 A152 V156 L171 F182L107-F114 HydrophobicContact CD1-CD2 3.74Å; L107-F114 HydrophobicContact CD1-CE2 4.05Å; L107-F114 HydrophobicContact CD1-CG 4.43Å; L110-F114 PolarHBondContact O-N 3.37Å; Q111-F114 PolarHBondContact O-N 3Å; F114-A116 PolarHBondContact O-N 3.34Å; F114-R117 PolarHBondContact O-N 2.76Å; F114-I118 HydrophobicContact CB-CG1 4.45Å; F114-I118 HydrophobicContact CD1-CB 3.94Å; F114-I118 HydrophobicContact CD1-CG1 3.87Å; F114-I118 HydrophobicContact CD1-CG2 4.41Å; F114-I118 HydrophobicContact CD2-CG1 3.86Å; F114-I118 HydrophobicContact CE1-CB 3.86Å; F114-I118 HydrophobicContact CE1-CG1 4.01Å; F114-I118 HydrophobicContact CE1-CG2 3.82Å; F114-I118 HydrophobicContact CE2-CG1 3.99Å; F114-I118 HydrophobicContact CG-CB 4.38Å; F114-I118 HydrophobicContact CG-CG1 3.79Å; F114-I118 HydrophobicContact CZ-CB 4.23Å; F114-I118 HydrophobicContact CZ-CG1 4.07Å; F114-I118 HydrophobicContact CZ-CG2 3.91Å; F114-I118 WeakPolarHBondContact O-CB 3.35Å; F114-I118 WeakPolarHBondContact O-CG1 3.31Å; F114-I118 PolarHBondContact O-N 3.33Å; F114-I123 HydrophobicContact CZ-CD1 4.23Å; F114-A152 HydrophobicContact CD1-CB 4.36Å; F114-V156 HydrophobicContact CB-CG2 4.21Å; F114-V156 HydrophobicContact CD1-CG2 3.38Å; F114-V156 HydrophobicContact CD2-CG2 4.31Å; F114-V156 HydrophobicContact CE1-CG2 3.73Å; F114-V156 HydrophobicContact CG-CG2 3.71Å; F114-V156 HydrophobicContact CZ-CG2 4.34Å; F114-L171 HydrophobicContact CE2-CD1 4.12Å; F114-L171 HydrophobicContact CE2-CD2 4.26Å; F114-L171 HydrophobicContact CZ-CD1 4.36Å; F114-F182 HydrophobicContact CB-CE2 3.85Å; F114-F182 HydrophobicContact CB-CZ 3.9Å; F114-F182 HydrophobicContact CD2-CD1 4.35Å; F114-F182 AromaticContact CD2-CE1 3.66Å; F114-F182 HydrophobicContact CD2-CE1 3.66Å; F114-F182 HydrophobicContact CD2-CE2 4.27Å; F114-F182 AromaticContact CD2-CZ 3.6Å; F114-F182 HydrophobicContact CD2-CZ 3.6Å; F114-F182 HydrophobicContact CE2-CE1 4.31Å; F114-F182 HydrophobicContact CG-CZ 4.23Å
115K74.5Confident75.8Confident57 Ų5755.4 Ų55.425%0.24828%0.282CS..Hα-helixtrans-55.6-32.1175.6-73.3-178.9-175.2-166.90113.3Q111 E153Q111-K115 HydrophobicContact CG-CD 4.43Å; Q111-K115 HydrophobicContact CG-CG 4.41Å; Q111-K115 WeakPolarHBondContact O-CB 3.21Å; Q111-K115 WeakPolarHBondContact O-CG 3.12Å; Q111-K115 PolarHBondContact O-N 2.89Å; K115-E153 HydrophobicContact CD-CB 4.33Å; K115-E153 WeakPolarHBondContact CE-OE1 3.16Å; K115-E153 WeakPolarHBondContact CE-OE2 3.16Å; K115-E153 HydrophobicContact CG-CB 4.36Å; K115-E153 IonicContact NZ-OE1 2.68Å; K115-E153 PolarHBondContact NZ-OE1 3.31Å; K115-E153 IonicContact NZ-OE2 3.32Å; K115-E153 PolarHBondContact NZ-OE2 3.31Å
116A68Low76.3Confident75 Ų7553.5 Ų53.562%0.6227%0.27SS*.Hα-helixtrans-92-18.8-17400000114.9P112 E113 F114P112-A116 WeakPolarHBondContact O-CB 3.4Å; P112-A116 PolarHBondContact O-N 3.44Å; E113-A116 PolarHBondContact O-N 2.99Å; F114-A116 PolarHBondContact O-N 3.34Å
117R70.3Confident77Confident116 Ų11652.1 Ų52.144%0.43826%0.263SS..Hα-helixtrans-127.6-11.3-174-60.8-167.2-169.3127.518.7115.7E113 F114 N180E113-R117 WeakPolarHBondContact O-CB 3.35Å; E113-R117 PolarHBondContact O-N 3.32Å; E113-R117 IonicContact OE1-CZ 3.78Å; E113-R117 IonicContact OE1-NH1 3.96Å; E113-R117 IonicContact OE1-NH2 3.55Å; E113-R117 PolarHBondContact OE1-NH2 3.4Å; E113-R117 IonicContact OE2-CZ 2.62Å; E113-R117 VanDerWaalsContact OE2-CZ 3.29Å; E113-R117 IonicContact OE2-NH1 3.87Å; E113-R117 PolarHBondContact OE2-NH1 3.46Å; E113-R117 IonicContact OE2-NH2 2.88Å; E113-R117 PolarHBondContact OE2-NH2 3.41Å; F114-R117 PolarHBondContact O-N 2.76Å; R117-N180 PolarHBondContact O-ND2 3.36Å
118I78.2Confident77.1Confident9 Ų954.4 Ų54.45%0.04628%0.279CS..  trans-101.1124.5179.4-53.9-50.2000109.9F114 I123 L175 F182F114-I118 HydrophobicContact CB-CG1 4.45Å; F114-I118 HydrophobicContact CD1-CB 3.94Å; F114-I118 HydrophobicContact CD1-CG1 3.87Å; F114-I118 HydrophobicContact CD1-CG2 4.41Å; F114-I118 HydrophobicContact CD2-CG1 3.86Å; F114-I118 HydrophobicContact CE1-CB 3.86Å; F114-I118 HydrophobicContact CE1-CG1 4.01Å; F114-I118 HydrophobicContact CE1-CG2 3.82Å; F114-I118 HydrophobicContact CE2-CG1 3.99Å; F114-I118 HydrophobicContact CG-CB 4.38Å; F114-I118 HydrophobicContact CG-CG1 3.79Å; F114-I118 HydrophobicContact CZ-CB 4.23Å; F114-I118 HydrophobicContact CZ-CG1 4.07Å; F114-I118 HydrophobicContact CZ-CG2 3.91Å; F114-I118 WeakPolarHBondContact O-CB 3.35Å; F114-I118 WeakPolarHBondContact O-CG1 3.31Å; F114-I118 PolarHBondContact O-N 3.33Å; I118-I123 HydrophobicContact CG2-CD1 3.5Å; I118-I123 VanDerWaalsContact CG2-CD1 3.5Å; I118-I123 HydrophobicContact CG2-CG1 4.09Å; I118-L175 HydrophobicContact CD1-CD2 3.33Å; I118-L175 HydrophobicContact CG1-CD2 4.22Å; I118-F182 HydrophobicContact CD1-CB 3.76Å; I118-F182 HydrophobicContact CD1-CD1 4.24Å; I118-F182 HydrophobicContact CD1-CG 3.96Å; I118-F182 HydrophobicContact CG1-CG 4.46Å
119N83.4Confident77.1Confident52 Ų5256.8 Ų56.828%0.27829%0.294SS..  trans-89.2116164.5-176.522.5000108.9T121 D122 M148N119-T121 VanDerWaalsContact C-N 3.3Å; N119-T121 PolarHBondContact ND2-OG1 3.43Å; N119-T121 PolarHBondContact O-N 2.89Å; N119-T121 PolarHBondContact OD1-OG1 2.98Å; N119-D122 WeakPolarHBondContact CB-OD2 3.37Å; N119-D122 PolarHBondContact ND2-OD1 3.43Å; N119-D122 PolarHBondContact ND2-OD2 2.83Å; N119-D122 PolarHBondContact O-N 3.32Å; N119-M148 VanDerWaalsContact OD1-CG 3.31Å; N119-M148 WeakPolarHBondContact OD1-CG 3.48Å
120P86.9Confident78.3Confident0 Ų048.1 Ų48.10%026%0.261CS..Hα-helixtrans-65-32.5-173.4-21.432.6000113.4D122 L124 I139 G151 A152 M155P120-D122 PolarHBondContact O-N 3.44Å; P120-D122 VanDerWaalsContact O-N 3.08Å; P120-L124 WeakPolarHBondContact O-CB 3.42Å; P120-L124 PolarHBondContact O-N 3.48Å; P120-I139 HydrophobicContact CB-CG2 4.02Å; P120-G151 VanDerWaalsContact CG-C 3.45Å; P120-A152 HydrophobicContact CG-CB 3.83Å; P120-M155 HydrophobicContact CB-SD 3.95Å
121T85.6Confident79.3Confident64 Ų6447.6 Ų47.639%0.39326%0.259SS..Hα-helixtrans-59.2-27.5-173.850.30000113.4N119 C143 M148N119-T121 VanDerWaalsContact C-N 3.3Å; N119-T121 PolarHBondContact ND2-OG1 3.43Å; N119-T121 PolarHBondContact O-N 2.89Å; N119-T121 PolarHBondContact OD1-OG1 2.98Å; T121-C143 HydrophobicContact CG2-CB 4.29Å; T121-M148 HydrophobicContact CG2-CE 3.86Å; T121-M148 HydrophobicContact CG2-SD 4.11Å
122D84.8Confident80.2Confident74 Ų7445.8 Ų45.840%0.39625%0.251SS..Hα-helixtrans-87.1-47.5-167.1-49.5-14.7000108.7N119 P120 S125N119-D122 WeakPolarHBondContact CB-OD2 3.37Å; N119-D122 PolarHBondContact ND2-OD1 3.43Å; N119-D122 PolarHBondContact ND2-OD2 2.83Å; N119-D122 PolarHBondContact O-N 3.32Å; P120-D122 PolarHBondContact O-N 3.44Å; P120-D122 VanDerWaalsContact O-N 3.08Å; D122-S125 PolarHBondContact O-OG 3.36Å
123I88.2Confident81.6Confident6 Ų647.7 Ų47.73%0.03126%0.256CS..Hα-helixtrans-81.7-16.9176.860.7160.4000115.1F114 I118 S125 E126 M127 M155 L171 A174 E178F114-I123 HydrophobicContact CZ-CD1 4.23Å; I118-I123 HydrophobicContact CG2-CD1 3.5Å; I118-I123 VanDerWaalsContact CG2-CD1 3.5Å; I118-I123 HydrophobicContact CG2-CG1 4.09Å; I123-S125 PolarHBondContact O-N 3.21Å; I123-S125 VanDerWaalsContact O-N 3.14Å; I123-E126 PolarHBondContact O-N 2.98Å; I123-M127 WeakPolarHBondContact O-CB 3.25Å; I123-M127 WeakPolarHBondContact O-CG 3.5Å; I123-M127 PolarHBondContact O-N 3.47Å; I123-M155 HydrophobicContact CD1-CE 3.63Å; I123-M155 HydrophobicContact CD1-SD 3.81Å; I123-M155 HydrophobicContact CG1-CE 3.9Å; I123-M155 HydrophobicContact CG1-SD 4.11Å; I123-L171 HydrophobicContact CD1-CD1 4.16Å; I123-A174 HydrophobicContact CB-CB 4.04Å; I123-A174 HydrophobicContact CG2-CB 3.99Å; I123-E178 HydrophobicContact CG2-CG 4.07Å
124L87.8Confident82.7Confident4 Ų449 Ų492%0.02126%0.262CS..THydrogen-bonded Turntrans-66.7-14.6-177.2-175.263.2000113.8P120 S128 L131 C136 I139 R140 M155P120-L124 WeakPolarHBondContact O-CB 3.42Å; P120-L124 PolarHBondContact O-N 3.48Å; L124-S128 PolarHBondContact O-N 3.03Å; L124-L131 HydrophobicContact CD1-CD1 3.88Å; L124-C136 HydrophobicContact CD1-CB 4.2Å; L124-I139 HydrophobicContact CD1-CD1 4.3Å; L124-I139 HydrophobicContact CD2-CB 4.21Å; L124-I139 HydrophobicContact CD2-CG2 3.88Å; L124-R140 HydrophobicContact CD2-CG 3.62Å; L124-M155 HydrophobicContact CD1-CE 4.27Å
125S82.9Confident83.6Confident66 Ų6649.2 Ų49.246%0.46226%0.263SS..THydrogen-bonded Turntrans-65.7-58.8170.955.50000111.1D122 I123 S128D122-S125 PolarHBondContact O-OG 3.36Å; I123-S125 PolarHBondContact O-N 3.21Å; I123-S125 VanDerWaalsContact O-N 3.14Å; S125-S128 WeakPolarHBondContact O-CB 3.22Å; S125-S128 PolarHBondContact O-N 3.43Å; S125-S128 PolarHBondContact O-OG 2.72Å
126E86.1Confident84.3Confident62 Ų6246.7 Ų46.729%0.2925%0.252SS..G310 helixtrans-62.8-40.2176.2-54.1-63151.500112I123 S128 V170 A174 K177I123-E126 PolarHBondContact O-N 2.98Å; E126-S128 PolarHBondContact O-N 3.49Å; E126-V170 WeakPolarHBondContact O-CG1 3.29Å; E126-A174 HydrophobicContact CB-CB 3.89Å; E126-A174 HydrophobicContact CG-CB 4.21Å; E126-K177 HydrophobicContact CG-CD 4.33Å; E126-K177 IonicContact OE1-NZ 2.73Å; E126-K177 PolarHBondContact OE1-NZ 2.98Å
127M88.3Confident85.2Confident0 Ų049 Ų490%025%0.251CS..G310 helixtrans-75.2-0.1-177.3-65.2-57.3-62.900114.7I123 E129 C130 L131 M155 L159 V170 L171 A174I123-M127 WeakPolarHBondContact O-CB 3.25Å; I123-M127 WeakPolarHBondContact O-CG 3.5Å; I123-M127 PolarHBondContact O-N 3.47Å; M127-E129 VanDerWaalsContact C-N 3.33Å; M127-E129 PolarHBondContact O-N 2.86Å; M127-C130 HydrophobicContact CE-CB 3.9Å; M127-C130 PolarHBondContact O-N 3.3Å; M127-C130 VanDerWaalsContact O-N 3.1Å; M127-L131 PolarHBondContact O-N 2.76Å; M127-M155 HydrophobicContact CB-CE 3.6Å; M127-M155 HydrophobicContact CG-CE 3.58Å; M127-L159 HydrophobicContact CE-CD1 4.25Å; M127-L159 HydrophobicContact CE-CD2 3.38Å; M127-L159 HydrophobicContact CE-CG 4.46Å; M127-V170 HydrophobicContact SD-CB 4.17Å; M127-V170 HydrophobicContact SD-CG1 3.76Å; M127-L171 HydrophobicContact CE-CB 3.81Å; M127-L171 HydrophobicContact CE-CD1 4.14Å; M127-L171 HydrophobicContact CG-CD1 4.5Å; M127-L171 WeakPolarHBondContact SD-CA 3.46Å; M127-L171 HydrophobicContact SD-CB 3.91Å; M127-L171 HydrophobicContact SD-CD1 4.06Å; M127-L171 PolarHBondContact SD-N 2.92Å; M127-L171 VanDerWaalsContact SD-N 3.4Å; M127-A174 HydrophobicContact CG-CB 4.45Å; M127-A174 HydrophobicContact SD-CB 4.4Å
128S81.8Confident86.1Confident48 Ų4845.5 Ų45.534%0.33624%0.239SC..G310 helixtrans-67.6-26-177.161.50000114.4L124 S125 E126 C130L124-S128 PolarHBondContact O-N 3.03Å; S125-S128 WeakPolarHBondContact O-CB 3.22Å; S125-S128 PolarHBondContact O-N 3.43Å; S125-S128 PolarHBondContact O-OG 2.72Å; E126-S128 PolarHBondContact O-N 3.49Å; S128-C130 VanDerWaalsContact C-N 3.27Å; S128-C130 PolarHBondContact O-N 3.39Å
129E80.1Confident86.7Confident147 Ų14745.1 Ų45.169%0.68724%0.237SC*.G310 helixtrans-77.2-13.4172.6-61.4-168.3164.600113.4M127M127-E129 VanDerWaalsContact C-N 3.33Å; M127-E129 PolarHBondContact O-N 2.86Å
130C86.8Confident87Confident0 Ų048.7 Ų48.70%025%0.247CC..SBendtrans-106.2-2.5-172.7-66.60000114.1M127 S128 S162 W167 V170M127-C130 HydrophobicContact CE-CB 3.9Å; M127-C130 PolarHBondContact O-N 3.3Å; M127-C130 VanDerWaalsContact O-N 3.1Å; S128-C130 VanDerWaalsContact C-N 3.27Å; S128-C130 PolarHBondContact O-N 3.39Å; C130-S162 PolarHBondContact O-OG 2.94Å; C130-W167 HydrophobicContact CB-CB 3.67Å; C130-V170 VanDerWaalsContact SG-CB 3.59Å; C130-V170 VanDerWaalsContact SG-CG2 3.59Å
131L89.6Confident87.2Confident11 Ų1155 Ų556%0.05828%0.276CS..SBendtrans-127.8166.1-178.8-68.4176.9000109.5L124 M127 I139 M155 C158 L159L124-L131 HydrophobicContact CD1-CD1 3.88Å; M127-L131 PolarHBondContact O-N 2.76Å; L131-I139 HydrophobicContact CD1-CD1 3.87Å; L131-M155 HydrophobicContact CD1-CE 4.36Å; L131-C158 HydrophobicContact CD2-CB 3.68Å; L131-L159 HydrophobicContact CD2-CD2 3.68Å; L131-L159 HydrophobicContact CD2-CG 4.03Å; L131-L159 HydrophobicContact CG-CD2 4.17Å
132I88.8Confident87.3Confident13 Ų1353.5 Ų53.57%0.06727%0.265CS..  trans-80142.5172.2-68169.2000109.4Y24 A80 Y82 Q134 E135 C136Y24-I132 HydrophobicContact CD2-CD1 4.19Å; A80-I132 WeakPolarHBondContact O-CG2 3.42Å; Y82-I132 HydrophobicContact CD1-CD1 3.98Å; Y82-I132 HydrophobicContact CD2-CD1 3.88Å; Y82-I132 HydrophobicContact CE1-CD1 3.55Å; Y82-I132 HydrophobicContact CE2-CD1 3.44Å; Y82-I132 VanDerWaalsContact CE2-CD1 3.44Å; Y82-I132 HydrophobicContact CG-CD1 4.12Å; I132-Q134 HydrophobicContact CG2-CB 4.26Å; I132-Q134 PolarHBondContact O-N 3.21Å; I132-Q134 VanDerWaalsContact O-N 3.13Å; I132-E135 HydrophobicContact CB-CB 4.35Å; I132-E135 HydrophobicContact CB-CG 4.05Å; I132-E135 PolarHBondContact N-OE2 3.31Å; I132-E135 WeakPolarHBondContact O-CA 3.31Å; I132-E135 WeakPolarHBondContact O-CB 3.26Å; I132-E135 PolarHBondContact O-N 3.19Å; I132-C136 PolarHBondContact O-N 3.16Å
133N85.1Confident87.3Confident128 Ų12850.3 Ų50.368%0.68425%0.249SC*.Hα-helixtrans-49.8-43.2-179.8-72.8-47.1000112.8C136 E137N133-C136 WeakPolarHBondContact O-CB 3.48Å; N133-C136 PolarHBondContact O-N 3.21Å; N133-E137 PolarHBondContact O-N 3.29Å; N133-E137 VanDerWaalsContact O-N 3.09Å
134Q86.8Confident87.1Confident98 Ų9859 Ų5946%0.45829%0.287SS..Hα-helixtrans-68.1-34177.5-169.3169.7-6.900112.9Y24 I132 E137 E138Y24-Q134 HydrophobicContact CD1-CB 4.4Å; Y24-Q134 VanDerWaalsContact CD1-CD 3.43Å; Y24-Q134 HydrophobicContact CD1-CG 4.08Å; Y24-Q134 HydrophobicContact CE1-CB 4.36Å; Y24-Q134 HydrophobicContact CE1-CG 3.87Å; I132-Q134 HydrophobicContact CG2-CB 4.26Å; I132-Q134 PolarHBondContact O-N 3.21Å; I132-Q134 VanDerWaalsContact O-N 3.13Å; Q134-E137 PolarHBondContact O-N 2.81Å; Q134-E138 PolarHBondContact O-N 3.2Å
135E90.8Very high86.8Confident4 Ų463 Ų632%0.01931%0.311CS..Hα-helixtrans-66.6-38.6171.6-67.8-179.6139.800111.1Y24 I132 E137 E138 I139 C158 R161Y24-E135 HydrophobicContact CE2-CG 3.62Å; I132-E135 HydrophobicContact CB-CB 4.35Å; I132-E135 HydrophobicContact CB-CG 4.05Å; I132-E135 PolarHBondContact N-OE2 3.31Å; I132-E135 WeakPolarHBondContact O-CA 3.31Å; I132-E135 WeakPolarHBondContact O-CB 3.26Å; I132-E135 PolarHBondContact O-N 3.19Å; E135-E137 VanDerWaalsContact C-N 3.32Å; E135-E137 PolarHBondContact O-N 2.95Å; E135-E138 PolarHBondContact O-N 3.05Å; E135-I139 WeakPolarHBondContact O-CB 3.24Å; E135-I139 WeakPolarHBondContact O-CD1 3.26Å; E135-I139 WeakPolarHBondContact O-CG1 3.38Å; E135-I139 PolarHBondContact O-N 2.95Å; E135-C158 HydrophobicContact CB-CB 4.28Å; E135-C158 HydrophobicContact CG-CB 4.35Å; E135-C158 PolarHBondContact OE1-SG 3.27Å; E135-C158 VanDerWaalsContact OE1-SG 3.34Å; E135-R161 IonicContact OE1-CZ 3.97Å; E135-R161 IonicContact OE1-NE 2.67Å; E135-R161 PolarHBondContact OE1-NE 2.96Å; E135-R161 IonicContact OE1-NH2 2.67Å; E135-R161 PolarHBondContact OE1-NH2 3.12Å
136C89.3Confident86.6Confident3 Ų367.3 Ų67.32%0.0232%0.322CS..Hα-helixtrans-63-36.8173.7-61.80000112.6L124 I132 N133 R140L124-C136 HydrophobicContact CD1-CB 4.2Å; I132-C136 PolarHBondContact O-N 3.16Å; N133-C136 WeakPolarHBondContact O-CB 3.48Å; N133-C136 PolarHBondContact O-N 3.21Å; C136-R140 VanDerWaalsContact O-CG 3.31Å; C136-R140 WeakPolarHBondContact O-CG 3.28Å; C136-R140 PolarHBondContact O-N 3.17Å; C136-R140 VanDerWaalsContact O-N 3.14Å
137E88.6Confident86.1Confident125 Ų12565.8 Ų65.858%0.58432%0.323SS*.Hα-helixtrans-70.9-43.3174.6-70.1-178.1175.100112.1N133 Q134 E135 I139 R140 Q141N133-E137 PolarHBondContact O-N 3.29Å; N133-E137 VanDerWaalsContact O-N 3.09Å; Q134-E137 PolarHBondContact O-N 2.81Å; E135-E137 VanDerWaalsContact C-N 3.32Å; E135-E137 PolarHBondContact O-N 2.95Å; E137-I139 VanDerWaalsContact C-N 3.35Å; E137-I139 PolarHBondContact O-N 3.33Å; E137-R140 PolarHBondContact O-N 2.9Å; E137-Q141 WeakPolarHBondContact O-CB 3.3Å; E137-Q141 PolarHBondContact O-N 2.99Å
138E89.3Confident85.6Confident42 Ų4269.8 Ų69.820%0.19634%0.343CS..Hα-helixtrans-55.5-46.9171.5-78.8-174.9-148.700111.5Y24 Q134 E135 Q141 I142 K154Y24-E138 WeakPolarHBondContact CE1-OE1 3.2Å; Y24-E138 VanDerWaalsContact OH-CD 3.29Å; Y24-E138 PolarHBondContact OH-OE1 3.44Å; Y24-E138 PolarHBondContact OH-OE2 3Å; Q134-E138 PolarHBondContact O-N 3.2Å; E135-E138 PolarHBondContact O-N 3.05Å; E138-Q141 PolarHBondContact O-N 2.95Å; E138-I142 WeakPolarHBondContact O-CB 3.31Å; E138-I142 WeakPolarHBondContact O-CD1 3.24Å; E138-I142 VanDerWaalsContact O-CG1 3.26Å; E138-I142 WeakPolarHBondContact O-CG1 3.39Å; E138-I142 PolarHBondContact O-N 3.25Å; E138-K154 WeakPolarHBondContact OE2-CE 3.44Å; E138-K154 IonicContact OE2-NZ 3.14Å; E138-K154 PolarHBondContact OE2-NZ 3.44Å; E138-K154 VanDerWaalsContact OE2-NZ 3.11Å
139I90.3Very high85.1Confident0 Ų074.2 Ų74.20%036%0.36CS..Hα-helixtrans-61.7-46.3179.3-67.6159.9000110.9P120 L124 L131 E135 E137 Q141 I142 C143 K154 M155P120-I139 HydrophobicContact CB-CG2 4.02Å; L124-I139 HydrophobicContact CD1-CD1 4.3Å; L124-I139 HydrophobicContact CD2-CB 4.21Å; L124-I139 HydrophobicContact CD2-CG2 3.88Å; L131-I139 HydrophobicContact CD1-CD1 3.87Å; E135-I139 WeakPolarHBondContact O-CB 3.24Å; E135-I139 WeakPolarHBondContact O-CD1 3.26Å; E135-I139 WeakPolarHBondContact O-CG1 3.38Å; E135-I139 PolarHBondContact O-N 2.95Å; E137-I139 VanDerWaalsContact C-N 3.35Å; E137-I139 PolarHBondContact O-N 3.33Å; I139-Q141 PolarHBondContact O-N 3.36Å; I139-I142 PolarHBondContact O-N 2.94Å; I139-C143 WeakPolarHBondContact O-CB 3.33Å; I139-C143 PolarHBondContact O-N 3.18Å; I139-C143 PolarHBondContact O-SG 2.94Å; I139-K154 HydrophobicContact CG1-CB 4.24Å; I139-K154 HydrophobicContact CG1-CG 3.77Å; I139-M155 HydrophobicContact CD1-CB 4.05Å; I139-M155 HydrophobicContact CD1-CG 4.16Å; I139-M155 HydrophobicContact CG1-CB 4.46Å; I139-M155 HydrophobicContact CG2-CB 4.41Å
140R89.6Confident84.9Confident128 Ų12868.7 Ų68.748%0.48334%0.339SS..Hα-helixtrans-59.5-44.8175.7-71.2170.4-169.81424.7111.8L124 C136 E137 C143 F144L124-R140 HydrophobicContact CD2-CG 3.62Å; C136-R140 VanDerWaalsContact O-CG 3.31Å; C136-R140 WeakPolarHBondContact O-CG 3.28Å; C136-R140 PolarHBondContact O-N 3.17Å; C136-R140 VanDerWaalsContact O-N 3.14Å; E137-R140 PolarHBondContact O-N 2.9Å; R140-C143 WeakPolarHBondContact O-CB 3.06Å; R140-C143 PolarHBondContact O-N 3.35Å; R140-F144 PolarHBondContact O-N 3.16Å
141Q90.3Very high84.7Confident132 Ų13268.7 Ų68.762%0.61734%0.339SS*.Hα-helixtrans-65.6-38.7179.4-171.4177.22.300111.7E137 E138 I139 F144 T145E137-Q141 WeakPolarHBondContact O-CB 3.3Å; E137-Q141 PolarHBondContact O-N 2.99Å; E138-Q141 PolarHBondContact O-N 2.95Å; I139-Q141 PolarHBondContact O-N 3.36Å; Q141-F144 PolarHBondContact O-N 3.32Å; Q141-T145 HydrophobicContact CG-CG2 4.4Å; Q141-T145 WeakPolarHBondContact O-CB 2.79Å; Q141-T145 WeakPolarHBondContact O-CG2 3.36Å; Q141-T145 PolarHBondContact O-N 2.99Å; Q141-T145 PolarHBondContact O-OG1 3Å
142I87.8Confident84.4Confident32 Ų3268.2 Ų68.216%0.16434%0.337CS..Hα-helixtrans-71.4-41.6178-71.3164.6000111E138 I139 F144 T145 K146 G147 A150 K154E138-I142 WeakPolarHBondContact O-CB 3.31Å; E138-I142 WeakPolarHBondContact O-CD1 3.24Å; E138-I142 VanDerWaalsContact O-CG1 3.26Å; E138-I142 WeakPolarHBondContact O-CG1 3.39Å; E138-I142 PolarHBondContact O-N 3.25Å; I139-I142 PolarHBondContact O-N 2.94Å; I142-F144 VanDerWaalsContact C-N 3.29Å; I142-F144 PolarHBondContact O-N 3.46Å; I142-T145 PolarHBondContact O-N 3.08Å; I142-K146 HydrophobicContact CG2-CB 4.28Å; I142-K146 HydrophobicContact CG2-CD 4.4Å; I142-K146 WeakPolarHBondContact O-CA 3.48Å; I142-K146 WeakPolarHBondContact O-CB 3.35Å; I142-K146 PolarHBondContact O-N 2.83Å; I142-G147 PolarHBondContact O-N 2.95Å; I142-A150 HydrophobicContact CG2-CB 3.89Å; I142-A150 WeakPolarHBondContact CG2-O 3.47Å; I142-K154 HydrophobicContact CD1-CB 4.11Å; I142-K154 HydrophobicContact CD1-CD 4.28Å; I142-K154 HydrophobicContact CD1-CG 3.83Å
143C85.7Confident84.2Confident7 Ų771.8 Ų71.85%0.04735%0.353CS..Hα-helixtrans-52.1-47.5169.1-81.80000111.8T121 I139 R140 G147 M148T121-C143 HydrophobicContact CG2-CB 4.29Å; I139-C143 WeakPolarHBondContact O-CB 3.33Å; I139-C143 PolarHBondContact O-N 3.18Å; I139-C143 PolarHBondContact O-SG 2.94Å; R140-C143 WeakPolarHBondContact O-CB 3.06Å; R140-C143 PolarHBondContact O-N 3.35Å; C143-G147 CarbonylContact O-C 3.51Å; C143-G147 VanDerWaalsContact O-CA 3.25Å; C143-G147 WeakPolarHBondContact O-CA 3.37Å; C143-G147 PolarHBondContact O-N 3.46Å; C143-M148 HydrophobicContact CB-SD 3.61Å; C143-M148 VanDerWaalsContact SG-SD 3.69Å
144F84.2Confident84.4Confident189 Ų18966.6 Ų66.683%0.82932%0.324SS*.Hα-helixtrans-72.1-36.7-178.2-173.4-98.3000113.8R140 Q141 I142R140-F144 PolarHBondContact O-N 3.16Å; Q141-F144 PolarHBondContact O-N 3.32Å; I142-F144 VanDerWaalsContact C-N 3.29Å; I142-F144 PolarHBondContact O-N 3.46Å
145T80.6Confident84.6Confident87 Ų8761.9 Ų61.953%0.53430%0.303SS..Hα-helixtrans-99-25.4-172.257.40000115.1Q141 I142Q141-T145 HydrophobicContact CG-CG2 4.4Å; Q141-T145 WeakPolarHBondContact O-CB 2.79Å; Q141-T145 WeakPolarHBondContact O-CG2 3.36Å; Q141-T145 PolarHBondContact O-N 2.99Å; Q141-T145 PolarHBondContact O-OG1 3Å; I142-T145 PolarHBondContact O-N 3.08Å
146K80Confident84.5Confident157 Ų15761.7 Ų61.768%0.68330%0.302SS*.Hα-helixtrans-125.5-2.6-176.6-60.8-178.1-178.21770113.5I142 A150I142-K146 HydrophobicContact CG2-CB 4.28Å; I142-K146 HydrophobicContact CG2-CD 4.4Å; I142-K146 WeakPolarHBondContact O-CA 3.48Å; I142-K146 WeakPolarHBondContact O-CB 3.35Å; I142-K146 PolarHBondContact O-N 2.83Å; K146-A150 HydrophobicContact CB-CB 3.7Å
147G74.8Confident84.5Confident31 Ų3164.8 Ų64.832%0.3232%0.316SS..  trans87.2164.2177.300000114.4I142 C143 M149 A150 G151I142-G147 PolarHBondContact O-N 2.95Å; C143-G147 CarbonylContact O-C 3.51Å; C143-G147 VanDerWaalsContact O-CA 3.25Å; C143-G147 WeakPolarHBondContact O-CA 3.37Å; C143-G147 PolarHBondContact O-N 3.46Å; G147-M149 PolarHBondContact O-N 3.2Å; G147-A150 PolarHBondContact O-N 2.88Å; G147-A150 VanDerWaalsContact O-N 3.12Å; G147-G151 PolarHBondContact O-N 3.24Å; G147-G151 VanDerWaalsContact O-N 3.16Å
148M77.1Confident84.6Confident84 Ų8458.8 Ų58.841%0.41429%0.288SS..Hα-helixtrans-63.7-33.4-166-55.9-46.8-171.700114.5N119 T121 C143 A150 G151 A152N119-M148 VanDerWaalsContact OD1-CG 3.31Å; N119-M148 WeakPolarHBondContact OD1-CG 3.48Å; T121-M148 HydrophobicContact CG2-CE 3.86Å; T121-M148 HydrophobicContact CG2-SD 4.11Å; C143-M148 HydrophobicContact CB-SD 3.61Å; C143-M148 VanDerWaalsContact SG-SD 3.69Å; M148-A150 VanDerWaalsContact C-N 3.35Å; M148-A150 PolarHBondContact O-N 3.16Å; M148-G151 CarbonylContact O-C 3.39Å; M148-G151 PolarHBondContact O-N 3.44Å; M148-A152 WeakPolarHBondContact O-CB 3.45Å; M148-A152 PolarHBondContact O-N 3.11Å
149M71.8Confident84.7Confident141 Ų14156.8 Ų56.870%0.69528%0.278SS*.Hα-helixtrans-63.8-38.7176.1-64.9-172.7-65.400112.3G147 G151 A152 E153G147-M149 PolarHBondContact O-N 3.2Å; M149-G151 VanDerWaalsContact C-N 3.34Å; M149-A152 PolarHBondContact O-N 2.66Å; M149-E153 WeakPolarHBondContact O-CB 3.36Å; M149-E153 PolarHBondContact O-N 3.26Å
150A75.1Confident84.7Confident31 Ų3158 Ų5826%0.25628%0.284SS..Hα-helixtrans-70.4-33.4175.100000111.6I142 K146 G147 M148 K154I142-A150 HydrophobicContact CG2-CB 3.89Å; I142-A150 WeakPolarHBondContact CG2-O 3.47Å; K146-A150 HydrophobicContact CB-CB 3.7Å; G147-A150 PolarHBondContact O-N 2.88Å; G147-A150 VanDerWaalsContact O-N 3.12Å; M148-A150 VanDerWaalsContact C-N 3.35Å; M148-A150 PolarHBondContact O-N 3.16Å; A150-K154 PolarHBondContact O-N 3Å
151G83.3Confident84.8Confident0 Ų052.9 Ų52.90%027%0.265CS..Hα-helixtrans-65.6-40.4170.600000112.7P120 G147 M148 M149 K154 M155P120-G151 VanDerWaalsContact CG-C 3.45Å; G147-G151 PolarHBondContact O-N 3.24Å; G147-G151 VanDerWaalsContact O-N 3.16Å; M148-G151 CarbonylContact O-C 3.39Å; M148-G151 PolarHBondContact O-N 3.44Å; M149-G151 VanDerWaalsContact C-N 3.34Å; G151-K154 PolarHBondContact O-N 3.02Å; G151-M155 WeakPolarHBondContact O-CB 3.46Å; G151-M155 PolarHBondContact O-N 3.32Å
152A82.9Confident84.9Confident0 Ų046.9 Ų46.90%024%0.238CC..Hα-helixtrans-68.7-36.617800000111.5F114 P120 M148 M149 M155 V156F114-A152 HydrophobicContact CD1-CB 4.36Å; P120-A152 HydrophobicContact CG-CB 3.83Å; M148-A152 WeakPolarHBondContact O-CB 3.45Å; M148-A152 PolarHBondContact O-N 3.11Å; M149-A152 PolarHBondContact O-N 2.66Å; A152-M155 PolarHBondContact O-N 3.41Å; A152-V156 WeakPolarHBondContact O-CG2 3.41Å; A152-V156 PolarHBondContact O-N 3.04Å
153E85.2Confident85.1Confident89 Ų8945.8 Ų45.842%0.41623%0.233SC..Hα-helixtrans-58.7-50.6168.7172.9138.1-138.800112.1K115 M149 M155 V156 E157K115-E153 HydrophobicContact CD-CB 4.33Å; K115-E153 WeakPolarHBondContact CE-OE1 3.16Å; K115-E153 WeakPolarHBondContact CE-OE2 3.16Å; K115-E153 HydrophobicContact CG-CB 4.36Å; K115-E153 IonicContact NZ-OE1 2.68Å; K115-E153 PolarHBondContact NZ-OE1 3.31Å; K115-E153 IonicContact NZ-OE2 3.32Å; K115-E153 PolarHBondContact NZ-OE2 3.31Å; M149-E153 WeakPolarHBondContact O-CB 3.36Å; M149-E153 PolarHBondContact O-N 3.26Å; E153-M155 VanDerWaalsContact C-N 3.33Å; E153-M155 PolarHBondContact O-N 3.17Å; E153-V156 PolarHBondContact O-N 2.99Å; E153-E157 PolarHBondContact O-N 2.96Å
154K88.5Confident85.3Confident18 Ų1847.2 Ų47.28%0.07824%0.238CC..Hα-helixtrans-64-37.4176.9-176.161.5176.2-177.80112.5E138 I139 I142 A150 G151 V156 E157 C158E138-K154 WeakPolarHBondContact OE2-CE 3.44Å; E138-K154 IonicContact OE2-NZ 3.14Å; E138-K154 PolarHBondContact OE2-NZ 3.44Å; E138-K154 VanDerWaalsContact OE2-NZ 3.11Å; I139-K154 HydrophobicContact CG1-CB 4.24Å; I139-K154 HydrophobicContact CG1-CG 3.77Å; I142-K154 HydrophobicContact CD1-CB 4.11Å; I142-K154 HydrophobicContact CD1-CD 4.28Å; I142-K154 HydrophobicContact CD1-CG 3.83Å; A150-K154 PolarHBondContact O-N 3Å; G151-K154 PolarHBondContact O-N 3.02Å; K154-V156 VanDerWaalsContact C-N 3.34Å; K154-V156 PolarHBondContact O-N 3.27Å; K154-E157 HydrophobicContact CD-CB 4.38Å; K154-E157 WeakPolarHBondContact CD-OE2 3.38Å; K154-E157 IonicContact NZ-OE1 2.67Å; K154-E157 PolarHBondContact NZ-OE1 3.28Å; K154-E157 IonicContact NZ-OE2 3.58Å; K154-E157 PolarHBondContact NZ-OE2 3.49Å; K154-E157 WeakPolarHBondContact O-CB 3.2Å; K154-E157 PolarHBondContact O-N 3.11Å; K154-C158 PolarHBondContact O-N 2.99Å; K154-C158 PolarHBondContact O-SG 2.9Å
155M91.2Very high85.5Confident0 Ų042.4 Ų42.40%022%0.218CC..Hα-helixtrans-63.8-39.9176.8-169.4170.5-170.100111.7P120 I123 L124 M127 L131 I139 G151 A152 E153 L159P120-M155 HydrophobicContact CB-SD 3.95Å; I123-M155 HydrophobicContact CD1-CE 3.63Å; I123-M155 HydrophobicContact CD1-SD 3.81Å; I123-M155 HydrophobicContact CG1-CE 3.9Å; I123-M155 HydrophobicContact CG1-SD 4.11Å; L124-M155 HydrophobicContact CD1-CE 4.27Å; M127-M155 HydrophobicContact CB-CE 3.6Å; M127-M155 HydrophobicContact CG-CE 3.58Å; L131-M155 HydrophobicContact CD1-CE 4.36Å; I139-M155 HydrophobicContact CD1-CB 4.05Å; I139-M155 HydrophobicContact CD1-CG 4.16Å; I139-M155 HydrophobicContact CG1-CB 4.46Å; I139-M155 HydrophobicContact CG2-CB 4.41Å; G151-M155 WeakPolarHBondContact O-CB 3.46Å; G151-M155 PolarHBondContact O-N 3.32Å; A152-M155 PolarHBondContact O-N 3.41Å; E153-M155 VanDerWaalsContact C-N 3.33Å; E153-M155 PolarHBondContact O-N 3.17Å; M155-L159 HydrophobicContact CE-CD1 4.49Å; M155-L159 HydrophobicContact CG-CD1 4.07Å; M155-L159 WeakPolarHBondContact O-CB 3.42Å; M155-L159 VanDerWaalsContact O-CG 3.23Å; M155-L159 WeakPolarHBondContact O-CG 3.32Å; M155-L159 PolarHBondContact O-N 2.62Å
156V88.3Confident85.8Confident0 Ų041.3 Ų41.30%021%0.209CC..Hα-helixtrans-65-43.5171.2171.70000111.3L107 Q111 F114 A152 E153 K154 C158 L159 L160L107-V156 HydrophobicContact CD1-CG2 4.28Å; L107-V156 HydrophobicContact CD2-CG1 4.19Å; L107-V156 HydrophobicContact CG-CG1 4.05Å; L107-V156 HydrophobicContact CG-CG2 4.44Å; Q111-V156 HydrophobicContact CB-CG1 4.3Å; Q111-V156 HydrophobicContact CG-CB 4.44Å; Q111-V156 HydrophobicContact CG-CG1 3.86Å; Q111-V156 HydrophobicContact CG-CG2 4.49Å; F114-V156 HydrophobicContact CB-CG2 4.21Å; F114-V156 HydrophobicContact CD1-CG2 3.38Å; F114-V156 HydrophobicContact CD2-CG2 4.31Å; F114-V156 HydrophobicContact CE1-CG2 3.73Å; F114-V156 HydrophobicContact CG-CG2 3.71Å; F114-V156 HydrophobicContact CZ-CG2 4.34Å; A152-V156 WeakPolarHBondContact O-CG2 3.41Å; A152-V156 PolarHBondContact O-N 3.04Å; E153-V156 PolarHBondContact O-N 2.99Å; K154-V156 VanDerWaalsContact C-N 3.34Å; K154-V156 PolarHBondContact O-N 3.27Å; V156-C158 VanDerWaalsContact C-N 3.34Å; V156-C158 PolarHBondContact O-N 3.4Å; V156-L159 PolarHBondContact O-N 2.83Å; V156-L160 HydrophobicContact CG1-CD1 3.71Å; V156-L160 HydrophobicContact CG1-CG 4.01Å; V156-L160 WeakPolarHBondContact O-CB 3.32Å; V156-L160 WeakPolarHBondContact O-CG 3.5Å; V156-L160 PolarHBondContact O-N 3.41Å
157E89.3Confident86.4Confident67 Ų6733.9 Ų33.931%0.31318%0.176SC..Hα-helixtrans-52.7-49.9176-170.8-155.6123.300111.6E153 K154 L160 R161E153-E157 PolarHBondContact O-N 2.96Å; K154-E157 HydrophobicContact CD-CB 4.38Å; K154-E157 WeakPolarHBondContact CD-OE2 3.38Å; K154-E157 IonicContact NZ-OE1 2.67Å; K154-E157 PolarHBondContact NZ-OE1 3.28Å; K154-E157 IonicContact NZ-OE2 3.58Å; K154-E157 PolarHBondContact NZ-OE2 3.49Å; K154-E157 WeakPolarHBondContact O-CB 3.2Å; K154-E157 PolarHBondContact O-N 3.11Å; E157-L160 PolarHBondContact O-N 2.82Å; E157-R161 WeakPolarHBondContact O-CD 3.27Å; E157-R161 WeakPolarHBondContact O-CG 3.22Å; E157-R161 PolarHBondContact O-N 3.46Å
158C91.2Very high87.1Confident0 Ų032.7 Ų32.70%016%0.163CC..Hα-helixtrans-70.2-40.3179.8-62.20000112.9L131 E135 K154 V156 L160 R161 S162L131-C158 HydrophobicContact CD2-CB 3.68Å; E135-C158 HydrophobicContact CB-CB 4.28Å; E135-C158 HydrophobicContact CG-CB 4.35Å; E135-C158 PolarHBondContact OE1-SG 3.27Å; E135-C158 VanDerWaalsContact OE1-SG 3.34Å; K154-C158 PolarHBondContact O-N 2.99Å; K154-C158 PolarHBondContact O-SG 2.9Å; V156-C158 VanDerWaalsContact C-N 3.34Å; V156-C158 PolarHBondContact O-N 3.4Å; C158-L160 VanDerWaalsContact C-N 3.31Å; C158-L160 PolarHBondContact O-N 2.68Å; C158-R161 CarbonylContact O-C 3.28Å; C158-R161 WeakPolarHBondContact O-CA 3.42Å; C158-R161 WeakPolarHBondContact O-CB 3.5Å; C158-R161 PolarHBondContact O-N 3.06Å; C158-S162 PolarHBondContact O-N 3.09Å
159L91.1Very high87.6Confident0 Ų036.4 Ų36.40%018%0.177CC..Hα-helixtrans-64.9-34.5175.9-70.4170.9000112.7L107 M127 L131 M155 V156 R161 S162 W167 L171L107-L159 HydrophobicContact CD2-CB 3.68Å; L107-L159 HydrophobicContact CD2-CD1 4.36Å; M127-L159 HydrophobicContact CE-CD1 4.25Å; M127-L159 HydrophobicContact CE-CD2 3.38Å; M127-L159 HydrophobicContact CE-CG 4.46Å; L131-L159 HydrophobicContact CD2-CD2 3.68Å; L131-L159 HydrophobicContact CD2-CG 4.03Å; L131-L159 HydrophobicContact CG-CD2 4.17Å; M155-L159 HydrophobicContact CE-CD1 4.49Å; M155-L159 HydrophobicContact CG-CD1 4.07Å; M155-L159 WeakPolarHBondContact O-CB 3.42Å; M155-L159 VanDerWaalsContact O-CG 3.23Å; M155-L159 WeakPolarHBondContact O-CG 3.32Å; M155-L159 PolarHBondContact O-N 2.62Å; V156-L159 PolarHBondContact O-N 2.83Å; L159-R161 PolarHBondContact O-N 3.32Å; L159-S162 PolarHBondContact O-N 3.17Å; L159-W167 HydrophobicContact CB-CE3 4.41Å; L159-W167 HydrophobicContact CB-CZ3 4.4Å; L159-W167 HydrophobicContact CD2-CD2 4.4Å; L159-W167 HydrophobicContact CD2-CE3 4.08Å; L159-L171 HydrophobicContact CD1-CD1 4.31Å; L159-L171 HydrophobicContact CD1-CD2 4.24Å
160L90.6Very high88.3Confident24 Ų2431 Ų3113%0.12615%0.152CC..THydrogen-bonded Turntrans-65.9-17.7172.9-70.3177.2000113.7R104 L107 R108 V156 E157 C158R104-L160 HydrophobicContact CB-CD2 3.8Å; R104-L160 WeakPolarHBondContact CD-O 3.46Å; R104-L160 HydrophobicContact CG-CD2 4.22Å; R104-L160 PolarHBondContact NE-O 3.35Å; R104-L160 VanDerWaalsContact NE-O 3.11Å; R104-L160 WeakPolarHBondContact O-CD2 3.42Å; L107-L160 HydrophobicContact CB-CD2 3.95Å; L107-L160 HydrophobicContact CD2-CD2 4.07Å; L107-L160 HydrophobicContact CD2-CG 4.22Å; L107-L160 HydrophobicContact CG-CD2 4.24Å; R108-L160 HydrophobicContact CG-CD1 3.65Å; R108-L160 HydrophobicContact CG-CD2 3.7Å; R108-L160 HydrophobicContact CG-CG 4.35Å; V156-L160 HydrophobicContact CG1-CD1 3.71Å; V156-L160 HydrophobicContact CG1-CG 4.01Å; V156-L160 WeakPolarHBondContact O-CB 3.32Å; V156-L160 WeakPolarHBondContact O-CG 3.5Å; V156-L160 PolarHBondContact O-N 3.41Å; E157-L160 PolarHBondContact O-N 2.82Å; C158-L160 VanDerWaalsContact C-N 3.31Å; C158-L160 PolarHBondContact O-N 2.68Å
161R91.9Very high88.9Confident22 Ų2229.6 Ų29.68%0.08314%0.14CC..THydrogen-bonded Turntrans-101.2-16.2176.9-71.8158.330.962.612.7113.7T19 L20 D21 Y82 E135 E157 C158 L159T19-R161 VanDerWaalsContact CG2-O 3.27Å; T19-R161 WeakPolarHBondContact CG2-O 3.37Å; T19-R161 PolarHBondContact O-NH1 3.2Å; L20-R161 PolarHBondContact O-NH1 2.94Å; D21-R161 VanDerWaalsContact N-NH1 3.12Å; Y82-R161 PolarHBondContact OH-NH2 2.94Å; E135-R161 IonicContact OE1-CZ 3.97Å; E135-R161 IonicContact OE1-NE 2.67Å; E135-R161 PolarHBondContact OE1-NE 2.96Å; E135-R161 IonicContact OE1-NH2 2.67Å; E135-R161 PolarHBondContact OE1-NH2 3.12Å; E157-R161 WeakPolarHBondContact O-CD 3.27Å; E157-R161 WeakPolarHBondContact O-CG 3.22Å; E157-R161 PolarHBondContact O-N 3.46Å; C158-R161 CarbonylContact O-C 3.28Å; C158-R161 WeakPolarHBondContact O-CA 3.42Å; C158-R161 WeakPolarHBondContact O-CB 3.5Å; C158-R161 PolarHBondContact O-N 3.06Å; L159-R161 PolarHBondContact O-N 3.32Å
162S92.6Very high89Confident6 Ų633 Ų334%0.04216%0.155CC..  trans-57138.3-174.3-178.10000112.8R104 C130 C158 L159 K164R104-S162 PolarHBondContact NH2-O 3.15Å; C130-S162 PolarHBondContact O-OG 2.94Å; C158-S162 PolarHBondContact O-N 3.09Å; L159-S162 PolarHBondContact O-N 3.17Å; S162-K164 PolarHBondContact OG-N 3.36Å
163D91.1Very high89Confident9 Ų938.5 Ų38.55%0.04818%0.179CC..  trans-96.61.7178.665.5-38.5000113T19 Y82 C83 G84 L85T19-D163 HydrophobicContact CG2-CB 3.76Å; Y82-D163 WeakPolarHBondContact CA-OD2 3.15Å; C83-D163 PolarHBondContact N-OD2 3.29Å; G84-D163 WeakPolarHBondContact CA-OD2 3.18Å; G84-D163 PolarHBondContact N-OD2 3.38Å; L85-D163 HydrophobicContact CB-CB 4.38Å; L85-D163 PolarHBondContact N-OD2 2.83Å
164K90.8Very high88.9Confident36 Ų3634.3 Ų34.316%0.15716%0.16CC..  trans-91113-171.6-56.3-67-177.4-74.70111.5G81 S162 N166 W167G81-K164 PolarHBondContact O-NZ 2.83Å; S162-K164 PolarHBondContact OG-N 3.36Å; K164-N166 WeakPolarHBondContact CB-OD1 3.43Å; K164-N166 PolarHBondContact O-N 2.71Å; K164-W167 PolarHBondContact O-N 3.02Å
165E87.9Confident88.7Confident89 Ų8933.5 Ų33.542%0.41616%0.156SC..THydrogen-bonded Turntrans-56.4-22.4-177.1-168.7170.9-158.600113.4K96 K99K96-E165 WeakPolarHBondContact CG-OE2 3.33Å; K99-E165 IonicContact NZ-OE1 3.11Å; K99-E165 PolarHBondContact NZ-OE1 3.02Å
166N87.8Confident88.1Confident64 Ų6438.1 Ų38.134%0.34218%0.178SC..THydrogen-bonded Turntrans-86.3-14.2178.568.9-20.3000115.5K164 P168 K169 V170K164-N166 WeakPolarHBondContact CB-OD1 3.43Å; K164-N166 PolarHBondContact O-N 2.71Å; N166-P168 VanDerWaalsContact C-N 3.34Å; N166-P168 VanDerWaalsContact O-N 3.15Å; N166-K169 PolarHBondContact O-N 2.92Å; N166-V170 HydrophobicContact CB-CG2 4.3Å; N166-V170 PolarHBondContact O-N 3.17Å
167W91.3Very high87.6Confident0 Ų043.3 Ų43.30%020%0.2CC..Hα-helixtrans-55.5-36.6-170.483-108.5000115.2H103 R104 L107 C130 L159 K164 K169 L171 W186H103-W167 HydrophobicContact CB-CH2 4.08Å; H103-W167 HydrophobicContact CB-CZ2 4.03Å; R104-W167 HydrophobicContact CG-CZ2 3.95Å; L107-W167 HydrophobicContact CB-CH2 4.32Å; L107-W167 HydrophobicContact CD2-CH2 3.91Å; L107-W167 HydrophobicContact CD2-CZ3 4.02Å; C130-W167 HydrophobicContact CB-CB 3.67Å; L159-W167 HydrophobicContact CB-CE3 4.41Å; L159-W167 HydrophobicContact CB-CZ3 4.4Å; L159-W167 HydrophobicContact CD2-CD2 4.4Å; L159-W167 HydrophobicContact CD2-CE3 4.08Å; K164-W167 PolarHBondContact O-N 3.02Å; W167-K169 VanDerWaalsContact C-N 3.27Å; W167-K169 PolarHBondContact O-N 3.21Å; W167-L171 HydrophobicContact CE3-CB 4.45Å; W167-L171 HydrophobicContact CE3-CD2 4.24Å; W167-L171 HydrophobicContact CZ3-CD2 3.83Å; W167-L171 VanDerWaalsContact O-CB 3.25Å; W167-L171 WeakPolarHBondContact O-CB 3.32Å; W167-L171 PolarHBondContact O-N 2.88Å; W167-W186 AromaticContact CH2-CH2 3.82Å; W167-W186 HydrophobicContact CH2-CH2 3.82Å; W167-W186 HydrophobicContact CH2-CZ2 4.11Å; W167-W186 AromaticContact CZ3-CH2 3.72Å; W167-W186 HydrophobicContact CZ3-CH2 3.72Å; W167-W186 AromaticContact CZ3-CZ2 3.67Å; W167-W186 HydrophobicContact CZ3-CZ2 3.67Å
168P89.9Confident86.8Confident6 Ų644.4 Ų44.44%0.03921%0.206CC..Hα-helixtrans-67.3-29178.1-21.334.6000113.3L100 H103 N166 K172 W186L100-P168 HydrophobicContact CD2-CG 3.75Å; H103-P168 HydrophobicContact CB-CB 4.03Å; H103-P168 HydrophobicContact CB-CG 3.66Å; H103-P168 WeakPolarHBondContact CD2-CB 3.39Å; N166-P168 VanDerWaalsContact C-N 3.34Å; N166-P168 VanDerWaalsContact O-N 3.15Å; P168-K172 PolarHBondContact O-N 3.46Å; P168-K172 VanDerWaalsContact O-N 3.16Å; P168-W186 HydrophobicContact CB-CZ2 4.02Å; P168-W186 PolarHBondContact O-NE1 3.17Å
169K86.7Confident85.3Confident162 Ų16251.6 Ų51.670%0.70424%0.244SC*.Hα-helixtrans-81.9-40.3179.8-64.6-177.5177.7-1790111.4N166 W167 K172 F173N166-K169 PolarHBondContact O-N 2.92Å; W167-K169 VanDerWaalsContact C-N 3.27Å; W167-K169 PolarHBondContact O-N 3.21Å; K169-K172 WeakPolarHBondContact O-CB 3.45Å; K169-K172 PolarHBondContact O-N 3.33Å; K169-F173 PolarHBondContact O-N 3.33Å
170V88.5Confident84Confident29 Ų2953.3 Ų53.318%0.17625%0.253CS..Hα-helixtrans-66.1-40173.3-176.60000110.5E126 M127 C130 N166 K172 F173 A174E126-V170 WeakPolarHBondContact O-CG1 3.29Å; M127-V170 HydrophobicContact SD-CB 4.17Å; M127-V170 HydrophobicContact SD-CG1 3.76Å; C130-V170 VanDerWaalsContact SG-CB 3.59Å; C130-V170 VanDerWaalsContact SG-CG2 3.59Å; N166-V170 HydrophobicContact CB-CG2 4.3Å; N166-V170 PolarHBondContact O-N 3.17Å; V170-K172 PolarHBondContact O-N 3.35Å; V170-F173 PolarHBondContact O-N 3.42Å; V170-A174 WeakPolarHBondContact O-CB 3.47Å; V170-A174 PolarHBondContact O-N 2.94Å
171L87.6Confident82.4Confident0 Ų059.3 Ų59.30%028%0.278CS..Hα-helixtrans-60.8-44.5173.7-176.162.1000111.6L107 F114 I123 M127 L159 W167 F173 A174 L175 W186L107-L171 HydrophobicContact CD1-CD2 4.47Å; F114-L171 HydrophobicContact CE2-CD1 4.12Å; F114-L171 HydrophobicContact CE2-CD2 4.26Å; F114-L171 HydrophobicContact CZ-CD1 4.36Å; I123-L171 HydrophobicContact CD1-CD1 4.16Å; M127-L171 HydrophobicContact CE-CB 3.81Å; M127-L171 HydrophobicContact CE-CD1 4.14Å; M127-L171 HydrophobicContact CG-CD1 4.5Å; M127-L171 WeakPolarHBondContact SD-CA 3.46Å; M127-L171 HydrophobicContact SD-CB 3.91Å; M127-L171 HydrophobicContact SD-CD1 4.06Å; M127-L171 PolarHBondContact SD-N 2.92Å; M127-L171 VanDerWaalsContact SD-N 3.4Å; L159-L171 HydrophobicContact CD1-CD1 4.31Å; L159-L171 HydrophobicContact CD1-CD2 4.24Å; W167-L171 HydrophobicContact CE3-CB 4.45Å; W167-L171 HydrophobicContact CE3-CD2 4.24Å; W167-L171 HydrophobicContact CZ3-CD2 3.83Å; W167-L171 VanDerWaalsContact O-CB 3.25Å; W167-L171 WeakPolarHBondContact O-CB 3.32Å; W167-L171 PolarHBondContact O-N 2.88Å; L171-F173 PolarHBondContact O-N 3.35Å; L171-A174 PolarHBondContact O-N 3.02Å; L171-L175 HydrophobicContact CD1-CD1 4.14Å; L171-L175 HydrophobicContact CD1-CG 4.25Å; L171-L175 HydrophobicContact CG-CD1 3.85Å; L171-L175 HydrophobicContact CG-CG 4.42Å; L171-L175 WeakPolarHBondContact O-CB 3.32Å; L171-L175 WeakPolarHBondContact O-CD1 3.34Å; L171-L175 WeakPolarHBondContact O-CG 3.34Å; L171-L175 PolarHBondContact O-N 3.29Å; L171-W186 HydrophobicContact CD2-CD2 4.44Å; L171-W186 HydrophobicContact CD2-CH2 4.14Å; L171-W186 HydrophobicContact CD2-CZ2 3.83Å
172K84.5Confident80.9Confident72 Ų7258.2 Ų58.231%0.31327%0.274SS..Hα-helixtrans-56-52.2174.9-173.5162.4175.2158.90111.5P168 K169 V170 A174 L175 E176P168-K172 PolarHBondContact O-N 3.46Å; P168-K172 VanDerWaalsContact O-N 3.16Å; K169-K172 WeakPolarHBondContact O-CB 3.45Å; K169-K172 PolarHBondContact O-N 3.33Å; V170-K172 PolarHBondContact O-N 3.35Å; K172-A174 PolarHBondContact O-N 3.44Å; K172-L175 PolarHBondContact O-N 2.82Å; K172-E176 WeakPolarHBondContact CE-OE1 3.38Å; K172-E176 HydrophobicContact CG-CG 4.37Å; K172-E176 IonicContact NZ-OE1 2.76Å; K172-E176 WeakPolarHBondContact O-CG 3.37Å; K172-E176 PolarHBondContact O-N 2.7Å
173F82.6Confident79.3Confident116 Ų11659 Ų5951%0.50928%0.279SS..Hα-helixtrans-60.3-43.6-179.6178.2-105.5000112.5K169 V170 L171 L175 E176 K177K169-F173 PolarHBondContact O-N 3.33Å; V170-F173 PolarHBondContact O-N 3.42Å; L171-F173 PolarHBondContact O-N 3.35Å; F173-L175 VanDerWaalsContact C-N 3.33Å; F173-L175 PolarHBondContact O-N 2.72Å; F173-E176 PolarHBondContact O-N 3.44Å; F173-K177 VanDerWaalsContact O-CB 3.25Å; F173-K177 WeakPolarHBondContact O-CB 3.47Å; F173-K177 PolarHBondContact O-N 2.88Å
174A84.1Confident78Confident1 Ų164.9 Ų64.91%0.00831%0.307CS..Hα-helixtrans-63.9-36.3177.100000112.6I123 E126 M127 V170 L171 K172 E178I123-A174 HydrophobicContact CB-CB 4.04Å; I123-A174 HydrophobicContact CG2-CB 3.99Å; E126-A174 HydrophobicContact CB-CB 3.89Å; E126-A174 HydrophobicContact CG-CB 4.21Å; M127-A174 HydrophobicContact CG-CB 4.45Å; M127-A174 HydrophobicContact SD-CB 4.4Å; V170-A174 WeakPolarHBondContact O-CB 3.47Å; V170-A174 PolarHBondContact O-N 2.94Å; L171-A174 PolarHBondContact O-N 3.02Å; K172-A174 PolarHBondContact O-N 3.44Å; A174-E178 PolarHBondContact O-N 3.27Å
175L82.5Confident76.3Confident1 Ų166.2 Ų66.21%0.00532%0.315CS..Hα-helixtrans-71.8-38.5176.1-68.6164.7000112.9I118 L171 K172 F173 N180 F182 W186I118-L175 HydrophobicContact CD1-CD2 3.33Å; I118-L175 HydrophobicContact CG1-CD2 4.22Å; L171-L175 HydrophobicContact CD1-CD1 4.14Å; L171-L175 HydrophobicContact CD1-CG 4.25Å; L171-L175 HydrophobicContact CG-CD1 3.85Å; L171-L175 HydrophobicContact CG-CG 4.42Å; L171-L175 WeakPolarHBondContact O-CB 3.32Å; L171-L175 WeakPolarHBondContact O-CD1 3.34Å; L171-L175 WeakPolarHBondContact O-CG 3.34Å; L171-L175 PolarHBondContact O-N 3.29Å; K172-L175 PolarHBondContact O-N 2.82Å; F173-L175 VanDerWaalsContact C-N 3.33Å; F173-L175 PolarHBondContact O-N 2.72Å; L175-N180 PolarHBondContact O-N 2.85Å; L175-N180 VanDerWaalsContact O-N 3.11Å; L175-F182 HydrophobicContact CD1-CD1 3.7Å; L175-F182 HydrophobicContact CD1-CE1 4.12Å; L175-F182 HydrophobicContact CD2-CB 4.47Å; L175-F182 HydrophobicContact CD2-CD1 3.98Å; L175-F182 HydrophobicContact CG-CD1 4.49Å; L175-W186 HydrophobicContact CD1-CB 4.35Å; L175-W186 HydrophobicContact CD1-CG 4.32Å
176E79.5Confident75.2Confident97 Ų9762.4 Ų62.445%0.45330%0.297SS..Hα-helixtrans-69.4-37.9176.3-72.1173.2159.100111.7K172 F173 E178 D179K172-E176 WeakPolarHBondContact CE-OE1 3.38Å; K172-E176 HydrophobicContact CG-CG 4.37Å; K172-E176 IonicContact NZ-OE1 2.76Å; K172-E176 WeakPolarHBondContact O-CG 3.37Å; K172-E176 PolarHBondContact O-N 2.7Å; F173-E176 PolarHBondContact O-N 3.44Å; E176-E178 VanDerWaalsContact C-N 3.35Å; E176-E178 PolarHBondContact O-N 2.94Å; E176-D179 PolarHBondContact O-N 3.35Å
177K77.6Confident73.8Confident109 Ų10963.7 Ų63.747%0.47430%0.303SS..Hα-helixtrans-63.4-36.6179.3-175.1-168.9171.5-150.20113.2E126 F173 D179E126-K177 HydrophobicContact CG-CD 4.33Å; E126-K177 IonicContact OE1-NZ 2.73Å; E126-K177 PolarHBondContact OE1-NZ 2.98Å; F173-K177 VanDerWaalsContact O-CB 3.25Å; F173-K177 WeakPolarHBondContact O-CB 3.47Å; F173-K177 PolarHBondContact O-N 2.88Å; K177-D179 VanDerWaalsContact C-N 3.3Å; K177-D179 PolarHBondContact O-N 3.02Å
178E73.5Confident71.6Confident90 Ų9067.1 Ų67.142%0.42132%0.323SS..THydrogen-bonded Turntrans-91.218.3179.5-57.2-58.7133.900113.1I123 A174 E176 N180I123-E178 HydrophobicContact CG2-CG 4.07Å; A174-E178 PolarHBondContact O-N 3.27Å; E176-E178 VanDerWaalsContact C-N 3.35Å; E176-E178 PolarHBondContact O-N 2.94Å; E178-N180 PolarHBondContact O-N 3.17Å
179D59.7Low69Low150 Ų15073.8 Ų73.880%0.80236%0.359SS*.THydrogen-bonded Turntrans49.731.3-179.1-161.529.9000113.7E176 K177E176-D179 PolarHBondContact O-N 3.35Å; K177-D179 VanDerWaalsContact C-N 3.3Å; K177-D179 PolarHBondContact O-N 3.02Å
180N63.2Low66.3Low37 Ų3775.4 Ų75.420%0.19837%0.369CS..  trans-86.9120.3-171.3-164.2-53.1000110.6R117 L175 E178 F182 S183R117-N180 PolarHBondContact O-ND2 3.36Å; L175-N180 PolarHBondContact O-N 2.85Å; L175-N180 VanDerWaalsContact O-N 3.11Å; E178-N180 PolarHBondContact O-N 3.17Å; N180-F182 PolarHBondContact O-N 2.98Å; N180-F182 VanDerWaalsContact OD1-CB 3.29Å; N180-F182 WeakPolarHBondContact OD1-CB 3.46Å; N180-F182 PolarHBondContact OD1-N 2.91Å; N180-S183 WeakPolarHBondContact O-CB 3.08Å; N180-S183 PolarHBondContact O-N 2.96Å; N180-S183 PolarHBondContact O-OG 2.87Å
181K57.1Low63.6Low149 Ų14976.9 Ų76.965%0.64839%0.39SS*.THydrogen-bonded Turntrans-59.3-10.6179.9-60.2-166.9176.5-1650115.2S183 E184K181-S183 PolarHBondContact O-N 3.31Å; K181-E184 PolarHBondContact O-N 3.31Å
182F61.3Low60.6Low0 Ų086 Ų860%043%0.43CS..THydrogen-bonded Turntrans-65.5-23.9168.4-172.1-85.8000112.5L110 E113 F114 I118 L175 N180 E184 L185 W186L110-F182 HydrophobicContact CB-CE2 3.85Å; L110-F182 HydrophobicContact CB-CZ 3.59Å; L110-F182 HydrophobicContact CD1-CE1 4.43Å; L110-F182 HydrophobicContact CD1-CE2 4.45Å; L110-F182 HydrophobicContact CD1-CZ 3.87Å; L110-F182 HydrophobicContact CG-CZ 4.34Å; E113-F182 HydrophobicContact CB-CD2 4.19Å; E113-F182 HydrophobicContact CB-CE2 4.05Å; F114-F182 HydrophobicContact CB-CE2 3.85Å; F114-F182 HydrophobicContact CB-CZ 3.9Å; F114-F182 HydrophobicContact CD2-CD1 4.35Å; F114-F182 AromaticContact CD2-CE1 3.66Å; F114-F182 HydrophobicContact CD2-CE1 3.66Å; F114-F182 HydrophobicContact CD2-CE2 4.27Å; F114-F182 AromaticContact CD2-CZ 3.6Å; F114-F182 HydrophobicContact CD2-CZ 3.6Å; F114-F182 HydrophobicContact CE2-CE1 4.31Å; F114-F182 HydrophobicContact CG-CZ 4.23Å; I118-F182 HydrophobicContact CD1-CB 3.76Å; I118-F182 HydrophobicContact CD1-CD1 4.24Å; I118-F182 HydrophobicContact CD1-CG 3.96Å; I118-F182 HydrophobicContact CG1-CG 4.46Å; L175-F182 HydrophobicContact CD1-CD1 3.7Å; L175-F182 HydrophobicContact CD1-CE1 4.12Å; L175-F182 HydrophobicContact CD2-CB 4.47Å; L175-F182 HydrophobicContact CD2-CD1 3.98Å; L175-F182 HydrophobicContact CG-CD1 4.49Å; N180-F182 PolarHBondContact O-N 2.98Å; N180-F182 VanDerWaalsContact OD1-CB 3.29Å; N180-F182 WeakPolarHBondContact OD1-CB 3.46Å; N180-F182 PolarHBondContact OD1-N 2.91Å; F182-E184 VanDerWaalsContact C-N 3.28Å; F182-E184 PolarHBondContact O-N 3.06Å; F182-L185 HydrophobicContact CD2-CD1 4.19Å; F182-L185 WeakPolarHBondContact O-CB 3.46Å; F182-L185 PolarHBondContact O-N 3.5Å; F182-W186 HydrophobicContact CE1-CE3 4.34Å; F182-W186 PolarHBondContact O-N 2.94Å
183S58.9Low57.7Low21 Ų2191.3 Ų91.315%0.14745%0.453CS..G310 helixtrans-57.4-37.1173.257.60000113.1N180 K181 L185 W186N180-S183 WeakPolarHBondContact O-CB 3.08Å; N180-S183 PolarHBondContact O-N 2.96Å; N180-S183 PolarHBondContact O-OG 2.87Å; K181-S183 PolarHBondContact O-N 3.31Å; S183-L185 PolarHBondContact O-N 2.75Å; S183-W186 PolarHBondContact O-N 2.65Å
184E62.1Low54.9Low134 Ų13488.8 Ų88.863%0.62646%0.46SS*.G310 helixtrans-60.4-23.3174.7-59.5178.4-173.500113K181 F182 I187K181-E184 PolarHBondContact O-N 3.31Å; F182-E184 VanDerWaalsContact C-N 3.28Å; F182-E184 PolarHBondContact O-N 3.06Å; E184-I187 WeakPolarHBondContact O-CD1 3.45Å
185L55.3Low51.9Low64 Ų6496.1 Ų96.134%0.33550%0.498SS..G310 helixtrans-93-15.3178.6-53.2173.2000112.3L110 E113 F182 S183 I187L110-L185 HydrophobicContact CD1-CB 4.11Å; L110-L185 WeakPolarHBondContact CD1-O 3.42Å; L110-L185 HydrophobicContact CD2-CB 4.24Å; E113-L185 WeakPolarHBondContact OE2-CD1 3.47Å; F182-L185 HydrophobicContact CD2-CD1 4.19Å; F182-L185 WeakPolarHBondContact O-CB 3.46Å; F182-L185 PolarHBondContact O-N 3.5Å; S183-L185 PolarHBondContact O-N 2.75Å; L185-I187 VanDerWaalsContact C-N 3.3Å; L185-I187 PolarHBondContact O-N 2.67Å
186W65.4Low49Very low9 Ų997.7 Ų97.73%0.03451%0.506CS..  trans-93.660.2-177.3-165.6-105.6000110.9L106 L107 L110 W167 P168 L171 L175 F182 S183L106-W186 HydrophobicContact CB-CZ3 4.25Å; L106-W186 HydrophobicContact CD2-CD2 4.33Å; L106-W186 HydrophobicContact CD2-CE3 3.82Å; L106-W186 HydrophobicContact CD2-CH2 4.46Å; L106-W186 HydrophobicContact CD2-CZ3 3.89Å; L106-W186 HydrophobicContact CG-CE3 4.07Å; L106-W186 HydrophobicContact CG-CZ3 3.84Å; L107-W186 HydrophobicContact CB-CH2 3.96Å; L107-W186 HydrophobicContact CB-CZ3 3.89Å; L107-W186 HydrophobicContact CD1-CH2 4.39Å; L107-W186 HydrophobicContact CD1-CZ3 3.99Å; L110-W186 HydrophobicContact CD1-CE3 4.1Å; W167-W186 AromaticContact CH2-CH2 3.82Å; W167-W186 HydrophobicContact CH2-CH2 3.82Å; W167-W186 HydrophobicContact CH2-CZ2 4.11Å; W167-W186 AromaticContact CZ3-CH2 3.72Å; W167-W186 HydrophobicContact CZ3-CH2 3.72Å; W167-W186 AromaticContact CZ3-CZ2 3.67Å; W167-W186 HydrophobicContact CZ3-CZ2 3.67Å; P168-W186 HydrophobicContact CB-CZ2 4.02Å; P168-W186 PolarHBondContact O-NE1 3.17Å; L171-W186 HydrophobicContact CD2-CD2 4.44Å; L171-W186 HydrophobicContact CD2-CH2 4.14Å; L171-W186 HydrophobicContact CD2-CZ2 3.83Å; L175-W186 HydrophobicContact CD1-CB 4.35Å; L175-W186 HydrophobicContact CD1-CG 4.32Å; F182-W186 HydrophobicContact CE1-CE3 4.34Å; F182-W186 PolarHBondContact O-N 2.94Å; S183-W186 PolarHBondContact O-N 2.65Å
187I57.5Low46.5Very low91 Ų9194.3 Ų94.347%0.46749%0.492SS..  trans-117.7128.3179.3-57.1178.5000109.2E184 L185E184-I187 WeakPolarHBondContact O-CD1 3.45Å; L185-I187 VanDerWaalsContact C-N 3.3Å; L185-I187 PolarHBondContact O-N 2.67Å
188V45.9Very low44.2Very low71 Ų7190.6 Ų90.643%0.4348%0.476SS..  trans-116.5118.8165.91790000106L106 E190L106-V188 HydrophobicContact CD2-CG2 3.85Å; V188-E190 PolarHBondContact O-N 3.27Å
189D35.5Very low42Very low146 Ų14686.4 Ų86.478%0.78146%0.457SS*.  trans-75.8110.6-171.6-78.1-43000112.2G191D189-G191 PolarHBondContact O-N 2.7Å
190E29.9Very low40.9Very low196 Ų19680.9 Ų80.992%0.91643%0.428SS*.  trans-73.172163.2-75.7-167.2167.300111.2V188V188-E190 PolarHBondContact O-N 3.27Å
191G31.6Very low39.4Very low61 Ų6180 Ų8063%0.62942%0.423SS*.  trans6582149.300000119.1D189D189-G191 PolarHBondContact O-N 2.7Å
192F23.9Very low38.2Very low191 Ų19175 Ų7584%0.83840%0.403SS*.  trans-126.2117.3153.8-119.7-106.8000109.6
193K23.6Very low36.6Very low184 Ų18478 Ų7880%0.842%0.42SS*.  57.68872.2-83.8-171.2173.61760115.4
194G25.2Very low35.1Very low63 Ų6377.9 Ų77.965%0.64942%0.421SS*.  trans98.3143144.100000116.2
195L21.6Very low33.3Very low155 Ų15578.4 Ų78.481%0.81243%0.426SS*.  trans47.896172.6-84.360000114.3
196E21.3Very low31.6Very low34 Ų3482.9 Ų82.916%0.15945%0.445CS..  cis59.231.228.2-63.4-86.116200114E858 K860 K879E196-E858 WeakPolarHBondContact CA-OE2 3.42Å; E196-E858 HydrophobicContact CB-CB 4.23Å; E196-E858 VanDerWaalsContact CD-OE2 3.29Å; E196-E858 HydrophobicContact CG-CB 4.25Å; E196-E858 HydrophobicContact CG-CG 4.42Å; E196-E858 VanDerWaalsContact CG-OE2 3.28Å; E196-E858 WeakPolarHBondContact CG-OE2 3.27Å; E196-E858 PolarHBondContact N-OE2 3.5Å; E196-E858 WeakPolarHBondContact OE2-CA 3.45Å; E196-E858 WeakPolarHBondContact OE2-CB 3.44Å; E196-K860 WeakPolarHBondContact OE1-CE 3.32Å; E196-K860 IonicContact OE1-NZ 2.7Å; E196-K879 HydrophobicContact CB-CD 4.27Å; E196-K879 HydrophobicContact CG-CD 3.51Å; E196-K879 WeakPolarHBondContact OE2-CB 3.42Å; E196-K879 WeakPolarHBondContact OE2-CD 3.23Å; E196-K879 WeakPolarHBondContact OE2-CG 3.36Å
197S26.7Very low29.9Very low25 Ų2590.9 Ų90.918%0.17549%0.487CS..  -68.3165.7129.258.40000111E219 K852 I853 E858S197-E219 WeakPolarHBondContact CB-OE1 3.49Å; S197-E219 PolarHBondContact OG-OE1 3.06Å; S197-K852 CarbonylContact C-O 3.55Å; S197-I853 VanDerWaalsContact CA-CG2 3.46Å; S197-E858 WeakPolarHBondContact O-CB 3.22Å; S197-E858 WeakPolarHBondContact O-CG 3.48Å; S197-E858 VanDerWaalsContact O-OE2 3.13Å
198K28.6Very low28.2Very low32 Ų3289 Ų8914%0.13948%0.481CS..  trans174.7-8171.45.7-143.3-175.9-142.60126E219 P851 K852 Y854 F857 E858 K859K198-E219 VanDerWaalsContact CD-OE1 3.25Å; K198-E219 WeakPolarHBondContact CD-OE1 3.42Å; K198-E219 WeakPolarHBondContact CE-OE1 3.42Å; K198-E219 IonicContact NZ-OE1 2.69Å; K198-E219 PolarHBondContact NZ-OE1 3.43Å; K198-E219 IonicContact NZ-OE2 3.51Å; K198-E219 PolarHBondContact NZ-OE2 3.27Å; K198-P851 HydrophobicContact CB-CB 3.51Å; K198-P851 HydrophobicContact CD-CB 3.53Å; K198-P851 HydrophobicContact CD-CG 3.85Å; K198-P851 WeakPolarHBondContact CD-O 3.12Å; K198-P851 HydrophobicContact CG-CB 3.87Å; K198-K852 CarbonylContact C-O 3.59Å; K198-K852 VanDerWaalsContact C-O 3.32Å; K198-K852 WeakPolarHBondContact CA-O 3.28Å; K198-K852 WeakPolarHBondContact CB-O 3.41Å; K198-K852 WeakPolarHBondContact CD-O 3.47Å; K198-K852 WeakPolarHBondContact CG-O 3.24Å; K198-K852 PolarHBondContact N-O 3.27Å; K198-K852 PolarHBondContact O-N 3.32Å; K198-Y854 VanDerWaalsContact C-CD2 3.44Å; K198-Y854 WeakPolarHBondContact O-CE2 3.27Å; K198-F857 CarbonylContact C-O 3.55Å; K198-F857 VanDerWaalsContact CA-O 3.29Å; K198-F857 WeakPolarHBondContact CA-O 3.29Å; K198-E858 HydrophobicContact CB-CB 4.15Å; K198-E858 HydrophobicContact CB-CG 3.92Å; K198-E858 HydrophobicContact CG-CG 4.16Å; K198-K859 WeakPolarHBondContact O-CB 3.15Å
199A26.9Very low27.3Very low2 Ų290.1 Ų90.12%0.01749%0.492CS..  trans99.7165.416700000128.5K852 I853 Y854 F857A199-K852 VanDerWaalsContact CB-C 3.42Å; A199-K852 VanDerWaalsContact CB-CA 3.48Å; A199-K852 HydrophobicContact CB-CB 3.69Å; A199-K852 HydrophobicContact CB-CD 3.86Å; A199-K852 HydrophobicContact CB-CG 3.41Å; A199-K852 VanDerWaalsContact CB-CG 3.41Å; A199-I853 WeakPolarHBondContact CA-O 3.39Å; A199-I853 VanDerWaalsContact CB-N 3.32Å; A199-I853 VanDerWaalsContact N-C 3.26Å; A199-Y854 VanDerWaalsContact C-CB 3.45Å; A199-Y854 WeakPolarHBondContact CA-OH 3.32Å; A199-Y854 HydrophobicContact CB-CD1 3.29Å; A199-Y854 HydrophobicContact CB-CD2 3.83Å; A199-Y854 HydrophobicContact CB-CE1 2.63Å; A199-Y854 HydrophobicContact CB-CE2 3.28Å; A199-Y854 HydrophobicContact CB-CG 3.83Å; A199-Y854 WeakPolarHBondContact CB-OH 3.46Å; A199-Y854 WeakPolarHBondContact O-CD1 3.47Å; A199-Y854 WeakPolarHBondContact O-CD2 3.49Å; A199-Y854 WeakPolarHBondContact O-CE2 3.11Å; A199-F857 PolarHBondContact N-O 3.43Å
200V36.7Very low26.6Very low33 Ų3385.2 Ų85.220%0.247%0.466CS..  -172.1144.683.568.60000113.1Q215 Y854V200-Q215 CarbonylContact C-O 3.31Å; V200-Q215 VanDerWaalsContact O-O 3.12Å; V200-Y854 HydrophobicContact CB-CE1 4.05Å; V200-Y854 HydrophobicContact CB-CE2 4.33Å
201E31.6Very low26.3Very low18 Ų1878.2 Ų78.28%0.08443%0.433CS..  trans-45.3165157.6-53.4147.6175.300111.1I214 Q215 E216 T668E201-I214 HydrophobicContact CB-CG2 3.92Å; E201-I214 HydrophobicContact CG-CG2 3.78Å; E201-Q215 WeakPolarHBondContact CA-O 3.25Å; E201-Q215 PolarHBondContact N-O 2.97Å; E201-E216 HydrophobicContact CG-CG 3.65Å; E201-T668 VanDerWaalsContact CD-CG2 3.49Å; E201-T668 HydrophobicContact CG-CG2 4.39Å; E201-T668 WeakPolarHBondContact OE1-CG2 3.38Å; E201-T668 PolarHBondContact OE1-N 2.85Å; E201-T668 WeakPolarHBondContact OE2-CB 3.41Å; E201-T668 PolarHBondContact OE2-N 3.33Å; E201-T668 PolarHBondContact OE2-OG1 2.84Å
202D33.4Very low25.8Very low44 Ų4477.8 Ų77.824%0.23542%0.416CS..  172.7-178.550.6-160.6-0.3000110.4F213 K667D202-F213 CarbonylContact C-O 3.46Å; D202-K667 IonicContact OD2-NZ 3.32Å; D202-K667 PolarHBondContact OD2-NZ 3.12Å
203D26.8Very low25.7Very low65 Ų6571.9 Ų71.935%0.34839%0.39SS..  trans87.7136.9140.4-155.780.4000118F213 K908D203-F213 PolarHBondContact N-O 2.88Å; D203-K908 PolarHBondContact O-NZ 3.38Å; D203-K908 WeakPolarHBondContact OD2-CE 3.43Å; D203-K908 IonicContact OD2-NZ 2.75Å; D203-K908 PolarHBondContact OD2-NZ 3.41Å
204G27.9Very low25.6Very low17 Ų1767.7 Ų67.718%0.17538%0.375CS..  cis-172.6-158.221.400000114.4I210G204-I210 WeakPolarHBondContact O-CG2 3.4Å
205M24.5Very low25.5Very low146 Ų14669.5 Ų69.572%0.71937%0.367SS*.  trans-112.4160.9-159.4-85.9-178.4160.400118.7I210 I212M205-I210 HydrophobicContact CB-CD1 4.21Å; M205-I210 HydrophobicContact CE-CD1 4.38Å; M205-I210 HydrophobicContact CG-CB 4.26Å; M205-I210 HydrophobicContact CG-CD1 3.82Å; M205-I210 HydrophobicContact CG-CG1 4.35Å; M205-I212 HydrophobicContact CE-CD1 3.98Å; M205-I212 HydrophobicContact CG-CD1 3.76Å; M205-I212 HydrophobicContact CG-CG1 3.78Å; M205-I212 HydrophobicContact SD-CD1 4.21Å
206E19.7Very low25.6Very low157 Ų15764.8 Ų64.873%0.73434%0.34SS*.  trans-167.495.8173.1-84.8-164.1134.100109S208 I210E206-S208 VanDerWaalsContact C-N 3.32Å; E206-S208 WeakPolarHBondContact O-CA 3.4Å; E206-S208 VanDerWaalsContact O-CB 3.31Å; E206-S208 WeakPolarHBondContact O-CB 3.44Å; E206-S208 PolarHBondContact O-N 2.73Å; E206-S208 PolarHBondContact O-OG 3.2Å; E206-I210 VanDerWaalsContact C-CG1 3.42Å; E206-I210 WeakPolarHBondContact O-CD1 3.25Å; E206-I210 WeakPolarHBondContact O-CG1 3.41Å
207I28.7Very low25.8Very low178 Ų17864.2 Ų64.291%0.91334%0.338SS*.SBendtrans-37.568.2-163.3-39.1-178000118.3
208S21.7Very low26Very low51 Ų5163.6 Ų63.636%0.35733%0.333SS..SBendtrans-153.956.2-170.165.70000111.6E206 I210 K380E206-S208 VanDerWaalsContact C-N 3.32Å; E206-S208 WeakPolarHBondContact O-CA 3.4Å; E206-S208 VanDerWaalsContact O-CB 3.31Å; E206-S208 WeakPolarHBondContact O-CB 3.44Å; E206-S208 PolarHBondContact O-N 2.73Å; E206-S208 PolarHBondContact O-OG 3.2Å; S208-I210 PolarHBondContact O-N 2.71Å; S208-K380 PolarHBondContact O-NZ 3.35Å; S208-K380 PolarHBondContact OG-NZ 3.2Å
209S27.1Very low25.8Very low94 Ų9464.9 Ų64.966%0.65734%0.34SS*.SBendtrans44.261.3-170.967.30000112.5Q211S209-Q211 PolarHBondContact O-N 2.62Å
210I21.6Very low25.8Very low44 Ų4467.8 Ų67.823%0.22636%0.359CS..  trans-81.3114.5-162.8-32.189.9000111G204 M205 E206 S208 I212G204-I210 WeakPolarHBondContact O-CG2 3.4Å; M205-I210 HydrophobicContact CB-CD1 4.21Å; M205-I210 HydrophobicContact CE-CD1 4.38Å; M205-I210 HydrophobicContact CG-CB 4.26Å; M205-I210 HydrophobicContact CG-CD1 3.82Å; M205-I210 HydrophobicContact CG-CG1 4.35Å; E206-I210 VanDerWaalsContact C-CG1 3.42Å; E206-I210 WeakPolarHBondContact O-CD1 3.25Å; E206-I210 WeakPolarHBondContact O-CG1 3.41Å; S208-I210 PolarHBondContact O-N 2.71Å; I210-I212 PolarHBondContact O-N 2.64Å
211Q24Very low25.2Very low48 Ų4874 Ų7422%0.22439%0.386CS..  trans-61.187.4154-66.9156.1-40.800107.5S209 F213 N377S209-Q211 PolarHBondContact O-N 2.62Å; Q211-F213 HydrophobicContact CB-CE2 4.29Å; Q211-F213 WeakPolarHBondContact O-CD2 3.48Å; Q211-F213 VanDerWaalsContact O-CE2 3.24Å; Q211-F213 WeakPolarHBondContact O-CE2 3.45Å; Q211-F213 PolarHBondContact O-N 2.9Å; Q211-N377 PolarHBondContact NE2-OD1 2.86Å
212I20.2Very low24.9Very low53 Ų5379.5 Ų79.527%0.27242%0.42SS..  trans-54.1125.2157.8-66.2-171.1000106.4M205 I210 I214M205-I212 HydrophobicContact CE-CD1 3.98Å; M205-I212 HydrophobicContact CG-CD1 3.76Å; M205-I212 HydrophobicContact CG-CG1 3.78Å; M205-I212 HydrophobicContact SD-CD1 4.21Å; I210-I212 PolarHBondContact O-N 2.64Å; I212-I214 VanDerWaalsContact C-N 3.3Å; I212-I214 HydrophobicContact CB-CG1 4.36Å; I212-I214 HydrophobicContact CG2-CG1 3.77Å; I212-I214 PolarHBondContact O-N 3.26Å
213F22.5Very low24.4Very low67 Ų6785.6 Ų85.629%0.29445%0.452SS..  trans-81.478.6-178.9-81.6-99.8000110.3D202 D203 Q211 Q215 N381D202-F213 CarbonylContact C-O 3.46Å; D203-F213 PolarHBondContact N-O 2.88Å; Q211-F213 HydrophobicContact CB-CE2 4.29Å; Q211-F213 WeakPolarHBondContact O-CD2 3.48Å; Q211-F213 VanDerWaalsContact O-CE2 3.24Å; Q211-F213 WeakPolarHBondContact O-CE2 3.45Å; Q211-F213 PolarHBondContact O-N 2.9Å; F213-Q215 PolarHBondContact O-N 3.44Å; F213-N381 HydrophobicContact CE1-CB 4.22Å; F213-N381 WeakPolarHBondContact CE1-O 3.48Å; F213-N381 HydrophobicContact CE2-CB 4.11Å; F213-N381 HydrophobicContact CZ-CB 3.64Å; F213-N381 WeakPolarHBondContact CZ-O 3.5Å
214I21.9Very low24.4Very low96 Ų9687 Ų8749%0.49247%0.467SS..  trans-72.898.9178.1-42.6-175.4000109.2E201 I212 E216E201-I214 HydrophobicContact CB-CG2 3.92Å; E201-I214 HydrophobicContact CG-CG2 3.78Å; I212-I214 VanDerWaalsContact C-N 3.3Å; I212-I214 HydrophobicContact CB-CG1 4.36Å; I212-I214 HydrophobicContact CG2-CG1 3.77Å; I212-I214 PolarHBondContact O-N 3.26Å; I214-E216 HydrophobicContact CG2-CG 3.87Å; I214-E216 PolarHBondContact O-N 2.88Å
215Q22.5Very low24.2Very low101 Ų10194.2 Ų94.247%0.47250%0.496SS..  trans-77.463.5178.3-169.5171.2-22.600110.9V200 E201 F213 E217V200-Q215 CarbonylContact C-O 3.31Å; V200-Q215 VanDerWaalsContact O-O 3.12Å; E201-Q215 WeakPolarHBondContact CA-O 3.25Å; E201-Q215 PolarHBondContact N-O 2.97Å; F213-Q215 PolarHBondContact O-N 3.44Å; Q215-E217 PolarHBondContact O-N 2.92Å
216E23.1Very low24.1Very low55 Ų5593.9 Ų93.926%0.25750%0.497SS..  trans-77.8113.4178.8-89.3-155.2-104.300112.9E201 I214 R665 K852E201-E216 HydrophobicContact CG-CG 3.65Å; I214-E216 HydrophobicContact CG2-CG 3.87Å; I214-E216 PolarHBondContact O-N 2.88Å; E216-R665 WeakPolarHBondContact OE1-CD 3.34Å; E216-R665 IonicContact OE1-NH1 2.71Å; E216-R665 PolarHBondContact OE1-NH1 3.09Å; E216-R665 WeakPolarHBondContact OE2-CD 3.46Å; E216-R665 IonicContact OE2-CZ 3.9Å; E216-R665 IonicContact OE2-NE 2.62Å; E216-R665 IonicContact OE2-NH1 2.73Å; E216-R665 PolarHBondContact OE2-NH1 3.36Å; E216-K852 IonicContact OE2-NZ 3.18Å; E216-K852 PolarHBondContact OE2-NZ 3.31Å
217E25.8Very low24.5Very low22 Ų2292.3 Ų92.310%0.10350%0.501CS..  trans-102.7154.8150.2-62.8-157.3142.100112.3Q215 K852 I853 Y854Q215-E217 PolarHBondContact O-N 2.92Å; E217-K852 VanDerWaalsContact O-CD 3.29Å; E217-K852 WeakPolarHBondContact O-CD 3.49Å; E217-K852 WeakPolarHBondContact O-CE 3.46Å; E217-K852 PolarHBondContact O-NZ 2.88Å; E217-I853 CarbonylContact C-O 3.56Å; E217-I853 VanDerWaalsContact C-O 3.28Å; E217-I853 WeakPolarHBondContact CB-O 3.48Å; E217-Y854 HydrophobicContact CB-CD1 4.18Å
218P29.9Very low24.1Very low13 Ų1389.6 Ų89.68%0.08450%0.496CS..  trans-126.1-167.1-159.813.715.9000113I301 G327 A328 I853P218-I301 HydrophobicContact CG-CD1 4.45Å; P218-G327 WeakPolarHBondContact CD-O 3.36Å; P218-A328 HydrophobicContact CB-CB 4.11Å; P218-A328 HydrophobicContact CG-CB 3.81Å; P218-I853 CarbonylContact O-C 3.58Å; P218-I853 VanDerWaalsContact O-CA 3.25Å; P218-I853 WeakPolarHBondContact O-CA 3.47Å; P218-I853 VanDerWaalsContact O-CB 3.26Å; P218-I853 WeakPolarHBondContact O-CB 3.36Å; P218-I853 VanDerWaalsContact O-CG1 3.22Å; P218-I853 WeakPolarHBondContact O-CG1 3.49Å; P218-I853 PolarHBondContact O-N 2.74Å; P218-I853 VanDerWaalsContact O-O 3.12Å
219E26Very low24.2Very low58 Ų5894.7 Ų94.727%0.27152%0.519SS..  trans-140.7146.8-179.4-177166.9-124.300118S197 K198 K852 I853S197-E219 WeakPolarHBondContact CB-OE1 3.49Å; S197-E219 PolarHBondContact OG-OE1 3.06Å; K198-E219 VanDerWaalsContact CD-OE1 3.25Å; K198-E219 WeakPolarHBondContact CD-OE1 3.42Å; K198-E219 WeakPolarHBondContact CE-OE1 3.42Å; K198-E219 IonicContact NZ-OE1 2.69Å; K198-E219 PolarHBondContact NZ-OE1 3.43Å; K198-E219 IonicContact NZ-OE2 3.51Å; K198-E219 PolarHBondContact NZ-OE2 3.27Å; E219-K852 VanDerWaalsContact CB-C 3.48Å; E219-K852 HydrophobicContact CB-CB 3.51Å; E219-K852 VanDerWaalsContact CD-O 3.29Å; E219-I853 HydrophobicContact CB-CD1 4.2Å; E219-I853 HydrophobicContact CB-CG1 3.5Å; E219-I853 HydrophobicContact CG-CD1 3.96Å; E219-I853 HydrophobicContact CG-CG1 3.48Å; E219-I853 VanDerWaalsContact CG-CG1 3.48Å
220C25.2Very low24.1Very low63 Ų6395.7 Ų95.743%0.42652%0.523SS..  trans-109.8144.7163.3-62.20000111.2
221Q25.4Very low24.3Very low165 Ų16598.4 Ų98.477%0.77155%0.546SS*.  trans-120.6136147.9-81.2-173-37.500107.9
222V24.1Very low24.4Very low132 Ų132102.8 Ų102.880%0.857%0.571SS**  trans-100.5116.4175.8177.70000108.1
223L23.3Very low24.7Very low173 Ų173109.4 Ų109.491%0.90660%0.6SS**  trans-118.1128.1159.2-80.3172.7000108.2
224S27.3Very low24.9Very low94 Ų94111.7 Ų111.766%0.65763%0.625SS**  trans-103.5158.8-175.663.30000111.2
225Q23.5Very low25Very low169 Ų169112.3 Ų112.379%0.7964%0.637SS**  trans92.1142.4170.1-50.9-177.610.600117.6
226N23.3Very low25.1Very low138 Ų138113.6 Ų113.674%0.73865%0.647SS**  trans6777.8167.3-56.9-16.3000118.7C228N226-C228 PolarHBondContact O-N 3.41Å
227P26.5Very low25.3Very low124 Ų124118.7 Ų118.781%0.80568%0.676SS**  trans-75106.2161.131.8-32000111.2L229P227-L229 PolarHBondContact O-N 3.37Å
228C21.4Very low25.8Very low122 Ų122125.5 Ų125.582%0.82471%0.712SS**  trans-74.6121.8165-75.80000110.2N226 P230N226-C228 PolarHBondContact O-N 3.41Å; C228-P230 WeakPolarHBondContact O-CD 3.43Å
229L23.6Very low26.6Very low158 Ų158133.1 Ų133.183%0.82775%0.746SS**  trans-73.3126.4-178.9-74.3159.4000112.4P227P227-L229 PolarHBondContact O-N 3.37Å
230P25.4Very low27.2Very low115 Ų115134.7 Ų134.775%0.74776%0.763SS**  trans-90106.4162.41.918.5000110.2C228C228-P230 WeakPolarHBondContact O-CD 3.43Å
231S24.8Very low28.5Very low100 Ų100137.2 Ų137.270%0.69978%0.782SS**  trans19.1114.6158.957.50000119.4E233S231-E233 VanDerWaalsContact C-N 3.27Å; S231-E233 PolarHBondContact O-N 3.15Å
232D26.8Very low30.4Very low140 Ų140135.5 Ų135.575%0.74978%0.777SS**SBendtrans-61.1-2.1-171.5-71.1-71.7000119.1S234D232-S234 PolarHBondContact O-N 3.13Å; D232-S234 VanDerWaalsContact O-N 3.13Å
233E25.8Very low33.3Very low192 Ų192137.8 Ų137.890%0.89778%0.777SS**THydrogen-bonded Turntrans-86.924.5-161.6-62.4-156.9128.500117S231S231-E233 VanDerWaalsContact C-N 3.27Å; S231-E233 PolarHBondContact O-N 3.15Å
234S27.9Very low36.6Very low115 Ų115131.2 Ų131.280%0.80474%0.744SS**THydrogen-bonded Turntrans-137.8-4.917764.40000117.8D232D232-S234 PolarHBondContact O-N 3.13Å; D232-S234 VanDerWaalsContact O-N 3.13Å
235C24.3Very low39.8Very low110 Ų110131.6 Ų131.674%0.74373%0.731SS**  trans-91.1-8.6-171.1-138.10000116N237C235-N237 PolarHBondContact O-N 2.95Å
236N23.7Very low43.3Very low127 Ų127127.8 Ų127.868%0.67972%0.716SS**THydrogen-bonded Turntrans-79-1.8-161.1-77.4-36.4000117.7
237N27.6Very low46.8Very low163 Ų163121.2 Ų121.287%0.87268%0.681SS**THydrogen-bonded Turntrans-107.520.2-167-90.5-28.7000116.9C235C235-N237 PolarHBondContact O-N 2.95Å
238L35.8Very low50.2Low164 Ų164115.5 Ų115.586%0.85964%0.644SS**  trans-114.57.7174.2-89.3160.5000114.7S240L238-S240 PolarHBondContact O-N 3.4Å
239H46.9Very low53.8Low173 Ų173113.2 Ų113.280%0.80162%0.623SS**  trans-76.788.1177-76.1-81.3000112.8
240S39.4Very low57.3Low91 Ų91107 Ų10764%0.63659%0.59SS**  trans-141.5145.2159.366.10000111.5L238 L242L238-S240 PolarHBondContact O-N 3.4Å; S240-L242 PolarHBondContact O-N 3.2Å
241S51.8Low60.8Low117 Ų117101.6 Ų101.682%0.81855%0.554SS**  trans-71.394.2168.154.80000108.7K243S241-K243 PolarHBondContact O-N 3.21Å
242L64.9Low64.3Low128 Ų12896.8 Ų96.867%0.6752%0.521SS*.  trans-51.9102178.9-83.2156.5000110.8S240 F273S240-L242 PolarHBondContact O-N 3.2Å; L242-F273 HydrophobicContact CB-CE2 4.09Å; L242-F273 HydrophobicContact CB-CZ 4.15Å; L242-F273 WeakPolarHBondContact O-CZ 3.45Å
243K86.2Confident67.7Low181 Ų18194.1 Ų94.179%0.78751%0.506SS*.PPolyproline II helixtrans-72.5132.6175.4-173.7-176.4175.9-173.70108.6S241S241-K243 PolarHBondContact O-N 3.21Å
244P91.9Very high71.1Confident35 Ų3586.2 Ų86.223%0.22747%0.471CS..PPolyproline II helixtrans-60.9140174.225.6-34.6000111.3L249 F273 L277P244-L249 HydrophobicContact CB-CD2 3.82Å; P244-L249 HydrophobicContact CB-CG 4.02Å; P244-L249 HydrophobicContact CG-CD1 4.39Å; P244-L249 HydrophobicContact CG-CD2 3.78Å; P244-L249 HydrophobicContact CG-CG 4.21Å; P244-F273 HydrophobicContact CB-CE1 4.03Å; P244-L277 HydrophobicContact CB-CD1 3.82Å; P244-L277 HydrophobicContact CB-CD2 4.27Å; P244-L277 HydrophobicContact CG-CD2 4.41Å
245R94.8Very high74.4Confident102 Ų10280.8 Ų80.839%0.38543%0.433SS..PPolyproline II helixtrans-72.6156.7167.4-69.1-173-172.988.2-2.3110.6Y247 Q248 L249 E449R245-Y247 VanDerWaalsContact C-N 3.33Å; R245-Y247 HydrophobicContact CB-CD1 4.06Å; R245-Y247 HydrophobicContact CB-CE1 3.95Å; R245-Y247 VanDerWaalsContact CD-CE1 3.41Å; R245-Y247 HydrophobicContact CG-CE1 4.34Å; R245-Y247 PolarHBondContact O-N 2.87Å; R245-Q248 HydrophobicContact CB-CB 4.46Å; R245-Q248 HydrophobicContact CB-CG 4.04Å; R245-Q248 WeakPolarHBondContact O-CB 2.95Å; R245-Q248 PolarHBondContact O-N 2.86Å; R245-L249 PolarHBondContact O-N 3.3Å; R245-L249 VanDerWaalsContact O-N 3.17Å; R245-E449 WeakPolarHBondContact CB-OE1 3.5Å
246N96.6Very high77.9Confident88 Ų8878 Ų7847%0.47141%0.409SS..Hα-helixtrans-63-41.3-176.5-60.8-24.5000111.3Q248 L249 E250 N446 E449N246-Q248 PolarHBondContact O-N 3.05Å; N246-L249 WeakPolarHBondContact O-CB 3.33Å; N246-L249 PolarHBondContact O-N 2.98Å; N246-L249 VanDerWaalsContact O-N 3.15Å; N246-E250 PolarHBondContact O-N 3.18Å; N246-N446 HydrophobicContact CB-CB 4.41Å; N246-N446 WeakPolarHBondContact CB-OD1 3.43Å; N246-E449 WeakPolarHBondContact CA-OE2 3.49Å; N246-E449 WeakPolarHBondContact CB-OE2 3.32Å; N246-E449 PolarHBondContact N-OE1 2.99Å; N246-E449 PolarHBondContact N-OE2 3.29Å
247Y96.6Very high81.4Confident0 Ų078.5 Ų78.50%041%0.406CS..Hα-helixtrans-62.8-26.1174.279.4-110.6000113R245 L251 C269 V443 E449 L450 V453R245-Y247 VanDerWaalsContact C-N 3.33Å; R245-Y247 HydrophobicContact CB-CD1 4.06Å; R245-Y247 HydrophobicContact CB-CE1 3.95Å; R245-Y247 VanDerWaalsContact CD-CE1 3.41Å; R245-Y247 HydrophobicContact CG-CE1 4.34Å; R245-Y247 PolarHBondContact O-N 2.87Å; Y247-L251 HydrophobicContact CD2-CD1 4.29Å; Y247-L251 VanDerWaalsContact O-CG 3.25Å; Y247-L251 WeakPolarHBondContact O-CG 3.4Å; Y247-L251 PolarHBondContact O-N 2.78Å; Y247-L251 VanDerWaalsContact O-N 3.1Å; Y247-C269 HydrophobicContact CE2-CB 3.88Å; Y247-C269 WeakPolarHBondContact CE2-O 3.22Å; Y247-C269 PolarHBondContact OH-O 3.41Å; Y247-V443 HydrophobicContact CD2-CG2 4.05Å; Y247-V443 HydrophobicContact CG-CG2 4.26Å; Y247-E449 HydrophobicContact CD1-CB 4.23Å; Y247-E449 HydrophobicContact CD1-CG 3.97Å; Y247-E449 VanDerWaalsContact CD1-OE2 3.22Å; Y247-E449 WeakPolarHBondContact CD1-OE2 3.33Å; Y247-E449 HydrophobicContact CE1-CG 4.44Å; Y247-E449 PolarHBondContact N-OE2 3.07Å; Y247-L450 HydrophobicContact CD1-CB 4.04Å; Y247-L450 HydrophobicContact CD1-CD1 4.4Å; Y247-L450 HydrophobicContact CD2-CD1 4.19Å; Y247-L450 HydrophobicContact CE1-CB 4.4Å; Y247-L450 HydrophobicContact CE1-CD1 4.13Å; Y247-L450 HydrophobicContact CE2-CD1 3.94Å; Y247-L450 HydrophobicContact CG-CB 4.29Å; Y247-L450 HydrophobicContact CG-CD1 4.46Å; Y247-V453 HydrophobicContact CE1-CB 4.43Å; Y247-V453 HydrophobicContact CE1-CG2 4.42Å
248Q97Very high84.7Confident5 Ų573.3 Ų73.32%0.02339%0.391CS..Hα-helixtrans-76.6-34.2177-65.1176.4-35.200111.4R245 N246 A252 C269 V274 L277R245-Q248 HydrophobicContact CB-CB 4.46Å; R245-Q248 HydrophobicContact CB-CG 4.04Å; R245-Q248 WeakPolarHBondContact O-CB 2.95Å; R245-Q248 PolarHBondContact O-N 2.86Å; N246-Q248 PolarHBondContact O-N 3.05Å; Q248-A252 WeakPolarHBondContact O-CB 3.49Å; Q248-A252 PolarHBondContact O-N 3.5Å; Q248-A252 VanDerWaalsContact O-N 3.14Å; Q248-C269 PolarHBondContact NE2-O 3.03Å; Q248-V274 HydrophobicContact CB-CG2 3.97Å; Q248-V274 HydrophobicContact CG-CG2 4.09Å; Q248-L277 HydrophobicContact CB-CD1 4.36Å
249L97.4Very high87.6Confident74 Ų7469 Ų6939%0.38737%0.365SS..Hα-helixtrans-68.5-42170.4-62174.5000111.3P244 R245 N246 L251 A252 L253P244-L249 HydrophobicContact CB-CD2 3.82Å; P244-L249 HydrophobicContact CB-CG 4.02Å; P244-L249 HydrophobicContact CG-CD1 4.39Å; P244-L249 HydrophobicContact CG-CD2 3.78Å; P244-L249 HydrophobicContact CG-CG 4.21Å; R245-L249 PolarHBondContact O-N 3.3Å; R245-L249 VanDerWaalsContact O-N 3.17Å; N246-L249 WeakPolarHBondContact O-CB 3.33Å; N246-L249 PolarHBondContact O-N 2.98Å; N246-L249 VanDerWaalsContact O-N 3.15Å; L249-L251 PolarHBondContact O-N 3.41Å; L249-A252 PolarHBondContact O-N 2.96Å; L249-L253 WeakPolarHBondContact O-CB 3.28Å; L249-L253 PolarHBondContact O-N 2.9Å
250E98.1Very high90.1Very high27 Ų2761.7 Ų61.713%0.12633%0.332CS..Hα-helixtrans-56.1-48.2175.1-171.8-173.3163.800111.7N246 A252 L253 R444 D445 N446N246-E250 PolarHBondContact O-N 3.18Å; E250-A252 PolarHBondContact O-N 3.4Å; E250-L253 PolarHBondContact O-N 2.66Å; E250-R444 WeakPolarHBondContact OE1-CA 3.4Å; E250-R444 PolarHBondContact OE1-N 2.98Å; E250-D445 PolarHBondContact OE1-N 3.3Å; E250-D445 PolarHBondContact OE2-N 2.8Å; E250-N446 WeakPolarHBondContact OE2-CB 3.38Å; E250-N446 PolarHBondContact OE2-N 3.49Å; E250-N446 VanDerWaalsContact OE2-N 3.1Å; E250-N446 PolarHBondContact OE2-ND2 2.87Å
251L98.3Very high92.9Very high1 Ų157.4 Ų57.41%0.00530%0.302CS..Hα-helixtrans-66.9-32.8177.3-69.8173.3000113.3Y247 L249 I263 A265 V274 A441 V443Y247-L251 HydrophobicContact CD2-CD1 4.29Å; Y247-L251 VanDerWaalsContact O-CG 3.25Å; Y247-L251 WeakPolarHBondContact O-CG 3.4Å; Y247-L251 PolarHBondContact O-N 2.78Å; Y247-L251 VanDerWaalsContact O-N 3.1Å; L249-L251 PolarHBondContact O-N 3.41Å; L251-I263 HydrophobicContact CB-CG2 4.06Å; L251-I263 HydrophobicContact CD1-CG2 4.26Å; L251-I263 HydrophobicContact CD2-CG2 4.06Å; L251-I263 HydrophobicContact CG-CG2 4.35Å; L251-A265 HydrophobicContact CD1-CB 3.72Å; L251-A265 HydrophobicContact CD2-CB 4.44Å; L251-V274 HydrophobicContact CB-CG1 4.04Å; L251-V274 HydrophobicContact CB-CG2 4.43Å; L251-V274 HydrophobicContact CD1-CG2 4.43Å; L251-A441 HydrophobicContact CD2-CB 4.36Å; L251-V443 HydrophobicContact CD1-CG2 3.83Å; L251-V443 HydrophobicContact CD2-CG2 3.97Å; L251-V443 HydrophobicContact CG-CG2 3.86Å
252A98.1Very high95.1Very high0 Ų051.8 Ų51.80%026%0.263CS..Hα-helixtrans-76.3-29.5178.600000113.3Q248 L249 E250 A255 Q256 V274 I278Q248-A252 WeakPolarHBondContact O-CB 3.49Å; Q248-A252 PolarHBondContact O-N 3.5Å; Q248-A252 VanDerWaalsContact O-N 3.14Å; L249-A252 PolarHBondContact O-N 2.96Å; E250-A252 PolarHBondContact O-N 3.4Å; A252-A255 WeakPolarHBondContact O-CB 3.42Å; A252-A255 PolarHBondContact O-N 3.39Å; A252-A255 VanDerWaalsContact O-N 3.09Å; A252-Q256 HydrophobicContact CB-CG 4.39Å; A252-Q256 WeakPolarHBondContact O-CG 3.32Å; A252-Q256 PolarHBondContact O-N 2.97Å; A252-V274 HydrophobicContact CB-CG1 4.15Å; A252-I278 HydrophobicContact CB-CG1 4Å
253L98.2Very high96.7Very high83 Ų8345.7 Ų45.744%0.43523%0.231SC..Hα-helixtrans-56.9-38.7-167.8-174.963.8000115.7L249 E250 K257L249-L253 WeakPolarHBondContact O-CB 3.28Å; L249-L253 PolarHBondContact O-N 2.9Å; E250-L253 PolarHBondContact O-N 2.66Å; L253-K257 HydrophobicContact CD1-CD 4.37Å; L253-K257 HydrophobicContact CG-CD 4.37Å; L253-K257 WeakPolarHBondContact O-CG 3.36Å; L253-K257 PolarHBondContact O-N 3.18Å
254P97.7Very high97.3Very high26 Ų2637.8 Ų37.817%0.16920%0.198CC..Hα-helixtrans-69.1-37.6176.9-2034.3000112.4K257 K259 T261 V439 A441P254-K257 PolarHBondContact O-N 3.02Å; P254-K259 WeakPolarHBondContact O-CB 3.38Å; P254-K259 PolarHBondContact O-N 2.76Å; P254-T261 HydrophobicContact CB-CG2 4.11Å; P254-V439 HydrophobicContact CB-CB 4.29Å; P254-V439 HydrophobicContact CB-CG1 3.87Å; P254-V439 HydrophobicContact CB-CG2 4.48Å; P254-V439 HydrophobicContact CG-CG1 4.11Å; P254-A441 HydrophobicContact CG-CB 4.2Å
255A98Very high97.4Very high1 Ų136.2 Ų36.21%0.00819%0.188CC..Hα-helixtrans-69.5-43.5177.700000111.6A252 K257 G258 I278 Q405 I407A252-A255 WeakPolarHBondContact O-CB 3.42Å; A252-A255 PolarHBondContact O-N 3.39Å; A252-A255 VanDerWaalsContact O-N 3.09Å; A255-K257 PolarHBondContact O-N 3.45Å; A255-G258 PolarHBondContact O-N 2.74Å; A255-I278 HydrophobicContact CB-CD1 3.56Å; A255-I278 HydrophobicContact CB-CG1 3.78Å; A255-I278 HydrophobicContact CB-CG2 3.91Å; A255-Q405 PolarHBondContact O-NE2 3.29Å; A255-I407 HydrophobicContact CB-CD1 3.42Å; A255-I407 VanDerWaalsContact CB-CD1 3.42Å; A255-I407 HydrophobicContact CB-CG1 4.34Å
256Q97.3Very high97.2Very high51 Ų5133.8 Ų33.824%0.23819%0.186CC..Hα-helixtrans-62.4-21.8173.7-69-179.6-22.900112.7A252 G258 L277 H281A252-Q256 HydrophobicContact CB-CG 4.39Å; A252-Q256 WeakPolarHBondContact O-CG 3.32Å; A252-Q256 PolarHBondContact O-N 2.97Å; Q256-G258 PolarHBondContact O-N 2.71Å; Q256-L277 PolarHBondContact NE2-O 3.39Å; Q256-H281 HydrophobicContact CG-CB 3.83Å; Q256-H281 PolarHBondContact O-NE2 3.46Å
257K97.4Very high96.6Very high138 Ų13830.4 Ų30.460%0.617%0.168SC*.THydrogen-bonded Turntrans-85.120.6170.6-70.4171.4178.5172.80113.7L253 P254 A255 K259L253-K257 HydrophobicContact CD1-CD 4.37Å; L253-K257 HydrophobicContact CG-CD 4.37Å; L253-K257 WeakPolarHBondContact O-CG 3.36Å; L253-K257 PolarHBondContact O-N 3.18Å; P254-K257 PolarHBondContact O-N 3.02Å; A255-K257 PolarHBondContact O-N 3.45Å; K257-K259 VanDerWaalsContact C-N 3.27Å; K257-K259 PolarHBondContact O-N 2.88Å
258G96.1Very high95.8Very high54 Ų5432.1 Ų32.156%0.55719%0.185SC*.THydrogen-bonded Turntrans6914.7176.200000115.4A255 Q256 Q405A255-G258 PolarHBondContact O-N 2.74Å; Q256-G258 PolarHBondContact O-N 2.71Å; G258-Q405 VanDerWaalsContact C-NE2 3.29Å
259K97.6Very high95.4Very high73 Ų7331.9 Ų31.932%0.31719%0.185SC..  trans-91.1138.7-178.4-57.1-173.2178.4-1750112.2P254 K257 T261 Q405 V439P254-K259 WeakPolarHBondContact O-CB 3.38Å; P254-K259 PolarHBondContact O-N 2.76Å; K257-K259 VanDerWaalsContact C-N 3.27Å; K257-K259 PolarHBondContact O-N 2.88Å; K259-T261 PolarHBondContact O-N 2.62Å; K259-T261 PolarHBondContact O-OG1 2.86Å; K259-Q405 PolarHBondContact O-NE2 3.07Å; K259-V439 HydrophobicContact CB-CG2 4.34Å; K259-V439 HydrophobicContact CD-CG2 3.54Å
260N98.6Very high94.9Very high21 Ų2129.6 Ų29.611%0.11218%0.179CC..  trans-65.1120.7168-68.4-1.5000109.6Y391 Q405 V406 D436 S438 V439N260-Y391 PolarHBondContact ND2-OH 3.44Å; N260-Y391 VanDerWaalsContact ND2-OH 3.15Å; N260-Q405 WeakPolarHBondContact OD1-CA 3.36Å; N260-Q405 WeakPolarHBondContact OD1-CG 3.14Å; N260-V406 CarbonylContact C-O 3.48Å; N260-V406 WeakPolarHBondContact CA-O 3.44Å; N260-V406 HydrophobicContact CB-CB 4.36Å; N260-V406 PolarHBondContact OD1-N 3.36Å; N260-D436 WeakPolarHBondContact CB-O 3.44Å; N260-D436 PolarHBondContact ND2-O 3.4Å; N260-S438 PolarHBondContact O-N 2.97Å; N260-V439 PolarHBondContact O-N 2.68Å
261T98.7Very high94.7Very high0 Ų029.3 Ų29.30%018%0.177CC..EExtended strand (participates in β ladder)trans-139.1130.6-161.2-57.50000112.3P254 K259 I263 V406 I407 G408 V439 A441P254-T261 HydrophobicContact CB-CG2 4.11Å; K259-T261 PolarHBondContact O-N 2.62Å; K259-T261 PolarHBondContact O-OG1 2.86Å; T261-I263 HydrophobicContact CG2-CG1 4.04Å; T261-V406 PolarHBondContact N-O 2.78Å; T261-I407 WeakPolarHBondContact O-CA 3.28Å; T261-G408 PolarHBondContact O-N 2.92Å; T261-V439 CarbonylContact C-O 3.57Å; T261-V439 VanDerWaalsContact CA-O 3.28Å; T261-V439 WeakPolarHBondContact CA-O 3.27Å; T261-V439 HydrophobicContact CG2-CB 4.38Å; T261-V439 HydrophobicContact CG2-CG1 4.45Å; T261-A441 HydrophobicContact CG2-CB 3.73Å
262I98.7Very high94.4Very high0 Ų031.1 Ų31.10%019%0.188CC..EExtended strand (participates in β ladder)trans-93.2121.4163.8-75.2161.3000109C264 G408 T410 V413 L431 L435 V437 V439 I440 A441I262-C264 HydrophobicContact CG2-CB 4.41Å; I262-G408 CarbonylContact C-O 3.32Å; I262-G408 WeakPolarHBondContact CA-O 3.46Å; I262-T410 HydrophobicContact CG2-CG2 4.22Å; I262-V413 HydrophobicContact CG2-CG1 3.87Å; I262-L431 HydrophobicContact CD1-CD2 4.42Å; I262-L431 HydrophobicContact CD1-CG 4.21Å; I262-L435 HydrophobicContact CD1-CD1 3.91Å; I262-L435 HydrophobicContact CG1-CD1 4.08Å; I262-V437 HydrophobicContact CB-CG1 4.27Å; I262-V437 HydrophobicContact CD1-CB 4.21Å; I262-V437 HydrophobicContact CD1-CG1 4.09Å; I262-V437 HydrophobicContact CD1-CG2 3.91Å; I262-V437 HydrophobicContact CG1-CB 4.34Å; I262-V437 HydrophobicContact CG1-CG1 4.04Å; I262-V437 HydrophobicContact CG1-CG2 3.71Å; I262-V439 PolarHBondContact N-O 3.05Å; I262-I440 CarbonylContact O-C 3.33Å; I262-I440 WeakPolarHBondContact O-CA 3.42Å; I262-A441 PolarHBondContact O-N 3.45Å
263I98.6Very high94.2Very high0 Ų032.9 Ų32.90%020%0.196CC..EExtended strand (participates in β ladder)trans-97.796.4176.6-55.2-176.3000107.8L251 T261 V274 I278 I407 G408 L409 T410 A441L251-I263 HydrophobicContact CB-CG2 4.06Å; L251-I263 HydrophobicContact CD1-CG2 4.26Å; L251-I263 HydrophobicContact CD2-CG2 4.06Å; L251-I263 HydrophobicContact CG-CG2 4.35Å; T261-I263 HydrophobicContact CG2-CG1 4.04Å; I263-V274 HydrophobicContact CD1-CG1 3.85Å; I263-I278 HydrophobicContact CD1-CD1 3.45Å; I263-I278 VanDerWaalsContact CD1-CD1 3.45Å; I263-I407 HydrophobicContact CD1-CG2 4.09Å; I263-I407 HydrophobicContact CG1-CG2 4.48Å; I263-G408 PolarHBondContact N-O 2.92Å; I263-L409 HydrophobicContact CB-CD2 4.07Å; I263-L409 HydrophobicContact CD1-CD2 4.01Å; I263-L409 HydrophobicContact CG1-CD2 4.39Å; I263-T410 PolarHBondContact O-N 3.45Å; I263-A441 HydrophobicContact CG1-CB 4.34Å
264C97.8Very high94.1Very high14 Ų1428.9 Ų28.910%0.09518%0.175CC..EExtended strand (participates in β ladder)trans-97.598.8-179.8-174.70000109.4I262 T410 V413 I440 A441 T442I262-C264 HydrophobicContact CG2-CB 4.41Å; C264-T410 HydrophobicContact CB-CG2 4.15Å; C264-V413 HydrophobicContact CB-CG1 4.26Å; C264-I440 HydrophobicContact CB-CG2 4.5Å; C264-A441 PolarHBondContact N-O 3.44Å; C264-T442 HydrophobicContact CB-CG2 4.23Å
265A94.2Very high94.1Very high2 Ų227.7 Ų27.72%0.01717%0.167CC..  trans-143.6145.8-175.600000112.2L251 C269 K271 T410 A411L251-A265 HydrophobicContact CD1-CB 3.72Å; L251-A265 HydrophobicContact CD2-CB 4.44Å; A265-C269 VanDerWaalsContact CB-SG 3.55Å; A265-K271 HydrophobicContact CB-CD 4.45Å; A265-K271 HydrophobicContact CB-CG 4.38Å; A265-K271 PolarHBondContact O-NZ 3.32Å; A265-T410 PolarHBondContact N-O 2.94Å; A265-T410 VanDerWaalsContact O-O 3.12Å; A265-A411 WeakPolarHBondContact O-CA 3.45Å
266P89.4Confident94Very high52 Ų5228 Ų2834%0.33817%0.168SC..  trans-52.6153.3-172.9-30.537000115.7G268 C269 L450 V454P266-G268 PolarHBondContact O-N 3.22Å; P266-C269 PolarHBondContact O-N 2.89Å; P266-C269 PolarHBondContact O-SG 3.43Å; P266-L450 HydrophobicContact CG-CD2 4.33Å; P266-V454 HydrophobicContact CB-CG1 3.97Å
267T85.8Confident94Very high17 Ų1726.7 Ų26.710%0.10416%0.163CC..THydrogen-bonded Turntrans-59.2132.1169.6-52.70000109.9
268G80Confident94Very high35 Ų3520.2 Ų20.236%0.36114%0.135SC..THydrogen-bonded Turntrans92.9-13.9-17700000116.6P266 G270P266-G268 PolarHBondContact O-N 3.22Å; G268-G270 PolarHBondContact O-N 3.25Å; G268-G270 VanDerWaalsContact O-N 3.07Å
269C86.8Confident94.1Very high1 Ų117.6 Ų17.61%0.00711%0.108CC..SBendtrans-68.1-8177.973.30000114.6Y247 Q248 A265 P266 L450 V454Y247-C269 HydrophobicContact CE2-CB 3.88Å; Y247-C269 WeakPolarHBondContact CE2-O 3.22Å; Y247-C269 PolarHBondContact OH-O 3.41Å; Q248-C269 PolarHBondContact NE2-O 3.03Å; A265-C269 VanDerWaalsContact CB-SG 3.55Å; P266-C269 PolarHBondContact O-N 2.89Å; P266-C269 PolarHBondContact O-SG 3.43Å; C269-L450 HydrophobicContact CB-CD1 3.68Å; C269-V454 HydrophobicContact CB-CG2 3.95Å
270G88.8Confident94Very high26 Ų2615.9 Ų15.927%0.26810%0.101SC..  trans87.742.3-177.800000114.4G268 T272 F273 V274G268-G270 PolarHBondContact O-N 3.25Å; G268-G270 VanDerWaalsContact O-N 3.07Å; G270-T272 VanDerWaalsContact C-N 3.26Å; G270-T272 PolarHBondContact O-N 2.63Å; G270-F273 WeakPolarHBondContact O-CA 3.38Å; G270-F273 WeakPolarHBondContact O-CB 3.04Å; G270-F273 PolarHBondContact O-N 2.88Å; G270-V274 PolarHBondContact O-N 3.05Å; G270-V274 VanDerWaalsContact O-N 3.11Å
271K92.4Very high93.9Very high21 Ų2119 Ų199%0.09112%0.115CC..Hα-helixtrans-51.2-42.1175.8-69-160.7-70.2-85.10113.1A265 F273 V274 S275 L409 T410A265-K271 HydrophobicContact CB-CD 4.45Å; A265-K271 HydrophobicContact CB-CG 4.38Å; A265-K271 PolarHBondContact O-NZ 3.32Å; K271-F273 VanDerWaalsContact C-N 3.29Å; K271-F273 PolarHBondContact O-N 2.97Å; K271-V274 WeakPolarHBondContact O-CA 3.38Å; K271-V274 WeakPolarHBondContact O-CB 3.36Å; K271-V274 PolarHBondContact O-N 3.06Å; K271-V274 VanDerWaalsContact O-N 3.09Å; K271-S275 PolarHBondContact O-N 3.08Å; K271-S275 PolarHBondContact O-OG 2.96Å; K271-L409 HydrophobicContact CD-CB 4.31Å; K271-T410 WeakPolarHBondContact CD-O 3.42Å; K271-T410 VanDerWaalsContact CE-C 3.47Å; K271-T410 WeakPolarHBondContact CE-O 3.34Å; K271-T410 PolarHBondContact NZ-O 2.83Å
272T91.9Very high93.8Very high38 Ų3819.9 Ų19.923%0.23312%0.119CC..Hα-helixtrans-53.1-44.1171.6-63.60000112.5G270 V274 S275 L276 Q307 V310G270-T272 VanDerWaalsContact C-N 3.26Å; G270-T272 PolarHBondContact O-N 2.63Å; T272-V274 VanDerWaalsContact C-N 3.35Å; T272-V274 PolarHBondContact O-N 2.77Å; T272-S275 WeakPolarHBondContact CA-OG 3.37Å; T272-S275 PolarHBondContact O-N 3.41Å; T272-S275 PolarHBondContact O-OG 3.14Å; T272-L276 WeakPolarHBondContact O-CG 2.99Å; T272-L276 PolarHBondContact O-N 3.47Å; T272-Q307 PolarHBondContact OG1-OE1 2.9Å; T272-Q307 VanDerWaalsContact OG1-OE1 3.07Å; T272-V310 HydrophobicContact CG2-CG1 3.78Å
273F94.2Very high93.6Very high37 Ų3720.3 Ų20.316%0.16212%0.122CC..Hα-helixtrans-67.5-36.6178.7-165.4-103.1000111.6L242 P244 G270 K271 S275 L276 L277L242-F273 HydrophobicContact CB-CE2 4.09Å; L242-F273 HydrophobicContact CB-CZ 4.15Å; L242-F273 WeakPolarHBondContact O-CZ 3.45Å; P244-F273 HydrophobicContact CB-CE1 4.03Å; G270-F273 WeakPolarHBondContact O-CA 3.38Å; G270-F273 WeakPolarHBondContact O-CB 3.04Å; G270-F273 PolarHBondContact O-N 2.88Å; K271-F273 VanDerWaalsContact C-N 3.29Å; K271-F273 PolarHBondContact O-N 2.97Å; F273-S275 VanDerWaalsContact C-N 3.34Å; F273-S275 PolarHBondContact O-N 3.04Å; F273-L276 HydrophobicContact CD2-CD1 4.08Å; F273-L276 WeakPolarHBondContact O-CB 3.38Å; F273-L276 PolarHBondContact O-N 3.32Å; F273-L277 HydrophobicContact CD1-CD1 3.95Å; F273-L277 HydrophobicContact CD1-CG 4.24Å; F273-L277 HydrophobicContact CE1-CD1 3.92Å; F273-L277 HydrophobicContact CE1-CD2 4.09Å; F273-L277 HydrophobicContact CE1-CG 4.07Å; F273-L277 HydrophobicContact CZ-CD2 4.4Å; F273-L277 WeakPolarHBondContact O-CG 3.28Å; F273-L277 PolarHBondContact O-N 3.02Å
274V96.8Very high93.4Very high0 Ų026.9 Ų26.90%015%0.146CC..Hα-helixtrans-60.7-41.6171.2-1790000111.1Q248 L251 A252 I263 G270 K271 T272 L276 L277 I278Q248-V274 HydrophobicContact CB-CG2 3.97Å; Q248-V274 HydrophobicContact CG-CG2 4.09Å; L251-V274 HydrophobicContact CB-CG1 4.04Å; L251-V274 HydrophobicContact CB-CG2 4.43Å; L251-V274 HydrophobicContact CD1-CG2 4.43Å; A252-V274 HydrophobicContact CB-CG1 4.15Å; I263-V274 HydrophobicContact CD1-CG1 3.85Å; G270-V274 PolarHBondContact O-N 3.05Å; G270-V274 VanDerWaalsContact O-N 3.11Å; K271-V274 WeakPolarHBondContact O-CA 3.38Å; K271-V274 WeakPolarHBondContact O-CB 3.36Å; K271-V274 PolarHBondContact O-N 3.06Å; K271-V274 VanDerWaalsContact O-N 3.09Å; T272-V274 VanDerWaalsContact C-N 3.35Å; T272-V274 PolarHBondContact O-N 2.77Å; V274-L276 PolarHBondContact O-N 2.76Å; V274-L277 PolarHBondContact O-N 3.04Å; V274-I278 HydrophobicContact CG1-CD1 3.95Å; V274-I278 WeakPolarHBondContact O-CD1 3.14Å; V274-I278 VanDerWaalsContact O-CG1 3.29Å; V274-I278 WeakPolarHBondContact O-CG1 3.37Å; V274-I278 PolarHBondContact O-N 2.89Å
275S96.8Very high93.1Very high0 Ų029.7 Ų29.70%017%0.166CC..Hα-helixtrans-66.8-32.2173.643.80000114.1K271 T272 F273 I278 C279K271-S275 PolarHBondContact O-N 3.08Å; K271-S275 PolarHBondContact O-OG 2.96Å; T272-S275 WeakPolarHBondContact CA-OG 3.37Å; T272-S275 PolarHBondContact O-N 3.41Å; T272-S275 PolarHBondContact O-OG 3.14Å; F273-S275 VanDerWaalsContact C-N 3.34Å; F273-S275 PolarHBondContact O-N 3.04Å; S275-I278 PolarHBondContact O-N 2.7Å; S275-C279 WeakPolarHBondContact O-CB 3.05Å; S275-C279 PolarHBondContact O-N 3.4Å
276L96.9Very high92.8Very high7 Ų732.1 Ų32.14%0.03718%0.176CC..Hα-helixtrans-62.6-46.5170.9-63.3177.3000110.9T272 F273 V274 I278 C279 E280 V310 F311 H314 F315T272-L276 WeakPolarHBondContact O-CG 2.99Å; T272-L276 PolarHBondContact O-N 3.47Å; F273-L276 HydrophobicContact CD2-CD1 4.08Å; F273-L276 WeakPolarHBondContact O-CB 3.38Å; F273-L276 PolarHBondContact O-N 3.32Å; V274-L276 PolarHBondContact O-N 2.76Å; L276-I278 VanDerWaalsContact C-N 3.28Å; L276-I278 PolarHBondContact O-N 3.29Å; L276-C279 PolarHBondContact O-N 3.11Å; L276-E280 VanDerWaalsContact O-CB 3.26Å; L276-E280 WeakPolarHBondContact O-CB 2.75Å; L276-E280 PolarHBondContact O-N 2.83Å; L276-V310 HydrophobicContact CD1-CG1 4.01Å; L276-V310 HydrophobicContact CD2-CG1 4.48Å; L276-F311 HydrophobicContact CD2-CD1 3.87Å; L276-F311 HydrophobicContact CD2-CD2 3.88Å; L276-F311 HydrophobicContact CD2-CE1 3.89Å; L276-F311 HydrophobicContact CD2-CE2 3.9Å; L276-F311 HydrophobicContact CD2-CG 3.88Å; L276-F311 HydrophobicContact CD2-CZ 3.9Å; L276-H314 HydrophobicContact CD1-CB 4.18Å; L276-H314 HydrophobicContact CD2-CB 4.11Å; L276-F315 HydrophobicContact CD2-CD2 4.26Å; L276-F315 HydrophobicContact CD2-CE2 3.54Å; L276-F315 HydrophobicContact CD2-CZ 4.33Å
277L96.8Very high92.6Very high24 Ų2433.3 Ų33.313%0.12618%0.184CC..Hα-helixtrans-62.5-32.2177.9-64.5168.9000113.3P244 Q248 Q256 F273 V274 H281P244-L277 HydrophobicContact CB-CD1 3.82Å; P244-L277 HydrophobicContact CB-CD2 4.27Å; P244-L277 HydrophobicContact CG-CD2 4.41Å; Q248-L277 HydrophobicContact CB-CD1 4.36Å; Q256-L277 PolarHBondContact NE2-O 3.39Å; F273-L277 HydrophobicContact CD1-CD1 3.95Å; F273-L277 HydrophobicContact CD1-CG 4.24Å; F273-L277 HydrophobicContact CE1-CD1 3.92Å; F273-L277 HydrophobicContact CE1-CD2 4.09Å; F273-L277 HydrophobicContact CE1-CG 4.07Å; F273-L277 HydrophobicContact CZ-CD2 4.4Å; F273-L277 WeakPolarHBondContact O-CG 3.28Å; F273-L277 PolarHBondContact O-N 3.02Å; V274-L277 PolarHBondContact O-N 3.04Å; L277-H281 WeakPolarHBondContact O-CB 3.14Å; L277-H281 PolarHBondContact O-N 2.97Å
278I98Very high92.1Very high2 Ų242.1 Ų42.11%0.0122%0.224CC..Hα-helixtrans-74.7-49.3175.6-66.9163.6000110A252 A255 I263 V274 S275 L276 E280 H281 H282 L369 I407A252-I278 HydrophobicContact CB-CG1 4Å; A255-I278 HydrophobicContact CB-CD1 3.56Å; A255-I278 HydrophobicContact CB-CG1 3.78Å; A255-I278 HydrophobicContact CB-CG2 3.91Å; I263-I278 HydrophobicContact CD1-CD1 3.45Å; I263-I278 VanDerWaalsContact CD1-CD1 3.45Å; V274-I278 HydrophobicContact CG1-CD1 3.95Å; V274-I278 WeakPolarHBondContact O-CD1 3.14Å; V274-I278 VanDerWaalsContact O-CG1 3.29Å; V274-I278 WeakPolarHBondContact O-CG1 3.37Å; V274-I278 PolarHBondContact O-N 2.89Å; S275-I278 PolarHBondContact O-N 2.7Å; L276-I278 VanDerWaalsContact C-N 3.28Å; L276-I278 PolarHBondContact O-N 3.29Å; I278-E280 PolarHBondContact O-N 3.29Å; I278-H281 PolarHBondContact O-N 3.08Å; I278-H282 VanDerWaalsContact O-CB 3.25Å; I278-H282 WeakPolarHBondContact O-CB 3.1Å; I278-H282 PolarHBondContact O-N 3.39Å; I278-L369 HydrophobicContact CG2-CD2 4.31Å; I278-I407 HydrophobicContact CD1-CG2 4.44Å; I278-I407 HydrophobicContact CG2-CG1 4.44Å
279C97.4Very high91.9Very high0 Ų044.7 Ų44.70%025%0.251CS..Hα-helixtrans-61.6-41.9179.8178.80000112.2S275 L276 H282 L283 F311 F315S275-C279 WeakPolarHBondContact O-CB 3.05Å; S275-C279 PolarHBondContact O-N 3.4Å; L276-C279 PolarHBondContact O-N 3.11Å; C279-H282 PolarHBondContact O-N 3.42Å; C279-L283 WeakPolarHBondContact O-CB 3.32Å; C279-L283 WeakPolarHBondContact O-CG 3.25Å; C279-L283 PolarHBondContact O-N 3.04Å; C279-F311 HydrophobicContact CB-CE1 4.39Å; C279-F315 HydrophobicContact CB-CE2 4.21Å; C279-F315 HydrophobicContact CB-CZ 3.7Å; C279-F315 WeakPolarHBondContact SG-CZ 3.23Å
280E95.6Very high91.7Very high36 Ų3650.6 Ų50.617%0.16828%0.278CS..Hα-helixtrans-66.8-37.7176.9-173.7177.4159.100112.8L276 I278 R284 H314 F315 L318L276-E280 VanDerWaalsContact O-CB 3.26Å; L276-E280 WeakPolarHBondContact O-CB 2.75Å; L276-E280 PolarHBondContact O-N 2.83Å; I278-E280 PolarHBondContact O-N 3.29Å; E280-R284 WeakPolarHBondContact O-CB 3.39Å; E280-R284 WeakPolarHBondContact O-CG 3.09Å; E280-R284 PolarHBondContact O-N 3.16Å; E280-R284 IonicContact OE1-CZ 3.01Å; E280-R284 IonicContact OE1-NH1 3.52Å; E280-R284 PolarHBondContact OE1-NH1 2.69Å; E280-R284 IonicContact OE1-NH2 2.71Å; E280-R284 PolarHBondContact OE1-NH2 3.2Å; E280-H314 IonicContact OE2-CD2 2.76Å; E280-H314 IonicContact OE2-CE1 2.69Å; E280-H314 PolarHBondContact OE2-CE1 2.88Å; E280-H314 IonicContact OE2-NE2 2.73Å; E280-H314 PolarHBondContact OE2-NE2 3.39Å; E280-F315 HydrophobicContact CB-CE1 3.81Å; E280-F315 HydrophobicContact CB-CZ 4.13Å; E280-F315 HydrophobicContact CG-CE1 4.39Å; E280-L318 HydrophobicContact CG-CD1 4.07Å
281H96.4Very high91.6Very high88 Ų8856.3 Ų56.341%0.40730%0.295SS..Hα-helixtrans-68.9-45.2173.3-173.993.1000111.4Q256 L277 I278 R284 S285Q256-H281 HydrophobicContact CG-CB 3.83Å; Q256-H281 PolarHBondContact O-NE2 3.46Å; L277-H281 WeakPolarHBondContact O-CB 3.14Å; L277-H281 PolarHBondContact O-N 2.97Å; I278-H281 PolarHBondContact O-N 3.08Å; H281-R284 PolarHBondContact O-N 3.32Å; H281-S285 PolarHBondContact O-N 3.01Å; H281-S285 VanDerWaalsContact O-N 3.08Å
282H96.8Very high91.6Very high18 Ų1855.4 Ų55.48%0.08329%0.293CS..Hα-helixtrans-57.8-54.9179.6-178.180.2000111.2I278 C279 R284 S285 F286 T368 L369I278-H282 VanDerWaalsContact O-CB 3.25Å; I278-H282 WeakPolarHBondContact O-CB 3.1Å; I278-H282 PolarHBondContact O-N 3.39Å; C279-H282 PolarHBondContact O-N 3.42Å; H282-R284 VanDerWaalsContact C-N 3.27Å; H282-R284 PolarHBondContact O-N 2.73Å; H282-S285 WeakPolarHBondContact O-CB 3.46Å; H282-S285 PolarHBondContact O-N 2.87Å; H282-S285 PolarHBondContact O-OG 2.84Å; H282-F286 AromaticContact CD2-CE2 3.85Å; H282-F286 AromaticContact CE1-CE2 3.83Å; H282-F286 AromaticContact NE2-CE2 3.49Å; H282-F286 WeakPolarHBondContact NE2-CE2 3.5Å; H282-F286 AromaticContact NE2-CZ 3.82Å; H282-F286 VanDerWaalsContact O-CD2 3.23Å; H282-F286 WeakPolarHBondContact O-CD2 3.25Å; H282-F286 WeakPolarHBondContact O-CE2 3.21Å; H282-T368 PolarHBondContact CE1-O 2.91Å; H282-T368 PolarHBondContact NE2-OG1 3Å; H282-L369 HydrophobicContact CB-CD2 3.92Å
283L95.1Very high91.8Very high9 Ų955.1 Ų55.15%0.04729%0.288CS..Hα-helixtrans-63.1-28.3-179.5-72.8171.8000113.7C279 G292 V294 F315 Y320 I344C279-L283 WeakPolarHBondContact O-CB 3.32Å; C279-L283 WeakPolarHBondContact O-CG 3.25Å; C279-L283 PolarHBondContact O-N 3.04Å; L283-G292 VanDerWaalsContact CD2-O 3.26Å; L283-G292 WeakPolarHBondContact CD2-O 3.06Å; L283-V294 HydrophobicContact CD1-CG2 4.34Å; L283-V294 HydrophobicContact CD2-CG2 3.89Å; L283-V294 HydrophobicContact CG-CG2 3.99Å; L283-F315 HydrophobicContact CD1-CD1 4.44Å; L283-F315 HydrophobicContact CD1-CE1 4.32Å; L283-Y320 HydrophobicContact CB-CE1 3.82Å; L283-Y320 HydrophobicContact CB-CE2 4.24Å; L283-Y320 HydrophobicContact CD1-CD1 4.09Å; L283-Y320 HydrophobicContact CD1-CD2 4.23Å; L283-Y320 HydrophobicContact CD1-CE1 4.18Å; L283-Y320 HydrophobicContact CD1-CE2 4.32Å; L283-Y320 HydrophobicContact CD1-CG 4.1Å; L283-Y320 HydrophobicContact CD2-CD1 4.49Å; L283-Y320 HydrophobicContact CD2-CE1 4.32Å; L283-Y320 HydrophobicContact CG-CE1 4.34Å; L283-Y320 PolarHBondContact O-OH 3.29Å; L283-I344 HydrophobicContact CD1-CD1 3.75Å; L283-I344 HydrophobicContact CD1-CG1 3.88Å
284R92.8Very high92Very high137 Ų13753.3 Ų53.352%0.51728%0.28SS..Hα-helixtrans-83.2-11.6173.5-73.6-172.6-174.2133.711.7114.4E280 H281 H282 F286E280-R284 WeakPolarHBondContact O-CB 3.39Å; E280-R284 WeakPolarHBondContact O-CG 3.09Å; E280-R284 PolarHBondContact O-N 3.16Å; E280-R284 IonicContact OE1-CZ 3.01Å; E280-R284 IonicContact OE1-NH1 3.52Å; E280-R284 PolarHBondContact OE1-NH1 2.69Å; E280-R284 IonicContact OE1-NH2 2.71Å; E280-R284 PolarHBondContact OE1-NH2 3.2Å; H281-R284 PolarHBondContact O-N 3.32Å; H282-R284 VanDerWaalsContact C-N 3.27Å; H282-R284 PolarHBondContact O-N 2.73Å; R284-F286 VanDerWaalsContact C-N 3.32Å
285S91.8Very high92.1Very high74 Ų7453.3 Ų53.352%0.51728%0.28SS..SBendtrans-80.1-14.2-179.374.30000113.4H281 H282H281-S285 PolarHBondContact O-N 3.01Å; H281-S285 VanDerWaalsContact O-N 3.08Å; H282-S285 WeakPolarHBondContact O-CB 3.46Å; H282-S285 PolarHBondContact O-N 2.87Å; H282-S285 PolarHBondContact O-OG 2.84Å
286F89.1Confident92.2Very high52 Ų5253.3 Ų53.323%0.22828%0.28CS..SBendtrans-74.4132.8-179.7-73.9-92.4000112.6H282 R284 Q290 G292 T368H282-F286 AromaticContact CD2-CE2 3.85Å; H282-F286 AromaticContact CE1-CE2 3.83Å; H282-F286 AromaticContact NE2-CE2 3.49Å; H282-F286 WeakPolarHBondContact NE2-CE2 3.5Å; H282-F286 AromaticContact NE2-CZ 3.82Å; H282-F286 VanDerWaalsContact O-CD2 3.23Å; H282-F286 WeakPolarHBondContact O-CD2 3.25Å; H282-F286 WeakPolarHBondContact O-CE2 3.21Å; R284-F286 VanDerWaalsContact C-N 3.32Å; F286-Q290 HydrophobicContact CB-CB 4.4Å; F286-Q290 HydrophobicContact CD1-CB 4.13Å; F286-G292 VanDerWaalsContact CE2-CA 3.41Å; F286-T368 HydrophobicContact CE1-CG2 4.2Å; F286-T368 HydrophobicContact CZ-CG2 3.93Å
287P85.6Confident92.2Very high77 Ų7753 Ų5350%0.528%0.278SS..PPolyproline II helixtrans-60.1155.6172.4-24.334.6000113.1G289 Q290P287-G289 PolarHBondContact O-N 2.81Å; P287-Q290 PolarHBondContact O-N 3.35Å
288H75.3Confident92Very high202 Ų20251.9 Ų51.994%0.93527%0.272SS*.THydrogen-bonded Turntrans-56.6129.2175.5-70.926.8000111
289G75.3Confident91.4Very high90 Ų9054.5 Ų54.593%0.92829%0.286SS*.THydrogen-bonded Turntrans92.7-11.1-174.800000114.7P287P287-G289 PolarHBondContact O-N 2.81Å
290Q82.9Confident90.7Very high124 Ų12457.1 Ų57.158%0.57930%0.299SS*.  trans-103151.4165.1-62.6-175.60.200110.1F286 P287F286-Q290 HydrophobicContact CB-CB 4.4Å; F286-Q290 HydrophobicContact CD1-CB 4.13Å; P287-Q290 PolarHBondContact O-N 3.35Å
291K86.1Confident90Very high146 Ų14656.4 Ų56.464%0.63530%0.296SS*.  trans-124.6127.7173.5-82.3-170.1154.6-142.50109.8D343K291-D343 WeakPolarHBondContact CD-OD1 3.35Å; K291-D343 VanDerWaalsContact NZ-CG 3.26Å; K291-D343 IonicContact NZ-OD1 3.72Å; K291-D343 PolarHBondContact NZ-OD1 2.88Å; K291-D343 IonicContact NZ-OD2 2.72Å; K291-D343 PolarHBondContact NZ-OD2 3.32Å
292G92.7Very high89.2Confident3 Ų353.5 Ų53.53%0.03129%0.285CS..  trans-71.2143.5161.300000109.9L283 F286L283-G292 VanDerWaalsContact CD2-O 3.26Å; L283-G292 WeakPolarHBondContact CD2-O 3.06Å; F286-G292 VanDerWaalsContact CE2-CA 3.41Å
293K96Very high88.7Confident31 Ų3152.8 Ų52.814%0.13528%0.282CS..  trans-125.6132.2171.2-167.1179.4-64.2-77.50110.4I339 E340 Y342 D343 I345 V366 F367 T368 L369K293-I339 HydrophobicContact CD-CG2 4.39Å; K293-I339 WeakPolarHBondContact CD-O 3.4Å; K293-I339 WeakPolarHBondContact CE-O 3.47Å; K293-I339 PolarHBondContact NZ-O 2.92Å; K293-E340 PolarHBondContact NZ-O 2.82Å; K293-Y342 PolarHBondContact NZ-O 3.3Å; K293-D343 WeakPolarHBondContact CA-O 3.01Å; K293-I345 HydrophobicContact CD-CD1 3.99Å; K293-I345 HydrophobicContact CG-CD1 3.8Å; K293-V366 WeakPolarHBondContact CD-O 3.24Å; K293-F367 HydrophobicContact CD-CD1 4.26Å; K293-F367 HydrophobicContact CG-CD1 4.27Å; K293-T368 PolarHBondContact N-OG1 3.39Å; K293-T368 PolarHBondContact O-N 3.02Å; K293-T368 PolarHBondContact O-OG1 2.83Å; K293-L369 PolarHBondContact O-N 2.87Å
294V98.4Very high88.4Confident0 Ų052.8 Ų52.80%028%0.281CS..EExtended strand (participates in β ladder)trans-121.3136.9-170.8-175.10000110.2L283 D343 I344 I345 L369 I371L283-V294 HydrophobicContact CD1-CG2 4.34Å; L283-V294 HydrophobicContact CD2-CG2 3.89Å; L283-V294 HydrophobicContact CG-CG2 3.99Å; V294-D343 PolarHBondContact N-O 2.82Å; V294-I344 HydrophobicContact CB-CG1 4.42Å; V294-I344 WeakPolarHBondContact O-CA 3.45Å; V294-I345 PolarHBondContact O-N 3.44Å; V294-L369 WeakPolarHBondContact CA-O 2.95Å; V294-L369 HydrophobicContact CG1-CB 4.28Å; V294-L369 HydrophobicContact CG1-CD2 3.9Å; V294-L369 HydrophobicContact CG1-CG 4.04Å; V294-L369 HydrophobicContact CG2-CB 4.22Å; V294-L369 HydrophobicContact CG2-CD2 4.16Å; V294-I371 HydrophobicContact CG1-CD1 4.23Å
295V98.3Very high88.1Confident0 Ų048.9 Ų48.90%027%0.269CS..EExtended strand (participates in β ladder)trans-119.8133.3168.760.50000111F297 I345 L347 F367 L369 M370 I371V295-F297 HydrophobicContact CB-CZ 4.36Å; V295-F297 HydrophobicContact CG1-CE2 3.92Å; V295-F297 HydrophobicContact CG1-CZ 3.71Å; V295-F297 HydrophobicContact CG2-CD1 4.16Å; V295-F297 HydrophobicContact CG2-CE1 3.6Å; V295-F297 HydrophobicContact CG2-CE2 4.26Å; V295-F297 HydrophobicContact CG2-CZ 3.65Å; V295-I345 CarbonylContact C-O 3.5Å; V295-I345 VanDerWaalsContact CA-O 3.27Å; V295-I345 WeakPolarHBondContact CA-O 3.4Å; V295-L347 HydrophobicContact CG2-CB 4.28Å; V295-L347 HydrophobicContact CG2-CD1 3.7Å; V295-L347 HydrophobicContact CG2-CG 3.93Å; V295-F367 HydrophobicContact CB-CD1 3.78Å; V295-F367 HydrophobicContact CB-CE1 3.7Å; V295-F367 HydrophobicContact CB-CG 4.24Å; V295-F367 HydrophobicContact CB-CZ 4.08Å; V295-F367 HydrophobicContact CG1-CB 4.28Å; V295-F367 HydrophobicContact CG1-CD1 3.8Å; V295-F367 HydrophobicContact CG1-CD2 3.92Å; V295-F367 HydrophobicContact CG1-CE1 4.06Å; V295-F367 HydrophobicContact CG1-CE2 4.17Å; V295-F367 HydrophobicContact CG1-CG 3.72Å; V295-F367 HydrophobicContact CG1-CZ 4.22Å; V295-F367 HydrophobicContact CG2-CE1 4.33Å; V295-F367 HydrophobicContact CG2-CZ 4.32Å; V295-L369 PolarHBondContact N-O 3.18Å; V295-M370 HydrophobicContact CG1-CB 4.11Å; V295-M370 HydrophobicContact CG1-CG 3.65Å; V295-M370 HydrophobicContact CG1-SD 4.46Å; V295-M370 WeakPolarHBondContact O-CA 3.25Å; V295-I371 PolarHBondContact O-N 3.04Å
296F98.5Very high87.8Confident0 Ų048.1 Ų48.10%026%0.257CS..EExtended strand (participates in β ladder)trans-114.5125.1173.7-171.5-72000109.4A298 Q307 F311 I345 I346 L347 I371 D373 L409F296-A298 HydrophobicContact CE1-CB 4.48Å; F296-Q307 HydrophobicContact CD1-CB 4.38Å; F296-Q307 HydrophobicContact CD1-CG 4.28Å; F296-Q307 HydrophobicContact CE1-CB 4.23Å; F296-Q307 HydrophobicContact CE1-CG 3.64Å; F296-Q307 HydrophobicContact CZ-CG 3.96Å; F296-F311 HydrophobicContact CD2-CE1 4.3Å; F296-F311 AromaticContact CD2-CE2 3.83Å; F296-F311 HydrophobicContact CD2-CE2 3.83Å; F296-F311 AromaticContact CD2-CZ 3.46Å; F296-F311 HydrophobicContact CD2-CZ 3.46Å; F296-F311 VanDerWaalsContact CD2-CZ 3.46Å; F296-F311 AromaticContact CE2-CE2 3.96Å; F296-F311 HydrophobicContact CE2-CE2 3.96Å; F296-F311 AromaticContact CE2-CZ 3.84Å; F296-F311 HydrophobicContact CE2-CZ 3.84Å; F296-F311 HydrophobicContact CG-CE2 4.44Å; F296-F311 HydrophobicContact CG-CZ 4.29Å; F296-I345 PolarHBondContact N-O 3.24Å; F296-I346 HydrophobicContact CB-CD1 3.71Å; F296-I346 HydrophobicContact CD1-CG2 4.47Å; F296-I346 HydrophobicContact CG-CD1 4.39Å; F296-I346 CarbonylContact O-C 3.56Å; F296-I346 WeakPolarHBondContact O-CA 3.39Å; F296-L347 PolarHBondContact O-N 2.86Å; F296-I371 CarbonylContact C-O 3.55Å; F296-I371 WeakPolarHBondContact CA-O 3.49Å; F296-I371 HydrophobicContact CD2-CB 3.78Å; F296-I371 HydrophobicContact CD2-CD1 4.24Å; F296-I371 HydrophobicContact CD2-CG2 3.64Å; F296-I371 HydrophobicContact CE2-CB 4.34Å; F296-I371 HydrophobicContact CE2-CG2 3.67Å; F296-I371 HydrophobicContact CG-CB 4.37Å; F296-D373 HydrophobicContact CE1-CB 3.76Å; F296-D373 HydrophobicContact CZ-CB 3.77Å; F296-L409 HydrophobicContact CE2-CD1 4.09Å; F296-L409 HydrophobicContact CZ-CD1 4.25Å
297F97.5Very high88Confident0 Ų046 Ų460%025%0.248CC..EExtended strand (participates in β ladder)trans-99.5129.9178.6-56.2-71.2000112.2V295 L347 P349 L352 M370 I371 F372 D373 Y384 I387V295-F297 HydrophobicContact CB-CZ 4.36Å; V295-F297 HydrophobicContact CG1-CE2 3.92Å; V295-F297 HydrophobicContact CG1-CZ 3.71Å; V295-F297 HydrophobicContact CG2-CD1 4.16Å; V295-F297 HydrophobicContact CG2-CE1 3.6Å; V295-F297 HydrophobicContact CG2-CE2 4.26Å; V295-F297 HydrophobicContact CG2-CZ 3.65Å; F297-L347 WeakPolarHBondContact CA-O 2.96Å; F297-L347 HydrophobicContact CD1-CB 4Å; F297-L347 HydrophobicContact CE1-CB 4.2Å; F297-L347 HydrophobicContact CE1-CD1 4.16Å; F297-P349 HydrophobicContact CD1-CB 4.12Å; F297-L352 HydrophobicContact CE1-CB 4.3Å; F297-L352 HydrophobicContact CE1-CD2 3.59Å; F297-L352 HydrophobicContact CZ-CD2 3.46Å; F297-L352 VanDerWaalsContact CZ-CD2 3.46Å; F297-M370 HydrophobicContact CE2-CB 4.11Å; F297-M370 HydrophobicContact CE2-CG 4.35Å; F297-M370 HydrophobicContact CE2-SD 4.13Å; F297-M370 HydrophobicContact CZ-SD 4.34Å; F297-I371 PolarHBondContact N-O 2.6Å; F297-F372 HydrophobicContact CB-CD1 4.35Å; F297-F372 AromaticContact CD2-CD1 3.47Å; F297-F372 HydrophobicContact CD2-CD1 3.47Å; F297-F372 VanDerWaalsContact CD2-CD1 3.47Å; F297-F372 HydrophobicContact CD2-CD2 4.3Å; F297-F372 AromaticContact CD2-CE1 3.42Å; F297-F372 HydrophobicContact CD2-CE1 3.42Å; F297-F372 VanDerWaalsContact CD2-CE1 3.42Å; F297-F372 HydrophobicContact CD2-CE2 4.24Å; F297-F372 AromaticContact CD2-CG 3.94Å; F297-F372 HydrophobicContact CD2-CG 3.94Å; F297-F372 AromaticContact CD2-CZ 3.83Å; F297-F372 HydrophobicContact CD2-CZ 3.83Å; F297-F372 HydrophobicContact CE2-CD1 4.12Å; F297-F372 AromaticContact CE2-CE1 3.59Å; F297-F372 HydrophobicContact CE2-CE1 3.59Å; F297-F372 HydrophobicContact CE2-CE2 4.12Å; F297-F372 AromaticContact CE2-CZ 3.59Å; F297-F372 HydrophobicContact CE2-CZ 3.59Å; F297-F372 HydrophobicContact CG-CD1 4.2Å; F297-F372 HydrophobicContact CG-CE1 4.28Å; F297-D373 WeakPolarHBondContact O-CB 3.29Å; F297-D373 PolarHBondContact O-N 2.88Å; F297-D373 VanDerWaalsContact O-N 3.13Å; F297-Y384 HydrophobicContact CB-CD1 4.45Å; F297-Y384 HydrophobicContact CB-CE1 3.6Å; F297-Y384 HydrophobicContact CG-CE1 4.37Å; F297-Y384 PolarHBondContact O-OH 2.69Å; F297-I387 HydrophobicContact CD1-CD1 4.32Å; F297-I387 HydrophobicContact CE1-CD1 3.89Å; F297-I387 HydrophobicContact CZ-CD1 4.02Å
298A92.1Very high88.3Confident0 Ų044.8 Ų44.80%024%0.236CC..  trans-124.3128.417300000110.7F296 Q300 V303 L347 P349F296-A298 HydrophobicContact CE1-CB 4.48Å; A298-Q300 PolarHBondContact O-N 2.76Å; A298-V303 HydrophobicContact CB-CB 4.32Å; A298-V303 HydrophobicContact CB-CG1 4.06Å; A298-L347 PolarHBondContact N-O 2.82Å; A298-P349 WeakPolarHBondContact O-CD 3.29Å
299N86.6Confident89.1Confident57 Ų5738.8 Ų38.831%0.30521%0.213SC..SBendtrans-76.4-17.4-174.8-70.5-39.9000114.7H382 Y384N299-H382 PolarHBondContact OD1-CE1 3Å; N299-H382 VanDerWaalsContact OD1-CE1 3.25Å; N299-Y384 PolarHBondContact ND2-OH 2.89Å; N299-Y384 WeakPolarHBondContact OD1-CE1 3.36Å; N299-Y384 PolarHBondContact OD1-OH 2.97Å
300Q82.1Confident89.9Confident55 Ų5536.9 Ų36.926%0.25718%0.184SC..SBendtrans-131.6140.1-173.9-56178.87.500110.5A298 V303 Y304A298-Q300 PolarHBondContact O-N 2.76Å; Q300-V303 HydrophobicContact CB-CB 4.46Å; Q300-V303 HydrophobicContact CB-CG2 4.04Å; Q300-V303 WeakPolarHBondContact O-CB 3.22Å; Q300-V303 PolarHBondContact O-N 2.62Å; Q300-Y304 PolarHBondContact O-N 2.89Å
301I80.9Confident90.5Very high22 Ų2231 Ų3111%0.11316%0.156CC..Hα-helixtrans-55.7-44.7-178.3-50-63.9000113.6P218 V303 Y304 E305 T348 L676P218-I301 HydrophobicContact CG-CD1 4.45Å; I301-V303 PolarHBondContact O-N 2.75Å; I301-Y304 WeakPolarHBondContact O-CB 3.39Å; I301-Y304 PolarHBondContact O-N 3.29Å; I301-E305 HydrophobicContact CG2-CG 4.35Å; I301-E305 WeakPolarHBondContact CG2-OE1 3.32Å; I301-E305 WeakPolarHBondContact O-CG 3.15Å; I301-E305 PolarHBondContact O-N 3.34Å; I301-T348 HydrophobicContact CD1-CG2 3.88Å; I301-L676 HydrophobicContact CB-CD1 4.07Å; I301-L676 HydrophobicContact CG2-CD1 3.77Å
302P80Confident90.9Very high27 Ų2725 Ų2518%0.17513%0.133CC..Hα-helixtrans-62.1-28.6176.9-21.532.6000113.8Q306 L676 I705P302-Q306 WeakPolarHBondContact O-CB 3.26Å; P302-Q306 PolarHBondContact O-N 2.95Å; P302-L676 HydrophobicContact CG-CD1 3.91Å; P302-I705 HydrophobicContact CB-CG1 4.4Å
303V85.6Confident90.9Very high3 Ų333.8 Ų33.82%0.01817%0.165CC..Hα-helixtrans-77.4-44.3176.3-176.40000109.6A298 Q300 I301 E305 Q306 Q307 G704A298-V303 HydrophobicContact CB-CB 4.32Å; A298-V303 HydrophobicContact CB-CG1 4.06Å; Q300-V303 HydrophobicContact CB-CB 4.46Å; Q300-V303 HydrophobicContact CB-CG2 4.04Å; Q300-V303 WeakPolarHBondContact O-CB 3.22Å; Q300-V303 PolarHBondContact O-N 2.62Å; I301-V303 PolarHBondContact O-N 2.75Å; V303-E305 PolarHBondContact O-N 2.75Å; V303-Q306 PolarHBondContact O-N 2.97Å; V303-Q307 HydrophobicContact CG1-CG 4.24Å; V303-Q307 WeakPolarHBondContact O-CG 3.28Å; V303-Q307 PolarHBondContact O-N 3.14Å; V303-G704 VanDerWaalsContact CG2-C 3.46Å
304Y89.8Confident90.7Very high8 Ų833.2 Ų33.23%0.03116%0.163CC..Hα-helixtrans-52.5-52.8172.5158-82.7000111.3Q300 I301 Q306 Q307 E308 G324 V325 I346 T348Q300-Y304 PolarHBondContact O-N 2.89Å; I301-Y304 WeakPolarHBondContact O-CB 3.39Å; I301-Y304 PolarHBondContact O-N 3.29Å; Y304-Q306 VanDerWaalsContact C-N 3.29Å; Y304-Q306 PolarHBondContact O-N 3.16Å; Y304-Q307 PolarHBondContact O-N 3.25Å; Y304-E308 VanDerWaalsContact CE1-OE2 3.22Å; Y304-E308 WeakPolarHBondContact CE1-OE2 3.4Å; Y304-E308 WeakPolarHBondContact O-CB 3.2Å; Y304-E308 PolarHBondContact O-N 3.28Å; Y304-E308 PolarHBondContact OH-OE2 3.27Å; Y304-G324 WeakPolarHBondContact OH-CA 3.3Å; Y304-V325 WeakPolarHBondContact CE2-O 3.33Å; Y304-V325 PolarHBondContact OH-N 3.22Å; Y304-I346 HydrophobicContact CD2-CB 4.5Å; Y304-I346 HydrophobicContact CD2-CG2 3.9Å; Y304-I346 HydrophobicContact CE2-CB 4.38Å; Y304-I346 HydrophobicContact CE2-CG2 4.27Å; Y304-T348 HydrophobicContact CD2-CG2 4.34Å; Y304-T348 HydrophobicContact CG-CG2 4.45Å
305E85.6Confident90.5Very high56 Ų5633.2 Ų33.226%0.26216%0.163SC..Hα-helixtrans-59.5-39.9178.6-72.1173.1-156.300111.7I301 V303 T309 L676I301-E305 HydrophobicContact CG2-CG 4.35Å; I301-E305 WeakPolarHBondContact CG2-OE1 3.32Å; I301-E305 WeakPolarHBondContact O-CG 3.15Å; I301-E305 PolarHBondContact O-N 3.34Å; V303-E305 PolarHBondContact O-N 2.75Å; E305-T309 WeakPolarHBondContact O-CB 3.48Å; E305-T309 PolarHBondContact O-N 2.81Å; E305-T309 VanDerWaalsContact O-N 3.07Å; E305-T309 PolarHBondContact O-OG1 2.88Å; E305-L676 VanDerWaalsContact OE1-CD1 3.25Å; E305-L676 WeakPolarHBondContact OE1-CD1 3.43Å; E305-L676 WeakPolarHBondContact OE1-CD2 3.32Å
306Q86.3Confident90.2Very high58 Ų5838.3 Ų38.327%0.27119%0.186SC..Hα-helixtrans-66.9-44.6177.6-179.2174.63.800111.9P302 V303 Y304 V310P302-Q306 WeakPolarHBondContact O-CB 3.26Å; P302-Q306 PolarHBondContact O-N 2.95Å; V303-Q306 PolarHBondContact O-N 2.97Å; Y304-Q306 VanDerWaalsContact C-N 3.29Å; Y304-Q306 PolarHBondContact O-N 3.16Å; Q306-V310 WeakPolarHBondContact O-CB 3.29Å; Q306-V310 VanDerWaalsContact O-CG2 3.24Å; Q306-V310 WeakPolarHBondContact O-CG2 3.37Å; Q306-V310 PolarHBondContact O-N 3.38Å; Q306-V310 VanDerWaalsContact O-N 3.09Å
307Q91.8Very high89.7Confident6 Ų646.5 Ų46.53%0.02822%0.217CC..Hα-helixtrans-71.2-39.8179.2-57.3-44.2-53.600111.3T272 F296 V303 Y304 T309 V310 F311 I346T272-Q307 PolarHBondContact OG1-OE1 2.9Å; T272-Q307 VanDerWaalsContact OG1-OE1 3.07Å; F296-Q307 HydrophobicContact CD1-CB 4.38Å; F296-Q307 HydrophobicContact CD1-CG 4.28Å; F296-Q307 HydrophobicContact CE1-CB 4.23Å; F296-Q307 HydrophobicContact CE1-CG 3.64Å; F296-Q307 HydrophobicContact CZ-CG 3.96Å; V303-Q307 HydrophobicContact CG1-CG 4.24Å; V303-Q307 WeakPolarHBondContact O-CG 3.28Å; V303-Q307 PolarHBondContact O-N 3.14Å; Y304-Q307 PolarHBondContact O-N 3.25Å; Q307-T309 PolarHBondContact O-N 2.95Å; Q307-V310 PolarHBondContact O-N 2.9Å; Q307-V310 VanDerWaalsContact O-N 3.16Å; Q307-F311 HydrophobicContact CB-CD2 4.3Å; Q307-F311 HydrophobicContact CB-CE2 4.49Å; Q307-F311 WeakPolarHBondContact O-CB 3.46Å; Q307-F311 VanDerWaalsContact O-CD2 3.29Å; Q307-F311 WeakPolarHBondContact O-CD2 3.39Å; Q307-F311 PolarHBondContact O-N 3.39Å; Q307-I346 HydrophobicContact CB-CG2 4.28Å
308E92.8Very high89.3Confident53 Ų5349.4 Ų49.425%0.24823%0.233CC..Hα-helixtrans-53.3-54171.9-176.8169.2-152.100110.9Y304 V310 F311 S312 G324 I346Y304-E308 VanDerWaalsContact CE1-OE2 3.22Å; Y304-E308 WeakPolarHBondContact CE1-OE2 3.4Å; Y304-E308 WeakPolarHBondContact O-CB 3.2Å; Y304-E308 PolarHBondContact O-N 3.28Å; Y304-E308 PolarHBondContact OH-OE2 3.27Å; E308-V310 VanDerWaalsContact C-N 3.28Å; E308-V310 PolarHBondContact O-N 2.89Å; E308-F311 PolarHBondContact O-N 3.09Å; E308-S312 WeakPolarHBondContact O-CB 3.15Å; E308-S312 PolarHBondContact O-N 3.12Å; E308-G324 VanDerWaalsContact OE1-CA 3.23Å; E308-G324 WeakPolarHBondContact OE1-CA 3.46Å; E308-G324 PolarHBondContact OE1-N 3.44Å; E308-I346 HydrophobicContact CB-CG1 4.31Å
309T91.4Very high89.3Confident76 Ų7652.7 Ų52.747%0.46627%0.266SS..Hα-helixtrans-56.9-38.6176.9-55.30000113.2E305 Q307 R313E305-T309 WeakPolarHBondContact O-CB 3.48Å; E305-T309 PolarHBondContact O-N 2.81Å; E305-T309 VanDerWaalsContact O-N 3.07Å; E305-T309 PolarHBondContact O-OG1 2.88Å; Q307-T309 PolarHBondContact O-N 2.95Å; T309-R313 WeakPolarHBondContact O-CB 3.36Å; T309-R313 PolarHBondContact O-N 3.35Å
310V92.1Very high89.6Confident50 Ų5052.2 Ų52.230%0.30326%0.26SS..Hα-helixtrans-78.2-41.9-177.2168.10000112.2T272 L276 Q306 Q307 E308 H314T272-V310 HydrophobicContact CG2-CG1 3.78Å; L276-V310 HydrophobicContact CD1-CG1 4.01Å; L276-V310 HydrophobicContact CD2-CG1 4.48Å; Q306-V310 WeakPolarHBondContact O-CB 3.29Å; Q306-V310 VanDerWaalsContact O-CG2 3.24Å; Q306-V310 WeakPolarHBondContact O-CG2 3.37Å; Q306-V310 PolarHBondContact O-N 3.38Å; Q306-V310 VanDerWaalsContact O-N 3.09Å; Q307-V310 PolarHBondContact O-N 2.9Å; Q307-V310 VanDerWaalsContact O-N 3.16Å; E308-V310 VanDerWaalsContact C-N 3.28Å; E308-V310 PolarHBondContact O-N 2.89Å; V310-H314 WeakPolarHBondContact O-CB 3.46Å; V310-H314 PolarHBondContact O-N 3.14Å
311F95.5Very high90.3Very high0 Ų051.3 Ų51.30%026%0.26CS..Hα-helixtrans-70.7-47.5179.6-85.2-108.4000111L276 C279 F296 Q307 E308 R313 H314 F315 V322 I344 I346L276-F311 HydrophobicContact CD2-CD1 3.87Å; L276-F311 HydrophobicContact CD2-CD2 3.88Å; L276-F311 HydrophobicContact CD2-CE1 3.89Å; L276-F311 HydrophobicContact CD2-CE2 3.9Å; L276-F311 HydrophobicContact CD2-CG 3.88Å; L276-F311 HydrophobicContact CD2-CZ 3.9Å; C279-F311 HydrophobicContact CB-CE1 4.39Å; F296-F311 HydrophobicContact CD2-CE1 4.3Å; F296-F311 AromaticContact CD2-CE2 3.83Å; F296-F311 HydrophobicContact CD2-CE2 3.83Å; F296-F311 AromaticContact CD2-CZ 3.46Å; F296-F311 HydrophobicContact CD2-CZ 3.46Å; F296-F311 VanDerWaalsContact CD2-CZ 3.46Å; F296-F311 AromaticContact CE2-CE2 3.96Å; F296-F311 HydrophobicContact CE2-CE2 3.96Å; F296-F311 AromaticContact CE2-CZ 3.84Å; F296-F311 HydrophobicContact CE2-CZ 3.84Å; F296-F311 HydrophobicContact CG-CE2 4.44Å; F296-F311 HydrophobicContact CG-CZ 4.29Å; Q307-F311 HydrophobicContact CB-CD2 4.3Å; Q307-F311 HydrophobicContact CB-CE2 4.49Å; Q307-F311 WeakPolarHBondContact O-CB 3.46Å; Q307-F311 VanDerWaalsContact O-CD2 3.29Å; Q307-F311 WeakPolarHBondContact O-CD2 3.39Å; Q307-F311 PolarHBondContact O-N 3.39Å; E308-F311 PolarHBondContact O-N 3.09Å; F311-R313 PolarHBondContact O-N 3.36Å; F311-H314 PolarHBondContact O-N 3.23Å; F311-H314 VanDerWaalsContact O-N 3.1Å; F311-F315 HydrophobicContact CB-CD2 4.3Å; F311-F315 AromaticContact CD1-CD2 3.86Å; F311-F315 HydrophobicContact CD1-CD2 3.86Å; F311-F315 AromaticContact CD1-CE2 3.58Å; F311-F315 HydrophobicContact CD1-CE2 3.58Å; F311-F315 HydrophobicContact CE1-CE2 4Å; F311-F315 HydrophobicContact CG-CD2 4.42Å; F311-F315 HydrophobicContact CG-CE2 4.39Å; F311-F315 WeakPolarHBondContact O-CB 3.4Å; F311-F315 WeakPolarHBondContact O-CD2 3.36Å; F311-F315 PolarHBondContact O-N 3.21Å; F311-V322 HydrophobicContact CB-CG1 4.24Å; F311-I344 HydrophobicContact CD1-CG2 4Å; F311-I346 HydrophobicContact CB-CD1 4.06Å; F311-I346 HydrophobicContact CD1-CD1 4.23Å; F311-I346 HydrophobicContact CD2-CD1 4.22Å; F311-I346 HydrophobicContact CG-CD1 3.92Å
312S94.9Very high91Very high20 Ų2050.9 Ų50.914%0.1426%0.258CS..Hα-helixtrans-50-57.9174.1-88.60000111.7E308 H314 F315 E316E308-S312 WeakPolarHBondContact O-CB 3.15Å; E308-S312 PolarHBondContact O-N 3.12Å; S312-H314 PolarHBondContact O-N 2.63Å; S312-H314 VanDerWaalsContact O-N 3.11Å; S312-F315 PolarHBondContact O-N 2.99Å; S312-F315 VanDerWaalsContact O-N 3.13Å; S312-E316 WeakPolarHBondContact CB-OE1 3.25Å; S312-E316 WeakPolarHBondContact O-CB 3.43Å; S312-E316 VanDerWaalsContact O-CG 3.25Å; S312-E316 WeakPolarHBondContact O-CG 3.49Å; S312-E316 PolarHBondContact O-N 3.19Å; S312-E316 PolarHBondContact OG-OE1 3.04Å
313R91.9Very high91.6Very high187 Ų18750.2 Ų50.271%0.70626%0.255SS*.Hα-helixtrans-58.9-28.5-179.7-171-179.5-61.8171.91.7113.7T309 F311T309-R313 WeakPolarHBondContact O-CB 3.36Å; T309-R313 PolarHBondContact O-N 3.35Å; F311-R313 PolarHBondContact O-N 3.36Å
314H92.8Very high91.9Very high20 Ų2050.5 Ų50.59%0.09326%0.259CS..Hα-helixtrans-83.2-36.7178.1-172.884.5000113.1L276 E280 V310 F311 S312 R317L276-H314 HydrophobicContact CD1-CB 4.18Å; L276-H314 HydrophobicContact CD2-CB 4.11Å; E280-H314 IonicContact OE2-CD2 2.76Å; E280-H314 IonicContact OE2-CE1 2.69Å; E280-H314 PolarHBondContact OE2-CE1 2.88Å; E280-H314 IonicContact OE2-NE2 2.73Å; E280-H314 PolarHBondContact OE2-NE2 3.39Å; V310-H314 WeakPolarHBondContact O-CB 3.46Å; V310-H314 PolarHBondContact O-N 3.14Å; F311-H314 PolarHBondContact O-N 3.23Å; F311-H314 VanDerWaalsContact O-N 3.1Å; S312-H314 PolarHBondContact O-N 2.63Å; S312-H314 VanDerWaalsContact O-N 3.11Å; H314-R317 PolarHBondContact CE1-NH2 3.48Å; H314-R317 VanDerWaalsContact CE1-NH2 3.27Å; H314-R317 PolarHBondContact ND1-NH2 3.47Å; H314-R317 WeakPolarHBondContact O-CG 3.38Å; H314-R317 PolarHBondContact O-NE 3.2Å
315F94.4Very high91.8Very high0 Ų050.1 Ų50.10%026%0.257CS..Hα-helixtrans-106.4-27.2-166.4-75.3-68.7000115.8L276 C279 E280 L283 F311 S312 R317 L318 G319 Y320 V322 I344L276-F315 HydrophobicContact CD2-CD2 4.26Å; L276-F315 HydrophobicContact CD2-CE2 3.54Å; L276-F315 HydrophobicContact CD2-CZ 4.33Å; C279-F315 HydrophobicContact CB-CE2 4.21Å; C279-F315 HydrophobicContact CB-CZ 3.7Å; C279-F315 WeakPolarHBondContact SG-CZ 3.23Å; E280-F315 HydrophobicContact CB-CE1 3.81Å; E280-F315 HydrophobicContact CB-CZ 4.13Å; E280-F315 HydrophobicContact CG-CE1 4.39Å; L283-F315 HydrophobicContact CD1-CD1 4.44Å; L283-F315 HydrophobicContact CD1-CE1 4.32Å; F311-F315 HydrophobicContact CB-CD2 4.3Å; F311-F315 AromaticContact CD1-CD2 3.86Å; F311-F315 HydrophobicContact CD1-CD2 3.86Å; F311-F315 AromaticContact CD1-CE2 3.58Å; F311-F315 HydrophobicContact CD1-CE2 3.58Å; F311-F315 HydrophobicContact CE1-CE2 4Å; F311-F315 HydrophobicContact CG-CD2 4.42Å; F311-F315 HydrophobicContact CG-CE2 4.39Å; F311-F315 WeakPolarHBondContact O-CB 3.4Å; F311-F315 WeakPolarHBondContact O-CD2 3.36Å; F311-F315 PolarHBondContact O-N 3.21Å; S312-F315 PolarHBondContact O-N 2.99Å; S312-F315 VanDerWaalsContact O-N 3.13Å; F315-R317 VanDerWaalsContact C-N 3.3Å; F315-R317 PolarHBondContact O-N 3.24Å; F315-L318 HydrophobicContact CD1-CD1 4Å; F315-L318 HydrophobicContact CE1-CD1 4.31Å; F315-L318 CarbonylContact O-C 3.57Å; F315-L318 WeakPolarHBondContact O-CA 2.98Å; F315-L318 WeakPolarHBondContact O-CB 3.42Å; F315-L318 PolarHBondContact O-N 3.49Å; F315-G319 PolarHBondContact O-N 3.39Å; F315-Y320 HydrophobicContact CD1-CD2 4Å; F315-Y320 PolarHBondContact O-N 3.06Å; F315-V322 HydrophobicContact CB-CG2 3.84Å; F315-I344 HydrophobicContact CB-CD1 3.76Å; F315-I344 HydrophobicContact CD1-CD1 3.81Å; F315-I344 HydrophobicContact CD2-CD1 3.32Å; F315-I344 HydrophobicContact CE1-CD1 4.25Å; F315-I344 HydrophobicContact CE2-CD1 3.8Å; F315-I344 HydrophobicContact CG-CD1 3.34Å; F315-I344 HydrophobicContact CZ-CD1 4.25Å
316E90.8Very high91.6Very high107 Ų10747.6 Ų47.650%0.525%0.246SC..G310 helixtrans-59.7-43.2175.8-71.4162.7179.300110.9S312 L318 G319S312-E316 WeakPolarHBondContact CB-OE1 3.25Å; S312-E316 WeakPolarHBondContact O-CB 3.43Å; S312-E316 VanDerWaalsContact O-CG 3.25Å; S312-E316 WeakPolarHBondContact O-CG 3.49Å; S312-E316 PolarHBondContact O-N 3.19Å; S312-E316 PolarHBondContact OG-OE1 3.04Å; E316-L318 PolarHBondContact O-N 3.44Å; E316-L318 VanDerWaalsContact O-N 3.11Å; E316-G319 PolarHBondContact O-N 3.16Å
317R88.7Confident90.7Very high172 Ų17245 Ų4565%0.64923%0.234SC*.G310 helixtrans-63.1-11.2172.364.8173.1-173.5168.3-2.7114.9H314 F315H314-R317 PolarHBondContact CE1-NH2 3.48Å; H314-R317 VanDerWaalsContact CE1-NH2 3.27Å; H314-R317 PolarHBondContact ND1-NH2 3.47Å; H314-R317 WeakPolarHBondContact O-CG 3.38Å; H314-R317 PolarHBondContact O-NE 3.2Å; F315-R317 VanDerWaalsContact C-N 3.3Å; F315-R317 PolarHBondContact O-N 3.24Å
318L89.1Confident89.1Confident61 Ų6145.4 Ų45.432%0.31924%0.239SC..G310 helixtrans-102.40.9174.2-61.5-180000112.1E280 F315 E316 Y320E280-L318 HydrophobicContact CG-CD1 4.07Å; F315-L318 HydrophobicContact CD1-CD1 4Å; F315-L318 HydrophobicContact CE1-CD1 4.31Å; F315-L318 CarbonylContact O-C 3.57Å; F315-L318 WeakPolarHBondContact O-CA 2.98Å; F315-L318 WeakPolarHBondContact O-CB 3.42Å; F315-L318 PolarHBondContact O-N 3.49Å; E316-L318 PolarHBondContact O-N 3.44Å; E316-L318 VanDerWaalsContact O-N 3.11Å; L318-Y320 HydrophobicContact CB-CD2 3.85Å; L318-Y320 HydrophobicContact CB-CE2 4.06Å
319G91.4Very high87.7Confident68 Ų6844.7 Ų44.770%0.70124%0.238SC*.THydrogen-bonded Turntrans86.410.4178.200000115.5F315 E316F315-G319 PolarHBondContact O-N 3.39Å; E316-G319 PolarHBondContact O-N 3.16Å
320Y94.7Very high86.2Confident47 Ų4742.5 Ų42.518%0.18422%0.224CC..  trans-95.5140.5176-60.9-74.3000111.1L283 F315 L318 D343L283-Y320 HydrophobicContact CB-CE1 3.82Å; L283-Y320 HydrophobicContact CB-CE2 4.24Å; L283-Y320 HydrophobicContact CD1-CD1 4.09Å; L283-Y320 HydrophobicContact CD1-CD2 4.23Å; L283-Y320 HydrophobicContact CD1-CE1 4.18Å; L283-Y320 HydrophobicContact CD1-CE2 4.32Å; L283-Y320 HydrophobicContact CD1-CG 4.1Å; L283-Y320 HydrophobicContact CD2-CD1 4.49Å; L283-Y320 HydrophobicContact CD2-CE1 4.32Å; L283-Y320 HydrophobicContact CG-CE1 4.34Å; L283-Y320 PolarHBondContact O-OH 3.29Å; F315-Y320 HydrophobicContact CD1-CD2 4Å; F315-Y320 PolarHBondContact O-N 3.06Å; L318-Y320 HydrophobicContact CB-CD2 3.85Å; L318-Y320 HydrophobicContact CB-CE2 4.06Å; Y320-D343 HydrophobicContact CD1-CB 4.19Å
321S94.9Very high84.3Confident36 Ų3643.5 Ų43.525%0.25223%0.226SC..  trans-82130.6174.951.20000111.4N341 Y342 D343 I344S321-N341 PolarHBondContact OG-O 2.96Å; S321-Y342 WeakPolarHBondContact OG-CA 3.11Å; S321-D343 PolarHBondContact N-OD2 3.19Å; S321-D343 PolarHBondContact O-N 2.84Å; S321-D343 PolarHBondContact OG-N 3.44Å; S321-D343 VanDerWaalsContact OG-N 3.07Å; S321-D343 PolarHBondContact OG-OD2 3.3Å; S321-I344 PolarHBondContact O-N 3.17Å
322V95.8Very high82.5Confident13 Ų1349.3 Ų49.38%0.07926%0.257CS..EExtended strand (participates in β ladder)trans-120137.3178.1-1700000109.8F311 F315 Y342 I344F311-V322 HydrophobicContact CB-CG1 4.24Å; F315-V322 HydrophobicContact CB-CG2 3.84Å; V322-Y342 VanDerWaalsContact C-CD1 3.41Å; V322-Y342 WeakPolarHBondContact O-CD1 3.39Å; V322-Y342 WeakPolarHBondContact O-CE1 3.03Å; V322-I344 WeakPolarHBondContact CA-O 3.45Å; V322-I344 HydrophobicContact CG1-CB 4.29Å; V322-I344 HydrophobicContact CG1-CG2 4.33Å; V322-I344 HydrophobicContact CG2-CB 4.19Å; V322-I344 HydrophobicContact CG2-CD1 4.19Å
323A94Very high81.2Confident14 Ų1451.3 Ų51.312%0.11627%0.268CS..EExtended strand (participates in β ladder)trans-143.5150.2169.200000110.6I338 Y342 I344 I345 I346A323-I338 HydrophobicContact CB-CG2 3.84Å; A323-Y342 HydrophobicContact CB-CD1 3.45Å; A323-Y342 VanDerWaalsContact CB-CD1 3.45Å; A323-Y342 HydrophobicContact CB-CD2 4Å; A323-Y342 HydrophobicContact CB-CE1 3.66Å; A323-Y342 HydrophobicContact CB-CE2 4.18Å; A323-Y342 HydrophobicContact CB-CG 3.63Å; A323-I344 PolarHBondContact N-O 3.48Å; A323-I344 VanDerWaalsContact N-O 3.08Å; A323-I345 CarbonylContact O-C 3.45Å; A323-I345 VanDerWaalsContact O-CA 3.28Å; A323-I345 WeakPolarHBondContact O-CA 3.46Å; A323-I346 PolarHBondContact O-N 3.3Å
324G90.7Very high80.7Confident8 Ų845.5 Ų45.58%0.08226%0.256CS..EExtended strand (participates in β ladder)trans-100.2153.5163.100000112.5Y304 E308 I346Y304-G324 WeakPolarHBondContact OH-CA 3.3Å; E308-G324 VanDerWaalsContact OE1-CA 3.23Å; E308-G324 WeakPolarHBondContact OE1-CA 3.46Å; E308-G324 PolarHBondContact OE1-N 3.44Å; G324-I346 CarbonylContact C-O 3.54Å; G324-I346 VanDerWaalsContact CA-O 3.26Å; G324-I346 WeakPolarHBondContact CA-O 3.35Å
325V87.9Confident80.4Confident0 Ų045.2 Ų45.20%026%0.256CS..EExtended strand (participates in β ladder)trans-128.8120.7156-153.40000109.1Y304 T329 T330 V335 I338 I345 I346 L347 T348 I351Y304-V325 WeakPolarHBondContact CE2-O 3.33Å; Y304-V325 PolarHBondContact OH-N 3.22Å; V325-T329 WeakPolarHBondContact CG1-OG1 3.3Å; V325-T330 HydrophobicContact CG1-CG2 4Å; V325-V335 HydrophobicContact CG1-CG2 4.42Å; V325-I338 HydrophobicContact CG2-CB 4.35Å; V325-I338 HydrophobicContact CG2-CD1 3.58Å; V325-I338 HydrophobicContact CG2-CG2 3.96Å; V325-I345 HydrophobicContact CG2-CG2 4.33Å; V325-I346 PolarHBondContact N-O 3.19Å; V325-L347 HydrophobicContact CB-CD2 3.54Å; V325-L347 HydrophobicContact CG2-CD2 3.6Å; V325-L347 WeakPolarHBondContact O-CA 3.39Å; V325-T348 PolarHBondContact O-N 2.88Å; V325-I351 HydrophobicContact CB-CD1 4.16Å; V325-I351 HydrophobicContact CG1-CD1 4.1Å; V325-I351 WeakPolarHBondContact O-CD1 3.41Å
326S82.6Confident80Confident4 Ų449.1 Ų49.13%0.02827%0.274CS..  trans-112.5175.3161.274.80000109.5A328 T329 T330S326-A328 PolarHBondContact O-N 2.81Å; S326-A328 PolarHBondContact OG-N 3.21Å; S326-T329 PolarHBondContact N-OG1 3.19Å; S326-T329 PolarHBondContact O-N 2.99Å; S326-T329 PolarHBondContact O-OG1 3.07Å; S326-T330 PolarHBondContact O-N 3.45Å
327G66.9Low79.9Confident2 Ų248.9 Ų48.92%0.02127%0.273CS..THydrogen-bonded Turntrans-60.1-14.5174.300000113.4P218 T329 T330P218-G327 WeakPolarHBondContact CD-O 3.36Å; G327-T329 PolarHBondContact O-N 3.48Å; G327-T330 WeakPolarHBondContact CA-OG1 3.47Å; G327-T330 PolarHBondContact O-OG1 2.82Å; G327-T330 VanDerWaalsContact O-OG1 3.09Å
328A58.4Low80Confident15 Ų1541.2 Ų41.212%0.12425%0.245CC..THydrogen-bonded Turntrans-74-12.2176.400000112.6P218 S326P218-A328 HydrophobicContact CB-CB 4.11Å; P218-A328 HydrophobicContact CG-CB 3.81Å; S326-A328 PolarHBondContact O-N 2.81Å; S326-A328 PolarHBondContact OG-N 3.21Å
329T63.7Low80.1Confident38 Ų3838.5 Ų38.523%0.23323%0.23CC..THydrogen-bonded Turntrans-126.3-10.3-167.746.30000113.2V325 S326 G327 N332 V333V325-T329 WeakPolarHBondContact CG1-OG1 3.3Å; S326-T329 PolarHBondContact N-OG1 3.19Å; S326-T329 PolarHBondContact O-N 2.99Å; S326-T329 PolarHBondContact O-OG1 3.07Å; G327-T329 PolarHBondContact O-N 3.48Å; T329-N332 PolarHBondContact O-N 3.4Å; T329-V333 PolarHBondContact O-N 3.16Å
330T58.2Low80Confident30 Ų3040.3 Ų40.318%0.18422%0.221CC..THydrogen-bonded Turntrans-63.3-40.7-178.430.30000113.6V325 S326 G327 V335 I351V325-T330 HydrophobicContact CG1-CG2 4Å; S326-T330 PolarHBondContact O-N 3.45Å; G327-T330 WeakPolarHBondContact CA-OG1 3.47Å; G327-T330 PolarHBondContact O-OG1 2.82Å; G327-T330 VanDerWaalsContact O-OG1 3.09Å; T330-V335 HydrophobicContact CG2-CG2 4.13Å; T330-I351 HydrophobicContact CG2-CB 4.42Å; T330-I351 HydrophobicContact CG2-CD1 3.9Å; T330-I351 HydrophobicContact CG2-CG1 3.82Å; T330-I351 HydrophobicContact CG2-CG2 3.75Å
331E53.4Low79.9Confident72 Ų7242.2 Ų42.234%0.33623%0.234SC..THydrogen-bonded Turntrans-68.4-35.1179.3-65.2169.9-142.200112.9I853 Y854 D855E331-I853 VanDerWaalsContact CD-CG2 3.44Å; E331-I853 VanDerWaalsContact OE1-CB 3.31Å; E331-I853 WeakPolarHBondContact OE1-CB 3.48Å; E331-I853 WeakPolarHBondContact OE1-CG2 3.29Å; E331-I853 WeakPolarHBondContact OE2-CG2 3.15Å; E331-Y854 WeakPolarHBondContact OE1-CA 3.21Å; E331-Y854 PolarHBondContact OE1-N 2.86Å; E331-D855 PolarHBondContact OE1-N 2.62Å; E331-D855 VanDerWaalsContact OE1-N 3.16Å
332N56.2Low79.9Confident122 Ų12244.6 Ų44.665%0.65224%0.238SC*.THydrogen-bonded Turntrans-91.1-11.5-172.3-71.8-70.1000113.6T329T329-N332 PolarHBondContact O-N 3.4Å
333V69.4Low79.9Confident62 Ų6244.4 Ų44.438%0.37624%0.236SC..SBendtrans-143.8134-176.4-155.30000112.4T329 V335 I338T329-V333 PolarHBondContact O-N 3.16Å; V333-V335 PolarHBondContact O-N 3.19Å; V333-V335 VanDerWaalsContact O-N 3.07Å; V333-I338 HydrophobicContact CB-CD1 3.88Å; V333-I338 HydrophobicContact CG1-CD1 3.62Å; V333-I338 HydrophobicContact CG1-CG1 3.78Å
334S81.6Confident80.1Confident65 Ų6543.7 Ų43.746%0.45523%0.231SC..  trans-62.4111.9173.5172.40000111.2Q336 H337 I338S334-Q336 PolarHBondContact O-N 3.3Å; S334-H337 WeakPolarHBondContact O-CB 3.2Å; S334-H337 PolarHBondContact O-N 3.48Å; S334-H337 PolarHBondContact OG-N 3.35Å; S334-I338 PolarHBondContact O-N 2.96Å
335V85Confident80.4Confident14 Ų1443.3 Ų43.39%0.08523%0.227CC..Hα-helixtrans-56-37.3175.7-179.90000111.4V325 T330 V333 I339 I351V325-V335 HydrophobicContact CG1-CG2 4.42Å; T330-V335 HydrophobicContact CG2-CG2 4.13Å; V333-V335 PolarHBondContact O-N 3.19Å; V333-V335 VanDerWaalsContact O-N 3.07Å; V335-I339 HydrophobicContact CG1-CD1 3.78Å; V335-I339 WeakPolarHBondContact O-CB 3.44Å; V335-I339 WeakPolarHBondContact O-CG1 3.49Å; V335-I339 PolarHBondContact O-N 3.41Å; V335-I351 HydrophobicContact CG1-CG2 4Å; V335-I351 HydrophobicContact CG2-CG2 3.93Å
336Q87.4Confident80.8Confident82 Ų8243.3 Ų43.338%0.38323%0.227SC..Hα-helixtrans-61.6-49.2173.3-179-177.8-9.300111.2S334 I338 I339 E340 T360 I361S334-Q336 PolarHBondContact O-N 3.3Å; Q336-I338 VanDerWaalsContact C-N 3.34Å; Q336-I338 PolarHBondContact O-N 3.31Å; Q336-I339 PolarHBondContact O-N 2.94Å; Q336-E340 HydrophobicContact CG-CG 4.36Å; Q336-E340 VanDerWaalsContact CG-OE1 3.29Å; Q336-E340 WeakPolarHBondContact CG-OE1 3.43Å; Q336-E340 PolarHBondContact NE2-OE1 3.37Å; Q336-E340 WeakPolarHBondContact O-CB 3.35Å; Q336-E340 WeakPolarHBondContact O-CG 3.49Å; Q336-E340 PolarHBondContact O-N 3.37Å; Q336-T360 HydrophobicContact CB-CG2 4.06Å; Q336-I361 HydrophobicContact CB-CD1 4.47Å
337H87.8Confident81.4Confident102 Ų10243.1 Ų43.147%0.47223%0.226SC..Hα-helixtrans-63-38.2-178.9-175.277.2000112.5S334 N341S334-H337 WeakPolarHBondContact O-CB 3.2Å; S334-H337 PolarHBondContact O-N 3.48Å; S334-H337 PolarHBondContact OG-N 3.35Å; H337-N341 PolarHBondContact CE1-ND2 2.92Å; H337-N341 VanDerWaalsContact CE1-ND2 3.28Å; H337-N341 PolarHBondContact ND1-ND2 3.47Å; H337-N341 WeakPolarHBondContact O-CB 3.47Å; H337-N341 PolarHBondContact O-N 3.07Å; H337-N341 VanDerWaalsContact O-N 3.08Å; H337-N341 PolarHBondContact O-ND2 3.23Å
338I90.4Very high82.6Confident11 Ų1143.9 Ų43.96%0.05623%0.23CC..Hα-helixtrans-63.4-51.9172.9-65177.5000110.1A323 V325 V333 S334 Q336 E340 N341 Y342 I345A323-I338 HydrophobicContact CB-CG2 3.84Å; V325-I338 HydrophobicContact CG2-CB 4.35Å; V325-I338 HydrophobicContact CG2-CD1 3.58Å; V325-I338 HydrophobicContact CG2-CG2 3.96Å; V333-I338 HydrophobicContact CB-CD1 3.88Å; V333-I338 HydrophobicContact CG1-CD1 3.62Å; V333-I338 HydrophobicContact CG1-CG1 3.78Å; S334-I338 PolarHBondContact O-N 2.96Å; Q336-I338 VanDerWaalsContact C-N 3.34Å; Q336-I338 PolarHBondContact O-N 3.31Å; I338-E340 VanDerWaalsContact C-N 3.25Å; I338-E340 PolarHBondContact O-N 2.68Å; I338-N341 PolarHBondContact O-N 3.13Å; I338-Y342 HydrophobicContact CB-CD2 4.45Å; I338-Y342 HydrophobicContact CG2-CD2 4Å; I338-Y342 HydrophobicContact CG2-CG 4.47Å; I338-Y342 WeakPolarHBondContact O-CB 3.3Å; I338-Y342 WeakPolarHBondContact O-CD2 3.47Å; I338-Y342 PolarHBondContact O-N 2.91Å; I338-I345 HydrophobicContact CG2-CG1 4.37Å; I338-I345 HydrophobicContact CG2-CG2 4.16Å
339I91.5Very high84.3Confident3 Ų343.5 Ų43.52%0.01523%0.226CC..Hα-helixtrans-62.2-33.4-178.8-71.7168.4000111.3K293 V335 Q336 I345 I361 V366 F367K293-I339 HydrophobicContact CD-CG2 4.39Å; K293-I339 WeakPolarHBondContact CD-O 3.4Å; K293-I339 WeakPolarHBondContact CE-O 3.47Å; K293-I339 PolarHBondContact NZ-O 2.92Å; V335-I339 HydrophobicContact CG1-CD1 3.78Å; V335-I339 WeakPolarHBondContact O-CB 3.44Å; V335-I339 WeakPolarHBondContact O-CG1 3.49Å; V335-I339 PolarHBondContact O-N 3.41Å; Q336-I339 PolarHBondContact O-N 2.94Å; I339-I345 HydrophobicContact CG1-CG1 4.36Å; I339-I361 HydrophobicContact CB-CD1 4.12Å; I339-I361 HydrophobicContact CD1-CD1 3.69Å; I339-I361 HydrophobicContact CD1-CG1 3.88Å; I339-I361 HydrophobicContact CG2-CD1 4.03Å; I339-V366 HydrophobicContact CG2-CB 4.38Å; I339-V366 HydrophobicContact CG2-CG2 3.89Å; I339-F367 HydrophobicContact CD1-CZ 3.87Å; I339-F367 HydrophobicContact CG1-CE1 4.32Å; I339-F367 HydrophobicContact CG1-CZ 4.12Å; I339-F367 HydrophobicContact CG2-CE1 3.91Å; I339-F367 HydrophobicContact CG2-CZ 3.98Å
340E89.6Confident85.5Confident107 Ų10744.5 Ų44.550%0.523%0.228SC..Hα-helixtrans-68.1-51.1174.8-75169.1176.700112.3K293 Q336 I338K293-E340 PolarHBondContact NZ-O 2.82Å; Q336-E340 HydrophobicContact CG-CG 4.36Å; Q336-E340 VanDerWaalsContact CG-OE1 3.29Å; Q336-E340 WeakPolarHBondContact CG-OE1 3.43Å; Q336-E340 PolarHBondContact NE2-OE1 3.37Å; Q336-E340 WeakPolarHBondContact O-CB 3.35Å; Q336-E340 WeakPolarHBondContact O-CG 3.49Å; Q336-E340 PolarHBondContact O-N 3.37Å; I338-E340 VanDerWaalsContact C-N 3.25Å; I338-E340 PolarHBondContact O-N 2.68Å
341N91.4Very high87Confident87 Ų8743.3 Ų43.347%0.46522%0.22SC..Hα-helixtrans-90.6-17.4-165.4-67.5-84.7000115.3S321 H337 I338S321-N341 PolarHBondContact OG-O 2.96Å; H337-N341 PolarHBondContact CE1-ND2 2.92Å; H337-N341 VanDerWaalsContact CE1-ND2 3.28Å; H337-N341 PolarHBondContact ND1-ND2 3.47Å; H337-N341 WeakPolarHBondContact O-CB 3.47Å; H337-N341 PolarHBondContact O-N 3.07Å; H337-N341 VanDerWaalsContact O-N 3.08Å; H337-N341 PolarHBondContact O-ND2 3.23Å; I338-N341 PolarHBondContact O-N 3.13Å
342Y95.1Very high88.9Confident86 Ų8639.9 Ų39.934%0.33720%0.204SC..  trans-99.1140.4-179.3-70.7-96.9000112.8K293 S321 V322 A323 I338 I345K293-Y342 PolarHBondContact NZ-O 3.3Å; S321-Y342 WeakPolarHBondContact OG-CA 3.11Å; V322-Y342 VanDerWaalsContact C-CD1 3.41Å; V322-Y342 WeakPolarHBondContact O-CD1 3.39Å; V322-Y342 WeakPolarHBondContact O-CE1 3.03Å; A323-Y342 HydrophobicContact CB-CD1 3.45Å; A323-Y342 VanDerWaalsContact CB-CD1 3.45Å; A323-Y342 HydrophobicContact CB-CD2 4Å; A323-Y342 HydrophobicContact CB-CE1 3.66Å; A323-Y342 HydrophobicContact CB-CE2 4.18Å; A323-Y342 HydrophobicContact CB-CG 3.63Å; I338-Y342 HydrophobicContact CB-CD2 4.45Å; I338-Y342 HydrophobicContact CG2-CD2 4Å; I338-Y342 HydrophobicContact CG2-CG 4.47Å; I338-Y342 WeakPolarHBondContact O-CB 3.3Å; I338-Y342 WeakPolarHBondContact O-CD2 3.47Å; I338-Y342 PolarHBondContact O-N 2.91Å; Y342-I345 WeakPolarHBondContact O-CD1 3.12Å
343D95.8Very high90.6Very high8 Ų834.2 Ų34.24%0.04317%0.174CC..SBendtrans-78-33.7179.3-65.3-43000111.6K291 K293 V294 Y320 S321K291-D343 WeakPolarHBondContact CD-OD1 3.35Å; K291-D343 VanDerWaalsContact NZ-CG 3.26Å; K291-D343 IonicContact NZ-OD1 3.72Å; K291-D343 PolarHBondContact NZ-OD1 2.88Å; K291-D343 IonicContact NZ-OD2 2.72Å; K291-D343 PolarHBondContact NZ-OD2 3.32Å; K293-D343 WeakPolarHBondContact CA-O 3.01Å; V294-D343 PolarHBondContact N-O 2.82Å; Y320-D343 HydrophobicContact CD1-CB 4.19Å; S321-D343 PolarHBondContact N-OD2 3.19Å; S321-D343 PolarHBondContact O-N 2.84Å; S321-D343 PolarHBondContact OG-N 3.44Å; S321-D343 VanDerWaalsContact OG-N 3.07Å; S321-D343 PolarHBondContact OG-OD2 3.3Å
344I98Very high91.4Very high0 Ų033.3 Ų33.30%017%0.168CC..EExtended strand (participates in β ladder)trans-127.3127.6177.3-53.2177.9000109.4L283 V294 F311 F315 S321 V322 A323 I346L283-I344 HydrophobicContact CD1-CD1 3.75Å; L283-I344 HydrophobicContact CD1-CG1 3.88Å; V294-I344 HydrophobicContact CB-CG1 4.42Å; V294-I344 WeakPolarHBondContact O-CA 3.45Å; F311-I344 HydrophobicContact CD1-CG2 4Å; F315-I344 HydrophobicContact CB-CD1 3.76Å; F315-I344 HydrophobicContact CD1-CD1 3.81Å; F315-I344 HydrophobicContact CD2-CD1 3.32Å; F315-I344 HydrophobicContact CE1-CD1 4.25Å; F315-I344 HydrophobicContact CE2-CD1 3.8Å; F315-I344 HydrophobicContact CG-CD1 3.34Å; F315-I344 HydrophobicContact CZ-CD1 4.25Å; S321-I344 PolarHBondContact O-N 3.17Å; V322-I344 WeakPolarHBondContact CA-O 3.45Å; V322-I344 HydrophobicContact CG1-CB 4.29Å; V322-I344 HydrophobicContact CG1-CG2 4.33Å; V322-I344 HydrophobicContact CG2-CB 4.19Å; V322-I344 HydrophobicContact CG2-CD1 4.19Å; A323-I344 PolarHBondContact N-O 3.48Å; A323-I344 VanDerWaalsContact N-O 3.08Å; I344-I346 HydrophobicContact CG2-CD1 4.19Å
345I97.4Very high91.8Very high0 Ų030.7 Ų30.70%015%0.149CC..EExtended strand (participates in β ladder)trans-120.8123.5178.1-5080.8000110K293 V294 V295 F296 A323 V325 I338 I339 Y342 L347 F367K293-I345 HydrophobicContact CD-CD1 3.99Å; K293-I345 HydrophobicContact CG-CD1 3.8Å; V294-I345 PolarHBondContact O-N 3.44Å; V295-I345 CarbonylContact C-O 3.5Å; V295-I345 VanDerWaalsContact CA-O 3.27Å; V295-I345 WeakPolarHBondContact CA-O 3.4Å; F296-I345 PolarHBondContact N-O 3.24Å; A323-I345 CarbonylContact O-C 3.45Å; A323-I345 VanDerWaalsContact O-CA 3.28Å; A323-I345 WeakPolarHBondContact O-CA 3.46Å; V325-I345 HydrophobicContact CG2-CG2 4.33Å; I338-I345 HydrophobicContact CG2-CG1 4.37Å; I338-I345 HydrophobicContact CG2-CG2 4.16Å; I339-I345 HydrophobicContact CG1-CG1 4.36Å; Y342-I345 WeakPolarHBondContact O-CD1 3.12Å; I345-L347 HydrophobicContact CG2-CD2 3.64Å; I345-L347 HydrophobicContact CG2-CG 3.82Å; I345-F367 HydrophobicContact CD1-CE1 4.25Å
346I97.3Very high92Very high0 Ų030.9 Ų30.90%015%0.149CC..EExtended strand (participates in β ladder)trans-92.5127.3169.5-44.7-55.6000107.9F296 Y304 Q307 E308 F311 A323 G324 V325 I344F296-I346 HydrophobicContact CB-CD1 3.71Å; F296-I346 HydrophobicContact CD1-CG2 4.47Å; F296-I346 HydrophobicContact CG-CD1 4.39Å; F296-I346 CarbonylContact O-C 3.56Å; F296-I346 WeakPolarHBondContact O-CA 3.39Å; Y304-I346 HydrophobicContact CD2-CB 4.5Å; Y304-I346 HydrophobicContact CD2-CG2 3.9Å; Y304-I346 HydrophobicContact CE2-CB 4.38Å; Y304-I346 HydrophobicContact CE2-CG2 4.27Å; Q307-I346 HydrophobicContact CB-CG2 4.28Å; E308-I346 HydrophobicContact CB-CG1 4.31Å; F311-I346 HydrophobicContact CB-CD1 4.06Å; F311-I346 HydrophobicContact CD1-CD1 4.23Å; F311-I346 HydrophobicContact CD2-CD1 4.22Å; F311-I346 HydrophobicContact CG-CD1 3.92Å; A323-I346 PolarHBondContact O-N 3.3Å; G324-I346 CarbonylContact C-O 3.54Å; G324-I346 VanDerWaalsContact CA-O 3.26Å; G324-I346 WeakPolarHBondContact CA-O 3.35Å; V325-I346 PolarHBondContact N-O 3.19Å; I344-I346 HydrophobicContact CG2-CD1 4.19Å
347L94.6Very high92Very high0 Ų031 Ų310%015%0.153CC..EExtended strand (participates in β ladder)trans-128.7146.8-176.7-68.6-174.9000112.5V295 F296 F297 A298 V325 I345 L352V295-L347 HydrophobicContact CG2-CB 4.28Å; V295-L347 HydrophobicContact CG2-CD1 3.7Å; V295-L347 HydrophobicContact CG2-CG 3.93Å; F296-L347 PolarHBondContact O-N 2.86Å; F297-L347 WeakPolarHBondContact CA-O 2.96Å; F297-L347 HydrophobicContact CD1-CB 4Å; F297-L347 HydrophobicContact CE1-CB 4.2Å; F297-L347 HydrophobicContact CE1-CD1 4.16Å; A298-L347 PolarHBondContact N-O 2.82Å; V325-L347 HydrophobicContact CB-CD2 3.54Å; V325-L347 HydrophobicContact CG2-CD2 3.6Å; V325-L347 WeakPolarHBondContact O-CA 3.39Å; I345-L347 HydrophobicContact CG2-CD2 3.64Å; I345-L347 HydrophobicContact CG2-CG 3.82Å; L347-L352 HydrophobicContact CD1-CB 4.13Å
348T91.9Very high91.8Very high18 Ų1831.3 Ų31.311%0.1116%0.158CC..  trans-77.7135.2149.368.30000108.7I301 Y304 V325 Q350 I351I301-T348 HydrophobicContact CD1-CG2 3.88Å; Y304-T348 HydrophobicContact CD2-CG2 4.34Å; Y304-T348 HydrophobicContact CG-CG2 4.45Å; V325-T348 PolarHBondContact O-N 2.88Å; T348-Q350 VanDerWaalsContact C-N 3.26Å; T348-Q350 PolarHBondContact O-N 3.36Å; T348-I351 PolarHBondContact O-N 3Å; T348-I351 WeakPolarHBondContact OG1-CD1 3.42Å
349P93.7Very high91.5Very high7 Ų733.1 Ų33.15%0.04518%0.179CC..Hα-helixtrans-67.9-23.8-165.728.3-39000114F297 A298 I351 L352 V353 P383 Y384 I387F297-P349 HydrophobicContact CD1-CB 4.12Å; A298-P349 WeakPolarHBondContact O-CD 3.29Å; P349-I351 PolarHBondContact O-N 3.04Å; P349-L352 PolarHBondContact O-N 2.98Å; P349-V353 PolarHBondContact O-N 2.91Å; P349-V353 VanDerWaalsContact O-N 3.17Å; P349-P383 HydrophobicContact CB-CB 3.86Å; P349-P383 HydrophobicContact CG-CB 3.89Å; P349-Y384 HydrophobicContact CB-CD1 3.62Å; P349-Y384 HydrophobicContact CB-CE1 3.71Å; P349-Y384 HydrophobicContact CG-CD1 3.82Å; P349-Y384 HydrophobicContact CG-CE1 3.61Å; P349-I387 HydrophobicContact CB-CD1 3.79Å
350Q89.4Confident91.2Very high58 Ų5835.7 Ų35.727%0.27120%0.195SC..Hα-helixtrans-64.3-29.4179.2-169.758.347.700112.5T348 V353 N354T348-Q350 VanDerWaalsContact C-N 3.26Å; T348-Q350 PolarHBondContact O-N 3.36Å; Q350-V353 PolarHBondContact O-N 2.82Å; Q350-N354 PolarHBondContact NE2-OD1 3.07Å; Q350-N354 WeakPolarHBondContact O-CB 3.22Å; Q350-N354 VanDerWaalsContact O-CG 3.25Å; Q350-N354 PolarHBondContact O-N 3.49Å; Q350-N354 PolarHBondContact O-OD1 2.75Å
351I89.6Confident91.2Very high5 Ų530.8 Ų30.83%0.02617%0.172CC..Hα-helixtrans-64.5-43.4177.9-60.2166.5000110.5V325 T330 V335 T348 P349 N354 S355V325-I351 HydrophobicContact CB-CD1 4.16Å; V325-I351 HydrophobicContact CG1-CD1 4.1Å; V325-I351 WeakPolarHBondContact O-CD1 3.41Å; T330-I351 HydrophobicContact CG2-CB 4.42Å; T330-I351 HydrophobicContact CG2-CD1 3.9Å; T330-I351 HydrophobicContact CG2-CG1 3.82Å; T330-I351 HydrophobicContact CG2-CG2 3.75Å; V335-I351 HydrophobicContact CG1-CG2 4Å; V335-I351 HydrophobicContact CG2-CG2 3.93Å; T348-I351 PolarHBondContact O-N 3Å; T348-I351 WeakPolarHBondContact OG1-CD1 3.42Å; P349-I351 PolarHBondContact O-N 3.04Å; I351-N354 PolarHBondContact O-N 2.77Å; I351-S355 WeakPolarHBondContact O-CB 3.26Å; I351-S355 PolarHBondContact O-N 2.87Å; I351-S355 PolarHBondContact O-OG 2.93Å
352L93Very high90.9Very high0 Ų032.2 Ų32.20%019%0.186CC..Hα-helixtrans-69.5-37.3177.4-174.458.9000111.2F297 L347 P349 S355 L356 I361 L364 F367 I387F297-L352 HydrophobicContact CE1-CB 4.3Å; F297-L352 HydrophobicContact CE1-CD2 3.59Å; F297-L352 HydrophobicContact CZ-CD2 3.46Å; F297-L352 VanDerWaalsContact CZ-CD2 3.46Å; L347-L352 HydrophobicContact CD1-CB 4.13Å; P349-L352 PolarHBondContact O-N 2.98Å; L352-S355 PolarHBondContact O-N 2.8Å; L352-L356 HydrophobicContact CD1-CD1 4.15Å; L352-L356 HydrophobicContact CD1-CG 4.08Å; L352-L356 HydrophobicContact CG-CD1 3.83Å; L352-L356 HydrophobicContact CG-CG 4.27Å; L352-L356 WeakPolarHBondContact O-CB 3.25Å; L352-L356 WeakPolarHBondContact O-CD1 3.08Å; L352-L356 WeakPolarHBondContact O-CG 2.95Å; L352-L356 PolarHBondContact O-N 2.75Å; L352-I361 HydrophobicContact CD1-CG2 4.33Å; L352-L364 HydrophobicContact CD2-CD2 3.81Å; L352-L364 HydrophobicContact CG-CD2 4.41Å; L352-F367 HydrophobicContact CD1-CE2 4.03Å; L352-F367 HydrophobicContact CD1-CZ 4.46Å; L352-F367 HydrophobicContact CD2-CE2 3.93Å; L352-I387 HydrophobicContact CB-CD1 4.32Å; L352-I387 HydrophobicContact CD2-CD1 4.17Å; L352-I387 HydrophobicContact CD2-CG1 4.29Å; L352-I387 HydrophobicContact CD2-CG2 4.31Å; L352-I387 HydrophobicContact CG-CG1 4.45Å
353V92.6Very high90.8Very high3 Ų329.3 Ų29.32%0.01818%0.179CC..Hα-helixtrans-58.6-48.2171.21730000111.1P349 Q350 L356 N357 P383 Q386 I387P349-V353 PolarHBondContact O-N 2.91Å; P349-V353 VanDerWaalsContact O-N 3.17Å; Q350-V353 PolarHBondContact O-N 2.82Å; V353-L356 PolarHBondContact O-N 3.41Å; V353-N357 WeakPolarHBondContact CG1-ND2 3.4Å; V353-N357 VanDerWaalsContact O-CB 3.28Å; V353-N357 WeakPolarHBondContact O-CB 3.29Å; V353-N357 PolarHBondContact O-N 3.47Å; V353-N357 PolarHBondContact O-ND2 2.87Å; V353-P383 HydrophobicContact CG2-CB 4.03Å; V353-Q386 HydrophobicContact CG1-CB 4.36Å; V353-Q386 HydrophobicContact CG2-CB 3.9Å; V353-I387 HydrophobicContact CG2-CD1 4.37Å; V353-I387 HydrophobicContact CG2-CG1 3.81Å
354N87Confident90.7Very high44 Ų4429.2 Ų29.224%0.23518%0.178CC..Hα-helixtrans-61.5-45.2177.4-69.72.6000111.1Q350 I351 N357 N358Q350-N354 PolarHBondContact NE2-OD1 3.07Å; Q350-N354 WeakPolarHBondContact O-CB 3.22Å; Q350-N354 VanDerWaalsContact O-CG 3.25Å; Q350-N354 PolarHBondContact O-N 3.49Å; Q350-N354 PolarHBondContact O-OD1 2.75Å; I351-N354 PolarHBondContact O-N 2.77Å; N354-N357 PolarHBondContact O-N 2.85Å; N354-N358 WeakPolarHBondContact O-CB 3.02Å; N354-N358 PolarHBondContact O-N 3.4Å
355S88.9Confident90.5Very high9 Ų930.6 Ų30.66%0.06319%0.188CC..Hα-helixtrans-65.7-38.7-178.9-57.30000113.2I351 L352 G359 T360 I361I351-S355 WeakPolarHBondContact O-CB 3.26Å; I351-S355 PolarHBondContact O-N 2.87Å; I351-S355 PolarHBondContact O-OG 2.93Å; L352-S355 PolarHBondContact O-N 2.8Å; S355-G359 CarbonylContact O-C 3.57Å; S355-G359 PolarHBondContact O-N 3.4Å; S355-G359 VanDerWaalsContact O-N 3.1Å; S355-T360 PolarHBondContact O-N 2.77Å; S355-I361 PolarHBondContact O-N 2.75Å; S355-I361 VanDerWaalsContact O-N 3.14Å
356L89.7Confident90.3Very high18 Ų1833.2 Ų33.29%0.09420%0.203CC..Hα-helixtrans-71.4-30.5173.8-70.5164.7000112.4L352 V353 I361 L364 R390L352-L356 HydrophobicContact CD1-CD1 4.15Å; L352-L356 HydrophobicContact CD1-CG 4.08Å; L352-L356 HydrophobicContact CG-CD1 3.83Å; L352-L356 HydrophobicContact CG-CG 4.27Å; L352-L356 WeakPolarHBondContact O-CB 3.25Å; L352-L356 WeakPolarHBondContact O-CD1 3.08Å; L352-L356 WeakPolarHBondContact O-CG 2.95Å; L352-L356 PolarHBondContact O-N 2.75Å; V353-L356 PolarHBondContact O-N 3.41Å; L356-I361 HydrophobicContact CD2-CG2 4.11Å; L356-L364 HydrophobicContact CD1-CD2 3.97Å; L356-L364 HydrophobicContact CD1-CG 4.39Å; L356-L364 HydrophobicContact CD2-CD2 4.36Å; L356-L364 HydrophobicContact CD2-CG 4.39Å; L356-R390 HydrophobicContact CD1-CG 4.29Å
357N87.1Confident90.3Very high85 Ų8533.3 Ų33.346%0.45520%0.204SC..Hα-helixtrans-81.4-31.6179.4-72.5-20000112.9V353 N354 R390V353-N357 WeakPolarHBondContact CG1-ND2 3.4Å; V353-N357 VanDerWaalsContact O-CB 3.28Å; V353-N357 WeakPolarHBondContact O-CB 3.29Å; V353-N357 PolarHBondContact O-N 3.47Å; V353-N357 PolarHBondContact O-ND2 2.87Å; N354-N357 PolarHBondContact O-N 2.85Å; N357-R390 PolarHBondContact OD1-NH2 2.85Å
358N83.7Confident90.5Very high109 Ų10935.1 Ų35.158%0.58322%0.215SC*.Hα-helixtrans-91.8-5.6176.8-69.4-17.7000113.4N354 T360N354-N358 WeakPolarHBondContact O-CB 3.02Å; N354-N358 PolarHBondContact O-N 3.4Å; N358-T360 VanDerWaalsContact C-N 3.34Å
359G83.3Confident90.8Very high49 Ų4934.2 Ų34.251%0.50521%0.21SC..THydrogen-bonded Turntrans84.8-1.5176.800000115.5S355 I361S355-G359 CarbonylContact O-C 3.57Å; S355-G359 PolarHBondContact O-N 3.4Å; S355-G359 VanDerWaalsContact O-N 3.1Å; G359-I361 PolarHBondContact O-N 3.35Å
360T86.8Confident91Very high56 Ų5633.9 Ų33.934%0.34421%0.207SC..SBendtrans-57.6-31175.3-48.30000112.8Q336 S355 N358Q336-T360 HydrophobicContact CB-CG2 4.06Å; S355-T360 PolarHBondContact O-N 2.77Å; N358-T360 VanDerWaalsContact C-N 3.34Å
361I89.6Confident91.5Very high5 Ų531.1 Ų31.13%0.02620%0.195CC..SBendtrans-121.1116167-63.7-64.7000107.1Q336 I339 L352 S355 L356 G359 S363 V366Q336-I361 HydrophobicContact CB-CD1 4.47Å; I339-I361 HydrophobicContact CB-CD1 4.12Å; I339-I361 HydrophobicContact CD1-CD1 3.69Å; I339-I361 HydrophobicContact CD1-CG1 3.88Å; I339-I361 HydrophobicContact CG2-CD1 4.03Å; L352-I361 HydrophobicContact CD1-CG2 4.33Å; S355-I361 PolarHBondContact O-N 2.75Å; S355-I361 VanDerWaalsContact O-N 3.14Å; L356-I361 HydrophobicContact CD2-CG2 4.11Å; G359-I361 PolarHBondContact O-N 3.35Å; I361-S363 WeakPolarHBondContact CG2-O 2.54Å; I361-V366 HydrophobicContact CG2-CG2 4.14Å
362P85.5Confident91.9Very high116 Ų11630.9 Ų30.975%0.75319%0.193SC*.  trans-80.8-29.1-171.129.8-35.1000113.8
363S90.9Very high92Very high26 Ų2631.7 Ų31.718%0.18220%0.198CC..  trans-148.8156.4179.1-177.30000111.3I361 S365I361-S363 WeakPolarHBondContact CG2-O 2.54Å; S363-S365 PolarHBondContact O-N 3.31Å; S363-S365 PolarHBondContact OG-N 2.9Å; S363-S365 PolarHBondContact OG-OG 3.21Å
364L95.2Very high92.1Very high6 Ų632.4 Ų32.43%0.03120%0.201CC..G310 helixtrans-72.1-13.2169.8-70.6173.6000113L352 L356 V366 F367 M370 I387 R390L352-L364 HydrophobicContact CD2-CD2 3.81Å; L352-L364 HydrophobicContact CG-CD2 4.41Å; L356-L364 HydrophobicContact CD1-CD2 3.97Å; L356-L364 HydrophobicContact CD1-CG 4.39Å; L356-L364 HydrophobicContact CD2-CD2 4.36Å; L356-L364 HydrophobicContact CD2-CG 4.39Å; L364-V366 PolarHBondContact O-N 3.35Å; L364-V366 VanDerWaalsContact O-N 3.09Å; L364-F367 HydrophobicContact CD2-CD2 4.3Å; L364-F367 HydrophobicContact CD2-CE2 4.41Å; L364-F367 PolarHBondContact O-N 2.86Å; L364-M370 HydrophobicContact CD1-CE 4.47Å; L364-M370 HydrophobicContact CD1-SD 4.5Å; L364-M370 HydrophobicContact CD2-SD 4.18Å; L364-I387 HydrophobicContact CD1-CG2 4.08Å; L364-I387 HydrophobicContact CD2-CG2 4.18Å; L364-R390 HydrophobicContact CD1-CB 4.25Å
365S93.3Very high92.6Very high29 Ų2930.3 Ų30.320%0.20319%0.189CC..G310 helixtrans-62.3-9.5175.9-52.30000114.6S363 F367 D401 P402S363-S365 PolarHBondContact O-N 3.31Å; S363-S365 PolarHBondContact OG-N 2.9Å; S363-S365 PolarHBondContact OG-OG 3.21Å; S365-F367 PolarHBondContact O-N 2.78Å; S365-D401 WeakPolarHBondContact OG-CB 3.26Å; S365-P402 WeakPolarHBondContact CA-O 3.45Å; S365-P402 WeakPolarHBondContact CB-O 3.42Å; S365-P402 PolarHBondContact OG-O 3.28Å
366V93.8Very high92.9Very high54 Ų5430.9 Ų30.933%0.32719%0.191SC..G310 helixtrans-65-25.5167.1-58.40000112K293 I339 I361 L364K293-V366 WeakPolarHBondContact CD-O 3.24Å; I339-V366 HydrophobicContact CG2-CB 4.38Å; I339-V366 HydrophobicContact CG2-CG2 3.89Å; I361-V366 HydrophobicContact CG2-CG2 4.14Å; L364-V366 PolarHBondContact O-N 3.35Å; L364-V366 VanDerWaalsContact O-N 3.09Å
367F97.1Very high93.1Very high3 Ų330.9 Ų30.91%0.01319%0.191CC..  trans-97.7153.2175.3-54.8-64.5000111.1K293 V295 I339 I345 L352 L364 S365 P404K293-F367 HydrophobicContact CD-CD1 4.26Å; K293-F367 HydrophobicContact CG-CD1 4.27Å; V295-F367 HydrophobicContact CB-CD1 3.78Å; V295-F367 HydrophobicContact CB-CE1 3.7Å; V295-F367 HydrophobicContact CB-CG 4.24Å; V295-F367 HydrophobicContact CB-CZ 4.08Å; V295-F367 HydrophobicContact CG1-CB 4.28Å; V295-F367 HydrophobicContact CG1-CD1 3.8Å; V295-F367 HydrophobicContact CG1-CD2 3.92Å; V295-F367 HydrophobicContact CG1-CE1 4.06Å; V295-F367 HydrophobicContact CG1-CE2 4.17Å; V295-F367 HydrophobicContact CG1-CG 3.72Å; V295-F367 HydrophobicContact CG1-CZ 4.22Å; V295-F367 HydrophobicContact CG2-CE1 4.33Å; V295-F367 HydrophobicContact CG2-CZ 4.32Å; I339-F367 HydrophobicContact CD1-CZ 3.87Å; I339-F367 HydrophobicContact CG1-CE1 4.32Å; I339-F367 HydrophobicContact CG1-CZ 4.12Å; I339-F367 HydrophobicContact CG2-CE1 3.91Å; I339-F367 HydrophobicContact CG2-CZ 3.98Å; I345-F367 HydrophobicContact CD1-CE1 4.25Å; L352-F367 HydrophobicContact CD1-CE2 4.03Å; L352-F367 HydrophobicContact CD1-CZ 4.46Å; L352-F367 HydrophobicContact CD2-CE2 3.93Å; L364-F367 HydrophobicContact CD2-CD2 4.3Å; L364-F367 HydrophobicContact CD2-CE2 4.41Å; L364-F367 PolarHBondContact O-N 2.86Å; S365-F367 PolarHBondContact O-N 2.78Å; F367-P404 HydrophobicContact CB-CB 4.16Å; F367-P404 HydrophobicContact CB-CG 4.43Å; F367-P404 WeakPolarHBondContact O-CB 3.38Å
368T97.5Very high93.6Very high37 Ų3727 Ų2723%0.22717%0.17CC..SBendtrans-113.5-16.8174.262.60000112.9H282 F286 K293 P404 Q405H282-T368 PolarHBondContact CE1-O 2.91Å; H282-T368 PolarHBondContact NE2-OG1 3Å; F286-T368 HydrophobicContact CE1-CG2 4.2Å; F286-T368 HydrophobicContact CZ-CG2 3.93Å; K293-T368 PolarHBondContact N-OG1 3.39Å; K293-T368 PolarHBondContact O-N 3.02Å; K293-T368 PolarHBondContact O-OG1 2.83Å; T368-P404 WeakPolarHBondContact O-CA 3.36Å; T368-Q405 PolarHBondContact O-N 2.9Å
369L98.6Very high93.9Very high0 Ų024 Ų240%016%0.158CC..EExtended strand (participates in β ladder)trans-148.6129.8176170.563.5000109.6I278 H282 K293 V294 V295 I371 Q405 I407I278-L369 HydrophobicContact CG2-CD2 4.31Å; H282-L369 HydrophobicContact CB-CD2 3.92Å; K293-L369 PolarHBondContact O-N 2.87Å; V294-L369 WeakPolarHBondContact CA-O 2.95Å; V294-L369 HydrophobicContact CG1-CB 4.28Å; V294-L369 HydrophobicContact CG1-CD2 3.9Å; V294-L369 HydrophobicContact CG1-CG 4.04Å; V294-L369 HydrophobicContact CG2-CB 4.22Å; V294-L369 HydrophobicContact CG2-CD2 4.16Å; V295-L369 PolarHBondContact N-O 3.18Å; L369-I371 HydrophobicContact CD1-CG1 4.23Å; L369-I371 HydrophobicContact CD2-CD1 4.14Å; L369-I371 HydrophobicContact CD2-CG1 4.28Å; L369-I371 HydrophobicContact CG-CD1 4.42Å; L369-I371 HydrophobicContact CG-CG1 4.01Å; L369-Q405 CarbonylContact C-O 3.6Å; L369-Q405 WeakPolarHBondContact CA-O 3.39Å; L369-Q405 HydrophobicContact CD1-CB 4.01Å; L369-Q405 HydrophobicContact CD1-CG 4.19Å; L369-I407 HydrophobicContact CD1-CB 4.48Å; L369-I407 HydrophobicContact CD1-CG1 3.65Å
370M98.7Very high94.1Very high0 Ų026.7 Ų26.70%016%0.156CC..EExtended strand (participates in β ladder)trans-113.8125.4172.2-62.6-160.2-61.800109.7V295 F297 L364 F372 I387 M388 Y391 P404 Q405 V406 I407V295-M370 HydrophobicContact CG1-CB 4.11Å; V295-M370 HydrophobicContact CG1-CG 3.65Å; V295-M370 HydrophobicContact CG1-SD 4.46Å; V295-M370 WeakPolarHBondContact O-CA 3.25Å; F297-M370 HydrophobicContact CE2-CB 4.11Å; F297-M370 HydrophobicContact CE2-CG 4.35Å; F297-M370 HydrophobicContact CE2-SD 4.13Å; F297-M370 HydrophobicContact CZ-SD 4.34Å; L364-M370 HydrophobicContact CD1-CE 4.47Å; L364-M370 HydrophobicContact CD1-SD 4.5Å; L364-M370 HydrophobicContact CD2-SD 4.18Å; M370-F372 HydrophobicContact CB-CD2 4.44Å; M370-F372 HydrophobicContact CB-CE2 3.77Å; M370-F372 HydrophobicContact CB-CZ 4.39Å; M370-F372 HydrophobicContact CE-CE2 4.02Å; M370-F372 HydrophobicContact CE-CZ 4.02Å; M370-F372 HydrophobicContact SD-CE2 4.5Å; M370-F372 HydrophobicContact SD-CZ 4.3Å; M370-I387 HydrophobicContact CE-CG2 4.45Å; M370-I387 HydrophobicContact SD-CG2 4.18Å; M370-M388 HydrophobicContact CE-SD 3.79Å; M370-Y391 HydrophobicContact CE-CD2 3.85Å; M370-Y391 HydrophobicContact CE-CE2 4.5Å; M370-P404 HydrophobicContact CE-CG 3.96Å; M370-P404 HydrophobicContact CG-CB 3.88Å; M370-P404 HydrophobicContact CG-CG 3.73Å; M370-P404 HydrophobicContact SD-CG 4Å; M370-Q405 PolarHBondContact N-O 2.91Å; M370-V406 HydrophobicContact CE-CG2 3.81Å; M370-I407 PolarHBondContact O-N 3.01Å
371I98.8Very high94.2Very high0 Ų029.3 Ų29.30%017%0.168CC..EExtended strand (participates in β ladder)trans-114.9119.9177.1-50.3-179.1000108.8V294 V295 F296 F297 L369 I407 L409V294-I371 HydrophobicContact CG1-CD1 4.23Å; V295-I371 PolarHBondContact O-N 3.04Å; F296-I371 CarbonylContact C-O 3.55Å; F296-I371 WeakPolarHBondContact CA-O 3.49Å; F296-I371 HydrophobicContact CD2-CB 3.78Å; F296-I371 HydrophobicContact CD2-CD1 4.24Å; F296-I371 HydrophobicContact CD2-CG2 3.64Å; F296-I371 HydrophobicContact CE2-CB 4.34Å; F296-I371 HydrophobicContact CE2-CG2 3.67Å; F296-I371 HydrophobicContact CG-CB 4.37Å; F297-I371 PolarHBondContact N-O 2.6Å; L369-I371 HydrophobicContact CD1-CG1 4.23Å; L369-I371 HydrophobicContact CD2-CD1 4.14Å; L369-I371 HydrophobicContact CD2-CG1 4.28Å; L369-I371 HydrophobicContact CG-CD1 4.42Å; L369-I371 HydrophobicContact CG-CG1 4.01Å; I371-I407 CarbonylContact C-O 3.46Å; I371-I407 WeakPolarHBondContact CA-O 3.34Å; I371-I407 HydrophobicContact CG1-CB 4.43Å; I371-I407 HydrophobicContact CG2-CG2 4.43Å; I371-L409 HydrophobicContact CG2-CD1 4.03Å; I371-L409 HydrophobicContact CG2-CG 4.12Å
372F98.4Very high94.3Very high0 Ų030 Ų300%017%0.171CC..EExtended strand (participates in β ladder)trans-105.7113.1179.9-65.8-93.3000110.4F297 M370 C375 Y384 I387 M388 V406 I407 L409 L435F297-F372 HydrophobicContact CB-CD1 4.35Å; F297-F372 AromaticContact CD2-CD1 3.47Å; F297-F372 HydrophobicContact CD2-CD1 3.47Å; F297-F372 VanDerWaalsContact CD2-CD1 3.47Å; F297-F372 HydrophobicContact CD2-CD2 4.3Å; F297-F372 AromaticContact CD2-CE1 3.42Å; F297-F372 HydrophobicContact CD2-CE1 3.42Å; F297-F372 VanDerWaalsContact CD2-CE1 3.42Å; F297-F372 HydrophobicContact CD2-CE2 4.24Å; F297-F372 AromaticContact CD2-CG 3.94Å; F297-F372 HydrophobicContact CD2-CG 3.94Å; F297-F372 AromaticContact CD2-CZ 3.83Å; F297-F372 HydrophobicContact CD2-CZ 3.83Å; F297-F372 HydrophobicContact CE2-CD1 4.12Å; F297-F372 AromaticContact CE2-CE1 3.59Å; F297-F372 HydrophobicContact CE2-CE1 3.59Å; F297-F372 HydrophobicContact CE2-CE2 4.12Å; F297-F372 AromaticContact CE2-CZ 3.59Å; F297-F372 HydrophobicContact CE2-CZ 3.59Å; F297-F372 HydrophobicContact CG-CD1 4.2Å; F297-F372 HydrophobicContact CG-CE1 4.28Å; M370-F372 HydrophobicContact CB-CD2 4.44Å; M370-F372 HydrophobicContact CB-CE2 3.77Å; M370-F372 HydrophobicContact CB-CZ 4.39Å; M370-F372 HydrophobicContact CE-CE2 4.02Å; M370-F372 HydrophobicContact CE-CZ 4.02Å; M370-F372 HydrophobicContact SD-CE2 4.5Å; M370-F372 HydrophobicContact SD-CZ 4.3Å; F372-C375 HydrophobicContact CB-CB 3.94Å; F372-C375 WeakPolarHBondContact O-CB 3.45Å; F372-Y384 HydrophobicContact CB-CD2 4.35Å; F372-Y384 HydrophobicContact CB-CE2 4.06Å; F372-Y384 AromaticContact CD1-CD1 3.61Å; F372-Y384 HydrophobicContact CD1-CD1 3.61Å; F372-Y384 AromaticContact CD1-CD2 3.81Å; F372-Y384 HydrophobicContact CD1-CD2 3.81Å; F372-Y384 AromaticContact CD1-CE1 3.91Å; F372-Y384 HydrophobicContact CD1-CE1 3.91Å; F372-Y384 HydrophobicContact CD1-CE2 4.09Å; F372-Y384 AromaticContact CD1-CG 3.55Å; F372-Y384 HydrophobicContact CD1-CG 3.55Å; F372-Y384 AromaticContact CE1-CD1 3.99Å; F372-Y384 HydrophobicContact CE1-CD1 3.99Å; F372-Y384 HydrophobicContact CE1-CG 4.02Å; F372-I387 HydrophobicContact CE1-CG2 4.48Å; F372-I387 HydrophobicContact CZ-CG2 4.17Å; F372-M388 HydrophobicContact CE2-SD 3.92Å; F372-M388 HydrophobicContact CZ-CG 4.16Å; F372-M388 HydrophobicContact CZ-SD 3.74Å; F372-V406 HydrophobicContact CD2-CG1 4Å; F372-V406 HydrophobicContact CE2-CG1 3.79Å; F372-I407 PolarHBondContact N-O 3.38Å; F372-L409 PolarHBondContact O-N 2.82Å; F372-L435 HydrophobicContact CD2-CD2 3.92Å; F372-L435 HydrophobicContact CE2-CD2 4.21Å; F372-L435 HydrophobicContact CG-CD2 4.18Å
373D96.2Very high94.8Very high17 Ų1725.1 Ų25.19%0.09114%0.139CC..THydrogen-bonded Turntrans-80.6144.6173.5-168.935.4000112.5F296 F297 C375 Y384F296-D373 HydrophobicContact CE1-CB 3.76Å; F296-D373 HydrophobicContact CZ-CB 3.77Å; F297-D373 WeakPolarHBondContact O-CB 3.29Å; F297-D373 PolarHBondContact O-N 2.88Å; F297-D373 VanDerWaalsContact O-N 3.13Å; D373-C375 VanDerWaalsContact C-N 3.25Å; D373-C375 PolarHBondContact O-N 3.34Å; D373-Y384 PolarHBondContact N-OH 3.43Å; D373-Y384 WeakPolarHBondContact O-CE2 3.21Å; D373-Y384 PolarHBondContact O-OH 3.18Å
374E94.4Very high95.1Very high17 Ų1723.9 Ų23.98%0.07913%0.131CC..THydrogen-bonded Turntrans41.753.5-166.9-66.8-61.4165.200112.3H376 N377 L409 T410 A411 Q727E374-H376 PolarHBondContact O-N 3.41Å; E374-H376 IonicContact OE2-CE1 3Å; E374-H376 PolarHBondContact OE2-CE1 2.91Å; E374-H376 IonicContact OE2-ND1 2.7Å; E374-H376 PolarHBondContact OE2-ND1 3.11Å; E374-N377 PolarHBondContact O-N 3.44Å; E374-N377 VanDerWaalsContact O-N 3.15Å; E374-N377 PolarHBondContact O-ND2 3.32Å; E374-L409 CarbonylContact C-O 3.27Å; E374-L409 WeakPolarHBondContact CA-O 3.42Å; E374-L409 PolarHBondContact N-O 2.85Å; E374-T410 PolarHBondContact OE2-OG1 2.89Å; E374-A411 PolarHBondContact OE2-N 2.95Å; E374-Q727 PolarHBondContact OE2-NE2 2.82Å; E374-Q727 VanDerWaalsContact OE2-NE2 3.12Å
375C96.9Very high95.2Very high0 Ų024.2 Ų24.20%013%0.133CC..G310 helixtrans-60.5-14.6-169.1760000115.2F372 D373 N377 T378 G408 L409 L435F372-C375 HydrophobicContact CB-CB 3.94Å; F372-C375 WeakPolarHBondContact O-CB 3.45Å; D373-C375 VanDerWaalsContact C-N 3.25Å; D373-C375 PolarHBondContact O-N 3.34Å; C375-N377 PolarHBondContact O-N 3.22Å; C375-N377 VanDerWaalsContact O-N 3.1Å; C375-T378 WeakPolarHBondContact O-CB 3.29Å; C375-T378 PolarHBondContact O-N 3.16Å; C375-T378 PolarHBondContact O-OG1 3.19Å; C375-G408 VanDerWaalsContact CB-CA 3.46Å; C375-G408 VanDerWaalsContact SG-CA 3.57Å; C375-L409 PolarHBondContact N-O 2.94Å; C375-L435 HydrophobicContact CB-CD1 3.9Å
376H95.1Very high95.3Very high22 Ų2225.7 Ų25.710%0.10214%0.136CC..G310 helixtrans-58.8-18.3173.167.2-101.9000112.6E374 T378 T410 S412 L431 I723 Q727E374-H376 PolarHBondContact O-N 3.41Å; E374-H376 IonicContact OE2-CE1 3Å; E374-H376 PolarHBondContact OE2-CE1 2.91Å; E374-H376 IonicContact OE2-ND1 2.7Å; E374-H376 PolarHBondContact OE2-ND1 3.11Å; H376-T378 PolarHBondContact O-N 2.93Å; H376-T410 PolarHBondContact ND1-OG1 2.88Å; H376-S412 WeakPolarHBondContact CB-O 3.02Å; H376-L431 HydrophobicContact CB-CD2 4.48Å; H376-I723 HydrophobicContact CB-CD1 4.26Å; H376-Q727 PolarHBondContact CE1-NE2 3Å
377N94.6Very high95.5Very high18 Ų1823.1 Ų23.110%0.09612%0.121CC..G310 helixtrans-67.6-10.1172.5-77-74.1000114.1Q211 E374 C375 S379 H382 Y384Q211-N377 PolarHBondContact NE2-OD1 2.86Å; E374-N377 PolarHBondContact O-N 3.44Å; E374-N377 VanDerWaalsContact O-N 3.15Å; E374-N377 PolarHBondContact O-ND2 3.32Å; C375-N377 PolarHBondContact O-N 3.22Å; C375-N377 VanDerWaalsContact O-N 3.1Å; N377-S379 PolarHBondContact O-N 2.9Å; N377-H382 WeakPolarHBondContact O-CB 3.11Å; N377-H382 PolarHBondContact O-ND1 3.37Å; N377-Y384 HydrophobicContact CB-CD2 4.23Å; N377-Y384 HydrophobicContact CB-CE2 4.42Å
378T96.4Very high95.5Very high2 Ų223 Ų231%0.01212%0.12CC..  trans-7273.2179-44.10000111.8C375 H376 Y384 N385 M388 A434 L435C375-T378 WeakPolarHBondContact O-CB 3.29Å; C375-T378 PolarHBondContact O-N 3.16Å; C375-T378 PolarHBondContact O-OG1 3.19Å; H376-T378 PolarHBondContact O-N 2.93Å; T378-Y384 WeakPolarHBondContact OG1-CB 3.38Å; T378-N385 HydrophobicContact CG2-CB 4.19Å; T378-M388 HydrophobicContact CG2-CB 4.42Å; T378-M388 HydrophobicContact CG2-CG 4.07Å; T378-A434 HydrophobicContact CG2-CB 4.14Å; T378-L435 HydrophobicContact CG2-CD2 4.01Å; T378-L435 HydrophobicContact CG2-CG 3.97Å
379S90.1Very high95.4Very high48 Ų4824 Ų2434%0.33612%0.121SC..SBendtrans-156.8173.2178.969.60000111.3N377 N381 H382N377-S379 PolarHBondContact O-N 2.9Å; S379-N381 PolarHBondContact O-N 3.43Å; S379-H382 VanDerWaalsContact O-CB 3.27Å; S379-H382 WeakPolarHBondContact O-CB 3.35Å; S379-H382 PolarHBondContact O-N 3.4Å
380K89.1Confident95.2Very high105 Ų10529.6 Ų29.646%0.45714%0.143SC..THydrogen-bonded Turntrans46.9-126.8-178.6-61.4-174.4177.1-174.20110.5S208 N385S208-K380 PolarHBondContact O-NZ 3.35Å; S208-K380 PolarHBondContact OG-NZ 3.2Å; K380-N385 PolarHBondContact O-ND2 2.97Å
381N87.2Confident95.1Very high110 Ų11030 Ų3059%0.58814%0.144SC*.THydrogen-bonded Turntrans-98.59.6179.8-61.6-24.8000113.4F213 S379 Q386F213-N381 HydrophobicContact CE1-CB 4.22Å; F213-N381 WeakPolarHBondContact CE1-O 3.48Å; F213-N381 HydrophobicContact CE2-CB 4.11Å; F213-N381 HydrophobicContact CZ-CB 3.64Å; F213-N381 WeakPolarHBondContact CZ-O 3.5Å; S379-N381 PolarHBondContact O-N 3.43Å; N381-Q386 PolarHBondContact O-NE2 3.32Å
382H93.3Very high95Very high20 Ų2030.8 Ų30.89%0.09315%0.148CC..  trans-56.3146.3-169.9-171.2-101.4000111.5N299 N377 S379 Y384 N385 Q386N299-H382 PolarHBondContact OD1-CE1 3Å; N299-H382 VanDerWaalsContact OD1-CE1 3.25Å; N377-H382 WeakPolarHBondContact O-CB 3.11Å; N377-H382 PolarHBondContact O-ND1 3.37Å; S379-H382 VanDerWaalsContact O-CB 3.27Å; S379-H382 WeakPolarHBondContact O-CB 3.35Å; S379-H382 PolarHBondContact O-N 3.4Å; H382-Y384 AromaticContact CE1-CD1 3.82Å; H382-Y384 AromaticContact CE1-CD2 3.75Å; H382-Y384 AromaticContact CE1-CG 3.59Å; H382-Y384 WeakPolarHBondContact ND1-CB 3.08Å; H382-Y384 AromaticContact ND1-CD1 3.97Å; H382-Y384 AromaticContact ND1-CD2 3.74Å; H382-Y384 AromaticContact ND1-CG 3.42Å; H382-Y384 PolarHBondContact ND1-N 3.45Å; H382-Y384 PolarHBondContact O-N 2.71Å; H382-Y384 VanDerWaalsContact O-N 3.12Å; H382-N385 WeakPolarHBondContact O-CA 3.48Å; H382-N385 WeakPolarHBondContact O-CB 3.43Å; H382-N385 PolarHBondContact O-N 3.05Å; H382-Q386 PolarHBondContact O-N 3.43Å
383P94.8Very high94.8Very high14 Ų1433 Ų339%0.09116%0.16CC..Hα-helixtrans-57.2-33.5-175.7-28.739.2000113.3P349 V353 N385 Q386 I387P349-P383 HydrophobicContact CB-CB 3.86Å; P349-P383 HydrophobicContact CG-CB 3.89Å; V353-P383 HydrophobicContact CG2-CB 4.03Å; P383-N385 VanDerWaalsContact C-N 3.33Å; P383-N385 PolarHBondContact O-N 2.89Å; P383-Q386 PolarHBondContact O-N 3.29Å; P383-I387 WeakPolarHBondContact O-CG1 3.49Å; P383-I387 PolarHBondContact O-N 2.74Å
384Y98Very high94.6Very high0 Ų033.6 Ų33.60%016%0.162CC..Hα-helixtrans-56.4-44.5169.1-65.4-5.4000112.7F297 N299 P349 F372 D373 N377 T378 H382 Q386 I387 M388F297-Y384 HydrophobicContact CB-CD1 4.45Å; F297-Y384 HydrophobicContact CB-CE1 3.6Å; F297-Y384 HydrophobicContact CG-CE1 4.37Å; F297-Y384 PolarHBondContact O-OH 2.69Å; N299-Y384 PolarHBondContact ND2-OH 2.89Å; N299-Y384 WeakPolarHBondContact OD1-CE1 3.36Å; N299-Y384 PolarHBondContact OD1-OH 2.97Å; P349-Y384 HydrophobicContact CB-CD1 3.62Å; P349-Y384 HydrophobicContact CB-CE1 3.71Å; P349-Y384 HydrophobicContact CG-CD1 3.82Å; P349-Y384 HydrophobicContact CG-CE1 3.61Å; F372-Y384 HydrophobicContact CB-CD2 4.35Å; F372-Y384 HydrophobicContact CB-CE2 4.06Å; F372-Y384 AromaticContact CD1-CD1 3.61Å; F372-Y384 HydrophobicContact CD1-CD1 3.61Å; F372-Y384 AromaticContact CD1-CD2 3.81Å; F372-Y384 HydrophobicContact CD1-CD2 3.81Å; F372-Y384 AromaticContact CD1-CE1 3.91Å; F372-Y384 HydrophobicContact CD1-CE1 3.91Å; F372-Y384 HydrophobicContact CD1-CE2 4.09Å; F372-Y384 AromaticContact CD1-CG 3.55Å; F372-Y384 HydrophobicContact CD1-CG 3.55Å; F372-Y384 AromaticContact CE1-CD1 3.99Å; F372-Y384 HydrophobicContact CE1-CD1 3.99Å; F372-Y384 HydrophobicContact CE1-CG 4.02Å; D373-Y384 PolarHBondContact N-OH 3.43Å; D373-Y384 WeakPolarHBondContact O-CE2 3.21Å; D373-Y384 PolarHBondContact O-OH 3.18Å; N377-Y384 HydrophobicContact CB-CD2 4.23Å; N377-Y384 HydrophobicContact CB-CE2 4.42Å; T378-Y384 WeakPolarHBondContact OG1-CB 3.38Å; H382-Y384 AromaticContact CE1-CD1 3.82Å; H382-Y384 AromaticContact CE1-CD2 3.75Å; H382-Y384 AromaticContact CE1-CG 3.59Å; H382-Y384 WeakPolarHBondContact ND1-CB 3.08Å; H382-Y384 AromaticContact ND1-CD1 3.97Å; H382-Y384 AromaticContact ND1-CD2 3.74Å; H382-Y384 AromaticContact ND1-CG 3.42Å; H382-Y384 PolarHBondContact ND1-N 3.45Å; H382-Y384 PolarHBondContact O-N 2.71Å; H382-Y384 VanDerWaalsContact O-N 3.12Å; Y384-Q386 VanDerWaalsContact C-N 3.32Å; Y384-I387 PolarHBondContact O-N 3.06Å; Y384-M388 WeakPolarHBondContact O-CB 3.36Å; Y384-M388 WeakPolarHBondContact O-CG 3.41Å; Y384-M388 PolarHBondContact O-N 3Å
385N97.1Very high94.5Very high13 Ų1336.3 Ų36.37%0.0717%0.174CC..Hα-helixtrans-70.3-31.8-180-151.336.4000111.1T378 K380 H382 P383 M388 F389T378-N385 HydrophobicContact CG2-CB 4.19Å; K380-N385 PolarHBondContact O-ND2 2.97Å; H382-N385 WeakPolarHBondContact O-CA 3.48Å; H382-N385 WeakPolarHBondContact O-CB 3.43Å; H382-N385 PolarHBondContact O-N 3.05Å; P383-N385 VanDerWaalsContact C-N 3.33Å; P383-N385 PolarHBondContact O-N 2.89Å; N385-M388 PolarHBondContact O-N 3.27Å; N385-F389 VanDerWaalsContact ND2-CZ 3.3Å; N385-F389 WeakPolarHBondContact ND2-CZ 3.18Å; N385-F389 WeakPolarHBondContact O-CB 3.44Å; N385-F389 WeakPolarHBondContact O-CD1 3.29Å; N385-F389 WeakPolarHBondContact O-CD2 3.42Å; N385-F389 WeakPolarHBondContact O-CG 3.01Å; N385-F389 PolarHBondContact O-N 3.43Å
386Q95.4Very high94.4Very high60 Ų6037.7 Ų37.728%0.2818%0.181SC..Hα-helixtrans-68.9-40.4172.6-63.6-175.153.500112.7V353 N381 H382 P383 Y384 F389 R390V353-Q386 HydrophobicContact CG1-CB 4.36Å; V353-Q386 HydrophobicContact CG2-CB 3.9Å; N381-Q386 PolarHBondContact O-NE2 3.32Å; H382-Q386 PolarHBondContact O-N 3.43Å; P383-Q386 PolarHBondContact O-N 3.29Å; Y384-Q386 VanDerWaalsContact C-N 3.32Å; Q386-F389 PolarHBondContact O-N 3.02Å; Q386-R390 PolarHBondContact O-N 3.25Å
387I97.5Very high93.9Very high0 Ų039.3 Ų39.30%020%0.203CC..Hα-helixtrans-60.6-49.8170.4-67.2161.4000109.6F297 P349 L352 V353 L364 M370 F372 P383 Y384 F389 R390 Y391F297-I387 HydrophobicContact CD1-CD1 4.32Å; F297-I387 HydrophobicContact CE1-CD1 3.89Å; F297-I387 HydrophobicContact CZ-CD1 4.02Å; P349-I387 HydrophobicContact CB-CD1 3.79Å; L352-I387 HydrophobicContact CB-CD1 4.32Å; L352-I387 HydrophobicContact CD2-CD1 4.17Å; L352-I387 HydrophobicContact CD2-CG1 4.29Å; L352-I387 HydrophobicContact CD2-CG2 4.31Å; L352-I387 HydrophobicContact CG-CG1 4.45Å; V353-I387 HydrophobicContact CG2-CD1 4.37Å; V353-I387 HydrophobicContact CG2-CG1 3.81Å; L364-I387 HydrophobicContact CD1-CG2 4.08Å; L364-I387 HydrophobicContact CD2-CG2 4.18Å; M370-I387 HydrophobicContact CE-CG2 4.45Å; M370-I387 HydrophobicContact SD-CG2 4.18Å; F372-I387 HydrophobicContact CE1-CG2 4.48Å; F372-I387 HydrophobicContact CZ-CG2 4.17Å; P383-I387 WeakPolarHBondContact O-CG1 3.49Å; P383-I387 PolarHBondContact O-N 2.74Å; Y384-I387 PolarHBondContact O-N 3.06Å; I387-F389 VanDerWaalsContact C-N 3.3Å; I387-F389 PolarHBondContact O-N 3.05Å; I387-R390 WeakPolarHBondContact O-CB 3.31Å; I387-R390 PolarHBondContact O-N 3.45Å; I387-R390 VanDerWaalsContact O-N 3.08Å; I387-Y391 PolarHBondContact O-N 3.28Å; I387-Y391 VanDerWaalsContact O-N 3.1Å
388M98.1Very high93Very high0 Ų047 Ų470%024%0.239CC..Hα-helixtrans-67.5-27.1-179.2-71.1-50.4-54.800113.6M370 F372 T378 Y384 N385 Y391 L392 V406 A434 L435 D436M370-M388 HydrophobicContact CE-SD 3.79Å; F372-M388 HydrophobicContact CE2-SD 3.92Å; F372-M388 HydrophobicContact CZ-CG 4.16Å; F372-M388 HydrophobicContact CZ-SD 3.74Å; T378-M388 HydrophobicContact CG2-CB 4.42Å; T378-M388 HydrophobicContact CG2-CG 4.07Å; Y384-M388 WeakPolarHBondContact O-CB 3.36Å; Y384-M388 WeakPolarHBondContact O-CG 3.41Å; Y384-M388 PolarHBondContact O-N 3Å; N385-M388 PolarHBondContact O-N 3.27Å; M388-Y391 HydrophobicContact CE-CD1 3.37Å; M388-Y391 HydrophobicContact CE-CD2 4.19Å; M388-Y391 HydrophobicContact CE-CE1 3.92Å; M388-Y391 HydrophobicContact CE-CG 3.56Å; M388-Y391 PolarHBondContact O-N 3.2Å; M388-Y391 HydrophobicContact SD-CG 4.37Å; M388-L392 WeakPolarHBondContact O-CB 3.4Å; M388-L392 VanDerWaalsContact O-CG 3.27Å; M388-L392 WeakPolarHBondContact O-CG 3.33Å; M388-L392 PolarHBondContact O-N 2.96Å; M388-V406 HydrophobicContact CE-CG2 4.16Å; M388-V406 HydrophobicContact SD-CG1 4.32Å; M388-V406 HydrophobicContact SD-CG2 4.33Å; M388-A434 WeakPolarHBondContact CB-O 3.24Å; M388-A434 WeakPolarHBondContact CE-O 3.37Å; M388-A434 WeakPolarHBondContact CG-O 3.28Å; M388-L435 HydrophobicContact CG-CD2 4.18Å; M388-L435 HydrophobicContact SD-CD2 4.48Å; M388-D436 HydrophobicContact CE-CB 4.35Å
389F95.4Very high92.3Very high58 Ų5849.2 Ų49.225%0.25426%0.255SS..Hα-helixtrans-59.6-45.7168.5-73.4-20.9000111.3N385 Q386 I387 Y391 L392 D393N385-F389 VanDerWaalsContact ND2-CZ 3.3Å; N385-F389 WeakPolarHBondContact ND2-CZ 3.18Å; N385-F389 WeakPolarHBondContact O-CB 3.44Å; N385-F389 WeakPolarHBondContact O-CD1 3.29Å; N385-F389 WeakPolarHBondContact O-CD2 3.42Å; N385-F389 WeakPolarHBondContact O-CG 3.01Å; N385-F389 PolarHBondContact O-N 3.43Å; Q386-F389 PolarHBondContact O-N 3.02Å; I387-F389 VanDerWaalsContact C-N 3.3Å; I387-F389 PolarHBondContact O-N 3.05Å; F389-Y391 PolarHBondContact O-N 3.45Å; F389-L392 PolarHBondContact O-N 3.03Å; F389-D393 WeakPolarHBondContact O-CB 3.4Å; F389-D393 PolarHBondContact O-N 3.34Å
390R94.4Very high91.8Very high118 Ų11853 Ų5345%0.44528%0.278SS..Hα-helixtrans-62.9-41.5175.7-61.2-63.3-164.6146.27.2112L356 N357 L364 Q386 I387 D393 H394L356-R390 HydrophobicContact CD1-CG 4.29Å; N357-R390 PolarHBondContact OD1-NH2 2.85Å; L364-R390 HydrophobicContact CD1-CB 4.25Å; Q386-R390 PolarHBondContact O-N 3.25Å; I387-R390 WeakPolarHBondContact O-CB 3.31Å; I387-R390 PolarHBondContact O-N 3.45Å; I387-R390 VanDerWaalsContact O-N 3.08Å; R390-D393 PolarHBondContact O-N 3.15Å; R390-H394 WeakPolarHBondContact O-CB 3.29Å; R390-H394 PolarHBondContact O-N 3.46Å; R390-H394 VanDerWaalsContact O-N 3.07Å
391Y96.8Very high91.7Very high8 Ų852 Ų523%0.03128%0.278CS..Hα-helixtrans-59.6-47.7173.6174.4-76.4000111.9N260 M370 I387 M388 F389 H394 K395 L403 P404 V406 D436N260-Y391 PolarHBondContact ND2-OH 3.44Å; N260-Y391 VanDerWaalsContact ND2-OH 3.15Å; M370-Y391 HydrophobicContact CE-CD2 3.85Å; M370-Y391 HydrophobicContact CE-CE2 4.5Å; I387-Y391 PolarHBondContact O-N 3.28Å; I387-Y391 VanDerWaalsContact O-N 3.1Å; M388-Y391 HydrophobicContact CE-CD1 3.37Å; M388-Y391 HydrophobicContact CE-CD2 4.19Å; M388-Y391 HydrophobicContact CE-CE1 3.92Å; M388-Y391 HydrophobicContact CE-CG 3.56Å; M388-Y391 PolarHBondContact O-N 3.2Å; M388-Y391 HydrophobicContact SD-CG 4.37Å; F389-Y391 PolarHBondContact O-N 3.45Å; Y391-H394 WeakPolarHBondContact O-CB 3.48Å; Y391-H394 PolarHBondContact O-N 3.03Å; Y391-K395 HydrophobicContact CE1-CD 4.31Å; Y391-K395 WeakPolarHBondContact O-CB 3.44Å; Y391-K395 PolarHBondContact O-N 2.86Å; Y391-L403 HydrophobicContact CD2-CB 4.45Å; Y391-L403 HydrophobicContact CD2-CD1 4.41Å; Y391-L403 HydrophobicContact CD2-CD2 3.85Å; Y391-L403 HydrophobicContact CD2-CG 4.47Å; Y391-L403 HydrophobicContact CE1-CD1 4.26Å; Y391-L403 HydrophobicContact CE2-CB 3.84Å; Y391-L403 HydrophobicContact CE2-CD1 4.09Å; Y391-L403 HydrophobicContact CE2-CD2 4.09Å; Y391-L403 HydrophobicContact CE2-CG 4.23Å; Y391-L403 HydrophobicContact CG-CD2 4.38Å; Y391-P404 HydrophobicContact CD2-CG 4.37Å; Y391-P404 HydrophobicContact CE2-CG 4.41Å; Y391-P404 WeakPolarHBondContact CE2-O 3.34Å; Y391-V406 HydrophobicContact CD2-CG2 4.19Å; Y391-V406 HydrophobicContact CE2-CG2 3.66Å; Y391-D436 HydrophobicContact CD1-CB 4.3Å; Y391-D436 HydrophobicContact CE1-CB 3.44Å; Y391-D436 VanDerWaalsContact CE1-CB 3.44Å; Y391-D436 WeakPolarHBondContact CE1-OD2 3.45Å; Y391-D436 PolarHBondContact OH-OD2 2.91Å
392L95.9Very high91.9Very high16 Ų1651.5 Ų51.58%0.08428%0.28CS..Hα-helixtrans-71.8-32.1-177.8-70.8174.2000112M388 F389 K395 L396 D436 Q785M388-L392 WeakPolarHBondContact O-CB 3.4Å; M388-L392 VanDerWaalsContact O-CG 3.27Å; M388-L392 WeakPolarHBondContact O-CG 3.33Å; M388-L392 PolarHBondContact O-N 2.96Å; F389-L392 PolarHBondContact O-N 3.03Å; L392-K395 HydrophobicContact CD2-CD 4.34Å; L392-K395 PolarHBondContact O-N 2.84Å; L392-L396 VanDerWaalsContact O-CB 3.27Å; L392-L396 WeakPolarHBondContact O-CB 3.34Å; L392-L396 WeakPolarHBondContact O-CG 3.37Å; L392-L396 PolarHBondContact O-N 3.17Å; L392-D436 HydrophobicContact CD2-CB 4.27Å; L392-Q785 HydrophobicContact CD1-CG 4.44Å; L392-Q785 HydrophobicContact CD2-CB 4.49Å; L392-Q785 HydrophobicContact CD2-CG 3.9Å
393D93.4Very high92Very high47 Ų4752.9 Ų52.925%0.25129%0.288SS..Hα-helixtrans-63.7-42.9170.7-80.8-49.9000112.3F389 R390 G397 K789 R792F389-D393 WeakPolarHBondContact O-CB 3.4Å; F389-D393 PolarHBondContact O-N 3.34Å; R390-D393 PolarHBondContact O-N 3.15Å; D393-G397 WeakPolarHBondContact O-CA 3.48Å; D393-G397 PolarHBondContact O-N 2.74Å; D393-K789 IonicContact OD1-NZ 3.19Å; D393-K789 PolarHBondContact OD1-NZ 3.38Å; D393-R792 IonicContact OD1-CZ 2.81Å; D393-R792 IonicContact OD1-NH1 2.9Å; D393-R792 IonicContact OD1-NH2 3.73Å; D393-R792 PolarHBondContact OD1-NH2 3.37Å; D393-R792 IonicContact OD2-CZ 2.62Å; D393-R792 IonicContact OD2-NH1 2.68Å; D393-R792 PolarHBondContact OD2-NH1 3.49Å; D393-R792 IonicContact OD2-NH2 2.68Å; D393-R792 PolarHBondContact OD2-NH2 3.34Å
394H92.1Very high92.1Very high30 Ų3052.3 Ų52.314%0.13928%0.284CS..Hα-helixtrans-62.1-48173.7-170.7-73.3000111.6R390 Y391 S399 D401 L403R390-H394 WeakPolarHBondContact O-CB 3.29Å; R390-H394 PolarHBondContact O-N 3.46Å; R390-H394 VanDerWaalsContact O-N 3.07Å; Y391-H394 WeakPolarHBondContact O-CB 3.48Å; Y391-H394 PolarHBondContact O-N 3.03Å; H394-S399 WeakPolarHBondContact CE1-CB 3.35Å; H394-S399 PolarHBondContact CE1-OG 3.09Å; H394-S399 VanDerWaalsContact CE1-OG 3.31Å; H394-S399 VanDerWaalsContact NE2-CB 3.29Å; H394-S399 WeakPolarHBondContact NE2-CB 3.4Å; H394-S399 PolarHBondContact NE2-OG 3.21Å; H394-S399 PolarHBondContact O-N 2.65Å; H394-D401 PolarHBondContact CE1-O 2.96Å; H394-D401 VanDerWaalsContact CE1-O 3.25Å; H394-D401 IonicContact NE2-OD2 2.59Å; H394-L403 HydrophobicContact CB-CD2 4.06Å
395K94.1Very high92.2Very high74 Ų7453.4 Ų53.432%0.32229%0.289SS..Hα-helixtrans-60.4-49.1179.5-172.2-169.8176.4-170.50112.5Y391 L392 L403 D436Y391-K395 HydrophobicContact CE1-CD 4.31Å; Y391-K395 WeakPolarHBondContact O-CB 3.44Å; Y391-K395 PolarHBondContact O-N 2.86Å; L392-K395 HydrophobicContact CD2-CD 4.34Å; L392-K395 PolarHBondContact O-N 2.84Å; K395-L403 HydrophobicContact CB-CD1 3.67Å; K395-L403 HydrophobicContact CG-CD1 4.2Å; K395-D436 WeakPolarHBondContact CD-OD2 3.33Å; K395-D436 VanDerWaalsContact NZ-CG 3.29Å; K395-D436 IonicContact NZ-OD1 2.69Å; K395-D436 PolarHBondContact NZ-OD1 3.15Å; K395-D436 IonicContact NZ-OD2 3.32Å; K395-D436 PolarHBondContact NZ-OD2 3.32Å
396L92.8Very high92.3Very high28 Ų2852.8 Ų52.815%0.14729%0.286CS..Hα-helixtrans-83.8-21.6-174.4-59.8177.4000112.5L392 Q398 Q785 M786 K789L392-L396 VanDerWaalsContact O-CB 3.27Å; L392-L396 WeakPolarHBondContact O-CB 3.34Å; L392-L396 WeakPolarHBondContact O-CG 3.37Å; L392-L396 PolarHBondContact O-N 3.17Å; L396-Q398 PolarHBondContact O-N 2.98Å; L396-Q785 HydrophobicContact CD1-CB 4.16Å; L396-M786 HydrophobicContact CB-SD 4.46Å; L396-M786 HydrophobicContact CD1-SD 3.98Å; L396-M786 HydrophobicContact CD2-SD 3.82Å; L396-M786 HydrophobicContact CG-SD 4.3Å; L396-K789 HydrophobicContact CB-CD 3.98Å; L396-K789 HydrophobicContact CD1-CB 4.11Å; L396-K789 HydrophobicContact CD1-CD 3.64Å; L396-K789 HydrophobicContact CD1-CG 4.49Å; L396-K789 HydrophobicContact CG-CD 4.47Å
397G85.5Confident92.4Very high56 Ų5649.9 Ų49.958%0.57727%0.273SS*.THydrogen-bonded Turntrans-78.1-0.1173.700000114.9D393 S399D393-G397 WeakPolarHBondContact O-CA 3.48Å; D393-G397 PolarHBondContact O-N 2.74Å; G397-S399 VanDerWaalsContact C-N 3.27Å; G397-S399 PolarHBondContact O-N 2.94Å
398Q76.2Confident92.5Very high180 Ų18049.9 Ų49.984%0.84127%0.273SS*.THydrogen-bonded Turntrans57.534.2179.1-55.1-175-1.200114.2L396L396-Q398 PolarHBondContact O-N 2.98Å
399S80.9Confident92.5Very high49 Ų4949.9 Ų49.934%0.34327%0.273SS..  trans-65.7140170.7178.50000110.7H394 G397 D401H394-S399 WeakPolarHBondContact CE1-CB 3.35Å; H394-S399 PolarHBondContact CE1-OG 3.09Å; H394-S399 VanDerWaalsContact CE1-OG 3.31Å; H394-S399 VanDerWaalsContact NE2-CB 3.29Å; H394-S399 WeakPolarHBondContact NE2-CB 3.4Å; H394-S399 PolarHBondContact NE2-OG 3.21Å; H394-S399 PolarHBondContact O-N 2.65Å; G397-S399 VanDerWaalsContact C-N 3.27Å; G397-S399 PolarHBondContact O-N 2.94Å; S399-D401 VanDerWaalsContact C-N 3.35Å; S399-D401 PolarHBondContact O-N 3.29Å
400P80.6Confident92.5Very high126 Ų12647.1 Ų47.182%0.81826%0.261SS*.SBendtrans-77.9-13.4-173.432.3-37.6000114.7
401D86.3Confident92.4Very high86 Ų8641.9 Ų41.946%0.4624%0.242SC..SBendtrans-69.3150.8-175.6-59.3-36.9000112S365 H394 S399S365-D401 WeakPolarHBondContact OG-CB 3.26Å; H394-D401 PolarHBondContact CE1-O 2.96Å; H394-D401 VanDerWaalsContact CE1-O 3.25Å; H394-D401 IonicContact NE2-OD2 2.59Å; S399-D401 VanDerWaalsContact C-N 3.35Å; S399-D401 PolarHBondContact O-N 3.29Å
402P91.6Very high92.3Very high98 Ų9841.5 Ų41.564%0.63624%0.241SC*.  trans-65147.317627.9-35.2000111.4S365S365-P402 WeakPolarHBondContact CA-O 3.45Å; S365-P402 WeakPolarHBondContact CB-O 3.42Å; S365-P402 PolarHBondContact OG-O 3.28Å
403L95.7Very high92.3Very high50 Ų5040.9 Ų40.926%0.26224%0.238SC..  trans-105.3143.9170.2-77.8173.9000110.8Y391 H394 K395Y391-L403 HydrophobicContact CD2-CB 4.45Å; Y391-L403 HydrophobicContact CD2-CD1 4.41Å; Y391-L403 HydrophobicContact CD2-CD2 3.85Å; Y391-L403 HydrophobicContact CD2-CG 4.47Å; Y391-L403 HydrophobicContact CE1-CD1 4.26Å; Y391-L403 HydrophobicContact CE2-CB 3.84Å; Y391-L403 HydrophobicContact CE2-CD1 4.09Å; Y391-L403 HydrophobicContact CE2-CD2 4.09Å; Y391-L403 HydrophobicContact CE2-CG 4.23Å; Y391-L403 HydrophobicContact CG-CD2 4.38Å; H394-L403 HydrophobicContact CB-CD2 4.06Å; K395-L403 HydrophobicContact CB-CD1 3.67Å; K395-L403 HydrophobicContact CG-CD1 4.2Å
404P97.4Very high92.3Very high2 Ų238.7 Ų38.71%0.01323%0.227CC..  trans-65.3149174.725.3-33.9000112.2F367 T368 M370 Y391F367-P404 HydrophobicContact CB-CB 4.16Å; F367-P404 HydrophobicContact CB-CG 4.43Å; F367-P404 WeakPolarHBondContact O-CB 3.38Å; T368-P404 WeakPolarHBondContact O-CA 3.36Å; M370-P404 HydrophobicContact CE-CG 3.96Å; M370-P404 HydrophobicContact CG-CB 3.88Å; M370-P404 HydrophobicContact CG-CG 3.73Å; M370-P404 HydrophobicContact SD-CG 4Å; Y391-P404 HydrophobicContact CD2-CG 4.37Å; Y391-P404 HydrophobicContact CE2-CG 4.41Å; Y391-P404 WeakPolarHBondContact CE2-O 3.34Å
405Q98.6Very high92.5Very high22 Ų2237.4 Ų37.410%0.10322%0.22CC..EExtended strand (participates in β ladder)trans-61.9141.8164.8-175.2-1796.400110.2A255 G258 K259 N260 T368 L369 M370 I407A255-Q405 PolarHBondContact O-NE2 3.29Å; G258-Q405 VanDerWaalsContact C-NE2 3.29Å; K259-Q405 PolarHBondContact O-NE2 3.07Å; N260-Q405 WeakPolarHBondContact OD1-CA 3.36Å; N260-Q405 WeakPolarHBondContact OD1-CG 3.14Å; T368-Q405 PolarHBondContact O-N 2.9Å; L369-Q405 CarbonylContact C-O 3.6Å; L369-Q405 WeakPolarHBondContact CA-O 3.39Å; L369-Q405 HydrophobicContact CD1-CB 4.01Å; L369-Q405 HydrophobicContact CD1-CG 4.19Å; M370-Q405 PolarHBondContact N-O 2.91Å; Q405-I407 HydrophobicContact CG-CD1 4.38Å
406V98.8Very high92.3Very high0 Ų035.3 Ų35.30%022%0.22CC..EExtended strand (participates in β ladder)trans-113.6120.1-178.9-179.20000111.6N260 T261 M370 F372 M388 Y391 L435N260-V406 CarbonylContact C-O 3.48Å; N260-V406 WeakPolarHBondContact CA-O 3.44Å; N260-V406 HydrophobicContact CB-CB 4.36Å; N260-V406 PolarHBondContact OD1-N 3.36Å; T261-V406 PolarHBondContact N-O 2.78Å; M370-V406 HydrophobicContact CE-CG2 3.81Å; F372-V406 HydrophobicContact CD2-CG1 4Å; F372-V406 HydrophobicContact CE2-CG1 3.79Å; M388-V406 HydrophobicContact CE-CG2 4.16Å; M388-V406 HydrophobicContact SD-CG1 4.32Å; M388-V406 HydrophobicContact SD-CG2 4.33Å; Y391-V406 HydrophobicContact CD2-CG2 4.19Å; Y391-V406 HydrophobicContact CE2-CG2 3.66Å; V406-L435 HydrophobicContact CG1-CB 4.4Å; V406-L435 HydrophobicContact CG1-CD2 4.05Å; V406-L435 WeakPolarHBondContact CG1-O 3.38Å
407I98.8Very high92.3Very high0 Ų041 Ų410%025%0.251CS..EExtended strand (participates in β ladder)trans-118.3127.6176.6-58.4-60.6000109.7A255 T261 I263 I278 L369 M370 I371 F372 Q405 L409A255-I407 HydrophobicContact CB-CD1 3.42Å; A255-I407 VanDerWaalsContact CB-CD1 3.42Å; A255-I407 HydrophobicContact CB-CG1 4.34Å; T261-I407 WeakPolarHBondContact O-CA 3.28Å; I263-I407 HydrophobicContact CD1-CG2 4.09Å; I263-I407 HydrophobicContact CG1-CG2 4.48Å; I278-I407 HydrophobicContact CD1-CG2 4.44Å; I278-I407 HydrophobicContact CG2-CG1 4.44Å; L369-I407 HydrophobicContact CD1-CB 4.48Å; L369-I407 HydrophobicContact CD1-CG1 3.65Å; M370-I407 PolarHBondContact O-N 3.01Å; I371-I407 CarbonylContact C-O 3.46Å; I371-I407 WeakPolarHBondContact CA-O 3.34Å; I371-I407 HydrophobicContact CG1-CB 4.43Å; I371-I407 HydrophobicContact CG2-CG2 4.43Å; F372-I407 PolarHBondContact N-O 3.38Å; Q405-I407 HydrophobicContact CG-CD1 4.38Å; I407-L409 HydrophobicContact CG2-CD2 4.14Å
408G98.4Very high92.7Very high0 Ų038.8 Ų38.80%023%0.227CC..EExtended strand (participates in β ladder)trans-109.4132.9172.300000111.5T261 I262 I263 C375T261-G408 PolarHBondContact O-N 2.92Å; I262-G408 CarbonylContact C-O 3.32Å; I262-G408 WeakPolarHBondContact CA-O 3.46Å; I263-G408 PolarHBondContact N-O 2.92Å; C375-G408 VanDerWaalsContact CB-CA 3.46Å; C375-G408 VanDerWaalsContact SG-CA 3.57Å
409L97.9Very high93.4Very high0 Ų038.1 Ų38.10%022%0.221CC..EExtended strand (participates in β ladder)trans-106.3133.6172.3-50.6179.6000109.2I263 K271 F296 I371 F372 E374 C375 I407I263-L409 HydrophobicContact CB-CD2 4.07Å; I263-L409 HydrophobicContact CD1-CD2 4.01Å; I263-L409 HydrophobicContact CG1-CD2 4.39Å; K271-L409 HydrophobicContact CD-CB 4.31Å; F296-L409 HydrophobicContact CE2-CD1 4.09Å; F296-L409 HydrophobicContact CZ-CD1 4.25Å; I371-L409 HydrophobicContact CG2-CD1 4.03Å; I371-L409 HydrophobicContact CG2-CG 4.12Å; F372-L409 PolarHBondContact O-N 2.82Å; E374-L409 CarbonylContact C-O 3.27Å; E374-L409 WeakPolarHBondContact CA-O 3.42Å; E374-L409 PolarHBondContact N-O 2.85Å; C375-L409 PolarHBondContact N-O 2.94Å; I407-L409 HydrophobicContact CG2-CD2 4.14Å
410T95.6Very high94.2Very high0 Ų038.7 Ų38.70%022%0.223CC..EExtended strand (participates in β ladder)trans-154.2155.8173.1-171.10000113.2I262 I263 C264 A265 K271 E374 H376 S412 V413I262-T410 HydrophobicContact CG2-CG2 4.22Å; I263-T410 PolarHBondContact O-N 3.45Å; C264-T410 HydrophobicContact CB-CG2 4.15Å; A265-T410 PolarHBondContact N-O 2.94Å; A265-T410 VanDerWaalsContact O-O 3.12Å; K271-T410 WeakPolarHBondContact CD-O 3.42Å; K271-T410 VanDerWaalsContact CE-C 3.47Å; K271-T410 WeakPolarHBondContact CE-O 3.34Å; K271-T410 PolarHBondContact NZ-O 2.83Å; E374-T410 PolarHBondContact OE2-OG1 2.89Å; H376-T410 PolarHBondContact ND1-OG1 2.88Å; T410-S412 PolarHBondContact OG1-N 3.24Å; T410-S412 VanDerWaalsContact OG1-N 3.1Å; T410-S412 PolarHBondContact OG1-O 3.3Å; T410-V413 HydrophobicContact CG2-CG1 3.96Å
411A92.6Very high95Very high7 Ų733.6 Ų33.66%0.05819%0.189CC..SBendtrans-81.7-22164.800000113.3A265 E374 I726 Q727A265-A411 WeakPolarHBondContact O-CA 3.45Å; E374-A411 PolarHBondContact OE2-N 2.95Å; A411-I726 HydrophobicContact CB-CG2 4.47Å; A411-Q727 HydrophobicContact CB-CG 3.86Å
412S94.8Very high95.4Very high0 Ų034.4 Ų34.40%019%0.194CC..  trans-158.2136.5179.7174.70000110H376 T410 G414 M762H376-S412 WeakPolarHBondContact CB-O 3.02Å; T410-S412 PolarHBondContact OG1-N 3.24Å; T410-S412 VanDerWaalsContact OG1-N 3.1Å; T410-S412 PolarHBondContact OG1-O 3.3Å; S412-G414 VanDerWaalsContact C-N 3.29Å; S412-G414 PolarHBondContact OG-N 2.99Å; S412-M762 PolarHBondContact OG-SD 3.05Å
413V95.6Very high95.7Very high3 Ų333.9 Ų33.92%0.01818%0.183CC..  trans-79.7-12.1172.9-68.90000113.1I262 C264 T410 I428 L431 M762 I766I262-V413 HydrophobicContact CG2-CG1 3.87Å; C264-V413 HydrophobicContact CB-CG1 4.26Å; T410-V413 HydrophobicContact CG2-CG1 3.96Å; V413-I428 HydrophobicContact CB-CG1 4.38Å; V413-I428 HydrophobicContact CG2-CD1 3.77Å; V413-I428 HydrophobicContact CG2-CG1 3.71Å; V413-I428 HydrophobicContact CG2-CG2 4.43Å; V413-L431 HydrophobicContact CB-CD2 3.97Å; V413-L431 HydrophobicContact CG1-CD2 4.18Å; V413-M762 HydrophobicContact CG2-CG 3.69Å; V413-M762 HydrophobicContact CG2-SD 3.79Å; V413-I766 HydrophobicContact CG2-CD1 3.88Å; V413-I766 HydrophobicContact CG2-CG1 4.23Å
414G94.6Very high95.8Very high2 Ų231.5 Ų31.52%0.02117%0.17CC..  trans69.9175.6-173.100000113.9S412S412-G414 VanDerWaalsContact C-N 3.29Å; S412-G414 PolarHBondContact OG-N 2.99Å
415V95.1Very high95.8Very high2 Ų232.1 Ų32.11%0.01217%0.173CC..  trans-139.69.1174.2-57.40000112.3D417 A418 A424 H427 K758 I761 M762V415-D417 PolarHBondContact O-N 2.69Å; V415-A418 HydrophobicContact CB-CB 4.1Å; V415-A418 HydrophobicContact CG2-CB 4.35Å; V415-A418 WeakPolarHBondContact O-CB 3.37Å; V415-A418 PolarHBondContact O-N 3.43Å; V415-A418 VanDerWaalsContact O-N 3.09Å; V415-A424 HydrophobicContact CB-CB 3.88Å; V415-A424 HydrophobicContact CG1-CB 3.68Å; V415-H427 VanDerWaalsContact C-CD2 3.41Å; V415-H427 VanDerWaalsContact C-CG 3.46Å; V415-H427 WeakPolarHBondContact CA-CD2 3.31Å; V415-K758 HydrophobicContact CG2-CB 3.76Å; V415-K758 HydrophobicContact CG2-CD 3.75Å; V415-K758 HydrophobicContact CG2-CG 3.69Å; V415-I761 HydrophobicContact CG1-CG1 4.47Å; V415-M762 HydrophobicContact CG1-CB 3.57Å; V415-M762 HydrophobicContact CG1-CG 3.94Å
416G91.5Very high95.7Very high31 Ų3134.9 Ų34.932%0.3219%0.188SC..THydrogen-bonded Turntrans50.9-129.1-170.900000112.3H427 K758G416-H427 PolarHBondContact N-CD2 3.42Å; G416-H427 PolarHBondContact N-CE1 2.78Å; G416-H427 VanDerWaalsContact N-CE1 3.29Å; G416-H427 PolarHBondContact N-NE2 3.44Å; G416-H427 VanDerWaalsContact N-NE2 3.2Å; G416-K758 PolarHBondContact O-NZ 3.33Å
417D91.1Very high95.6Very high147 Ų14738.1 Ų38.179%0.78620%0.203SC*.THydrogen-bonded Turntrans-92.610.2179.3-64.8-55.5000114.7V415V415-D417 PolarHBondContact O-N 2.69Å
418A93.9Very high95.6Very high9 Ų938.1 Ų38.17%0.07420%0.203CC..  trans-54.8139179.400000113.2V415 E423 A424 K758V415-A418 HydrophobicContact CB-CB 4.1Å; V415-A418 HydrophobicContact CG2-CB 4.35Å; V415-A418 WeakPolarHBondContact O-CB 3.37Å; V415-A418 PolarHBondContact O-N 3.43Å; V415-A418 VanDerWaalsContact O-N 3.09Å; A418-E423 WeakPolarHBondContact CA-OE2 3.31Å; A418-E423 HydrophobicContact CB-CB 3.56Å; A418-A424 HydrophobicContact CB-CB 4Å; A418-K758 VanDerWaalsContact O-CE 3.3Å; A418-K758 WeakPolarHBondContact O-CE 3.43Å
419K92.9Very high95.6Very high167 Ų16738.2 Ų38.273%0.72620%0.204SC*.  trans-112-24.3173.9-60.5173.6-174.9173.80111.3E423K419-E423 PolarHBondContact N-OE2 2.9Å
420T96.1Very high95.6Very high60 Ų6042.7 Ų42.737%0.36822%0.223SC..SBendtrans-111.7162.4178.966.80000112.1D422 E423 A424T420-D422 VanDerWaalsContact C-N 3.32Å; T420-E423 PolarHBondContact N-OE2 3.37Å; T420-E423 WeakPolarHBondContact OG1-CB 3.24Å; T420-E423 WeakPolarHBondContact OG1-CG 3.39Å; T420-E423 PolarHBondContact OG1-N 3.39Å; T420-E423 PolarHBondContact OG1-OE1 2.89Å; T420-A424 WeakPolarHBondContact O-CB 3.38Å; T420-A424 PolarHBondContact O-N 3.25Å; T420-A424 VanDerWaalsContact O-N 3.11Å
421V97.1Very high95.7Very high20 Ų2043.2 Ų43.212%0.12123%0.226CC..Hα-helixtrans-66-36.8176.4-174.80000110.5A424 M425 I761 E764 S765V421-A424 PolarHBondContact O-N 3.11Å; V421-M425 HydrophobicContact CG1-CG 4.36Å; V421-M425 HydrophobicContact CG1-SD 4.25Å; V421-M425 WeakPolarHBondContact O-CB 3.33Å; V421-M425 VanDerWaalsContact O-CG 3.31Å; V421-M425 WeakPolarHBondContact O-CG 3.31Å; V421-M425 PolarHBondContact O-N 3.39Å; V421-I761 HydrophobicContact CG2-CB 4.2Å; V421-I761 HydrophobicContact CG2-CG2 4.05Å; V421-E764 HydrophobicContact CG1-CB 4.49Å; V421-E764 HydrophobicContact CG1-CG 4.32Å; V421-S765 PolarHBondContact O-OG 2.78Å
422D96.1Very high96Very high103 Ų10342.9 Ų42.955%0.55122%0.223SC*.Hα-helixtrans-73.5-33.2-177.7-53.5-55.7000112.4T420 L426 R768T420-D422 VanDerWaalsContact C-N 3.32Å; D422-L426 WeakPolarHBondContact O-CB 3.45Å; D422-L426 PolarHBondContact O-N 2.84Å; D422-R768 IonicContact OD1-NH1 3.57Å
423E97.3Very high96.1Very high87 Ų8743 Ų4341%0.40723%0.225SC..Hα-helixtrans-63.5-42167-74.3157.6-145.700112A418 K419 T420 L426 H427A418-E423 WeakPolarHBondContact CA-OE2 3.31Å; A418-E423 HydrophobicContact CB-CB 3.56Å; K419-E423 PolarHBondContact N-OE2 2.9Å; T420-E423 PolarHBondContact N-OE2 3.37Å; T420-E423 WeakPolarHBondContact OG1-CB 3.24Å; T420-E423 WeakPolarHBondContact OG1-CG 3.39Å; T420-E423 PolarHBondContact OG1-N 3.39Å; T420-E423 PolarHBondContact OG1-OE1 2.89Å; E423-L426 PolarHBondContact O-N 3.18Å; E423-H427 PolarHBondContact O-N 3.38Å
424A97.4Very high96.2Very high0 Ų043.7 Ų43.70%023%0.23CC..Hα-helixtrans-67.3-41.5177.700000111.8V415 A418 T420 V421 L426 H427 I428 I761 S765V415-A424 HydrophobicContact CB-CB 3.88Å; V415-A424 HydrophobicContact CG1-CB 3.68Å; A418-A424 HydrophobicContact CB-CB 4Å; T420-A424 WeakPolarHBondContact O-CB 3.38Å; T420-A424 PolarHBondContact O-N 3.25Å; T420-A424 VanDerWaalsContact O-N 3.11Å; V421-A424 PolarHBondContact O-N 3.11Å; A424-L426 VanDerWaalsContact C-N 3.34Å; A424-L426 PolarHBondContact O-N 2.86Å; A424-H427 PolarHBondContact O-N 2.76Å; A424-I428 VanDerWaalsContact O-CG1 3.29Å; A424-I428 WeakPolarHBondContact O-CG1 3.4Å; A424-I428 PolarHBondContact O-N 2.92Å; A424-I761 HydrophobicContact CB-CD1 4.23Å; A424-I761 HydrophobicContact CB-CG1 4.25Å; A424-S765 VanDerWaalsContact CB-OG 3.26Å; A424-S765 WeakPolarHBondContact CB-OG 3.47Å
425M97.7Very high96.4Very high15 Ų1543.6 Ų43.67%0.07423%0.229CC..Hα-helixtrans-59.3-42.5170.3-72.1176.573.500111.4V421 I428 C429 S765 R768 L769 W772V421-M425 HydrophobicContact CG1-CG 4.36Å; V421-M425 HydrophobicContact CG1-SD 4.25Å; V421-M425 WeakPolarHBondContact O-CB 3.33Å; V421-M425 VanDerWaalsContact O-CG 3.31Å; V421-M425 WeakPolarHBondContact O-CG 3.31Å; V421-M425 PolarHBondContact O-N 3.39Å; M425-I428 PolarHBondContact O-N 3.21Å; M425-C429 WeakPolarHBondContact O-CB 3.46Å; M425-C429 PolarHBondContact O-N 3.34Å; M425-C429 PolarHBondContact O-SG 3.34Å; M425-S765 VanDerWaalsContact CG-CB 3.49Å; M425-S765 PolarHBondContact N-OG 3.4Å; M425-R768 HydrophobicContact CE-CB 3.67Å; M425-R768 HydrophobicContact SD-CB 3.76Å; M425-R768 VanDerWaalsContact SD-CD 3.55Å; M425-R768 HydrophobicContact SD-CG 4.34Å; M425-L769 HydrophobicContact CB-CD1 4.48Å; M425-L769 HydrophobicContact CB-CD2 4.45Å; M425-L769 HydrophobicContact CB-CG 4.49Å; M425-L769 HydrophobicContact CE-CD2 3.53Å; M425-L769 HydrophobicContact CE-CG 3.82Å; M425-L769 HydrophobicContact CG-CG 4.24Å; M425-W772 HydrophobicContact CE-CH2 4.47Å; M425-W772 HydrophobicContact CE-CZ2 3.5Å; M425-W772 VanDerWaalsContact CE-CZ2 3.5Å
426L96.7Very high96.5Very high80 Ų8044.4 Ų44.442%0.41923%0.233SC..Hα-helixtrans-64.3-40.1176-179.361.2000112.4D422 E423 A424 C429 K430D422-L426 WeakPolarHBondContact O-CB 3.45Å; D422-L426 PolarHBondContact O-N 2.84Å; E423-L426 PolarHBondContact O-N 3.18Å; A424-L426 VanDerWaalsContact C-N 3.34Å; A424-L426 PolarHBondContact O-N 2.86Å; L426-C429 PolarHBondContact O-N 3.02Å; L426-K430 PolarHBondContact O-N 2.97Å
427H97.1Very high96.8Very high68 Ų6843 Ų4332%0.31522%0.219SC..Hα-helixtrans-62.4-46.5174.8-177.185.8000111.7V415 G416 E423 A424 K430 L431V415-H427 VanDerWaalsContact C-CD2 3.41Å; V415-H427 VanDerWaalsContact C-CG 3.46Å; V415-H427 WeakPolarHBondContact CA-CD2 3.31Å; G416-H427 PolarHBondContact N-CD2 3.42Å; G416-H427 PolarHBondContact N-CE1 2.78Å; G416-H427 VanDerWaalsContact N-CE1 3.29Å; G416-H427 PolarHBondContact N-NE2 3.44Å; G416-H427 VanDerWaalsContact N-NE2 3.2Å; E423-H427 PolarHBondContact O-N 3.38Å; A424-H427 PolarHBondContact O-N 2.76Å; H427-K430 WeakPolarHBondContact O-CB 3.45Å; H427-K430 PolarHBondContact O-N 2.93Å; H427-K430 VanDerWaalsContact O-N 3.17Å; H427-L431 PolarHBondContact O-N 3.32Å
428I98Very high97Very high0 Ų037.1 Ų37.10%019%0.189CC..Hα-helixtrans-65.7-40.2178.6-66165.8000110.7V413 A424 M425 K430 L431 C432 I440 M762 I766 L769V413-I428 HydrophobicContact CB-CG1 4.38Å; V413-I428 HydrophobicContact CG2-CD1 3.77Å; V413-I428 HydrophobicContact CG2-CG1 3.71Å; V413-I428 HydrophobicContact CG2-CG2 4.43Å; A424-I428 VanDerWaalsContact O-CG1 3.29Å; A424-I428 WeakPolarHBondContact O-CG1 3.4Å; A424-I428 PolarHBondContact O-N 2.92Å; M425-I428 PolarHBondContact O-N 3.21Å; I428-K430 VanDerWaalsContact C-N 3.32Å; I428-K430 PolarHBondContact O-N 3.37Å; I428-L431 PolarHBondContact O-N 2.92Å; I428-C432 PolarHBondContact O-N 2.97Å; I428-C432 PolarHBondContact O-SG 3.2Å; I428-I440 HydrophobicContact CG2-CD1 3.53Å; I428-M762 HydrophobicContact CD1-CG 4.26Å; I428-I766 HydrophobicContact CD1-CG1 4.13Å; I428-L769 HydrophobicContact CB-CD1 4.03Å; I428-L769 HydrophobicContact CG2-CD1 3.67Å
429C97.9Very high97.2Very high2 Ų238.2 Ų38.21%0.01420%0.195CC..Hα-helixtrans-63-34.3172.6-74.80000113M425 L426 C432 A433 L769 I784M425-C429 WeakPolarHBondContact O-CB 3.46Å; M425-C429 PolarHBondContact O-N 3.34Å; M425-C429 PolarHBondContact O-SG 3.34Å; L426-C429 PolarHBondContact O-N 3.02Å; C429-C432 PolarHBondContact O-N 3.14Å; C429-A433 VanDerWaalsContact O-CB 3.26Å; C429-A433 WeakPolarHBondContact O-CB 3.49Å; C429-A433 PolarHBondContact O-N 3.03Å; C429-L769 VanDerWaalsContact SG-CD2 3.54Å; C429-I784 HydrophobicContact CB-CD1 3.84Å
430K97.8Very high97.5Very high93 Ų9330.7 Ų30.740%0.40416%0.163SC..Hα-helixtrans-65.2-42.9171.9-83.8171.6171-89.30112L426 H427 I428 A433 A434 I784 E788L426-K430 PolarHBondContact O-N 2.97Å; H427-K430 WeakPolarHBondContact O-CB 3.45Å; H427-K430 PolarHBondContact O-N 2.93Å; H427-K430 VanDerWaalsContact O-N 3.17Å; I428-K430 VanDerWaalsContact C-N 3.32Å; I428-K430 PolarHBondContact O-N 3.37Å; K430-A433 PolarHBondContact O-N 2.94Å; K430-A434 WeakPolarHBondContact O-CB 3.17Å; K430-A434 PolarHBondContact O-N 3.39Å; K430-I784 HydrophobicContact CG-CG2 4.05Å; K430-E788 IonicContact NZ-OE1 3.2Å; K430-E788 PolarHBondContact NZ-OE1 2.92Å
431L98.1Very high97.5Very high12 Ų1228.2 Ų28.26%0.06315%0.148CC..Hα-helixtrans-63.8-42.2174.217963.7000111.8I262 H376 V413 H427 I428 A433 A434 L435I262-L431 HydrophobicContact CD1-CD2 4.42Å; I262-L431 HydrophobicContact CD1-CG 4.21Å; H376-L431 HydrophobicContact CB-CD2 4.48Å; V413-L431 HydrophobicContact CB-CD2 3.97Å; V413-L431 HydrophobicContact CG1-CD2 4.18Å; H427-L431 PolarHBondContact O-N 3.32Å; I428-L431 PolarHBondContact O-N 2.92Å; L431-A433 VanDerWaalsContact C-N 3.33Å; L431-A433 PolarHBondContact O-N 2.77Å; L431-A434 PolarHBondContact O-N 2.88Å; L431-L435 HydrophobicContact CD1-CD1 4.01Å; L431-L435 HydrophobicContact CG-CD1 4.38Å; L431-L435 PolarHBondContact O-N 2.9Å; L431-L435 VanDerWaalsContact O-N 3.08Å
432C98.2Very high97.6Very high0 Ų028.6 Ų28.60%015%0.15CC..Hα-helixtrans-63.7-39.9175.4-62.50000111.5I428 C429 L435 D436 V437 F777 V781I428-C432 PolarHBondContact O-N 2.97Å; I428-C432 PolarHBondContact O-SG 3.2Å; C429-C432 PolarHBondContact O-N 3.14Å; C432-L435 CarbonylContact O-C 3.54Å; C432-L435 PolarHBondContact O-N 2.97Å; C432-D436 WeakPolarHBondContact O-CA 3.43Å; C432-D436 PolarHBondContact O-N 3.04Å; C432-V437 HydrophobicContact CB-CB 4.13Å; C432-V437 HydrophobicContact CB-CG1 4.39Å; C432-V437 PolarHBondContact O-N 3.42Å; C432-F777 HydrophobicContact CB-CZ 3.98Å; C432-V781 HydrophobicContact CB-CG2 4.16Å
433A98.2Very high97.6Very high3 Ų324.6 Ų24.63%0.02513%0.13CC..Hα-helixtrans-64.4-41.9175.900000112.6C429 K430 L431 L435 D436 V781 I784 Q785C429-A433 VanDerWaalsContact O-CB 3.26Å; C429-A433 WeakPolarHBondContact O-CB 3.49Å; C429-A433 PolarHBondContact O-N 3.03Å; K430-A433 PolarHBondContact O-N 2.94Å; L431-A433 VanDerWaalsContact C-N 3.33Å; L431-A433 PolarHBondContact O-N 2.77Å; A433-L435 VanDerWaalsContact C-N 3.35Å; A433-L435 PolarHBondContact O-N 3.36Å; A433-D436 PolarHBondContact O-N 3.41Å; A433-V781 HydrophobicContact CB-CG1 4.45Å; A433-I784 HydrophobicContact CB-CB 3.73Å; A433-I784 HydrophobicContact CB-CG2 3.52Å; A433-Q785 HydrophobicContact CB-CG 4.03Å; A433-Q785 WeakPolarHBondContact O-CG 3.46Å; A433-Q785 PolarHBondContact O-NE2 2.69Å
434A97.9Very high97.5Very high17 Ų1727.1 Ų27.114%0.1414%0.136CC..Hα-helixtrans-63.8-36.4176.200000112.9T378 M388 K430 L431T378-A434 HydrophobicContact CG2-CB 4.14Å; M388-A434 WeakPolarHBondContact CB-O 3.24Å; M388-A434 WeakPolarHBondContact CE-O 3.37Å; M388-A434 WeakPolarHBondContact CG-O 3.28Å; K430-A434 WeakPolarHBondContact O-CB 3.17Å; K430-A434 PolarHBondContact O-N 3.39Å; L431-A434 PolarHBondContact O-N 2.88Å
435L98.2Very high97.3Very high0 Ų033.3 Ų33.30%017%0.169CC..THydrogen-bonded Turntrans-91.14.2176.5-77.1164.4000114.4I262 F372 C375 T378 M388 V406 L431 C432 A433 V437I262-L435 HydrophobicContact CD1-CD1 3.91Å; I262-L435 HydrophobicContact CG1-CD1 4.08Å; F372-L435 HydrophobicContact CD2-CD2 3.92Å; F372-L435 HydrophobicContact CE2-CD2 4.21Å; F372-L435 HydrophobicContact CG-CD2 4.18Å; C375-L435 HydrophobicContact CB-CD1 3.9Å; T378-L435 HydrophobicContact CG2-CD2 4.01Å; T378-L435 HydrophobicContact CG2-CG 3.97Å; M388-L435 HydrophobicContact CG-CD2 4.18Å; M388-L435 HydrophobicContact SD-CD2 4.48Å; V406-L435 HydrophobicContact CG1-CB 4.4Å; V406-L435 HydrophobicContact CG1-CD2 4.05Å; V406-L435 WeakPolarHBondContact CG1-O 3.38Å; L431-L435 HydrophobicContact CD1-CD1 4.01Å; L431-L435 HydrophobicContact CG-CD1 4.38Å; L431-L435 PolarHBondContact O-N 2.9Å; L431-L435 VanDerWaalsContact O-N 3.08Å; C432-L435 CarbonylContact O-C 3.54Å; C432-L435 PolarHBondContact O-N 2.97Å; A433-L435 VanDerWaalsContact C-N 3.35Å; A433-L435 PolarHBondContact O-N 3.36Å; L435-V437 VanDerWaalsContact C-N 3.3Å; L435-V437 HydrophobicContact CB-CG2 3.58Å; L435-V437 PolarHBondContact O-N 2.99Å
436D97.9Very high97.3Very high18 Ų1834.5 Ų34.510%0.09618%0.176CC..THydrogen-bonded Turntrans51.241.4-173.2-163.733.6000115.7N260 M388 Y391 L392 K395 C432 A433 Q785N260-D436 WeakPolarHBondContact CB-O 3.44Å; N260-D436 PolarHBondContact ND2-O 3.4Å; M388-D436 HydrophobicContact CE-CB 4.35Å; Y391-D436 HydrophobicContact CD1-CB 4.3Å; Y391-D436 HydrophobicContact CE1-CB 3.44Å; Y391-D436 VanDerWaalsContact CE1-CB 3.44Å; Y391-D436 WeakPolarHBondContact CE1-OD2 3.45Å; Y391-D436 PolarHBondContact OH-OD2 2.91Å; L392-D436 HydrophobicContact CD2-CB 4.27Å; K395-D436 WeakPolarHBondContact CD-OD2 3.33Å; K395-D436 VanDerWaalsContact NZ-CG 3.29Å; K395-D436 IonicContact NZ-OD1 2.69Å; K395-D436 PolarHBondContact NZ-OD1 3.15Å; K395-D436 IonicContact NZ-OD2 3.32Å; K395-D436 PolarHBondContact NZ-OD2 3.32Å; C432-D436 WeakPolarHBondContact O-CA 3.43Å; C432-D436 PolarHBondContact O-N 3.04Å; A433-D436 PolarHBondContact O-N 3.41Å; D436-Q785 PolarHBondContact OD1-NE2 2.83Å
437V97.4Very high97.1Very high1 Ų133.3 Ų33.31%0.00617%0.171CC..  trans-92.1132.5-170.8165.60000111.7I262 C432 L435 V439 F777I262-V437 HydrophobicContact CB-CG1 4.27Å; I262-V437 HydrophobicContact CD1-CB 4.21Å; I262-V437 HydrophobicContact CD1-CG1 4.09Å; I262-V437 HydrophobicContact CD1-CG2 3.91Å; I262-V437 HydrophobicContact CG1-CB 4.34Å; I262-V437 HydrophobicContact CG1-CG1 4.04Å; I262-V437 HydrophobicContact CG1-CG2 3.71Å; C432-V437 HydrophobicContact CB-CB 4.13Å; C432-V437 HydrophobicContact CB-CG1 4.39Å; C432-V437 PolarHBondContact O-N 3.42Å; L435-V437 VanDerWaalsContact C-N 3.3Å; L435-V437 HydrophobicContact CB-CG2 3.58Å; L435-V437 PolarHBondContact O-N 2.99Å; V437-V439 WeakPolarHBondContact CG1-O 3.28Å; V437-F777 WeakPolarHBondContact O-CE1 3.41Å
438S95.7Very high96.9Very high25 Ų2537.6 Ų37.618%0.17519%0.191CC..SBendtrans-106.9-7.8175.261.40000114.1N260 E778N260-S438 PolarHBondContact O-N 2.97Å; S438-E778 WeakPolarHBondContact CB-OE1 3.44Å
439V97.5Very high96.7Very high32 Ų3239.8 Ų39.819%0.19420%0.202CC..EExtended strand (participates in β ladder)trans-139.8133.3175.7-178.20000112P254 K259 N260 T261 I262 V437P254-V439 HydrophobicContact CB-CB 4.29Å; P254-V439 HydrophobicContact CB-CG1 3.87Å; P254-V439 HydrophobicContact CB-CG2 4.48Å; P254-V439 HydrophobicContact CG-CG1 4.11Å; K259-V439 HydrophobicContact CB-CG2 4.34Å; K259-V439 HydrophobicContact CD-CG2 3.54Å; N260-V439 PolarHBondContact O-N 2.68Å; T261-V439 CarbonylContact C-O 3.57Å; T261-V439 VanDerWaalsContact CA-O 3.28Å; T261-V439 WeakPolarHBondContact CA-O 3.27Å; T261-V439 HydrophobicContact CG2-CB 4.38Å; T261-V439 HydrophobicContact CG2-CG1 4.45Å; I262-V439 PolarHBondContact N-O 3.05Å; V437-V439 WeakPolarHBondContact CG1-O 3.28Å
440I98.1Very high96.4Very high9 Ų940.7 Ų40.75%0.04621%0.206CC..EExtended strand (participates in β ladder)trans-98.4112.6162.8-52.1173.3000107.6I262 C264 I428 T442 I766 L769 Q770I262-I440 CarbonylContact O-C 3.33Å; I262-I440 WeakPolarHBondContact O-CA 3.42Å; C264-I440 HydrophobicContact CB-CG2 4.5Å; I428-I440 HydrophobicContact CG2-CD1 3.53Å; I440-T442 HydrophobicContact CG2-CG2 4.48Å; I440-I766 HydrophobicContact CB-CG2 4.48Å; I440-I766 HydrophobicContact CG2-CG2 3.87Å; I440-L769 HydrophobicContact CD1-CD1 4.25Å; I440-Q770 PolarHBondContact O-NE2 3.21Å
441A98.1Very high96Very high7 Ų742.4 Ų42.46%0.05822%0.216CC..EExtended strand (participates in β ladder)trans-90.4128.2175.700000110.8L251 P254 T261 I262 I263 C264L251-A441 HydrophobicContact CD2-CB 4.36Å; P254-A441 HydrophobicContact CG-CB 4.2Å; T261-A441 HydrophobicContact CG2-CB 3.73Å; I262-A441 PolarHBondContact O-N 3.45Å; I263-A441 HydrophobicContact CG1-CB 4.34Å; C264-A441 PolarHBondContact N-O 3.44Å
442T97.9Very high95.4Very high28 Ų2848.4 Ų48.417%0.17224%0.243CC..  trans-138.3158.3171.958.90000108C264 I440 I766 Q770C264-T442 HydrophobicContact CB-CG2 4.23Å; I440-T442 HydrophobicContact CG2-CG2 4.48Å; T442-I766 HydrophobicContact CG2-CG2 3.89Å; T442-Q770 PolarHBondContact OG1-NE2 3.02Å
443V96.8Very high94.8Very high20 Ų2050.6 Ų50.612%0.12126%0.257CS..  trans-72.2132.7170.8-176.80000109.2Y247 L251 N446 V447 L450Y247-V443 HydrophobicContact CD2-CG2 4.05Å; Y247-V443 HydrophobicContact CG-CG2 4.26Å; L251-V443 HydrophobicContact CD1-CG2 3.83Å; L251-V443 HydrophobicContact CD2-CG2 3.97Å; L251-V443 HydrophobicContact CG-CG2 3.86Å; V443-N446 VanDerWaalsContact CG1-C 3.44Å; V443-N446 HydrophobicContact CG1-CB 4.2Å; V443-V447 HydrophobicContact CG1-CG2 4.11Å; V443-L450 HydrophobicContact CB-CD2 3.97Å; V443-L450 HydrophobicContact CG1-CB 4.28Å; V443-L450 HydrophobicContact CG1-CD2 4.32Å; V443-L450 HydrophobicContact CG2-CD2 3.93Å
444R93.9Very high94Very high139 Ų13951.3 Ų51.353%0.52526%0.261SS..  trans-142.4-45.9-178.4-58.9-179.3-58.8-173.810.8111.2E250 V447 Q770E250-R444 WeakPolarHBondContact OE1-CA 3.4Å; E250-R444 PolarHBondContact OE1-N 2.98Å; R444-V447 WeakPolarHBondContact O-CG2 3.2Å; R444-Q770 VanDerWaalsContact CD-OE1 3.32Å
445D94.8Very high93.3Very high131 Ų13154.3 Ų54.370%0.70127%0.269SS*.THydrogen-bonded Turntrans-80.1-29.4-178.2-57.2-24.4000111E250E250-D445 PolarHBondContact OE1-N 3.3Å; E250-D445 PolarHBondContact OE2-N 2.8Å
446N96.1Very high92.5Very high40 Ų4060.9 Ų60.921%0.21430%0.297CS..THydrogen-bonded Turntrans-116.433.6-175-59.2-86.8000113.4N246 E250 V443 E448 E449 L450N246-N446 HydrophobicContact CB-CB 4.41Å; N246-N446 WeakPolarHBondContact CB-OD1 3.43Å; E250-N446 WeakPolarHBondContact OE2-CB 3.38Å; E250-N446 PolarHBondContact OE2-N 3.49Å; E250-N446 VanDerWaalsContact OE2-N 3.1Å; E250-N446 PolarHBondContact OE2-ND2 2.87Å; V443-N446 VanDerWaalsContact CG1-C 3.44Å; V443-N446 HydrophobicContact CG1-CB 4.2Å; N446-E448 VanDerWaalsContact C-N 3.32Å; N446-E448 PolarHBondContact O-N 3.46Å; N446-E449 HydrophobicContact CB-CB 4.46Å; N446-E449 PolarHBondContact O-N 2.81Å; N446-L450 PolarHBondContact O-N 3.37Å
447V93.7Very high91.9Very high54 Ų5460.4 Ų60.433%0.32730%0.295SS..Hα-helixtrans-60-40.7-177.2174.50000112V443 R444 E449 L450 E451V443-V447 HydrophobicContact CG1-CG2 4.11Å; R444-V447 WeakPolarHBondContact O-CG2 3.2Å; V447-E449 VanDerWaalsContact C-N 3.3Å; V447-E449 PolarHBondContact O-N 2.85Å; V447-L450 WeakPolarHBondContact O-CB 3.41Å; V447-L450 PolarHBondContact O-N 3.13Å; V447-L450 VanDerWaalsContact O-N 3.09Å; V447-E451 HydrophobicContact CG1-CG 4.16Å; V447-E451 PolarHBondContact O-N 2.68Å
448E93Very high91.1Very high158 Ų15867.1 Ų67.174%0.73833%0.327SS*.Hα-helixtrans-62.2-34178.7-61.4-178.4-177.200113N446 Q452N446-E448 VanDerWaalsContact C-N 3.32Å; N446-E448 PolarHBondContact O-N 3.46Å; E448-Q452 VanDerWaalsContact O-CG 3.27Å; E448-Q452 WeakPolarHBondContact O-CG 3.45Å; E448-Q452 PolarHBondContact O-N 2.9Å; E448-Q452 PolarHBondContact O-NE2 3.06Å
449E94.3Very high90.9Very high47 Ų4767.4 Ų67.422%0.2233%0.325CS..Hα-helixtrans-71.5-37.4174.3-171.2-165.4-148.300111R245 N246 Y247 N446 V447 V453R245-E449 WeakPolarHBondContact CB-OE1 3.5Å; N246-E449 WeakPolarHBondContact CA-OE2 3.49Å; N246-E449 WeakPolarHBondContact CB-OE2 3.32Å; N246-E449 PolarHBondContact N-OE1 2.99Å; N246-E449 PolarHBondContact N-OE2 3.29Å; Y247-E449 HydrophobicContact CD1-CB 4.23Å; Y247-E449 HydrophobicContact CD1-CG 3.97Å; Y247-E449 VanDerWaalsContact CD1-OE2 3.22Å; Y247-E449 WeakPolarHBondContact CD1-OE2 3.33Å; Y247-E449 HydrophobicContact CE1-CG 4.44Å; Y247-E449 PolarHBondContact N-OE2 3.07Å; N446-E449 HydrophobicContact CB-CB 4.46Å; N446-E449 PolarHBondContact O-N 2.81Å; V447-E449 VanDerWaalsContact C-N 3.3Å; V447-E449 PolarHBondContact O-N 2.85Å; E449-V453 WeakPolarHBondContact O-CG2 3.15Å
450L91.2Very high90.7Very high20 Ų2067.6 Ų67.611%0.10532%0.324CS..Hα-helixtrans-66.9-44.9176.9177.266000111.7Y247 P266 C269 V443 N446 V447 Q452 V453 V454Y247-L450 HydrophobicContact CD1-CB 4.04Å; Y247-L450 HydrophobicContact CD1-CD1 4.4Å; Y247-L450 HydrophobicContact CD2-CD1 4.19Å; Y247-L450 HydrophobicContact CE1-CB 4.4Å; Y247-L450 HydrophobicContact CE1-CD1 4.13Å; Y247-L450 HydrophobicContact CE2-CD1 3.94Å; Y247-L450 HydrophobicContact CG-CB 4.29Å; Y247-L450 HydrophobicContact CG-CD1 4.46Å; P266-L450 HydrophobicContact CG-CD2 4.33Å; C269-L450 HydrophobicContact CB-CD1 3.68Å; V443-L450 HydrophobicContact CB-CD2 3.97Å; V443-L450 HydrophobicContact CG1-CB 4.28Å; V443-L450 HydrophobicContact CG1-CD2 4.32Å; V443-L450 HydrophobicContact CG2-CD2 3.93Å; N446-L450 PolarHBondContact O-N 3.37Å; V447-L450 WeakPolarHBondContact O-CB 3.41Å; V447-L450 PolarHBondContact O-N 3.13Å; V447-L450 VanDerWaalsContact O-N 3.09Å; L450-Q452 VanDerWaalsContact C-N 3.27Å; L450-Q452 PolarHBondContact O-N 2.78Å; L450-V453 PolarHBondContact O-N 3.07Å; L450-V454 HydrophobicContact CD1-CB 4.34Å; L450-V454 HydrophobicContact CD1-CG2 3.93Å; L450-V454 PolarHBondContact O-N 3.45Å
451E88.6Confident90.6Very high130 Ų13070.5 Ų70.561%0.60734%0.337SS*.Hα-helixtrans-68.6-24.6-177.8-69.3-170.8156.200113V447 V453V447-E451 HydrophobicContact CG1-CG 4.16Å; V447-E451 PolarHBondContact O-N 2.68Å; E451-V453 VanDerWaalsContact C-N 3.29Å
452Q86.8Confident90.5Very high137 Ų13775.1 Ų75.164%0.6435%0.353SS*.THydrogen-bonded Turntrans-72.2-19.7169.7-72.1170.852.400113.6E448 L450E448-Q452 VanDerWaalsContact O-CG 3.27Å; E448-Q452 WeakPolarHBondContact O-CG 3.45Å; E448-Q452 PolarHBondContact O-N 2.9Å; E448-Q452 PolarHBondContact O-NE2 3.06Å; L450-Q452 VanDerWaalsContact C-N 3.27Å; L450-Q452 PolarHBondContact O-N 2.78Å
453V84Confident90.4Very high46 Ų4678.2 Ų78.228%0.27936%0.364SS..THydrogen-bonded Turntrans-107.9-31.3-175.1176.40000112.4Y247 E449 L450 E451Y247-V453 HydrophobicContact CE1-CB 4.43Å; Y247-V453 HydrophobicContact CE1-CG2 4.42Å; E449-V453 WeakPolarHBondContact O-CG2 3.15Å; L450-V453 PolarHBondContact O-N 3.07Å; E451-V453 VanDerWaalsContact C-N 3.29Å
454V82.8Confident90.3Very high18 Ų1877.5 Ų77.511%0.10936%0.36CS..SBendtrans-125.791.8-179.4-172.20000110P266 C269 L450 K456P266-V454 HydrophobicContact CB-CG1 3.97Å; C269-V454 HydrophobicContact CB-CG2 3.95Å; L450-V454 HydrophobicContact CD1-CB 4.34Å; L450-V454 HydrophobicContact CD1-CG2 3.93Å; L450-V454 PolarHBondContact O-N 3.45Å; V454-K456 PolarHBondContact O-N 3.13Å
455Y81.9Confident90.1Very high81 Ų8176.6 Ų76.632%0.31836%0.361SS..  trans-63.4133.6173.5-63.5-75.2000111P457 R735Y455-P457 WeakPolarHBondContact O-CD 3.29Å; Y455-R735 HydrophobicContact CD2-CB 4.06Å; Y455-R735 HydrophobicContact CE1-CB 4.47Å; Y455-R735 HydrophobicContact CE1-CG 4.17Å; Y455-R735 HydrophobicContact CE2-CB 3.62Å; Y455-R735 HydrophobicContact CE2-CG 4.15Å
456K82.6Confident89.8Confident137 Ų13772 Ų7260%0.59634%0.339SS*.  trans-96.1102.8172.7-175.3173.6-174.21650108.3V454 E759V454-K456 PolarHBondContact O-N 3.13Å; K456-E759 WeakPolarHBondContact CE-OE1 3.45Å; K456-E759 IonicContact NZ-OE1 2.62Å; K456-E759 PolarHBondContact NZ-OE1 2.92Å
457P83.6Confident89.3Confident8 Ų871.5 Ų71.55%0.05233%0.334CS..PPolyproline II helixtrans-67.3144.3-170.226.7-35.8000111.4Y455 K459 R729 G732 S737 C739Y455-P457 WeakPolarHBondContact O-CD 3.29Å; P457-K459 PolarHBondContact O-N 3.05Å; P457-R729 HydrophobicContact CG-CG 3.49Å; P457-R729 VanDerWaalsContact CG-CG 3.49Å; P457-R729 WeakPolarHBondContact CG-O 3.47Å; P457-G732 WeakPolarHBondContact CD-O 3.37Å; P457-G732 VanDerWaalsContact CG-O 3.28Å; P457-G732 WeakPolarHBondContact CG-O 3.35Å; P457-S737 VanDerWaalsContact CA-O 3.23Å; P457-S737 WeakPolarHBondContact CA-O 3.41Å; P457-S737 VanDerWaalsContact CB-C 3.48Å; P457-S737 WeakPolarHBondContact CB-O 3.44Å; P457-C739 HydrophobicContact CB-CB 4.33Å; P457-C739 HydrophobicContact CG-CB 4.24Å
458Q82Confident88.6Confident143 Ų14375.7 Ų75.767%0.66836%0.36SS*.EExtended strand (participates in β ladder)trans-64.3131.6175.5-173.2177.55.700109.6I460 S737 C739Q458-I460 HydrophobicContact CG-CG1 4.37Å; Q458-S737 PolarHBondContact N-O 3.35Å; Q458-C739 PolarHBondContact O-N 3.35Å
459K90.1Very high88Confident31 Ų3172.5 Ų72.514%0.13535%0.352CS..EExtended strand (participates in β ladder)trans-93.4121.6178.5-161.4150-171.2160.70110.6P457 C739 E752 M756P457-K459 PolarHBondContact O-N 3.05Å; K459-C739 CarbonylContact C-O 3.57Å; K459-C739 VanDerWaalsContact CA-O 3.31Å; K459-C739 WeakPolarHBondContact CA-O 3.2Å; K459-E752 WeakPolarHBondContact CE-OE1 3.45Å; K459-E752 IonicContact NZ-OE1 2.69Å; K459-E752 PolarHBondContact NZ-OE1 2.6Å; K459-M756 HydrophobicContact CD-SD 4.38Å
460I94.8Very high87.6Confident36 Ų3671.7 Ų71.719%0.18535%0.349CS..EExtended strand (participates in β ladder)trans-118.6122.1-172.1-57.3170.5000108.3Q458 R462 K738 C739 F740 L741Q458-I460 HydrophobicContact CG-CG1 4.37Å; I460-R462 HydrophobicContact CG2-CG 4.44Å; I460-K738 HydrophobicContact CD1-CB 4.49Å; I460-K738 HydrophobicContact CD1-CD 4.46Å; I460-K738 HydrophobicContact CD1-CG 4.43Å; I460-C739 PolarHBondContact N-O 2.84Å; I460-F740 HydrophobicContact CB-CD1 3.84Å; I460-F740 HydrophobicContact CB-CE1 3.99Å; I460-F740 HydrophobicContact CB-CG 4.39Å; I460-F740 HydrophobicContact CD1-CD1 4.41Å; I460-F740 HydrophobicContact CD1-CE1 3.84Å; I460-F740 HydrophobicContact CD1-CE2 4.14Å; I460-F740 HydrophobicContact CD1-CZ 3.7Å; I460-F740 HydrophobicContact CG2-CD1 3.77Å; I460-F740 HydrophobicContact CG2-CE1 3.68Å; I460-F740 CarbonylContact O-C 3.55Å; I460-F740 WeakPolarHBondContact O-CA 3.44Å; I460-L741 PolarHBondContact O-N 3.42Å
461F95.9Very high87.5Confident70 Ų7073.5 Ų73.531%0.30736%0.361SS..EExtended strand (participates in β ladder)trans-91.8122.8177-62.6-89.7000109.7L741 I749 E752 K753 M756F461-L741 HydrophobicContact CD1-CB 4.44Å; F461-L741 HydrophobicContact CD1-CD2 3.98Å; F461-L741 HydrophobicContact CE1-CD2 3.97Å; F461-I749 HydrophobicContact CD1-CB 4.48Å; F461-I749 HydrophobicContact CD1-CG1 4.36Å; F461-I749 HydrophobicContact CD1-CG2 3.82Å; F461-I749 HydrophobicContact CE1-CG2 4.15Å; F461-E752 HydrophobicContact CE1-CB 4.25Å; F461-E752 HydrophobicContact CE1-CG 4.37Å; F461-K753 HydrophobicContact CZ-CG 4.23Å; F461-M756 HydrophobicContact CE2-SD 4.25Å; F461-M756 HydrophobicContact CZ-SD 3.83Å
462R95.9Very high87.7Confident103 Ų10367.3 Ų67.339%0.38933%0.332SS..EExtended strand (participates in β ladder)trans-115.887.8172.6-65.9-66.8-161.3-175.57.3108.3I460 V464 I618 F740 L741 L742 T743I460-R462 HydrophobicContact CG2-CG 4.44Å; R462-V464 PolarHBondContact O-N 3.01Å; R462-I618 HydrophobicContact CG-CD1 4.11Å; R462-F740 HydrophobicContact CG-CD1 3.81Å; R462-F740 HydrophobicContact CG-CE1 4.28Å; R462-L741 PolarHBondContact N-O 2.67Å; R462-L742 HydrophobicContact CB-CB 4.37Å; R462-L742 HydrophobicContact CB-CD1 4.47Å; R462-L742 HydrophobicContact CB-CG 4.39Å; R462-L742 WeakPolarHBondContact O-CA 3.5Å; R462-T743 PolarHBondContact O-N 2.92Å; R462-T743 VanDerWaalsContact O-N 3.14Å
463K95.9Very high88.1Confident93 Ų9364.4 Ų64.440%0.40432%0.317SS..EExtended strand (participates in β ladder)trans-67.7121.4163.7167.157.1-178.6143.60107.2E465 T743 S744 I749K463-E465 WeakPolarHBondContact CE-OE1 3.34Å; K463-E465 VanDerWaalsContact NZ-CD 3.27Å; K463-E465 IonicContact NZ-OE1 3.2Å; K463-E465 PolarHBondContact NZ-OE1 3.35Å; K463-E465 IonicContact NZ-OE2 2.68Å; K463-E465 PolarHBondContact NZ-OE2 3.06Å; K463-T743 WeakPolarHBondContact CA-O 3.37Å; K463-S744 PolarHBondContact NZ-O 3.08Å; K463-I749 HydrophobicContact CB-CD1 3.78Å
464V94.4Very high88.5Confident6 Ų665.5 Ų65.54%0.03633%0.327CS..  trans-117.1168.6175-59.60000109.3R462 K611 D614 L742 T743 S744R462-V464 PolarHBondContact O-N 3.01Å; V464-K611 HydrophobicContact CG2-CB 4.42Å; V464-K611 HydrophobicContact CG2-CG 3.82Å; V464-D614 HydrophobicContact CG1-CB 3.62Å; V464-D614 VanDerWaalsContact CG1-CG 3.48Å; V464-D614 WeakPolarHBondContact CG1-OD2 3.37Å; V464-L742 HydrophobicContact CG1-CD1 4.22Å; V464-L742 HydrophobicContact CG1-CD2 4.43Å; V464-L742 HydrophobicContact CG1-CG 4.04Å; V464-L742 HydrophobicContact CG2-CD2 4.06Å; V464-L742 HydrophobicContact CG2-CG 4.41Å; V464-T743 PolarHBondContact N-O 3.3Å; V464-S744 WeakPolarHBondContact O-CA 3.19Å; V464-S744 WeakPolarHBondContact O-CB 3.29Å
465E90.4Very high89.1Confident120 Ų12064.9 Ų64.956%0.56132%0.323SS*.PPolyproline II helixtrans-97.7152.1172.5-62.7-49142.100112K463 P610K463-E465 WeakPolarHBondContact CE-OE1 3.34Å; K463-E465 VanDerWaalsContact NZ-CD 3.27Å; K463-E465 IonicContact NZ-OE1 3.2Å; K463-E465 PolarHBondContact NZ-OE1 3.35Å; K463-E465 IonicContact NZ-OE2 2.68Å; K463-E465 PolarHBondContact NZ-OE2 3.06Å; E465-P610 WeakPolarHBondContact O-CB 3.44Å
466S87.6Confident89.8Confident34 Ų3461 Ų6124%0.23831%0.308CS..PPolyproline II helixtrans-78.5167165.8-74.50000110.1T468 E557 S744S466-T468 PolarHBondContact O-N 3.21Å; S466-E557 WeakPolarHBondContact CB-OE1 3.41Å; S466-E557 PolarHBondContact OG-OE1 3.09Å; S466-S744 WeakPolarHBondContact OG-CB 3.49Å; S466-S744 PolarHBondContact OG-OG 3.28Å
467R86.6Confident90.4Very high29 Ų2955 Ų5511%0.10928%0.283CS..PPolyproline II helixtrans-57.1130.8177.6-63.5-176.9-172.287-15.8111.2T469 S556 A559 N607 N609R467-T469 WeakPolarHBondContact CB-O 3.15Å; R467-S556 PolarHBondContact NH1-O 2.82Å; R467-S556 PolarHBondContact NH2-O 3.42Å; R467-A559 PolarHBondContact NH2-O 2.85Å; R467-N607 PolarHBondContact NE-O 2.78Å; R467-N609 PolarHBondContact NH1-ND2 3.34Å
468T79.3Confident90.9Very high142 Ų14258.1 Ų58.187%0.87130%0.297SS*.SBendtrans-68.5-38.5177.346.90000112.2S466S466-T468 PolarHBondContact O-N 3.21Å
469T80.2Confident91.6Very high92 Ų9251.4 Ų51.456%0.56427%0.266SS*.  trans-117134.3170.645.20000109.5R467R467-T469 WeakPolarHBondContact CB-O 3.15Å
470N84.3Confident91.8Very high30 Ų3050 Ų5016%0.1626%0.259CS..  trans-13878.6177.4-168.4-20.5000109.9F472 K473 S474 M561N470-F472 VanDerWaalsContact C-N 3.3Å; N470-F472 PolarHBondContact O-N 2.84Å; N470-K473 HydrophobicContact CB-CB 3.94Å; N470-K473 PolarHBondContact O-N 2.92Å; N470-K473 VanDerWaalsContact O-N 3.15Å; N470-K473 WeakPolarHBondContact OD1-CB 3.5Å; N470-K473 PolarHBondContact OD1-N 3.35Å; N470-S474 PolarHBondContact O-N 2.77Å; N470-M561 WeakPolarHBondContact OD1-CE 3.49Å
471T90.1Very high91.8Very high58 Ų5854 Ų5436%0.35627%0.272SS..Hα-helixtrans-60.8-39.3-178.4-47.20000111.3K473 S474 I475 V601T471-K473 PolarHBondContact O-N 2.93Å; T471-S474 WeakPolarHBondContact O-CA 3.5Å; T471-S474 VanDerWaalsContact O-CB 3.24Å; T471-S474 WeakPolarHBondContact O-CB 3.5Å; T471-S474 PolarHBondContact O-N 2.76Å; T471-I475 HydrophobicContact CG2-CD1 4.2Å; T471-I475 WeakPolarHBondContact O-CG1 3.27Å; T471-I475 PolarHBondContact O-N 3.16Å; T471-V601 HydrophobicContact CG2-CG1 4.49Å; T471-V601 HydrophobicContact CG2-CG2 3.82Å
472F93.6Very high91.6Very high0 Ų054 Ų540%027%0.273CS..Hα-helixtrans-56.2-47.6173-176.5-86.1000111.6N470 S474 I475 I476 S556 M561 A564 L565 L598 V601N470-F472 VanDerWaalsContact C-N 3.3Å; N470-F472 PolarHBondContact O-N 2.84Å; F472-S474 VanDerWaalsContact C-N 3.27Å; F472-S474 PolarHBondContact O-N 2.88Å; F472-I475 PolarHBondContact O-N 2.97Å; F472-I476 HydrophobicContact CD1-CG1 4.08Å; F472-I476 HydrophobicContact CE1-CG1 3.74Å; F472-I476 HydrophobicContact CZ-CD1 4.4Å; F472-I476 HydrophobicContact CZ-CG1 3.98Å; F472-I476 WeakPolarHBondContact O-CG1 3.34Å; F472-I476 PolarHBondContact O-N 2.97Å; F472-S556 WeakPolarHBondContact CD1-OG 3.46Å; F472-M561 HydrophobicContact CB-CB 4.5Å; F472-M561 HydrophobicContact CB-CE 4.03Å; F472-M561 HydrophobicContact CB-CG 3.97Å; F472-M561 HydrophobicContact CB-SD 3.48Å; F472-M561 WeakPolarHBondContact CB-SD 3.18Å; F472-M561 HydrophobicContact CD2-CB 4.09Å; F472-M561 HydrophobicContact CD2-CG 4.44Å; F472-M561 HydrophobicContact CG-CB 4.25Å; F472-M561 HydrophobicContact CG-CG 4.12Å; F472-M561 HydrophobicContact CG-SD 4.23Å; F472-A564 HydrophobicContact CE1-CB 3.66Å; F472-A564 HydrophobicContact CE2-CB 4.49Å; F472-A564 HydrophobicContact CZ-CB 3.52Å; F472-L565 HydrophobicContact CE2-CB 4.1Å; F472-L598 HydrophobicContact CD2-CD2 3.58Å; F472-L598 HydrophobicContact CE2-CD2 3.75Å; F472-L598 HydrophobicContact CG-CD2 4.27Å; F472-V601 HydrophobicContact CB-CG1 3.97Å
473K93.4Very high91.4Very high76 Ų7649.3 Ų49.333%0.3326%0.256SS..Hα-helixtrans-61.6-35.1174.2179.3166-174172.40112.1N470 T471 S477 L553N470-K473 HydrophobicContact CB-CB 3.94Å; N470-K473 PolarHBondContact O-N 2.92Å; N470-K473 VanDerWaalsContact O-N 3.15Å; N470-K473 WeakPolarHBondContact OD1-CB 3.5Å; N470-K473 PolarHBondContact OD1-N 3.35Å; T471-K473 PolarHBondContact O-N 2.93Å; K473-S477 WeakPolarHBondContact O-CB 3.48Å; K473-S477 PolarHBondContact O-N 2.73Å; K473-S477 PolarHBondContact O-OG 2.9Å; K473-L553 HydrophobicContact CB-CD2 3.88Å; K473-L553 HydrophobicContact CG-CD2 3.78Å
474S93.6Very high91.2Very high68 Ų6845.9 Ų45.948%0.47624%0.241SC..Hα-helixtrans-63.2-49.9175.4-162.80000112.2N470 T471 F472 S477 Q478N470-S474 PolarHBondContact O-N 2.77Å; T471-S474 WeakPolarHBondContact O-CA 3.5Å; T471-S474 VanDerWaalsContact O-CB 3.24Å; T471-S474 WeakPolarHBondContact O-CB 3.5Å; T471-S474 PolarHBondContact O-N 2.76Å; F472-S474 VanDerWaalsContact C-N 3.27Å; F472-S474 PolarHBondContact O-N 2.88Å; S474-S477 PolarHBondContact O-N 3.36Å; S474-Q478 PolarHBondContact O-N 3.03Å
475I95.6Very high90.9Very high5 Ų552.5 Ų52.53%0.02627%0.27CS..Hα-helixtrans-63.7-50.8-179.3-59.5158.3000110.7T471 F472 S477 Q478 L479 K594 E597 L598 V601T471-I475 HydrophobicContact CG2-CD1 4.2Å; T471-I475 WeakPolarHBondContact O-CG1 3.27Å; T471-I475 PolarHBondContact O-N 3.16Å; F472-I475 PolarHBondContact O-N 2.97Å; I475-S477 VanDerWaalsContact C-N 3.3Å; I475-S477 PolarHBondContact O-N 3.01Å; I475-Q478 WeakPolarHBondContact O-CA 3.49Å; I475-Q478 WeakPolarHBondContact O-CB 3.45Å; I475-Q478 PolarHBondContact O-N 3.49Å; I475-L479 PolarHBondContact O-N 2.81Å; I475-K594 HydrophobicContact CG2-CB 3.99Å; I475-K594 HydrophobicContact CG2-CD 4.23Å; I475-K594 HydrophobicContact CG2-CG 4.07Å; I475-E597 HydrophobicContact CD1-CB 4.35Å; I475-E597 HydrophobicContact CD1-CG 3.71Å; I475-E597 WeakPolarHBondContact CD1-OE1 3.26Å; I475-E597 WeakPolarHBondContact CG1-OE1 3.42Å; I475-L598 HydrophobicContact CB-CD2 3.85Å; I475-L598 HydrophobicContact CD1-CD2 3.97Å; I475-L598 HydrophobicContact CD1-CG 4.45Å; I475-L598 HydrophobicContact CG2-CD1 4.36Å; I475-L598 HydrophobicContact CG2-CD2 3.7Å; I475-L598 HydrophobicContact CG2-CG 3.92Å; I475-V601 HydrophobicContact CD1-CG2 4.28Å
476I96.4Very high90.9Very high0 Ų049.6 Ų49.60%026%0.257CS..Hα-helixtrans-63.5-37.4177.7-60.3-56.5000110.9F472 Q478 L479 M480 Y549 L553 L568 L598F472-I476 HydrophobicContact CD1-CG1 4.08Å; F472-I476 HydrophobicContact CE1-CG1 3.74Å; F472-I476 HydrophobicContact CZ-CD1 4.4Å; F472-I476 HydrophobicContact CZ-CG1 3.98Å; F472-I476 WeakPolarHBondContact O-CG1 3.34Å; F472-I476 PolarHBondContact O-N 2.97Å; I476-Q478 PolarHBondContact O-N 2.9Å; I476-L479 HydrophobicContact CD1-CD1 4.17Å; I476-L479 PolarHBondContact O-N 3.38Å; I476-M480 HydrophobicContact CG2-CG 4.48Å; I476-M480 HydrophobicContact CG2-SD 4.2Å; I476-M480 VanDerWaalsContact O-CG 3.24Å; I476-M480 WeakPolarHBondContact O-CG 3.41Å; I476-M480 PolarHBondContact O-N 3.35Å; I476-Y549 HydrophobicContact CD1-CD1 4.32Å; I476-Y549 HydrophobicContact CG2-CD1 3.93Å; I476-Y549 HydrophobicContact CG2-CG 4.14Å; I476-L553 HydrophobicContact CB-CD2 3.82Å; I476-L553 HydrophobicContact CB-CG 4.32Å; I476-L553 HydrophobicContact CG2-CD1 4.21Å; I476-L553 HydrophobicContact CG2-CD2 3.85Å; I476-L553 HydrophobicContact CG2-CG 3.77Å; I476-L568 HydrophobicContact CD1-CD1 3.61Å; I476-L568 HydrophobicContact CG1-CD1 4.47Å; I476-L598 HydrophobicContact CD1-CD1 3.8Å; I476-L598 HydrophobicContact CD1-CD2 3.79Å; I476-L598 HydrophobicContact CD1-CG 4.49Å; I476-L598 HydrophobicContact CG1-CD2 4.07Å
477S94.8Very high90.9Very high10 Ų1048 Ų487%0.0725%0.246CC..Hα-helixtrans-65.2-26.4172.7-62.40000113.1K473 S474 I475 R481 F505K473-S477 WeakPolarHBondContact O-CB 3.48Å; K473-S477 PolarHBondContact O-N 2.73Å; K473-S477 PolarHBondContact O-OG 2.9Å; S474-S477 PolarHBondContact O-N 3.36Å; I475-S477 VanDerWaalsContact C-N 3.3Å; I475-S477 PolarHBondContact O-N 3.01Å; S477-R481 VanDerWaalsContact O-CG 3.31Å; S477-R481 WeakPolarHBondContact O-CG 3.4Å; S477-R481 PolarHBondContact O-N 3.02Å; S477-R481 VanDerWaalsContact O-N 3.09Å; S477-R481 PolarHBondContact O-NE 3.28Å; S477-R481 VanDerWaalsContact O-NE 3.17Å; S477-R481 PolarHBondContact O-NH2 3.09Å; S477-F505 WeakPolarHBondContact O-CE2 3.24Å
478Q95Very high90.8Very high75 Ų7551.1 Ų51.135%0.3526%0.261SS..Hα-helixtrans-71.9-51172.9173.7169.7-12.700110.5S474 I475 I476 M480 R481 E482S474-Q478 PolarHBondContact O-N 3.03Å; I475-Q478 WeakPolarHBondContact O-CA 3.49Å; I475-Q478 WeakPolarHBondContact O-CB 3.45Å; I475-Q478 PolarHBondContact O-N 3.49Å; I476-Q478 PolarHBondContact O-N 2.9Å; Q478-M480 PolarHBondContact O-N 3.06Å; Q478-R481 WeakPolarHBondContact O-CA 3.48Å; Q478-R481 WeakPolarHBondContact O-CB 3.33Å; Q478-R481 PolarHBondContact O-N 2.79Å; Q478-E482 HydrophobicContact CG-CG 4.46Å; Q478-E482 WeakPolarHBondContact CG-OE1 3.1Å; Q478-E482 PolarHBondContact NE2-OE1 2.86Å; Q478-E482 WeakPolarHBondContact O-CG 3.24Å; Q478-E482 PolarHBondContact O-N 3.03Å
479L95.8Very high91.2Very high2 Ų250 Ų501%0.0125%0.25CC..Hα-helixtrans-55.4-37.8174.6-65.7175.2000111.8I475 I476 T483 Y549 N590 F591 K594I475-L479 PolarHBondContact O-N 2.81Å; I476-L479 HydrophobicContact CD1-CD1 4.17Å; I476-L479 PolarHBondContact O-N 3.38Å; L479-T483 VanDerWaalsContact O-CB 3.28Å; L479-T483 WeakPolarHBondContact O-CB 3.39Å; L479-T483 PolarHBondContact O-N 2.86Å; L479-T483 PolarHBondContact O-OG1 2.78Å; L479-Y549 HydrophobicContact CB-CE1 4.32Å; L479-Y549 HydrophobicContact CB-CE2 4.12Å; L479-Y549 HydrophobicContact CD1-CE1 3.96Å; L479-N590 VanDerWaalsContact CD2-O 3.29Å; L479-N590 WeakPolarHBondContact CD2-O 3.4Å; L479-F591 HydrophobicContact CD1-CD2 4.16Å; L479-K594 HydrophobicContact CD1-CB 4.29Å; L479-K594 HydrophobicContact CD2-CG 4Å; L479-K594 HydrophobicContact CG-CG 4.44Å
480M95Very high91.4Very high0 Ų046.9 Ų46.90%023%0.23CC..Hα-helixtrans-66.2-43.8173.4-69.2176.482.500112.9I476 Q478 E482 T483 E484 F505 Y510 L546 Y549 N550 L553I476-M480 HydrophobicContact CG2-CG 4.48Å; I476-M480 HydrophobicContact CG2-SD 4.2Å; I476-M480 VanDerWaalsContact O-CG 3.24Å; I476-M480 WeakPolarHBondContact O-CG 3.41Å; I476-M480 PolarHBondContact O-N 3.35Å; Q478-M480 PolarHBondContact O-N 3.06Å; M480-E482 VanDerWaalsContact C-N 3.33Å; M480-E482 PolarHBondContact O-N 3.14Å; M480-T483 PolarHBondContact O-N 3.41Å; M480-E484 WeakPolarHBondContact O-CB 3.43Å; M480-E484 WeakPolarHBondContact O-CG 3.23Å; M480-E484 PolarHBondContact O-N 3.07Å; M480-F505 HydrophobicContact CB-CD1 4.18Å; M480-F505 HydrophobicContact CB-CE1 3.9Å; M480-F505 HydrophobicContact CB-CE2 4.25Å; M480-F505 HydrophobicContact CB-CG 4.48Å; M480-F505 HydrophobicContact CB-CZ 3.93Å; M480-F505 HydrophobicContact CE-CB 4Å; M480-F505 HydrophobicContact CE-CD1 3.41Å; M480-F505 VanDerWaalsContact CE-CD1 3.41Å; M480-F505 HydrophobicContact CE-CE1 4.09Å; M480-F505 HydrophobicContact CE-CG 3.93Å; M480-F505 HydrophobicContact SD-CB 3.85Å; M480-F505 HydrophobicContact SD-CD1 3.91Å; M480-F505 HydrophobicContact SD-CD2 4.5Å; M480-F505 HydrophobicContact SD-CG 3.87Å; M480-Y510 HydrophobicContact CE-CD1 3.83Å; M480-Y510 HydrophobicContact CE-CE1 3.2Å; M480-L546 HydrophobicContact CB-CD2 3.88Å; M480-L546 HydrophobicContact CE-CD2 4.45Å; M480-L546 HydrophobicContact CG-CD2 4.03Å; M480-L546 WeakPolarHBondContact O-CD2 3.4Å; M480-Y549 VanDerWaalsContact CG-CB 3.41Å; M480-Y549 HydrophobicContact CG-CD2 3.89Å; M480-Y549 HydrophobicContact CG-CG 3.93Å; M480-N550 HydrophobicContact CE-CB 3.98Å; M480-L553 HydrophobicContact SD-CD1 3.66Å
481R93.3Very high91.2Very high122 Ų12246.3 Ų46.346%0.4623%0.228SC..Hα-helixtrans-63.2-38175-76.4176.5-67.8-1090.3112.5S477 Q478 K485 F505S477-R481 VanDerWaalsContact O-CG 3.31Å; S477-R481 WeakPolarHBondContact O-CG 3.4Å; S477-R481 PolarHBondContact O-N 3.02Å; S477-R481 VanDerWaalsContact O-N 3.09Å; S477-R481 PolarHBondContact O-NE 3.28Å; S477-R481 VanDerWaalsContact O-NE 3.17Å; S477-R481 PolarHBondContact O-NH2 3.09Å; Q478-R481 WeakPolarHBondContact O-CA 3.48Å; Q478-R481 WeakPolarHBondContact O-CB 3.33Å; Q478-R481 PolarHBondContact O-N 2.79Å; R481-K485 WeakPolarHBondContact O-CB 3.41Å; R481-K485 PolarHBondContact O-N 2.91Å; R481-F505 HydrophobicContact CG-CE2 3.81Å; R481-F505 HydrophobicContact CG-CZ 3.79Å
482E93.1Very high90.7Very high70 Ų7051.5 Ų51.533%0.32725%0.249SC..Hα-helixtrans-68.9-44.4177-73.1157.4175.900110.8Q478 M480 K485 L486Q478-E482 HydrophobicContact CG-CG 4.46Å; Q478-E482 WeakPolarHBondContact CG-OE1 3.1Å; Q478-E482 PolarHBondContact NE2-OE1 2.86Å; Q478-E482 WeakPolarHBondContact O-CG 3.24Å; Q478-E482 PolarHBondContact O-N 3.03Å; M480-E482 VanDerWaalsContact C-N 3.33Å; M480-E482 PolarHBondContact O-N 3.14Å; E482-K485 WeakPolarHBondContact O-CB 3.32Å; E482-K485 PolarHBondContact O-N 3.22Å; E482-L486 WeakPolarHBondContact O-CG 3.42Å; E482-L486 PolarHBondContact O-N 3.05Å
483T91.9Very high89.8Confident4 Ų457.3 Ų57.33%0.02528%0.276CS..Hα-helixtrans-62.5-42.1174.1-55.30000112L479 M480 L486 A487 Y542 L546 L587L479-T483 VanDerWaalsContact O-CB 3.28Å; L479-T483 WeakPolarHBondContact O-CB 3.39Å; L479-T483 PolarHBondContact O-N 2.86Å; L479-T483 PolarHBondContact O-OG1 2.78Å; M480-T483 PolarHBondContact O-N 3.41Å; T483-L486 PolarHBondContact O-N 2.84Å; T483-A487 WeakPolarHBondContact O-CB 3.33Å; T483-A487 PolarHBondContact O-N 2.73Å; T483-Y542 HydrophobicContact CG2-CD1 3.87Å; T483-Y542 HydrophobicContact CG2-CG 4.38Å; T483-L546 HydrophobicContact CG2-CD1 4.32Å; T483-L546 HydrophobicContact CG2-CD2 3.83Å; T483-L546 HydrophobicContact CG2-CG 3.71Å; T483-L587 HydrophobicContact CG2-CD2 4.01Å
484E90.4Very high88.8Confident21 Ų2154.1 Ų54.110%0.09826%0.263CS..Hα-helixtrans-64-37.1172.9-77.4-170.7168.700112.6M480 K488 F498 R503 Y510 W513 L546M480-E484 WeakPolarHBondContact O-CB 3.43Å; M480-E484 WeakPolarHBondContact O-CG 3.23Å; M480-E484 PolarHBondContact O-N 3.07Å; E484-K488 VanDerWaalsContact O-CB 3.3Å; E484-K488 WeakPolarHBondContact O-CB 3.34Å; E484-K488 PolarHBondContact O-N 2.72Å; E484-F498 HydrophobicContact CB-CD1 4.45Å; E484-F498 HydrophobicContact CG-CD1 4.35Å; E484-R503 IonicContact OE1-CZ 2.69Å; E484-R503 IonicContact OE1-NE 3.45Å; E484-R503 PolarHBondContact OE1-NE 3.18Å; E484-R503 IonicContact OE1-NH2 2.83Å; E484-R503 PolarHBondContact OE1-NH2 3.22Å; E484-R503 IonicContact OE2-CZ 2.74Å; E484-R503 IonicContact OE2-NE 2.62Å; E484-R503 IonicContact OE2-NH2 2.71Å; E484-R503 PolarHBondContact OE2-NH2 3.39Å; E484-Y510 VanDerWaalsContact OE1-CE2 3.27Å; E484-Y510 WeakPolarHBondContact OE1-CE2 3.49Å; E484-Y510 PolarHBondContact OE1-OH 3.29Å; E484-W513 HydrophobicContact CG-CH2 4.27Å; E484-W513 WeakPolarHBondContact OE1-CH2 3.47Å; E484-L546 HydrophobicContact CG-CD1 3.77Å; E484-L546 HydrophobicContact CG-CD2 4.1Å
485K89.4Confident87.6Confident145 Ų14551 Ų5163%0.6324%0.241SC*.Hα-helixtrans-66.7-42.7176.4-178.5-172.2174.8-1680111.3R481 E482 K488 N489R481-K485 WeakPolarHBondContact O-CB 3.41Å; R481-K485 PolarHBondContact O-N 2.91Å; E482-K485 WeakPolarHBondContact O-CB 3.32Å; E482-K485 PolarHBondContact O-N 3.22Å; K485-K488 PolarHBondContact O-N 3.2Å; K485-N489 VanDerWaalsContact O-CG 3.26Å; K485-N489 PolarHBondContact O-N 2.71Å; K485-N489 PolarHBondContact O-OD1 2.73Å
486L89.5Confident86.6Confident58 Ų5856.2 Ų56.230%0.30426%0.263SS..Hα-helixtrans-61.2-50.7173.5-69.5172.6000110.6E482 T483 K488 N489 Y542E482-L486 WeakPolarHBondContact O-CG 3.42Å; E482-L486 PolarHBondContact O-N 3.05Å; T483-L486 PolarHBondContact O-N 2.84Å; L486-K488 VanDerWaalsContact C-N 3.34Å; L486-K488 PolarHBondContact O-N 3.46Å; L486-N489 PolarHBondContact O-N 2.64Å; L486-Y542 HydrophobicContact CB-CD1 4.44Å; L486-Y542 HydrophobicContact CB-CE1 3.77Å; L486-Y542 HydrophobicContact CB-CE2 4.26Å; L486-Y542 HydrophobicContact CD1-CE1 4.03Å
487A86.8Confident85.5Confident1 Ų158.5 Ų58.51%0.00828%0.275CS..Hα-helixtrans-57.7-42.8177.600000113T483 N489 V490 F498 L539 Y542T483-A487 WeakPolarHBondContact O-CB 3.33Å; T483-A487 PolarHBondContact O-N 2.73Å; A487-N489 PolarHBondContact O-N 3.23Å; A487-V490 WeakPolarHBondContact O-CB 3.49Å; A487-V490 WeakPolarHBondContact O-CG2 3.41Å; A487-V490 PolarHBondContact O-N 3.38Å; A487-F498 HydrophobicContact CB-CD1 4.43Å; A487-F498 HydrophobicContact CB-CE1 3.69Å; A487-F498 HydrophobicContact CB-CE2 4.32Å; A487-F498 HydrophobicContact CB-CZ 3.63Å; A487-L539 HydrophobicContact CB-CD2 3.96Å; A487-L539 WeakPolarHBondContact O-CD2 3.32Å; A487-Y542 HydrophobicContact CB-CD2 3.75Å; A487-Y542 HydrophobicContact CB-CG 3.97Å
488K86.3Confident84.3Confident95 Ų9558.5 Ų58.541%0.41327%0.274SS..Hα-helixtrans-59.8-32.1176.8-175.4-178.1178-170.80112.8E484 K485 L486 V490 F498E484-K488 VanDerWaalsContact O-CB 3.3Å; E484-K488 WeakPolarHBondContact O-CB 3.34Å; E484-K488 PolarHBondContact O-N 2.72Å; K485-K488 PolarHBondContact O-N 3.2Å; L486-K488 VanDerWaalsContact C-N 3.34Å; L486-K488 PolarHBondContact O-N 3.46Å; K488-V490 VanDerWaalsContact C-N 3.32Å; K488-F498 HydrophobicContact CB-CB 4.4Å
489N86.2Confident82.9Confident119 Ų11960.4 Ų60.464%0.63628%0.283SS*.THydrogen-bonded Turntrans-81.3-7.7-177.7-68.9-4.7000113.8K485 L486 A487K485-N489 VanDerWaalsContact O-CG 3.26Å; K485-N489 PolarHBondContact O-N 2.71Å; K485-N489 PolarHBondContact O-OD1 2.73Å; L486-N489 PolarHBondContact O-N 2.64Å; A487-N489 PolarHBondContact O-N 3.23Å
490V84.7Confident81.3Confident26 Ų2664.8 Ų64.816%0.15831%0.306CS..THydrogen-bonded Turntrans-72.6-33.1-178.8-175.30000112.5A487 K488 I535 V538 L539 Y542A487-V490 WeakPolarHBondContact O-CB 3.49Å; A487-V490 WeakPolarHBondContact O-CG2 3.41Å; A487-V490 PolarHBondContact O-N 3.38Å; K488-V490 VanDerWaalsContact C-N 3.32Å; V490-I535 HydrophobicContact CG1-CB 4.22Å; V490-I535 HydrophobicContact CG1-CG1 3.95Å; V490-I535 HydrophobicContact CG1-CG2 4.02Å; V490-V538 HydrophobicContact CG1-CG1 4.22Å; V490-V538 HydrophobicContact CG2-CG1 3.86Å; V490-L539 HydrophobicContact CB-CD2 4.05Å; V490-L539 HydrophobicContact CB-CG 4.25Å; V490-L539 HydrophobicContact CG1-CG 4.16Å; V490-L539 HydrophobicContact CG2-CD2 4.08Å; V490-Y542 HydrophobicContact CG2-CD2 4.18Å; V490-Y542 HydrophobicContact CG2-CE2 3.66Å
491S80.7Confident79.5Confident17 Ų1772.7 Ų72.712%0.11934%0.342CS..  trans-155.5129.8-179.2164.50000109.8E493 L494 G495S491-E493 VanDerWaalsContact C-N 3.26Å; S491-E493 PolarHBondContact O-N 2.97Å; S491-E493 PolarHBondContact OG-N 2.95Å; S491-L494 PolarHBondContact OG-N 2.83Å; S491-G495 WeakPolarHBondContact O-CA 3.31Å; S491-G495 PolarHBondContact O-N 3.08Å
492E78.7Confident78.1Confident167 Ų16774.3 Ų74.378%0.7836%0.36SS*.THydrogen-bonded Turntrans-64-32.9179.2-166.1-168.1151.500112.1K496E492-K496 WeakPolarHBondContact O-CE 3.49Å
493E75.9Confident77.3Confident122 Ų12273.8 Ų73.857%0.5736%0.355SS*.THydrogen-bonded Turntrans-74-54.2179.7-169.9176.1169.100111.5S491 G495 K496 F524S491-E493 VanDerWaalsContact C-N 3.26Å; S491-E493 PolarHBondContact O-N 2.97Å; S491-E493 PolarHBondContact OG-N 2.95Å; E493-G495 PolarHBondContact O-N 3.18Å; E493-K496 VanDerWaalsContact O-CB 3.27Å; E493-K496 WeakPolarHBondContact O-CB 3.38Å; E493-K496 WeakPolarHBondContact O-CG 3.2Å; E493-K496 PolarHBondContact O-N 3.04Å; E493-K496 VanDerWaalsContact O-N 3.09Å; E493-F524 HydrophobicContact CB-CE2 4.37Å
494L71Confident77Confident10 Ų1080.2 Ų80.25%0.05239%0.385CS..G310 helixtrans-68.4-27.2178.3-63.5178.3000111.9S491 K496 L497 F498 F524 I535 L539S491-L494 PolarHBondContact OG-N 2.83Å; L494-K496 PolarHBondContact O-N 2.95Å; L494-L497 HydrophobicContact CB-CD1 4.41Å; L494-L497 HydrophobicContact CD2-CD1 3.74Å; L494-L497 VanDerWaalsContact O-CB 3.27Å; L494-L497 WeakPolarHBondContact O-CB 3.08Å; L494-L497 WeakPolarHBondContact O-CG 3.28Å; L494-L497 PolarHBondContact O-N 3.06Å; L494-F498 WeakPolarHBondContact O-CD2 3.45Å; L494-F524 HydrophobicContact CD1-CB 4.01Å; L494-F524 HydrophobicContact CD1-CD1 3.68Å; L494-F524 HydrophobicContact CD1-CD2 3.97Å; L494-F524 HydrophobicContact CD1-CE1 4.09Å; L494-F524 HydrophobicContact CD1-CE2 4.38Å; L494-F524 HydrophobicContact CD1-CG 3.6Å; L494-F524 HydrophobicContact CD1-CZ 4.43Å; L494-F524 HydrophobicContact CD2-CB 4.08Å; L494-F524 HydrophobicContact CD2-CD2 3.77Å; L494-F524 HydrophobicContact CD2-CE2 4.46Å; L494-F524 HydrophobicContact CD2-CG 4Å; L494-F524 HydrophobicContact CG-CB 4.49Å; L494-F524 HydrophobicContact CG-CD1 4.39Å; L494-F524 HydrophobicContact CG-CD2 3.81Å; L494-F524 HydrophobicContact CG-CE2 4.09Å; L494-F524 HydrophobicContact CG-CG 3.97Å; L494-F524 HydrophobicContact CG-CZ 4.49Å; L494-I535 HydrophobicContact CD1-CG2 4.1Å; L494-L539 HydrophobicContact CB-CD1 4.06Å; L494-L539 HydrophobicContact CD1-CD1 3.3Å; L494-L539 HydrophobicContact CG-CD1 4.33Å
495G68.9Low77Confident2 Ų280.6 Ų80.62%0.02139%0.386CS..G310 helixtrans-60-9.1170.300000114.8S491 E493 Q499S491-G495 WeakPolarHBondContact O-CA 3.31Å; S491-G495 PolarHBondContact O-N 3.08Å; E493-G495 PolarHBondContact O-N 3.18Å; G495-Q499 WeakPolarHBondContact O-CG 3.41Å; G495-Q499 PolarHBondContact O-NE2 3.13Å
496K74.8Confident76.9Confident114 Ų11474.5 Ų74.550%0.49637%0.365SS..G310 helixtrans-77.7-31.3169.1-63.2161.6-169.9168.50112.2E492 E493 L494 F498 Q499E492-K496 WeakPolarHBondContact O-CE 3.49Å; E493-K496 VanDerWaalsContact O-CB 3.27Å; E493-K496 WeakPolarHBondContact O-CB 3.38Å; E493-K496 WeakPolarHBondContact O-CG 3.2Å; E493-K496 PolarHBondContact O-N 3.04Å; E493-K496 VanDerWaalsContact O-N 3.09Å; L494-K496 PolarHBondContact O-N 2.95Å; K496-F498 PolarHBondContact O-N 2.85Å; K496-Q499 VanDerWaalsContact O-CB 3.32Å; K496-Q499 WeakPolarHBondContact O-CB 3.36Å; K496-Q499 PolarHBondContact O-N 2.8Å
497L72.4Confident76.7Confident49 Ų4973.3 Ų73.326%0.25736%0.36SS..G310 helixtrans-64.4-29176.3-55.4170.3000112.2L494 Q499 I500 W513 V517 A520L494-L497 HydrophobicContact CB-CD1 4.41Å; L494-L497 HydrophobicContact CD2-CD1 3.74Å; L494-L497 VanDerWaalsContact O-CB 3.27Å; L494-L497 WeakPolarHBondContact O-CB 3.08Å; L494-L497 WeakPolarHBondContact O-CG 3.28Å; L494-L497 PolarHBondContact O-N 3.06Å; L497-Q499 PolarHBondContact O-N 2.65Å; L497-I500 WeakPolarHBondContact O-CG1 3.33Å; L497-W513 PolarHBondContact O-NE1 3.12Å; L497-V517 HydrophobicContact CB-CG2 4.34Å; L497-A520 HydrophobicContact CD1-CB 3.49Å; L497-A520 VanDerWaalsContact CD1-CB 3.49Å; L497-A520 HydrophobicContact CD2-CB 4.41Å
498F71.1Confident76.3Confident10 Ų1079.7 Ų79.74%0.04439%0.39CS..G310 helixtrans-78.60174.5-64.8-96.1000113.4E484 A487 K488 L494 K496 R503 W513 V517 L539 T543E484-F498 HydrophobicContact CB-CD1 4.45Å; E484-F498 HydrophobicContact CG-CD1 4.35Å; A487-F498 HydrophobicContact CB-CD1 4.43Å; A487-F498 HydrophobicContact CB-CE1 3.69Å; A487-F498 HydrophobicContact CB-CE2 4.32Å; A487-F498 HydrophobicContact CB-CZ 3.63Å; K488-F498 HydrophobicContact CB-CB 4.4Å; L494-F498 WeakPolarHBondContact O-CD2 3.45Å; K496-F498 PolarHBondContact O-N 2.85Å; F498-R503 VanDerWaalsContact O-CZ 3.32Å; F498-R503 PolarHBondContact O-NH1 3.09Å; F498-R503 PolarHBondContact O-NH2 3.09Å; F498-W513 AromaticContact CD1-CH2 3.61Å; F498-W513 HydrophobicContact CD1-CH2 3.61Å; F498-W513 AromaticContact CD1-CZ2 3.58Å; F498-W513 HydrophobicContact CD1-CZ2 3.58Å; F498-W513 AromaticContact CE1-CH2 3.65Å; F498-W513 HydrophobicContact CE1-CH2 3.65Å; F498-W513 AromaticContact CE1-CZ2 3.9Å; F498-W513 HydrophobicContact CE1-CZ2 3.9Å; F498-W513 HydrophobicContact CG-CZ2 4.18Å; F498-V517 HydrophobicContact CE2-CG1 4.05Å; F498-V517 HydrophobicContact CZ-CG1 3.84Å; F498-L539 HydrophobicContact CE2-CD2 4.3Å; F498-L539 HydrophobicContact CZ-CD2 4.34Å; F498-T543 HydrophobicContact CZ-CG2 4.3Å
499Q64.7Low76.1Confident114 Ų11483 Ų8353%0.53340%0.404SS..G310 helixtrans-95.5-6.1178.3-54.9179.929.800113.5G495 K496 L497 Q501G495-Q499 WeakPolarHBondContact O-CG 3.41Å; G495-Q499 PolarHBondContact O-NE2 3.13Å; K496-Q499 VanDerWaalsContact O-CB 3.32Å; K496-Q499 WeakPolarHBondContact O-CB 3.36Å; K496-Q499 PolarHBondContact O-N 2.8Å; L497-Q499 PolarHBondContact O-N 2.65Å; Q499-Q501 PolarHBondContact O-N 2.62Å
500I62.1Low76.2Confident95 Ų9577.3 Ų77.349%0.48737%0.374SS..  trans-62.2119.5-179.9-59.2172000110.1L497 R503L497-I500 WeakPolarHBondContact O-CG1 3.33Å; I500-R503 PolarHBondContact O-NH1 3.02Å
501Q58.6Low76Confident165 Ų16577.7 Ų77.777%0.77137%0.374SS*.SBendtrans-77167.2-176.7-63.3-176.9-3.400112.5Q499Q499-Q501 PolarHBondContact O-N 2.62Å
502N62.1Low75.9Confident157 Ų15781.2 Ų81.284%0.8439%0.388SS*.  trans63.538.9178-55.9-19000115.6
503R77.1Confident76.2Confident59 Ų5974.2 Ų74.222%0.22336%0.355CS..  trans-103.2132.8164.871.2-179-177-94.73.9110.8E484 F498 I500 Y510E484-R503 IonicContact OE1-CZ 2.69Å; E484-R503 IonicContact OE1-NE 3.45Å; E484-R503 PolarHBondContact OE1-NE 3.18Å; E484-R503 IonicContact OE1-NH2 2.83Å; E484-R503 PolarHBondContact OE1-NH2 3.22Å; E484-R503 IonicContact OE2-CZ 2.74Å; E484-R503 IonicContact OE2-NE 2.62Å; E484-R503 IonicContact OE2-NH2 2.71Å; E484-R503 PolarHBondContact OE2-NH2 3.39Å; F498-R503 VanDerWaalsContact O-CZ 3.32Å; F498-R503 PolarHBondContact O-NH1 3.09Å; F498-R503 PolarHBondContact O-NH2 3.09Å; I500-R503 PolarHBondContact O-NH1 3.02Å; R503-Y510 HydrophobicContact CB-CD2 4.11Å; R503-Y510 HydrophobicContact CG-CD2 4.16Å; R503-Y510 HydrophobicContact CG-CE2 4.17Å
504E85.9Confident76.6Confident138 Ų13868.4 Ų68.465%0.64533%0.328SS*.  trans-120.1131.7-179.2-71178.7175.100110.6T507 Y510E504-T507 HydrophobicContact CB-CG2 3.94Å; E504-T507 WeakPolarHBondContact O-CG2 3.06Å; E504-T507 PolarHBondContact O-OG1 3.44Å; E504-Y510 WeakPolarHBondContact O-CB 3.43Å
505F91Very high76.9Confident29 Ų2969.8 Ų69.813%0.12734%0.337CS..SBendtrans-69.7143.3179.8-51.4-51000112.8S477 M480 R481 Y510 L553S477-F505 WeakPolarHBondContact O-CE2 3.24Å; M480-F505 HydrophobicContact CB-CD1 4.18Å; M480-F505 HydrophobicContact CB-CE1 3.9Å; M480-F505 HydrophobicContact CB-CE2 4.25Å; M480-F505 HydrophobicContact CB-CG 4.48Å; M480-F505 HydrophobicContact CB-CZ 3.93Å; M480-F505 HydrophobicContact CE-CB 4Å; M480-F505 HydrophobicContact CE-CD1 3.41Å; M480-F505 VanDerWaalsContact CE-CD1 3.41Å; M480-F505 HydrophobicContact CE-CE1 4.09Å; M480-F505 HydrophobicContact CE-CG 3.93Å; M480-F505 HydrophobicContact SD-CB 3.85Å; M480-F505 HydrophobicContact SD-CD1 3.91Å; M480-F505 HydrophobicContact SD-CD2 4.5Å; M480-F505 HydrophobicContact SD-CG 3.87Å; R481-F505 HydrophobicContact CG-CE2 3.81Å; R481-F505 HydrophobicContact CG-CZ 3.79Å; F505-Y510 AromaticContact CD1-CD2 3.87Å; F505-Y510 HydrophobicContact CD1-CD2 3.87Å; F505-Y510 HydrophobicContact CD1-CE1 4.2Å; F505-Y510 AromaticContact CD1-CE2 3.42Å; F505-Y510 HydrophobicContact CD1-CE2 3.42Å; F505-Y510 VanDerWaalsContact CD1-CE2 3.42Å; F505-Y510 HydrophobicContact CD1-CG 4.46Å; F505-Y510 AromaticContact CD1-CZ 3.61Å; F505-Y510 HydrophobicContact CE1-CD2 4.35Å; F505-Y510 AromaticContact CE1-CE2 3.5Å; F505-Y510 HydrophobicContact CE1-CE2 3.5Å; F505-Y510 AromaticContact CE1-CZ 3.66Å; F505-L553 HydrophobicContact CB-CD1 3.5Å
506G87Confident77.4Confident18 Ų1873 Ų7319%0.18635%0.353CS..SBendtrans80.235.8-176.100000112.6N550 I554G506-N550 VanDerWaalsContact CA-OD1 3.25Å; G506-N550 WeakPolarHBondContact CA-OD1 3.36Å; G506-N550 PolarHBondContact N-OD1 3.1Å; G506-I554 WeakPolarHBondContact O-CG1 3.42Å
507T84.8Confident77.7Confident33 Ų3367.8 Ų67.820%0.20233%0.331CS..SBendtrans-137.1155.3-176.273.70000113.1E504 K509 Y510 E511 N550E504-T507 HydrophobicContact CB-CG2 3.94Å; E504-T507 WeakPolarHBondContact O-CG2 3.06Å; E504-T507 PolarHBondContact O-OG1 3.44Å; T507-K509 PolarHBondContact O-N 3.26Å; T507-Y510 PolarHBondContact O-N 3.43Å; T507-Y510 PolarHBondContact OG1-N 2.84Å; T507-E511 PolarHBondContact O-N 3.5Å; T507-N550 PolarHBondContact N-OD1 2.92Å; T507-N550 PolarHBondContact O-ND2 3.11Å; T507-N550 PolarHBondContact O-OD1 3.1Å
508Q78Confident77.8Confident134 Ų13467.3 Ų67.363%0.62633%0.327SS*.Hα-helixtrans-63-28.1172.8-163.163.56400112.6E511 Q512Q508-E511 PolarHBondContact NE2-OE2 3.21Å; Q508-Q512 PolarHBondContact O-N 2.94Å
509K83.1Confident78Confident164 Ų16470.5 Ų70.571%0.71334%0.341SS*.Hα-helixtrans-67-37.9175-66.6179.2-179.1172.70111.5T507 Q512 W513T507-K509 PolarHBondContact O-N 3.26Å; K509-Q512 PolarHBondContact O-N 2.96Å; K509-W513 PolarHBondContact O-N 3.33Å
510Y86.7Confident78.7Confident0 Ų066.4 Ų66.40%033%0.327CS..Hα-helixtrans-70-41177.4-166.5-95.2000112M480 E484 R503 E504 F505 T507 Q512 W513 I514 L546 N550M480-Y510 HydrophobicContact CE-CD1 3.83Å; M480-Y510 HydrophobicContact CE-CE1 3.2Å; E484-Y510 VanDerWaalsContact OE1-CE2 3.27Å; E484-Y510 WeakPolarHBondContact OE1-CE2 3.49Å; E484-Y510 PolarHBondContact OE1-OH 3.29Å; R503-Y510 HydrophobicContact CB-CD2 4.11Å; R503-Y510 HydrophobicContact CG-CD2 4.16Å; R503-Y510 HydrophobicContact CG-CE2 4.17Å; E504-Y510 WeakPolarHBondContact O-CB 3.43Å; F505-Y510 AromaticContact CD1-CD2 3.87Å; F505-Y510 HydrophobicContact CD1-CD2 3.87Å; F505-Y510 HydrophobicContact CD1-CE1 4.2Å; F505-Y510 AromaticContact CD1-CE2 3.42Å; F505-Y510 HydrophobicContact CD1-CE2 3.42Å; F505-Y510 VanDerWaalsContact CD1-CE2 3.42Å; F505-Y510 HydrophobicContact CD1-CG 4.46Å; F505-Y510 AromaticContact CD1-CZ 3.61Å; F505-Y510 HydrophobicContact CE1-CD2 4.35Å; F505-Y510 AromaticContact CE1-CE2 3.5Å; F505-Y510 HydrophobicContact CE1-CE2 3.5Å; F505-Y510 AromaticContact CE1-CZ 3.66Å; T507-Y510 PolarHBondContact O-N 3.43Å; T507-Y510 PolarHBondContact OG1-N 2.84Å; Y510-Q512 VanDerWaalsContact C-N 3.32Å; Y510-Q512 PolarHBondContact O-N 2.82Å; Y510-W513 HydrophobicContact CD2-CE3 4.06Å; Y510-W513 HydrophobicContact CD2-CZ3 4.45Å; Y510-W513 HydrophobicContact CE1-CE3 4.3Å; Y510-W513 HydrophobicContact CE1-CZ3 4.09Å; Y510-W513 AromaticContact CE2-CE3 3.69Å; Y510-W513 HydrophobicContact CE2-CE3 3.69Å; Y510-W513 AromaticContact CE2-CZ3 3.64Å; Y510-W513 HydrophobicContact CE2-CZ3 3.64Å; Y510-W513 HydrophobicContact CG-CE3 4.47Å; Y510-W513 AromaticContact CZ-CE3 3.83Å; Y510-W513 AromaticContact CZ-CZ3 3.43Å; Y510-W513 VanDerWaalsContact CZ-CZ3 3.43Å; Y510-W513 PolarHBondContact O-N 3.14Å; Y510-W513 WeakPolarHBondContact OH-CZ3 3.3Å; Y510-I514 HydrophobicContact CD1-CD1 3.72Å; Y510-I514 HydrophobicContact CD1-CG1 4.27Å; Y510-I514 HydrophobicContact CE1-CD1 3.62Å; Y510-I514 HydrophobicContact CE1-CG1 4.08Å; Y510-I514 WeakPolarHBondContact O-CG1 3.2Å; Y510-I514 PolarHBondContact O-N 3.27Å; Y510-L546 HydrophobicContact CE1-CB 4.32Å; Y510-N550 WeakPolarHBondContact CB-OD1 3.43Å; Y510-N550 HydrophobicContact CD1-CB 3.86Å; Y510-N550 WeakPolarHBondContact CD1-OD1 3.49Å; Y510-N550 HydrophobicContact CE1-CB 4.35Å
511E81.8Confident79.4Confident34 Ų3462.2 Ų62.216%0.15931%0.306CS..Hα-helixtrans-60.9-40.5172-171.5179.5-157.500112T507 Q508 I514 V515 R547T507-E511 PolarHBondContact O-N 3.5Å; Q508-E511 PolarHBondContact NE2-OE2 3.21Å; E511-I514 PolarHBondContact O-N 2.89Å; E511-V515 WeakPolarHBondContact O-CG2 3.39Å; E511-V515 PolarHBondContact O-N 2.99Å; E511-R547 IonicContact OE1-CZ 2.64Å; E511-R547 IonicContact OE1-NE 2.9Å; E511-R547 PolarHBondContact OE1-NE 3.35Å; E511-R547 IonicContact OE1-NH2 3.91Å; E511-R547 PolarHBondContact OE1-NH2 2.81Å
512Q78.4Confident80.1Confident91 Ų9155.2 Ų55.243%0.42527%0.273SS..Hα-helixtrans-61.7-44173.9-178.356.35500111.8Q508 K509 Y510 I514 V515 D516Q508-Q512 PolarHBondContact O-N 2.94Å; K509-Q512 PolarHBondContact O-N 2.96Å; Y510-Q512 VanDerWaalsContact C-N 3.32Å; Y510-Q512 PolarHBondContact O-N 2.82Å; Q512-I514 PolarHBondContact O-N 2.89Å; Q512-V515 WeakPolarHBondContact O-CB 3.45Å; Q512-V515 PolarHBondContact O-N 2.62Å; Q512-V515 VanDerWaalsContact O-N 3.16Å; Q512-D516 VanDerWaalsContact NE2-CG 3.3Å; Q512-D516 PolarHBondContact NE2-OD1 3.39Å; Q512-D516 PolarHBondContact NE2-OD2 2.92Å; Q512-D516 PolarHBondContact O-N 3.1Å; Q512-D516 VanDerWaalsContact O-OD2 3.14Å
513W85.8Confident80.8Confident20 Ų2050.2 Ų50.28%0.07625%0.248CC..Hα-helixtrans-61.7-41.1174.9168.182.6000112.4E484 L497 F498 K509 Y510 V515 D516 V517 L546E484-W513 HydrophobicContact CG-CH2 4.27Å; E484-W513 WeakPolarHBondContact OE1-CH2 3.47Å; L497-W513 PolarHBondContact O-NE1 3.12Å; F498-W513 AromaticContact CD1-CH2 3.61Å; F498-W513 HydrophobicContact CD1-CH2 3.61Å; F498-W513 AromaticContact CD1-CZ2 3.58Å; F498-W513 HydrophobicContact CD1-CZ2 3.58Å; F498-W513 AromaticContact CE1-CH2 3.65Å; F498-W513 HydrophobicContact CE1-CH2 3.65Å; F498-W513 AromaticContact CE1-CZ2 3.9Å; F498-W513 HydrophobicContact CE1-CZ2 3.9Å; F498-W513 HydrophobicContact CG-CZ2 4.18Å; K509-W513 PolarHBondContact O-N 3.33Å; Y510-W513 HydrophobicContact CD2-CE3 4.06Å; Y510-W513 HydrophobicContact CD2-CZ3 4.45Å; Y510-W513 HydrophobicContact CE1-CE3 4.3Å; Y510-W513 HydrophobicContact CE1-CZ3 4.09Å; Y510-W513 AromaticContact CE2-CE3 3.69Å; Y510-W513 HydrophobicContact CE2-CE3 3.69Å; Y510-W513 AromaticContact CE2-CZ3 3.64Å; Y510-W513 HydrophobicContact CE2-CZ3 3.64Å; Y510-W513 HydrophobicContact CG-CE3 4.47Å; Y510-W513 AromaticContact CZ-CE3 3.83Å; Y510-W513 AromaticContact CZ-CZ3 3.43Å; Y510-W513 VanDerWaalsContact CZ-CZ3 3.43Å; Y510-W513 PolarHBondContact O-N 3.14Å; Y510-W513 WeakPolarHBondContact OH-CZ3 3.3Å; W513-V515 VanDerWaalsContact C-N 3.31Å; W513-V515 PolarHBondContact O-N 2.85Å; W513-D516 PolarHBondContact O-N 3.47Å; W513-D516 VanDerWaalsContact O-N 3.13Å; W513-V517 HydrophobicContact CD2-CG2 4.17Å; W513-V517 HydrophobicContact CH2-CG2 4.48Å; W513-V517 HydrophobicContact CZ2-CG2 3.79Å; W513-V517 WeakPolarHBondContact O-CG2 2.49Å; W513-V517 PolarHBondContact O-N 3.4Å; W513-L546 HydrophobicContact CH2-CD1 4.39Å; W513-L546 HydrophobicContact CZ3-CD1 4.35Å
514I82.6Confident81Confident0 Ų048.2 Ų48.20%024%0.241CC..Hα-helixtrans-56.9-46.3172-70.8164.1000110.8Y510 E511 Q512 D516 V517 H518 L546 R547Y510-I514 HydrophobicContact CD1-CD1 3.72Å; Y510-I514 HydrophobicContact CD1-CG1 4.27Å; Y510-I514 HydrophobicContact CE1-CD1 3.62Å; Y510-I514 HydrophobicContact CE1-CG1 4.08Å; Y510-I514 WeakPolarHBondContact O-CG1 3.2Å; Y510-I514 PolarHBondContact O-N 3.27Å; E511-I514 PolarHBondContact O-N 2.89Å; Q512-I514 PolarHBondContact O-N 2.89Å; I514-D516 VanDerWaalsContact C-N 3.26Å; I514-D516 PolarHBondContact O-N 3.32Å; I514-V517 PolarHBondContact O-N 2.96Å; I514-H518 PolarHBondContact O-N 2.96Å; I514-L546 HydrophobicContact CD1-CB 4.12Å; I514-R547 HydrophobicContact CD1-CB 3.93Å; I514-R547 HydrophobicContact CD1-CG 4.4Å
515V77.5Confident80.7Confident40 Ų4045.1 Ų45.124%0.24223%0.227CC..Hα-helixtrans-62.4-32.6178.2165.20000112E511 Q512 W513 K519E511-V515 WeakPolarHBondContact O-CG2 3.39Å; E511-V515 PolarHBondContact O-N 2.99Å; Q512-V515 WeakPolarHBondContact O-CB 3.45Å; Q512-V515 PolarHBondContact O-N 2.62Å; Q512-V515 VanDerWaalsContact O-N 3.16Å; W513-V515 VanDerWaalsContact C-N 3.31Å; W513-V515 PolarHBondContact O-N 2.85Å; V515-K519 VanDerWaalsContact O-CG 3.31Å; V515-K519 WeakPolarHBondContact O-CG 3.22Å; V515-K519 PolarHBondContact O-N 3.37Å
516D79.5Confident80.2Confident69 Ų6946.9 Ų46.937%0.36924%0.236SC..Hα-helixtrans-80.2-34.9177.3-65.3-37.3000112.9Q512 W513 I514 K519 A520Q512-D516 VanDerWaalsContact NE2-CG 3.3Å; Q512-D516 PolarHBondContact NE2-OD1 3.39Å; Q512-D516 PolarHBondContact NE2-OD2 2.92Å; Q512-D516 PolarHBondContact O-N 3.1Å; Q512-D516 VanDerWaalsContact O-OD2 3.14Å; W513-D516 PolarHBondContact O-N 3.47Å; W513-D516 VanDerWaalsContact O-N 3.13Å; I514-D516 VanDerWaalsContact C-N 3.26Å; I514-D516 PolarHBondContact O-N 3.32Å; D516-K519 PolarHBondContact O-N 2.63Å; D516-K519 WeakPolarHBondContact OD1-CE 3.33Å; D516-K519 IonicContact OD1-NZ 3.31Å; D516-K519 PolarHBondContact OD1-NZ 3.47Å; D516-A520 PolarHBondContact O-N 2.98Å; D516-A520 VanDerWaalsContact O-N 3.14Å
517V80.9Confident79.9Confident4 Ų451.2 Ų51.22%0.02427%0.271CS..Hα-helixtrans-63.1-43.4168.6175.20000111L497 F498 W513 I514 K519 A520 C521 T543L497-V517 HydrophobicContact CB-CG2 4.34Å; F498-V517 HydrophobicContact CE2-CG1 4.05Å; F498-V517 HydrophobicContact CZ-CG1 3.84Å; W513-V517 HydrophobicContact CD2-CG2 4.17Å; W513-V517 HydrophobicContact CH2-CG2 4.48Å; W513-V517 HydrophobicContact CZ2-CG2 3.79Å; W513-V517 WeakPolarHBondContact O-CG2 2.49Å; W513-V517 PolarHBondContact O-N 3.4Å; I514-V517 PolarHBondContact O-N 2.96Å; V517-K519 VanDerWaalsContact C-N 3.35Å; V517-K519 PolarHBondContact O-N 3.3Å; V517-A520 PolarHBondContact O-N 3.5Å; V517-C521 PolarHBondContact O-N 3.17Å; V517-C521 PolarHBondContact O-SG 3.09Å; V517-T543 HydrophobicContact CB-CG2 4.42Å; V517-T543 HydrophobicContact CG1-CG2 3.82Å
518H75.8Confident80Confident39 Ų3953.9 Ų53.918%0.18128%0.283CS..Hα-helixtrans-54.3-48172.8-82.1173.4000111.9I514 A520 C521 M522 T543I514-H518 PolarHBondContact O-N 2.96Å; H518-A520 VanDerWaalsContact C-N 3.32Å; H518-A520 PolarHBondContact O-N 3.16Å; H518-C521 PolarHBondContact O-N 2.92Å; H518-M522 WeakPolarHBondContact O-CG 3.3Å; H518-M522 PolarHBondContact O-N 2.99Å; H518-T543 PolarHBondContact CD2-OG1 3.46Å
519K74.1Confident80Confident78 Ų7852 Ų5234%0.33927%0.273SS..Hα-helixtrans-59-42.5178.6-70.1165.2-164.11660112V515 D516 V517 M522 V523V515-K519 VanDerWaalsContact O-CG 3.31Å; V515-K519 WeakPolarHBondContact O-CG 3.22Å; V515-K519 PolarHBondContact O-N 3.37Å; D516-K519 PolarHBondContact O-N 2.63Å; D516-K519 WeakPolarHBondContact OD1-CE 3.33Å; D516-K519 IonicContact OD1-NZ 3.31Å; D516-K519 PolarHBondContact OD1-NZ 3.47Å; V517-K519 VanDerWaalsContact C-N 3.35Å; V517-K519 PolarHBondContact O-N 3.3Å; K519-M522 PolarHBondContact O-N 2.73Å; K519-V523 PolarHBondContact O-N 3.01Å
520A80.4Confident79.7Confident28 Ų2852.2 Ų52.223%0.23128%0.277CS..Hα-helixtrans-67.1-44.8178.500000111.9L497 D516 V517 H518 M522 V523 F524L497-A520 HydrophobicContact CD1-CB 3.49Å; L497-A520 VanDerWaalsContact CD1-CB 3.49Å; L497-A520 HydrophobicContact CD2-CB 4.41Å; D516-A520 PolarHBondContact O-N 2.98Å; D516-A520 VanDerWaalsContact O-N 3.14Å; V517-A520 PolarHBondContact O-N 3.5Å; H518-A520 VanDerWaalsContact C-N 3.32Å; H518-A520 PolarHBondContact O-N 3.16Å; A520-M522 PolarHBondContact O-N 3.44Å; A520-V523 PolarHBondContact O-N 3.46Å; A520-V523 VanDerWaalsContact O-N 3.12Å; A520-F524 PolarHBondContact O-N 3.41Å
521C76.9Confident79.6Confident6 Ų654.9 Ų54.94%0.04129%0.289CS..Hα-helixtrans-61.4-32.6175.4-61.80000112.4V517 H518 V523 C536V517-C521 PolarHBondContact O-N 3.17Å; V517-C521 PolarHBondContact O-SG 3.09Å; H518-C521 PolarHBondContact O-N 2.92Å; C521-V523 VanDerWaalsContact C-N 3.33Å; C521-V523 PolarHBondContact O-N 3.25Å; C521-C536 PolarHBondContact O-SG 3.28Å
522M72.3Confident79.5Confident19 Ų1953.3 Ų53.39%0.09428%0.282CS..Hα-helixtrans-66.8-27.3175.4-76.9-1797200113.8H518 K519 A520 K815 V894 R905H518-M522 WeakPolarHBondContact O-CG 3.3Å; H518-M522 PolarHBondContact O-N 2.99Å; K519-M522 PolarHBondContact O-N 2.73Å; A520-M522 PolarHBondContact O-N 3.44Å; M522-K815 WeakPolarHBondContact O-CE 3.46Å; M522-K815 PolarHBondContact O-NZ 2.96Å; M522-V894 HydrophobicContact CB-CG2 4.21Å; M522-V894 HydrophobicContact CE-CG2 4.15Å; M522-V894 WeakPolarHBondContact O-CG1 3.35Å; M522-V894 WeakPolarHBondContact O-CG2 3.36Å; M522-R905 HydrophobicContact CE-CG 3.93Å; M522-R905 VanDerWaalsContact SD-CD 3.59Å; M522-R905 HydrophobicContact SD-CG 4.41Å; M522-R905 PolarHBondContact SD-NE 3.16Å
523V77.1Confident79.5Confident52 Ų5250.6 Ų50.632%0.31527%0.273SS..Hα-helixtrans-109.5-0.6-179.4-59.20000114.1K519 A520 C521 R905K519-V523 PolarHBondContact O-N 3.01Å; A520-V523 PolarHBondContact O-N 3.46Å; A520-V523 VanDerWaalsContact O-N 3.12Å; C521-V523 VanDerWaalsContact C-N 3.33Å; C521-V523 PolarHBondContact O-N 3.25Å; V523-R905 HydrophobicContact CG1-CB 4.01Å
524F81Confident79.4Confident16 Ų1655.1 Ų55.17%0.0729%0.29CS..  trans-59.7141.4173.8177.5-114.3000111.6E493 L494 A520 M526 I535 K815E493-F524 HydrophobicContact CB-CE2 4.37Å; L494-F524 HydrophobicContact CD1-CB 4.01Å; L494-F524 HydrophobicContact CD1-CD1 3.68Å; L494-F524 HydrophobicContact CD1-CD2 3.97Å; L494-F524 HydrophobicContact CD1-CE1 4.09Å; L494-F524 HydrophobicContact CD1-CE2 4.38Å; L494-F524 HydrophobicContact CD1-CG 3.6Å; L494-F524 HydrophobicContact CD1-CZ 4.43Å; L494-F524 HydrophobicContact CD2-CB 4.08Å; L494-F524 HydrophobicContact CD2-CD2 3.77Å; L494-F524 HydrophobicContact CD2-CE2 4.46Å; L494-F524 HydrophobicContact CD2-CG 4Å; L494-F524 HydrophobicContact CG-CB 4.49Å; L494-F524 HydrophobicContact CG-CD1 4.39Å; L494-F524 HydrophobicContact CG-CD2 3.81Å; L494-F524 HydrophobicContact CG-CE2 4.09Å; L494-F524 HydrophobicContact CG-CG 3.97Å; L494-F524 HydrophobicContact CG-CZ 4.49Å; A520-F524 PolarHBondContact O-N 3.41Å; F524-M526 HydrophobicContact CE1-CG 3.6Å; F524-M526 HydrophobicContact CE1-SD 3.61Å; F524-M526 HydrophobicContact CZ-CG 3.55Å; F524-M526 HydrophobicContact CZ-SD 3.73Å; F524-I535 HydrophobicContact CD1-CG2 4.31Å; F524-I535 HydrophobicContact CE1-CG2 3.98Å; F524-K815 PolarHBondContact O-NZ 3.49Å
525Q80.2Confident79.5Confident74 Ų7455.3 Ų55.335%0.34629%0.291SS..  trans-131.3146.7-177.1-55.9-168.1-3.200112.1E532 G901 Q903Q525-E532 WeakPolarHBondContact CA-OE2 3.25Å; Q525-G901 PolarHBondContact NE2-O 3.29Å; Q525-Q903 HydrophobicContact CG-CB 4.48Å; Q525-Q903 HydrophobicContact CG-CG 4.41Å; Q525-Q903 VanDerWaalsContact NE2-CB 3.33Å
526M79.8Confident79.6Confident65 Ų6553.6 Ų53.632%0.3228%0.281SS..  trans-132.2166.7164.3-67.5178.564.700111.1F524 D528 K529 E531 E532 I535F524-M526 HydrophobicContact CE1-CG 3.6Å; F524-M526 HydrophobicContact CE1-SD 3.61Å; F524-M526 HydrophobicContact CZ-CG 3.55Å; F524-M526 HydrophobicContact CZ-SD 3.73Å; M526-D528 WeakPolarHBondContact CB-O 3.22Å; M526-K529 WeakPolarHBondContact O-CE 3.42Å; M526-K529 PolarHBondContact O-NZ 3.01Å; M526-E531 HydrophobicContact CE-CG 3.91Å; M526-E531 HydrophobicContact SD-CG 4.26Å; M526-E532 HydrophobicContact CB-CB 4.25Å; M526-E532 PolarHBondContact N-OE2 2.84Å; M526-I535 HydrophobicContact CE-CD1 4.42Å; M526-I535 HydrophobicContact SD-CD1 3.61Å
527A81.6Confident79.6Confident110 Ų11052.5 Ų52.591%0.90927%0.271SS*.SBendtrans-69.3-38.8170.500000111.2
528D85.6Confident79.7Confident88 Ų8852.7 Ų52.747%0.47127%0.273SS..  trans-80.8120.8168.4-172.5-34.2000109.7M526 E530 E531 E532M526-D528 WeakPolarHBondContact CB-O 3.22Å; D528-E530 PolarHBondContact OD1-N 2.99Å; D528-E531 HydrophobicContact CB-CB 4.02Å; D528-E531 PolarHBondContact OD1-N 3.01Å; D528-E532 WeakPolarHBondContact O-CB 3.32Å; D528-E532 PolarHBondContact O-N 2.74Å
529K77.9Confident80Confident96 Ų9650.9 Ų50.942%0.41726%0.264SS..Hα-helixtrans-90.1-19.6-178.5-63.7-48.7-165.9-166.80114.1M526 E532 S533M526-K529 WeakPolarHBondContact O-CE 3.42Å; M526-K529 PolarHBondContact O-NZ 3.01Å; K529-E532 VanDerWaalsContact CD-OE2 3.28Å; K529-E532 WeakPolarHBondContact CD-OE2 3.19Å; K529-E532 IonicContact NZ-OE2 3.17Å; K529-E532 PolarHBondContact NZ-OE2 3.33Å; K529-S533 WeakPolarHBondContact O-CB 3.45Å; K529-S533 PolarHBondContact O-N 3.01Å; K529-S533 VanDerWaalsContact O-N 3.11Å
530E78.1Confident80.3Confident167 Ų16749.5 Ų49.578%0.7826%0.258SS*.Hα-helixtrans-76.2-41.3173-63-169.3179.200109.6D528 S533 R534D528-E530 PolarHBondContact OD1-N 2.99Å; E530-S533 WeakPolarHBondContact O-CB 3.48Å; E530-S533 PolarHBondContact O-N 3.34Å; E530-R534 WeakPolarHBondContact O-CB 3.5Å; E530-R534 PolarHBondContact O-N 3.2Å
531E83.4Confident80.5Confident56 Ų5648.4 Ų48.426%0.26225%0.249SC..Hα-helixtrans-69.7-37.7173.7-174.460.9-175.900112.4M526 D528 S533 R534 I535M526-E531 HydrophobicContact CE-CG 3.91Å; M526-E531 HydrophobicContact SD-CG 4.26Å; D528-E531 HydrophobicContact CB-CB 4.02Å; D528-E531 PolarHBondContact OD1-N 3.01Å; E531-S533 VanDerWaalsContact C-N 3.33Å; E531-S533 PolarHBondContact O-N 2.92Å; E531-R534 PolarHBondContact O-N 3.35Å; E531-R534 IonicContact OE1-CZ 2.69Å; E531-R534 IonicContact OE1-NE 3.64Å; E531-R534 IonicContact OE1-NH2 3.04Å; E531-R534 PolarHBondContact OE1-NH2 3.33Å; E531-R534 IonicContact OE2-CZ 2.65Å; E531-R534 IonicContact OE2-NE 2.67Å; E531-R534 PolarHBondContact OE2-NE 2.9Å; E531-R534 IonicContact OE2-NH2 2.62Å; E531-R534 PolarHBondContact OE2-NH2 2.82Å; E531-I535 HydrophobicContact CG-CD1 3.83Å; E531-I535 HydrophobicContact CG-CG1 4.35Å; E531-I535 WeakPolarHBondContact O-CB 3.34Å; E531-I535 WeakPolarHBondContact O-CG1 3.48Å; E531-I535 PolarHBondContact O-N 3.09Å; E531-I535 WeakPolarHBondContact OE1-CD1 3.28Å
532E80.5Confident81Confident2 Ų249.1 Ų49.11%0.00925%0.251CS..Hα-helixtrans-55.7-48.5169.1-171.9-174.7129.600111Q525 M526 D528 K529 C536 K815 Q903Q525-E532 WeakPolarHBondContact CA-OE2 3.25Å; M526-E532 HydrophobicContact CB-CB 4.25Å; M526-E532 PolarHBondContact N-OE2 2.84Å; D528-E532 WeakPolarHBondContact O-CB 3.32Å; D528-E532 PolarHBondContact O-N 2.74Å; K529-E532 VanDerWaalsContact CD-OE2 3.28Å; K529-E532 WeakPolarHBondContact CD-OE2 3.19Å; K529-E532 IonicContact NZ-OE2 3.17Å; K529-E532 PolarHBondContact NZ-OE2 3.33Å; E532-C536 VanDerWaalsContact O-CB 3.32Å; E532-C536 WeakPolarHBondContact O-CB 3.42Å; E532-C536 PolarHBondContact O-N 2.62Å; E532-C536 PolarHBondContact O-SG 3.12Å; E532-K815 HydrophobicContact CG-CG 4.27Å; E532-K815 WeakPolarHBondContact OE1-CG 3.1Å; E532-K815 IonicContact OE1-NZ 2.74Å; E532-K815 PolarHBondContact OE1-NZ 3.12Å; E532-Q903 PolarHBondContact OE1-NE2 3.41Å; E532-Q903 VanDerWaalsContact OE1-NE2 3.14Å
533S79.1Confident81.6Confident34 Ų3448.2 Ų48.224%0.23825%0.246CC..Hα-helixtrans-59.6-46.7177174.60000112K529 E530 E531 R537 C814K529-S533 WeakPolarHBondContact O-CB 3.45Å; K529-S533 PolarHBondContact O-N 3.01Å; K529-S533 VanDerWaalsContact O-N 3.11Å; E530-S533 WeakPolarHBondContact O-CB 3.48Å; E530-S533 PolarHBondContact O-N 3.34Å; E531-S533 VanDerWaalsContact C-N 3.33Å; E531-S533 PolarHBondContact O-N 2.92Å; S533-R537 WeakPolarHBondContact O-CB 3.25Å; S533-R537 PolarHBondContact O-N 3.25Å; S533-C814 WeakPolarHBondContact CB-O 3.25Å; S533-C814 PolarHBondContact OG-O 3.39Å
534R83.8Confident81.9Confident114 Ų11447.1 Ų47.143%0.4324%0.241SC..Hα-helixtrans-61.3-50.3179.2-164.8-171.671.184.95.4111.5E530 E531 R537 V538E530-R534 WeakPolarHBondContact O-CB 3.5Å; E530-R534 PolarHBondContact O-N 3.2Å; E531-R534 PolarHBondContact O-N 3.35Å; E531-R534 IonicContact OE1-CZ 2.69Å; E531-R534 IonicContact OE1-NE 3.64Å; E531-R534 IonicContact OE1-NH2 3.04Å; E531-R534 PolarHBondContact OE1-NH2 3.33Å; E531-R534 IonicContact OE2-CZ 2.65Å; E531-R534 IonicContact OE2-NE 2.67Å; E531-R534 PolarHBondContact OE2-NE 2.9Å; E531-R534 IonicContact OE2-NH2 2.62Å; E531-R534 PolarHBondContact OE2-NH2 2.82Å; R534-R537 PolarHBondContact O-N 3.14Å; R534-V538 WeakPolarHBondContact O-CB 3.41Å; R534-V538 VanDerWaalsContact O-CG2 3.31Å; R534-V538 WeakPolarHBondContact O-CG2 3.36Å; R534-V538 PolarHBondContact O-N 3.24Å
535I84.1Confident82.3Confident5 Ų546.5 Ų46.53%0.02624%0.238CC..Hα-helixtrans-62.4-49.1-179.4-72.6174.3000111.2V490 L494 F524 M526 E531 R537 V538 L539V490-I535 HydrophobicContact CG1-CB 4.22Å; V490-I535 HydrophobicContact CG1-CG1 3.95Å; V490-I535 HydrophobicContact CG1-CG2 4.02Å; L494-I535 HydrophobicContact CD1-CG2 4.1Å; F524-I535 HydrophobicContact CD1-CG2 4.31Å; F524-I535 HydrophobicContact CE1-CG2 3.98Å; M526-I535 HydrophobicContact CE-CD1 4.42Å; M526-I535 HydrophobicContact SD-CD1 3.61Å; E531-I535 HydrophobicContact CG-CD1 3.83Å; E531-I535 HydrophobicContact CG-CG1 4.35Å; E531-I535 WeakPolarHBondContact O-CB 3.34Å; E531-I535 WeakPolarHBondContact O-CG1 3.48Å; E531-I535 PolarHBondContact O-N 3.09Å; E531-I535 WeakPolarHBondContact OE1-CD1 3.28Å; I535-R537 VanDerWaalsContact C-N 3.32Å; I535-R537 PolarHBondContact O-N 3.39Å; I535-V538 PolarHBondContact O-N 3.01Å; I535-L539 HydrophobicContact CG2-CD1 3.77Å; I535-L539 WeakPolarHBondContact O-CB 3.16Å; I535-L539 WeakPolarHBondContact O-CG 3.4Å; I535-L539 PolarHBondContact O-N 3.07Å
536C79.9Confident82.8Confident4 Ų443 Ų433%0.02722%0.222CC..Hα-helixtrans-60.7-41.1178.6-70.40000111.9C521 E532 F540 K815C521-C536 PolarHBondContact O-SG 3.28Å; E532-C536 VanDerWaalsContact O-CB 3.32Å; E532-C536 WeakPolarHBondContact O-CB 3.42Å; E532-C536 PolarHBondContact O-N 2.62Å; E532-C536 PolarHBondContact O-SG 3.12Å; C536-F540 WeakPolarHBondContact O-CB 3.4Å; C536-F540 PolarHBondContact O-N 3.21Å; C536-F540 VanDerWaalsContact O-N 3.08Å; C536-K815 HydrophobicContact CB-CG 4.45Å; C536-K815 VanDerWaalsContact SG-CE 3.57Å
537R79Confident83.1Confident45 Ų4544.3 Ų44.317%0.1722%0.223CC..Hα-helixtrans-65.1-49.1178.8-170.3175.277.685.712.2111.8S533 R534 I535 F540 L541 D581 K813 N869S533-R537 WeakPolarHBondContact O-CB 3.25Å; S533-R537 PolarHBondContact O-N 3.25Å; R534-R537 PolarHBondContact O-N 3.14Å; I535-R537 VanDerWaalsContact C-N 3.32Å; I535-R537 PolarHBondContact O-N 3.39Å; R537-F540 PolarHBondContact O-N 3.02Å; R537-L541 WeakPolarHBondContact O-CG 3.19Å; R537-L541 PolarHBondContact O-N 3.07Å; R537-D581 IonicContact CZ-OD2 2.78Å; R537-D581 VanDerWaalsContact CZ-OD2 3.31Å; R537-D581 IonicContact NH1-OD2 3.15Å; R537-D581 PolarHBondContact NH1-OD2 3.35Å; R537-D581 IonicContact NH2-OD2 3.44Å; R537-D581 PolarHBondContact NH2-OD2 3.18Å; R537-K813 WeakPolarHBondContact CA-O 3.4Å; R537-K813 PolarHBondContact N-O 3.08Å; R537-N869 PolarHBondContact NH1-O 3.17Å
538V83.3Confident83.5Confident8 Ų841.9 Ų41.95%0.04819%0.192CC..Hα-helixtrans-64-43.4179.5167.70000111.5V490 R534 I535 F540 L541 Y542 T583V490-V538 HydrophobicContact CG1-CG1 4.22Å; V490-V538 HydrophobicContact CG2-CG1 3.86Å; R534-V538 WeakPolarHBondContact O-CB 3.41Å; R534-V538 VanDerWaalsContact O-CG2 3.31Å; R534-V538 WeakPolarHBondContact O-CG2 3.36Å; R534-V538 PolarHBondContact O-N 3.24Å; I535-V538 PolarHBondContact O-N 3.01Å; V538-F540 VanDerWaalsContact C-N 3.35Å; V538-F540 PolarHBondContact O-N 3.27Å; V538-L541 WeakPolarHBondContact O-CB 3.4Å; V538-L541 PolarHBondContact O-N 2.76Å; V538-Y542 HydrophobicContact CG1-CD2 3.86Å; V538-Y542 HydrophobicContact CG1-CE2 3.35Å; V538-Y542 WeakPolarHBondContact O-CD2 3.49Å; V538-Y542 PolarHBondContact O-N 3Å; V538-Y542 VanDerWaalsContact O-N 3.15Å; V538-T583 HydrophobicContact CG1-CG2 4.36Å
539L82.4Confident83.9Confident1 Ų137.8 Ų37.81%0.00517%0.17CC..Hα-helixtrans-64.6-37.3177.1-74.3172.2000112.7A487 V490 L494 F498 I535 L541 Y542 T543A487-L539 HydrophobicContact CB-CD2 3.96Å; A487-L539 WeakPolarHBondContact O-CD2 3.32Å; V490-L539 HydrophobicContact CB-CD2 4.05Å; V490-L539 HydrophobicContact CB-CG 4.25Å; V490-L539 HydrophobicContact CG1-CG 4.16Å; V490-L539 HydrophobicContact CG2-CD2 4.08Å; L494-L539 HydrophobicContact CB-CD1 4.06Å; L494-L539 HydrophobicContact CD1-CD1 3.3Å; L494-L539 HydrophobicContact CG-CD1 4.33Å; F498-L539 HydrophobicContact CE2-CD2 4.3Å; F498-L539 HydrophobicContact CZ-CD2 4.34Å; I535-L539 HydrophobicContact CG2-CD1 3.77Å; I535-L539 WeakPolarHBondContact O-CB 3.16Å; I535-L539 WeakPolarHBondContact O-CG 3.4Å; I535-L539 PolarHBondContact O-N 3.07Å; L539-L541 VanDerWaalsContact C-N 3.3Å; L539-L541 PolarHBondContact O-N 2.88Å; L539-Y542 PolarHBondContact O-N 3.33Å; L539-T543 WeakPolarHBondContact O-CB 3.39Å; L539-T543 PolarHBondContact O-N 2.94Å; L539-T543 PolarHBondContact O-OG1 3.04Å
540F80.9Confident84.5Confident49 Ų4933.2 Ų33.222%0.21515%0.15CC..Hα-helixtrans-62.4-35.2174.1-174.9-83.3000112.5C536 R537 V538 T543 S544 K813C536-F540 WeakPolarHBondContact O-CB 3.4Å; C536-F540 PolarHBondContact O-N 3.21Å; C536-F540 VanDerWaalsContact O-N 3.08Å; R537-F540 PolarHBondContact O-N 3.02Å; V538-F540 VanDerWaalsContact C-N 3.35Å; V538-F540 PolarHBondContact O-N 3.27Å; F540-T543 WeakPolarHBondContact CA-OG1 3.33Å; F540-T543 PolarHBondContact O-OG1 2.83Å; F540-S544 VanDerWaalsContact O-CB 3.28Å; F540-S544 WeakPolarHBondContact O-CB 3.49Å; F540-S544 PolarHBondContact O-N 2.82Å; F540-S544 PolarHBondContact O-OG 2.84Å; F540-K813 HydrophobicContact CB-CG 4.36Å; F540-K813 HydrophobicContact CD1-CD 3.79Å; F540-K813 HydrophobicContact CD1-CG 3.91Å; F540-K813 HydrophobicContact CE1-CD 3.98Å; F540-K813 HydrophobicContact CE1-CG 4.4Å; F540-K813 HydrophobicContact CG-CD 4.42Å; F540-K813 HydrophobicContact CG-CG 4.04Å
541L83.1Confident84.9Confident5 Ų526.8 Ų26.83%0.02612%0.121CC..Hα-helixtrans-65.9-55.5174.5-65.5174.2000110.9R537 V538 L539 T543 S544 H545 T583 E584R537-L541 WeakPolarHBondContact O-CG 3.19Å; R537-L541 PolarHBondContact O-N 3.07Å; V538-L541 WeakPolarHBondContact O-CB 3.4Å; V538-L541 PolarHBondContact O-N 2.76Å; L539-L541 VanDerWaalsContact C-N 3.3Å; L539-L541 PolarHBondContact O-N 2.88Å; L541-T543 VanDerWaalsContact C-N 3.31Å; L541-T543 PolarHBondContact O-N 3.17Å; L541-S544 WeakPolarHBondContact O-CB 3.48Å; L541-S544 PolarHBondContact O-N 3.36Å; L541-H545 PolarHBondContact O-CD2 2.93Å; L541-H545 VanDerWaalsContact O-CD2 3.27Å; L541-H545 PolarHBondContact O-N 3.31Å; L541-T583 HydrophobicContact CB-CG2 4.36Å; L541-T583 HydrophobicContact CD1-CG2 4.12Å; L541-E584 HydrophobicContact CD1-CG 4.09Å; L541-E584 HydrophobicContact CD2-CG 4.02Å; L541-E584 WeakPolarHBondContact CD2-OE1 3.32Å
542Y87.8Confident85.3Confident21 Ų2124.1 Ų24.18%0.08211%0.109CC..Hα-helixtrans-54-46.8178.7-69.8-49.2000112.6T483 L486 A487 V490 V538 L539 S544 H545 L546 T583 L587T483-Y542 HydrophobicContact CG2-CD1 3.87Å; T483-Y542 HydrophobicContact CG2-CG 4.38Å; L486-Y542 HydrophobicContact CB-CD1 4.44Å; L486-Y542 HydrophobicContact CB-CE1 3.77Å; L486-Y542 HydrophobicContact CB-CE2 4.26Å; L486-Y542 HydrophobicContact CD1-CE1 4.03Å; A487-Y542 HydrophobicContact CB-CD2 3.75Å; A487-Y542 HydrophobicContact CB-CG 3.97Å; V490-Y542 HydrophobicContact CG2-CD2 4.18Å; V490-Y542 HydrophobicContact CG2-CE2 3.66Å; V538-Y542 HydrophobicContact CG1-CD2 3.86Å; V538-Y542 HydrophobicContact CG1-CE2 3.35Å; V538-Y542 WeakPolarHBondContact O-CD2 3.49Å; V538-Y542 PolarHBondContact O-N 3Å; V538-Y542 VanDerWaalsContact O-N 3.15Å; L539-Y542 PolarHBondContact O-N 3.33Å; Y542-S544 VanDerWaalsContact C-N 3.33Å; Y542-S544 PolarHBondContact O-N 2.9Å; Y542-H545 PolarHBondContact O-N 3.24Å; Y542-L546 VanDerWaalsContact O-CG 3.31Å; Y542-L546 WeakPolarHBondContact O-CG 3.39Å; Y542-L546 PolarHBondContact O-N 2.94Å; Y542-T583 HydrophobicContact CD1-CG2 4.42Å; Y542-T583 HydrophobicContact CE1-CG2 3.84Å; Y542-T583 HydrophobicContact CE2-CG2 4.43Å; Y542-L587 HydrophobicContact CD1-CD1 3.69Å; Y542-L587 HydrophobicContact CD1-CD2 3.83Å; Y542-L587 HydrophobicContact CD1-CG 4.15Å; Y542-L587 HydrophobicContact CE1-CD1 3.93Å; Y542-L587 HydrophobicContact CE1-CD2 3.87Å; Y542-L587 HydrophobicContact CE1-CG 4.03Å
543T84.3Confident85.9Confident0 Ų024.2 Ų24.20%011%0.109CC..Hα-helixtrans-69.1-28.4179.743.90000113.5F498 V517 H518 L539 F540 L541 R547F498-T543 HydrophobicContact CZ-CG2 4.3Å; V517-T543 HydrophobicContact CB-CG2 4.42Å; V517-T543 HydrophobicContact CG1-CG2 3.82Å; H518-T543 PolarHBondContact CD2-OG1 3.46Å; L539-T543 WeakPolarHBondContact O-CB 3.39Å; L539-T543 PolarHBondContact O-N 2.94Å; L539-T543 PolarHBondContact O-OG1 3.04Å; F540-T543 WeakPolarHBondContact CA-OG1 3.33Å; F540-T543 PolarHBondContact O-OG1 2.83Å; L541-T543 VanDerWaalsContact C-N 3.31Å; L541-T543 PolarHBondContact O-N 3.17Å; T543-R547 PolarHBondContact O-N 3.08Å; T543-R547 VanDerWaalsContact O-N 3.14Å
544S83.4Confident86.3Confident29 Ų2924.7 Ų24.720%0.20311%0.109CC..Hα-helixtrans-69-42.7170.4-64.40000112.5F540 L541 Y542 R547 K548F540-S544 VanDerWaalsContact O-CB 3.28Å; F540-S544 WeakPolarHBondContact O-CB 3.49Å; F540-S544 PolarHBondContact O-N 2.82Å; F540-S544 PolarHBondContact O-OG 2.84Å; L541-S544 WeakPolarHBondContact O-CB 3.48Å; L541-S544 PolarHBondContact O-N 3.36Å; Y542-S544 VanDerWaalsContact C-N 3.33Å; Y542-S544 PolarHBondContact O-N 2.9Å; S544-R547 WeakPolarHBondContact O-CB 3.35Å; S544-R547 PolarHBondContact O-N 2.75Å; S544-K548 PolarHBondContact O-N 2.84Å
545H89.5Confident86.5Confident4 Ų419.8 Ų19.82%0.0199%0.091CC..Hα-helixtrans-66.4-41174.8-75.9-121000111.6L541 Y542 R547 K548 Y549 F571 F572 L587L541-H545 PolarHBondContact O-CD2 2.93Å; L541-H545 VanDerWaalsContact O-CD2 3.27Å; L541-H545 PolarHBondContact O-N 3.31Å; Y542-H545 PolarHBondContact O-N 3.24Å; H545-R547 PolarHBondContact O-N 3.11Å; H545-K548 PolarHBondContact O-N 2.88Å; H545-K548 VanDerWaalsContact O-N 3.09Å; H545-Y549 HydrophobicContact CB-CE2 4.47Å; H545-Y549 VanDerWaalsContact O-CD2 3.31Å; H545-Y549 WeakPolarHBondContact O-CD2 3.48Å; H545-Y549 PolarHBondContact O-N 2.9Å; H545-F571 AromaticContact CD2-CZ 3.78Å; H545-F571 AromaticContact CE1-CE1 3.8Å; H545-F571 AromaticContact CE1-CZ 3.81Å; H545-F571 AromaticContact CG-CE1 3.97Å; H545-F571 AromaticContact ND1-CE1 3.7Å; H545-F571 AromaticContact NE2-CZ 3.65Å; H545-F572 AromaticContact CE1-CE1 3.62Å; H545-F572 AromaticContact ND1-CE1 3.6Å; H545-F572 AromaticContact ND1-CZ 3.69Å; H545-L587 HydrophobicContact CB-CD1 4.41Å
546L91.1Very high87Confident0 Ų019.6 Ų19.60%09%0.09CC..Hα-helixtrans-57.2-36.3172.8-73.5174.9000112.7M480 T483 E484 Y510 W513 I514 Y542 N550M480-L546 HydrophobicContact CB-CD2 3.88Å; M480-L546 HydrophobicContact CE-CD2 4.45Å; M480-L546 HydrophobicContact CG-CD2 4.03Å; M480-L546 WeakPolarHBondContact O-CD2 3.4Å; T483-L546 HydrophobicContact CG2-CD1 4.32Å; T483-L546 HydrophobicContact CG2-CD2 3.83Å; T483-L546 HydrophobicContact CG2-CG 3.71Å; E484-L546 HydrophobicContact CG-CD1 3.77Å; E484-L546 HydrophobicContact CG-CD2 4.1Å; Y510-L546 HydrophobicContact CE1-CB 4.32Å; W513-L546 HydrophobicContact CH2-CD1 4.39Å; W513-L546 HydrophobicContact CZ3-CD1 4.35Å; I514-L546 HydrophobicContact CD1-CB 4.12Å; Y542-L546 VanDerWaalsContact O-CG 3.31Å; Y542-L546 WeakPolarHBondContact O-CG 3.39Å; Y542-L546 PolarHBondContact O-N 2.94Å; L546-N550 WeakPolarHBondContact O-CB 3.38Å; L546-N550 PolarHBondContact O-N 2.92Å
547R87.1Confident87.5Confident92 Ų9221.7 Ų21.735%0.34710%0.099SC..Hα-helixtrans-64.8-46.2173.9-163.3178.3-172.8174.91.8111.3E511 I514 T543 S544 H545 Y549 N550 D551E511-R547 IonicContact OE1-CZ 2.64Å; E511-R547 IonicContact OE1-NE 2.9Å; E511-R547 PolarHBondContact OE1-NE 3.35Å; E511-R547 IonicContact OE1-NH2 3.91Å; E511-R547 PolarHBondContact OE1-NH2 2.81Å; I514-R547 HydrophobicContact CD1-CB 3.93Å; I514-R547 HydrophobicContact CD1-CG 4.4Å; T543-R547 PolarHBondContact O-N 3.08Å; T543-R547 VanDerWaalsContact O-N 3.14Å; S544-R547 WeakPolarHBondContact O-CB 3.35Å; S544-R547 PolarHBondContact O-N 2.75Å; H545-R547 PolarHBondContact O-N 3.11Å; R547-Y549 PolarHBondContact O-N 2.9Å; R547-N550 WeakPolarHBondContact O-CB 3.37Å; R547-N550 PolarHBondContact O-N 2.9Å; R547-N550 VanDerWaalsContact O-N 3.1Å; R547-D551 PolarHBondContact O-N 3.29Å
548K88.4Confident88.1Confident59 Ų5920 Ų2026%0.2579%0.094SC..Hα-helixtrans-62.5-39.6179-71.2-69.3-170.8171.30113.1S544 H545 A552 Y567 L568 F571S544-K548 PolarHBondContact O-N 2.84Å; H545-K548 PolarHBondContact O-N 2.88Å; H545-K548 VanDerWaalsContact O-N 3.09Å; K548-A552 WeakPolarHBondContact O-CB 3.49Å; K548-A552 PolarHBondContact O-N 2.98Å; K548-Y567 HydrophobicContact CD-CE1 3.74Å; K548-Y567 WeakPolarHBondContact CD-OH 3.5Å; K548-Y567 PolarHBondContact NZ-OH 3Å; K548-L568 HydrophobicContact CB-CD2 4.38Å; K548-F571 HydrophobicContact CB-CD1 3.83Å; K548-F571 HydrophobicContact CB-CE1 3.92Å; K548-F571 HydrophobicContact CB-CG 4.26Å; K548-F571 HydrophobicContact CB-CZ 4.44Å; K548-F571 HydrophobicContact CD-CB 4.26Å; K548-F571 HydrophobicContact CD-CD1 4.33Å; K548-F571 HydrophobicContact CD-CD2 3.97Å; K548-F571 HydrophobicContact CD-CE2 4.45Å; K548-F571 HydrophobicContact CD-CG 3.9Å; K548-F571 HydrophobicContact CG-CD1 3.76Å; K548-F571 HydrophobicContact CG-CD2 3.82Å; K548-F571 HydrophobicContact CG-CE1 3.8Å; K548-F571 HydrophobicContact CG-CE2 3.87Å; K548-F571 HydrophobicContact CG-CG 3.76Å; K548-F571 HydrophobicContact CG-CZ 3.86Å
549Y94.4Very high88.5Confident2 Ų219.6 Ų19.61%0.0089%0.091CC..Hα-helixtrans-64.9-41.4170.8-67.8-48.2000112.5I476 L479 M480 H545 R547 A552 L553 L568 F572 F591I476-Y549 HydrophobicContact CD1-CD1 4.32Å; I476-Y549 HydrophobicContact CG2-CD1 3.93Å; I476-Y549 HydrophobicContact CG2-CG 4.14Å; L479-Y549 HydrophobicContact CB-CE1 4.32Å; L479-Y549 HydrophobicContact CB-CE2 4.12Å; L479-Y549 HydrophobicContact CD1-CE1 3.96Å; M480-Y549 VanDerWaalsContact CG-CB 3.41Å; M480-Y549 HydrophobicContact CG-CD2 3.89Å; M480-Y549 HydrophobicContact CG-CG 3.93Å; H545-Y549 HydrophobicContact CB-CE2 4.47Å; H545-Y549 VanDerWaalsContact O-CD2 3.31Å; H545-Y549 WeakPolarHBondContact O-CD2 3.48Å; H545-Y549 PolarHBondContact O-N 2.9Å; R547-Y549 PolarHBondContact O-N 2.9Å; Y549-A552 PolarHBondContact O-N 3.38Å; Y549-L553 WeakPolarHBondContact O-CG 3.4Å; Y549-L553 PolarHBondContact O-N 2.67Å; Y549-L568 HydrophobicContact CD1-CD1 4.11Å; Y549-L568 HydrophobicContact CD1-CD2 3.86Å; Y549-L568 HydrophobicContact CE1-CD1 4.38Å; Y549-L568 HydrophobicContact CE1-CD2 4.29Å; Y549-F572 HydrophobicContact CE1-CE2 4.15Å; Y549-F572 HydrophobicContact CE1-CZ 4.41Å; Y549-F591 HydrophobicContact CE1-CD2 4.18Å
550N91.1Very high89Confident0 Ų022.2 Ų22.20%010%0.104CC..Hα-helixtrans-62.5-43.2175.8-176.679000112.6M480 G506 T507 Y510 L546 R547 L553 I554M480-N550 HydrophobicContact CE-CB 3.98Å; G506-N550 VanDerWaalsContact CA-OD1 3.25Å; G506-N550 WeakPolarHBondContact CA-OD1 3.36Å; G506-N550 PolarHBondContact N-OD1 3.1Å; T507-N550 PolarHBondContact N-OD1 2.92Å; T507-N550 PolarHBondContact O-ND2 3.11Å; T507-N550 PolarHBondContact O-OD1 3.1Å; Y510-N550 WeakPolarHBondContact CB-OD1 3.43Å; Y510-N550 HydrophobicContact CD1-CB 3.86Å; Y510-N550 WeakPolarHBondContact CD1-OD1 3.49Å; Y510-N550 HydrophobicContact CE1-CB 4.35Å; L546-N550 WeakPolarHBondContact O-CB 3.38Å; L546-N550 PolarHBondContact O-N 2.92Å; R547-N550 WeakPolarHBondContact O-CB 3.37Å; R547-N550 PolarHBondContact O-N 2.9Å; R547-N550 VanDerWaalsContact O-N 3.1Å; N550-L553 PolarHBondContact O-N 3.13Å; N550-I554 WeakPolarHBondContact O-CG1 3.44Å; N550-I554 PolarHBondContact O-N 2.91Å; N550-I554 VanDerWaalsContact O-N 3.12Å
551D86.1Confident89.6Confident32 Ų3220.1 Ų20.117%0.17110%0.095CC..Hα-helixtrans-58.9-46.8173.9-59.7-21000110.8R547 L553 I554 I555 Y567R547-D551 PolarHBondContact O-N 3.29Å; D551-L553 VanDerWaalsContact C-N 3.31Å; D551-L553 PolarHBondContact O-N 3.2Å; D551-I554 WeakPolarHBondContact O-CB 3.37Å; D551-I554 PolarHBondContact O-N 3.43Å; D551-I554 VanDerWaalsContact O-N 3.1Å; D551-I555 WeakPolarHBondContact O-CG1 3.48Å; D551-I555 PolarHBondContact O-N 3.44Å; D551-Y567 HydrophobicContact CB-CD1 4.42Å; D551-Y567 HydrophobicContact CB-CE1 3.52Å; D551-Y567 PolarHBondContact OD2-OH 3Å
552A91.9Very high90.1Very high0 Ų022.6 Ų22.60%011%0.105CC..Hα-helixtrans-62.9-35.6179.100000112.4K548 Y549 I555 S556 A564 Y567 L568K548-A552 WeakPolarHBondContact O-CB 3.49Å; K548-A552 PolarHBondContact O-N 2.98Å; Y549-A552 PolarHBondContact O-N 3.38Å; A552-I555 PolarHBondContact O-N 3.23Å; A552-S556 VanDerWaalsContact O-CB 3.29Å; A552-S556 WeakPolarHBondContact O-CB 3.35Å; A552-S556 PolarHBondContact O-N 2.81Å; A552-A564 HydrophobicContact CB-CB 4.3Å; A552-A564 WeakPolarHBondContact O-CB 3.25Å; A552-Y567 HydrophobicContact CB-CD1 4.3Å; A552-L568 HydrophobicContact CB-CD1 3.73Å; A552-L568 HydrophobicContact CB-CD2 3.81Å; A552-L568 HydrophobicContact CB-CG 3.64Å
553L92.6Very high90.2Very high5 Ų522.2 Ų22.23%0.02611%0.105CC..Hα-helixtrans-65.5-38.5172.1-71.8-180000112.6K473 I476 M480 F505 Y549 N550 D551 S556 E557K473-L553 HydrophobicContact CB-CD2 3.88Å; K473-L553 HydrophobicContact CG-CD2 3.78Å; I476-L553 HydrophobicContact CB-CD2 3.82Å; I476-L553 HydrophobicContact CB-CG 4.32Å; I476-L553 HydrophobicContact CG2-CD1 4.21Å; I476-L553 HydrophobicContact CG2-CD2 3.85Å; I476-L553 HydrophobicContact CG2-CG 3.77Å; M480-L553 HydrophobicContact SD-CD1 3.66Å; F505-L553 HydrophobicContact CB-CD1 3.5Å; Y549-L553 WeakPolarHBondContact O-CG 3.4Å; Y549-L553 PolarHBondContact O-N 2.67Å; N550-L553 PolarHBondContact O-N 3.13Å; D551-L553 VanDerWaalsContact C-N 3.31Å; D551-L553 PolarHBondContact O-N 3.2Å; L553-S556 PolarHBondContact O-N 3.14Å; L553-E557 WeakPolarHBondContact O-CB 3.24Å; L553-E557 PolarHBondContact O-N 2.67Å
554I87.6Confident90.6Very high44 Ų4422.2 Ų22.223%0.22611%0.105CC..Hα-helixtrans-66.6-42175.6-66.7165.1000110.5G506 N550 D551 E557 D558G506-I554 WeakPolarHBondContact O-CG1 3.42Å; N550-I554 WeakPolarHBondContact O-CG1 3.44Å; N550-I554 PolarHBondContact O-N 2.91Å; N550-I554 VanDerWaalsContact O-N 3.12Å; D551-I554 WeakPolarHBondContact O-CB 3.37Å; D551-I554 PolarHBondContact O-N 3.43Å; D551-I554 VanDerWaalsContact O-N 3.1Å; I554-E557 PolarHBondContact O-N 2.81Å; I554-D558 PolarHBondContact O-N 3.47Å
555I89.4Confident91.2Very high10 Ų1021 Ų215%0.05110%0.096CC..Hα-helixtrans-62.6-45.3173.8-63.7163.9000110.3D551 A552 E557 D558 A559 D563 A564 Y567 A639D551-I555 WeakPolarHBondContact O-CG1 3.48Å; D551-I555 PolarHBondContact O-N 3.44Å; A552-I555 PolarHBondContact O-N 3.23Å; I555-E557 VanDerWaalsContact C-N 3.35Å; I555-E557 PolarHBondContact O-N 2.92Å; I555-D558 PolarHBondContact O-N 3.02Å; I555-A559 HydrophobicContact CG2-CB 4.37Å; I555-A559 WeakPolarHBondContact O-CA 3.45Å; I555-A559 WeakPolarHBondContact O-CB 3.3Å; I555-A559 PolarHBondContact O-N 2.84Å; I555-D563 HydrophobicContact CG2-CB 3.84Å; I555-A564 HydrophobicContact CB-CB 4.14Å; I555-A564 HydrophobicContact CG2-CB 4.02Å; I555-Y567 HydrophobicContact CD1-CD1 4.02Å; I555-Y567 HydrophobicContact CD1-CD2 4.09Å; I555-Y567 HydrophobicContact CD1-CG 3.76Å; I555-A639 HydrophobicContact CD1-CB 3.91Å; I555-A639 HydrophobicContact CG1-CB 4.07Å
556S93Very high91.3Very high1 Ų123.7 Ų23.71%0.00711%0.11CC..Hα-helixtrans-62.2-39.7179.6177.90000112.6R467 F472 A552 L553R467-S556 PolarHBondContact NH1-O 2.82Å; R467-S556 PolarHBondContact NH2-O 3.42Å; F472-S556 WeakPolarHBondContact CD1-OG 3.46Å; A552-S556 VanDerWaalsContact O-CB 3.29Å; A552-S556 WeakPolarHBondContact O-CB 3.35Å; A552-S556 PolarHBondContact O-N 2.81Å; L553-S556 PolarHBondContact O-N 3.14Å
557E91.6Very high91.1Very high48 Ų4826.8 Ų26.822%0.22412%0.122CC..Hα-helixtrans-64.8-40.1179.5-177.354.3-138.300112.3S466 L553 I554 I555 N609 K611S466-E557 WeakPolarHBondContact CB-OE1 3.41Å; S466-E557 PolarHBondContact OG-OE1 3.09Å; L553-E557 WeakPolarHBondContact O-CB 3.24Å; L553-E557 PolarHBondContact O-N 2.67Å; I554-E557 PolarHBondContact O-N 2.81Å; I555-E557 VanDerWaalsContact C-N 3.35Å; I555-E557 PolarHBondContact O-N 2.92Å; E557-N609 PolarHBondContact O-ND2 2.78Å; E557-K611 PolarHBondContact O-NZ 3.16Å; E557-K611 IonicContact OE1-NZ 2.68Å; E557-K611 PolarHBondContact OE1-NZ 2.81Å
558D91.1Very high91.4Very high10 Ų1022.4 Ų22.45%0.05311%0.106CC..Hα-helixtrans-105.2-8.1-174.2-74.3-7.3000114.5I554 I555 K611 L640 Y716I554-D558 PolarHBondContact O-N 3.47Å; I555-D558 PolarHBondContact O-N 3.02Å; D558-K611 IonicContact OD1-NZ 3.41Å; D558-K611 PolarHBondContact OD1-NZ 3.19Å; D558-L640 HydrophobicContact CB-CD1 3.83Å; D558-L640 HydrophobicContact CB-CD2 3.7Å; D558-L640 HydrophobicContact CB-CG 4.44Å; D558-Y716 HydrophobicContact CB-CE1 4.33Å; D558-Y716 VanDerWaalsContact O-CE1 3.25Å; D558-Y716 WeakPolarHBondContact O-CE1 3.18Å; D558-Y716 PolarHBondContact O-OH 2.87Å
559A92.6Very high91.6Very high0 Ų023.3 Ų23.30%011%0.11CC..SBendtrans-136.4-153.2177.800000112.4R467 I555 N609 L640 A643R467-A559 PolarHBondContact NH2-O 2.85Å; I555-A559 HydrophobicContact CG2-CB 4.37Å; I555-A559 WeakPolarHBondContact O-CA 3.45Å; I555-A559 WeakPolarHBondContact O-CB 3.3Å; I555-A559 PolarHBondContact O-N 2.84Å; A559-N609 PolarHBondContact O-ND2 3.32Å; A559-L640 HydrophobicContact CB-CD2 3.86Å; A559-A643 HydrophobicContact CB-CB 3.88Å
560Q92.7Very high91.2Very high56 Ų5625.7 Ų25.726%0.26213%0.13SC..  trans-83.5152.9175.9-52.7-172.6-72.200111.3K562 D563 A564 L612Q560-K562 HydrophobicContact CB-CB 4.33Å; Q560-K562 PolarHBondContact O-N 3.21Å; Q560-D563 VanDerWaalsContact CB-OD2 3.3Å; Q560-D563 WeakPolarHBondContact CB-OD2 3.29Å; Q560-D563 PolarHBondContact N-OD2 3.38Å; Q560-D563 VanDerWaalsContact N-OD2 3.16Å; Q560-D563 PolarHBondContact O-N 3.02Å; Q560-A564 PolarHBondContact O-N 3.29Å; Q560-L612 HydrophobicContact CG-CD1 3.63Å
561M93.8Very high91Very high5 Ų527.1 Ų27.13%0.02514%0.136CC..Hα-helixtrans-63.9-33173.2-66-179.2-176.700111.5N470 F472 D563 A564 L565 V601 N607N470-M561 WeakPolarHBondContact OD1-CE 3.49Å; F472-M561 HydrophobicContact CB-CB 4.5Å; F472-M561 HydrophobicContact CB-CE 4.03Å; F472-M561 HydrophobicContact CB-CG 3.97Å; F472-M561 HydrophobicContact CB-SD 3.48Å; F472-M561 WeakPolarHBondContact CB-SD 3.18Å; F472-M561 HydrophobicContact CD2-CB 4.09Å; F472-M561 HydrophobicContact CD2-CG 4.44Å; F472-M561 HydrophobicContact CG-CB 4.25Å; F472-M561 HydrophobicContact CG-CG 4.12Å; F472-M561 HydrophobicContact CG-SD 4.23Å; M561-D563 VanDerWaalsContact C-N 3.29Å; M561-D563 PolarHBondContact O-N 3.46Å; M561-A564 PolarHBondContact O-N 3.46Å; M561-L565 WeakPolarHBondContact O-CB 3.32Å; M561-L565 PolarHBondContact O-N 3.25Å; M561-V601 HydrophobicContact SD-CG1 3.79Å; M561-N607 HydrophobicContact CE-CB 3.83Å; M561-N607 HydrophobicContact SD-CB 3.84Å
562K92.4Very high91.1Very high56 Ų5625.8 Ų25.824%0.24313%0.129CC..Hα-helixtrans-53.7-40.4171.3-179.3-178.8174.2-168.30112.7Q560 L565 N566 E650Q560-K562 HydrophobicContact CB-CB 4.33Å; Q560-K562 PolarHBondContact O-N 3.21Å; K562-L565 PolarHBondContact O-N 3.49Å; K562-N566 WeakPolarHBondContact O-CB 3.37Å; K562-N566 PolarHBondContact O-N 2.92Å; K562-N566 PolarHBondContact O-ND2 3.12Å; K562-E650 IonicContact NZ-OE1 3.03Å; K562-E650 PolarHBondContact NZ-OE1 2.96Å; K562-E650 IonicContact NZ-OE2 2.79Å; K562-E650 PolarHBondContact NZ-OE2 3.39Å
563D91Very high90.9Very high14 Ų1431 Ų318%0.07515%0.153CC..Hα-helixtrans-69.9-44.7-180-57.2-47.7000111.6I555 Q560 M561 L565 N566 Y567 A643I555-D563 HydrophobicContact CG2-CB 3.84Å; Q560-D563 VanDerWaalsContact CB-OD2 3.3Å; Q560-D563 WeakPolarHBondContact CB-OD2 3.29Å; Q560-D563 PolarHBondContact N-OD2 3.38Å; Q560-D563 VanDerWaalsContact N-OD2 3.16Å; Q560-D563 PolarHBondContact O-N 3.02Å; M561-D563 VanDerWaalsContact C-N 3.29Å; M561-D563 PolarHBondContact O-N 3.46Å; D563-L565 VanDerWaalsContact C-N 3.31Å; D563-L565 PolarHBondContact O-N 3.27Å; D563-N566 PolarHBondContact O-N 2.63Å; D563-Y567 PolarHBondContact O-N 3.46Å; D563-A643 HydrophobicContact CB-CB 3.86Å
564A92.5Very high90.1Very high0 Ų035.8 Ų35.80%018%0.179CC..Hα-helixtrans-61.1-39.2174.800000112.2F472 A552 I555 Q560 M561 Y567 L568F472-A564 HydrophobicContact CE1-CB 3.66Å; F472-A564 HydrophobicContact CE2-CB 4.49Å; F472-A564 HydrophobicContact CZ-CB 3.52Å; A552-A564 HydrophobicContact CB-CB 4.3Å; A552-A564 WeakPolarHBondContact O-CB 3.25Å; I555-A564 HydrophobicContact CB-CB 4.14Å; I555-A564 HydrophobicContact CG2-CB 4.02Å; Q560-A564 PolarHBondContact O-N 3.29Å; M561-A564 PolarHBondContact O-N 3.46Å; A564-Y567 PolarHBondContact O-N 3.47Å; A564-L568 PolarHBondContact O-N 3.33Å
565L94.9Very high89.7Confident4 Ų434.1 Ų34.12%0.02117%0.171CC..Hα-helixtrans-68.9-42176.1-171.654.3000112.1F472 M561 K562 D563 Y567 L568 K569 F591 L595 L598 E599F472-L565 HydrophobicContact CE2-CB 4.1Å; M561-L565 WeakPolarHBondContact O-CB 3.32Å; M561-L565 PolarHBondContact O-N 3.25Å; K562-L565 PolarHBondContact O-N 3.49Å; D563-L565 VanDerWaalsContact C-N 3.31Å; D563-L565 PolarHBondContact O-N 3.27Å; L565-Y567 VanDerWaalsContact C-N 3.31Å; L565-Y567 PolarHBondContact O-N 2.69Å; L565-L568 PolarHBondContact O-N 3.23Å; L565-K569 WeakPolarHBondContact O-CG 3.31Å; L565-K569 PolarHBondContact O-N 3.41Å; L565-F591 HydrophobicContact CD1-CE2 4.47Å; L565-F591 HydrophobicContact CD1-CZ 4.17Å; L565-L595 HydrophobicContact CD1-CD1 3.99Å; L565-L598 HydrophobicContact CD1-CB 3.87Å; L565-L598 HydrophobicContact CD1-CD1 4.2Å; L565-L598 HydrophobicContact CD2-CB 4.19Å; L565-E599 HydrophobicContact CD2-CB 4.38Å; L565-E599 HydrophobicContact CD2-CG 3.71Å
566N91.2Very high89.2Confident59 Ų5938.6 Ų38.632%0.31619%0.187SC..Hα-helixtrans-61.6-38.8174.8-72.4-40.2000111.9K562 D563 K569 A570 K646K562-N566 WeakPolarHBondContact O-CB 3.37Å; K562-N566 PolarHBondContact O-N 2.92Å; K562-N566 PolarHBondContact O-ND2 3.12Å; D563-N566 PolarHBondContact O-N 2.63Å; N566-K569 PolarHBondContact O-N 2.96Å; N566-A570 WeakPolarHBondContact O-CB 3.47Å; N566-A570 PolarHBondContact O-N 3.4Å; N566-K646 PolarHBondContact ND2-NZ 3.18Å
567Y88.6Confident88.3Confident66 Ų6645.4 Ų45.426%0.25922%0.218SC..Hα-helixtrans-61.3-41.8174.2178.2-100.4000112.4K548 D551 A552 I555 D563 A564 L565 F571K548-Y567 HydrophobicContact CD-CE1 3.74Å; K548-Y567 WeakPolarHBondContact CD-OH 3.5Å; K548-Y567 PolarHBondContact NZ-OH 3Å; D551-Y567 HydrophobicContact CB-CD1 4.42Å; D551-Y567 HydrophobicContact CB-CE1 3.52Å; D551-Y567 PolarHBondContact OD2-OH 3Å; A552-Y567 HydrophobicContact CB-CD1 4.3Å; I555-Y567 HydrophobicContact CD1-CD1 4.02Å; I555-Y567 HydrophobicContact CD1-CD2 4.09Å; I555-Y567 HydrophobicContact CD1-CG 3.76Å; D563-Y567 PolarHBondContact O-N 3.46Å; A564-Y567 PolarHBondContact O-N 3.47Å; L565-Y567 VanDerWaalsContact C-N 3.31Å; L565-Y567 PolarHBondContact O-N 2.69Å; Y567-F571 PolarHBondContact O-N 3.14Å
568L92.4Very high87Confident0 Ų045.4 Ų45.40%023%0.227CC..Hα-helixtrans-69.6-43.6175.2-68.3175.3000112.1I476 K548 Y549 A552 A564 L565 A570 F571 F572 F591I476-L568 HydrophobicContact CD1-CD1 3.61Å; I476-L568 HydrophobicContact CG1-CD1 4.47Å; K548-L568 HydrophobicContact CB-CD2 4.38Å; Y549-L568 HydrophobicContact CD1-CD1 4.11Å; Y549-L568 HydrophobicContact CD1-CD2 3.86Å; Y549-L568 HydrophobicContact CE1-CD1 4.38Å; Y549-L568 HydrophobicContact CE1-CD2 4.29Å; A552-L568 HydrophobicContact CB-CD1 3.73Å; A552-L568 HydrophobicContact CB-CD2 3.81Å; A552-L568 HydrophobicContact CB-CG 3.64Å; A564-L568 PolarHBondContact O-N 3.33Å; L565-L568 PolarHBondContact O-N 3.23Å; L568-A570 VanDerWaalsContact C-N 3.35Å; L568-A570 PolarHBondContact O-N 2.92Å; L568-F571 PolarHBondContact O-N 3.48Å; L568-F571 VanDerWaalsContact O-N 3.16Å; L568-F572 WeakPolarHBondContact O-CD2 3.18Å; L568-F572 PolarHBondContact O-N 2.71Å; L568-F591 HydrophobicContact CB-CE2 3.91Å; L568-F591 HydrophobicContact CB-CZ 3.78Å; L568-F591 HydrophobicContact CD1-CE2 3.95Å
569K92.9Very high85.3Confident77 Ų7746.2 Ų46.234%0.33524%0.235SC..Hα-helixtrans-56.2-46.4175.8-77.5-179.4171.1-170.90112.1L565 N566 F571 F572 H573 L595 E599L565-K569 WeakPolarHBondContact O-CG 3.31Å; L565-K569 PolarHBondContact O-N 3.41Å; N566-K569 PolarHBondContact O-N 2.96Å; K569-F571 PolarHBondContact O-N 3.33Å; K569-F572 PolarHBondContact O-N 3.4Å; K569-H573 WeakPolarHBondContact O-CB 3.23Å; K569-H573 PolarHBondContact O-N 3.31Å; K569-L595 HydrophobicContact CG-CD1 4.37Å; K569-E599 WeakPolarHBondContact CE-OE1 3.43Å; K569-E599 IonicContact NZ-OE1 2.71Å; K569-E599 PolarHBondContact NZ-OE1 2.89Å
570A86.4Confident84.3Confident53 Ų5349.6 Ų49.644%0.43825%0.25SC..Hα-helixtrans-61.6-43.1176.200000111.8N566 L568 H573 D574N566-A570 WeakPolarHBondContact O-CB 3.47Å; N566-A570 PolarHBondContact O-N 3.4Å; L568-A570 VanDerWaalsContact C-N 3.35Å; L568-A570 PolarHBondContact O-N 2.92Å; A570-H573 WeakPolarHBondContact O-CB 3.43Å; A570-H573 PolarHBondContact O-N 3.22Å; A570-D574 PolarHBondContact O-N 3.16Å
571F86.1Confident83.4Confident29 Ų2947.9 Ų47.913%0.12724%0.242CC..Hα-helixtrans-62.4-45.7175.9168.2-114.1000113.1H545 K548 Y567 L568 K569 H573 D574 V575H545-F571 AromaticContact CD2-CZ 3.78Å; H545-F571 AromaticContact CE1-CE1 3.8Å; H545-F571 AromaticContact CE1-CZ 3.81Å; H545-F571 AromaticContact CG-CE1 3.97Å; H545-F571 AromaticContact ND1-CE1 3.7Å; H545-F571 AromaticContact NE2-CZ 3.65Å; K548-F571 HydrophobicContact CB-CD1 3.83Å; K548-F571 HydrophobicContact CB-CE1 3.92Å; K548-F571 HydrophobicContact CB-CG 4.26Å; K548-F571 HydrophobicContact CB-CZ 4.44Å; K548-F571 HydrophobicContact CD-CB 4.26Å; K548-F571 HydrophobicContact CD-CD1 4.33Å; K548-F571 HydrophobicContact CD-CD2 3.97Å; K548-F571 HydrophobicContact CD-CE2 4.45Å; K548-F571 HydrophobicContact CD-CG 3.9Å; K548-F571 HydrophobicContact CG-CD1 3.76Å; K548-F571 HydrophobicContact CG-CD2 3.82Å; K548-F571 HydrophobicContact CG-CE1 3.8Å; K548-F571 HydrophobicContact CG-CE2 3.87Å; K548-F571 HydrophobicContact CG-CG 3.76Å; K548-F571 HydrophobicContact CG-CZ 3.86Å; Y567-F571 PolarHBondContact O-N 3.14Å; L568-F571 PolarHBondContact O-N 3.48Å; L568-F571 VanDerWaalsContact O-N 3.16Å; K569-F571 PolarHBondContact O-N 3.33Å; F571-H573 VanDerWaalsContact C-N 3.26Å; F571-H573 PolarHBondContact O-N 3.47Å; F571-D574 PolarHBondContact O-N 2.69Å; F571-V575 HydrophobicContact CD2-CG2 4.11Å; F571-V575 HydrophobicContact CE1-CG2 4.33Å; F571-V575 HydrophobicContact CE2-CG2 3.56Å; F571-V575 HydrophobicContact CZ-CG2 3.69Å; F571-V575 WeakPolarHBondContact O-CG2 3.3Å; F571-V575 PolarHBondContact O-N 2.77Å
572F88.3Confident82.8Confident4 Ų454.9 Ų54.92%0.01828%0.275CS..Hα-helixtrans-74.6-12.7178.3-79.3-73.6000114H545 Y549 L568 K569 R576 T588 F591H545-F572 AromaticContact CE1-CE1 3.62Å; H545-F572 AromaticContact ND1-CE1 3.6Å; H545-F572 AromaticContact ND1-CZ 3.69Å; Y549-F572 HydrophobicContact CE1-CE2 4.15Å; Y549-F572 HydrophobicContact CE1-CZ 4.41Å; L568-F572 WeakPolarHBondContact O-CD2 3.18Å; L568-F572 PolarHBondContact O-N 2.71Å; K569-F572 PolarHBondContact O-N 3.4Å; F572-R576 WeakPolarHBondContact O-CG 3.29Å; F572-R576 PolarHBondContact O-NE 3.31Å; F572-T588 HydrophobicContact CD1-CG2 4.06Å; F572-T588 WeakPolarHBondContact CD1-OG1 3.49Å; F572-F591 HydrophobicContact CB-CD1 4.24Å; F572-F591 HydrophobicContact CB-CE1 4.3Å; F572-F591 HydrophobicContact CD1-CD1 4.37Å; F572-F591 HydrophobicContact CD2-CB 4.3Å; F572-F591 AromaticContact CD2-CD1 3.33Å; F572-F591 HydrophobicContact CD2-CD1 3.33Å; F572-F591 HydrophobicContact CD2-CD2 4.13Å; F572-F591 AromaticContact CD2-CE1 3.53Å; F572-F591 HydrophobicContact CD2-CE1 3.53Å; F572-F591 HydrophobicContact CD2-CE2 4.31Å; F572-F591 AromaticContact CD2-CG 3.65Å; F572-F591 HydrophobicContact CD2-CG 3.65Å; F572-F591 HydrophobicContact CD2-CZ 4.03Å; F572-F591 HydrophobicContact CE1-CB 4.14Å; F572-F591 HydrophobicContact CE2-CB 3.77Å; F572-F591 AromaticContact CE2-CD1 3.63Å; F572-F591 HydrophobicContact CE2-CD1 3.63Å; F572-F591 AromaticContact CE2-CD2 3.7Å; F572-F591 HydrophobicContact CE2-CD2 3.7Å; F572-F591 HydrophobicContact CE2-CE1 4.12Å; F572-F591 HydrophobicContact CE2-CE2 4.19Å; F572-F591 AromaticContact CE2-CG 3.4Å; F572-F591 HydrophobicContact CE2-CG 3.4Å; F572-F591 HydrophobicContact CE2-CZ 4.37Å; F572-F591 AromaticContact CG-CD1 3.74Å; F572-F591 HydrophobicContact CG-CD1 3.74Å; F572-F591 HydrophobicContact CG-CE1 4.11Å; F572-F591 HydrophobicContact CG-CG 4.32Å; F572-F591 HydrophobicContact CZ-CB 3.66Å; F572-F591 HydrophobicContact CZ-CD1 4.26Å; F572-F591 HydrophobicContact CZ-CD2 4.41Å; F572-F591 AromaticContact CZ-CG 3.87Å; F572-F591 HydrophobicContact CZ-CG 3.87Å
573H87.1Confident82.3Confident110 Ų11053.1 Ų53.151%0.50927%0.269SS..Hα-helixtrans-75.6-53.9164175.6-79000110.1K569 A570 F571 V575 R576 E577K569-H573 WeakPolarHBondContact O-CB 3.23Å; K569-H573 PolarHBondContact O-N 3.31Å; A570-H573 WeakPolarHBondContact O-CB 3.43Å; A570-H573 PolarHBondContact O-N 3.22Å; F571-H573 VanDerWaalsContact C-N 3.26Å; F571-H573 PolarHBondContact O-N 3.47Å; H573-V575 PolarHBondContact O-N 3.3Å; H573-V575 VanDerWaalsContact O-N 3.12Å; H573-R576 PolarHBondContact O-N 2.93Å; H573-E577 PolarHBondContact O-N 2.85Å
574D76.9Confident82Confident105 Ų10553.4 Ų53.456%0.56127%0.27SS*.Hα-helixtrans-56.8-29.9179.2-69-9.2000113.4A570 F571 A578A570-D574 PolarHBondContact O-N 3.16Å; F571-D574 PolarHBondContact O-N 2.69Å; D574-A578 WeakPolarHBondContact O-CB 3.26Å; D574-A578 PolarHBondContact O-N 3.16Å
575V78.3Confident81.7Confident10 Ų1057.8 Ų57.86%0.06129%0.29CS..Hα-helixtrans-68.5-38.2174.81660000112.5F571 H573 A578 F580 E584F571-V575 HydrophobicContact CD2-CG2 4.11Å; F571-V575 HydrophobicContact CE1-CG2 4.33Å; F571-V575 HydrophobicContact CE2-CG2 3.56Å; F571-V575 HydrophobicContact CZ-CG2 3.69Å; F571-V575 WeakPolarHBondContact O-CG2 3.3Å; F571-V575 PolarHBondContact O-N 2.77Å; H573-V575 PolarHBondContact O-N 3.3Å; H573-V575 VanDerWaalsContact O-N 3.12Å; V575-A578 WeakPolarHBondContact O-CB 3.45Å; V575-A578 PolarHBondContact O-N 3.02Å; V575-F580 HydrophobicContact CG1-CD2 3.93Å; V575-F580 HydrophobicContact CG1-CE2 4.17Å; V575-E584 HydrophobicContact CG1-CB 3.9Å; V575-E584 HydrophobicContact CG1-CG 4.27Å
576R79.8Confident81.4Confident103 Ų10360.4 Ų60.439%0.38930%0.304SS..Hα-helixtrans-71-37.7178.7-65.2176.9-146.6-130.37.9111.9F572 H573 A578 F580 T588 E592F572-R576 WeakPolarHBondContact O-CG 3.29Å; F572-R576 PolarHBondContact O-NE 3.31Å; H573-R576 PolarHBondContact O-N 2.93Å; R576-A578 PolarHBondContact O-N 3.41Å; R576-F580 HydrophobicContact CG-CD2 4.36Å; R576-F580 HydrophobicContact CG-CE1 4.31Å; R576-F580 HydrophobicContact CG-CE2 3.98Å; R576-F580 HydrophobicContact CG-CZ 3.96Å; R576-T588 VanDerWaalsContact CZ-CG2 3.48Å; R576-T588 VanDerWaalsContact NH2-CG2 3.3Å; R576-E592 IonicContact CZ-OE1 3.25Å; R576-E592 IonicContact NH1-OE1 2.92Å; R576-E592 PolarHBondContact NH1-OE1 3.04Å; R576-E592 IonicContact NH1-OE2 2.71Å; R576-E592 VanDerWaalsContact NH2-CD 3.3Å; R576-E592 IonicContact NH2-OE1 3.23Å; R576-E592 PolarHBondContact NH2-OE1 3.03Å
577E74.4Confident81.3Confident144 Ų14457.6 Ų57.667%0.67329%0.289SS*.THydrogen-bonded Turntrans-71-3173.3-60.7-61.912100113.3H573H573-E577 PolarHBondContact O-N 2.85Å
578A63.3Low81.4Confident49 Ų4954.5 Ų54.541%0.40528%0.277SS..SBendtrans-96.5-123.6-17700000113.4D574 V575 R576 R871D574-A578 WeakPolarHBondContact O-CB 3.26Å; D574-A578 PolarHBondContact O-N 3.16Å; V575-A578 WeakPolarHBondContact O-CB 3.45Å; V575-A578 PolarHBondContact O-N 3.02Å; R576-A578 PolarHBondContact O-N 3.41Å; A578-R871 PolarHBondContact O-NH1 2.9Å
579A55.4Low81.5Confident26 Ų2659.7 Ų59.722%0.21530%0.297CS..  trans-122.158.6-176.300000109D581A579-D581 PolarHBondContact O-N 2.88Å
580F71.9Confident81.4Confident72 Ų7257.9 Ų57.932%0.31629%0.291SS..  trans-5982.4-162.6-168.9-133.6000113.8V575 R576 E584 Q585 T588V575-F580 HydrophobicContact CG1-CD2 3.93Å; V575-F580 HydrophobicContact CG1-CE2 4.17Å; R576-F580 HydrophobicContact CG-CD2 4.36Å; R576-F580 HydrophobicContact CG-CE1 4.31Å; R576-F580 HydrophobicContact CG-CE2 3.98Å; R576-F580 HydrophobicContact CG-CZ 3.96Å; F580-E584 WeakPolarHBondContact CA-OE2 3.34Å; F580-E584 HydrophobicContact CD2-CB 3.97Å; F580-E584 HydrophobicContact CE2-CB 4.4Å; F580-Q585 HydrophobicContact CD1-CG 3.72Å; F580-Q585 HydrophobicContact CD2-CG 4.19Å; F580-Q585 HydrophobicContact CE1-CG 3.48Å; F580-Q585 VanDerWaalsContact CE1-CG 3.48Å; F580-Q585 HydrophobicContact CE2-CG 3.97Å; F580-Q585 HydrophobicContact CG-CG 4.07Å; F580-Q585 HydrophobicContact CZ-CB 4.25Å; F580-Q585 HydrophobicContact CZ-CG 3.61Å; F580-Q585 PolarHBondContact O-NE2 3.04Å; F580-T588 HydrophobicContact CE2-CG2 4.39Å; F580-T588 HydrophobicContact CZ-CG2 4.32Å
581D72.8Confident81.8Confident19 Ų1955.5 Ų55.510%0.10227%0.27CS..  trans-83.8173.4-17783.814.4000113.5R537 A579 T583 E584 Q585R537-D581 IonicContact CZ-OD2 2.78Å; R537-D581 VanDerWaalsContact CZ-OD2 3.31Å; R537-D581 IonicContact NH1-OD2 3.15Å; R537-D581 PolarHBondContact NH1-OD2 3.35Å; R537-D581 IonicContact NH2-OD2 3.44Å; R537-D581 PolarHBondContact NH2-OD2 3.18Å; A579-D581 PolarHBondContact O-N 2.88Å; D581-T583 PolarHBondContact O-N 3.35Å; D581-T583 WeakPolarHBondContact OD1-CA 3.37Å; D581-T583 WeakPolarHBondContact OD1-CB 3.34Å; D581-T583 PolarHBondContact OD1-N 3.44Å; D581-E584 CarbonylContact O-C 3.46Å; D581-E584 PolarHBondContact O-N 3.33Å; D581-E584 VanDerWaalsContact O-N 3.07Å; D581-E584 PolarHBondContact OD1-N 3.36Å; D581-Q585 WeakPolarHBondContact O-CB 3.08Å; D581-Q585 VanDerWaalsContact O-CG 3.25Å; D581-Q585 WeakPolarHBondContact O-CG 3.28Å; D581-Q585 PolarHBondContact O-N 2.87Å
582E82.9Confident82.2Confident153 Ų15358 Ų5872%0.71528%0.283SS*.Hα-helixtrans-53.6-34.8-178.9-173.4178.3-152.400113.7D586E582-D586 WeakPolarHBondContact O-CB 3.45Å; E582-D586 PolarHBondContact O-N 3.49Å
583T82.2Confident82.6Confident19 Ų1964.2 Ų64.212%0.11731%0.312CS..Hα-helixtrans-76.6-39.8177.1-580000111.4V538 L541 Y542 D581 Q585 L587V538-T583 HydrophobicContact CG1-CG2 4.36Å; L541-T583 HydrophobicContact CB-CG2 4.36Å; L541-T583 HydrophobicContact CD1-CG2 4.12Å; Y542-T583 HydrophobicContact CD1-CG2 4.42Å; Y542-T583 HydrophobicContact CE1-CG2 3.84Å; Y542-T583 HydrophobicContact CE2-CG2 4.43Å; D581-T583 PolarHBondContact O-N 3.35Å; D581-T583 WeakPolarHBondContact OD1-CA 3.37Å; D581-T583 WeakPolarHBondContact OD1-CB 3.34Å; D581-T583 PolarHBondContact OD1-N 3.44Å; T583-Q585 VanDerWaalsContact C-N 3.33Å; T583-L587 HydrophobicContact CG2-CD1 4.08Å; T583-L587 WeakPolarHBondContact O-CB 3.44Å; T583-L587 WeakPolarHBondContact O-CD1 3.46Å; T583-L587 VanDerWaalsContact O-CG 3.25Å; T583-L587 WeakPolarHBondContact O-CG 3.4Å; T583-L587 PolarHBondContact O-N 3.32Å
584E83.4Confident83Confident20 Ų2061.4 Ų61.49%0.09330%0.298CS..Hα-helixtrans-66.4-34.8173.2-67.8-177163.100111.6L541 V575 F580 D581 T588L541-E584 HydrophobicContact CD1-CG 4.09Å; L541-E584 HydrophobicContact CD2-CG 4.02Å; L541-E584 WeakPolarHBondContact CD2-OE1 3.32Å; V575-E584 HydrophobicContact CG1-CB 3.9Å; V575-E584 HydrophobicContact CG1-CG 4.27Å; F580-E584 WeakPolarHBondContact CA-OE2 3.34Å; F580-E584 HydrophobicContact CD2-CB 3.97Å; F580-E584 HydrophobicContact CE2-CB 4.4Å; D581-E584 CarbonylContact O-C 3.46Å; D581-E584 PolarHBondContact O-N 3.33Å; D581-E584 VanDerWaalsContact O-N 3.07Å; D581-E584 PolarHBondContact OD1-N 3.36Å; E584-T588 VanDerWaalsContact O-CB 3.25Å; E584-T588 WeakPolarHBondContact O-CB 3.48Å; E584-T588 PolarHBondContact O-N 3.24Å; E584-T588 PolarHBondContact O-OG1 3.22Å
585Q86.9Confident83.8Confident91 Ų9158.4 Ų58.443%0.42528%0.282SS..Hα-helixtrans-64-52173.4-73.7169.138.200111.8F580 D581 T583 L587 T588 R589F580-Q585 HydrophobicContact CD1-CG 3.72Å; F580-Q585 HydrophobicContact CD2-CG 4.19Å; F580-Q585 HydrophobicContact CE1-CG 3.48Å; F580-Q585 VanDerWaalsContact CE1-CG 3.48Å; F580-Q585 HydrophobicContact CE2-CG 3.97Å; F580-Q585 HydrophobicContact CG-CG 4.07Å; F580-Q585 HydrophobicContact CZ-CB 4.25Å; F580-Q585 HydrophobicContact CZ-CG 3.61Å; F580-Q585 PolarHBondContact O-NE2 3.04Å; D581-Q585 WeakPolarHBondContact O-CB 3.08Å; D581-Q585 VanDerWaalsContact O-CG 3.25Å; D581-Q585 WeakPolarHBondContact O-CG 3.28Å; D581-Q585 PolarHBondContact O-N 2.87Å; T583-Q585 VanDerWaalsContact C-N 3.33Å; Q585-L587 PolarHBondContact O-N 2.71Å; Q585-T588 PolarHBondContact O-N 3.22Å; Q585-R589 PolarHBondContact O-N 3.11Å
586D88.3Confident84.6Confident59 Ų5965 Ų6532%0.31631%0.312SS..Hα-helixtrans-58.2-45.5176.2-93.4-2000112.1E582 T588 R589 N590E582-D586 WeakPolarHBondContact O-CB 3.45Å; E582-D586 PolarHBondContact O-N 3.49Å; D586-T588 VanDerWaalsContact C-N 3.28Å; D586-T588 PolarHBondContact O-N 2.93Å; D586-R589 PolarHBondContact O-N 2.8Å; D586-R589 IonicContact OD1-CZ 3.59Å; D586-R589 IonicContact OD1-NH1 2.69Å; D586-R589 PolarHBondContact OD1-NH1 3.42Å; D586-R589 IonicContact OD1-NH2 2.88Å; D586-R589 PolarHBondContact OD1-NH2 3.06Å; D586-N590 WeakPolarHBondContact O-CB 3.44Å; D586-N590 PolarHBondContact O-N 2.93Å; D586-N590 PolarHBondContact O-ND2 2.7Å; D586-N590 PolarHBondContact O-OD1 3.44Å
587L89.8Confident85.3Confident1 Ų163.9 Ų63.91%0.00531%0.311CS..Hα-helixtrans-66.3-29.9178-72.6169.6000113.2T483 Y542 H545 T583 Q585 F591T483-L587 HydrophobicContact CG2-CD2 4.01Å; Y542-L587 HydrophobicContact CD1-CD1 3.69Å; Y542-L587 HydrophobicContact CD1-CD2 3.83Å; Y542-L587 HydrophobicContact CD1-CG 4.15Å; Y542-L587 HydrophobicContact CE1-CD1 3.93Å; Y542-L587 HydrophobicContact CE1-CD2 3.87Å; Y542-L587 HydrophobicContact CE1-CG 4.03Å; H545-L587 HydrophobicContact CB-CD1 4.41Å; T583-L587 HydrophobicContact CG2-CD1 4.08Å; T583-L587 WeakPolarHBondContact O-CB 3.44Å; T583-L587 WeakPolarHBondContact O-CD1 3.46Å; T583-L587 VanDerWaalsContact O-CG 3.25Å; T583-L587 WeakPolarHBondContact O-CG 3.4Å; T583-L587 PolarHBondContact O-N 3.32Å; Q585-L587 PolarHBondContact O-N 2.71Å; L587-F591 PolarHBondContact O-N 3.35Å
588T90.6Very high86.3Confident1 Ų157 Ų571%0.00628%0.279CS..Hα-helixtrans-75.2-45.9176.2-60.20000110.8F572 R576 F580 E584 Q585 D586 N590 F591 E592F572-T588 HydrophobicContact CD1-CG2 4.06Å; F572-T588 WeakPolarHBondContact CD1-OG1 3.49Å; R576-T588 VanDerWaalsContact CZ-CG2 3.48Å; R576-T588 VanDerWaalsContact NH2-CG2 3.3Å; F580-T588 HydrophobicContact CE2-CG2 4.39Å; F580-T588 HydrophobicContact CZ-CG2 4.32Å; E584-T588 VanDerWaalsContact O-CB 3.25Å; E584-T588 WeakPolarHBondContact O-CB 3.48Å; E584-T588 PolarHBondContact O-N 3.24Å; E584-T588 PolarHBondContact O-OG1 3.22Å; Q585-T588 PolarHBondContact O-N 3.22Å; D586-T588 VanDerWaalsContact C-N 3.28Å; D586-T588 PolarHBondContact O-N 2.93Å; T588-N590 VanDerWaalsContact C-N 3.35Å; T588-N590 PolarHBondContact O-N 3.3Å; T588-F591 WeakPolarHBondContact O-CA 3.35Å; T588-F591 WeakPolarHBondContact O-CB 3.47Å; T588-F591 PolarHBondContact O-N 3.21Å; T588-E592 HydrophobicContact CG2-CG 4.43Å; T588-E592 WeakPolarHBondContact O-CG 3.43Å; T588-E592 PolarHBondContact O-N 3.03Å
589R93Very high87.8Confident109 Ų10958.1 Ų58.141%0.41128%0.276SS..Hα-helixtrans-58.7-45.3176.3-173-175.463.7-109.2-9.3111.7Q585 D586 F591 E592 E593Q585-R589 PolarHBondContact O-N 3.11Å; D586-R589 PolarHBondContact O-N 2.8Å; D586-R589 IonicContact OD1-CZ 3.59Å; D586-R589 IonicContact OD1-NH1 2.69Å; D586-R589 PolarHBondContact OD1-NH1 3.42Å; D586-R589 IonicContact OD1-NH2 2.88Å; D586-R589 PolarHBondContact OD1-NH2 3.06Å; R589-F591 PolarHBondContact O-N 3.06Å; R589-E592 PolarHBondContact O-N 3.35Å; R589-E592 VanDerWaalsContact O-N 3.08Å; R589-E593 IonicContact NE-OE1 2.75Å; R589-E593 WeakPolarHBondContact O-CG 3.44Å; R589-E593 PolarHBondContact O-N 2.82Å
590N92.1Very high89.6Confident38 Ų3861.7 Ų61.720%0.20329%0.291CS..Hα-helixtrans-60.8-29.9177.2-63.2-10.9000112.5L479 D586 T588L479-N590 VanDerWaalsContact CD2-O 3.29Å; L479-N590 WeakPolarHBondContact CD2-O 3.4Å; D586-N590 WeakPolarHBondContact O-CB 3.44Å; D586-N590 PolarHBondContact O-N 2.93Å; D586-N590 PolarHBondContact O-ND2 2.7Å; D586-N590 PolarHBondContact O-OD1 3.44Å; T588-N590 VanDerWaalsContact C-N 3.35Å; T588-N590 PolarHBondContact O-N 3.3Å
591F94.6Very high90.6Very high3 Ų359.2 Ų59.21%0.01328%0.282CS..Hα-helixtrans-77.5-40.1172.6172.7-105.6000112.2L479 Y549 L565 L568 F572 L587 T588 R589 K594 L595 L598L479-F591 HydrophobicContact CD1-CD2 4.16Å; Y549-F591 HydrophobicContact CE1-CD2 4.18Å; L565-F591 HydrophobicContact CD1-CE2 4.47Å; L565-F591 HydrophobicContact CD1-CZ 4.17Å; L568-F591 HydrophobicContact CB-CE2 3.91Å; L568-F591 HydrophobicContact CB-CZ 3.78Å; L568-F591 HydrophobicContact CD1-CE2 3.95Å; F572-F591 HydrophobicContact CB-CD1 4.24Å; F572-F591 HydrophobicContact CB-CE1 4.3Å; F572-F591 HydrophobicContact CD1-CD1 4.37Å; F572-F591 HydrophobicContact CD2-CB 4.3Å; F572-F591 AromaticContact CD2-CD1 3.33Å; F572-F591 HydrophobicContact CD2-CD1 3.33Å; F572-F591 HydrophobicContact CD2-CD2 4.13Å; F572-F591 AromaticContact CD2-CE1 3.53Å; F572-F591 HydrophobicContact CD2-CE1 3.53Å; F572-F591 HydrophobicContact CD2-CE2 4.31Å; F572-F591 AromaticContact CD2-CG 3.65Å; F572-F591 HydrophobicContact CD2-CG 3.65Å; F572-F591 HydrophobicContact CD2-CZ 4.03Å; F572-F591 HydrophobicContact CE1-CB 4.14Å; F572-F591 HydrophobicContact CE2-CB 3.77Å; F572-F591 AromaticContact CE2-CD1 3.63Å; F572-F591 HydrophobicContact CE2-CD1 3.63Å; F572-F591 AromaticContact CE2-CD2 3.7Å; F572-F591 HydrophobicContact CE2-CD2 3.7Å; F572-F591 HydrophobicContact CE2-CE1 4.12Å; F572-F591 HydrophobicContact CE2-CE2 4.19Å; F572-F591 AromaticContact CE2-CG 3.4Å; F572-F591 HydrophobicContact CE2-CG 3.4Å; F572-F591 HydrophobicContact CE2-CZ 4.37Å; F572-F591 AromaticContact CG-CD1 3.74Å; F572-F591 HydrophobicContact CG-CD1 3.74Å; F572-F591 HydrophobicContact CG-CE1 4.11Å; F572-F591 HydrophobicContact CG-CG 4.32Å; F572-F591 HydrophobicContact CZ-CB 3.66Å; F572-F591 HydrophobicContact CZ-CD1 4.26Å; F572-F591 HydrophobicContact CZ-CD2 4.41Å; F572-F591 AromaticContact CZ-CG 3.87Å; F572-F591 HydrophobicContact CZ-CG 3.87Å; L587-F591 PolarHBondContact O-N 3.35Å; T588-F591 WeakPolarHBondContact O-CA 3.35Å; T588-F591 WeakPolarHBondContact O-CB 3.47Å; T588-F591 PolarHBondContact O-N 3.21Å; R589-F591 PolarHBondContact O-N 3.06Å; F591-K594 CarbonylContact O-C 3.52Å; F591-K594 WeakPolarHBondContact O-CA 3.4Å; F591-K594 PolarHBondContact O-N 2.9Å; F591-L595 HydrophobicContact CE1-CD1 4.01Å; F591-L595 HydrophobicContact CZ-CD1 3.89Å; F591-L595 PolarHBondContact O-N 3.33Å; F591-L598 HydrophobicContact CD2-CD1 4.31Å; F591-L598 HydrophobicContact CE2-CD1 3.84Å
592E93.9Very high91.5Very high83 Ų8359.3 Ų59.339%0.38828%0.284SS..Hα-helixtrans-61.8-41.9176.1-71.1174.2130.600112.3R576 T588 R589 K594 L595R576-E592 IonicContact CZ-OE1 3.25Å; R576-E592 IonicContact NH1-OE1 2.92Å; R576-E592 PolarHBondContact NH1-OE1 3.04Å; R576-E592 IonicContact NH1-OE2 2.71Å; R576-E592 VanDerWaalsContact NH2-CD 3.3Å; R576-E592 IonicContact NH2-OE1 3.23Å; R576-E592 PolarHBondContact NH2-OE1 3.03Å; T588-E592 HydrophobicContact CG2-CG 4.43Å; T588-E592 WeakPolarHBondContact O-CG 3.43Å; T588-E592 PolarHBondContact O-N 3.03Å; R589-E592 PolarHBondContact O-N 3.35Å; R589-E592 VanDerWaalsContact O-N 3.08Å; E592-K594 PolarHBondContact O-N 2.91Å; E592-L595 WeakPolarHBondContact O-CB 3.13Å; E592-L595 PolarHBondContact O-N 3.46Å
593E95.9Very high91.8Very high134 Ų13458.5 Ų58.563%0.62628%0.282SS*.THydrogen-bonded Turntrans-57.2-19.1172.5-74175.7-151.500113.4R589R589-E593 IonicContact NE-OE1 2.75Å; R589-E593 WeakPolarHBondContact O-CG 3.44Å; R589-E593 PolarHBondContact O-N 2.82Å
594K95.7Very high92.1Very high51 Ų5160.9 Ų60.922%0.22229%0.294CS..THydrogen-bonded Turntrans-110.1-0.1175.9-68.6-51.3-166179.10114.5I475 L479 F591 E592 E597 L598I475-K594 HydrophobicContact CG2-CB 3.99Å; I475-K594 HydrophobicContact CG2-CD 4.23Å; I475-K594 HydrophobicContact CG2-CG 4.07Å; L479-K594 HydrophobicContact CD1-CB 4.29Å; L479-K594 HydrophobicContact CD2-CG 4Å; L479-K594 HydrophobicContact CG-CG 4.44Å; F591-K594 CarbonylContact O-C 3.52Å; F591-K594 WeakPolarHBondContact O-CA 3.4Å; F591-K594 PolarHBondContact O-N 2.9Å; E592-K594 PolarHBondContact O-N 2.91Å; K594-E597 WeakPolarHBondContact CD-OE2 3.4Å; K594-E597 WeakPolarHBondContact CE-OE2 3.26Å; K594-E597 IonicContact NZ-OE2 2.72Å; K594-E597 PolarHBondContact NZ-OE2 2.73Å; K594-E597 PolarHBondContact O-N 3.01Å; K594-L598 HydrophobicContact CB-CD1 4.31Å; K594-L598 WeakPolarHBondContact O-CB 3.41Å; K594-L598 WeakPolarHBondContact O-CD1 3.23Å; K594-L598 WeakPolarHBondContact O-CG 3.5Å; K594-L598 PolarHBondContact O-N 3.32Å
595L94.5Very high92.2Very high41 Ų4164.6 Ų64.622%0.21532%0.32CS..Hα-helixtrans-67.7-45.5-172.2-173.556.4000112.2L565 K569 F591 E592 E597 L598 E599L565-L595 HydrophobicContact CD1-CD1 3.99Å; K569-L595 HydrophobicContact CG-CD1 4.37Å; F591-L595 HydrophobicContact CE1-CD1 4.01Å; F591-L595 HydrophobicContact CZ-CD1 3.89Å; F591-L595 PolarHBondContact O-N 3.33Å; E592-L595 WeakPolarHBondContact O-CB 3.13Å; E592-L595 PolarHBondContact O-N 3.46Å; L595-E597 PolarHBondContact O-N 2.84Å; L595-L598 PolarHBondContact O-N 2.88Å; L595-E599 HydrophobicContact CD1-CG 4.42Å; L595-E599 WeakPolarHBondContact O-CB 3.17Å; L595-E599 WeakPolarHBondContact O-CG 3.28Å; L595-E599 PolarHBondContact O-N 2.83Å
596E95Very high92.2Very high150 Ų15064.7 Ų64.770%0.70133%0.331SS*.Hα-helixtrans-62.7-39.7176.8-175.6-179.7-178.400112.1E599 N600E596-E599 PolarHBondContact O-N 2.71Å; E596-N600 WeakPolarHBondContact O-CB 3.27Å; E596-N600 PolarHBondContact O-N 2.82Å; E596-N600 PolarHBondContact O-ND2 3.18Å
597E95Very high92.2Very high79 Ų7962.6 Ų62.637%0.36932%0.319SS..Hα-helixtrans-64.5-43.9176.2-163.1-174.1160.500111.1I475 K594 L595 V601I475-E597 HydrophobicContact CD1-CB 4.35Å; I475-E597 HydrophobicContact CD1-CG 3.71Å; I475-E597 WeakPolarHBondContact CD1-OE1 3.26Å; I475-E597 WeakPolarHBondContact CG1-OE1 3.42Å; K594-E597 WeakPolarHBondContact CD-OE2 3.4Å; K594-E597 WeakPolarHBondContact CE-OE2 3.26Å; K594-E597 IonicContact NZ-OE2 2.72Å; K594-E597 PolarHBondContact NZ-OE2 2.73Å; K594-E597 PolarHBondContact O-N 3.01Å; L595-E597 PolarHBondContact O-N 2.84Å; E597-V601 WeakPolarHBondContact O-CB 3.25Å; E597-V601 VanDerWaalsContact O-CG2 3.27Å; E597-V601 WeakPolarHBondContact O-CG2 3.34Å; E597-V601 PolarHBondContact O-N 3.18Å; E597-V601 VanDerWaalsContact O-N 3.08Å
598L95.1Very high92Very high0 Ų068.5 Ų68.50%035%0.347CS..Hα-helixtrans-66.3-38.9176.3-70.7166.7000112.4F472 I475 I476 L565 F591 K594 L595 S602F472-L598 HydrophobicContact CD2-CD2 3.58Å; F472-L598 HydrophobicContact CE2-CD2 3.75Å; F472-L598 HydrophobicContact CG-CD2 4.27Å; I475-L598 HydrophobicContact CB-CD2 3.85Å; I475-L598 HydrophobicContact CD1-CD2 3.97Å; I475-L598 HydrophobicContact CD1-CG 4.45Å; I475-L598 HydrophobicContact CG2-CD1 4.36Å; I475-L598 HydrophobicContact CG2-CD2 3.7Å; I475-L598 HydrophobicContact CG2-CG 3.92Å; I476-L598 HydrophobicContact CD1-CD1 3.8Å; I476-L598 HydrophobicContact CD1-CD2 3.79Å; I476-L598 HydrophobicContact CD1-CG 4.49Å; I476-L598 HydrophobicContact CG1-CD2 4.07Å; L565-L598 HydrophobicContact CD1-CB 3.87Å; L565-L598 HydrophobicContact CD1-CD1 4.2Å; L565-L598 HydrophobicContact CD2-CB 4.19Å; F591-L598 HydrophobicContact CD2-CD1 4.31Å; F591-L598 HydrophobicContact CE2-CD1 3.84Å; K594-L598 HydrophobicContact CB-CD1 4.31Å; K594-L598 WeakPolarHBondContact O-CB 3.41Å; K594-L598 WeakPolarHBondContact O-CD1 3.23Å; K594-L598 WeakPolarHBondContact O-CG 3.5Å; K594-L598 PolarHBondContact O-N 3.32Å; L595-L598 PolarHBondContact O-N 2.88Å; L598-S602 WeakPolarHBondContact O-CB 3.33Å; L598-S602 PolarHBondContact O-N 2.82Å; L598-S602 PolarHBondContact O-OG 3.05Å
599E94.8Very high92.1Very high72 Ų7268.7 Ų68.734%0.33635%0.348SS..Hα-helixtrans-63-53176.7-78.4-177.9179.300111.1L565 K569 L595 E596 V601 S602 M603L565-E599 HydrophobicContact CD2-CB 4.38Å; L565-E599 HydrophobicContact CD2-CG 3.71Å; K569-E599 WeakPolarHBondContact CE-OE1 3.43Å; K569-E599 IonicContact NZ-OE1 2.71Å; K569-E599 PolarHBondContact NZ-OE1 2.89Å; L595-E599 HydrophobicContact CD1-CG 4.42Å; L595-E599 WeakPolarHBondContact O-CB 3.17Å; L595-E599 WeakPolarHBondContact O-CG 3.28Å; L595-E599 PolarHBondContact O-N 2.83Å; E596-E599 PolarHBondContact O-N 2.71Å; E599-V601 PolarHBondContact O-N 2.88Å; E599-S602 PolarHBondContact O-N 3.23Å; E599-S602 PolarHBondContact O-OG 2.96Å; E599-M603 WeakPolarHBondContact O-CG 3.21Å; E599-M603 PolarHBondContact O-N 2.94Å; E599-M603 VanDerWaalsContact O-N 3.11Å
600N93.8Very high92.2Very high101 Ų10165.4 Ų65.454%0.5434%0.341SS..Hα-helixtrans-55.8-48.4177.4-77.8-57.7000111.8E596 S602 M603 D604E596-N600 WeakPolarHBondContact O-CB 3.27Å; E596-N600 PolarHBondContact O-N 2.82Å; E596-N600 PolarHBondContact O-ND2 3.18Å; N600-S602 VanDerWaalsContact C-N 3.29Å; N600-S602 PolarHBondContact O-N 2.85Å; N600-M603 PolarHBondContact O-N 2.88Å; N600-D604 PolarHBondContact O-N 3.1Å; N600-D604 VanDerWaalsContact O-N 3.16Å
601V93.4Very high92.3Very high19 Ų1963.6 Ų63.612%0.11533%0.331CS..Hα-helixtrans-62.5-34.7176.3168.70000112.3T471 F472 I475 M561 E597 E599 M603 N607T471-V601 HydrophobicContact CG2-CG1 4.49Å; T471-V601 HydrophobicContact CG2-CG2 3.82Å; F472-V601 HydrophobicContact CB-CG1 3.97Å; I475-V601 HydrophobicContact CD1-CG2 4.28Å; M561-V601 HydrophobicContact SD-CG1 3.79Å; E597-V601 WeakPolarHBondContact O-CB 3.25Å; E597-V601 VanDerWaalsContact O-CG2 3.27Å; E597-V601 WeakPolarHBondContact O-CG2 3.34Å; E597-V601 PolarHBondContact O-N 3.18Å; E597-V601 VanDerWaalsContact O-N 3.08Å; E599-V601 PolarHBondContact O-N 2.88Å; V601-M603 VanDerWaalsContact C-N 3.34Å; V601-N607 PolarHBondContact O-ND2 2.79Å
602S91Very high92.3Very high22 Ų2263.8 Ų63.815%0.15433%0.332CS..Hα-helixtrans-75.7-19-178.9760000114.9L598 E599 N600L598-S602 WeakPolarHBondContact O-CB 3.33Å; L598-S602 PolarHBondContact O-N 2.82Å; L598-S602 PolarHBondContact O-OG 3.05Å; E599-S602 PolarHBondContact O-N 3.23Å; E599-S602 PolarHBondContact O-OG 2.96Å; N600-S602 VanDerWaalsContact C-N 3.29Å; N600-S602 PolarHBondContact O-N 2.85Å
603M88.4Confident92.3Very high136 Ų13667.6 Ų67.667%0.6734%0.343SS*.Hα-helixtrans-103.8-13.1-178.3-64.6-66.6-70.900113.3E599 N600 V601 P605E599-M603 WeakPolarHBondContact O-CG 3.21Å; E599-M603 PolarHBondContact O-N 2.94Å; E599-M603 VanDerWaalsContact O-N 3.11Å; N600-M603 PolarHBondContact O-N 2.88Å; V601-M603 VanDerWaalsContact C-N 3.34Å; M603-P605 WeakPolarHBondContact O-CD 3.19Å
604D89.7Confident92.3Very high68 Ų6863.9 Ų63.936%0.36433%0.327SS..  trans-67116.7175.3170.76.2000111.7N600 S606 N607N600-D604 PolarHBondContact O-N 3.1Å; N600-D604 VanDerWaalsContact O-N 3.16Å; D604-S606 PolarHBondContact O-N 2.8Å; D604-S606 VanDerWaalsContact O-N 3.13Å; D604-S606 VanDerWaalsContact OD1-CB 3.3Å; D604-S606 WeakPolarHBondContact OD1-CB 3.43Å; D604-S606 PolarHBondContact OD1-N 2.66Å; D604-S606 PolarHBondContact OD1-OG 2.74Å; D604-S606 PolarHBondContact OD2-OG 2.79Å; D604-N607 WeakPolarHBondContact CB-ND2 3.27Å; D604-N607 PolarHBondContact O-N 2.69Å; D604-N607 VanDerWaalsContact O-N 3.07Å; D604-N607 PolarHBondContact OD2-ND2 2.6Å
605P85.6Confident92.4Very high99 Ų9961.4 Ų61.464%0.64332%0.317SS*.G310 helixtrans-61-20.7-179.7-2435.1000114.7M603 N607 E608M603-P605 WeakPolarHBondContact O-CD 3.19Å; P605-N607 PolarHBondContact O-N 2.76Å; P605-E608 WeakPolarHBondContact O-CG 3.36Å; P605-E608 PolarHBondContact O-N 2.66Å
606S86.9Confident92.5Very high93 Ų9361.7 Ų61.765%0.6532%0.315SS*.G310 helixtrans-69.5-16.8176.878.50000113.2D604D604-S606 PolarHBondContact O-N 2.8Å; D604-S606 VanDerWaalsContact O-N 3.13Å; D604-S606 VanDerWaalsContact OD1-CB 3.3Å; D604-S606 WeakPolarHBondContact OD1-CB 3.43Å; D604-S606 PolarHBondContact OD1-N 2.66Å; D604-S606 PolarHBondContact OD1-OG 2.74Å; D604-S606 PolarHBondContact OD2-OG 2.79Å
607N87.4Confident92.6Very high14 Ų1457.7 Ų57.78%0.07530%0.298CS..G310 helixtrans-93.413.8178-65.4-58.6000114.1R467 M561 V601 D604 P605R467-N607 PolarHBondContact NE-O 2.78Å; M561-N607 HydrophobicContact CE-CB 3.83Å; M561-N607 HydrophobicContact SD-CB 3.84Å; V601-N607 PolarHBondContact O-ND2 2.79Å; D604-N607 WeakPolarHBondContact CB-ND2 3.27Å; D604-N607 PolarHBondContact O-N 2.69Å; D604-N607 VanDerWaalsContact O-N 3.07Å; D604-N607 PolarHBondContact OD2-ND2 2.6Å; P605-N607 PolarHBondContact O-N 2.76Å
608E86.8Confident92.6Very high125 Ų12554.1 Ų54.158%0.58428%0.282SS*.  trans-48.8147.3171.2-87.6-175.4-169.600112.6P605 P610P605-E608 WeakPolarHBondContact O-CG 3.36Å; P605-E608 PolarHBondContact O-N 2.66Å; E608-P610 WeakPolarHBondContact O-CD 3.35Å
609N92.6Very high92.7Very high5 Ų554.1 Ų54.13%0.02728%0.282CS..  trans-86.7119179.3-161.8-25.9000110.1R467 E557 A559 K611 L612 R613R467-N609 PolarHBondContact NH1-ND2 3.34Å; E557-N609 PolarHBondContact O-ND2 2.78Å; A559-N609 PolarHBondContact O-ND2 3.32Å; N609-K611 PolarHBondContact O-N 3.3Å; N609-K611 WeakPolarHBondContact OD1-CB 3.2Å; N609-K611 PolarHBondContact OD1-N 2.85Å; N609-L612 HydrophobicContact CB-CB 4.09Å; N609-L612 HydrophobicContact CB-CD1 3.9Å; N609-L612 HydrophobicContact CB-CG 3.83Å; N609-L612 PolarHBondContact O-N 2.83Å; N609-R613 PolarHBondContact O-N 3.42Å; N609-R613 VanDerWaalsContact O-N 3.07Å
610P93.5Very high92.7Very high40 Ų4054.7 Ų54.726%0.2628%0.284SS..Hα-helixtrans-57.5-35.1177-22.732.2000112.5E465 E608 L612 R613 D614E465-P610 WeakPolarHBondContact O-CB 3.44Å; E608-P610 WeakPolarHBondContact O-CD 3.35Å; P610-L612 VanDerWaalsContact C-N 3.29Å; P610-L612 PolarHBondContact O-N 3.29Å; P610-R613 WeakPolarHBondContact O-CB 3.33Å; P610-R613 PolarHBondContact O-N 3.11Å; P610-R613 VanDerWaalsContact O-N 3.09Å; P610-D614 PolarHBondContact O-N 3.15Å
611K94.9Very high92.7Very high1 Ų154.5 Ų54.50%0.00428%0.28CS..Hα-helixtrans-57.7-40.3174.8-59.4172.5-178.8161.10112.6V464 E557 D558 N609 L615 Y716 L742 S744V464-K611 HydrophobicContact CG2-CB 4.42Å; V464-K611 HydrophobicContact CG2-CG 3.82Å; E557-K611 PolarHBondContact O-NZ 3.16Å; E557-K611 IonicContact OE1-NZ 2.68Å; E557-K611 PolarHBondContact OE1-NZ 2.81Å; D558-K611 IonicContact OD1-NZ 3.41Å; D558-K611 PolarHBondContact OD1-NZ 3.19Å; N609-K611 PolarHBondContact O-N 3.3Å; N609-K611 WeakPolarHBondContact OD1-CB 3.2Å; N609-K611 PolarHBondContact OD1-N 2.85Å; K611-L615 VanDerWaalsContact O-CB 3.29Å; K611-L615 WeakPolarHBondContact O-CB 3.4Å; K611-L615 PolarHBondContact O-N 3.08Å; K611-Y716 HydrophobicContact CB-CE2 4.08Å; K611-Y716 VanDerWaalsContact CB-OH 3.26Å; K611-Y716 WeakPolarHBondContact CB-OH 3.13Å; K611-L742 HydrophobicContact CB-CD2 4.27Å; K611-S744 WeakPolarHBondContact CE-OG 3.34Å
612L95.3Very high92.7Very high7 Ų754.6 Ų54.64%0.03728%0.28CS..Hα-helixtrans-73.8-33.4177-65.4-179.5000111.6Q560 N609 P610 L615 Y616 L644 W647 Y716Q560-L612 HydrophobicContact CG-CD1 3.63Å; N609-L612 HydrophobicContact CB-CB 4.09Å; N609-L612 HydrophobicContact CB-CD1 3.9Å; N609-L612 HydrophobicContact CB-CG 3.83Å; N609-L612 PolarHBondContact O-N 2.83Å; P610-L612 VanDerWaalsContact C-N 3.29Å; P610-L612 PolarHBondContact O-N 3.29Å; L612-L615 HydrophobicContact CD2-CD2 4.35Å; L612-L615 PolarHBondContact O-N 3.2Å; L612-Y616 VanDerWaalsContact O-CB 3.23Å; L612-Y616 WeakPolarHBondContact O-CB 3.24Å; L612-Y616 PolarHBondContact O-N 2.94Å; L612-L644 HydrophobicContact CD2-CD2 3.38Å; L612-W647 HydrophobicContact CB-CH2 4.41Å; L612-W647 HydrophobicContact CB-CZ2 3.88Å; L612-W647 HydrophobicContact CD1-CD2 4.37Å; L612-W647 HydrophobicContact CD1-CG 4.31Å; L612-W647 HydrophobicContact CD2-CD2 4.11Å; L612-W647 HydrophobicContact CD2-CE3 4.1Å; L612-W647 HydrophobicContact CD2-CH2 4.49Å; L612-W647 HydrophobicContact CD2-CZ2 4.49Å; L612-W647 HydrophobicContact CD2-CZ3 4.32Å; L612-W647 WeakPolarHBondContact O-CH2 3.16Å; L612-W647 WeakPolarHBondContact O-CZ2 3.1Å; L612-Y716 WeakPolarHBondContact CD2-OH 3.41Å
613R94.1Very high92.8Very high163 Ų16354 Ų5462%0.61527%0.274SS*.Hα-helixtrans-65.7-45.5174.4-178.9175.5171.9170.9-1.5112N609 P610 Y616 L617N609-R613 PolarHBondContact O-N 3.42Å; N609-R613 VanDerWaalsContact O-N 3.07Å; P610-R613 WeakPolarHBondContact O-CB 3.33Å; P610-R613 PolarHBondContact O-N 3.11Å; P610-R613 VanDerWaalsContact O-N 3.09Å; R613-Y616 WeakPolarHBondContact O-CB 3.44Å; R613-Y616 PolarHBondContact O-N 3.41Å; R613-L617 WeakPolarHBondContact O-CG 3.39Å; R613-L617 PolarHBondContact O-N 3.07Å
614D96.1Very high93.1Very high55 Ų5555.2 Ų55.229%0.29428%0.277SS..Hα-helixtrans-67.8-36.5174.2-81.3-76.1000112.3V464 P610 L617 I618 L742V464-D614 HydrophobicContact CG1-CB 3.62Å; V464-D614 VanDerWaalsContact CG1-CG 3.48Å; V464-D614 WeakPolarHBondContact CG1-OD2 3.37Å; P610-D614 PolarHBondContact O-N 3.15Å; D614-L617 PolarHBondContact O-N 3.37Å; D614-I618 VanDerWaalsContact O-CG1 3.32Å; D614-I618 WeakPolarHBondContact O-CG1 3.43Å; D614-I618 PolarHBondContact O-N 3.02Å; D614-L742 HydrophobicContact CB-CD1 3.7Å
615L97.1Very high93.2Very high0 Ų057.7 Ų57.70%029%0.29CS..Hα-helixtrans-61.5-44.2171.2176.961.1000111.5K611 L612 I618 L619 L633 L644 W647 I714 Y716 L742K611-L615 VanDerWaalsContact O-CB 3.29Å; K611-L615 WeakPolarHBondContact O-CB 3.4Å; K611-L615 PolarHBondContact O-N 3.08Å; L612-L615 HydrophobicContact CD2-CD2 4.35Å; L612-L615 PolarHBondContact O-N 3.2Å; L615-I618 PolarHBondContact O-N 3.44Å; L615-L619 HydrophobicContact CD1-CD1 4.12Å; L615-L619 HydrophobicContact CD1-CG 4.37Å; L615-L619 HydrophobicContact CG-CD1 4.06Å; L615-L619 VanDerWaalsContact O-CG 3.3Å; L615-L619 WeakPolarHBondContact O-CG 3.33Å; L615-L619 PolarHBondContact O-N 2.71Å; L615-L633 HydrophobicContact CD1-CD1 4.08Å; L615-L633 HydrophobicContact CD2-CD2 4.39Å; L615-L644 HydrophobicContact CD2-CD1 4.25Å; L615-W647 HydrophobicContact CB-CH2 4.33Å; L615-W647 HydrophobicContact CD2-CE3 4.43Å; L615-W647 HydrophobicContact CD2-CH2 4.07Å; L615-W647 HydrophobicContact CD2-CZ3 3.57Å; L615-W647 HydrophobicContact CG-CH2 4.07Å; L615-W647 HydrophobicContact CG-CZ3 3.98Å; L615-I714 HydrophobicContact CD1-CD1 3.82Å; L615-I714 HydrophobicContact CD1-CG2 4.01Å; L615-Y716 HydrophobicContact CB-CD2 4.39Å; L615-Y716 HydrophobicContact CB-CE2 4.18Å; L615-Y716 HydrophobicContact CD1-CD2 4.41Å; L615-Y716 HydrophobicContact CD2-CD2 3.83Å; L615-Y716 HydrophobicContact CD2-CE2 3.84Å; L615-Y716 HydrophobicContact CG-CD2 4.44Å; L615-L742 HydrophobicContact CB-CD1 4.48Å
616Y96.5Very high93.4Very high47 Ų4756.2 Ų56.218%0.18427%0.274CS..Hα-helixtrans-59.3-45.8174164.5-89000111.5L612 R613 I618 L619 Q620 A653 L654L612-Y616 VanDerWaalsContact O-CB 3.23Å; L612-Y616 WeakPolarHBondContact O-CB 3.24Å; L612-Y616 PolarHBondContact O-N 2.94Å; R613-Y616 WeakPolarHBondContact O-CB 3.44Å; R613-Y616 PolarHBondContact O-N 3.41Å; Y616-I618 PolarHBondContact O-N 3.29Å; Y616-L619 PolarHBondContact O-N 3.02Å; Y616-Q620 HydrophobicContact CE1-CB 4.44Å; Y616-Q620 VanDerWaalsContact CZ-OE1 3.27Å; Y616-Q620 WeakPolarHBondContact O-CB 3.43Å; Y616-Q620 PolarHBondContact O-N 2.74Å; Y616-Q620 PolarHBondContact OH-NE2 3.03Å; Y616-Q620 PolarHBondContact OH-OE1 2.69Å; Y616-A653 HydrophobicContact CE2-CB 3.66Å; Y616-L654 HydrophobicContact CD2-CD1 4.07Å; Y616-L654 HydrophobicContact CD2-CD2 3.65Å; Y616-L654 HydrophobicContact CD2-CG 3.74Å; Y616-L654 HydrophobicContact CE2-CD2 3.89Å; Y616-L654 HydrophobicContact CE2-CG 4.07Å
617L96Very high93.5Very high65 Ų6556.2 Ų56.234%0.3427%0.272SS..Hα-helixtrans-61.8-44.4178.4-72.6171.1000111.7R613 D614 L619 Q620 E621R613-L617 WeakPolarHBondContact O-CG 3.39Å; R613-L617 PolarHBondContact O-N 3.07Å; D614-L617 PolarHBondContact O-N 3.37Å; L617-L619 VanDerWaalsContact C-N 3.35Å; L617-L619 PolarHBondContact O-N 2.69Å; L617-Q620 PolarHBondContact O-N 3.36Å; L617-E621 WeakPolarHBondContact O-CB 3.35Å; L617-E621 WeakPolarHBondContact O-CG 3.29Å; L617-E621 PolarHBondContact O-N 2.86Å
618I95.9Very high93.5Very high4 Ų461.4 Ų61.42%0.02130%0.295CS..Hα-helixtrans-61.4-43.2175.9-66.6163.8000111R462 D614 L615 Y616 E622 I714 F740 L742R462-I618 HydrophobicContact CG-CD1 4.11Å; D614-I618 VanDerWaalsContact O-CG1 3.32Å; D614-I618 WeakPolarHBondContact O-CG1 3.43Å; D614-I618 PolarHBondContact O-N 3.02Å; L615-I618 PolarHBondContact O-N 3.44Å; Y616-I618 PolarHBondContact O-N 3.29Å; I618-E622 HydrophobicContact CG2-CG 4.37Å; I618-E622 WeakPolarHBondContact O-CB 3.13Å; I618-E622 VanDerWaalsContact O-CG 3.23Å; I618-E622 WeakPolarHBondContact O-CG 3.35Å; I618-E622 PolarHBondContact O-N 2.97Å; I618-E622 VanDerWaalsContact O-N 3.12Å; I618-I714 HydrophobicContact CG2-CD1 4.02Å; I618-F740 HydrophobicContact CD1-CD1 3.91Å; I618-F740 HydrophobicContact CD1-CE1 4.32Å; I618-F740 HydrophobicContact CD1-CG 4.32Å; I618-F740 HydrophobicContact CG1-CD1 4.34Å; I618-F740 HydrophobicContact CG1-CE1 4.26Å; I618-F740 HydrophobicContact CG2-CD1 4.41Å; I618-F740 HydrophobicContact CG2-CD2 3.99Å; I618-F740 HydrophobicContact CG2-CE1 4.38Å; I618-F740 HydrophobicContact CG2-CE2 3.95Å; I618-F740 HydrophobicContact CG2-CG 4.21Å; I618-F740 HydrophobicContact CG2-CZ 4.14Å; I618-L742 HydrophobicContact CD1-CD1 3.64Å
619L96.6Very high93.7Very high0 Ų055.7 Ų55.70%027%0.269CS..Hα-helixtrans-66.3-41.5177.4-69.3168.5000111.5L615 Y616 L617 Y623 T631 L654 L657 I694 L712 I714L615-L619 HydrophobicContact CD1-CD1 4.12Å; L615-L619 HydrophobicContact CD1-CG 4.37Å; L615-L619 HydrophobicContact CG-CD1 4.06Å; L615-L619 VanDerWaalsContact O-CG 3.3Å; L615-L619 WeakPolarHBondContact O-CG 3.33Å; L615-L619 PolarHBondContact O-N 2.71Å; Y616-L619 PolarHBondContact O-N 3.02Å; L617-L619 VanDerWaalsContact C-N 3.35Å; L617-L619 PolarHBondContact O-N 2.69Å; L619-Y623 HydrophobicContact CD2-CE2 4.15Å; L619-Y623 WeakPolarHBondContact O-CB 3.2Å; L619-Y623 VanDerWaalsContact O-CD2 3.26Å; L619-Y623 WeakPolarHBondContact O-CD2 3.43Å; L619-Y623 PolarHBondContact O-N 2.99Å; L619-T631 HydrophobicContact CD2-CG2 4.32Å; L619-L654 HydrophobicContact CB-CD2 4.23Å; L619-L654 HydrophobicContact CD1-CD1 4.47Å; L619-L657 HydrophobicContact CB-CD1 4.45Å; L619-L657 HydrophobicContact CD1-CD1 3.98Å; L619-L657 HydrophobicContact CD2-CD1 4.32Å; L619-L657 HydrophobicContact CG-CD1 4.48Å; L619-I694 HydrophobicContact CD1-CD1 4.47Å; L619-I694 HydrophobicContact CD2-CD1 3.82Å; L619-L712 HydrophobicContact CD2-CD2 4.46Å; L619-I714 HydrophobicContact CD2-CD1 3.91Å; L619-I714 HydrophobicContact CG-CD1 4.34Å
620Q95.4Very high93.6Very high84 Ų8457.1 Ų57.139%0.39328%0.275SS..Hα-helixtrans-66.5-46.5177.8-168.2-179.61600111.8Y616 L617 H624Y616-Q620 HydrophobicContact CE1-CB 4.44Å; Y616-Q620 VanDerWaalsContact CZ-OE1 3.27Å; Y616-Q620 WeakPolarHBondContact O-CB 3.43Å; Y616-Q620 PolarHBondContact O-N 2.74Å; Y616-Q620 PolarHBondContact OH-NE2 3.03Å; Y616-Q620 PolarHBondContact OH-OE1 2.69Å; L617-Q620 PolarHBondContact O-N 3.36Å; Q620-H624 WeakPolarHBondContact O-CB 3.38Å; Q620-H624 PolarHBondContact O-N 3.44Å
621E94Very high93.7Very high98 Ų9855.2 Ų55.246%0.45826%0.263SS..Hα-helixtrans-60.3-51.6179.1-76.3179.6177.200111.7L617 H624 L625L617-E621 WeakPolarHBondContact O-CB 3.35Å; L617-E621 WeakPolarHBondContact O-CG 3.29Å; L617-E621 PolarHBondContact O-N 2.86Å; E621-H624 PolarHBondContact O-N 3.23Å; E621-L625 VanDerWaalsContact O-CG 3.28Å; E621-L625 WeakPolarHBondContact O-CG 3.38Å; E621-L625 PolarHBondContact O-N 3.26Å; E621-L625 VanDerWaalsContact O-N 3.12Å
622E93.6Very high93.6Very high21 Ų2155.2 Ų55.210%0.09826%0.262CS..Hα-helixtrans-70.6-39.7-173.3-61.9-67.1165.800112.5I618 L625 K626 L712 K738 F740I618-E622 HydrophobicContact CG2-CG 4.37Å; I618-E622 WeakPolarHBondContact O-CB 3.13Å; I618-E622 VanDerWaalsContact O-CG 3.23Å; I618-E622 WeakPolarHBondContact O-CG 3.35Å; I618-E622 PolarHBondContact O-N 2.97Å; I618-E622 VanDerWaalsContact O-N 3.12Å; E622-L625 PolarHBondContact O-N 2.89Å; E622-K626 PolarHBondContact O-N 2.88Å; E622-L712 HydrophobicContact CB-CD2 3.89Å; E622-L712 HydrophobicContact CG-CD1 4.02Å; E622-L712 HydrophobicContact CG-CD2 3.94Å; E622-K738 WeakPolarHBondContact OE1-CD 3.45Å; E622-K738 WeakPolarHBondContact OE1-CE 3.26Å; E622-K738 IonicContact OE1-NZ 3.66Å; E622-K738 PolarHBondContact OE1-NZ 2.98Å; E622-K738 WeakPolarHBondContact OE2-CD 3.37Å; E622-K738 IonicContact OE2-NZ 3.94Å; E622-K738 PolarHBondContact OE2-NZ 2.78Å; E622-F740 HydrophobicContact CG-CE2 4.41Å
623Y93.4Very high93.7Very high9 Ų954.9 Ų54.94%0.03526%0.261CS..Hα-helixtrans-76.5-25.9176.4-78.6-101.6000113.3L619 L625 K626 P627 T629 T631 F656 L657 N693L619-Y623 HydrophobicContact CD2-CE2 4.15Å; L619-Y623 WeakPolarHBondContact O-CB 3.2Å; L619-Y623 VanDerWaalsContact O-CD2 3.26Å; L619-Y623 WeakPolarHBondContact O-CD2 3.43Å; L619-Y623 PolarHBondContact O-N 2.99Å; Y623-L625 VanDerWaalsContact C-N 3.34Å; Y623-K626 CarbonylContact O-C 3.52Å; Y623-P627 VanDerWaalsContact O-CA 3.27Å; Y623-P627 WeakPolarHBondContact O-CA 3.17Å; Y623-P627 WeakPolarHBondContact O-CD 3.3Å; Y623-P627 WeakPolarHBondContact O-CG 3.37Å; Y623-P627 VanDerWaalsContact O-N 3.14Å; Y623-T629 HydrophobicContact CD2-CG2 4.1Å; Y623-T629 HydrophobicContact CE1-CG2 4.16Å; Y623-T629 WeakPolarHBondContact CE1-O 3.44Å; Y623-T629 HydrophobicContact CE2-CG2 3.65Å; Y623-T629 PolarHBondContact OH-O 2.92Å; Y623-T631 WeakPolarHBondContact CE2-OG1 3.41Å; Y623-T631 WeakPolarHBondContact OH-CB 3.44Å; Y623-T631 PolarHBondContact OH-OG1 3.15Å; Y623-F656 VanDerWaalsContact CB-CE2 3.44Å; Y623-F656 AromaticContact CD1-CD2 3.97Å; Y623-F656 HydrophobicContact CD1-CD2 3.97Å; Y623-F656 AromaticContact CD1-CE2 3.91Å; Y623-F656 HydrophobicContact CD1-CE2 3.91Å; Y623-F656 HydrophobicContact CD2-CE2 4.06Å; Y623-F656 HydrophobicContact CG-CD2 4.08Å; Y623-F656 AromaticContact CG-CE2 3.54Å; Y623-F656 HydrophobicContact CG-CE2 3.54Å; Y623-L657 HydrophobicContact CD1-CD2 4.08Å; Y623-L657 HydrophobicContact CD2-CD2 4.14Å; Y623-L657 HydrophobicContact CE1-CD2 3.61Å; Y623-L657 HydrophobicContact CE2-CD2 3.68Å; Y623-L657 HydrophobicContact CG-CD2 4.32Å; Y623-N693 HydrophobicContact CE1-CB 4.21Å; Y623-N693 PolarHBondContact OH-O 2.89Å; Y623-N693 VanDerWaalsContact OH-O 3.11Å
624H93.4Very high93.7Very high161 Ų16147.1 Ų47.175%0.74523%0.231SC*.Hα-helixtrans-69.3-35.1170.9-175.369.4000111.7Q620 E621Q620-H624 WeakPolarHBondContact O-CB 3.38Å; Q620-H624 PolarHBondContact O-N 3.44Å; E621-H624 PolarHBondContact O-N 3.23Å
625L91.4Very high93.5Very high121 Ų12144.5 Ų44.563%0.63422%0.217SC*.Hα-helixtrans-75.7-37.2175.8-69.8170.6000113.3E621 E622 Y623E621-L625 VanDerWaalsContact O-CG 3.28Å; E621-L625 WeakPolarHBondContact O-CG 3.38Å; E621-L625 PolarHBondContact O-N 3.26Å; E621-L625 VanDerWaalsContact O-N 3.12Å; E622-L625 PolarHBondContact O-N 2.89Å; Y623-L625 VanDerWaalsContact C-N 3.34Å
626K89.9Confident92.9Very high67 Ų6749.4 Ų49.429%0.29124%0.239SC..  trans-143.888.5-179.6-70.9-171-178.3-177.60110.5E622 Y623 E628 T629 D736E622-K626 PolarHBondContact O-N 2.88Å; Y623-K626 CarbonylContact O-C 3.52Å; K626-E628 VanDerWaalsContact C-OE2 3.29Å; K626-E628 WeakPolarHBondContact CA-OE2 3.35Å; K626-E628 WeakPolarHBondContact CB-OE1 3.48Å; K626-E628 PolarHBondContact O-N 3.31Å; K626-E628 VanDerWaalsContact O-N 3.14Å; K626-T629 WeakPolarHBondContact O-CB 3.41Å; K626-T629 PolarHBondContact O-N 2.87Å; K626-T629 PolarHBondContact O-OG1 3.3Å; K626-D736 IonicContact NZ-OD2 2.63Å; K626-D736 PolarHBondContact NZ-OD2 3.3Å
627P89.3Confident92.2Very high94 Ų9449.7 Ų49.761%0.6125%0.245SC*.THydrogen-bonded Turntrans-59.9-23.1-177.9-25.635.1000114.7Y623 T629Y623-P627 VanDerWaalsContact O-CA 3.27Å; Y623-P627 WeakPolarHBondContact O-CA 3.17Å; Y623-P627 WeakPolarHBondContact O-CD 3.3Å; Y623-P627 WeakPolarHBondContact O-CG 3.37Å; Y623-P627 VanDerWaalsContact O-N 3.14Å; P627-T629 PolarHBondContact O-N 2.99Å
628E88.4Confident91.6Very high123 Ų12350.5 Ų50.558%0.57524%0.244SC*.THydrogen-bonded Turntrans-77.51.4175.377.5-70.7173.800114.4K626 K630K626-E628 VanDerWaalsContact C-OE2 3.29Å; K626-E628 WeakPolarHBondContact CA-OE2 3.35Å; K626-E628 WeakPolarHBondContact CB-OE1 3.48Å; K626-E628 PolarHBondContact O-N 3.31Å; K626-E628 VanDerWaalsContact O-N 3.14Å; E628-K630 PolarHBondContact O-N 3.39Å
629T89.8Confident90.8Very high4 Ų452 Ų523%0.02526%0.257CS..  trans-51.9129.1178.1-75.40000111.9Y623 K626 P627 N711 L712Y623-T629 HydrophobicContact CD2-CG2 4.1Å; Y623-T629 HydrophobicContact CE1-CG2 4.16Å; Y623-T629 WeakPolarHBondContact CE1-O 3.44Å; Y623-T629 HydrophobicContact CE2-CG2 3.65Å; Y623-T629 PolarHBondContact OH-O 2.92Å; K626-T629 WeakPolarHBondContact O-CB 3.41Å; K626-T629 PolarHBondContact O-N 2.87Å; K626-T629 PolarHBondContact O-OG1 3.3Å; P627-T629 PolarHBondContact O-N 2.99Å; T629-N711 HydrophobicContact CG2-CB 4.27Å; T629-L712 HydrophobicContact CG2-CB 3.98Å
630K92.1Very high90.4Very high36 Ų3652 Ų5216%0.15726%0.257CS..  trans-101.3128.8161-68.2-162.9171.4-166.10110.8E628 F686 R687 A688 N693 A708 C710 N711 L712E628-K630 PolarHBondContact O-N 3.39Å; K630-F686 HydrophobicContact CB-CE2 4.37Å; K630-F686 HydrophobicContact CB-CZ 4.06Å; K630-F686 PolarHBondContact NZ-O 3.26Å; K630-R687 PolarHBondContact NZ-O 3.02Å; K630-A688 PolarHBondContact NZ-O 2.88Å; K630-N693 WeakPolarHBondContact CA-O 3.43Å; K630-A708 HydrophobicContact CD-CB 4.4Å; K630-C710 WeakPolarHBondContact O-CA 3.29Å; K630-C710 WeakPolarHBondContact O-CB 3.22Å; K630-N711 PolarHBondContact N-OD1 3.21Å; K630-N711 PolarHBondContact O-N 3.37Å; K630-L712 PolarHBondContact O-N 3.33Å; K630-L712 VanDerWaalsContact O-N 3.16Å
631T94.2Very high90.2Very high0 Ų048 Ų480%024%0.239CC..EExtended strand (participates in β ladder)trans-114.2141-176.4-53.40000111.9L619 Y623 F686 N693 I694 L695 L712 I714L619-T631 HydrophobicContact CD2-CG2 4.32Å; Y623-T631 WeakPolarHBondContact CE2-OG1 3.41Å; Y623-T631 WeakPolarHBondContact OH-CB 3.44Å; Y623-T631 PolarHBondContact OH-OG1 3.15Å; T631-F686 WeakPolarHBondContact O-CE2 3.49Å; T631-F686 WeakPolarHBondContact O-CZ 3.47Å; T631-N693 PolarHBondContact N-O 3.5Å; T631-I694 HydrophobicContact CG2-CD1 3.81Å; T631-I694 HydrophobicContact CG2-CG1 3.94Å; T631-I694 WeakPolarHBondContact O-CA 3.48Å; T631-L695 PolarHBondContact O-N 3.2Å; T631-L712 CarbonylContact C-O 3.54Å; T631-L712 VanDerWaalsContact CA-O 3.29Å; T631-L712 WeakPolarHBondContact CA-O 3.46Å; T631-L712 HydrophobicContact CG2-CB 4.12Å; T631-L712 HydrophobicContact CG2-CD2 3.93Å; T631-L712 HydrophobicContact CG2-CG 4.01Å; T631-I714 HydrophobicContact CG2-CD1 4.13Å; T631-I714 HydrophobicContact CG2-CG1 4.26Å
632I94.1Very high89.9Confident0 Ų047.4 Ų47.40%024%0.238CC..EExtended strand (participates in β ladder)trans-119127.4162.1-172.7166.8000110.4F634 L695 A697 A701 I707 C710 L712 V713 I714 R731I632-F634 HydrophobicContact CB-CE2 4.38Å; I632-F634 HydrophobicContact CD1-CE2 3.68Å; I632-F634 HydrophobicContact CD1-CZ 3.68Å; I632-F634 HydrophobicContact CG1-CD2 4.12Å; I632-F634 HydrophobicContact CG1-CE2 3.69Å; I632-F634 HydrophobicContact CG1-CZ 4.17Å; I632-F634 HydrophobicContact CG2-CD2 4.44Å; I632-F634 HydrophobicContact CG2-CE2 3.85Å; I632-L695 WeakPolarHBondContact CA-O 3.36Å; I632-L695 HydrophobicContact CD1-CD2 4.44Å; I632-A697 HydrophobicContact CD1-CB 4.42Å; I632-A697 HydrophobicContact CG1-CB 4.39Å; I632-A701 HydrophobicContact CD1-CB 3.87Å; I632-I707 HydrophobicContact CD1-CD1 3.94Å; I632-C710 HydrophobicContact CG2-CB 4.2Å; I632-L712 PolarHBondContact N-O 3.24Å; I632-V713 HydrophobicContact CG2-CB 4.3Å; I632-V713 HydrophobicContact CG2-CG1 4.24Å; I632-V713 HydrophobicContact CG2-CG2 3.84Å; I632-I714 PolarHBondContact O-N 2.83Å; I632-R731 HydrophobicContact CG2-CB 4.22Å
633L95.9Very high89.7Confident0 Ų046.7 Ų46.70%024%0.236CC..EExtended strand (participates in β ladder)trans-114.7103.6-174.1174.960.1000109.2L615 L644 I694 L695 I696 A697 I714L615-L633 HydrophobicContact CD1-CD1 4.08Å; L615-L633 HydrophobicContact CD2-CD2 4.39Å; L633-L644 HydrophobicContact CD2-CD1 3.93Å; L633-L644 HydrophobicContact CG-CD1 4.49Å; L633-I694 HydrophobicContact CB-CD1 4.23Å; L633-I694 HydrophobicContact CB-CG1 4.4Å; L633-I694 HydrophobicContact CD2-CD1 4.21Å; L633-L695 PolarHBondContact N-O 3Å; L633-I696 HydrophobicContact CD2-CG1 4.27Å; L633-I696 HydrophobicContact CD2-CG2 4.19Å; L633-I696 HydrophobicContact CG-CG2 4.29Å; L633-I696 WeakPolarHBondContact O-CA 3.31Å; L633-A697 PolarHBondContact O-N 2.94Å; L633-I714 WeakPolarHBondContact CA-O 3.27Å; L633-I714 HydrophobicContact CD1-CB 3.74Å; L633-I714 HydrophobicContact CD1-CG2 3.67Å
634F94.4Very high89.8Confident0 Ų046.3 Ų46.30%024%0.235CC..EExtended strand (participates in β ladder)trans-86.9129.5-179.8-74.2-93.4000111.4I632 A697 A701 D702 V713 I714 L715 Y716 Y718 T728 R731I632-F634 HydrophobicContact CB-CE2 4.38Å; I632-F634 HydrophobicContact CD1-CE2 3.68Å; I632-F634 HydrophobicContact CD1-CZ 3.68Å; I632-F634 HydrophobicContact CG1-CD2 4.12Å; I632-F634 HydrophobicContact CG1-CE2 3.69Å; I632-F634 HydrophobicContact CG1-CZ 4.17Å; I632-F634 HydrophobicContact CG2-CD2 4.44Å; I632-F634 HydrophobicContact CG2-CE2 3.85Å; F634-A697 WeakPolarHBondContact CA-O 3.41Å; F634-A701 HydrophobicContact CE1-CB 3.65Å; F634-A701 HydrophobicContact CZ-CB 3.88Å; F634-D702 WeakPolarHBondContact CE1-OD1 3.41Å; F634-V713 HydrophobicContact CD2-CG1 4.17Å; F634-V713 HydrophobicContact CE2-CG1 4.17Å; F634-I714 PolarHBondContact N-O 3.28Å; F634-L715 HydrophobicContact CB-CD2 3.88Å; F634-L715 HydrophobicContact CD2-CD2 3.76Å; F634-L715 HydrophobicContact CG-CD2 4Å; F634-Y716 PolarHBondContact O-N 2.85Å; F634-Y718 HydrophobicContact CB-CD1 3.87Å; F634-Y718 HydrophobicContact CB-CE1 4.2Å; F634-Y718 HydrophobicContact CB-CG 4.08Å; F634-Y718 HydrophobicContact CD1-CE1 4.13Å; F634-Y718 HydrophobicContact CG-CE1 4.43Å; F634-T728 HydrophobicContact CD1-CG2 4.24Å; F634-T728 HydrophobicContact CE1-CG2 3.74Å; F634-T728 HydrophobicContact CE2-CG2 4.23Å; F634-T728 HydrophobicContact CZ-CG2 3.75Å; F634-R731 HydrophobicContact CZ-CG 4.35Å
635V91.9Very high89.8Confident0 Ų041.3 Ų41.30%021%0.211CC..  trans-130.3157.8177.4-64.70000112.7L640 V641 L644 I696 A697 Y716V635-L640 HydrophobicContact CB-CB 4.21Å; V635-L640 HydrophobicContact CG2-CB 4.3Å; V635-V641 HydrophobicContact CG2-CB 4.36Å; V635-V641 HydrophobicContact CG2-CG2 3.3Å; V635-L644 HydrophobicContact CG1-CD1 3.64Å; V635-I696 HydrophobicContact CG2-CG2 4.49Å; V635-A697 PolarHBondContact N-O 2.94Å; V635-Y716 HydrophobicContact CG1-CD1 4.13Å
636K85.2Confident89.8Confident104 Ų10438.7 Ų38.745%0.45219%0.194SC..SBendtrans-64.8-40.4-178.9-73.2172.4168.4120.40114.5E717K636-E717 WeakPolarHBondContact CD-O 3.42Å; K636-E717 WeakPolarHBondContact CE-O 3.44Å; K636-E717 WeakPolarHBondContact CG-O 3.4Å; K636-E717 PolarHBondContact NZ-O 3.3Å; K636-E717 IonicContact NZ-OE2 2.73Å; K636-E717 PolarHBondContact NZ-OE2 3.06Å
637T82.4Confident90Very high52 Ų5236.3 Ų36.332%0.31918%0.184SC..  trans-133.9161.3-16676.30000112.4L640 V641T637-L640 PolarHBondContact O-N 3.19Å; T637-L640 WeakPolarHBondContact OG1-CG 3.49Å; T637-L640 PolarHBondContact OG1-N 3.25Å; T637-V641 PolarHBondContact O-N 3.05Å
638R81.9Confident90.3Very high82 Ų8232 Ų3231%0.30916%0.155SC..Hα-helixtrans-70.3-39.5176.3-59.9-170.6-162.9137.96.6112.6L640 V641 D642 T663 T672 T698R638-L640 PolarHBondContact O-N 3.16Å; R638-L640 VanDerWaalsContact O-N 3.17Å; R638-V641 WeakPolarHBondContact O-CA 3.39Å; R638-V641 VanDerWaalsContact O-CB 3.31Å; R638-V641 WeakPolarHBondContact O-CB 3.45Å; R638-V641 PolarHBondContact O-N 3.23Å; R638-D642 PolarHBondContact O-N 2.65Å; R638-D642 VanDerWaalsContact O-OD2 3.1Å; R638-T663 HydrophobicContact CB-CG2 4.37Å; R638-T663 HydrophobicContact CG-CG2 3.98Å; R638-T672 PolarHBondContact NH1-OG1 2.99Å; R638-T698 HydrophobicContact CG-CG2 4.19Å
639A80.6Confident90.6Very high36 Ų3631.4 Ų31.430%0.29815%0.153SC..Hα-helixtrans-56.9-33.1174.600000112.2I555 A643I555-A639 HydrophobicContact CD1-CB 3.91Å; I555-A639 HydrophobicContact CG1-CB 4.07Å; A639-A643 WeakPolarHBondContact O-CB 3.49Å; A639-A643 PolarHBondContact O-N 2.98Å
640L87.8Confident90.7Very high1 Ų135.3 Ų35.31%0.00517%0.17CC..Hα-helixtrans-75.2-28.4171.6-68.6174.3000113.6D558 A559 V635 T637 R638 L644D558-L640 HydrophobicContact CB-CD1 3.83Å; D558-L640 HydrophobicContact CB-CD2 3.7Å; D558-L640 HydrophobicContact CB-CG 4.44Å; A559-L640 HydrophobicContact CB-CD2 3.86Å; V635-L640 HydrophobicContact CB-CB 4.21Å; V635-L640 HydrophobicContact CG2-CB 4.3Å; T637-L640 PolarHBondContact O-N 3.19Å; T637-L640 WeakPolarHBondContact OG1-CG 3.49Å; T637-L640 PolarHBondContact OG1-N 3.25Å; R638-L640 PolarHBondContact O-N 3.16Å; R638-L640 VanDerWaalsContact O-N 3.17Å; L640-L644 VanDerWaalsContact O-CB 3.28Å; L640-L644 WeakPolarHBondContact O-CB 3.32Å; L640-L644 VanDerWaalsContact O-CG 3.24Å; L640-L644 WeakPolarHBondContact O-CG 2.91Å; L640-L644 PolarHBondContact O-N 2.86Å
641V90.8Very high90.7Very high0 Ų035.2 Ų35.20%017%0.172CC..Hα-helixtrans-62.9-49.3169.2174.80000109.9V635 T637 R638 K645 I661 T663 I696 T698V635-V641 HydrophobicContact CG2-CB 4.36Å; V635-V641 HydrophobicContact CG2-CG2 3.3Å; T637-V641 PolarHBondContact O-N 3.05Å; R638-V641 WeakPolarHBondContact O-CA 3.39Å; R638-V641 VanDerWaalsContact O-CB 3.31Å; R638-V641 WeakPolarHBondContact O-CB 3.45Å; R638-V641 PolarHBondContact O-N 3.23Å; V641-K645 VanDerWaalsContact O-CB 3.3Å; V641-K645 WeakPolarHBondContact O-CB 3.25Å; V641-K645 PolarHBondContact O-N 2.93Å; V641-I661 HydrophobicContact CG1-CB 3.73Å; V641-I661 HydrophobicContact CG1-CG2 3.45Å; V641-I661 VanDerWaalsContact CG1-CG2 3.45Å; V641-T663 HydrophobicContact CB-CG2 4.08Å; V641-T663 HydrophobicContact CG1-CG2 3.95Å; V641-T663 HydrophobicContact CG2-CG2 3.98Å; V641-I696 HydrophobicContact CB-CG2 4.29Å; V641-I696 HydrophobicContact CG1-CB 4.17Å; V641-I696 HydrophobicContact CG1-CG2 4.05Å; V641-I696 HydrophobicContact CG2-CG2 4.22Å; V641-T698 HydrophobicContact CG2-CG2 3.83Å
642D87.3Confident90.6Very high84 Ų8440.4 Ų40.445%0.44921%0.205SC..Hα-helixtrans-67.7-41.5-177-55.7-44.2000111.4R638 K646R638-D642 PolarHBondContact O-N 2.65Å; R638-D642 VanDerWaalsContact O-OD2 3.1Å; D642-K646 WeakPolarHBondContact O-CB 3.45Å; D642-K646 PolarHBondContact O-N 2.83Å
643A90.2Very high90.5Very high7 Ų742.6 Ų42.66%0.05822%0.224CC..Hα-helixtrans-65.5-47.6175.100000112.9A559 D563 A639 K645 K646 W647A559-A643 HydrophobicContact CB-CB 3.88Å; D563-A643 HydrophobicContact CB-CB 3.86Å; A639-A643 WeakPolarHBondContact O-CB 3.49Å; A639-A643 PolarHBondContact O-N 2.98Å; A643-K645 VanDerWaalsContact C-N 3.33Å; A643-K645 PolarHBondContact O-N 2.9Å; A643-K646 PolarHBondContact O-N 2.98Å; A643-W647 WeakPolarHBondContact O-CB 3.27Å; A643-W647 PolarHBondContact O-N 3Å
644L93.9Very high90.4Very high0 Ų042.6 Ų42.60%022%0.224CC..Hα-helixtrans-68.7-31178.2-66-168.3000112.5L612 L615 L633 V635 L640 W647 I648 I696 Y716L612-L644 HydrophobicContact CD2-CD2 3.38Å; L615-L644 HydrophobicContact CD2-CD1 4.25Å; L633-L644 HydrophobicContact CD2-CD1 3.93Å; L633-L644 HydrophobicContact CG-CD1 4.49Å; V635-L644 HydrophobicContact CG1-CD1 3.64Å; L640-L644 VanDerWaalsContact O-CB 3.28Å; L640-L644 WeakPolarHBondContact O-CB 3.32Å; L640-L644 VanDerWaalsContact O-CG 3.24Å; L640-L644 WeakPolarHBondContact O-CG 2.91Å; L640-L644 PolarHBondContact O-N 2.86Å; L644-W647 HydrophobicContact CD2-CE3 4.24Å; L644-I648 VanDerWaalsContact O-CG1 3.32Å; L644-I648 WeakPolarHBondContact O-CG1 3.35Å; L644-I648 PolarHBondContact O-N 2.82Å; L644-I696 HydrophobicContact CB-CD1 4.25Å; L644-I696 HydrophobicContact CB-CG2 4.49Å; L644-Y716 HydrophobicContact CD1-CD1 4.02Å; L644-Y716 HydrophobicContact CD1-CE1 4.2Å; L644-Y716 HydrophobicContact CD1-CG 4.35Å
645K94.1Very high90.3Very high56 Ų5647.4 Ų47.424%0.24326%0.257CS..Hα-helixtrans-59.2-53.9170.4-172.4-164.6-176.1-86.50110V641 A643 W647 I648 E649 P659 I661 I696V641-K645 VanDerWaalsContact O-CB 3.3Å; V641-K645 WeakPolarHBondContact O-CB 3.25Å; V641-K645 PolarHBondContact O-N 2.93Å; A643-K645 VanDerWaalsContact C-N 3.33Å; A643-K645 PolarHBondContact O-N 2.9Å; K645-W647 PolarHBondContact O-N 3.37Å; K645-I648 PolarHBondContact O-N 3.35Å; K645-E649 IonicContact NZ-OE1 2.74Å; K645-E649 PolarHBondContact NZ-OE1 2.72Å; K645-E649 IonicContact NZ-OE2 2.66Å; K645-E649 PolarHBondContact NZ-OE2 3.38Å; K645-E649 WeakPolarHBondContact O-CG 3.33Å; K645-E649 PolarHBondContact O-N 3.27Å; K645-P659 HydrophobicContact CG-CB 4.12Å; K645-P659 HydrophobicContact CG-CG 3.92Å; K645-I661 HydrophobicContact CB-CG2 4.18Å; K645-I661 HydrophobicContact CD-CG2 3.72Å; K645-I661 HydrophobicContact CG-CG2 4.12Å; K645-I696 HydrophobicContact CB-CD1 3.96Å
646K92.3Very high90.3Very high67 Ų6751.4 Ų51.429%0.29128%0.275SS..Hα-helixtrans-59.5-44.6179.5-176.6174.4-179170.80112.2N566 D642 A643 I648 E649 E650N566-K646 PolarHBondContact ND2-NZ 3.18Å; D642-K646 WeakPolarHBondContact O-CB 3.45Å; D642-K646 PolarHBondContact O-N 2.83Å; A643-K646 PolarHBondContact O-N 2.98Å; K646-I648 VanDerWaalsContact C-N 3.32Å; K646-I648 PolarHBondContact O-N 3.28Å; K646-E649 PolarHBondContact O-N 2.89Å; K646-E650 VanDerWaalsContact CE-CD 3.43Å; K646-E650 WeakPolarHBondContact CE-OE1 3.41Å; K646-E650 HydrophobicContact CG-CG 4.08Å; K646-E650 IonicContact NZ-OE1 2.66Å; K646-E650 WeakPolarHBondContact O-CB 3.41Å; K646-E650 WeakPolarHBondContact O-CG 3.08Å; K646-E650 PolarHBondContact O-N 3.07Å
647W94.2Very high90.7Very high17 Ų1747 Ų476%0.06426%0.256CS..Hα-helixtrans-61.1-36.7176.8169.767.8000113.1L612 L615 A643 L644 K645 N651 L654L612-W647 HydrophobicContact CB-CH2 4.41Å; L612-W647 HydrophobicContact CB-CZ2 3.88Å; L612-W647 HydrophobicContact CD1-CD2 4.37Å; L612-W647 HydrophobicContact CD1-CG 4.31Å; L612-W647 HydrophobicContact CD2-CD2 4.11Å; L612-W647 HydrophobicContact CD2-CE3 4.1Å; L612-W647 HydrophobicContact CD2-CH2 4.49Å; L612-W647 HydrophobicContact CD2-CZ2 4.49Å; L612-W647 HydrophobicContact CD2-CZ3 4.32Å; L612-W647 WeakPolarHBondContact O-CH2 3.16Å; L612-W647 WeakPolarHBondContact O-CZ2 3.1Å; L615-W647 HydrophobicContact CB-CH2 4.33Å; L615-W647 HydrophobicContact CD2-CE3 4.43Å; L615-W647 HydrophobicContact CD2-CH2 4.07Å; L615-W647 HydrophobicContact CD2-CZ3 3.57Å; L615-W647 HydrophobicContact CG-CH2 4.07Å; L615-W647 HydrophobicContact CG-CZ3 3.98Å; A643-W647 WeakPolarHBondContact O-CB 3.27Å; A643-W647 PolarHBondContact O-N 3Å; L644-W647 HydrophobicContact CD2-CE3 4.24Å; K645-W647 PolarHBondContact O-N 3.37Å; W647-N651 WeakPolarHBondContact O-CB 3.33Å; W647-N651 PolarHBondContact O-N 2.67Å; W647-L654 HydrophobicContact CH2-CD1 3.83Å; W647-L654 HydrophobicContact CZ2-CD1 4.15Å; W647-L654 HydrophobicContact CZ3-CD1 4.07Å
648I95.3Very high91.2Very high2 Ų249.8 Ų49.81%0.0126%0.264CS..Hα-helixtrans-69.6-43.5174.1-71.4166.4000110.9L644 K645 K646 N651 L654 L657 P659 I694 I696L644-I648 VanDerWaalsContact O-CG1 3.32Å; L644-I648 WeakPolarHBondContact O-CG1 3.35Å; L644-I648 PolarHBondContact O-N 2.82Å; K645-I648 PolarHBondContact O-N 3.35Å; K646-I648 VanDerWaalsContact C-N 3.32Å; K646-I648 PolarHBondContact O-N 3.28Å; I648-N651 PolarHBondContact O-N 2.75Å; I648-L654 HydrophobicContact CG1-CD1 4.1Å; I648-L654 HydrophobicContact CG2-CB 4.46Å; I648-L657 HydrophobicContact CG2-CB 3.68Å; I648-L657 HydrophobicContact CG2-CD1 4.01Å; I648-L657 HydrophobicContact CG2-CG 4.48Å; I648-P659 HydrophobicContact CB-CG 4.27Å; I648-P659 HydrophobicContact CG2-CB 4.23Å; I648-P659 HydrophobicContact CG2-CG 3.88Å; I648-I694 HydrophobicContact CD1-CD1 4.19Å; I648-I696 HydrophobicContact CD1-CD1 3.94Å
649E94.3Very high91.8Very high112 Ų11246.4 Ų46.452%0.52325%0.252SS..Hα-helixtrans-70.7-32.7-178.9-69176.3137.200113.7K645 K646 P659K645-E649 IonicContact NZ-OE1 2.74Å; K645-E649 PolarHBondContact NZ-OE1 2.72Å; K645-E649 IonicContact NZ-OE2 2.66Å; K645-E649 PolarHBondContact NZ-OE2 3.38Å; K645-E649 WeakPolarHBondContact O-CG 3.33Å; K645-E649 PolarHBondContact O-N 3.27Å; K646-E649 PolarHBondContact O-N 2.89Å; E649-P659 HydrophobicContact CG-CG 3.6Å
650E92.6Very high92.3Very high85 Ų8545 Ų4540%0.39724%0.241SC..Hα-helixtrans-83.5-12.4177.8-70-174.4150.700113.5K562 K646 P652K562-E650 IonicContact NZ-OE1 3.03Å; K562-E650 PolarHBondContact NZ-OE1 2.96Å; K562-E650 IonicContact NZ-OE2 2.79Å; K562-E650 PolarHBondContact NZ-OE2 3.39Å; K646-E650 VanDerWaalsContact CE-CD 3.43Å; K646-E650 WeakPolarHBondContact CE-OE1 3.41Å; K646-E650 HydrophobicContact CG-CG 4.08Å; K646-E650 IonicContact NZ-OE1 2.66Å; K646-E650 WeakPolarHBondContact O-CB 3.41Å; K646-E650 WeakPolarHBondContact O-CG 3.08Å; K646-E650 PolarHBondContact O-N 3.07Å; E650-P652 WeakPolarHBondContact O-CD 3.45Å
651N91.8Very high92.5Very high34 Ų3446.9 Ų46.918%0.18225%0.251CS..  trans-92.9110.1-176.5-177.9-11.7000111.8W647 I648 A653 L654 S655W647-N651 WeakPolarHBondContact O-CB 3.33Å; W647-N651 PolarHBondContact O-N 2.67Å; I648-N651 PolarHBondContact O-N 2.75Å; N651-A653 PolarHBondContact O-N 2.84Å; N651-A653 VanDerWaalsContact O-N 3.14Å; N651-A653 WeakPolarHBondContact OD1-CB 3.44Å; N651-A653 PolarHBondContact OD1-N 3.33Å; N651-L654 HydrophobicContact CB-CB 4.3Å; N651-L654 HydrophobicContact CB-CD1 4.44Å; N651-L654 HydrophobicContact CB-CG 4.44Å; N651-L654 PolarHBondContact O-N 2.93Å; N651-S655 PolarHBondContact O-N 2.88Å
652P92.1Very high92.4Very high109 Ų10946.9 Ų46.971%0.70825%0.251SS*.G310 helixtrans-61.2-29.4-176.7-22.934.7000113.8E650 L654 S655E650-P652 WeakPolarHBondContact O-CD 3.45Å; P652-L654 PolarHBondContact O-N 2.9Å; P652-S655 VanDerWaalsContact O-CB 3.28Å; P652-S655 WeakPolarHBondContact O-CB 3.36Å; P652-S655 PolarHBondContact O-N 3.19Å; P652-S655 PolarHBondContact O-OG 3.49Å
653A91.2Very high92.3Very high47 Ų4743.2 Ų43.239%0.38823%0.232SC..G310 helixtrans-76.8-10178.800000113.3Y616 N651 F656Y616-A653 HydrophobicContact CE2-CB 3.66Å; N651-A653 PolarHBondContact O-N 2.84Å; N651-A653 VanDerWaalsContact O-N 3.14Å; N651-A653 WeakPolarHBondContact OD1-CB 3.44Å; N651-A653 PolarHBondContact OD1-N 3.33Å; A653-F656 WeakPolarHBondContact O-CE1 3.12Å
654L94.2Very high91.6Very high0 Ų043.3 Ų43.30%023%0.234CC..G310 helixtrans-10813.1171.1-65.3-178.9000112.9Y616 L619 W647 I648 N651 P652 F656 L657Y616-L654 HydrophobicContact CD2-CD1 4.07Å; Y616-L654 HydrophobicContact CD2-CD2 3.65Å; Y616-L654 HydrophobicContact CD2-CG 3.74Å; Y616-L654 HydrophobicContact CE2-CD2 3.89Å; Y616-L654 HydrophobicContact CE2-CG 4.07Å; L619-L654 HydrophobicContact CB-CD2 4.23Å; L619-L654 HydrophobicContact CD1-CD1 4.47Å; W647-L654 HydrophobicContact CH2-CD1 3.83Å; W647-L654 HydrophobicContact CZ2-CD1 4.15Å; W647-L654 HydrophobicContact CZ3-CD1 4.07Å; I648-L654 HydrophobicContact CG1-CD1 4.1Å; I648-L654 HydrophobicContact CG2-CB 4.46Å; N651-L654 HydrophobicContact CB-CB 4.3Å; N651-L654 HydrophobicContact CB-CD1 4.44Å; N651-L654 HydrophobicContact CB-CG 4.44Å; N651-L654 PolarHBondContact O-N 2.93Å; P652-L654 PolarHBondContact O-N 2.9Å; L654-F656 HydrophobicContact CD2-CE1 4.26Å; L654-F656 HydrophobicContact CD2-CZ 3.94Å; L654-F656 PolarHBondContact O-N 2.87Å; L654-L657 HydrophobicContact CB-CD1 4.25Å; L654-L657 HydrophobicContact CD1-CD1 4.43Å; L654-L657 HydrophobicContact CD2-CD1 4.07Å; L654-L657 HydrophobicContact CG-CD1 4.49Å; L654-L657 WeakPolarHBondContact O-CB 3.35Å; L654-L657 PolarHBondContact O-N 2.65Å
655S92.4Very high90.2Very high101 Ų10145.8 Ų45.871%0.70624%0.243SC*.THydrogen-bonded Turntrans-60.5-9.7-179.554.80000115.8N651 P652 L657N651-S655 PolarHBondContact O-N 2.88Å; P652-S655 VanDerWaalsContact O-CB 3.28Å; P652-S655 WeakPolarHBondContact O-CB 3.36Å; P652-S655 PolarHBondContact O-N 3.19Å; P652-S655 PolarHBondContact O-OG 3.49Å; S655-L657 VanDerWaalsContact C-N 3.32Å
656F91.6Very high88.5Confident84 Ų8443.8 Ų43.837%0.36824%0.239SC..THydrogen-bonded Turntrans-79.7-11.1168.562.3-97.9000113.6Y623 A653 L654 N693Y623-F656 VanDerWaalsContact CB-CE2 3.44Å; Y623-F656 AromaticContact CD1-CD2 3.97Å; Y623-F656 HydrophobicContact CD1-CD2 3.97Å; Y623-F656 AromaticContact CD1-CE2 3.91Å; Y623-F656 HydrophobicContact CD1-CE2 3.91Å; Y623-F656 HydrophobicContact CD2-CE2 4.06Å; Y623-F656 HydrophobicContact CG-CD2 4.08Å; Y623-F656 AromaticContact CG-CE2 3.54Å; Y623-F656 HydrophobicContact CG-CE2 3.54Å; A653-F656 WeakPolarHBondContact O-CE1 3.12Å; L654-F656 HydrophobicContact CD2-CE1 4.26Å; L654-F656 HydrophobicContact CD2-CZ 3.94Å; L654-F656 PolarHBondContact O-N 2.87Å; F656-N693 PolarHBondContact O-ND2 2.79Å
657L94.1Very high86.6Confident11 Ų1145.2 Ų45.26%0.05825%0.245CC..  trans-91.2142175.3-62.9-178.1000111.3L619 Y623 I648 L654 S655 N693 I694L619-L657 HydrophobicContact CB-CD1 4.45Å; L619-L657 HydrophobicContact CD1-CD1 3.98Å; L619-L657 HydrophobicContact CD2-CD1 4.32Å; L619-L657 HydrophobicContact CG-CD1 4.48Å; Y623-L657 HydrophobicContact CD1-CD2 4.08Å; Y623-L657 HydrophobicContact CD2-CD2 4.14Å; Y623-L657 HydrophobicContact CE1-CD2 3.61Å; Y623-L657 HydrophobicContact CE2-CD2 3.68Å; Y623-L657 HydrophobicContact CG-CD2 4.32Å; I648-L657 HydrophobicContact CG2-CB 3.68Å; I648-L657 HydrophobicContact CG2-CD1 4.01Å; I648-L657 HydrophobicContact CG2-CG 4.48Å; L654-L657 HydrophobicContact CB-CD1 4.25Å; L654-L657 HydrophobicContact CD1-CD1 4.43Å; L654-L657 HydrophobicContact CD2-CD1 4.07Å; L654-L657 HydrophobicContact CG-CD1 4.49Å; L654-L657 WeakPolarHBondContact O-CB 3.35Å; L654-L657 PolarHBondContact O-N 2.65Å; S655-L657 VanDerWaalsContact C-N 3.32Å; L657-N693 WeakPolarHBondContact CA-OD1 3.15Å; L657-I694 HydrophobicContact CB-CG2 4.09Å; L657-I694 HydrophobicContact CD1-CG2 4.38Å; L657-I694 HydrophobicContact CD2-CG2 4.3Å
658K92.7Very high84.2Confident110 Ų11045 Ų4548%0.47825%0.245SC..  trans-123.8100.4172.2-63.2-175.8-178.5-176.90108G660 G690 D691 N692 N693K658-G660 PolarHBondContact O-N 2.69Å; K658-G690 WeakPolarHBondContact CD-O 3.34Å; K658-G690 PolarHBondContact NZ-O 3.19Å; K658-D691 WeakPolarHBondContact CB-O 3.36Å; K658-D691 WeakPolarHBondContact CD-O 3.45Å; K658-N692 PolarHBondContact O-OD1 2.89Å; K658-N693 PolarHBondContact N-OD1 2.62Å; K658-N693 PolarHBondContact O-N 2.81Å
659P94.3Very high81.4Confident11 Ų1146.6 Ų46.67%0.07125%0.254CS..EExtended strand (participates in β ladder)trans-87.6106.4-169.831.5-32.7000113.6K645 I648 E649 I694 I696K645-P659 HydrophobicContact CG-CB 4.12Å; K645-P659 HydrophobicContact CG-CG 3.92Å; I648-P659 HydrophobicContact CB-CG 4.27Å; I648-P659 HydrophobicContact CG2-CB 4.23Å; I648-P659 HydrophobicContact CG2-CG 3.88Å; E649-P659 HydrophobicContact CG-CG 3.6Å; P659-I694 WeakPolarHBondContact CA-O 3.44Å; P659-I694 HydrophobicContact CB-CG2 3.92Å; P659-I696 HydrophobicContact CB-CD1 3.95Å; P659-I696 HydrophobicContact CB-CG1 4.39Å
660G92.1Very high79Confident6 Ų646.4 Ų46.46%0.06225%0.253CS..EExtended strand (participates in β ladder)trans-76.4156.5162.900000111.6K658 N692 I694 I696K658-G660 PolarHBondContact O-N 2.69Å; G660-N692 PolarHBondContact N-OD1 2.9Å; G660-I694 PolarHBondContact N-O 3.18Å; G660-I696 PolarHBondContact O-N 3.33Å
661I91.2Very high76.8Confident41 Ų4146.1 Ų46.121%0.2127%0.265CS..EExtended strand (participates in β ladder)trans-119.3148176.758.1168.3000112.1V641 K645 M674 A682 I696V641-I661 HydrophobicContact CG1-CB 3.73Å; V641-I661 HydrophobicContact CG1-CG2 3.45Å; V641-I661 VanDerWaalsContact CG1-CG2 3.45Å; K645-I661 HydrophobicContact CB-CG2 4.18Å; K645-I661 HydrophobicContact CD-CG2 3.72Å; K645-I661 HydrophobicContact CG-CG2 4.12Å; I661-M674 HydrophobicContact CD1-SD 4.1Å; I661-M674 HydrophobicContact CG1-CE 4.28Å; I661-M674 HydrophobicContact CG1-SD 3.95Å; I661-M674 WeakPolarHBondContact O-CE 3Å; I661-A682 WeakPolarHBondContact O-CB 3.42Å; I661-I696 CarbonylContact C-O 3.52Å; I661-I696 WeakPolarHBondContact CA-O 3.36Å
662L88.4Confident75.2Confident0 Ų047.2 Ų47.20%027%0.273CS..EExtended strand (participates in β ladder)trans-141.297.5173.9-173.455.5000111.7Q679 L683 L695 I696 A697 T698 A701L662-Q679 HydrophobicContact CD1-CB 3.97Å; L662-Q679 HydrophobicContact CD1-CG 3.93Å; L662-L683 HydrophobicContact CD2-CD2 3.9Å; L662-L683 HydrophobicContact CD2-CG 4.4Å; L662-L695 HydrophobicContact CB-CD1 4.11Å; L662-L695 HydrophobicContact CB-CD2 4.41Å; L662-L695 HydrophobicContact CB-CG 4.29Å; L662-L695 HydrophobicContact CD2-CD2 4.08Å; L662-I696 PolarHBondContact N-O 3.49Å; L662-A697 HydrophobicContact CB-CB 4.2Å; L662-A697 WeakPolarHBondContact O-CA 3.45Å; L662-T698 PolarHBondContact O-N 2.96Å; L662-T698 VanDerWaalsContact O-N 3.09Å; L662-T698 PolarHBondContact O-OG1 3.13Å; L662-A701 HydrophobicContact CD2-CB 4.15Å
663T85.1Confident73.9Confident7 Ų743.2 Ų43.24%0.04325%0.251CS..  trans-117.4158.2177.972.10000112.7R638 V641 M674 Q679 T698R638-T663 HydrophobicContact CB-CG2 4.37Å; R638-T663 HydrophobicContact CG-CG2 3.98Å; V641-T663 HydrophobicContact CB-CG2 4.08Å; V641-T663 HydrophobicContact CG1-CG2 3.95Å; V641-T663 HydrophobicContact CG2-CG2 3.98Å; T663-M674 PolarHBondContact N-SD 3.07Å; T663-M674 WeakPolarHBondContact OG1-CG 3.36Å; T663-Q679 PolarHBondContact O-NE2 2.68Å; T663-T698 WeakPolarHBondContact CA-OG1 3.29Å; T663-T698 HydrophobicContact CG2-CG2 4.34Å
664G75.8Confident72.9Confident10 Ų1042 Ų4210%0.10324%0.238CC..  trans-69.6162.7173.600000114.2G666 G673 M674G664-G666 PolarHBondContact O-N 3.4Å; G664-G673 WeakPolarHBondContact O-CA 3.48Å; G664-M674 PolarHBondContact O-N 3.28Å
665R64.4Low71.9Confident51 Ų5145.3 Ų45.319%0.19226%0.258CS..  trans-61.6-17.6-168.1-70.1169.5174.8-168.7-0.2116.6E216 T672 M674E216-R665 WeakPolarHBondContact OE1-CD 3.34Å; E216-R665 IonicContact OE1-NH1 2.71Å; E216-R665 PolarHBondContact OE1-NH1 3.09Å; E216-R665 WeakPolarHBondContact OE2-CD 3.46Å; E216-R665 IonicContact OE2-CZ 3.9Å; E216-R665 IonicContact OE2-NE 2.62Å; E216-R665 IonicContact OE2-NH1 2.73Å; E216-R665 PolarHBondContact OE2-NH1 3.36Å; R665-T672 VanDerWaalsContact O-O 3.05Å; R665-M674 WeakPolarHBondContact CA-O 3.45Å
666G57.8Low70.7Confident15 Ų1542 Ų4216%0.15523%0.233CC..  trans92.6179.4-173.300000112.5G664G664-G666 PolarHBondContact O-N 3.4Å
667K53.2Low69.8Low96 Ų9642.2 Ų42.242%0.41724%0.242SC..  trans-86.1121.5158.6-73.5179.4174.8-79.10106.1D202 N669 Q670D202-K667 IonicContact OD2-NZ 3.32Å; D202-K667 PolarHBondContact OD2-NZ 3.12Å; K667-N669 PolarHBondContact O-N 2.9Å; K667-Q670 PolarHBondContact O-N 3.32Å; K667-Q670 VanDerWaalsContact O-O 3.07Å
668T43.7Very low68.8Low12 Ų1243.4 Ų43.47%0.07425%0.254CS..THydrogen-bonded Turntrans-40.3-41.1177.240.40000114.3E201 Q670 H848E201-T668 VanDerWaalsContact CD-CG2 3.49Å; E201-T668 HydrophobicContact CG-CG2 4.39Å; E201-T668 WeakPolarHBondContact OE1-CG2 3.38Å; E201-T668 PolarHBondContact OE1-N 2.85Å; E201-T668 WeakPolarHBondContact OE2-CB 3.41Å; E201-T668 PolarHBondContact OE2-N 3.33Å; E201-T668 PolarHBondContact OE2-OG1 2.84Å; T668-Q670 PolarHBondContact O-N 3.06Å; T668-H848 PolarHBondContact O-CE1 3.33Å
669N36Very low68.2Low36 Ų3638.6 Ų38.619%0.19323%0.233CC..THydrogen-bonded Turntrans-71.48.8-177.9-58.4-36.9000114.1K667 K859 K862K667-N669 PolarHBondContact O-N 2.9Å; N669-K859 PolarHBondContact OD1-NZ 3.28Å; N669-K862 PolarHBondContact O-NZ 2.99Å
670Q43.9Very low67.4Low109 Ų10942.7 Ų42.751%0.50925%0.25SC..SBendtrans-142.6147.7178.5-65.6-179.1-21.600110.8K667 T668 T672K667-Q670 PolarHBondContact O-N 3.32Å; K667-Q670 VanDerWaalsContact O-O 3.07Å; T668-Q670 PolarHBondContact O-N 3.06Å; Q670-T672 HydrophobicContact CB-CG2 4.34Å; Q670-T672 PolarHBondContact O-N 3.39Å
671A47.7Very low66.9Low79 Ų7950.3 Ų50.365%0.65328%0.278SS*.SBendtrans-78.242178.700000113.9
672T56.7Low66.6Low57 Ų5748.7 Ų48.735%0.3527%0.271SS..  trans-108.9159.2-179.970.50000111.9R638 R665 Q670 K850R638-T672 PolarHBondContact NH1-OG1 2.99Å; R665-T672 VanDerWaalsContact O-O 3.05Å; Q670-T672 HydrophobicContact CB-CG2 4.34Å; Q670-T672 PolarHBondContact O-N 3.39Å; T672-K850 PolarHBondContact O-NZ 2.96Å
673G64.9Low66.3Low24 Ų2449.2 Ų49.225%0.24727%0.273CS..SBendtrans78.9161171.200000116.1G664 K850G664-G673 WeakPolarHBondContact O-CA 3.48Å; G673-K850 PolarHBondContact O-NZ 3.03Å; G673-K850 VanDerWaalsContact O-NZ 3.14Å
674M70.6Confident66.3Low22 Ų2253 Ų5311%0.10829%0.291CS..  trans-85.2139.8-175.3-70.2170.171.500113.1I661 T663 G664 R665 A678 Q679 A682I661-M674 HydrophobicContact CD1-SD 4.1Å; I661-M674 HydrophobicContact CG1-CE 4.28Å; I661-M674 HydrophobicContact CG1-SD 3.95Å; I661-M674 WeakPolarHBondContact O-CE 3Å; T663-M674 PolarHBondContact N-SD 3.07Å; T663-M674 WeakPolarHBondContact OG1-CG 3.36Å; G664-M674 PolarHBondContact O-N 3.28Å; R665-M674 WeakPolarHBondContact CA-O 3.45Å; M674-A678 HydrophobicContact CB-CB 4.39Å; M674-A678 HydrophobicContact CE-CB 4.12Å; M674-A678 WeakPolarHBondContact CE-O 3.49Å; M674-Q679 HydrophobicContact CB-CG 3.93Å; M674-Q679 HydrophobicContact CE-CG 4.39Å; M674-A682 HydrophobicContact CE-CB 4.07Å
675T73Confident66.7Low69 Ų6953 Ų5342%0.42329%0.289SS..  trans-71.6159.417162.70000111.1A678 Q679T675-A678 PolarHBondContact O-N 3.22Å; T675-A678 VanDerWaalsContact O-N 3.12Å; T675-A678 WeakPolarHBondContact OG1-CB 3.22Å; T675-A678 PolarHBondContact OG1-N 3.33Å; T675-Q679 WeakPolarHBondContact O-CG 3.44Å; T675-Q679 PolarHBondContact O-N 3.22Å
676L68.4Low67.9Low33 Ų3350.5 Ų50.517%0.17328%0.28CS..Hα-helixtrans-57.5-43.5176174.2143.6000113I301 P302 E305 A678 Q679 K680I301-L676 HydrophobicContact CB-CD1 4.07Å; I301-L676 HydrophobicContact CG2-CD1 3.77Å; P302-L676 HydrophobicContact CG-CD1 3.91Å; E305-L676 VanDerWaalsContact OE1-CD1 3.25Å; E305-L676 WeakPolarHBondContact OE1-CD1 3.43Å; E305-L676 WeakPolarHBondContact OE1-CD2 3.32Å; L676-A678 VanDerWaalsContact C-N 3.3Å; L676-A678 PolarHBondContact O-N 2.81Å; L676-Q679 WeakPolarHBondContact O-CB 3.14Å; L676-Q679 PolarHBondContact O-N 3.14Å; L676-Q679 VanDerWaalsContact O-N 3.16Å; L676-K680 WeakPolarHBondContact O-CB 3.27Å; L676-K680 PolarHBondContact O-N 3.39Å
677P70.9Confident69.1Low88 Ų8854.8 Ų54.857%0.57129%0.291SS*.Hα-helixtrans-57.1-40.6173.2-2937.2000113.3K680 Y681P677-K680 PolarHBondContact O-N 3.04Å; P677-Y681 WeakPolarHBondContact O-CB 3.48Å; P677-Y681 PolarHBondContact O-N 3.35Å
678A75Confident70.2Confident36 Ų3651.9 Ų51.930%0.29829%0.285SS..Hα-helixtrans-68.1-37.4176.100000112.7M674 T675 L676 A682M674-A678 HydrophobicContact CB-CB 4.39Å; M674-A678 HydrophobicContact CE-CB 4.12Å; M674-A678 WeakPolarHBondContact CE-O 3.49Å; T675-A678 PolarHBondContact O-N 3.22Å; T675-A678 VanDerWaalsContact O-N 3.12Å; T675-A678 WeakPolarHBondContact OG1-CB 3.22Å; T675-A678 PolarHBondContact OG1-N 3.33Å; L676-A678 VanDerWaalsContact C-N 3.3Å; L676-A678 PolarHBondContact O-N 2.81Å; A678-A682 WeakPolarHBondContact O-CB 3.33Å; A678-A682 PolarHBondContact O-N 2.87Å
679Q79.1Confident71.2Confident8 Ų857.1 Ų57.14%0.03732%0.323CS..Hα-helixtrans-63.5-44.5173.1-67.6175.8-29.800111.2L662 T663 M674 T675 L676 A682 L683L662-Q679 HydrophobicContact CD1-CB 3.97Å; L662-Q679 HydrophobicContact CD1-CG 3.93Å; T663-Q679 PolarHBondContact O-NE2 2.68Å; M674-Q679 HydrophobicContact CB-CG 3.93Å; M674-Q679 HydrophobicContact CE-CG 4.39Å; T675-Q679 WeakPolarHBondContact O-CG 3.44Å; T675-Q679 PolarHBondContact O-N 3.22Å; L676-Q679 WeakPolarHBondContact O-CB 3.14Å; L676-Q679 PolarHBondContact O-N 3.14Å; L676-Q679 VanDerWaalsContact O-N 3.16Å; Q679-A682 PolarHBondContact O-N 2.87Å; Q679-L683 WeakPolarHBondContact O-CD1 3.38Å; Q679-L683 VanDerWaalsContact O-CG 3.26Å; Q679-L683 WeakPolarHBondContact O-CG 3.38Å; Q679-L683 PolarHBondContact O-N 2.83Å
680K77.4Confident72.4Confident97 Ų9757.8 Ų57.842%0.42234%0.338SS..Hα-helixtrans-63-49.1178.1-177.8171.1179.3173.10111.7L676 P677 A682 L683 E684L676-K680 WeakPolarHBondContact O-CB 3.27Å; L676-K680 PolarHBondContact O-N 3.39Å; P677-K680 PolarHBondContact O-N 3.04Å; K680-A682 PolarHBondContact O-N 3.14Å; K680-L683 WeakPolarHBondContact O-CB 3.43Å; K680-L683 PolarHBondContact O-N 3.42Å; K680-E684 WeakPolarHBondContact CE-OE1 3.35Å; K680-E684 VanDerWaalsContact CG-OE1 3.29Å; K680-E684 WeakPolarHBondContact CG-OE1 3.46Å; K680-E684 WeakPolarHBondContact O-CB 3.45Å; K680-E684 WeakPolarHBondContact O-CG 3.41Å; K680-E684 PolarHBondContact O-N 2.84Å
681Y80.8Confident73.7Confident166 Ų16656.9 Ų56.965%0.65134%0.337SS*.Hα-helixtrans-57.1-46.1174.7177.9-98.5000112.4P677 L683 E684 A685P677-Y681 WeakPolarHBondContact O-CB 3.48Å; P677-Y681 PolarHBondContact O-N 3.35Å; Y681-L683 VanDerWaalsContact C-N 3.32Å; Y681-L683 PolarHBondContact O-N 2.89Å; Y681-E684 PolarHBondContact O-N 3.48Å; Y681-A685 WeakPolarHBondContact O-CB 3.43Å; Y681-A685 PolarHBondContact O-N 3.04Å
682A85Confident75.5Confident8 Ų854.6 Ų54.67%0.06631%0.314CS..Hα-helixtrans-61.9-38.2177.700000112.8I661 M674 A678 Q679 K680 F686I661-A682 WeakPolarHBondContact O-CB 3.42Å; M674-A682 HydrophobicContact CE-CB 4.07Å; A678-A682 WeakPolarHBondContact O-CB 3.33Å; A678-A682 PolarHBondContact O-N 2.87Å; Q679-A682 PolarHBondContact O-N 2.87Å; K680-A682 PolarHBondContact O-N 3.14Å; A682-F686 VanDerWaalsContact O-CB 3.24Å; A682-F686 WeakPolarHBondContact O-CB 3.43Å; A682-F686 PolarHBondContact O-N 2.61Å
683L83.8Confident77.1Confident11 Ų1153.4 Ų53.46%0.05831%0.305CS..Hα-helixtrans-69.2-38.2174.7-71.2162.5000112.4L662 Q679 K680 Y681 F686 R687 I705 I707L662-L683 HydrophobicContact CD2-CD2 3.9Å; L662-L683 HydrophobicContact CD2-CG 4.4Å; Q679-L683 WeakPolarHBondContact O-CD1 3.38Å; Q679-L683 VanDerWaalsContact O-CG 3.26Å; Q679-L683 WeakPolarHBondContact O-CG 3.38Å; Q679-L683 PolarHBondContact O-N 2.83Å; K680-L683 WeakPolarHBondContact O-CB 3.43Å; K680-L683 PolarHBondContact O-N 3.42Å; Y681-L683 VanDerWaalsContact C-N 3.32Å; Y681-L683 PolarHBondContact O-N 2.89Å; L683-F686 PolarHBondContact O-N 3.02Å; L683-R687 VanDerWaalsContact O-CG 3.29Å; L683-R687 WeakPolarHBondContact O-CG 3.15Å; L683-R687 PolarHBondContact O-N 3.03Å; L683-I705 HydrophobicContact CD1-CG2 3.48Å; L683-I705 VanDerWaalsContact CD1-CG2 3.48Å; L683-I705 HydrophobicContact CD2-CG2 3.81Å; L683-I705 HydrophobicContact CG-CG2 4.32Å; L683-I707 HydrophobicContact CD2-CG1 3.93Å
684E83.3Confident78.4Confident86 Ų8652.2 Ų52.240%0.40229%0.293SS..Hα-helixtrans-71-46179.4-74.8165.6179.400111.2K680 Y681 F686 R687 A688K680-E684 WeakPolarHBondContact CE-OE1 3.35Å; K680-E684 VanDerWaalsContact CG-OE1 3.29Å; K680-E684 WeakPolarHBondContact CG-OE1 3.46Å; K680-E684 WeakPolarHBondContact O-CB 3.45Å; K680-E684 WeakPolarHBondContact O-CG 3.41Å; K680-E684 PolarHBondContact O-N 2.84Å; Y681-E684 PolarHBondContact O-N 3.48Å; E684-F686 VanDerWaalsContact C-N 3.27Å; E684-F686 PolarHBondContact O-N 2.79Å; E684-R687 WeakPolarHBondContact O-CB 3.48Å; E684-R687 PolarHBondContact O-N 3.14Å; E684-A688 PolarHBondContact O-N 3.1Å
685A85.9Confident79.6Confident9 Ų951.2 Ų51.27%0.07429%0.288CS..Hα-helixtrans-62.8-29.9171.100000113.1Y681 D691 N692Y681-A685 WeakPolarHBondContact O-CB 3.43Å; Y681-A685 PolarHBondContact O-N 3.04Å; A685-D691 HydrophobicContact CB-CB 4.13Å; A685-N692 WeakPolarHBondContact CB-ND2 3.43Å; A685-N692 PolarHBondContact O-N 2.89Å
686F88.5Confident80.6Confident0 Ų047.9 Ų47.90%027%0.268CS..Hα-helixtrans-78.4-20.3172-173.1-109.9000113.6K630 T631 A682 L683 E684 N692 N693 L695 I707 A708K630-F686 HydrophobicContact CB-CE2 4.37Å; K630-F686 HydrophobicContact CB-CZ 4.06Å; K630-F686 PolarHBondContact NZ-O 3.26Å; T631-F686 WeakPolarHBondContact O-CE2 3.49Å; T631-F686 WeakPolarHBondContact O-CZ 3.47Å; A682-F686 VanDerWaalsContact O-CB 3.24Å; A682-F686 WeakPolarHBondContact O-CB 3.43Å; A682-F686 PolarHBondContact O-N 2.61Å; L683-F686 PolarHBondContact O-N 3.02Å; E684-F686 VanDerWaalsContact C-N 3.27Å; E684-F686 PolarHBondContact O-N 2.79Å; F686-N692 HydrophobicContact CB-CB 4.35Å; F686-N692 HydrophobicContact CD2-CB 4.12Å; F686-N693 WeakPolarHBondContact CE2-O 3.33Å; F686-L695 HydrophobicContact CD1-CB 4.24Å; F686-L695 HydrophobicContact CD1-CD2 3.9Å; F686-L695 HydrophobicContact CD2-CB 3.74Å; F686-L695 HydrophobicContact CE1-CB 4.21Å; F686-L695 HydrophobicContact CE1-CD2 4.25Å; F686-L695 HydrophobicContact CE2-CB 3.7Å; F686-L695 HydrophobicContact CG-CB 4Å; F686-L695 HydrophobicContact CG-CD2 4.14Å; F686-L695 HydrophobicContact CG-CG 4.49Å; F686-L695 HydrophobicContact CZ-CB 3.95Å; F686-I707 HydrophobicContact CD1-CG2 3.94Å; F686-I707 HydrophobicContact CE1-CG2 3.7Å; F686-A708 HydrophobicContact CD1-CB 3.86Å; F686-A708 HydrophobicContact CE1-CB 3.88Å
687R82.9Confident81.8Confident104 Ų10446.3 Ų46.339%0.39226%0.259SS..Hα-helixtrans-77.9-43.8168.7-72167-168.3146.61.1111.1K630 L683 E684 D706 A708K630-R687 PolarHBondContact NZ-O 3.02Å; L683-R687 VanDerWaalsContact O-CG 3.29Å; L683-R687 WeakPolarHBondContact O-CG 3.15Å; L683-R687 PolarHBondContact O-N 3.03Å; E684-R687 WeakPolarHBondContact O-CB 3.48Å; E684-R687 PolarHBondContact O-N 3.14Å; R687-D706 PolarHBondContact NH2-O 2.91Å; R687-A708 HydrophobicContact CG-CB 4.19Å
688A76.2Confident82.6Confident35 Ų3542.6 Ų42.629%0.28924%0.235SC..SBendtrans-52.8153.2-179.600000113.8K630 E684 G690 D691K630-A688 PolarHBondContact NZ-O 2.88Å; E684-A688 PolarHBondContact O-N 3.1Å; A688-G690 PolarHBondContact O-N 3.38Å; A688-D691 VanDerWaalsContact CB-OD2 3.23Å; A688-D691 WeakPolarHBondContact CB-OD2 3.02Å
689S64.6Low82.9Confident123 Ų12343.7 Ų43.786%0.8624%0.24SC*.SBendtrans-92.695.7179.853.40000110.7
690G62.4Low82.8Confident50 Ų5045 Ų4552%0.51525%0.249SC..SBendtrans127.6-16.3172.100000115.4K658 A688K658-G690 WeakPolarHBondContact CD-O 3.34Å; K658-G690 PolarHBondContact NZ-O 3.19Å; A688-G690 PolarHBondContact O-N 3.38Å
691D70.8Confident82.7Confident90 Ų9040.3 Ų40.348%0.48123%0.229SC..SBendtrans-86.5-62.6-172.9-59.2-42.7000113.3K658 A685 A688K658-D691 WeakPolarHBondContact CB-O 3.36Å; K658-D691 WeakPolarHBondContact CD-O 3.45Å; A685-D691 HydrophobicContact CB-CB 4.13Å; A688-D691 VanDerWaalsContact CB-OD2 3.23Å; A688-D691 WeakPolarHBondContact CB-OD2 3.02Å
692N84.6Confident82.2Confident31 Ų3132.4 Ų32.417%0.16620%0.198CC..  trans-123128.1173.3-67-42.3000110.9K658 G660 A685 F686K658-N692 PolarHBondContact O-OD1 2.89Å; G660-N692 PolarHBondContact N-OD1 2.9Å; A685-N692 WeakPolarHBondContact CB-ND2 3.43Å; A685-N692 PolarHBondContact O-N 2.89Å; F686-N692 HydrophobicContact CB-CB 4.35Å; F686-N692 HydrophobicContact CD2-CB 4.12Å
693N90.1Very high81.5Confident31 Ų3133.9 Ų33.917%0.16620%0.203CC..SBendtrans-105.8-22.117359.30.8000113.4Y623 K630 T631 F656 L657 K658 F686Y623-N693 HydrophobicContact CE1-CB 4.21Å; Y623-N693 PolarHBondContact OH-O 2.89Å; Y623-N693 VanDerWaalsContact OH-O 3.11Å; K630-N693 WeakPolarHBondContact CA-O 3.43Å; T631-N693 PolarHBondContact N-O 3.5Å; F656-N693 PolarHBondContact O-ND2 2.79Å; L657-N693 WeakPolarHBondContact CA-OD1 3.15Å; K658-N693 PolarHBondContact N-OD1 2.62Å; K658-N693 PolarHBondContact O-N 2.81Å; F686-N693 WeakPolarHBondContact CE2-O 3.33Å
694I94.2Very high80.5Confident0 Ų034.5 Ų34.50%021%0.212CC..EExtended strand (participates in β ladder)trans-119.4134169.4-173.8163.7000111.4L619 T631 L633 I648 L657 P659 G660L619-I694 HydrophobicContact CD1-CD1 4.47Å; L619-I694 HydrophobicContact CD2-CD1 3.82Å; T631-I694 HydrophobicContact CG2-CD1 3.81Å; T631-I694 HydrophobicContact CG2-CG1 3.94Å; T631-I694 WeakPolarHBondContact O-CA 3.48Å; L633-I694 HydrophobicContact CB-CD1 4.23Å; L633-I694 HydrophobicContact CB-CG1 4.4Å; L633-I694 HydrophobicContact CD2-CD1 4.21Å; I648-I694 HydrophobicContact CD1-CD1 4.19Å; L657-I694 HydrophobicContact CB-CG2 4.09Å; L657-I694 HydrophobicContact CD1-CG2 4.38Å; L657-I694 HydrophobicContact CD2-CG2 4.3Å; P659-I694 WeakPolarHBondContact CA-O 3.44Å; P659-I694 HydrophobicContact CB-CG2 3.92Å; G660-I694 PolarHBondContact N-O 3.18Å
695L94.3Very high79.9Confident0 Ų030.6 Ų30.60%019%0.194CC..EExtended strand (participates in β ladder)trans-114.7114.4175.4-173.365.5000109.9T631 I632 L633 L662 F686 I707T631-L695 PolarHBondContact O-N 3.2Å; I632-L695 WeakPolarHBondContact CA-O 3.36Å; I632-L695 HydrophobicContact CD1-CD2 4.44Å; L633-L695 PolarHBondContact N-O 3Å; L662-L695 HydrophobicContact CB-CD1 4.11Å; L662-L695 HydrophobicContact CB-CD2 4.41Å; L662-L695 HydrophobicContact CB-CG 4.29Å; L662-L695 HydrophobicContact CD2-CD2 4.08Å; F686-L695 HydrophobicContact CD1-CB 4.24Å; F686-L695 HydrophobicContact CD1-CD2 3.9Å; F686-L695 HydrophobicContact CD2-CB 3.74Å; F686-L695 HydrophobicContact CE1-CB 4.21Å; F686-L695 HydrophobicContact CE1-CD2 4.25Å; F686-L695 HydrophobicContact CE2-CB 3.7Å; F686-L695 HydrophobicContact CG-CB 4Å; F686-L695 HydrophobicContact CG-CD2 4.14Å; F686-L695 HydrophobicContact CG-CG 4.49Å; F686-L695 HydrophobicContact CZ-CB 3.95Å; L695-I707 HydrophobicContact CD2-CG2 4.37Å
696I95.1Very high79.2Confident0 Ų032.9 Ų32.90%021%0.205CC..EExtended strand (participates in β ladder)trans-92.9117.4179.7-43.4-179.7000108.6L633 V635 V641 L644 K645 I648 P659 G660 I661 L662L633-I696 HydrophobicContact CD2-CG1 4.27Å; L633-I696 HydrophobicContact CD2-CG2 4.19Å; L633-I696 HydrophobicContact CG-CG2 4.29Å; L633-I696 WeakPolarHBondContact O-CA 3.31Å; V635-I696 HydrophobicContact CG2-CG2 4.49Å; V641-I696 HydrophobicContact CB-CG2 4.29Å; V641-I696 HydrophobicContact CG1-CB 4.17Å; V641-I696 HydrophobicContact CG1-CG2 4.05Å; V641-I696 HydrophobicContact CG2-CG2 4.22Å; L644-I696 HydrophobicContact CB-CD1 4.25Å; L644-I696 HydrophobicContact CB-CG2 4.49Å; K645-I696 HydrophobicContact CB-CD1 3.96Å; I648-I696 HydrophobicContact CD1-CD1 3.94Å; P659-I696 HydrophobicContact CB-CD1 3.95Å; P659-I696 HydrophobicContact CB-CG1 4.39Å; G660-I696 PolarHBondContact O-N 3.33Å; I661-I696 CarbonylContact C-O 3.52Å; I661-I696 WeakPolarHBondContact CA-O 3.36Å; L662-I696 PolarHBondContact N-O 3.49Å
697A92.1Very high78.7Confident0 Ų032.9 Ų32.90%021%0.205CC..EExtended strand (participates in β ladder)trans-131148.2-165.500000113.9I632 L633 F634 V635 L662 A701I632-A697 HydrophobicContact CD1-CB 4.42Å; I632-A697 HydrophobicContact CG1-CB 4.39Å; L633-A697 PolarHBondContact O-N 2.94Å; F634-A697 WeakPolarHBondContact CA-O 3.41Å; V635-A697 PolarHBondContact N-O 2.94Å; L662-A697 HydrophobicContact CB-CB 4.2Å; L662-A697 WeakPolarHBondContact O-CA 3.45Å; A697-A701 HydrophobicContact CB-CB 3.63Å
698T89.4Confident78.4Confident10 Ų1028.8 Ų28.86%0.06119%0.193CC..  trans-90.2-179160.653.90000110.3R638 V641 L662 T663 V700 A701R638-T698 HydrophobicContact CG-CG2 4.19Å; V641-T698 HydrophobicContact CG2-CG2 3.83Å; L662-T698 PolarHBondContact O-N 2.96Å; L662-T698 VanDerWaalsContact O-N 3.09Å; L662-T698 PolarHBondContact O-OG1 3.13Å; T663-T698 WeakPolarHBondContact CA-OG1 3.29Å; T663-T698 HydrophobicContact CG2-CG2 4.34Å; T698-V700 PolarHBondContact O-N 3.15Å; T698-A701 PolarHBondContact O-N 2.79Å
699S81.5Confident78.5Confident58 Ų5832.7 Ų32.741%0.40621%0.205SC..G310 helixtrans-52.7-10.9178.657.40000116.7A701 D702 Y718S699-A701 PolarHBondContact O-N 2.74Å; S699-D702 WeakPolarHBondContact CB-OD2 3.27Å; S699-D702 WeakPolarHBondContact O-CB 3.36Å; S699-D702 PolarHBondContact O-N 3.17Å; S699-Y718 VanDerWaalsContact CA-OH 3.3Å; S699-Y718 WeakPolarHBondContact CA-OH 3.44Å; S699-Y718 WeakPolarHBondContact CB-OH 3.48Å
700V76.1Confident79.6Confident35 Ų3526.9 Ų26.921%0.21216%0.164CC..G310 helixtrans-59.6-28.7170175.80000112.5T698 D702 I705T698-V700 PolarHBondContact O-N 3.15Å; V700-D702 VanDerWaalsContact C-N 3.3Å; V700-I705 HydrophobicContact CG1-CD1 3.89Å
701A75Confident80.9Confident0 Ų026.2 Ų26.20%015%0.149CC..G310 helixtrans-81.6-3.8174.400000114.3I632 F634 L662 A697 T698 S699 I707 R731I632-A701 HydrophobicContact CD1-CB 3.87Å; F634-A701 HydrophobicContact CE1-CB 3.65Å; F634-A701 HydrophobicContact CZ-CB 3.88Å; L662-A701 HydrophobicContact CD2-CB 4.15Å; A697-A701 HydrophobicContact CB-CB 3.63Å; T698-A701 PolarHBondContact O-N 2.79Å; S699-A701 PolarHBondContact O-N 2.74Å; A701-I707 HydrophobicContact CB-CD1 3.8Å; A701-R731 PolarHBondContact O-NE 3.37Å; A701-R731 PolarHBondContact O-NH2 3.45Å; A701-R731 VanDerWaalsContact O-NH2 3.16Å
702D70.4Confident82Confident0 Ų022 Ų220%013%0.127CC..THydrogen-bonded Turntrans-62.9-50.8177.5-64.1-17.1000110.1F634 S699 V700 Y718 K724 Q727 T728 R731F634-D702 WeakPolarHBondContact CE1-OD1 3.41Å; S699-D702 WeakPolarHBondContact CB-OD2 3.27Å; S699-D702 WeakPolarHBondContact O-CB 3.36Å; S699-D702 PolarHBondContact O-N 3.17Å; V700-D702 VanDerWaalsContact C-N 3.3Å; D702-Y718 VanDerWaalsContact CG-OH 3.26Å; D702-Y718 PolarHBondContact OD1-OH 2.68Å; D702-Y718 PolarHBondContact OD2-OH 2.71Å; D702-K724 HydrophobicContact CB-CG 4.29Å; D702-K724 WeakPolarHBondContact OD2-CD 3.42Å; D702-K724 WeakPolarHBondContact OD2-CE 3.4Å; D702-K724 IonicContact OD2-NZ 2.63Å; D702-K724 PolarHBondContact OD2-NZ 3.25Å; D702-Q727 WeakPolarHBondContact O-CB 3.41Å; D702-T728 HydrophobicContact CB-CG2 4.22Å; D702-T728 WeakPolarHBondContact OD1-CG2 3.42Å; D702-R731 PolarHBondContact O-NE 3.12Å; D702-R731 PolarHBondContact O-NH2 3.46Å
703E71.3Confident82.5Confident38 Ų3820.5 Ų20.518%0.17812%0.119CC..SBendtrans-121.4149.8-159.1-74.7163.8-129.800113.4I705 K724 Q727E703-I705 VanDerWaalsContact C-N 3.29Å; E703-I705 PolarHBondContact O-N 2.85Å; E703-K724 WeakPolarHBondContact OE1-CE 3.14Å; E703-K724 IonicContact OE1-NZ 3.15Å; E703-K724 PolarHBondContact OE1-NZ 3.46Å; E703-Q727 VanDerWaalsContact CG-OE1 3.29Å
704G62.1Low82.8Confident24 Ų2419 Ų1925%0.24711%0.111CC..SBendtrans71.3-64164.400000116.9V303 D706V303-G704 VanDerWaalsContact CG2-C 3.46Å; G704-D706 PolarHBondContact O-N 3.31Å
705I71.3Confident82.9Confident5 Ų519.1 Ų19.13%0.02611%0.111CC..SBendtrans-56132.1-173-60.2178.2000111P302 L683 V700 E703 I707 R731P302-I705 HydrophobicContact CB-CG1 4.4Å; L683-I705 HydrophobicContact CD1-CG2 3.48Å; L683-I705 VanDerWaalsContact CD1-CG2 3.48Å; L683-I705 HydrophobicContact CD2-CG2 3.81Å; L683-I705 HydrophobicContact CG-CG2 4.32Å; V700-I705 HydrophobicContact CG1-CD1 3.89Å; E703-I705 VanDerWaalsContact C-N 3.29Å; E703-I705 PolarHBondContact O-N 2.85Å; I705-I707 HydrophobicContact CG2-CG1 4.14Å; I705-R731 PolarHBondContact O-NH1 3.38Å; I705-R731 PolarHBondContact O-NH2 3.35Å
706D69.9Low83Confident56 Ų5619.1 Ų19.130%0.29911%0.111SC..  trans-81.8119.7171.7-17050.9000112.3R687 G704 R733R687-D706 PolarHBondContact NH2-O 2.91Å; G704-D706 PolarHBondContact O-N 3.31Å; D706-R733 IonicContact OD1-CZ 2.6Å; D706-R733 IonicContact OD1-NH1 3.59Å; D706-R733 PolarHBondContact OD1-NH1 2.79Å; D706-R733 IonicContact OD1-NH2 3.08Å; D706-R733 PolarHBondContact OD1-NH2 2.83Å
707I77.8Confident82.8Confident1 Ų119.4 Ų19.41%0.00511%0.112CC..  trans-112.6148.3-175.7-58.2177.8000108.1I632 L683 F686 L695 A701 I705 R733I632-I707 HydrophobicContact CD1-CD1 3.94Å; L683-I707 HydrophobicContact CD2-CG1 3.93Å; F686-I707 HydrophobicContact CD1-CG2 3.94Å; F686-I707 HydrophobicContact CE1-CG2 3.7Å; L695-I707 HydrophobicContact CD2-CG2 4.37Å; A701-I707 HydrophobicContact CB-CD1 3.8Å; I705-I707 HydrophobicContact CG2-CG1 4.14Å; I707-R733 PolarHBondContact O-NH2 3.45Å
708A76.6Confident82.8Confident17 Ų1720.4 Ų20.414%0.1412%0.117CC..  trans-49.6151173.700000111.8K630 F686 R687 C710K630-A708 HydrophobicContact CD-CB 4.4Å; F686-A708 HydrophobicContact CD1-CB 3.86Å; F686-A708 HydrophobicContact CE1-CB 3.88Å; R687-A708 HydrophobicContact CG-CB 4.19Å; A708-C710 PolarHBondContact O-N 3.36Å; A708-C710 VanDerWaalsContact O-N 3.11Å
709Q79.6Confident82.8Confident118 Ų11821.2 Ų21.255%0.55112%0.121SC*.  trans-65.5115177.5-58.5-167.9-1.600109.5R733 A734Q709-R733 HydrophobicContact CB-CG 4.14Å; Q709-R733 HydrophobicContact CG-CG 3.96Å; Q709-A734 HydrophobicContact CB-CB 4.35Å
710C87.9Confident83Confident0 Ų019.1 Ų19.10%011%0.109CC..BIsolated β-bridgetrans-86.6143.4176.4-59.30000110.6K630 I632 A708 R731 G732 R733 A734K630-C710 WeakPolarHBondContact O-CA 3.29Å; K630-C710 WeakPolarHBondContact O-CB 3.22Å; I632-C710 HydrophobicContact CG2-CB 4.2Å; A708-C710 PolarHBondContact O-N 3.36Å; A708-C710 VanDerWaalsContact O-N 3.11Å; C710-R731 PolarHBondContact N-O 3.1Å; C710-G732 WeakPolarHBondContact O-CA 3.44Å; C710-R733 PolarHBondContact O-N 3.12Å; C710-A734 WeakPolarHBondContact O-CB 3.32Å; C710-A734 PolarHBondContact O-N 2.98Å
711N89.8Confident83.6Confident36 Ų3620 Ų2019%0.19311%0.112CC..SBendtrans-84.6-31.9165.5-4778.6000110.1T629 K630 S737 K738T629-N711 HydrophobicContact CG2-CB 4.27Å; K630-N711 PolarHBondContact N-OD1 3.21Å; K630-N711 PolarHBondContact O-N 3.37Å; N711-S737 CarbonylContact O-C 3.56Å; N711-S737 WeakPolarHBondContact O-CA 3.2Å; N711-S737 WeakPolarHBondContact O-CB 3.28Å; N711-K738 PolarHBondContact O-N 3.42Å
712L93.4Very high84.3Confident2 Ų220.3 Ų20.31%0.0111%0.114CC..EExtended strand (participates in β ladder)trans-125.1125.5-174.4-171.761.2000111.2L619 E622 T629 K630 T631 I632 I714 K738 F740L619-L712 HydrophobicContact CD2-CD2 4.46Å; E622-L712 HydrophobicContact CB-CD2 3.89Å; E622-L712 HydrophobicContact CG-CD1 4.02Å; E622-L712 HydrophobicContact CG-CD2 3.94Å; T629-L712 HydrophobicContact CG2-CB 3.98Å; K630-L712 PolarHBondContact O-N 3.33Å; K630-L712 VanDerWaalsContact O-N 3.16Å; T631-L712 CarbonylContact C-O 3.54Å; T631-L712 VanDerWaalsContact CA-O 3.29Å; T631-L712 WeakPolarHBondContact CA-O 3.46Å; T631-L712 HydrophobicContact CG2-CB 4.12Å; T631-L712 HydrophobicContact CG2-CD2 3.93Å; T631-L712 HydrophobicContact CG2-CG 4.01Å; I632-L712 PolarHBondContact N-O 3.24Å; L712-I714 HydrophobicContact CD1-CG1 4.42Å; L712-I714 HydrophobicContact CD2-CD1 4Å; L712-I714 HydrophobicContact CD2-CG1 4.25Å; L712-I714 HydrophobicContact CG-CD1 4.29Å; L712-I714 HydrophobicContact CG-CG1 3.98Å; L712-K738 HydrophobicContact CD1-CB 4.18Å; L712-F740 HydrophobicContact CD1-CD2 3.54Å; L712-F740 HydrophobicContact CD1-CE2 3.57Å
713V94.4Very high85.2Confident0 Ų021.3 Ų21.30%012%0.119CC..EExtended strand (participates in β ladder)trans-113127.1167.5-179.80000107.7I632 F634 L715 R731 G732 K738 C739 F740I632-V713 HydrophobicContact CG2-CB 4.3Å; I632-V713 HydrophobicContact CG2-CG1 4.24Å; I632-V713 HydrophobicContact CG2-CG2 3.84Å; F634-V713 HydrophobicContact CD2-CG1 4.17Å; F634-V713 HydrophobicContact CE2-CG1 4.17Å; V713-L715 HydrophobicContact CG1-CD2 3.95Å; V713-R731 HydrophobicContact CG2-CB 4.46Å; V713-G732 VanDerWaalsContact CG2-N 3.29Å; V713-K738 PolarHBondContact N-O 2.97Å; V713-C739 HydrophobicContact CB-CB 4.4Å; V713-C739 CarbonylContact O-C 3.46Å; V713-C739 WeakPolarHBondContact O-CA 3.49Å; V713-F740 PolarHBondContact O-N 2.83Å
714I96.4Very high86Confident0 Ų021.9 Ų21.90%012%0.121CC..EExtended strand (participates in β ladder)trans-119.5122174-52.3-179.7000108.1L615 I618 L619 T631 I632 L633 F634 L712L615-I714 HydrophobicContact CD1-CD1 3.82Å; L615-I714 HydrophobicContact CD1-CG2 4.01Å; I618-I714 HydrophobicContact CG2-CD1 4.02Å; L619-I714 HydrophobicContact CD2-CD1 3.91Å; L619-I714 HydrophobicContact CG-CD1 4.34Å; T631-I714 HydrophobicContact CG2-CD1 4.13Å; T631-I714 HydrophobicContact CG2-CG1 4.26Å; I632-I714 PolarHBondContact O-N 2.83Å; L633-I714 WeakPolarHBondContact CA-O 3.27Å; L633-I714 HydrophobicContact CD1-CB 3.74Å; L633-I714 HydrophobicContact CD1-CG2 3.67Å; F634-I714 PolarHBondContact N-O 3.28Å; L712-I714 HydrophobicContact CD1-CG1 4.42Å; L712-I714 HydrophobicContact CD2-CD1 4Å; L712-I714 HydrophobicContact CD2-CG1 4.25Å; L712-I714 HydrophobicContact CG-CD1 4.29Å; L712-I714 HydrophobicContact CG-CG1 3.98Å
715L96Very high87.4Confident1 Ų120.8 Ų20.81%0.00511%0.109CC..EExtended strand (participates in β ladder)trans-97.697.7169.8-50-177.2000106.7F634 V713 Y718 F740 L741 L742F634-L715 HydrophobicContact CB-CD2 3.88Å; F634-L715 HydrophobicContact CD2-CD2 3.76Å; F634-L715 HydrophobicContact CG-CD2 4Å; V713-L715 HydrophobicContact CG1-CD2 3.95Å; L715-Y718 HydrophobicContact CD2-CD1 4.18Å; L715-F740 PolarHBondContact N-O 3.3Å; L715-L741 HydrophobicContact CB-CD1 3.91Å; L715-L742 PolarHBondContact O-N 3.03Å
716Y96.1Very high88.1Confident0 Ų021.2 Ų21.20%011%0.112CC..EExtended strand (participates in β ladder)trans-91.9108.1-178.1-176.3-91.2000108.8D558 K611 L612 L615 F634 V635 L644 Y718 L742D558-Y716 HydrophobicContact CB-CE1 4.33Å; D558-Y716 VanDerWaalsContact O-CE1 3.25Å; D558-Y716 WeakPolarHBondContact O-CE1 3.18Å; D558-Y716 PolarHBondContact O-OH 2.87Å; K611-Y716 HydrophobicContact CB-CE2 4.08Å; K611-Y716 VanDerWaalsContact CB-OH 3.26Å; K611-Y716 WeakPolarHBondContact CB-OH 3.13Å; L612-Y716 WeakPolarHBondContact CD2-OH 3.41Å; L615-Y716 HydrophobicContact CB-CD2 4.39Å; L615-Y716 HydrophobicContact CB-CE2 4.18Å; L615-Y716 HydrophobicContact CD1-CD2 4.41Å; L615-Y716 HydrophobicContact CD2-CD2 3.83Å; L615-Y716 HydrophobicContact CD2-CE2 3.84Å; L615-Y716 HydrophobicContact CG-CD2 4.44Å; F634-Y716 PolarHBondContact O-N 2.85Å; V635-Y716 HydrophobicContact CG1-CD1 4.13Å; L644-Y716 HydrophobicContact CD1-CD1 4.02Å; L644-Y716 HydrophobicContact CD1-CE1 4.2Å; L644-Y716 HydrophobicContact CD1-CG 4.35Å; Y716-Y718 PolarHBondContact O-N 3.34Å; Y716-L742 HydrophobicContact CD2-CD2 3.67Å; Y716-L742 HydrophobicContact CE2-CD2 3.62Å
717E92.6Very high89Confident6 Ų618.7 Ų18.73%0.02810%0.098CC..SBendtrans57.120.3-175.8-84.6-63.4154.700113.8K636 L742 T743 S744K636-E717 WeakPolarHBondContact CD-O 3.42Å; K636-E717 WeakPolarHBondContact CE-O 3.44Å; K636-E717 WeakPolarHBondContact CG-O 3.4Å; K636-E717 PolarHBondContact NZ-O 3.3Å; K636-E717 IonicContact NZ-OE2 2.73Å; K636-E717 PolarHBondContact NZ-OE2 3.06Å; E717-L742 PolarHBondContact N-O 3.5Å; E717-T743 WeakPolarHBondContact OE1-CA 3.23Å; E717-T743 WeakPolarHBondContact OE1-CB 3.4Å; E717-T743 PolarHBondContact OE1-OG1 3.19Å; E717-T743 PolarHBondContact OE2-OG1 3.36Å; E717-T743 VanDerWaalsContact OE2-OG1 3.1Å; E717-S744 PolarHBondContact OE1-N 2.99Å
718Y91.2Very high89.4Confident22 Ų2218.8 Ų18.89%0.08610%0.099CC..  trans-115.6130.3-165.6-172.8-97.7000112.9F634 S699 D702 L715 Y716 L741F634-Y718 HydrophobicContact CB-CD1 3.87Å; F634-Y718 HydrophobicContact CB-CE1 4.2Å; F634-Y718 HydrophobicContact CB-CG 4.08Å; F634-Y718 HydrophobicContact CD1-CE1 4.13Å; F634-Y718 HydrophobicContact CG-CE1 4.43Å; S699-Y718 VanDerWaalsContact CA-OH 3.3Å; S699-Y718 WeakPolarHBondContact CA-OH 3.44Å; S699-Y718 WeakPolarHBondContact CB-OH 3.48Å; D702-Y718 VanDerWaalsContact CG-OH 3.26Å; D702-Y718 PolarHBondContact OD1-OH 2.68Å; D702-Y718 PolarHBondContact OD2-OH 2.71Å; L715-Y718 HydrophobicContact CD2-CD1 4.18Å; Y716-Y718 PolarHBondContact O-N 3.34Å; Y718-L741 WeakPolarHBondContact O-CD1 3.37Å
719V89Confident89.8Confident27 Ų2719.2 Ų19.216%0.16410%0.097CC..  trans-149.1116.5178.155.80000113.2V748 K751 E752V719-V748 HydrophobicContact CB-CG1 3.98Å; V719-V748 HydrophobicContact CG1-CB 4.21Å; V719-V748 HydrophobicContact CG1-CG1 3.76Å; V719-V748 HydrophobicContact CG1-CG2 4.05Å; V719-K751 HydrophobicContact CB-CD 4.43Å; V719-K751 HydrophobicContact CG1-CD 3.87Å; V719-K751 HydrophobicContact CG2-CB 4.14Å; V719-K751 HydrophobicContact CG2-CD 3.68Å; V719-K751 HydrophobicContact CG2-CG 3.82Å; V719-K751 PolarHBondContact O-NZ 3.08Å; V719-E752 HydrophobicContact CG2-CB 4.11Å
720G87Confident89.9Confident13 Ų1314.1 Ų14.113%0.1348%0.076CC..  trans-85.3-152.9-178.800000114.8K751 N755G720-K751 WeakPolarHBondContact O-CE 3.31Å; G720-K751 PolarHBondContact O-NZ 3.42Å; G720-N755 PolarHBondContact O-ND2 3.09Å; G720-N755 VanDerWaalsContact O-ND2 3.08Å
721N88.2Confident89.8Confident54 Ų5414.5 Ų14.529%0.2898%0.077SC..  trans-99177.8160.665.66.4000109.4I723 K724 M725N721-I723 PolarHBondContact O-N 2.83Å; N721-I723 PolarHBondContact OD1-N 2.65Å; N721-K724 PolarHBondContact O-N 3.19Å; N721-K724 WeakPolarHBondContact OD1-CB 3.09Å; N721-K724 WeakPolarHBondContact OD1-CG 3.26Å; N721-K724 PolarHBondContact OD1-N 3.31Å; N721-M725 WeakPolarHBondContact O-CB 3.38Å; N721-M725 PolarHBondContact O-N 3.32Å
722V90.1Very high89.3Confident7 Ų712.8 Ų12.84%0.0427%0.068CC..Hα-helixtrans-54.5-35.6179.262.80000113.9M725 I726 N755 K758 E759V722-M725 HydrophobicContact CG2-CE 4.33Å; V722-I726 HydrophobicContact CG2-CD1 3.98Å; V722-I726 WeakPolarHBondContact O-CD1 3.43Å; V722-I726 VanDerWaalsContact O-CG1 3.29Å; V722-I726 WeakPolarHBondContact O-CG1 3.21Å; V722-I726 PolarHBondContact O-N 3.23Å; V722-I726 VanDerWaalsContact O-N 3.09Å; V722-N755 WeakPolarHBondContact CG2-O 3.41Å; V722-N755 PolarHBondContact N-OD1 3.49Å; V722-N755 VanDerWaalsContact N-OD1 3.1Å; V722-K758 HydrophobicContact CB-CB 3.93Å; V722-K758 HydrophobicContact CG1-CB 4.31Å; V722-K758 HydrophobicContact CG2-CB 3.9Å; V722-E759 HydrophobicContact CG2-CB 4.14Å
723I88.4Confident88.7Confident21 Ų2114 Ų1411%0.1087%0.072CC..Hα-helixtrans-68.3-54.4-179.5-56.9-179.1000109.7H376 N721 M725 I726 Q727H376-I723 HydrophobicContact CB-CD1 4.26Å; N721-I723 PolarHBondContact O-N 2.83Å; N721-I723 PolarHBondContact OD1-N 2.65Å; I723-M725 VanDerWaalsContact C-N 3.29Å; I723-M725 PolarHBondContact O-N 3.11Å; I723-I726 PolarHBondContact O-N 3.27Å; I723-I726 VanDerWaalsContact O-N 3.08Å; I723-Q727 WeakPolarHBondContact O-CG 3.33Å; I723-Q727 PolarHBondContact O-N 3.47Å; I723-Q727 PolarHBondContact O-OE1 3.15Å
724K87.7Confident88.2Confident49 Ų4914.4 Ų14.421%0.2138%0.076CC..Hα-helixtrans-59.5-38.1175.3-71177.3172.5-60.80111.9D702 E703 N721 I726 Q727 T728D702-K724 HydrophobicContact CB-CG 4.29Å; D702-K724 WeakPolarHBondContact OD2-CD 3.42Å; D702-K724 WeakPolarHBondContact OD2-CE 3.4Å; D702-K724 IonicContact OD2-NZ 2.63Å; D702-K724 PolarHBondContact OD2-NZ 3.25Å; E703-K724 WeakPolarHBondContact OE1-CE 3.14Å; E703-K724 IonicContact OE1-NZ 3.15Å; E703-K724 PolarHBondContact OE1-NZ 3.46Å; N721-K724 PolarHBondContact O-N 3.19Å; N721-K724 WeakPolarHBondContact OD1-CB 3.09Å; N721-K724 WeakPolarHBondContact OD1-CG 3.26Å; N721-K724 PolarHBondContact OD1-N 3.31Å; K724-I726 VanDerWaalsContact C-N 3.32Å; K724-I726 PolarHBondContact O-N 3.13Å; K724-Q727 PolarHBondContact O-N 2.97Å; K724-T728 WeakPolarHBondContact O-CB 3.46Å; K724-T728 VanDerWaalsContact O-CG2 3.29Å; K724-T728 WeakPolarHBondContact O-CG2 3.48Å; K724-T728 PolarHBondContact O-N 2.97Å; K724-T728 PolarHBondContact O-OG1 2.86Å
725M91.1Very high87.5Confident1 Ų122.3 Ų22.31%0.00511%0.106CC..Hα-helixtrans-58.3-43.3174.4-175.2-160.863.300111.7N721 V722 I723 T728 R729 E752 N755 M756 E759N721-M725 WeakPolarHBondContact O-CB 3.38Å; N721-M725 PolarHBondContact O-N 3.32Å; V722-M725 HydrophobicContact CG2-CE 4.33Å; I723-M725 VanDerWaalsContact C-N 3.29Å; I723-M725 PolarHBondContact O-N 3.11Å; M725-T728 PolarHBondContact O-OG1 2.95Å; M725-R729 WeakPolarHBondContact O-CB 3.28Å; M725-R729 PolarHBondContact O-N 3.21Å; M725-E752 HydrophobicContact SD-CG 4.47Å; M725-N755 HydrophobicContact CB-CB 4.32Å; M725-N755 HydrophobicContact CE-CB 4.24Å; M725-N755 HydrophobicContact CG-CB 4.4Å; M725-N755 HydrophobicContact SD-CB 3.53Å; M725-N755 VanDerWaalsContact SD-CB 3.53Å; M725-M756 HydrophobicContact CE-CG 4.3Å; M725-M756 HydrophobicContact SD-CG 3.68Å; M725-E759 HydrophobicContact CE-CB 4.02Å; M725-E759 WeakPolarHBondContact CE-OE2 3.42Å
726I87.6Confident87Confident15 Ų1527.1 Ų27.18%0.07713%0.132CC..Hα-helixtrans-71.1-41.8179.2-69.3163.7000110.9A411 V722 I723 K724 G730 E759 M762A411-I726 HydrophobicContact CB-CG2 4.47Å; V722-I726 HydrophobicContact CG2-CD1 3.98Å; V722-I726 WeakPolarHBondContact O-CD1 3.43Å; V722-I726 VanDerWaalsContact O-CG1 3.29Å; V722-I726 WeakPolarHBondContact O-CG1 3.21Å; V722-I726 PolarHBondContact O-N 3.23Å; V722-I726 VanDerWaalsContact O-N 3.09Å; I723-I726 PolarHBondContact O-N 3.27Å; I723-I726 VanDerWaalsContact O-N 3.08Å; K724-I726 VanDerWaalsContact C-N 3.32Å; K724-I726 PolarHBondContact O-N 3.13Å; I726-G730 PolarHBondContact O-N 3.09Å; I726-E759 HydrophobicContact CD1-CB 4.27Å; I726-E759 HydrophobicContact CD1-CG 3.99Å; I726-E759 HydrophobicContact CG1-CG 4.38Å; I726-M762 HydrophobicContact CD1-CE 4.08Å
727Q88Confident86.7Confident2 Ų227.4 Ų27.41%0.00913%0.134CC..Hα-helixtrans-70.2-47.9-178.6-68.2163.3-34.600113.1E374 H376 A411 D702 E703 I723 K724 G730 R731E374-Q727 PolarHBondContact OE2-NE2 2.82Å; E374-Q727 VanDerWaalsContact OE2-NE2 3.12Å; H376-Q727 PolarHBondContact CE1-NE2 3Å; A411-Q727 HydrophobicContact CB-CG 3.86Å; D702-Q727 WeakPolarHBondContact O-CB 3.41Å; E703-Q727 VanDerWaalsContact CG-OE1 3.29Å; I723-Q727 WeakPolarHBondContact O-CG 3.33Å; I723-Q727 PolarHBondContact O-N 3.47Å; I723-Q727 PolarHBondContact O-OE1 3.15Å; K724-Q727 PolarHBondContact O-N 2.97Å; Q727-G730 CarbonylContact O-C 3.48Å; Q727-G730 WeakPolarHBondContact O-CA 3.19Å; Q727-G730 PolarHBondContact O-N 3.27Å; Q727-R731 PolarHBondContact O-N 2.99Å
728T85.8Confident86.7Confident3 Ų329.9 Ų29.92%0.01815%0.145CC..Hα-helixtrans-61.1-44.5175.852.40000111.6F634 D702 K724 M725 G730 R731F634-T728 HydrophobicContact CD1-CG2 4.24Å; F634-T728 HydrophobicContact CE1-CG2 3.74Å; F634-T728 HydrophobicContact CE2-CG2 4.23Å; F634-T728 HydrophobicContact CZ-CG2 3.75Å; D702-T728 HydrophobicContact CB-CG2 4.22Å; D702-T728 WeakPolarHBondContact OD1-CG2 3.42Å; K724-T728 WeakPolarHBondContact O-CB 3.46Å; K724-T728 VanDerWaalsContact O-CG2 3.29Å; K724-T728 WeakPolarHBondContact O-CG2 3.48Å; K724-T728 PolarHBondContact O-N 2.97Å; K724-T728 PolarHBondContact O-OG1 2.86Å; M725-T728 PolarHBondContact O-OG1 2.95Å; T728-G730 VanDerWaalsContact C-N 3.25Å; T728-G730 PolarHBondContact O-N 3.05Å; T728-R731 VanDerWaalsContact O-CB 3.32Å; T728-R731 WeakPolarHBondContact O-CB 3.42Å; T728-R731 WeakPolarHBondContact O-CG 2.99Å; T728-R731 PolarHBondContact O-N 2.75Å
729R85.4Confident86.8Confident26 Ų2628.8 Ų28.810%0.09814%0.14CC..Hα-helixtrans-57.2-40.8171.3-173.1-176.763.1-154.9-2111.3P457 M725 R731 G732 E759P457-R729 HydrophobicContact CG-CG 3.49Å; P457-R729 VanDerWaalsContact CG-CG 3.49Å; P457-R729 WeakPolarHBondContact CG-O 3.47Å; M725-R729 WeakPolarHBondContact O-CB 3.28Å; M725-R729 PolarHBondContact O-N 3.21Å; R729-R731 PolarHBondContact O-N 3.07Å; R729-R731 VanDerWaalsContact O-N 3.14Å; R729-G732 PolarHBondContact O-N 3.11Å; R729-E759 IonicContact CZ-OE1 3.45Å; R729-E759 IonicContact CZ-OE2 3.51Å; R729-E759 IonicContact NH1-OE1 3.27Å; R729-E759 PolarHBondContact NH1-OE1 2.7Å; R729-E759 IonicContact NH1-OE2 3.6Å; R729-E759 PolarHBondContact NH1-OE2 2.73Å; R729-E759 VanDerWaalsContact NH2-CD 3.29Å; R729-E759 IonicContact NH2-OE1 2.67Å; R729-E759 PolarHBondContact NH2-OE1 3.29Å; R729-E759 IonicContact NH2-OE2 4Å; R729-E759 PolarHBondContact NH2-OE2 2.84Å; R729-E759 VanDerWaalsContact NH2-OE2 3.08Å
730G82.4Confident87.2Confident11 Ų1127.7 Ų27.711%0.11313%0.133CC..THydrogen-bonded Turntrans-68.92.5175.400000116.3I726 Q727 T728I726-G730 PolarHBondContact O-N 3.09Å; Q727-G730 CarbonylContact O-C 3.48Å; Q727-G730 WeakPolarHBondContact O-CA 3.19Å; Q727-G730 PolarHBondContact O-N 3.27Å; T728-G730 VanDerWaalsContact C-N 3.25Å; T728-G730 PolarHBondContact O-N 3.05Å
731R84.4Confident87.6Confident9 Ų927 Ų273%0.03413%0.127CC..THydrogen-bonded Turntrans-82.1-34.9164.6-52.2-52.9-175.5170.83.7111.4I632 F634 A701 D702 I705 C710 V713 Q727 T728 R729 R733I632-R731 HydrophobicContact CG2-CB 4.22Å; F634-R731 HydrophobicContact CZ-CG 4.35Å; A701-R731 PolarHBondContact O-NE 3.37Å; A701-R731 PolarHBondContact O-NH2 3.45Å; A701-R731 VanDerWaalsContact O-NH2 3.16Å; D702-R731 PolarHBondContact O-NE 3.12Å; D702-R731 PolarHBondContact O-NH2 3.46Å; I705-R731 PolarHBondContact O-NH1 3.38Å; I705-R731 PolarHBondContact O-NH2 3.35Å; C710-R731 PolarHBondContact N-O 3.1Å; V713-R731 HydrophobicContact CG2-CB 4.46Å; Q727-R731 PolarHBondContact O-N 2.99Å; T728-R731 VanDerWaalsContact O-CB 3.32Å; T728-R731 WeakPolarHBondContact O-CB 3.42Å; T728-R731 WeakPolarHBondContact O-CG 2.99Å; T728-R731 PolarHBondContact O-N 2.75Å; R729-R731 PolarHBondContact O-N 3.07Å; R729-R731 VanDerWaalsContact O-N 3.14Å; R731-R733 VanDerWaalsContact C-N 3.33Å; R731-R733 PolarHBondContact O-N 2.88Å
732G80.6Confident88.1Confident0 Ų024.5 Ų24.50%011%0.113CC..BIsolated β-bridgetrans-76.482.7167.400000109.6P457 C710 V713 R729 S737P457-G732 WeakPolarHBondContact CD-O 3.37Å; P457-G732 VanDerWaalsContact CG-O 3.28Å; P457-G732 WeakPolarHBondContact CG-O 3.35Å; C710-G732 WeakPolarHBondContact O-CA 3.44Å; V713-G732 VanDerWaalsContact CG2-N 3.29Å; R729-G732 PolarHBondContact O-N 3.11Å; G732-S737 PolarHBondContact O-OG 3.2Å
733R81.4Confident88.3Confident26 Ų2624.1 Ų24.110%0.09811%0.111CC..  trans-123.21.3-173.762.9-173.2172.2178.85.3113.9D706 I707 Q709 C710 R731D706-R733 IonicContact OD1-CZ 2.6Å; D706-R733 IonicContact OD1-NH1 3.59Å; D706-R733 PolarHBondContact OD1-NH1 2.79Å; D706-R733 IonicContact OD1-NH2 3.08Å; D706-R733 PolarHBondContact OD1-NH2 2.83Å; I707-R733 PolarHBondContact O-NH2 3.45Å; Q709-R733 HydrophobicContact CB-CG 4.14Å; Q709-R733 HydrophobicContact CG-CG 3.96Å; C710-R733 PolarHBondContact O-N 3.12Å; R731-R733 VanDerWaalsContact C-N 3.33Å; R731-R733 PolarHBondContact O-N 2.88Å
734A83.6Confident88.6Confident10 Ų1024.1 Ų24.18%0.08311%0.113CC..SBendtrans-72.1164169.600000111.2Q709 C710 S737Q709-A734 HydrophobicContact CB-CB 4.35Å; C710-A734 WeakPolarHBondContact O-CB 3.32Å; C710-A734 PolarHBondContact O-N 2.98Å; A734-S737 WeakPolarHBondContact O-CB 3.39Å; A734-S737 PolarHBondContact O-N 3.45Å; A734-S737 PolarHBondContact O-OG 2.6Å
735R81.8Confident88.8Confident166 Ų16625 Ų2563%0.62612%0.12SC*.THydrogen-bonded Turntrans-64.2143.1175.8-176.6169.6173.7169.51.1111.4Y455 S737Y455-R735 HydrophobicContact CD2-CB 4.06Å; Y455-R735 HydrophobicContact CE1-CB 4.47Å; Y455-R735 HydrophobicContact CE1-CG 4.17Å; Y455-R735 HydrophobicContact CE2-CB 3.62Å; Y455-R735 HydrophobicContact CE2-CG 4.15Å; R735-S737 PolarHBondContact O-N 2.73Å
736D84.3Confident88.9Confident101 Ų10127.7 Ų27.754%0.5414%0.142SC..THydrogen-bonded Turntrans56.624-175.3-36.4-38.9000114.6K626K626-D736 IonicContact NZ-OD2 2.63Å; K626-D736 PolarHBondContact NZ-OD2 3.3Å
737S89.4Confident89.1Confident7 Ų732.6 Ų32.65%0.04917%0.169CC..  trans-69.8151.4-175.550.70000114P457 Q458 N711 G732 A734 R735P457-S737 VanDerWaalsContact CA-O 3.23Å; P457-S737 WeakPolarHBondContact CA-O 3.41Å; P457-S737 VanDerWaalsContact CB-C 3.48Å; P457-S737 WeakPolarHBondContact CB-O 3.44Å; Q458-S737 PolarHBondContact N-O 3.35Å; N711-S737 CarbonylContact O-C 3.56Å; N711-S737 WeakPolarHBondContact O-CA 3.2Å; N711-S737 WeakPolarHBondContact O-CB 3.28Å; G732-S737 PolarHBondContact O-OG 3.2Å; A734-S737 WeakPolarHBondContact O-CB 3.39Å; A734-S737 PolarHBondContact O-N 3.45Å; A734-S737 PolarHBondContact O-OG 2.6Å; R735-S737 PolarHBondContact O-N 2.73Å
738K92.7Very high89.3Confident57 Ų5733 Ų3325%0.24817%0.171CC..EExtended strand (participates in β ladder)trans-126.1146.4-175-65.3168.5-176.6168.30111.5I460 E622 N711 L712 V713 F740I460-K738 HydrophobicContact CD1-CB 4.49Å; I460-K738 HydrophobicContact CD1-CD 4.46Å; I460-K738 HydrophobicContact CD1-CG 4.43Å; E622-K738 WeakPolarHBondContact OE1-CD 3.45Å; E622-K738 WeakPolarHBondContact OE1-CE 3.26Å; E622-K738 IonicContact OE1-NZ 3.66Å; E622-K738 PolarHBondContact OE1-NZ 2.98Å; E622-K738 WeakPolarHBondContact OE2-CD 3.37Å; E622-K738 IonicContact OE2-NZ 3.94Å; E622-K738 PolarHBondContact OE2-NZ 2.78Å; N711-K738 PolarHBondContact O-N 3.42Å; L712-K738 HydrophobicContact CD1-CB 4.18Å; V713-K738 PolarHBondContact N-O 2.97Å; K738-F740 HydrophobicContact CB-CD2 4.32Å; K738-F740 HydrophobicContact CB-CE2 3.92Å; K738-F740 HydrophobicContact CD-CE2 4.07Å; K738-F740 HydrophobicContact CD-CZ 4.43Å
739C94.5Very high89.7Confident0 Ų033.7 Ų33.70%017%0.174CC..EExtended strand (participates in β ladder)trans-124.899.7177-178.30000110P457 Q458 K459 I460 V713P457-C739 HydrophobicContact CB-CB 4.33Å; P457-C739 HydrophobicContact CG-CB 4.24Å; Q458-C739 PolarHBondContact O-N 3.35Å; K459-C739 CarbonylContact C-O 3.57Å; K459-C739 VanDerWaalsContact CA-O 3.31Å; K459-C739 WeakPolarHBondContact CA-O 3.2Å; I460-C739 PolarHBondContact N-O 2.84Å; V713-C739 HydrophobicContact CB-CB 4.4Å; V713-C739 CarbonylContact O-C 3.46Å; V713-C739 WeakPolarHBondContact O-CA 3.49Å
740F96.1Very high90.2Very high3 Ų337.2 Ų37.21%0.01319%0.192CC..EExtended strand (participates in β ladder)trans-84.8140.1175-70.5-95000111.2I460 R462 I618 E622 L712 V713 L715 K738I460-F740 HydrophobicContact CB-CD1 3.84Å; I460-F740 HydrophobicContact CB-CE1 3.99Å; I460-F740 HydrophobicContact CB-CG 4.39Å; I460-F740 HydrophobicContact CD1-CD1 4.41Å; I460-F740 HydrophobicContact CD1-CE1 3.84Å; I460-F740 HydrophobicContact CD1-CE2 4.14Å; I460-F740 HydrophobicContact CD1-CZ 3.7Å; I460-F740 HydrophobicContact CG2-CD1 3.77Å; I460-F740 HydrophobicContact CG2-CE1 3.68Å; I460-F740 CarbonylContact O-C 3.55Å; I460-F740 WeakPolarHBondContact O-CA 3.44Å; R462-F740 HydrophobicContact CG-CD1 3.81Å; R462-F740 HydrophobicContact CG-CE1 4.28Å; I618-F740 HydrophobicContact CD1-CD1 3.91Å; I618-F740 HydrophobicContact CD1-CE1 4.32Å; I618-F740 HydrophobicContact CD1-CG 4.32Å; I618-F740 HydrophobicContact CG1-CD1 4.34Å; I618-F740 HydrophobicContact CG1-CE1 4.26Å; I618-F740 HydrophobicContact CG2-CD1 4.41Å; I618-F740 HydrophobicContact CG2-CD2 3.99Å; I618-F740 HydrophobicContact CG2-CE1 4.38Å; I618-F740 HydrophobicContact CG2-CE2 3.95Å; I618-F740 HydrophobicContact CG2-CG 4.21Å; I618-F740 HydrophobicContact CG2-CZ 4.14Å; E622-F740 HydrophobicContact CG-CE2 4.41Å; L712-F740 HydrophobicContact CD1-CD2 3.54Å; L712-F740 HydrophobicContact CD1-CE2 3.57Å; V713-F740 PolarHBondContact O-N 2.83Å; L715-F740 PolarHBondContact N-O 3.3Å; K738-F740 HydrophobicContact CB-CD2 4.32Å; K738-F740 HydrophobicContact CB-CE2 3.92Å; K738-F740 HydrophobicContact CD-CE2 4.07Å; K738-F740 HydrophobicContact CD-CZ 4.43Å
741L96.8Very high90.7Very high0 Ų041.3 Ų41.30%021%0.207CC..EExtended strand (participates in β ladder)trans-113.3110.4159.9170.656.5000107.5I460 F461 R462 L715 Y718 T743 V748 E752I460-L741 PolarHBondContact O-N 3.42Å; F461-L741 HydrophobicContact CD1-CB 4.44Å; F461-L741 HydrophobicContact CD1-CD2 3.98Å; F461-L741 HydrophobicContact CE1-CD2 3.97Å; R462-L741 PolarHBondContact N-O 2.67Å; L715-L741 HydrophobicContact CB-CD1 3.91Å; Y718-L741 WeakPolarHBondContact O-CD1 3.37Å; L741-T743 HydrophobicContact CD1-CG2 4.44Å; L741-T743 HydrophobicContact CG-CG2 4.35Å; L741-V748 HydrophobicContact CD1-CG1 3.99Å; L741-V748 HydrophobicContact CD2-CG1 4.32Å; L741-E752 HydrophobicContact CD2-CB 3.73Å; L741-E752 HydrophobicContact CD2-CG 3.89Å
742L97.1Very high91.2Very high0 Ų041 Ų410%021%0.205CC..EExtended strand (participates in β ladder)trans-107.9122.6178.8-174.4148000109.4R462 V464 K611 D614 L615 I618 L715 Y716 E717R462-L742 HydrophobicContact CB-CB 4.37Å; R462-L742 HydrophobicContact CB-CD1 4.47Å; R462-L742 HydrophobicContact CB-CG 4.39Å; R462-L742 WeakPolarHBondContact O-CA 3.5Å; V464-L742 HydrophobicContact CG1-CD1 4.22Å; V464-L742 HydrophobicContact CG1-CD2 4.43Å; V464-L742 HydrophobicContact CG1-CG 4.04Å; V464-L742 HydrophobicContact CG2-CD2 4.06Å; V464-L742 HydrophobicContact CG2-CG 4.41Å; K611-L742 HydrophobicContact CB-CD2 4.27Å; D614-L742 HydrophobicContact CB-CD1 3.7Å; L615-L742 HydrophobicContact CB-CD1 4.48Å; I618-L742 HydrophobicContact CD1-CD1 3.64Å; L715-L742 PolarHBondContact O-N 3.03Å; Y716-L742 HydrophobicContact CD2-CD2 3.67Å; Y716-L742 HydrophobicContact CE2-CD2 3.62Å; E717-L742 PolarHBondContact N-O 3.5Å
743T95.8Very high91.9Very high0 Ų045.5 Ų45.50%023%0.225CC..EExtended strand (participates in β ladder)trans-162.1148.1-177.1179.10000111.8R462 K463 V464 E717 L741 N745 V748 I749R462-T743 PolarHBondContact O-N 2.92Å; R462-T743 VanDerWaalsContact O-N 3.14Å; K463-T743 WeakPolarHBondContact CA-O 3.37Å; V464-T743 PolarHBondContact N-O 3.3Å; E717-T743 WeakPolarHBondContact OE1-CA 3.23Å; E717-T743 WeakPolarHBondContact OE1-CB 3.4Å; E717-T743 PolarHBondContact OE1-OG1 3.19Å; E717-T743 PolarHBondContact OE2-OG1 3.36Å; E717-T743 VanDerWaalsContact OE2-OG1 3.1Å; L741-T743 HydrophobicContact CD1-CG2 4.44Å; L741-T743 HydrophobicContact CG-CG2 4.35Å; T743-N745 PolarHBondContact OG1-N 3.19Å; T743-V748 HydrophobicContact CG2-CB 4.02Å; T743-V748 HydrophobicContact CG2-CG1 3.74Å; T743-I749 HydrophobicContact CG2-CD1 4.05Å; T743-I749 HydrophobicContact CG2-CG1 3.66Å
744S94.1Very high92.5Very high21 Ų2146.5 Ų46.515%0.14724%0.239CC..SBendtrans-88.6-6.9167.671.20000114K463 V464 S466 K611 E717K463-S744 PolarHBondContact NZ-O 3.08Å; V464-S744 WeakPolarHBondContact O-CA 3.19Å; V464-S744 WeakPolarHBondContact O-CB 3.29Å; S466-S744 WeakPolarHBondContact OG-CB 3.49Å; S466-S744 PolarHBondContact OG-OG 3.28Å; K611-S744 WeakPolarHBondContact CE-OG 3.34Å; E717-S744 PolarHBondContact OE1-N 2.99Å
745N92.3Very high93Very high68 Ų6846.5 Ų46.536%0.36424%0.238SC..  trans-96.9126.2-177.9-170.6-19.9000112.5T743 D747 V748T743-N745 PolarHBondContact OG1-N 3.19Å; N745-D747 WeakPolarHBondContact OD1-CB 3.33Å; N745-D747 PolarHBondContact OD1-N 3.37Å; N745-V748 HydrophobicContact CB-CB 4.31Å; N745-V748 HydrophobicContact CB-CG2 3.83Å; N745-V748 PolarHBondContact O-N 2.83Å
746A93Very high93.6Very high56 Ų5642.3 Ų42.346%0.46323%0.226SC..Hα-helixtrans-67.6-35.8176.300000113.1V748 I749 E750A746-V748 PolarHBondContact O-N 3.48Å; A746-I749 WeakPolarHBondContact O-CB 3.21Å; A746-I749 PolarHBondContact O-N 2.77Å; A746-E750 PolarHBondContact O-N 3.01Å
747D91.5Very high94.1Very high119 Ų11942.7 Ų42.764%0.63622%0.223SC*.Hα-helixtrans-62.3-31.8179.4-61.9-26.2000111.8N745 I749 K751N745-D747 WeakPolarHBondContact OD1-CB 3.33Å; N745-D747 PolarHBondContact OD1-N 3.37Å; D747-I749 VanDerWaalsContact C-N 3.35Å; D747-K751 WeakPolarHBondContact O-CB 3.45Å; D747-K751 PolarHBondContact O-N 3.39Å
748V92.5Very high94.5Very high11 Ų1144.2 Ų44.27%0.06723%0.229CC..Hα-helixtrans-66.1-39.6176171.50000110.4V719 L741 T743 N745 A746 E752V719-V748 HydrophobicContact CB-CG1 3.98Å; V719-V748 HydrophobicContact CG1-CB 4.21Å; V719-V748 HydrophobicContact CG1-CG1 3.76Å; V719-V748 HydrophobicContact CG1-CG2 4.05Å; L741-V748 HydrophobicContact CD1-CG1 3.99Å; L741-V748 HydrophobicContact CD2-CG1 4.32Å; T743-V748 HydrophobicContact CG2-CB 4.02Å; T743-V748 HydrophobicContact CG2-CG1 3.74Å; N745-V748 HydrophobicContact CB-CB 4.31Å; N745-V748 HydrophobicContact CB-CG2 3.83Å; N745-V748 PolarHBondContact O-N 2.83Å; A746-V748 PolarHBondContact O-N 3.48Å; V748-E752 WeakPolarHBondContact O-CB 3.14Å; V748-E752 PolarHBondContact O-N 3.22Å
749I94.3Very high94.6Very high16 Ų1642.3 Ų42.38%0.08222%0.221CC..Hα-helixtrans-70-47.1176.2-63.7175.3000110.9F461 K463 T743 A746 D747 E752 K753F461-I749 HydrophobicContact CD1-CB 4.48Å; F461-I749 HydrophobicContact CD1-CG1 4.36Å; F461-I749 HydrophobicContact CD1-CG2 3.82Å; F461-I749 HydrophobicContact CE1-CG2 4.15Å; K463-I749 HydrophobicContact CB-CD1 3.78Å; T743-I749 HydrophobicContact CG2-CD1 4.05Å; T743-I749 HydrophobicContact CG2-CG1 3.66Å; A746-I749 WeakPolarHBondContact O-CB 3.21Å; A746-I749 PolarHBondContact O-N 2.77Å; D747-I749 VanDerWaalsContact C-N 3.35Å; I749-E752 PolarHBondContact O-N 2.85Å; I749-K753 HydrophobicContact CG2-CD 4.2Å; I749-K753 WeakPolarHBondContact O-CG 3.45Å; I749-K753 PolarHBondContact O-N 3.42Å
750E94.8Very high94.7Very high100 Ų10048.8 Ų48.847%0.46725%0.249SC..Hα-helixtrans-67.2-37.5179.4-62.3-44.6124.700112.6A746 E752 K753 A754A746-E750 PolarHBondContact O-N 3.01Å; E750-E752 VanDerWaalsContact C-N 3.3Å; E750-E752 PolarHBondContact O-N 3.4Å; E750-K753 PolarHBondContact O-N 3.22Å; E750-K753 IonicContact OE1-NZ 2.69Å; E750-K753 PolarHBondContact OE1-NZ 3.26Å; E750-K753 WeakPolarHBondContact OE2-CD 3.27Å; E750-K753 IonicContact OE2-NZ 3.53Å; E750-K753 PolarHBondContact OE2-NZ 3.48Å; E750-A754 WeakPolarHBondContact O-CB 3.06Å; E750-A754 PolarHBondContact O-N 2.87Å
751K94.3Very high94.7Very high98 Ų9848.9 Ų48.943%0.42625%0.25SC..Hα-helixtrans-60.9-39.1172-177.3-176.9172.6-156.20111.7V719 G720 D747 A754 N755V719-K751 HydrophobicContact CB-CD 4.43Å; V719-K751 HydrophobicContact CG1-CD 3.87Å; V719-K751 HydrophobicContact CG2-CB 4.14Å; V719-K751 HydrophobicContact CG2-CD 3.68Å; V719-K751 HydrophobicContact CG2-CG 3.82Å; V719-K751 PolarHBondContact O-NZ 3.08Å; G720-K751 WeakPolarHBondContact O-CE 3.31Å; G720-K751 PolarHBondContact O-NZ 3.42Å; D747-K751 WeakPolarHBondContact O-CB 3.45Å; D747-K751 PolarHBondContact O-N 3.39Å; K751-A754 WeakPolarHBondContact O-CB 3.24Å; K751-A754 PolarHBondContact O-N 3.04Å; K751-N755 PolarHBondContact O-N 2.97Å
752E94.1Very high94.8Very high1 Ų149.1 Ų49.11%0.00525%0.251CS..Hα-helixtrans-75.8-34.8178.9-164.87613800112.7K459 F461 V719 M725 L741 V748 I749 E750 A754 N755 M756K459-E752 WeakPolarHBondContact CE-OE1 3.45Å; K459-E752 IonicContact NZ-OE1 2.69Å; K459-E752 PolarHBondContact NZ-OE1 2.6Å; F461-E752 HydrophobicContact CE1-CB 4.25Å; F461-E752 HydrophobicContact CE1-CG 4.37Å; V719-E752 HydrophobicContact CG2-CB 4.11Å; M725-E752 HydrophobicContact SD-CG 4.47Å; L741-E752 HydrophobicContact CD2-CB 3.73Å; L741-E752 HydrophobicContact CD2-CG 3.89Å; V748-E752 WeakPolarHBondContact O-CB 3.14Å; V748-E752 PolarHBondContact O-N 3.22Å; I749-E752 PolarHBondContact O-N 2.85Å; E750-E752 VanDerWaalsContact C-N 3.3Å; E750-E752 PolarHBondContact O-N 3.4Å; E752-A754 VanDerWaalsContact C-N 3.29Å; E752-A754 PolarHBondContact O-N 2.95Å; E752-N755 WeakPolarHBondContact O-CB 3.12Å; E752-N755 PolarHBondContact O-N 3.3Å; E752-N755 PolarHBondContact OE2-ND2 3.43Å; E752-M756 WeakPolarHBondContact O-CG 3.39Å; E752-M756 PolarHBondContact O-N 3.19Å
753K94.7Very high94.7Very high95 Ų9552.5 Ų52.541%0.41327%0.269SS..Hα-helixtrans-58.8-41.1166.3-72.4166174.2175.50111.4F461 I749 E750 M756 F757F461-K753 HydrophobicContact CZ-CG 4.23Å; I749-K753 HydrophobicContact CG2-CD 4.2Å; I749-K753 WeakPolarHBondContact O-CG 3.45Å; I749-K753 PolarHBondContact O-N 3.42Å; E750-K753 PolarHBondContact O-N 3.22Å; E750-K753 IonicContact OE1-NZ 2.69Å; E750-K753 PolarHBondContact OE1-NZ 3.26Å; E750-K753 WeakPolarHBondContact OE2-CD 3.27Å; E750-K753 IonicContact OE2-NZ 3.53Å; E750-K753 PolarHBondContact OE2-NZ 3.48Å; K753-M756 WeakPolarHBondContact O-CB 3.49Å; K753-M756 PolarHBondContact O-N 3.19Å; K753-F757 PolarHBondContact O-N 3.17Å
754A94.8Very high94.8Very high48 Ų4855.9 Ų55.940%0.39729%0.285SS..Hα-helixtrans-65.8-37.1174.200000112.4E750 K751 E752 F757 K758E750-A754 WeakPolarHBondContact O-CB 3.06Å; E750-A754 PolarHBondContact O-N 2.87Å; K751-A754 WeakPolarHBondContact O-CB 3.24Å; K751-A754 PolarHBondContact O-N 3.04Å; E752-A754 VanDerWaalsContact C-N 3.29Å; E752-A754 PolarHBondContact O-N 2.95Å; A754-F757 PolarHBondContact O-N 2.84Å; A754-K758 WeakPolarHBondContact O-CB 3.34Å; A754-K758 WeakPolarHBondContact O-CG 3.38Å; A754-K758 PolarHBondContact O-N 3Å
755N94.9Very high95Very high10 Ų1054.9 Ų54.95%0.05328%0.278CS..Hα-helixtrans-62.8-39.5170.7-75-29.7000111.7G720 V722 M725 K751 E752 K758 E759G720-N755 PolarHBondContact O-ND2 3.09Å; G720-N755 VanDerWaalsContact O-ND2 3.08Å; V722-N755 WeakPolarHBondContact CG2-O 3.41Å; V722-N755 PolarHBondContact N-OD1 3.49Å; V722-N755 VanDerWaalsContact N-OD1 3.1Å; M725-N755 HydrophobicContact CB-CB 4.32Å; M725-N755 HydrophobicContact CE-CB 4.24Å; M725-N755 HydrophobicContact CG-CB 4.4Å; M725-N755 HydrophobicContact SD-CB 3.53Å; M725-N755 VanDerWaalsContact SD-CB 3.53Å; K751-N755 PolarHBondContact O-N 2.97Å; E752-N755 WeakPolarHBondContact O-CB 3.12Å; E752-N755 PolarHBondContact O-N 3.3Å; E752-N755 PolarHBondContact OE2-ND2 3.43Å; N755-K758 WeakPolarHBondContact O-CB 3.36Å; N755-K758 PolarHBondContact O-N 3.44Å; N755-E759 PolarHBondContact O-N 2.94Å
756M94.2Very high95.3Very high78 Ų7851.9 Ų51.938%0.38426%0.262SS..Hα-helixtrans-65.7-38174.2-70175.258.500112.6K459 F461 M725 E752 K753 E759 K760K459-M756 HydrophobicContact CD-SD 4.38Å; F461-M756 HydrophobicContact CE2-SD 4.25Å; F461-M756 HydrophobicContact CZ-SD 3.83Å; M725-M756 HydrophobicContact CE-CG 4.3Å; M725-M756 HydrophobicContact SD-CG 3.68Å; E752-M756 WeakPolarHBondContact O-CG 3.39Å; E752-M756 PolarHBondContact O-N 3.19Å; K753-M756 WeakPolarHBondContact O-CB 3.49Å; K753-M756 PolarHBondContact O-N 3.19Å; M756-E759 PolarHBondContact O-N 3.32Å; M756-K760 PolarHBondContact O-N 3.39Å
757F95.2Very high95.5Very high108 Ų10852.7 Ų52.747%0.47426%0.264SS..Hα-helixtrans-64.8-40.9170.9-178.8-98.1000111.8K753 A754 E759 K760 I761K753-F757 PolarHBondContact O-N 3.17Å; A754-F757 PolarHBondContact O-N 2.84Å; F757-E759 VanDerWaalsContact C-N 3.33Å; F757-E759 PolarHBondContact O-N 3.27Å; F757-K760 WeakPolarHBondContact O-CB 3.18Å; F757-K760 PolarHBondContact O-N 2.93Å; F757-K760 VanDerWaalsContact O-N 3.09Å; F757-I761 HydrophobicContact CD1-CD1 4.46Å; F757-I761 HydrophobicContact CD1-CG2 4.35Å; F757-I761 HydrophobicContact CE1-CD1 4.15Å; F757-I761 HydrophobicContact CE1-CG2 3.77Å; F757-I761 HydrophobicContact CE2-CG2 4.26Å; F757-I761 HydrophobicContact CZ-CG2 3.72Å; F757-I761 PolarHBondContact O-N 3.08Å
758K96.4Very high95.7Very high39 Ų3951.8 Ų51.817%0.1725%0.252CS..Hα-helixtrans-60.5-37.6174-77.8-173.6173.6-171.20112.6V415 G416 A418 V722 A754 N755 I761 M762V415-K758 HydrophobicContact CG2-CB 3.76Å; V415-K758 HydrophobicContact CG2-CD 3.75Å; V415-K758 HydrophobicContact CG2-CG 3.69Å; G416-K758 PolarHBondContact O-NZ 3.33Å; A418-K758 VanDerWaalsContact O-CE 3.3Å; A418-K758 WeakPolarHBondContact O-CE 3.43Å; V722-K758 HydrophobicContact CB-CB 3.93Å; V722-K758 HydrophobicContact CG1-CB 4.31Å; V722-K758 HydrophobicContact CG2-CB 3.9Å; A754-K758 WeakPolarHBondContact O-CB 3.34Å; A754-K758 WeakPolarHBondContact O-CG 3.38Å; A754-K758 PolarHBondContact O-N 3Å; N755-K758 WeakPolarHBondContact O-CB 3.36Å; N755-K758 PolarHBondContact O-N 3.44Å; K758-I761 WeakPolarHBondContact O-CG1 3.32Å; K758-M762 VanDerWaalsContact O-CB 3.27Å; K758-M762 WeakPolarHBondContact O-CB 3.47Å; K758-M762 PolarHBondContact O-N 2.83Å
759E95.7Very high95.9Very high17 Ų1751.6 Ų51.68%0.07925%0.25CS..Hα-helixtrans-62.1-41.8171.4178.7-179.2166.400111.8K456 V722 M725 I726 R729 N755 M756 F757 M762 N763K456-E759 WeakPolarHBondContact CE-OE1 3.45Å; K456-E759 IonicContact NZ-OE1 2.62Å; K456-E759 PolarHBondContact NZ-OE1 2.92Å; V722-E759 HydrophobicContact CG2-CB 4.14Å; M725-E759 HydrophobicContact CE-CB 4.02Å; M725-E759 WeakPolarHBondContact CE-OE2 3.42Å; I726-E759 HydrophobicContact CD1-CB 4.27Å; I726-E759 HydrophobicContact CD1-CG 3.99Å; I726-E759 HydrophobicContact CG1-CG 4.38Å; R729-E759 IonicContact CZ-OE1 3.45Å; R729-E759 IonicContact CZ-OE2 3.51Å; R729-E759 IonicContact NH1-OE1 3.27Å; R729-E759 PolarHBondContact NH1-OE1 2.7Å; R729-E759 IonicContact NH1-OE2 3.6Å; R729-E759 PolarHBondContact NH1-OE2 2.73Å; R729-E759 VanDerWaalsContact NH2-CD 3.29Å; R729-E759 IonicContact NH2-OE1 2.67Å; R729-E759 PolarHBondContact NH2-OE1 3.29Å; R729-E759 IonicContact NH2-OE2 4Å; R729-E759 PolarHBondContact NH2-OE2 2.84Å; R729-E759 VanDerWaalsContact NH2-OE2 3.08Å; N755-E759 PolarHBondContact O-N 2.94Å; M756-E759 PolarHBondContact O-N 3.32Å; F757-E759 VanDerWaalsContact C-N 3.33Å; F757-E759 PolarHBondContact O-N 3.27Å; E759-M762 WeakPolarHBondContact O-CB 3.41Å; E759-M762 PolarHBondContact O-N 3.1Å; E759-N763 VanDerWaalsContact O-CG 3.31Å; E759-N763 PolarHBondContact O-N 3.38Å; E759-N763 VanDerWaalsContact O-N 3.1Å; E759-N763 PolarHBondContact O-ND2 3.38Å
760K95.6Very high96Very high137 Ų13753.1 Ų53.160%0.59626%0.257SS*.Hα-helixtrans-62.4-52.3178-174.3-175.8174.8-174.90111.8M756 F757 M762 N763 E764M756-K760 PolarHBondContact O-N 3.39Å; F757-K760 WeakPolarHBondContact O-CB 3.18Å; F757-K760 PolarHBondContact O-N 2.93Å; F757-K760 VanDerWaalsContact O-N 3.09Å; K760-M762 VanDerWaalsContact C-N 3.28Å; K760-M762 PolarHBondContact O-N 3.08Å; K760-N763 PolarHBondContact O-N 2.92Å; K760-E764 PolarHBondContact O-N 3.45Å
761I97.5Very high96.1Very high5 Ų552.3 Ų52.33%0.02627%0.268CS..Hα-helixtrans-67.9-28.2-179.466.7177.9000112.1V415 V421 A424 F757 K758 S765V415-I761 HydrophobicContact CG1-CG1 4.47Å; V421-I761 HydrophobicContact CG2-CB 4.2Å; V421-I761 HydrophobicContact CG2-CG2 4.05Å; A424-I761 HydrophobicContact CB-CD1 4.23Å; A424-I761 HydrophobicContact CB-CG1 4.25Å; F757-I761 HydrophobicContact CD1-CD1 4.46Å; F757-I761 HydrophobicContact CD1-CG2 4.35Å; F757-I761 HydrophobicContact CE1-CD1 4.15Å; F757-I761 HydrophobicContact CE1-CG2 3.77Å; F757-I761 HydrophobicContact CE2-CG2 4.26Å; F757-I761 HydrophobicContact CZ-CG2 3.72Å; F757-I761 PolarHBondContact O-N 3.08Å; K758-I761 WeakPolarHBondContact O-CG1 3.32Å; I761-S765 VanDerWaalsContact O-CB 3.23Å; I761-S765 WeakPolarHBondContact O-CB 2.91Å; I761-S765 PolarHBondContact O-N 3.33Å; I761-S765 PolarHBondContact O-OG 2.85Å
762M97.8Very high96.1Very high4 Ų451.1 Ų51.12%0.0226%0.261CS..Hα-helixtrans-60.7-52.8171.2-172.2-169.27200111S412 V413 V415 I428 I726 K758 E759 K760 E764 S765 I766S412-M762 PolarHBondContact OG-SD 3.05Å; V413-M762 HydrophobicContact CG2-CG 3.69Å; V413-M762 HydrophobicContact CG2-SD 3.79Å; V415-M762 HydrophobicContact CG1-CB 3.57Å; V415-M762 HydrophobicContact CG1-CG 3.94Å; I428-M762 HydrophobicContact CD1-CG 4.26Å; I726-M762 HydrophobicContact CD1-CE 4.08Å; K758-M762 VanDerWaalsContact O-CB 3.27Å; K758-M762 WeakPolarHBondContact O-CB 3.47Å; K758-M762 PolarHBondContact O-N 2.83Å; E759-M762 WeakPolarHBondContact O-CB 3.41Å; E759-M762 PolarHBondContact O-N 3.1Å; K760-M762 VanDerWaalsContact C-N 3.28Å; K760-M762 PolarHBondContact O-N 3.08Å; M762-E764 PolarHBondContact O-N 3.36Å; M762-S765 WeakPolarHBondContact O-CB 3.31Å; M762-S765 PolarHBondContact O-N 3.3Å; M762-I766 HydrophobicContact CE-CD1 4.49Å; M762-I766 HydrophobicContact CG-CD1 4.2Å; M762-I766 WeakPolarHBondContact O-CG1 3.41Å; M762-I766 PolarHBondContact O-N 2.88Å
763N96.2Very high96.1Very high72 Ų7255.6 Ų55.639%0.38529%0.285SS..Hα-helixtrans-63.8-42-178.6-65.8-15.7000111.2E759 K760 S765 I766 S767E759-N763 VanDerWaalsContact O-CG 3.31Å; E759-N763 PolarHBondContact O-N 3.38Å; E759-N763 VanDerWaalsContact O-N 3.1Å; E759-N763 PolarHBondContact O-ND2 3.38Å; K760-N763 PolarHBondContact O-N 2.92Å; N763-S765 VanDerWaalsContact C-N 3.34Å; N763-S765 PolarHBondContact O-N 2.85Å; N763-I766 PolarHBondContact O-N 3.46Å; N763-S767 PolarHBondContact O-N 2.99Å; N763-S767 PolarHBondContact O-OG 2.79Å
764E97.6Very high95.9Very high70 Ų7055.8 Ų55.833%0.32729%0.286SS..Hα-helixtrans-62.2-40.7174.5-166.9-178.2151.600112.1V421 K760 M762 S767 R768V421-E764 HydrophobicContact CG1-CB 4.49Å; V421-E764 HydrophobicContact CG1-CG 4.32Å; K760-E764 PolarHBondContact O-N 3.45Å; M762-E764 PolarHBondContact O-N 3.36Å; E764-S767 PolarHBondContact O-N 2.92Å; E764-R768 WeakPolarHBondContact O-CB 3.33Å; E764-R768 WeakPolarHBondContact O-CG 3.45Å; E764-R768 PolarHBondContact O-N 3.27Å; E764-R768 IonicContact OE1-CZ 3.98Å; E764-R768 IonicContact OE1-NE 2.71Å; E764-R768 PolarHBondContact OE1-NE 3.27Å; E764-R768 IonicContact OE1-NH2 2.72Å; E764-R768 PolarHBondContact OE1-NH2 2.78Å
765S98.1Very high95.8Very high0 Ų058.5 Ų58.50%029%0.292CS..Hα-helixtrans-62.6-44.3176-61.90000112.2V421 A424 M425 I761 M762 N763 R768 L769V421-S765 PolarHBondContact O-OG 2.78Å; A424-S765 VanDerWaalsContact CB-OG 3.26Å; A424-S765 WeakPolarHBondContact CB-OG 3.47Å; M425-S765 VanDerWaalsContact CG-CB 3.49Å; M425-S765 PolarHBondContact N-OG 3.4Å; I761-S765 VanDerWaalsContact O-CB 3.23Å; I761-S765 WeakPolarHBondContact O-CB 2.91Å; I761-S765 PolarHBondContact O-N 3.33Å; I761-S765 PolarHBondContact O-OG 2.85Å; M762-S765 WeakPolarHBondContact O-CB 3.31Å; M762-S765 PolarHBondContact O-N 3.3Å; N763-S765 VanDerWaalsContact C-N 3.34Å; N763-S765 PolarHBondContact O-N 2.85Å; S765-R768 PolarHBondContact O-N 3.02Å; S765-L769 WeakPolarHBondContact O-CB 3.37Å; S765-L769 VanDerWaalsContact O-CG 3.28Å; S765-L769 WeakPolarHBondContact O-CG 3.1Å; S765-L769 PolarHBondContact O-N 3.14Å
766I97.8Very high95.8Very high5 Ų563 Ų633%0.02631%0.312CS..Hα-helixtrans-60.8-48.3176.2-64.8164.6000110V413 I428 I440 T442 M762 N763 R768 L769 Q770V413-I766 HydrophobicContact CG2-CD1 3.88Å; V413-I766 HydrophobicContact CG2-CG1 4.23Å; I428-I766 HydrophobicContact CD1-CG1 4.13Å; I440-I766 HydrophobicContact CB-CG2 4.48Å; I440-I766 HydrophobicContact CG2-CG2 3.87Å; T442-I766 HydrophobicContact CG2-CG2 3.89Å; M762-I766 HydrophobicContact CE-CD1 4.49Å; M762-I766 HydrophobicContact CG-CD1 4.2Å; M762-I766 WeakPolarHBondContact O-CG1 3.41Å; M762-I766 PolarHBondContact O-N 2.88Å; N763-I766 PolarHBondContact O-N 3.46Å; I766-R768 VanDerWaalsContact C-N 3.34Å; I766-R768 PolarHBondContact O-N 2.78Å; I766-L769 PolarHBondContact O-N 3.03Å; I766-Q770 HydrophobicContact CG2-CG 4.18Å; I766-Q770 WeakPolarHBondContact O-CB 3.36Å; I766-Q770 WeakPolarHBondContact O-CG 3.17Å; I766-Q770 PolarHBondContact O-N 2.8Å
767S96.9Very high95.8Very high74 Ų7459.9 Ų59.952%0.51730%0.296SS..Hα-helixtrans-60.2-41.6178.2-61.20000112.5N763 E764 A771N763-S767 PolarHBondContact O-N 2.99Å; N763-S767 PolarHBondContact O-OG 2.79Å; E764-S767 PolarHBondContact O-N 2.92Å; S767-A771 WeakPolarHBondContact O-CB 3.46Å; S767-A771 PolarHBondContact O-N 2.76Å
768R97.3Very high95.8Very high99 Ų9957.6 Ų57.637%0.37429%0.287SS..Hα-helixtrans-64.3-40.5175-73.1178.1-177.5-153.65.1112.3D422 M425 E764 S765 I766 A771 W772D422-R768 IonicContact OD1-NH1 3.57Å; M425-R768 HydrophobicContact CE-CB 3.67Å; M425-R768 HydrophobicContact SD-CB 3.76Å; M425-R768 VanDerWaalsContact SD-CD 3.55Å; M425-R768 HydrophobicContact SD-CG 4.34Å; E764-R768 WeakPolarHBondContact O-CB 3.33Å; E764-R768 WeakPolarHBondContact O-CG 3.45Å; E764-R768 PolarHBondContact O-N 3.27Å; E764-R768 IonicContact OE1-CZ 3.98Å; E764-R768 IonicContact OE1-NE 2.71Å; E764-R768 PolarHBondContact OE1-NE 3.27Å; E764-R768 IonicContact OE1-NH2 2.72Å; E764-R768 PolarHBondContact OE1-NH2 2.78Å; S765-R768 PolarHBondContact O-N 3.02Å; I766-R768 VanDerWaalsContact C-N 3.34Å; I766-R768 PolarHBondContact O-N 2.78Å; R768-A771 PolarHBondContact O-N 3.1Å; R768-W772 PolarHBondContact O-N 3.03Å; R768-W772 PolarHBondContact O-NE1 2.83Å
769L96.7Very high95.7Very high7 Ų761.8 Ų61.84%0.03731%0.306CS..Hα-helixtrans-71.2-39.1178.2-70.9173.2000112.4M425 I428 C429 I440 S765 I766 A771 W772 F777M425-L769 HydrophobicContact CB-CD1 4.48Å; M425-L769 HydrophobicContact CB-CD2 4.45Å; M425-L769 HydrophobicContact CB-CG 4.49Å; M425-L769 HydrophobicContact CE-CD2 3.53Å; M425-L769 HydrophobicContact CE-CG 3.82Å; M425-L769 HydrophobicContact CG-CG 4.24Å; I428-L769 HydrophobicContact CB-CD1 4.03Å; I428-L769 HydrophobicContact CG2-CD1 3.67Å; C429-L769 VanDerWaalsContact SG-CD2 3.54Å; I440-L769 HydrophobicContact CD1-CD1 4.25Å; S765-L769 WeakPolarHBondContact O-CB 3.37Å; S765-L769 VanDerWaalsContact O-CG 3.28Å; S765-L769 WeakPolarHBondContact O-CG 3.1Å; S765-L769 PolarHBondContact O-N 3.14Å; I766-L769 PolarHBondContact O-N 3.03Å; L769-A771 PolarHBondContact O-N 2.9Å; L769-W772 HydrophobicContact CD2-CD2 4.07Å; L769-W772 HydrophobicContact CD2-CE3 4.1Å; L769-W772 HydrophobicContact CD2-CH2 3.93Å; L769-W772 HydrophobicContact CD2-CZ2 3.9Å; L769-W772 HydrophobicContact CD2-CZ3 4.03Å; L769-W772 WeakPolarHBondContact O-CB 3.39Å; L769-W772 PolarHBondContact O-N 3.49Å; L769-W772 VanDerWaalsContact O-N 3.11Å; L769-F777 HydrophobicContact CB-CE2 4.42Å; L769-F777 HydrophobicContact CD2-CD2 4.31Å; L769-F777 HydrophobicContact CD2-CE2 4.15Å
770Q96.1Very high95.8Very high48 Ų4864.8 Ų64.822%0.22432%0.319CS..Hα-helixtrans-65.2-19.8173.7-75.5179.4-6.700113.6I440 T442 R444 I766I440-Q770 PolarHBondContact O-NE2 3.21Å; T442-Q770 PolarHBondContact OG1-NE2 3.02Å; R444-Q770 VanDerWaalsContact CD-OE1 3.32Å; I766-Q770 HydrophobicContact CG2-CG 4.18Å; I766-Q770 WeakPolarHBondContact O-CB 3.36Å; I766-Q770 WeakPolarHBondContact O-CG 3.17Å; I766-Q770 PolarHBondContact O-N 2.8Å
771A95.9Very high95.8Very high84 Ų8458.6 Ų58.669%0.69429%0.293SS*.THydrogen-bonded Turntrans-93.93174.800000113.6S767 R768 L769S767-A771 WeakPolarHBondContact O-CB 3.46Å; S767-A771 PolarHBondContact O-N 2.76Å; R768-A771 PolarHBondContact O-N 3.1Å; L769-A771 PolarHBondContact O-N 2.9Å
772W95.2Very high95.7Very high73 Ų7362.6 Ų62.628%0.27731%0.311SS..SBendtrans-75.9153.5169.5-74.914000111.1M425 R768 L769 K776 F777 K780M425-W772 HydrophobicContact CE-CH2 4.47Å; M425-W772 HydrophobicContact CE-CZ2 3.5Å; M425-W772 VanDerWaalsContact CE-CZ2 3.5Å; R768-W772 PolarHBondContact O-N 3.03Å; R768-W772 PolarHBondContact O-NE1 2.83Å; L769-W772 HydrophobicContact CD2-CD2 4.07Å; L769-W772 HydrophobicContact CD2-CE3 4.1Å; L769-W772 HydrophobicContact CD2-CH2 3.93Å; L769-W772 HydrophobicContact CD2-CZ2 3.9Å; L769-W772 HydrophobicContact CD2-CZ3 4.03Å; L769-W772 WeakPolarHBondContact O-CB 3.39Å; L769-W772 PolarHBondContact O-N 3.49Å; L769-W772 VanDerWaalsContact O-N 3.11Å; W772-K776 HydrophobicContact CD2-CD 4.22Å; W772-K776 HydrophobicContact CE3-CD 4.23Å; W772-K776 HydrophobicContact CE3-CG 4.15Å; W772-K776 HydrophobicContact CG-CD 4.4Å; W772-F777 HydrophobicContact CE3-CB 4.36Å; W772-F777 HydrophobicContact CE3-CD2 4.09Å; W772-F777 HydrophobicContact CZ3-CD2 4.5Å; W772-K780 HydrophobicContact CZ3-CB 4.14Å; W772-K780 HydrophobicContact CZ3-CG 4.12Å
773D93.4Very high95.7Very high95 Ų9567.3 Ų67.351%0.50833%0.333SS..  trans-59.4146.1162.7171.362.5000111.1I775 K776 F777D773-I775 PolarHBondContact O-N 2.79Å; D773-I775 WeakPolarHBondContact OD2-CA 3.49Å; D773-I775 VanDerWaalsContact OD2-CB 3.25Å; D773-I775 WeakPolarHBondContact OD2-CB 3.12Å; D773-I775 PolarHBondContact OD2-N 2.93Å; D773-K776 HydrophobicContact CB-CB 4.28Å; D773-K776 PolarHBondContact O-N 3.05Å; D773-K776 PolarHBondContact OD2-N 2.99Å; D773-F777 PolarHBondContact O-N 3.23Å; D773-F777 VanDerWaalsContact O-N 3.07Å
774K90.7Very high95.8Very high99 Ų9964.5 Ų64.543%0.4332%0.318SS..Hα-helixtrans-61.6-44.6-177.2179.5-179.5177.4-73.20112F777 E778K774-F777 PolarHBondContact O-N 3.15Å; K774-E778 WeakPolarHBondContact CE-OE1 3.41Å; K774-E778 IonicContact NZ-OE1 3.46Å; K774-E778 PolarHBondContact NZ-OE1 3.17Å; K774-E778 IonicContact NZ-OE2 2.73Å; K774-E778 PolarHBondContact NZ-OE2 3.39Å; K774-E778 WeakPolarHBondContact O-CG 3.45Å; K774-E778 PolarHBondContact O-N 3.02Å
775I92.7Very high95.8Very high105 Ų10561.4 Ų61.454%0.53830%0.303SS..Hα-helixtrans-65.2-47.8-177.3-52.6175.8000108.7D773 F777 E778 E779D773-I775 PolarHBondContact O-N 2.79Å; D773-I775 WeakPolarHBondContact OD2-CA 3.49Å; D773-I775 VanDerWaalsContact OD2-CB 3.25Å; D773-I775 WeakPolarHBondContact OD2-CB 3.12Å; D773-I775 PolarHBondContact OD2-N 2.93Å; I775-F777 VanDerWaalsContact C-N 3.28Å; I775-F777 PolarHBondContact O-N 3.24Å; I775-E778 PolarHBondContact O-N 2.94Å; I775-E778 VanDerWaalsContact O-N 3.16Å; I775-E779 HydrophobicContact CG2-CG 4.22Å; I775-E779 WeakPolarHBondContact O-CB 3.35Å; I775-E779 WeakPolarHBondContact O-CG 3.42Å; I775-E779 PolarHBondContact O-N 2.92Å
776K95.1Very high95.6Very high105 Ų10565 Ų6546%0.45732%0.321SS..Hα-helixtrans-55.5-39.4175.4-178.5-173.7175.5-171.60113.2W772 D773 K780W772-K776 HydrophobicContact CD2-CD 4.22Å; W772-K776 HydrophobicContact CE3-CD 4.23Å; W772-K776 HydrophobicContact CE3-CG 4.15Å; W772-K776 HydrophobicContact CG-CD 4.4Å; D773-K776 HydrophobicContact CB-CB 4.28Å; D773-K776 PolarHBondContact O-N 3.05Å; D773-K776 PolarHBondContact OD2-N 2.99Å; K776-K780 WeakPolarHBondContact O-CB 3.44Å; K776-K780 PolarHBondContact O-N 3.1Å; K776-K780 VanDerWaalsContact O-N 3.17Å
777F95Very high95.5Very high11 Ų1169 Ų695%0.04834%0.34CS..Hα-helixtrans-70.4-44.9177.4-174-103.6000111.8C432 V437 L769 W772 D773 K774 I775 K780 V781C432-F777 HydrophobicContact CB-CZ 3.98Å; V437-F777 WeakPolarHBondContact O-CE1 3.41Å; L769-F777 HydrophobicContact CB-CE2 4.42Å; L769-F777 HydrophobicContact CD2-CD2 4.31Å; L769-F777 HydrophobicContact CD2-CE2 4.15Å; W772-F777 HydrophobicContact CE3-CB 4.36Å; W772-F777 HydrophobicContact CE3-CD2 4.09Å; W772-F777 HydrophobicContact CZ3-CD2 4.5Å; D773-F777 PolarHBondContact O-N 3.23Å; D773-F777 VanDerWaalsContact O-N 3.07Å; K774-F777 PolarHBondContact O-N 3.15Å; I775-F777 VanDerWaalsContact C-N 3.28Å; I775-F777 PolarHBondContact O-N 3.24Å; F777-K780 PolarHBondContact O-N 3.1Å; F777-V781 HydrophobicContact CD1-CG2 4.38Å; F777-V781 HydrophobicContact CE1-CG2 3.99Å; F777-V781 HydrophobicContact CZ-CG2 4.11Å; F777-V781 WeakPolarHBondContact O-CB 3.38Å; F777-V781 PolarHBondContact O-N 3.17Å
778E93.9Very high95.3Very high61 Ų6169 Ų6929%0.28533%0.332SS..Hα-helixtrans-66-39.8178.7-72.1173.2154.300112.5S438 K774 I775 V781 H782S438-E778 WeakPolarHBondContact CB-OE1 3.44Å; K774-E778 WeakPolarHBondContact CE-OE1 3.41Å; K774-E778 IonicContact NZ-OE1 3.46Å; K774-E778 PolarHBondContact NZ-OE1 3.17Å; K774-E778 IonicContact NZ-OE2 2.73Å; K774-E778 PolarHBondContact NZ-OE2 3.39Å; K774-E778 WeakPolarHBondContact O-CG 3.45Å; K774-E778 PolarHBondContact O-N 3.02Å; I775-E778 PolarHBondContact O-N 2.94Å; I775-E778 VanDerWaalsContact O-N 3.16Å; E778-V781 PolarHBondContact O-N 3.22Å; E778-H782 WeakPolarHBondContact O-CB 3.43Å; E778-H782 PolarHBondContact O-N 2.66Å
779E95.4Very high95.1Very high126 Ų12666.7 Ų66.759%0.58932%0.324SS*.Hα-helixtrans-58.7-46170.3-75.4176.8166.200111.7I775 H782 H783I775-E779 HydrophobicContact CG2-CG 4.22Å; I775-E779 WeakPolarHBondContact O-CB 3.35Å; I775-E779 WeakPolarHBondContact O-CG 3.42Å; I775-E779 PolarHBondContact O-N 2.92Å; E779-H782 PolarHBondContact O-N 3.06Å; E779-H783 WeakPolarHBondContact O-CB 3.4Å; E779-H783 PolarHBondContact O-N 2.92Å
780K96.4Very high94.9Very high81 Ų8171.1 Ų71.135%0.35235%0.347SS..Hα-helixtrans-66.2-39.5-179.8-174.857.6174.8179.30111.8W772 K776 F777 I784W772-K780 HydrophobicContact CZ3-CB 4.14Å; W772-K780 HydrophobicContact CZ3-CG 4.12Å; K776-K780 WeakPolarHBondContact O-CB 3.44Å; K776-K780 PolarHBondContact O-N 3.1Å; K776-K780 VanDerWaalsContact O-N 3.17Å; F777-K780 PolarHBondContact O-N 3.1Å; K780-I784 HydrophobicContact CG-CD1 4.43Å; K780-I784 WeakPolarHBondContact O-CD1 3.46Å; K780-I784 WeakPolarHBondContact O-CG1 3.49Å; K780-I784 PolarHBondContact O-N 3.09Å
781V96.5Very high94.5Very high6 Ų672.3 Ų72.34%0.03636%0.355CS..Hα-helixtrans-61.5-51.9172.7154.40000110.7C432 A433 F777 E778 H783 I784 Q785C432-V781 HydrophobicContact CB-CG2 4.16Å; A433-V781 HydrophobicContact CB-CG1 4.45Å; F777-V781 HydrophobicContact CD1-CG2 4.38Å; F777-V781 HydrophobicContact CE1-CG2 3.99Å; F777-V781 HydrophobicContact CZ-CG2 4.11Å; F777-V781 WeakPolarHBondContact O-CB 3.38Å; F777-V781 PolarHBondContact O-N 3.17Å; E778-V781 PolarHBondContact O-N 3.22Å; V781-H783 PolarHBondContact O-N 3.38Å; V781-I784 PolarHBondContact O-N 3.33Å; V781-I784 VanDerWaalsContact O-N 3.14Å; V781-Q785 WeakPolarHBondContact O-CG 3.39Å; V781-Q785 PolarHBondContact O-N 3Å
782H96.2Very high94.2Very high89 Ų8970.9 Ų70.941%0.41233%0.331SS..Hα-helixtrans-62.2-40.6-178.8179.355.6000112.7E778 E779 I784 Q785 M786E778-H782 WeakPolarHBondContact O-CB 3.43Å; E778-H782 PolarHBondContact O-N 2.66Å; E779-H782 PolarHBondContact O-N 3.06Å; H782-I784 VanDerWaalsContact C-N 3.33Å; H782-I784 PolarHBondContact O-N 3.09Å; H782-Q785 WeakPolarHBondContact O-CB 3.23Å; H782-Q785 PolarHBondContact O-N 3.08Å; H782-M786 PolarHBondContact O-N 3.1Å
783H97.4Very high93.8Very high104 Ų10470.3 Ų70.348%0.48133%0.334SS..Hα-helixtrans-60.1-41.5174.7-179.491.2000112.1E779 V781 M786 Q787E779-H783 WeakPolarHBondContact O-CB 3.4Å; E779-H783 PolarHBondContact O-N 2.92Å; V781-H783 PolarHBondContact O-N 3.38Å; H783-M786 PolarHBondContact O-N 3.45Å; H783-Q787 WeakPolarHBondContact O-CG 3.41Å; H783-Q787 PolarHBondContact O-N 3.25Å; H783-Q787 VanDerWaalsContact O-N 3.12Å
784I97.4Very high93.3Very high12 Ų1270.4 Ų70.46%0.06234%0.342CS..Hα-helixtrans-65.7-43.6175.6-65.7165.4000110.5C429 K430 A433 K780 V781 H782 M786 Q787 E788C429-I784 HydrophobicContact CB-CD1 3.84Å; K430-I784 HydrophobicContact CG-CG2 4.05Å; A433-I784 HydrophobicContact CB-CB 3.73Å; A433-I784 HydrophobicContact CB-CG2 3.52Å; K780-I784 HydrophobicContact CG-CD1 4.43Å; K780-I784 WeakPolarHBondContact O-CD1 3.46Å; K780-I784 WeakPolarHBondContact O-CG1 3.49Å; K780-I784 PolarHBondContact O-N 3.09Å; V781-I784 PolarHBondContact O-N 3.33Å; V781-I784 VanDerWaalsContact O-N 3.14Å; H782-I784 VanDerWaalsContact C-N 3.33Å; H782-I784 PolarHBondContact O-N 3.09Å; I784-M786 VanDerWaalsContact C-N 3.31Å; I784-M786 PolarHBondContact O-N 2.73Å; I784-Q787 PolarHBondContact O-N 3.19Å; I784-Q787 VanDerWaalsContact O-N 3.16Å; I784-E788 HydrophobicContact CG2-CG 4.01Å; I784-E788 WeakPolarHBondContact O-CG 3.45Å; I784-E788 PolarHBondContact O-N 2.91Å
785Q97.3Very high92.4Very high5 Ų571.9 Ų71.92%0.02335%0.35CS..Hα-helixtrans-55.3-45.2176.6-69.5172.7-14.400112L392 L396 A433 D436 V781 H782 K789L392-Q785 HydrophobicContact CD1-CG 4.44Å; L392-Q785 HydrophobicContact CD2-CB 4.49Å; L392-Q785 HydrophobicContact CD2-CG 3.9Å; L396-Q785 HydrophobicContact CD1-CB 4.16Å; A433-Q785 HydrophobicContact CB-CG 4.03Å; A433-Q785 WeakPolarHBondContact O-CG 3.46Å; A433-Q785 PolarHBondContact O-NE2 2.69Å; D436-Q785 PolarHBondContact OD1-NE2 2.83Å; V781-Q785 WeakPolarHBondContact O-CG 3.39Å; V781-Q785 PolarHBondContact O-N 3Å; H782-Q785 WeakPolarHBondContact O-CB 3.23Å; H782-Q785 PolarHBondContact O-N 3.08Å; Q785-K789 WeakPolarHBondContact O-CB 3.37Å; Q785-K789 PolarHBondContact O-N 3.45Å
786M95.2Very high90.8Very high76 Ų7674.4 Ų74.437%0.37436%0.359SS..Hα-helixtrans-63.9-42.3176.6-72-63.1-67.400112.8L396 H782 H783 I784 L790L396-M786 HydrophobicContact CB-SD 4.46Å; L396-M786 HydrophobicContact CD1-SD 3.98Å; L396-M786 HydrophobicContact CD2-SD 3.82Å; L396-M786 HydrophobicContact CG-SD 4.3Å; H782-M786 PolarHBondContact O-N 3.1Å; H783-M786 PolarHBondContact O-N 3.45Å; I784-M786 VanDerWaalsContact C-N 3.31Å; I784-M786 PolarHBondContact O-N 2.73Å; M786-L790 VanDerWaalsContact O-CG 3.29Å; M786-L790 WeakPolarHBondContact O-CG 3.44Å; M786-L790 PolarHBondContact O-N 2.94Å
787Q94.6Very high88.9Confident90 Ų9078 Ų7842%0.42138%0.375SS..Hα-helixtrans-66.6-47.1179.1-69.3-63.8-56.600112.3H783 I784 K789 L790 I791H783-Q787 WeakPolarHBondContact O-CG 3.41Å; H783-Q787 PolarHBondContact O-N 3.25Å; H783-Q787 VanDerWaalsContact O-N 3.12Å; I784-Q787 PolarHBondContact O-N 3.19Å; I784-Q787 VanDerWaalsContact O-N 3.16Å; Q787-K789 VanDerWaalsContact C-N 3.33Å; Q787-K789 PolarHBondContact O-N 3.35Å; Q787-L790 PolarHBondContact O-N 3.41Å; Q787-I791 VanDerWaalsContact O-CG1 3.28Å; Q787-I791 WeakPolarHBondContact O-CG1 3.38Å; Q787-I791 PolarHBondContact O-N 2.7Å
788E93.3Very high87Confident73 Ų7383 Ų8334%0.34141%0.408SS..Hα-helixtrans-65.1-36.5179-59.9-69168.100111.5K430 I784 I791 R792K430-E788 IonicContact NZ-OE1 3.2Å; K430-E788 PolarHBondContact NZ-OE1 2.92Å; I784-E788 HydrophobicContact CG2-CG 4.01Å; I784-E788 WeakPolarHBondContact O-CG 3.45Å; I784-E788 PolarHBondContact O-N 2.91Å; E788-I791 PolarHBondContact O-N 3.23Å; E788-R792 WeakPolarHBondContact O-CB 3.41Å; E788-R792 PolarHBondContact O-N 3.02Å
789K92.6Very high85.3Confident50 Ų5089 Ų8922%0.21744%0.436CS..Hα-helixtrans-60.9-50.4171.8174.5162.5171.758.70111.7D393 L396 Q785 Q787 I791 R792 D793D393-K789 IonicContact OD1-NZ 3.19Å; D393-K789 PolarHBondContact OD1-NZ 3.38Å; L396-K789 HydrophobicContact CB-CD 3.98Å; L396-K789 HydrophobicContact CD1-CB 4.11Å; L396-K789 HydrophobicContact CD1-CD 3.64Å; L396-K789 HydrophobicContact CD1-CG 4.49Å; L396-K789 HydrophobicContact CG-CD 4.47Å; Q785-K789 WeakPolarHBondContact O-CB 3.37Å; Q785-K789 PolarHBondContact O-N 3.45Å; Q787-K789 VanDerWaalsContact C-N 3.33Å; Q787-K789 PolarHBondContact O-N 3.35Å; K789-I791 VanDerWaalsContact C-N 3.29Å; K789-I791 PolarHBondContact O-N 2.88Å; K789-R792 PolarHBondContact O-N 2.93Å; K789-D793 VanDerWaalsContact CG-OD2 3.31Å; K789-D793 WeakPolarHBondContact CG-OD2 3.25Å; K789-D793 IonicContact NZ-OD1 2.78Å; K789-D793 IonicContact NZ-OD2 3.92Å; K789-D793 PolarHBondContact NZ-OD2 2.91Å; K789-D793 WeakPolarHBondContact O-CB 3.07Å; K789-D793 PolarHBondContact O-N 3.3Å
790L91.6Very high83.7Confident100 Ų10086.8 Ų86.852%0.52443%0.433SS..Hα-helixtrans-58.7-40.1177.8-73.3168.4000112.4M786 Q787 S794M786-L790 VanDerWaalsContact O-CG 3.29Å; M786-L790 WeakPolarHBondContact O-CG 3.44Å; M786-L790 PolarHBondContact O-N 2.94Å; Q787-L790 PolarHBondContact O-N 3.41Å; L790-S794 WeakPolarHBondContact O-CB 3.36Å; L790-S794 PolarHBondContact O-N 2.82Å; L790-S794 PolarHBondContact O-OG 2.63Å
791I89Confident82.6Confident73 Ų7389 Ų8937%0.37445%0.453SS..Hα-helixtrans-63.6-50.1176.3-69.5165.4000110.7Q787 E788 K789 S794 Q795Q787-I791 VanDerWaalsContact O-CG1 3.28Å; Q787-I791 WeakPolarHBondContact O-CG1 3.38Å; Q787-I791 PolarHBondContact O-N 2.7Å; E788-I791 PolarHBondContact O-N 3.23Å; K789-I791 VanDerWaalsContact C-N 3.29Å; K789-I791 PolarHBondContact O-N 2.88Å; I791-S794 PolarHBondContact O-OG 3.49Å; I791-S794 VanDerWaalsContact O-OG 3.11Å; I791-Q795 VanDerWaalsContact CG2-NE2 3.34Å; I791-Q795 VanDerWaalsContact O-CB 3.27Å; I791-Q795 WeakPolarHBondContact O-CB 3.38Å; I791-Q795 WeakPolarHBondContact O-CG 3.37Å; I791-Q795 PolarHBondContact O-N 3.34Å
792R89.2Confident81.8Confident54 Ų5491.6 Ų91.620%0.20447%0.47CS..Hα-helixtrans-66.7-38.1-178.2-177.4-156.462.2-167.7-5.7112.5D393 E788 K789 Q795D393-R792 IonicContact OD1-CZ 2.81Å; D393-R792 IonicContact OD1-NH1 2.9Å; D393-R792 IonicContact OD1-NH2 3.73Å; D393-R792 PolarHBondContact OD1-NH2 3.37Å; D393-R792 IonicContact OD2-CZ 2.62Å; D393-R792 IonicContact OD2-NH1 2.68Å; D393-R792 PolarHBondContact OD2-NH1 3.49Å; D393-R792 IonicContact OD2-NH2 2.68Å; D393-R792 PolarHBondContact OD2-NH2 3.34Å; E788-R792 WeakPolarHBondContact O-CB 3.41Å; E788-R792 PolarHBondContact O-N 3.02Å; K789-R792 PolarHBondContact O-N 2.93Å; R792-Q795 PolarHBondContact O-N 3.07Å
793D86.9Confident81.1Confident61 Ų6190.1 Ų90.133%0.32647%0.465SS..Hα-helixtrans-73.7-38.6-178.4-65-0.3000111.2K789 Q795 H796K789-D793 VanDerWaalsContact CG-OD2 3.31Å; K789-D793 WeakPolarHBondContact CG-OD2 3.25Å; K789-D793 IonicContact NZ-OD1 2.78Å; K789-D793 IonicContact NZ-OD2 3.92Å; K789-D793 PolarHBondContact NZ-OD2 2.91Å; K789-D793 WeakPolarHBondContact O-CB 3.07Å; K789-D793 PolarHBondContact O-N 3.3Å; D793-Q795 VanDerWaalsContact C-N 3.31Å; D793-Q795 PolarHBondContact O-N 2.86Å; D793-H796 PolarHBondContact O-N 3Å
794S83.3Confident80.5Confident97 Ų9791.8 Ų91.868%0.67847%0.471SS*.Hα-helixtrans-72-21.8170.859.90000113.7L790 I791 H796L790-S794 WeakPolarHBondContact O-CB 3.36Å; L790-S794 PolarHBondContact O-N 2.82Å; L790-S794 PolarHBondContact O-OG 2.63Å; I791-S794 PolarHBondContact O-OG 3.49Å; I791-S794 VanDerWaalsContact O-OG 3.11Å; S794-H796 PolarHBondContact O-N 2.77Å
795Q71.1Confident80.1Confident130 Ų13097.1 Ų97.161%0.60750%0.496SS*.THydrogen-bonded Turntrans-81.215171.7-75.9-176.92400114.4I791 R792 D793 K797I791-Q795 VanDerWaalsContact CG2-NE2 3.34Å; I791-Q795 VanDerWaalsContact O-CB 3.27Å; I791-Q795 WeakPolarHBondContact O-CB 3.38Å; I791-Q795 WeakPolarHBondContact O-CG 3.37Å; I791-Q795 PolarHBondContact O-N 3.34Å; R792-Q795 PolarHBondContact O-N 3.07Å; D793-Q795 VanDerWaalsContact C-N 3.31Å; D793-Q795 PolarHBondContact O-N 2.86Å; Q795-K797 PolarHBondContact O-N 2.72Å
796H59.2Low79.8Confident158 Ų15899.5 Ų99.573%0.73151%0.509SS*.  trans-62.386160.6-95.853.7000110.3D793 S794D793-H796 PolarHBondContact O-N 3Å; S794-H796 PolarHBondContact O-N 2.77Å
797K54.5Low79.8Confident182 Ų18296.6 Ų96.679%0.79149%0.494SS*.PPolyproline II helixtrans-55126.1173.2-67.5178.8-179.3177.10107.9Q795 Q799Q795-K797 PolarHBondContact O-N 2.72Å; K797-Q799 PolarHBondContact O-N 3.37Å
798P56.7Low79.8Confident115 Ų11595 Ų9575%0.74749%0.485SS*.PPolyproline II helixtrans-55.4138.6171.525-33.5000108.1P800P798-P800 WeakPolarHBondContact O-CD 3.49Å
799Q57.4Low79.9Confident187 Ų18791.5 Ų91.587%0.87447%0.469SS*.PPolyproline II helixtrans-54.7117.8-179.4-71-172.3-2.700108.2K797 V801K797-Q799 PolarHBondContact O-N 3.37Å; Q799-V801 PolarHBondContact O-N 3.36Å
800P61.4Low80Confident79 Ų7989.6 Ų89.651%0.51346%0.461SS..PPolyproline II helixtrans-65.1124.8-17525.7-32.9000107.9P798 P802P798-P800 WeakPolarHBondContact O-CD 3.49Å; P800-P802 VanDerWaalsContact O-N 3.15Å
801V74.1Confident80.1Confident127 Ų12784.8 Ų84.877%0.7744%0.436SS*.PPolyproline II helixtrans-50.5122.9-178-178.40000108.8Q799Q799-V801 PolarHBondContact O-N 3.36Å
802P79.5Confident79.9Confident61 Ų6181.5 Ų81.540%0.39642%0.42SS..PPolyproline II helixtrans-67.9135.5179.427.7-33.5000109.3P800 K804 F914P800-P802 VanDerWaalsContact O-N 3.15Å; P802-K804 PolarHBondContact O-N 2.93Å; P802-F914 WeakPolarHBondContact CB-O 3.42Å
803D82.6Confident79.6Confident58 Ų5880 Ų8031%0.3142%0.415SS..PPolyproline II helixtrans-70120.5169.6-173.9-20.6000108.7E805 K807 F914 E915D803-E805 WeakPolarHBondContact OD1-CB 3.5Å; D803-E805 PolarHBondContact OD1-N 3.35Å; D803-K807 IonicContact OD1-NZ 3.87Å; D803-K807 PolarHBondContact OD1-NZ 3.17Å; D803-K807 VanDerWaalsContact OD1-NZ 3.15Å; D803-K807 WeakPolarHBondContact OD2-CE 3.37Å; D803-K807 IonicContact OD2-NZ 2.63Å; D803-K807 PolarHBondContact OD2-NZ 3.25Å; D803-F914 CarbonylContact O-C 3.57Å; D803-F914 VanDerWaalsContact O-C 3.31Å; D803-F914 WeakPolarHBondContact O-CA 3.34Å; D803-E915 PolarHBondContact O-N 3.49Å
804K83.1Confident79.5Confident140 Ų14077.2 Ų77.261%0.60940%0.4SS*.  trans-90.5-9.1-178.2-68.8-179.2152.6-75.30113P802 N806 E915P802-K804 PolarHBondContact O-N 2.93Å; K804-N806 PolarHBondContact O-N 2.89Å; K804-E915 IonicContact NZ-OE1 2.83Å; K804-E915 PolarHBondContact NZ-OE1 2.78Å; K804-E915 IonicContact NZ-OE2 2.87Å; K804-E915 PolarHBondContact NZ-OE2 2.84Å
805E89.1Confident79.7Confident123 Ų12373.3 Ų73.358%0.57537%0.371SS*.SBendtrans-78.6122.6-178.5-64.7-177.7-171.700109.8D803 K807D803-E805 WeakPolarHBondContact OD1-CB 3.5Å; D803-E805 PolarHBondContact OD1-N 3.35Å; E805-K807 WeakPolarHBondContact O-CD 3.39Å; E805-K807 PolarHBondContact O-NZ 3.29Å
806N92.1Very high80.6Confident56 Ų5668.6 Ų68.630%0.29935%0.354SS..  trans-62.7137.1-177.9-167.224.2000110.9K804 T821 A822 I898K804-N806 PolarHBondContact O-N 2.89Å; N806-T821 PolarHBondContact OD1-N 3.29Å; N806-T821 PolarHBondContact OD1-OG1 3.1Å; N806-A822 WeakPolarHBondContact OD1-CB 3.49Å; N806-A822 PolarHBondContact OD1-N 2.73Å; N806-I898 HydrophobicContact CB-CD1 4.22Å; N806-I898 WeakPolarHBondContact O-CD1 3.44Å; N806-I898 VanDerWaalsContact O-CG1 3.27Å; N806-I898 WeakPolarHBondContact O-CG1 3.49Å
807K94.3Very high82.3Confident14 Ų1464.2 Ų64.26%0.06133%0.333CS..EExtended strand (participates in β ladder)trans-126.4154.8-177.5-73141.7176.762.10110.1D803 E805 Y820 T821 V895 E896 D897 F912D803-K807 IonicContact OD1-NZ 3.87Å; D803-K807 PolarHBondContact OD1-NZ 3.17Å; D803-K807 VanDerWaalsContact OD1-NZ 3.15Å; D803-K807 WeakPolarHBondContact OD2-CE 3.37Å; D803-K807 IonicContact OD2-NZ 2.63Å; D803-K807 PolarHBondContact OD2-NZ 3.25Å; E805-K807 WeakPolarHBondContact O-CD 3.39Å; E805-K807 PolarHBondContact O-NZ 3.29Å; K807-Y820 CarbonylContact O-C 3.57Å; K807-Y820 WeakPolarHBondContact O-CA 3.5Å; K807-T821 HydrophobicContact CB-CG2 4.05Å; K807-T821 PolarHBondContact N-OG1 3.4Å; K807-T821 PolarHBondContact O-N 2.8Å; K807-T821 PolarHBondContact O-OG1 2.92Å; K807-V895 HydrophobicContact CB-CG1 3.73Å; K807-V895 HydrophobicContact CD-CG1 4.07Å; K807-V895 HydrophobicContact CG-CG1 4.12Å; K807-E896 WeakPolarHBondContact CA-O 3.48Å; K807-D897 IonicContact NZ-OD2 2.77Å; K807-D897 PolarHBondContact NZ-OD2 2.91Å; K807-F912 HydrophobicContact CD-CE2 4.34Å; K807-F912 HydrophobicContact CD-CZ 4.29Å
808K94.9Very high84.2Confident56 Ų5655.6 Ų55.624%0.24330%0.296CS..EExtended strand (participates in β ladder)trans-87.6145.8173-52.1172.9-158.8161.30109.8L810 F817 Y820 V895 E896 I898K808-L810 HydrophobicContact CB-CD2 4.09Å; K808-L810 HydrophobicContact CD-CD2 4.39Å; K808-F817 HydrophobicContact CB-CD2 4.07Å; K808-F817 HydrophobicContact CB-CE2 3.84Å; K808-F817 HydrophobicContact CD-CD2 4.45Å; K808-F817 HydrophobicContact CD-CE2 4.48Å; K808-F817 HydrophobicContact CG-CD2 4.38Å; K808-F817 HydrophobicContact CG-CE2 4Å; K808-Y820 HydrophobicContact CG-CD1 4.06Å; K808-Y820 HydrophobicContact CG-CE1 3.76Å; K808-V895 CarbonylContact O-C 3.54Å; K808-V895 WeakPolarHBondContact O-CA 3.4Å; K808-E896 HydrophobicContact CB-CB 4.25Å; K808-E896 WeakPolarHBondContact CD-OE2 3.46Å; K808-E896 WeakPolarHBondContact CE-OE2 3.43Å; K808-E896 PolarHBondContact N-O 3Å; K808-E896 IonicContact NZ-OE2 3.2Å; K808-E896 PolarHBondContact NZ-OE2 2.94Å; K808-E896 PolarHBondContact O-N 3.41Å; K808-I898 HydrophobicContact CG-CG1 4.12Å
809L96.3Very high86Confident0 Ų050.1 Ų50.10%026%0.261CS..EExtended strand (participates in β ladder)trans-100.1124.6160.5-78.271.7000108A818 C819 T821 I888 I890 F893 V894 W909L809-A818 HydrophobicContact CB-CB 4.44Å; L809-A818 WeakPolarHBondContact O-CA 3.46Å; L809-A818 VanDerWaalsContact O-CB 3.3Å; L809-A818 WeakPolarHBondContact O-CB 3.29Å; L809-A818 PolarHBondContact O-N 2.75Å; L809-C819 PolarHBondContact N-O 3.2Å; L809-C819 PolarHBondContact O-N 3.22Å; L809-T821 HydrophobicContact CD1-CG2 3.69Å; L809-I888 HydrophobicContact CD2-CD1 3.9Å; L809-I890 HydrophobicContact CD2-CD1 4.08Å; L809-I890 HydrophobicContact CG-CD1 4.43Å; L809-F893 HydrophobicContact CB-CB 4.32Å; L809-F893 HydrophobicContact CB-CD1 4.13Å; L809-F893 HydrophobicContact CB-CG 4.37Å; L809-F893 HydrophobicContact CD2-CB 4.35Å; L809-F893 HydrophobicContact CD2-CG 4.23Å; L809-F893 HydrophobicContact CG-CB 4.42Å; L809-V894 WeakPolarHBondContact CA-O 3.38Å; L809-W909 HydrophobicContact CD2-CH2 4.02Å
810L94.5Very high87.8Confident10 Ų1045.3 Ų45.35%0.05224%0.235CC..EExtended strand (participates in β ladder)trans-112.2148.6176.9-51.7-176000110.4K808 G812 K815 F817 F893 V894 E896K808-L810 HydrophobicContact CB-CD2 4.09Å; K808-L810 HydrophobicContact CD-CD2 4.39Å; L810-G812 PolarHBondContact O-N 2.79Å; L810-K815 WeakPolarHBondContact CB-O 3.22Å; L810-F817 HydrophobicContact CD2-CB 4.22Å; L810-F817 HydrophobicContact CD2-CD2 4.03Å; L810-F893 CarbonylContact O-C 3.57Å; L810-F893 WeakPolarHBondContact O-CA 3.32Å; L810-V894 HydrophobicContact CB-CB 4.28Å; L810-V894 PolarHBondContact N-O 3.09Å; L810-V894 PolarHBondContact O-N 3.28Å; L810-E896 HydrophobicContact CD1-CB 3.92Å; L810-E896 HydrophobicContact CG-CB 4.2Å
811C93.1Very high89.4Confident0 Ų041.9 Ų41.90%021%0.213CC..EExtended strand (participates in β ladder)trans-61126.9177.5-176.90000112.9K813 C814 K815 A816 W874C811-K813 VanDerWaalsContact C-N 3.3Å; C811-K813 PolarHBondContact O-N 2.98Å; C811-C814 PolarHBondContact O-N 3.49Å; C811-K815 WeakPolarHBondContact O-CA 3.4Å; C811-K815 PolarHBondContact O-N 3.36Å; C811-A816 HydrophobicContact CB-CB 4.34Å; C811-A816 WeakPolarHBondContact CB-O 3.44Å; C811-A816 PolarHBondContact N-O 2.97Å; C811-W874 HydrophobicContact CB-CZ2 3.92Å; C811-W874 PolarHBondContact SG-NE1 3.47Å
812G85.2Confident90.2Very high4 Ų437.9 Ų37.94%0.04119%0.193CC..THydrogen-bonded Turntrans-57.3-32.6-179.100000116L810 S892L810-G812 PolarHBondContact O-N 2.79Å; G812-S892 WeakPolarHBondContact CA-O 3.47Å; G812-S892 PolarHBondContact N-O 3.11Å
813K82.5Confident90.8Very high22 Ų2237.5 Ų37.510%0.09619%0.187CC..THydrogen-bonded Turntrans-88.3-30.7179.9177.8176171.9-174.30114.3R537 F540 C811 C870 H872R537-K813 WeakPolarHBondContact CA-O 3.4Å; R537-K813 PolarHBondContact N-O 3.08Å; F540-K813 HydrophobicContact CB-CG 4.36Å; F540-K813 HydrophobicContact CD1-CD 3.79Å; F540-K813 HydrophobicContact CD1-CG 3.91Å; F540-K813 HydrophobicContact CE1-CD 3.98Å; F540-K813 HydrophobicContact CE1-CG 4.4Å; F540-K813 HydrophobicContact CG-CD 4.42Å; F540-K813 HydrophobicContact CG-CG 4.04Å; C811-K813 VanDerWaalsContact C-N 3.3Å; C811-K813 PolarHBondContact O-N 2.98Å; K813-C870 WeakPolarHBondContact CD-O 3.35Å; K813-C870 PolarHBondContact NZ-O 2.97Å; K813-H872 HydrophobicContact CB-CB 3.78Å; K813-H872 HydrophobicContact CD-CB 4.34Å
814C84.6Confident91.4Very high2 Ų234.8 Ų34.81%0.01417%0.173CC..THydrogen-bonded Turntrans-138.79.4-168.671.10000115.5S533 C811 A816 C870S533-C814 WeakPolarHBondContact CB-O 3.25Å; S533-C814 PolarHBondContact OG-O 3.39Å; C811-C814 PolarHBondContact O-N 3.49Å; C814-A816 PolarHBondContact O-N 3.46Å; C814-C870 HydrophobicContact CB-CB 4.24Å; C814-C870 PolarHBondContact SG-SG 3.47Å
815K86.9Confident91.8Very high16 Ų1629.4 Ų29.47%0.0715%0.149CC..  trans56.8-0.5179-50.2-56-163780117M522 F524 E532 C536 L810 C811 F817 V894M522-K815 WeakPolarHBondContact O-CE 3.46Å; M522-K815 PolarHBondContact O-NZ 2.96Å; F524-K815 PolarHBondContact O-NZ 3.49Å; E532-K815 HydrophobicContact CG-CG 4.27Å; E532-K815 WeakPolarHBondContact OE1-CG 3.1Å; E532-K815 IonicContact OE1-NZ 2.74Å; E532-K815 PolarHBondContact OE1-NZ 3.12Å; C536-K815 HydrophobicContact CB-CG 4.45Å; C536-K815 VanDerWaalsContact SG-CE 3.57Å; L810-K815 WeakPolarHBondContact CB-O 3.22Å; C811-K815 WeakPolarHBondContact O-CA 3.4Å; C811-K815 PolarHBondContact O-N 3.36Å; K815-F817 PolarHBondContact O-N 3.46Å; K815-V894 HydrophobicContact CD-CG2 4.36Å
816A90.4Very high91.9Very high30 Ų3023.8 Ų23.825%0.24812%0.123CC..  trans-53.2134174.500000111.1C811 C814 A818 I867C811-A816 HydrophobicContact CB-CB 4.34Å; C811-A816 WeakPolarHBondContact CB-O 3.44Å; C811-A816 PolarHBondContact N-O 2.97Å; C814-A816 PolarHBondContact O-N 3.46Å; A816-A818 PolarHBondContact O-N 2.97Å; A816-I867 HydrophobicContact CB-CG1 4Å
817F94.4Very high91.6Very high67 Ų6721.1 Ų21.129%0.29411%0.109SC..EExtended strand (participates in β ladder)trans-66.1125.8-175.5175.8-132.7000111.4K808 L810 K815 C819 Y820K808-F817 HydrophobicContact CB-CD2 4.07Å; K808-F817 HydrophobicContact CB-CE2 3.84Å; K808-F817 HydrophobicContact CD-CD2 4.45Å; K808-F817 HydrophobicContact CD-CE2 4.48Å; K808-F817 HydrophobicContact CG-CD2 4.38Å; K808-F817 HydrophobicContact CG-CE2 4Å; L810-F817 HydrophobicContact CD2-CB 4.22Å; L810-F817 HydrophobicContact CD2-CD2 4.03Å; K815-F817 PolarHBondContact O-N 3.46Å; F817-C819 VanDerWaalsContact CE2-C 3.47Å; F817-C819 VanDerWaalsContact CE2-O 3.24Å; F817-C819 WeakPolarHBondContact CE2-O 3.21Å; F817-Y820 HydrophobicContact CE1-CE2 4.03Å; F817-Y820 HydrophobicContact CE2-CD1 4.31Å; F817-Y820 HydrophobicContact CE2-CE1 4.25Å; F817-Y820 HydrophobicContact CE2-CE2 4.5Å; F817-Y820 HydrophobicContact CE2-CG 4.47Å; F817-Y820 HydrophobicContact CZ-CD1 4.14Å; F817-Y820 AromaticContact CZ-CD2 3.72Å; F817-Y820 HydrophobicContact CZ-CD2 3.72Å; F817-Y820 AromaticContact CZ-CE1 3.92Å; F817-Y820 HydrophobicContact CZ-CE1 3.92Å; F817-Y820 AromaticContact CZ-CE2 3.47Å; F817-Y820 HydrophobicContact CZ-CE2 3.47Å; F817-Y820 VanDerWaalsContact CZ-CE2 3.47Å; F817-Y820 HydrophobicContact CZ-CG 4.04Å; F817-Y820 AromaticContact CZ-CZ 3.57Å
818A94.9Very high90.7Very high0 Ų023.8 Ų23.80%012%0.121CC..EExtended strand (participates in β ladder)trans-97.9-67.5-178.400000111.2L809 A816 F839 R842 W874 F893L809-A818 HydrophobicContact CB-CB 4.44Å; L809-A818 WeakPolarHBondContact O-CA 3.46Å; L809-A818 VanDerWaalsContact O-CB 3.3Å; L809-A818 WeakPolarHBondContact O-CB 3.29Å; L809-A818 PolarHBondContact O-N 2.75Å; A816-A818 PolarHBondContact O-N 2.97Å; A818-F839 HydrophobicContact CB-CE2 4.23Å; A818-F839 WeakPolarHBondContact O-CD2 3.5Å; A818-R842 WeakPolarHBondContact O-CD 3.27Å; A818-R842 PolarHBondContact O-NH1 3.49Å; A818-W874 HydrophobicContact CB-CH2 3.68Å; A818-W874 HydrophobicContact CB-CZ2 4.07Å; A818-W874 HydrophobicContact CB-CZ3 4.06Å; A818-F893 HydrophobicContact CB-CD1 3.9Å; A818-F893 HydrophobicContact CB-CE1 3.52Å
819C95.3Very high89.5Confident1 Ų128.5 Ų28.51%0.00714%0.142CC..EExtended strand (participates in β ladder)trans-157.5172.9179.261.90000111.3L809 F817 D823 V834 F839L809-C819 PolarHBondContact N-O 3.2Å; L809-C819 PolarHBondContact O-N 3.22Å; F817-C819 VanDerWaalsContact CE2-C 3.47Å; F817-C819 VanDerWaalsContact CE2-O 3.24Å; F817-C819 WeakPolarHBondContact CE2-O 3.21Å; C819-D823 HydrophobicContact CB-CB 4.34Å; C819-V834 HydrophobicContact CB-CG1 3.55Å; C819-V834 HydrophobicContact CB-CG2 4.42Å; C819-F839 HydrophobicContact CB-CD2 3.98Å; C819-F839 HydrophobicContact CB-CE2 4.29Å
820Y95.1Very high88.7Confident85 Ų8531.6 Ų31.633%0.33316%0.163SC..EExtended strand (participates in β ladder)trans-90.6157.8166.1-65.8-73.2000111.8K807 K808 F817 A822 D823 I898K807-Y820 CarbonylContact O-C 3.57Å; K807-Y820 WeakPolarHBondContact O-CA 3.5Å; K808-Y820 HydrophobicContact CG-CD1 4.06Å; K808-Y820 HydrophobicContact CG-CE1 3.76Å; F817-Y820 HydrophobicContact CE1-CE2 4.03Å; F817-Y820 HydrophobicContact CE2-CD1 4.31Å; F817-Y820 HydrophobicContact CE2-CE1 4.25Å; F817-Y820 HydrophobicContact CE2-CE2 4.5Å; F817-Y820 HydrophobicContact CE2-CG 4.47Å; F817-Y820 HydrophobicContact CZ-CD1 4.14Å; F817-Y820 AromaticContact CZ-CD2 3.72Å; F817-Y820 HydrophobicContact CZ-CD2 3.72Å; F817-Y820 AromaticContact CZ-CE1 3.92Å; F817-Y820 HydrophobicContact CZ-CE1 3.92Å; F817-Y820 AromaticContact CZ-CE2 3.47Å; F817-Y820 HydrophobicContact CZ-CE2 3.47Å; F817-Y820 VanDerWaalsContact CZ-CE2 3.47Å; F817-Y820 HydrophobicContact CZ-CG 4.04Å; F817-Y820 AromaticContact CZ-CZ 3.57Å; Y820-A822 PolarHBondContact O-N 3.28Å; Y820-D823 WeakPolarHBondContact CB-OD2 3.48Å; Y820-D823 PolarHBondContact N-OD2 3.09Å; Y820-D823 WeakPolarHBondContact O-CB 3.46Å; Y820-D823 PolarHBondContact O-N 3.1Å; Y820-I898 HydrophobicContact CD1-CD1 3.85Å; Y820-I898 HydrophobicContact CE1-CD1 3.72Å
821T93.7Very high88.3Confident8 Ų832.5 Ų32.55%0.04917%0.167CC..G310 helixtrans-62.2-28.1171.344.20000113.4N806 K807 L809 D823 V824 F912 F914N806-T821 PolarHBondContact OD1-N 3.29Å; N806-T821 PolarHBondContact OD1-OG1 3.1Å; K807-T821 HydrophobicContact CB-CG2 4.05Å; K807-T821 PolarHBondContact N-OG1 3.4Å; K807-T821 PolarHBondContact O-N 2.8Å; K807-T821 PolarHBondContact O-OG1 2.92Å; L809-T821 HydrophobicContact CD1-CG2 3.69Å; T821-D823 PolarHBondContact O-N 2.78Å; T821-V824 WeakPolarHBondContact O-CB 3.47Å; T821-V824 PolarHBondContact O-N 3.33Å; T821-F912 HydrophobicContact CG2-CE1 3.78Å; T821-F912 HydrophobicContact CG2-CZ 3.75Å; T821-F914 HydrophobicContact CG2-CD2 4.13Å; T821-F914 HydrophobicContact CG2-CG 4.42Å
822A91.5Very high88.2Confident42 Ų4232.8 Ų32.835%0.34717%0.168SC..G310 helixtrans-66.3-20.6173.600000113.3N806 Y820 V824 R825N806-A822 WeakPolarHBondContact OD1-CB 3.49Å; N806-A822 PolarHBondContact OD1-N 2.73Å; Y820-A822 PolarHBondContact O-N 3.28Å; A822-V824 VanDerWaalsContact C-N 3.35Å; A822-R825 PolarHBondContact O-NH1 3.2Å
823D92.8Very high88.6Confident53 Ų5332.6 Ų32.628%0.28317%0.166SC..G310 helixtrans-85.7-13.6176.9-44.1-26.4000111.4C819 Y820 T821 V834 L835C819-D823 HydrophobicContact CB-CB 4.34Å; Y820-D823 WeakPolarHBondContact CB-OD2 3.48Å; Y820-D823 PolarHBondContact N-OD2 3.09Å; Y820-D823 WeakPolarHBondContact O-CB 3.46Å; Y820-D823 PolarHBondContact O-N 3.1Å; T821-D823 PolarHBondContact O-N 2.78Å; D823-V834 HydrophobicContact CB-CG1 3.89Å; D823-V834 WeakPolarHBondContact O-CA 3.45Å; D823-L835 PolarHBondContact O-N 3.49Å
824V94.1Very high89.2Confident1 Ų131.8 Ų31.81%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-80.2137.6-177.6-179.60000110.3T821 A822 Y832 T833 V834 W909 F914T821-V824 WeakPolarHBondContact O-CB 3.47Å; T821-V824 PolarHBondContact O-N 3.33Å; A822-V824 VanDerWaalsContact C-N 3.35Å; V824-Y832 HydrophobicContact CG1-CD1 3.93Å; V824-T833 CarbonylContact C-O 3.58Å; V824-T833 VanDerWaalsContact CA-O 3.28Å; V824-T833 WeakPolarHBondContact CA-O 3.45Å; V824-V834 HydrophobicContact CG2-CG2 4.42Å; V824-W909 HydrophobicContact CG1-CH2 4.3Å; V824-F914 HydrophobicContact CB-CE2 4.32Å; V824-F914 HydrophobicContact CG1-CE2 4.21Å; V824-F914 HydrophobicContact CG1-CZ 4.13Å
825R93.3Very high89.2Confident28 Ų2832.9 Ų32.911%0.10617%0.169CC..EExtended strand (participates in β ladder)trans-124.6140.2170.8-61.3-70.6173.6-79.7-6110.6A822 Y832 T833 L835 I917 Q918 F919 E923A822-R825 PolarHBondContact O-NH1 3.2Å; R825-Y832 WeakPolarHBondContact O-CA 3.13Å; R825-T833 HydrophobicContact CB-CG2 3.83Å; R825-T833 PolarHBondContact N-O 3.45Å; R825-T833 PolarHBondContact O-N 2.86Å; R825-L835 HydrophobicContact CG-CD1 3.68Å; R825-L835 HydrophobicContact CG-CD2 4.38Å; R825-L835 HydrophobicContact CG-CG 3.78Å; R825-I917 WeakPolarHBondContact CA-O 3.25Å; R825-Q918 WeakPolarHBondContact CD-O 3.42Å; R825-F919 HydrophobicContact CB-CB 3.9Å; R825-F919 HydrophobicContact CB-CD2 4.2Å; R825-E923 IonicContact CZ-OE1 3.11Å; R825-E923 IonicContact CZ-OE2 2.79Å; R825-E923 IonicContact NE-OE1 2.68Å; R825-E923 PolarHBondContact NE-OE1 3.17Å; R825-E923 VanDerWaalsContact NE-OE1 3.14Å; R825-E923 IonicContact NE-OE2 2.61Å; R825-E923 PolarHBondContact NE-OE2 2.91Å; R825-E923 IonicContact NH2-OE1 3.27Å; R825-E923 IonicContact NH2-OE2 2.89Å; R825-E923 PolarHBondContact NH2-OE2 3.45Å
826V90.4Very high88.9Confident4 Ų434.3 Ų34.32%0.02419%0.188CC..EExtended strand (participates in β ladder)trans-87.8123.5173.1-173.30000109.5H831 Y832 R916 I917 F919V826-H831 CarbonylContact C-O 3.58Å; V826-H831 WeakPolarHBondContact CA-O 3.41Å; V826-Y832 HydrophobicContact CG2-CD1 3.92Å; V826-Y832 HydrophobicContact CG2-CE1 3.49Å; V826-Y832 VanDerWaalsContact CG2-CE1 3.49Å; V826-R916 HydrophobicContact CG2-CB 3.8Å; V826-R916 HydrophobicContact CG2-CG 4.16Å; V826-I917 PolarHBondContact N-O 3.09Å; V826-F919 PolarHBondContact O-N 3.26Å
827V84.8Confident88.5Confident1 Ų138.7 Ų38.71%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-106127.6173.9-1630000108.2K829 S830 H831 T833 F857 Y880 I885 F919V827-K829 PolarHBondContact O-N 3.42Å; V827-S830 PolarHBondContact O-N 3.38Å; V827-H831 HydrophobicContact CB-CB 4.24Å; V827-H831 PolarHBondContact N-O 3.46Å; V827-H831 PolarHBondContact O-N 3.34Å; V827-T833 HydrophobicContact CG2-CG2 3.7Å; V827-F857 HydrophobicContact CB-CZ 4.08Å; V827-F857 HydrophobicContact CG1-CE1 4.17Å; V827-F857 HydrophobicContact CG1-CZ 3.64Å; V827-Y880 HydrophobicContact CG1-CD1 3.83Å; V827-Y880 HydrophobicContact CG1-CD2 3.84Å; V827-Y880 HydrophobicContact CG1-CE1 3.46Å; V827-Y880 VanDerWaalsContact CG1-CE1 3.46Å; V827-Y880 HydrophobicContact CG1-CE2 3.48Å; V827-Y880 VanDerWaalsContact CG1-CE2 3.48Å; V827-Y880 HydrophobicContact CG1-CG 3.99Å; V827-I885 HydrophobicContact CG2-CD1 4.24Å; V827-F919 HydrophobicContact CG2-CB 3.91Å; V827-F919 HydrophobicContact CG2-CD2 4.38Å; V827-F919 HydrophobicContact CG2-CG 4.12Å
828E75.5Confident88.2Confident70 Ų7038.2 Ų38.233%0.32721%0.212SC..THydrogen-bonded Turntrans48.537.2176.6-70.1173.9174.500114.2S830 S856 Y880 K881E828-S830 PolarHBondContact O-N 2.88Å; E828-S830 PolarHBondContact O-OG 3.04Å; E828-S856 PolarHBondContact OE1-OG 3.06Å; E828-S856 VanDerWaalsContact OE1-OG 3.07Å; E828-S856 WeakPolarHBondContact OE2-CB 3.42Å; E828-S856 PolarHBondContact OE2-OG 3.44Å; E828-S856 VanDerWaalsContact OE2-OG 3.13Å; E828-Y880 HydrophobicContact CG-CE2 4.24Å; E828-Y880 WeakPolarHBondContact OE1-CE2 3.38Å; E828-Y880 PolarHBondContact OE1-OH 2.95Å; E828-Y880 VanDerWaalsContact OE1-OH 3.05Å; E828-K881 IonicContact OE1-NZ 2.7Å; E828-K881 PolarHBondContact OE1-NZ 3.2Å
829K70.6Confident88Confident155 Ų15538.5 Ų38.567%0.67421%0.213SC*.THydrogen-bonded Turntrans69.8-28.8177.4-48.9161.9-172.3163.90115.8V827V827-K829 PolarHBondContact O-N 3.42Å
830S79.2Confident87.7Confident64 Ų6443 Ų4345%0.44823%0.233SC..THydrogen-bonded Turntrans-107.2-23.2-173.639.60000115.6V827 E828 Y832V827-S830 PolarHBondContact O-N 3.38Å; E828-S830 PolarHBondContact O-N 2.88Å; E828-S830 PolarHBondContact O-OG 3.04Å; S830-Y832 WeakPolarHBondContact O-CD2 3.21Å; S830-Y832 VanDerWaalsContact O-CE2 3.27Å; S830-Y832 WeakPolarHBondContact O-CE2 3.46Å
831H86Confident87.4Confident30 Ų3046.7 Ų46.714%0.13925%0.253CS..EExtended strand (participates in β ladder)trans-104.2148.9-173.8-53.9-88.9000110.4V826 V827 F857 V887V826-H831 CarbonylContact C-O 3.58Å; V826-H831 WeakPolarHBondContact CA-O 3.41Å; V827-H831 HydrophobicContact CB-CB 4.24Å; V827-H831 PolarHBondContact N-O 3.46Å; V827-H831 PolarHBondContact O-N 3.34Å; H831-F857 HydrophobicContact CB-CZ 4.07Å; H831-F857 AromaticContact CD2-CE2 3.82Å; H831-F857 AromaticContact CG-CZ 3.93Å; H831-V887 HydrophobicContact CB-CG1 4.3Å
832Y92.1Very high87.4Confident6 Ų650.1 Ų50.12%0.02427%0.265CS..EExtended strand (participates in β ladder)trans-131.6112.8-171.8-67.7-104000108.4V824 R825 V826 S830 V887 I888 W909 F914V824-Y832 HydrophobicContact CG1-CD1 3.93Å; R825-Y832 WeakPolarHBondContact O-CA 3.13Å; V826-Y832 HydrophobicContact CG2-CD1 3.92Å; V826-Y832 HydrophobicContact CG2-CE1 3.49Å; V826-Y832 VanDerWaalsContact CG2-CE1 3.49Å; S830-Y832 WeakPolarHBondContact O-CD2 3.21Å; S830-Y832 VanDerWaalsContact O-CE2 3.27Å; S830-Y832 WeakPolarHBondContact O-CE2 3.46Å; Y832-V887 WeakPolarHBondContact O-CA 3.45Å; Y832-I888 WeakPolarHBondContact O-CG1 3.5Å; Y832-I888 PolarHBondContact O-N 3.31Å; Y832-W909 VanDerWaalsContact CB-CE2 3.48Å; Y832-W909 AromaticContact CD1-CD2 3.61Å; Y832-W909 HydrophobicContact CD1-CD2 3.61Å; Y832-W909 AromaticContact CD1-CE2 3.99Å; Y832-W909 AromaticContact CD1-CE3 3.52Å; Y832-W909 HydrophobicContact CD1-CE3 3.52Å; Y832-W909 HydrophobicContact CD1-CG 4.14Å; Y832-W909 HydrophobicContact CD1-CH2 4.18Å; Y832-W909 HydrophobicContact CD1-CZ2 4.28Å; Y832-W909 AromaticContact CD1-CZ3 3.8Å; Y832-W909 HydrophobicContact CD1-CZ3 3.8Å; Y832-W909 HydrophobicContact CD2-CB 3.79Å; Y832-W909 AromaticContact CD2-CD1 3.36Å; Y832-W909 AromaticContact CD2-CD2 3.66Å; Y832-W909 HydrophobicContact CD2-CD2 3.66Å; Y832-W909 AromaticContact CD2-CE2 3.88Å; Y832-W909 HydrophobicContact CD2-CE3 4.4Å; Y832-W909 AromaticContact CD2-CG 3.36Å; Y832-W909 HydrophobicContact CD2-CG 3.36Å; Y832-W909 AromaticContact CD2-NE1 3.67Å; Y832-W909 HydrophobicContact CE1-CB 4.21Å; Y832-W909 AromaticContact CE1-CD2 3.98Å; Y832-W909 HydrophobicContact CE1-CD2 3.98Å; Y832-W909 AromaticContact CE1-CE3 3.75Å; Y832-W909 HydrophobicContact CE1-CE3 3.75Å; Y832-W909 HydrophobicContact CE1-CG 4.23Å; Y832-W909 HydrophobicContact CE1-CZ3 4.34Å; Y832-W909 HydrophobicContact CE2-CB 3.38Å; Y832-W909 AromaticContact CE2-CD1 3.89Å; Y832-W909 HydrophobicContact CE2-CD2 4.08Å; Y832-W909 AromaticContact CE2-CG 3.54Å; Y832-W909 HydrophobicContact CE2-CG 3.54Å; Y832-W909 HydrophobicContact CG-CB 4.43Å; Y832-W909 AromaticContact CG-CD1 3.86Å; Y832-W909 AromaticContact CG-CD2 3.46Å; Y832-W909 HydrophobicContact CG-CD2 3.46Å; Y832-W909 VanDerWaalsContact CG-CD2 3.46Å; Y832-W909 AromaticContact CG-CE2 3.49Å; Y832-W909 VanDerWaalsContact CG-CE2 3.49Å; Y832-W909 AromaticContact CG-CE3 3.89Å; Y832-W909 HydrophobicContact CG-CE3 3.89Å; Y832-W909 AromaticContact CG-CG 3.74Å; Y832-W909 HydrophobicContact CG-CG 3.74Å; Y832-W909 HydrophobicContact CG-CH2 4.33Å; Y832-W909 AromaticContact CG-CZ2 3.97Å; Y832-W909 HydrophobicContact CG-CZ2 3.97Å; Y832-W909 HydrophobicContact CG-CZ3 4.29Å; Y832-W909 AromaticContact CG-NE1 3.72Å; Y832-W909 AromaticContact CZ-CG 3.99Å; Y832-F914 HydrophobicContact CD1-CE1 4.45Å; Y832-F914 AromaticContact CD1-CZ 3.91Å; Y832-F914 HydrophobicContact CD1-CZ 3.91Å; Y832-F914 AromaticContact CE1-CE1 3.94Å; Y832-F914 HydrophobicContact CE1-CE1 3.94Å; Y832-F914 AromaticContact CE1-CZ 3.69Å; Y832-F914 HydrophobicContact CE1-CZ 3.69Å
833T93.5Very high87.5Confident0 Ų049 Ų490%025%0.252CS..EExtended strand (participates in β ladder)trans-105.9164.4176.3-172.80000110.6V824 R825 V827 L835 I885 P886 F919V824-T833 CarbonylContact C-O 3.58Å; V824-T833 VanDerWaalsContact CA-O 3.28Å; V824-T833 WeakPolarHBondContact CA-O 3.45Å; R825-T833 HydrophobicContact CB-CG2 3.83Å; R825-T833 PolarHBondContact N-O 3.45Å; R825-T833 PolarHBondContact O-N 2.86Å; V827-T833 HydrophobicContact CG2-CG2 3.7Å; T833-L835 HydrophobicContact CG2-CD2 4.27Å; T833-I885 HydrophobicContact CG2-CD1 4.29Å; T833-P886 VanDerWaalsContact CA-O 3.29Å; T833-P886 WeakPolarHBondContact CA-O 3.33Å; T833-P886 PolarHBondContact OG1-O 3.39Å; T833-P886 VanDerWaalsContact OG1-O 3.07Å; T833-F919 HydrophobicContact CG2-CD2 3.94Å; T833-F919 HydrophobicContact CG2-CE2 4.48Å
834V93.2Very high87.4Confident5 Ų549.6 Ų49.63%0.0326%0.257CS..EExtended strand (participates in β ladder)trans-121.2132.7173.1-174.60000108.4C819 D823 V824 F839 I888C819-V834 HydrophobicContact CB-CG1 3.55Å; C819-V834 HydrophobicContact CB-CG2 4.42Å; D823-V834 HydrophobicContact CB-CG1 3.89Å; D823-V834 WeakPolarHBondContact O-CA 3.45Å; V824-V834 HydrophobicContact CG2-CG2 4.42Å; V834-F839 HydrophobicContact CB-CD1 3.62Å; V834-F839 HydrophobicContact CB-CD2 4.32Å; V834-F839 HydrophobicContact CB-CE1 3.81Å; V834-F839 HydrophobicContact CB-CE2 4.48Å; V834-F839 HydrophobicContact CB-CG 3.89Å; V834-F839 HydrophobicContact CB-CZ 4.25Å; V834-F839 HydrophobicContact CG1-CB 3.87Å; V834-F839 HydrophobicContact CG1-CD1 3.84Å; V834-F839 HydrophobicContact CG1-CD2 3.85Å; V834-F839 HydrophobicContact CG1-CE1 4.37Å; V834-F839 HydrophobicContact CG1-CE2 4.37Å; V834-F839 HydrophobicContact CG1-CG 3.56Å; V834-F839 HydrophobicContact CG2-CD1 4.28Å; V834-F839 HydrophobicContact CG2-CE1 3.99Å; V834-F839 HydrophobicContact CG2-CE2 4.3Å; V834-F839 HydrophobicContact CG2-CZ 4.01Å; V834-I888 HydrophobicContact CG2-CD1 3.43Å; V834-I888 VanDerWaalsContact CG2-CD1 3.43Å; V834-I888 HydrophobicContact CG2-CG1 3.93Å
835L85.8Confident87.1Confident24 Ų2453.1 Ų53.113%0.12628%0.282CS..  trans-95.3162.5178.5-56.2-168000112.7D823 R825 T833 F919 E923 M924D823-L835 PolarHBondContact O-N 3.49Å; R825-L835 HydrophobicContact CG-CD1 3.68Å; R825-L835 HydrophobicContact CG-CD2 4.38Å; R825-L835 HydrophobicContact CG-CG 3.78Å; T833-L835 HydrophobicContact CG2-CD2 4.27Å; L835-F919 HydrophobicContact CD2-CD2 4.28Å; L835-F919 HydrophobicContact CD2-CE2 4.09Å; L835-E923 HydrophobicContact CD1-CB 3.64Å; L835-E923 HydrophobicContact CD1-CG 4.47Å; L835-E923 WeakPolarHBondContact CD1-OE2 3.39Å; L835-M924 HydrophobicContact CD2-SD 3.75Å
836G80.9Confident86.7Confident46 Ų4657.3 Ų57.347%0.47430%0.301SS..SBendtrans93.1138.7172.800000115.1A838 F839G836-A838 PolarHBondContact O-N 2.92Å; G836-F839 PolarHBondContact O-N 3.32Å
837E81.9Confident86.3Confident122 Ų12261.7 Ų61.757%0.5733%0.33SS*.Hα-helixtrans-56.6-35.4-177.8-59-51.9105.200113.2F839 K840E837-F839 PolarHBondContact O-N 3.25Å; E837-K840 WeakPolarHBondContact O-CB 3.22Å; E837-K840 PolarHBondContact O-N 3.44Å; E837-K840 WeakPolarHBondContact OE1-CE 3.18Å; E837-K840 IonicContact OE1-NZ 3.29Å; E837-K840 PolarHBondContact OE1-NZ 2.69Å; E837-K840 WeakPolarHBondContact OE2-CD 3.39Å; E837-K840 WeakPolarHBondContact OE2-CE 3.43Å; E837-K840 IonicContact OE2-NZ 2.65Å; E837-K840 PolarHBondContact OE2-NZ 2.71Å
838A86.8Confident85.7Confident57 Ų5762.2 Ų62.247%0.47133%0.332SS..Hα-helixtrans-60.4-15178.100000114.2G836 R842G836-A838 PolarHBondContact O-N 2.92Å; A838-R842 VanDerWaalsContact O-CD 3.25Å; A838-R842 WeakPolarHBondContact O-CD 3.35Å; A838-R842 WeakPolarHBondContact O-CG 3.45Å; A838-R842 PolarHBondContact O-NE 3.32Å
839F91.4Very high84.9Confident7 Ų762.8 Ų62.83%0.03134%0.342CS..Hα-helixtrans-86.1-30.6170-174.5-110.5000113.1A818 C819 V834 G836 E837 E841 R842 F843 W874 P886 I888A818-F839 HydrophobicContact CB-CE2 4.23Å; A818-F839 WeakPolarHBondContact O-CD2 3.5Å; C819-F839 HydrophobicContact CB-CD2 3.98Å; C819-F839 HydrophobicContact CB-CE2 4.29Å; V834-F839 HydrophobicContact CB-CD1 3.62Å; V834-F839 HydrophobicContact CB-CD2 4.32Å; V834-F839 HydrophobicContact CB-CE1 3.81Å; V834-F839 HydrophobicContact CB-CE2 4.48Å; V834-F839 HydrophobicContact CB-CG 3.89Å; V834-F839 HydrophobicContact CB-CZ 4.25Å; V834-F839 HydrophobicContact CG1-CB 3.87Å; V834-F839 HydrophobicContact CG1-CD1 3.84Å; V834-F839 HydrophobicContact CG1-CD2 3.85Å; V834-F839 HydrophobicContact CG1-CE1 4.37Å; V834-F839 HydrophobicContact CG1-CE2 4.37Å; V834-F839 HydrophobicContact CG1-CG 3.56Å; V834-F839 HydrophobicContact CG2-CD1 4.28Å; V834-F839 HydrophobicContact CG2-CE1 3.99Å; V834-F839 HydrophobicContact CG2-CE2 4.3Å; V834-F839 HydrophobicContact CG2-CZ 4.01Å; G836-F839 PolarHBondContact O-N 3.32Å; E837-F839 PolarHBondContact O-N 3.25Å; F839-E841 VanDerWaalsContact C-N 3.3Å; F839-E841 PolarHBondContact O-N 3.15Å; F839-R842 WeakPolarHBondContact O-CB 3.27Å; F839-R842 PolarHBondContact O-N 2.86Å; F839-F843 AromaticContact CD1-CD1 3.82Å; F839-F843 HydrophobicContact CD1-CD1 3.82Å; F839-F843 AromaticContact CD1-CE1 3.67Å; F839-F843 HydrophobicContact CD1-CE1 3.67Å; F839-F843 AromaticContact CE1-CD1 3.56Å; F839-F843 HydrophobicContact CE1-CD1 3.56Å; F839-F843 AromaticContact CE1-CE1 3.68Å; F839-F843 HydrophobicContact CE1-CE1 3.68Å; F839-F843 HydrophobicContact CZ-CD1 4.09Å; F839-F843 WeakPolarHBondContact O-CD1 3.41Å; F839-W874 HydrophobicContact CE2-CE3 4.25Å; F839-W874 AromaticContact CE2-CZ3 3.8Å; F839-W874 HydrophobicContact CE2-CZ3 3.8Å; F839-W874 HydrophobicContact CZ-CE3 4.04Å; F839-W874 HydrophobicContact CZ-CZ3 4.03Å; F839-P886 HydrophobicContact CD1-CB 4.43Å; F839-P886 HydrophobicContact CD1-CG 3.72Å; F839-P886 HydrophobicContact CE1-CB 3.88Å; F839-P886 HydrophobicContact CE1-CG 3.63Å; F839-I888 HydrophobicContact CE1-CG2 4.37Å; F839-I888 HydrophobicContact CZ-CG2 3.96Å
840K88.7Confident84.4Confident96 Ų9658.9 Ų58.942%0.41733%0.325SS..Hα-helixtrans-62-38.1179.4-61.4-176.9-171.61660111.9E837 R842 F843E837-K840 WeakPolarHBondContact O-CB 3.22Å; E837-K840 PolarHBondContact O-N 3.44Å; E837-K840 WeakPolarHBondContact OE1-CE 3.18Å; E837-K840 IonicContact OE1-NZ 3.29Å; E837-K840 PolarHBondContact OE1-NZ 2.69Å; E837-K840 WeakPolarHBondContact OE2-CD 3.39Å; E837-K840 WeakPolarHBondContact OE2-CE 3.43Å; E837-K840 IonicContact OE2-NZ 2.65Å; E837-K840 PolarHBondContact OE2-NZ 2.71Å; K840-R842 PolarHBondContact O-N 2.7Å; K840-F843 VanDerWaalsContact O-O 3.08Å
841E90.3Very high83.7Confident162 Ų16257.8 Ų57.876%0.75732%0.316SS*.THydrogen-bonded Turntrans-64.1-17.2175.5-60.4-179158.700113.8F839F839-E841 VanDerWaalsContact C-N 3.3Å; F839-E841 PolarHBondContact O-N 3.15Å
842R92.1Very high82.5Confident80 Ų8058 Ų5830%0.30232%0.316SS..THydrogen-bonded Turntrans-97.1-11.1-171.1-60.1175.8-173-165.8-3.2113.7A818 A838 F839 K840 A866 W874A818-R842 WeakPolarHBondContact O-CD 3.27Å; A818-R842 PolarHBondContact O-NH1 3.49Å; A838-R842 VanDerWaalsContact O-CD 3.25Å; A838-R842 WeakPolarHBondContact O-CD 3.35Å; A838-R842 WeakPolarHBondContact O-CG 3.45Å; A838-R842 PolarHBondContact O-NE 3.32Å; F839-R842 WeakPolarHBondContact O-CB 3.27Å; F839-R842 PolarHBondContact O-N 2.86Å; K840-R842 PolarHBondContact O-N 2.7Å; R842-A866 VanDerWaalsContact C-CB 3.44Å; R842-A866 VanDerWaalsContact O-CB 3.28Å; R842-A866 WeakPolarHBondContact O-CB 3.2Å; R842-A866 PolarHBondContact O-N 2.87Å; R842-W874 HydrophobicContact CB-CH2 4.15Å; R842-W874 HydrophobicContact CB-CZ3 4.14Å; R842-W874 VanDerWaalsContact O-CH2 3.26Å; R842-W874 WeakPolarHBondContact O-CH2 3.4Å; R842-W874 VanDerWaalsContact O-CZ3 3.32Å; R842-W874 WeakPolarHBondContact O-CZ3 3.21Å
843F93.7Very high81.2Confident18 Ų1858.1 Ų58.18%0.07932%0.318CS..EExtended strand (participates in β ladder)trans-123.1150.9171.170.5-99.2000111.9F839 K840 I863 F864 W874 H877 P886F839-F843 AromaticContact CD1-CD1 3.82Å; F839-F843 HydrophobicContact CD1-CD1 3.82Å; F839-F843 AromaticContact CD1-CE1 3.67Å; F839-F843 HydrophobicContact CD1-CE1 3.67Å; F839-F843 AromaticContact CE1-CD1 3.56Å; F839-F843 HydrophobicContact CE1-CD1 3.56Å; F839-F843 AromaticContact CE1-CE1 3.68Å; F839-F843 HydrophobicContact CE1-CE1 3.68Å; F839-F843 HydrophobicContact CZ-CD1 4.09Å; F839-F843 WeakPolarHBondContact O-CD1 3.41Å; K840-F843 VanDerWaalsContact O-O 3.08Å; F843-I863 HydrophobicContact CB-CB 4.16Å; F843-I863 HydrophobicContact CD2-CB 3.7Å; F843-I863 HydrophobicContact CD2-CG2 3.35Å; F843-I863 HydrophobicContact CE2-CB 4.36Å; F843-I863 HydrophobicContact CE2-CG2 3.52Å; F843-I863 HydrophobicContact CG-CB 4.01Å; F843-I863 HydrophobicContact CG-CG2 4.07Å; F843-I863 HydrophobicContact CZ-CG2 4.34Å; F843-F864 CarbonylContact C-O 3.51Å; F843-F864 WeakPolarHBondContact CA-O 3.3Å; F843-F864 WeakPolarHBondContact CB-O 3.33Å; F843-W874 HydrophobicContact CB-CE3 3.87Å; F843-W874 HydrophobicContact CB-CZ3 4.04Å; F843-H877 AromaticContact CE2-ND1 3.63Å; F843-H877 AromaticContact CZ-CE1 3.81Å; F843-H877 AromaticContact CZ-ND1 3.56Å; F843-P886 HydrophobicContact CE1-CB 3.79Å; F843-P886 HydrophobicContact CE1-CG 3.89Å; F843-P886 HydrophobicContact CZ-CB 3.95Å; F843-P886 HydrophobicContact CZ-CG 4.25Å
844V91.8Very high79.5Confident65 Ų6558.5 Ų58.539%0.39432%0.319SS..EExtended strand (participates in β ladder)trans-108.3136.1165.2-69.10000109.3F864 A866V844-F864 HydrophobicContact CG2-CB 4.2Å; V844-F864 PolarHBondContact N-O 2.67Å; V844-F864 PolarHBondContact O-N 2.86Å; V844-A866 HydrophobicContact CG1-CB 4.06Å
845S88.2Confident78Confident75 Ų7562.5 Ų62.552%0.52434%0.34SS..EExtended strand (participates in β ladder)trans-89.5148.8174.851.10000111.2K862S845-K862 CarbonylContact C-O 3.59Å; S845-K862 WeakPolarHBondContact CA-O 3.45Å
846K83.9Confident77.1Confident116 Ų11662.9 Ų62.950%0.50435%0.345SS..EExtended strand (participates in β ladder)trans-131.1139.4159.6-62.2-170173.7-1680109.2H848 A861 K862 F864K846-H848 PolarHBondContact O-N 3.35Å; K846-A861 CarbonylContact O-C 3.57Å; K846-A861 VanDerWaalsContact O-CA 3.25Å; K846-A861 WeakPolarHBondContact O-CA 3.4Å; K846-A861 VanDerWaalsContact O-CB 3.22Å; K846-A861 WeakPolarHBondContact O-CB 3.38Å; K846-K862 PolarHBondContact N-O 2.87Å; K846-K862 PolarHBondContact O-N 3.33Å; K846-F864 HydrophobicContact CB-CE2 3.98Å; K846-F864 HydrophobicContact CD-CE2 4.26Å; K846-F864 HydrophobicContact CG-CD2 4.36Å; K846-F864 HydrophobicContact CG-CE2 4.02Å
847P82.8Confident76.9Confident96 Ų9661 Ų6162%0.62332%0.324SS*.EExtended strand (participates in β ladder)trans-48.4136.7177.2-29.435.7000112.6
848H72.4Confident76.8Confident12 Ų1255.7 Ų55.76%0.05630%0.299CS..  trans-73.7127.2-173.9-162.5-87.1000110T668 K846 K850 P851 K860 K862T668-H848 PolarHBondContact O-CE1 3.33Å; K846-H848 PolarHBondContact O-N 3.35Å; H848-K850 VanDerWaalsContact C-N 3.28Å; H848-K850 PolarHBondContact CE1-O 3.5Å; H848-K850 VanDerWaalsContact ND1-C 3.28Å; H848-K850 PolarHBondContact ND1-O 3.36Å; H848-K850 PolarHBondContact O-N 3.24Å; H848-P851 HydrophobicContact CB-CB 4.34Å; H848-P851 HydrophobicContact CB-CG 4.3Å; H848-K860 PolarHBondContact N-O 2.98Å; H848-K862 WeakPolarHBondContact CD2-CG 3.13Å
849P58.4Low76.5Confident82 Ų8253 Ų5353%0.53228%0.277SS..SBendtrans-72.8-17.8-170.228.7-36.5000114.4
850K59.4Low76.1Confident73 Ų7357.2 Ų57.232%0.31730%0.295SS..SBendtrans-150.588.9175.4-69.5-176.9-177.2175.40110.6T672 G673 H848T672-K850 PolarHBondContact O-NZ 2.96Å; G673-K850 PolarHBondContact O-NZ 3.03Å; G673-K850 VanDerWaalsContact O-NZ 3.14Å; H848-K850 VanDerWaalsContact C-N 3.28Å; H848-K850 PolarHBondContact CE1-O 3.5Å; H848-K850 VanDerWaalsContact ND1-C 3.28Å; H848-K850 PolarHBondContact ND1-O 3.36Å; H848-K850 PolarHBondContact O-N 3.24Å
851P63.7Low76Confident41 Ų4153 Ų5327%0.26628%0.279SS..  trans-93.3149.2173.225.9-9.8000110.7K198 H848 K859K198-P851 HydrophobicContact CB-CB 3.51Å; K198-P851 HydrophobicContact CD-CB 3.53Å; K198-P851 HydrophobicContact CD-CG 3.85Å; K198-P851 WeakPolarHBondContact CD-O 3.12Å; K198-P851 HydrophobicContact CG-CB 3.87Å; H848-P851 HydrophobicContact CB-CB 4.34Å; H848-P851 HydrophobicContact CB-CG 4.3Å; P851-K859 HydrophobicContact CB-CB 4.47Å; P851-K859 VanDerWaalsContact CB-O 3.24Å; P851-K859 WeakPolarHBondContact CB-O 3.31Å
852K61.3Low75.8Confident34 Ų3446.2 Ų46.215%0.14825%0.246CC..  trans-130.5-122.6178.424.3140.8-174.21720116.9S197 K198 A199 E216 E217 E219S197-K852 CarbonylContact C-O 3.55Å; K198-K852 CarbonylContact C-O 3.59Å; K198-K852 VanDerWaalsContact C-O 3.32Å; K198-K852 WeakPolarHBondContact CA-O 3.28Å; K198-K852 WeakPolarHBondContact CB-O 3.41Å; K198-K852 WeakPolarHBondContact CD-O 3.47Å; K198-K852 WeakPolarHBondContact CG-O 3.24Å; K198-K852 PolarHBondContact N-O 3.27Å; K198-K852 PolarHBondContact O-N 3.32Å; A199-K852 VanDerWaalsContact CB-C 3.42Å; A199-K852 VanDerWaalsContact CB-CA 3.48Å; A199-K852 HydrophobicContact CB-CB 3.69Å; A199-K852 HydrophobicContact CB-CD 3.86Å; A199-K852 HydrophobicContact CB-CG 3.41Å; A199-K852 VanDerWaalsContact CB-CG 3.41Å; E216-K852 IonicContact OE2-NZ 3.18Å; E216-K852 PolarHBondContact OE2-NZ 3.31Å; E217-K852 VanDerWaalsContact O-CD 3.29Å; E217-K852 WeakPolarHBondContact O-CD 3.49Å; E217-K852 WeakPolarHBondContact O-CE 3.46Å; E217-K852 PolarHBondContact O-NZ 2.88Å; E219-K852 VanDerWaalsContact CB-C 3.48Å; E219-K852 HydrophobicContact CB-CB 3.51Å; E219-K852 VanDerWaalsContact CD-O 3.29Å
853I65.3Low75.8Confident9 Ų942.4 Ų42.45%0.04623%0.232CC..  trans-142.6151.8164.6-13.9168.4000115.5S197 A199 E217 P218 E219 E331S197-I853 VanDerWaalsContact CA-CG2 3.46Å; A199-I853 WeakPolarHBondContact CA-O 3.39Å; A199-I853 VanDerWaalsContact CB-N 3.32Å; A199-I853 VanDerWaalsContact N-C 3.26Å; E217-I853 CarbonylContact C-O 3.56Å; E217-I853 VanDerWaalsContact C-O 3.28Å; E217-I853 WeakPolarHBondContact CB-O 3.48Å; P218-I853 CarbonylContact O-C 3.58Å; P218-I853 VanDerWaalsContact O-CA 3.25Å; P218-I853 WeakPolarHBondContact O-CA 3.47Å; P218-I853 VanDerWaalsContact O-CB 3.26Å; P218-I853 WeakPolarHBondContact O-CB 3.36Å; P218-I853 VanDerWaalsContact O-CG1 3.22Å; P218-I853 WeakPolarHBondContact O-CG1 3.49Å; P218-I853 PolarHBondContact O-N 2.74Å; P218-I853 VanDerWaalsContact O-O 3.12Å; E219-I853 HydrophobicContact CB-CD1 4.2Å; E219-I853 HydrophobicContact CB-CG1 3.5Å; E219-I853 HydrophobicContact CG-CD1 3.96Å; E219-I853 HydrophobicContact CG-CG1 3.48Å; E219-I853 VanDerWaalsContact CG-CG1 3.48Å; E331-I853 VanDerWaalsContact CD-CG2 3.44Å; E331-I853 VanDerWaalsContact OE1-CB 3.31Å; E331-I853 WeakPolarHBondContact OE1-CB 3.48Å; E331-I853 WeakPolarHBondContact OE1-CG2 3.29Å; E331-I853 WeakPolarHBondContact OE2-CG2 3.15Å
854Y58.2Low75.7Confident8 Ų843.4 Ų43.43%0.03124%0.236CC..  trans-155135.9177.1-20.7-79.8000110.3K198 A199 V200 E217 E331 S856 F857 K859K198-Y854 VanDerWaalsContact C-CD2 3.44Å; K198-Y854 WeakPolarHBondContact O-CE2 3.27Å; A199-Y854 VanDerWaalsContact C-CB 3.45Å; A199-Y854 WeakPolarHBondContact CA-OH 3.32Å; A199-Y854 HydrophobicContact CB-CD1 3.29Å; A199-Y854 HydrophobicContact CB-CD2 3.83Å; A199-Y854 HydrophobicContact CB-CE1 2.63Å; A199-Y854 HydrophobicContact CB-CE2 3.28Å; A199-Y854 HydrophobicContact CB-CG 3.83Å; A199-Y854 WeakPolarHBondContact CB-OH 3.46Å; A199-Y854 WeakPolarHBondContact O-CD1 3.47Å; A199-Y854 WeakPolarHBondContact O-CD2 3.49Å; A199-Y854 WeakPolarHBondContact O-CE2 3.11Å; V200-Y854 HydrophobicContact CB-CE1 4.05Å; V200-Y854 HydrophobicContact CB-CE2 4.33Å; E217-Y854 HydrophobicContact CB-CD1 4.18Å; E331-Y854 WeakPolarHBondContact OE1-CA 3.21Å; E331-Y854 PolarHBondContact OE1-N 2.86Å; Y854-S856 PolarHBondContact O-N 2.93Å; Y854-F857 HydrophobicContact CD2-CB 3.88Å; Y854-F857 WeakPolarHBondContact CD2-O 3.37Å; Y854-F857 PolarHBondContact O-N 2.98Å; Y854-K859 HydrophobicContact CE2-CB 4.37Å; Y854-K859 HydrophobicContact CE2-CD 3.53Å; Y854-K859 VanDerWaalsContact CE2-CE 3.43Å; Y854-K859 HydrophobicContact CE2-CG 3.73Å; Y854-K859 VanDerWaalsContact OH-CD 3.29Å; Y854-K859 WeakPolarHBondContact OH-CD 3.48Å; Y854-K859 WeakPolarHBondContact OH-CE 3.44Å; Y854-K859 PolarHBondContact OH-NZ 3.27Å
855D60.8Low75.7Confident89 Ų8940.4 Ų40.448%0.47622%0.218SC..THydrogen-bonded Turntrans23.1-84.4166.5-71.8-56.9000116.4E331E331-D855 PolarHBondContact OE1-N 2.62Å; E331-D855 VanDerWaalsContact OE1-N 3.16Å
856S67.8Low75.8Confident32 Ų3238.3 Ų38.322%0.22421%0.205CC..THydrogen-bonded Turntrans-125.112.3-173.9-61.90000114.7E828 Y854 Y880 K881E828-S856 PolarHBondContact OE1-OG 3.06Å; E828-S856 VanDerWaalsContact OE1-OG 3.07Å; E828-S856 WeakPolarHBondContact OE2-CB 3.42Å; E828-S856 PolarHBondContact OE2-OG 3.44Å; E828-S856 VanDerWaalsContact OE2-OG 3.13Å; Y854-S856 PolarHBondContact O-N 2.93Å; S856-Y880 VanDerWaalsContact CB-CE2 3.47Å; S856-Y880 WeakPolarHBondContact O-CA 3.47Å; S856-K881 PolarHBondContact O-N 3.47Å
857F75.8Confident75.8Confident8 Ų837 Ų374%0.03520%0.203CC..BIsolated β-bridgetrans-130.4113.8-152.4-73.2-76.9000119.6K198 A199 V827 H831 Y854 V878 K879 Y880K198-F857 CarbonylContact C-O 3.55Å; K198-F857 VanDerWaalsContact CA-O 3.29Å; K198-F857 WeakPolarHBondContact CA-O 3.29Å; A199-F857 PolarHBondContact N-O 3.43Å; V827-F857 HydrophobicContact CB-CZ 4.08Å; V827-F857 HydrophobicContact CG1-CE1 4.17Å; V827-F857 HydrophobicContact CG1-CZ 3.64Å; H831-F857 HydrophobicContact CB-CZ 4.07Å; H831-F857 AromaticContact CD2-CE2 3.82Å; H831-F857 AromaticContact CG-CZ 3.93Å; Y854-F857 HydrophobicContact CD2-CB 3.88Å; Y854-F857 WeakPolarHBondContact CD2-O 3.37Å; Y854-F857 PolarHBondContact O-N 2.98Å; F857-V878 HydrophobicContact CD1-CB 4.24Å; F857-V878 HydrophobicContact CD1-CG2 3.77Å; F857-V878 HydrophobicContact CE1-CG2 4.18Å; F857-K879 CarbonylContact C-O 3.55Å; F857-K879 WeakPolarHBondContact CA-O 3.37Å; F857-Y880 AromaticContact CD1-CD2 3.84Å; F857-Y880 HydrophobicContact CD1-CD2 3.84Å; F857-Y880 HydrophobicContact CD1-CG 4.33Å; F857-Y880 HydrophobicContact CD2-CD2 4.41Å; F857-Y880 AromaticContact CE1-CD2 3.41Å; F857-Y880 HydrophobicContact CE1-CD2 3.41Å; F857-Y880 VanDerWaalsContact CE1-CD2 3.41Å; F857-Y880 HydrophobicContact CE1-CE2 4.23Å; F857-Y880 AromaticContact CE1-CG 3.85Å; F857-Y880 HydrophobicContact CE1-CG 3.85Å; F857-Y880 HydrophobicContact CE2-CD2 4.01Å; F857-Y880 HydrophobicContact CE2-CE2 4.18Å; F857-Y880 HydrophobicContact CG-CD2 4.35Å; F857-Y880 AromaticContact CZ-CD2 3.51Å; F857-Y880 HydrophobicContact CZ-CD2 3.51Å; F857-Y880 AromaticContact CZ-CE2 3.86Å; F857-Y880 HydrophobicContact CZ-CE2 3.86Å; F857-Y880 HydrophobicContact CZ-CG 4.3Å
858E80.7Confident75.4Confident10 Ų1039.4 Ų39.45%0.04721%0.206CC..  trans-63.971.2162-172.8-165.9-150.700122.7E196 S197 K198 K860 V878 K879E196-E858 WeakPolarHBondContact CA-OE2 3.42Å; E196-E858 HydrophobicContact CB-CB 4.23Å; E196-E858 VanDerWaalsContact CD-OE2 3.29Å; E196-E858 HydrophobicContact CG-CB 4.25Å; E196-E858 HydrophobicContact CG-CG 4.42Å; E196-E858 VanDerWaalsContact CG-OE2 3.28Å; E196-E858 WeakPolarHBondContact CG-OE2 3.27Å; E196-E858 PolarHBondContact N-OE2 3.5Å; E196-E858 WeakPolarHBondContact OE2-CA 3.45Å; E196-E858 WeakPolarHBondContact OE2-CB 3.44Å; S197-E858 WeakPolarHBondContact O-CB 3.22Å; S197-E858 WeakPolarHBondContact O-CG 3.48Å; S197-E858 VanDerWaalsContact O-OE2 3.13Å; K198-E858 HydrophobicContact CB-CB 4.15Å; K198-E858 HydrophobicContact CB-CG 3.92Å; K198-E858 HydrophobicContact CG-CG 4.16Å; E858-K860 VanDerWaalsContact C-N 3.34Å; E858-K860 VanDerWaalsContact CD-CE 3.46Å; E858-K860 HydrophobicContact CG-CD 4.11Å; E858-K860 HydrophobicContact CG-CG 4.13Å; E858-K860 PolarHBondContact O-N 2.85Å; E858-K860 WeakPolarHBondContact OE1-CD 3.35Å; E858-K860 WeakPolarHBondContact OE1-CE 3Å; E858-K860 IonicContact OE1-NZ 3.33Å; E858-K860 PolarHBondContact OE1-NZ 3.27Å; E858-K860 VanDerWaalsContact OE2-CE 3.24Å; E858-K860 WeakPolarHBondContact OE2-CE 3.48Å; E858-K860 IonicContact OE2-NZ 2.82Å; E858-K860 PolarHBondContact OE2-NZ 2.95Å; E858-V878 CarbonylContact O-C 3.57Å; E858-V878 VanDerWaalsContact O-C 3.27Å; E858-V878 WeakPolarHBondContact O-CA 3.43Å; E858-K879 WeakPolarHBondContact CA-O 3.41Å; E858-K879 PolarHBondContact N-O 2.95Å; E858-K879 PolarHBondContact O-N 3.36Å
859K79.4Confident75.3Confident0 Ų042.6 Ų42.60%022%0.223CC..  trans-63.187.3162.4-79.3178.2-170.3-1690115K198 N669 P851 Y854 I876 V878K198-K859 WeakPolarHBondContact O-CB 3.15Å; N669-K859 PolarHBondContact OD1-NZ 3.28Å; P851-K859 HydrophobicContact CB-CB 4.47Å; P851-K859 VanDerWaalsContact CB-O 3.24Å; P851-K859 WeakPolarHBondContact CB-O 3.31Å; Y854-K859 HydrophobicContact CE2-CB 4.37Å; Y854-K859 HydrophobicContact CE2-CD 3.53Å; Y854-K859 VanDerWaalsContact CE2-CE 3.43Å; Y854-K859 HydrophobicContact CE2-CG 3.73Å; Y854-K859 VanDerWaalsContact OH-CD 3.29Å; Y854-K859 WeakPolarHBondContact OH-CD 3.48Å; Y854-K859 WeakPolarHBondContact OH-CE 3.44Å; Y854-K859 PolarHBondContact OH-NZ 3.27Å; K859-I876 HydrophobicContact CD-CB 4.43Å; K859-I876 HydrophobicContact CD-CD1 4.18Å; K859-I876 HydrophobicContact CD-CG2 3.94Å; K859-I876 HydrophobicContact CG-CB 4.08Å; K859-I876 HydrophobicContact CG-CD1 3.87Å; K859-I876 HydrophobicContact CG-CG1 4.46Å; K859-I876 HydrophobicContact CG-CG2 4.14Å; K859-V878 HydrophobicContact CG-CG1 3.82Å
860K83.3Confident76.3Confident95 Ų9538.9 Ų38.941%0.41320%0.199SC..  trans-69-42.2163.2-71.1-61.3-177.8-153.70113.1E196 H848 E858 H877E196-K860 WeakPolarHBondContact OE1-CE 3.32Å; E196-K860 IonicContact OE1-NZ 2.7Å; H848-K860 PolarHBondContact N-O 2.98Å; E858-K860 VanDerWaalsContact C-N 3.34Å; E858-K860 VanDerWaalsContact CD-CE 3.46Å; E858-K860 HydrophobicContact CG-CD 4.11Å; E858-K860 HydrophobicContact CG-CG 4.13Å; E858-K860 PolarHBondContact O-N 2.85Å; E858-K860 WeakPolarHBondContact OE1-CD 3.35Å; E858-K860 WeakPolarHBondContact OE1-CE 3Å; E858-K860 IonicContact OE1-NZ 3.33Å; E858-K860 PolarHBondContact OE1-NZ 3.27Å; E858-K860 VanDerWaalsContact OE2-CE 3.24Å; E858-K860 WeakPolarHBondContact OE2-CE 3.48Å; E858-K860 IonicContact OE2-NZ 2.82Å; E858-K860 PolarHBondContact OE2-NZ 2.95Å; K860-H877 PolarHBondContact N-O 3.3Å
861A86.8Confident77.4Confident9 Ų940.9 Ų40.97%0.07421%0.205CC..EExtended strand (participates in β ladder)trans-144.2163.6-166.300000114.4K846 I876 H877K846-A861 CarbonylContact O-C 3.57Å; K846-A861 VanDerWaalsContact O-CA 3.25Å; K846-A861 WeakPolarHBondContact O-CA 3.4Å; K846-A861 VanDerWaalsContact O-CB 3.22Å; K846-A861 WeakPolarHBondContact O-CB 3.38Å; A861-I876 CarbonylContact O-C 3.11Å; A861-I876 WeakPolarHBondContact O-CA 3.43Å; A861-H877 HydrophobicContact CB-CB 3.86Å; A861-H877 PolarHBondContact N-O 3.16Å; A861-H877 PolarHBondContact O-N 2.93Å
862K86.2Confident78.4Confident19 Ų1940.4 Ų40.48%0.08320%0.199CC..EExtended strand (participates in β ladder)trans-92.7143.2155.5-69.4-155.572.9-176.80109.6N669 S845 K846 H848 F864 D873N669-K862 PolarHBondContact O-NZ 2.99Å; S845-K862 CarbonylContact C-O 3.59Å; S845-K862 WeakPolarHBondContact CA-O 3.45Å; K846-K862 PolarHBondContact N-O 2.87Å; K846-K862 PolarHBondContact O-N 3.33Å; H848-K862 WeakPolarHBondContact CD2-CG 3.13Å; K862-F864 HydrophobicContact CB-CD2 4.42Å; K862-F864 HydrophobicContact CB-CE2 3.5Å; K862-F864 VanDerWaalsContact CB-CE2 3.5Å; K862-F864 HydrophobicContact CB-CZ 3.59Å; K862-F864 HydrophobicContact CD-CZ 4.21Å; K862-F864 HydrophobicContact CG-CZ 4.48Å; K862-D873 WeakPolarHBondContact CE-OD1 3.26Å; K862-D873 IonicContact NZ-OD1 2.67Å; K862-D873 PolarHBondContact NZ-OD1 3.18Å; K862-D873 IonicContact NZ-OD2 3.38Å; K862-D873 PolarHBondContact NZ-OD2 2.94Å
863I92.3Very high79.6Confident0 Ų040.4 Ų40.40%020%0.2CC..EExtended strand (participates in β ladder)trans-107.5139.3173.559.2173.2000110.7F843 W874 G875 H877 P886 I888F843-I863 HydrophobicContact CB-CB 4.16Å; F843-I863 HydrophobicContact CD2-CB 3.7Å; F843-I863 HydrophobicContact CD2-CG2 3.35Å; F843-I863 HydrophobicContact CE2-CB 4.36Å; F843-I863 HydrophobicContact CE2-CG2 3.52Å; F843-I863 HydrophobicContact CG-CB 4.01Å; F843-I863 HydrophobicContact CG-CG2 4.07Å; F843-I863 HydrophobicContact CZ-CG2 4.34Å; I863-W874 HydrophobicContact CD1-CB 4.31Å; I863-W874 HydrophobicContact CG1-CB 4.07Å; I863-W874 PolarHBondContact O-N 2.8Å; I863-G875 PolarHBondContact N-O 3.33Å; I863-G875 VanDerWaalsContact N-O 3.14Å; I863-H877 HydrophobicContact CG2-CB 3.83Å; I863-P886 HydrophobicContact CD1-CB 3.79Å; I863-I888 HydrophobicContact CD1-CG2 3.93Å
864F91.3Very high81Confident39 Ų3940 Ų4017%0.17120%0.199CC..EExtended strand (participates in β ladder)trans-132.2150.4-177.6-53-95.7000109.8F843 V844 K846 K862 A866 R871 H872 D873F843-F864 CarbonylContact C-O 3.51Å; F843-F864 WeakPolarHBondContact CA-O 3.3Å; F843-F864 WeakPolarHBondContact CB-O 3.33Å; V844-F864 HydrophobicContact CG2-CB 4.2Å; V844-F864 PolarHBondContact N-O 2.67Å; V844-F864 PolarHBondContact O-N 2.86Å; K846-F864 HydrophobicContact CB-CE2 3.98Å; K846-F864 HydrophobicContact CD-CE2 4.26Å; K846-F864 HydrophobicContact CG-CD2 4.36Å; K846-F864 HydrophobicContact CG-CE2 4.02Å; K862-F864 HydrophobicContact CB-CD2 4.42Å; K862-F864 HydrophobicContact CB-CE2 3.5Å; K862-F864 VanDerWaalsContact CB-CE2 3.5Å; K862-F864 HydrophobicContact CB-CZ 3.59Å; K862-F864 HydrophobicContact CD-CZ 4.21Å; K862-F864 HydrophobicContact CG-CZ 4.48Å; F864-A866 PolarHBondContact O-N 2.59Å; F864-R871 WeakPolarHBondContact CD1-O 3.13Å; F864-H872 CarbonylContact C-O 3.49Å; F864-H872 WeakPolarHBondContact CA-O 3.38Å; F864-D873 HydrophobicContact CD1-CB 4.29Å; F864-D873 HydrophobicContact CE1-CB 4.33Å
865C91.4Very high82.5Confident2 Ų239.9 Ų39.91%0.01420%0.199CC..EExtended strand (participates in β ladder)trans-49.9126172.4-175.30000111.5I867 C870 H872 W874C865-I867 PolarHBondContact O-N 2.88Å; C865-C870 HydrophobicContact CB-CB 4.35Å; C865-H872 HydrophobicContact CB-CB 4.34Å; C865-H872 PolarHBondContact N-O 3.15Å; C865-W874 HydrophobicContact CB-CD2 4.42Å; C865-W874 HydrophobicContact CB-CZ2 3.72Å
866A90.9Very high83.9Confident30 Ų3036.1 Ų36.125%0.24818%0.179CC..SBendtrans-67.7-19.7-175.700000114.3R842 V844 F864 Q868R842-A866 VanDerWaalsContact C-CB 3.44Å; R842-A866 VanDerWaalsContact O-CB 3.28Å; R842-A866 WeakPolarHBondContact O-CB 3.2Å; R842-A866 PolarHBondContact O-N 2.87Å; V844-A866 HydrophobicContact CG1-CB 4.06Å; F864-A866 PolarHBondContact O-N 2.59Å; A866-Q868 PolarHBondContact O-N 3.48Å
867I84.8Confident85Confident90 Ų9035.9 Ų35.946%0.46217%0.174SC..SBendtrans-56.6115.4173.8-57.7-60.3000109A816 C865 N869 C870 R871A816-I867 HydrophobicContact CB-CG1 4Å; C865-I867 PolarHBondContact O-N 2.88Å; I867-N869 VanDerWaalsContact C-N 3.27Å; I867-N869 PolarHBondContact O-N 3.44Å; I867-N869 VanDerWaalsContact O-N 3.15Å; I867-C870 HydrophobicContact CB-CB 3.83Å; I867-C870 HydrophobicContact CG2-CB 3.97Å; I867-C870 WeakPolarHBondContact O-CA 3.27Å; I867-C870 VanDerWaalsContact O-CB 3.29Å; I867-C870 WeakPolarHBondContact O-CB 3.37Å; I867-C870 PolarHBondContact O-N 3.24Å; I867-R871 PolarHBondContact O-N 2.87Å
868Q74Confident85.5Confident145 Ų14535.6 Ų35.668%0.67817%0.173SC*.THydrogen-bonded Turntrans-54.8-40.7-167-66.8-177.8-10.600113.1A866 C870 R871A866-Q868 PolarHBondContact O-N 3.48Å; Q868-C870 VanDerWaalsContact C-N 3.27Å; Q868-C870 PolarHBondContact O-N 3.06Å; Q868-R871 WeakPolarHBondContact O-CG 3.42Å; Q868-R871 PolarHBondContact O-NE 2.82Å
869N70.7Confident85.8Confident80 Ų8037.2 Ų37.243%0.42818%0.18SC..THydrogen-bonded Turntrans-90.512.9-177.7-52.43.2000112.5R537 I867R537-N869 PolarHBondContact NH1-O 3.17Å; I867-N869 VanDerWaalsContact C-N 3.27Å; I867-N869 PolarHBondContact O-N 3.44Å; I867-N869 VanDerWaalsContact O-N 3.15Å
870C77.8Confident86.1Confident4 Ų438.2 Ų38.23%0.02718%0.184CC..THydrogen-bonded Turntrans-111.1-65.4177.3179.90000111.4K813 C814 C865 I867 Q868 H872K813-C870 WeakPolarHBondContact CD-O 3.35Å; K813-C870 PolarHBondContact NZ-O 2.97Å; C814-C870 HydrophobicContact CB-CB 4.24Å; C814-C870 PolarHBondContact SG-SG 3.47Å; C865-C870 HydrophobicContact CB-CB 4.35Å; I867-C870 HydrophobicContact CB-CB 3.83Å; I867-C870 HydrophobicContact CG2-CB 3.97Å; I867-C870 WeakPolarHBondContact O-CA 3.27Å; I867-C870 VanDerWaalsContact O-CB 3.29Å; I867-C870 WeakPolarHBondContact O-CB 3.37Å; I867-C870 PolarHBondContact O-N 3.24Å; Q868-C870 VanDerWaalsContact C-N 3.27Å; Q868-C870 PolarHBondContact O-N 3.06Å; C870-H872 PolarHBondContact O-N 2.84Å; C870-H872 VanDerWaalsContact O-N 3.09Å
871R82.5Confident86Confident114 Ų11439.4 Ų39.443%0.4319%0.189SC..  trans46.932.5-177.2-64.2174.2178.4-176.8-0.5114.6A578 F864 I867 Q868A578-R871 PolarHBondContact O-NH1 2.9Å; F864-R871 WeakPolarHBondContact CD1-O 3.13Å; I867-R871 PolarHBondContact O-N 2.87Å; Q868-R871 WeakPolarHBondContact O-CG 3.42Å; Q868-R871 PolarHBondContact O-NE 2.82Å
872H85.3Confident85.8Confident32 Ų3243.9 Ų43.915%0.14822%0.216CC..  trans-70.4132.2-178.7-172.471.3000112K813 F864 C865 C870 W874K813-H872 HydrophobicContact CB-CB 3.78Å; K813-H872 HydrophobicContact CD-CB 4.34Å; F864-H872 CarbonylContact C-O 3.49Å; F864-H872 WeakPolarHBondContact CA-O 3.38Å; C865-H872 HydrophobicContact CB-CB 4.34Å; C865-H872 PolarHBondContact N-O 3.15Å; C870-H872 PolarHBondContact O-N 2.84Å; C870-H872 VanDerWaalsContact O-N 3.09Å; H872-W874 VanDerWaalsContact O-CD1 3.28Å; H872-W874 PolarHBondContact O-N 3.45Å
873D87.5Confident85.8Confident33 Ų3345 Ų4518%0.17622%0.221CC..EExtended strand (participates in β ladder)trans-60.1111.4178.2175.227.6000111.5K862 F864 G875 K889 S892K862-D873 WeakPolarHBondContact CE-OD1 3.26Å; K862-D873 IonicContact NZ-OD1 2.67Å; K862-D873 PolarHBondContact NZ-OD1 3.18Å; K862-D873 IonicContact NZ-OD2 3.38Å; K862-D873 PolarHBondContact NZ-OD2 2.94Å; F864-D873 HydrophobicContact CD1-CB 4.29Å; F864-D873 HydrophobicContact CE1-CB 4.33Å; D873-G875 PolarHBondContact OD1-N 3.27Å; D873-K889 WeakPolarHBondContact OD2-CE 3.39Å; D873-K889 IonicContact OD2-NZ 3.91Å; D873-K889 PolarHBondContact OD2-NZ 3.4Å; D873-S892 VanDerWaalsContact O-CB 3.22Å; D873-S892 WeakPolarHBondContact O-CB 3.41Å; D873-S892 PolarHBondContact O-OG 3.41Å
874W92.9Very high85.7Confident2 Ų250.7 Ų50.71%0.00825%0.247CC..EExtended strand (participates in β ladder)trans-96.9-12.9-179.9-80.38.2000113.4C811 A818 F839 R842 F843 I863 C865 H872 K889 F893C811-W874 HydrophobicContact CB-CZ2 3.92Å; C811-W874 PolarHBondContact SG-NE1 3.47Å; A818-W874 HydrophobicContact CB-CH2 3.68Å; A818-W874 HydrophobicContact CB-CZ2 4.07Å; A818-W874 HydrophobicContact CB-CZ3 4.06Å; F839-W874 HydrophobicContact CE2-CE3 4.25Å; F839-W874 AromaticContact CE2-CZ3 3.8Å; F839-W874 HydrophobicContact CE2-CZ3 3.8Å; F839-W874 HydrophobicContact CZ-CE3 4.04Å; F839-W874 HydrophobicContact CZ-CZ3 4.03Å; R842-W874 HydrophobicContact CB-CH2 4.15Å; R842-W874 HydrophobicContact CB-CZ3 4.14Å; R842-W874 VanDerWaalsContact O-CH2 3.26Å; R842-W874 WeakPolarHBondContact O-CH2 3.4Å; R842-W874 VanDerWaalsContact O-CZ3 3.32Å; R842-W874 WeakPolarHBondContact O-CZ3 3.21Å; F843-W874 HydrophobicContact CB-CE3 3.87Å; F843-W874 HydrophobicContact CB-CZ3 4.04Å; I863-W874 HydrophobicContact CD1-CB 4.31Å; I863-W874 HydrophobicContact CG1-CB 4.07Å; I863-W874 PolarHBondContact O-N 2.8Å; C865-W874 HydrophobicContact CB-CD2 4.42Å; C865-W874 HydrophobicContact CB-CZ2 3.72Å; H872-W874 VanDerWaalsContact O-CD1 3.28Å; H872-W874 PolarHBondContact O-N 3.45Å; W874-K889 PolarHBondContact O-N 3.26Å; W874-F893 HydrophobicContact CB-CE2 4.25Å; W874-F893 HydrophobicContact CB-CZ 3.74Å; W874-F893 AromaticContact CD1-CZ 3.9Å; W874-F893 AromaticContact CD2-CE1 3.62Å; W874-F893 HydrophobicContact CD2-CE1 3.62Å; W874-F893 AromaticContact CD2-CZ 3.53Å; W874-F893 HydrophobicContact CD2-CZ 3.53Å; W874-F893 AromaticContact CE2-CE1 3.67Å; W874-F893 HydrophobicContact CE3-CE1 4.02Å; W874-F893 AromaticContact CE3-CZ 3.91Å; W874-F893 HydrophobicContact CE3-CZ 3.91Å; W874-F893 AromaticContact CG-CE1 3.91Å; W874-F893 HydrophobicContact CG-CE1 3.91Å; W874-F893 HydrophobicContact CG-CE2 4.27Å; W874-F893 AromaticContact CG-CZ 3.45Å; W874-F893 HydrophobicContact CG-CZ 3.45Å; W874-F893 VanDerWaalsContact CG-CZ 3.45Å; W874-F893 HydrophobicContact CZ2-CE1 4.15Å; W874-F893 HydrophobicContact CZ3-CE1 4.45Å; W874-F893 AromaticContact NE1-CE1 3.91Å
875G90.3Very high85.6Confident4 Ų449 Ų494%0.04124%0.24CC..EExtended strand (participates in β ladder)trans136.7-132-174.600000112.1I863 D873I863-G875 PolarHBondContact N-O 3.33Å; I863-G875 VanDerWaalsContact N-O 3.14Å; D873-G875 PolarHBondContact OD1-N 3.27Å
876I90.2Very high85.7Confident11 Ų1149.3 Ų49.36%0.05624%0.242CC..EExtended strand (participates in β ladder)trans-134.2151.3-169.756.5-178.1000111.4K859 A861 V878 V887K859-I876 HydrophobicContact CD-CB 4.43Å; K859-I876 HydrophobicContact CD-CD1 4.18Å; K859-I876 HydrophobicContact CD-CG2 3.94Å; K859-I876 HydrophobicContact CG-CB 4.08Å; K859-I876 HydrophobicContact CG-CD1 3.87Å; K859-I876 HydrophobicContact CG-CG1 4.46Å; K859-I876 HydrophobicContact CG-CG2 4.14Å; A861-I876 CarbonylContact O-C 3.11Å; A861-I876 WeakPolarHBondContact O-CA 3.43Å; I876-V878 HydrophobicContact CB-CG1 4.46Å; I876-V878 HydrophobicContact CD1-CG1 3.57Å; I876-V878 HydrophobicContact CG1-CG1 3.91Å; I876-V887 HydrophobicContact CD1-CB 4.08Å; I876-V887 HydrophobicContact CD1-CG1 4.09Å; I876-V887 HydrophobicContact CG1-CB 3.83Å; I876-V887 HydrophobicContact CG1-CG1 4.19Å; I876-V887 WeakPolarHBondContact CG1-O 3.37Å; I876-V887 PolarHBondContact N-O 3.11Å; I876-V887 PolarHBondContact O-N 3.44Å
877H90.2Very high85.8Confident26 Ų2648.4 Ų48.412%0.1223%0.233CC..EExtended strand (participates in β ladder)trans-95.1128.1157.7-149.496.3000106.6F843 K860 A861 I863 I885F843-H877 AromaticContact CE2-ND1 3.63Å; F843-H877 AromaticContact CZ-CE1 3.81Å; F843-H877 AromaticContact CZ-ND1 3.56Å; K860-H877 PolarHBondContact N-O 3.3Å; A861-H877 HydrophobicContact CB-CB 3.86Å; A861-H877 PolarHBondContact N-O 3.16Å; A861-H877 PolarHBondContact O-N 2.93Å; I863-H877 HydrophobicContact CG2-CB 3.83Å; H877-I885 PolarHBondContact NE2-N 3.38Å
878V88.1Confident86.3Confident2 Ų244.3 Ų44.31%0.01221%0.212CC..EExtended strand (participates in β ladder)trans-116.3164.4172.5-60.30000111.1F857 E858 K859 I876 E884 I885 V887F857-V878 HydrophobicContact CD1-CB 4.24Å; F857-V878 HydrophobicContact CD1-CG2 3.77Å; F857-V878 HydrophobicContact CE1-CG2 4.18Å; E858-V878 CarbonylContact O-C 3.57Å; E858-V878 VanDerWaalsContact O-C 3.27Å; E858-V878 WeakPolarHBondContact O-CA 3.43Å; K859-V878 HydrophobicContact CG-CG1 3.82Å; I876-V878 HydrophobicContact CB-CG1 4.46Å; I876-V878 HydrophobicContact CD1-CG1 3.57Å; I876-V878 HydrophobicContact CG1-CG1 3.91Å; V878-E884 CarbonylContact O-C 3.56Å; V878-E884 WeakPolarHBondContact O-CA 3.32Å; V878-I885 HydrophobicContact CG2-CD1 4.39Å; V878-I885 HydrophobicContact CG2-CG1 3.72Å; V878-I885 WeakPolarHBondContact CG2-O 3.29Å; V878-I885 PolarHBondContact N-O 2.98Å; V878-I885 PolarHBondContact O-N 3.03Å; V878-V887 HydrophobicContact CG2-CB 4.28Å; V878-V887 HydrophobicContact CG2-CG2 3.59Å
879K86.9Confident87.1Confident45 Ų4539.5 Ų39.520%0.19619%0.189CC..EExtended strand (participates in β ladder)trans-104.8149143159.9-151.7-150.5174.40110.6E196 F857 E858 K881 F883 E884E196-K879 HydrophobicContact CB-CD 4.27Å; E196-K879 HydrophobicContact CG-CD 3.51Å; E196-K879 WeakPolarHBondContact OE2-CB 3.42Å; E196-K879 WeakPolarHBondContact OE2-CD 3.23Å; E196-K879 WeakPolarHBondContact OE2-CG 3.36Å; F857-K879 CarbonylContact C-O 3.55Å; F857-K879 WeakPolarHBondContact CA-O 3.37Å; E858-K879 WeakPolarHBondContact CA-O 3.41Å; E858-K879 PolarHBondContact N-O 2.95Å; E858-K879 PolarHBondContact O-N 3.36Å; K879-K881 WeakPolarHBondContact CE-O 3.26Å; K879-F883 CarbonylContact C-O 3.59Å; K879-F883 WeakPolarHBondContact CA-O 3.3Å; K879-F883 WeakPolarHBondContact CB-O 3.29Å; K879-F883 WeakPolarHBondContact CG-O 3.41Å; K879-E884 HydrophobicContact CB-CB 4.42Å; K879-E884 HydrophobicContact CB-CG 3.66Å; K879-E884 HydrophobicContact CG-CG 4.37Å
880Y84.3Confident88.2Confident21 Ų2135.8 Ų35.88%0.08217%0.169CC..EExtended strand (participates in β ladder)trans-125.9110.1-179.4171.1-112.1000107.5V827 E828 S856 F857 T882 F883 I885 F919V827-Y880 HydrophobicContact CG1-CD1 3.83Å; V827-Y880 HydrophobicContact CG1-CD2 3.84Å; V827-Y880 HydrophobicContact CG1-CE1 3.46Å; V827-Y880 VanDerWaalsContact CG1-CE1 3.46Å; V827-Y880 HydrophobicContact CG1-CE2 3.48Å; V827-Y880 VanDerWaalsContact CG1-CE2 3.48Å; V827-Y880 HydrophobicContact CG1-CG 3.99Å; E828-Y880 HydrophobicContact CG-CE2 4.24Å; E828-Y880 WeakPolarHBondContact OE1-CE2 3.38Å; E828-Y880 PolarHBondContact OE1-OH 2.95Å; E828-Y880 VanDerWaalsContact OE1-OH 3.05Å; S856-Y880 VanDerWaalsContact CB-CE2 3.47Å; S856-Y880 WeakPolarHBondContact O-CA 3.47Å; F857-Y880 AromaticContact CD1-CD2 3.84Å; F857-Y880 HydrophobicContact CD1-CD2 3.84Å; F857-Y880 HydrophobicContact CD1-CG 4.33Å; F857-Y880 HydrophobicContact CD2-CD2 4.41Å; F857-Y880 AromaticContact CE1-CD2 3.41Å; F857-Y880 HydrophobicContact CE1-CD2 3.41Å; F857-Y880 VanDerWaalsContact CE1-CD2 3.41Å; F857-Y880 HydrophobicContact CE1-CE2 4.23Å; F857-Y880 AromaticContact CE1-CG 3.85Å; F857-Y880 HydrophobicContact CE1-CG 3.85Å; F857-Y880 HydrophobicContact CE2-CD2 4.01Å; F857-Y880 HydrophobicContact CE2-CE2 4.18Å; F857-Y880 HydrophobicContact CG-CD2 4.35Å; F857-Y880 AromaticContact CZ-CD2 3.51Å; F857-Y880 HydrophobicContact CZ-CD2 3.51Å; F857-Y880 AromaticContact CZ-CE2 3.86Å; F857-Y880 HydrophobicContact CZ-CE2 3.86Å; F857-Y880 HydrophobicContact CZ-CG 4.3Å; Y880-T882 VanDerWaalsContact C-N 3.35Å; Y880-T882 PolarHBondContact O-N 2.89Å; Y880-F883 PolarHBondContact N-O 2.64Å; Y880-F883 PolarHBondContact O-N 3.47Å; Y880-I885 HydrophobicContact CD1-CD1 4.34Å; Y880-I885 HydrophobicContact CG-CD1 4.25Å; Y880-F919 HydrophobicContact CD1-CD1 4.36Å; Y880-F919 AromaticContact CD1-CE1 3.95Å; Y880-F919 HydrophobicContact CD1-CE1 3.95Å; Y880-F919 HydrophobicContact CD1-CZ 4.49Å; Y880-F919 AromaticContact CE1-CD1 3.91Å; Y880-F919 HydrophobicContact CE1-CD1 3.91Å; Y880-F919 AromaticContact CE1-CE1 3.82Å; Y880-F919 HydrophobicContact CE1-CE1 3.82Å
881K82.1Confident88.7Confident119 Ų11939.7 Ų39.752%0.51719%0.187SC..THydrogen-bonded Turntrans57.9-87.3-172.5-65.1157.7-178.31580112.1E828 S856 K879E828-K881 IonicContact OE1-NZ 2.7Å; E828-K881 PolarHBondContact OE1-NZ 3.2Å; S856-K881 PolarHBondContact O-N 3.47Å; K879-K881 WeakPolarHBondContact CE-O 3.26Å
882T82.9Confident89Confident104 Ų10434.4 Ų34.464%0.63817%0.168SC*.THydrogen-bonded Turntrans-114.1-12.8178.946.70000114.3Y880Y880-T882 VanDerWaalsContact C-N 3.35Å; Y880-T882 PolarHBondContact O-N 2.89Å
883F85.9Confident89.4Confident43 Ų4332.9 Ų32.919%0.18916%0.161CC..EExtended strand (participates in β ladder)trans-107.6124-168.1-54.7-79.6000112.9K879 Y880 I885 F919 P921 M924K879-F883 CarbonylContact C-O 3.59Å; K879-F883 WeakPolarHBondContact CA-O 3.3Å; K879-F883 WeakPolarHBondContact CB-O 3.29Å; K879-F883 WeakPolarHBondContact CG-O 3.41Å; Y880-F883 PolarHBondContact N-O 2.64Å; Y880-F883 PolarHBondContact O-N 3.47Å; F883-I885 HydrophobicContact CB-CG2 4.02Å; F883-I885 PolarHBondContact O-N 3.22Å; F883-F919 HydrophobicContact CD2-CE1 4.42Å; F883-F919 HydrophobicContact CD2-CZ 4.2Å; F883-P921 HydrophobicContact CE2-CB 3.83Å; F883-P921 HydrophobicContact CE2-CG 4.4Å; F883-P921 HydrophobicContact CZ-CB 3.83Å; F883-M924 HydrophobicContact CB-CE 4.28Å; F883-M924 HydrophobicContact CD1-CB 3.53Å; F883-M924 HydrophobicContact CD1-CE 4.34Å; F883-M924 HydrophobicContact CD1-CG 3.98Å; F883-M924 HydrophobicContact CE1-CB 3.55Å; F883-M924 HydrophobicContact CE1-CG 4.37Å; F883-M924 HydrophobicContact CG-CB 4.31Å; F883-M924 HydrophobicContact CG-CG 4.3Å; F883-M924 HydrophobicContact CZ-CB 4.35Å
884E89.1Confident89.7Confident119 Ų11931.3 Ų31.356%0.55615%0.153SC*.EExtended strand (participates in β ladder)trans-74.5118.4166.6-77.3174.7-140.200109.8V878 K879V878-E884 CarbonylContact O-C 3.56Å; V878-E884 WeakPolarHBondContact O-CA 3.32Å; K879-E884 HydrophobicContact CB-CB 4.42Å; K879-E884 HydrophobicContact CB-CG 3.66Å; K879-E884 HydrophobicContact CG-CG 4.37Å
885I90.9Very high89.7Confident2 Ų231.5 Ų31.51%0.0115%0.154CC..EExtended strand (participates in β ladder)trans-140.3141.4-172.762.3173.8000112.5V827 T833 H877 V878 Y880 F883 M924V827-I885 HydrophobicContact CG2-CD1 4.24Å; T833-I885 HydrophobicContact CG2-CD1 4.29Å; H877-I885 PolarHBondContact NE2-N 3.38Å; V878-I885 HydrophobicContact CG2-CD1 4.39Å; V878-I885 HydrophobicContact CG2-CG1 3.72Å; V878-I885 WeakPolarHBondContact CG2-O 3.29Å; V878-I885 PolarHBondContact N-O 2.98Å; V878-I885 PolarHBondContact O-N 3.03Å; Y880-I885 HydrophobicContact CD1-CD1 4.34Å; Y880-I885 HydrophobicContact CG-CD1 4.25Å; F883-I885 HydrophobicContact CB-CG2 4.02Å; F883-I885 PolarHBondContact O-N 3.22Å; I885-M924 HydrophobicContact CG2-CE 3.82Å; I885-M924 HydrophobicContact CG2-SD 4.17Å
886P93.3Very high89.8Confident9 Ų931.9 Ų31.96%0.05816%0.155CC..EExtended strand (participates in β ladder)trans-81.2120.7174.831.4-31.5000111.6T833 F839 F843 I863T833-P886 VanDerWaalsContact CA-O 3.29Å; T833-P886 WeakPolarHBondContact CA-O 3.33Å; T833-P886 PolarHBondContact OG1-O 3.39Å; T833-P886 VanDerWaalsContact OG1-O 3.07Å; F839-P886 HydrophobicContact CD1-CB 4.43Å; F839-P886 HydrophobicContact CD1-CG 3.72Å; F839-P886 HydrophobicContact CE1-CB 3.88Å; F839-P886 HydrophobicContact CE1-CG 3.63Å; F843-P886 HydrophobicContact CE1-CB 3.79Å; F843-P886 HydrophobicContact CE1-CG 3.89Å; F843-P886 HydrophobicContact CZ-CB 3.95Å; F843-P886 HydrophobicContact CZ-CG 4.25Å; I863-P886 HydrophobicContact CD1-CB 3.79Å
887V92.9Very high89.8Confident11 Ų1132.4 Ų32.47%0.06716%0.157CC..EExtended strand (participates in β ladder)trans-100.1118.3172.9167.80000110.5H831 Y832 I876 V878H831-V887 HydrophobicContact CB-CG1 4.3Å; Y832-V887 WeakPolarHBondContact O-CA 3.45Å; I876-V887 HydrophobicContact CD1-CB 4.08Å; I876-V887 HydrophobicContact CD1-CG1 4.09Å; I876-V887 HydrophobicContact CG1-CB 3.83Å; I876-V887 HydrophobicContact CG1-CG1 4.19Å; I876-V887 WeakPolarHBondContact CG1-O 3.37Å; I876-V887 PolarHBondContact N-O 3.11Å; I876-V887 PolarHBondContact O-N 3.44Å; V878-V887 HydrophobicContact CG2-CB 4.28Å; V878-V887 HydrophobicContact CG2-CG2 3.59Å
888I94.3Very high89.8Confident4 Ų435 Ų352%0.02117%0.172CC..EExtended strand (participates in β ladder)trans-102.5149.2-172.550156.8000112.8L809 Y832 V834 F839 I863 F893 W909L809-I888 HydrophobicContact CD2-CD1 3.9Å; Y832-I888 WeakPolarHBondContact O-CG1 3.5Å; Y832-I888 PolarHBondContact O-N 3.31Å; V834-I888 HydrophobicContact CG2-CD1 3.43Å; V834-I888 VanDerWaalsContact CG2-CD1 3.43Å; V834-I888 HydrophobicContact CG2-CG1 3.93Å; F839-I888 HydrophobicContact CE1-CG2 4.37Å; F839-I888 HydrophobicContact CZ-CG2 3.96Å; I863-I888 HydrophobicContact CD1-CG2 3.93Å; I888-F893 HydrophobicContact CB-CE2 3.86Å; I888-F893 HydrophobicContact CB-CZ 4.3Å; I888-F893 HydrophobicContact CD1-CE2 4.48Å; I888-F893 HydrophobicContact CG2-CE2 4.03Å; I888-F893 HydrophobicContact CG2-CZ 3.97Å; I888-W909 HydrophobicContact CD1-CH2 3.93Å; I888-W909 HydrophobicContact CD1-CZ2 3.69Å; I888-W909 HydrophobicContact CG1-CZ2 3.86Å; I888-W909 PolarHBondContact O-NE1 3.23Å
889K91.9Very high89.6Confident44 Ų4439.4 Ų39.419%0.19121%0.208CC..  trans-112.1120.1177.157.1-177-176.3148.20110.8D873 W874 E891 S892 F893D873-K889 WeakPolarHBondContact OD2-CE 3.39Å; D873-K889 IonicContact OD2-NZ 3.91Å; D873-K889 PolarHBondContact OD2-NZ 3.4Å; W874-K889 PolarHBondContact O-N 3.26Å; K889-E891 HydrophobicContact CB-CG 4.13Å; K889-E891 HydrophobicContact CD-CG 3.95Å; K889-E891 WeakPolarHBondContact CD-OE1 3.45Å; K889-E891 WeakPolarHBondContact CE-OE1 3.15Å; K889-E891 HydrophobicContact CG-CG 3.94Å; K889-E891 IonicContact NZ-OE1 3.08Å; K889-E891 PolarHBondContact NZ-OE1 3.02Å; K889-E891 PolarHBondContact O-N 2.74Å; K889-S892 VanDerWaalsContact CE-OG 3.25Å; K889-S892 WeakPolarHBondContact CE-OG 3.28Å; K889-S892 PolarHBondContact O-N 3.44Å; K889-F893 VanDerWaalsContact O-CD2 3.3Å; K889-F893 WeakPolarHBondContact O-CD2 3.5Å
890I92.7Very high89.7Confident2 Ų241.2 Ų41.21%0.0123%0.226CC..G310 helixtrans-58.8-22.7-174.4-164.763.7000113.8L809 S892 F893 V895 H906 K908 W909 F912L809-I890 HydrophobicContact CD2-CD1 4.08Å; L809-I890 HydrophobicContact CG-CD1 4.43Å; I890-S892 PolarHBondContact O-N 2.7Å; I890-S892 VanDerWaalsContact O-N 3.14Å; I890-F893 HydrophobicContact CD1-CB 4.38Å; I890-F893 PolarHBondContact O-N 3.22Å; I890-V895 HydrophobicContact CD1-CG2 3.9Å; I890-H906 HydrophobicContact CG1-CB 4.02Å; I890-H906 HydrophobicContact CG2-CB 4.22Å; I890-K908 VanDerWaalsContact CG2-C 3.43Å; I890-W909 HydrophobicContact CB-CD2 3.73Å; I890-W909 HydrophobicContact CB-CE3 4.05Å; I890-W909 HydrophobicContact CB-CG 4.2Å; I890-W909 HydrophobicContact CB-CH2 4.35Å; I890-W909 HydrophobicContact CB-CZ2 4.02Å; I890-W909 HydrophobicContact CB-CZ3 4.36Å; I890-W909 HydrophobicContact CD1-CE3 4.37Å; I890-W909 HydrophobicContact CD1-CH2 3.92Å; I890-W909 HydrophobicContact CD1-CZ2 4.34Å; I890-W909 HydrophobicContact CD1-CZ3 3.93Å; I890-W909 HydrophobicContact CG1-CE3 4.34Å; I890-W909 HydrophobicContact CG1-CZ3 4.4Å; I890-W909 HydrophobicContact CG2-CD2 4.07Å; I890-W909 HydrophobicContact CG2-CG 4.01Å; I890-F912 HydrophobicContact CD1-CD1 4.22Å; I890-F912 HydrophobicContact CG1-CD1 4.46Å
891E87.9Confident89.7Confident86 Ų8641.3 Ų41.340%0.40223%0.233SC..G310 helixtrans-59.7-22.1175.461.6156.9-156.300114.7K889 R905K889-E891 HydrophobicContact CB-CG 4.13Å; K889-E891 HydrophobicContact CD-CG 3.95Å; K889-E891 WeakPolarHBondContact CD-OE1 3.45Å; K889-E891 WeakPolarHBondContact CE-OE1 3.15Å; K889-E891 HydrophobicContact CG-CG 3.94Å; K889-E891 IonicContact NZ-OE1 3.08Å; K889-E891 PolarHBondContact NZ-OE1 3.02Å; K889-E891 PolarHBondContact O-N 2.74Å; E891-R905 PolarHBondContact O-NH2 2.98Å
892S89.9Confident89.9Confident4 Ų437.5 Ų37.53%0.02822%0.224CC..G310 helixtrans-90.6-1178.5-65.30000113.9G812 D873 K889 I890G812-S892 WeakPolarHBondContact CA-O 3.47Å; G812-S892 PolarHBondContact N-O 3.11Å; D873-S892 VanDerWaalsContact O-CB 3.22Å; D873-S892 WeakPolarHBondContact O-CB 3.41Å; D873-S892 PolarHBondContact O-OG 3.41Å; K889-S892 VanDerWaalsContact CE-OG 3.25Å; K889-S892 WeakPolarHBondContact CE-OG 3.28Å; K889-S892 PolarHBondContact O-N 3.44Å; I890-S892 PolarHBondContact O-N 2.7Å; I890-S892 VanDerWaalsContact O-N 3.14Å
893F93.7Very high90.2Very high0 Ų033.2 Ų33.20%020%0.197CC..EExtended strand (participates in β ladder)trans-126.6160.6-175-60.3-86.8000112L809 L810 A818 W874 I888 K889 I890L809-F893 HydrophobicContact CB-CB 4.32Å; L809-F893 HydrophobicContact CB-CD1 4.13Å; L809-F893 HydrophobicContact CB-CG 4.37Å; L809-F893 HydrophobicContact CD2-CB 4.35Å; L809-F893 HydrophobicContact CD2-CG 4.23Å; L809-F893 HydrophobicContact CG-CB 4.42Å; L810-F893 CarbonylContact O-C 3.57Å; L810-F893 WeakPolarHBondContact O-CA 3.32Å; A818-F893 HydrophobicContact CB-CD1 3.9Å; A818-F893 HydrophobicContact CB-CE1 3.52Å; W874-F893 HydrophobicContact CB-CE2 4.25Å; W874-F893 HydrophobicContact CB-CZ 3.74Å; W874-F893 AromaticContact CD1-CZ 3.9Å; W874-F893 AromaticContact CD2-CE1 3.62Å; W874-F893 HydrophobicContact CD2-CE1 3.62Å; W874-F893 AromaticContact CD2-CZ 3.53Å; W874-F893 HydrophobicContact CD2-CZ 3.53Å; W874-F893 AromaticContact CE2-CE1 3.67Å; W874-F893 HydrophobicContact CE3-CE1 4.02Å; W874-F893 AromaticContact CE3-CZ 3.91Å; W874-F893 HydrophobicContact CE3-CZ 3.91Å; W874-F893 AromaticContact CG-CE1 3.91Å; W874-F893 HydrophobicContact CG-CE1 3.91Å; W874-F893 HydrophobicContact CG-CE2 4.27Å; W874-F893 AromaticContact CG-CZ 3.45Å; W874-F893 HydrophobicContact CG-CZ 3.45Å; W874-F893 VanDerWaalsContact CG-CZ 3.45Å; W874-F893 HydrophobicContact CZ2-CE1 4.15Å; W874-F893 HydrophobicContact CZ3-CE1 4.45Å; W874-F893 AromaticContact NE1-CE1 3.91Å; I888-F893 HydrophobicContact CB-CE2 3.86Å; I888-F893 HydrophobicContact CB-CZ 4.3Å; I888-F893 HydrophobicContact CD1-CE2 4.48Å; I888-F893 HydrophobicContact CG2-CE2 4.03Å; I888-F893 HydrophobicContact CG2-CZ 3.97Å; K889-F893 VanDerWaalsContact O-CD2 3.3Å; K889-F893 WeakPolarHBondContact O-CD2 3.5Å; I890-F893 HydrophobicContact CD1-CB 4.38Å; I890-F893 PolarHBondContact O-N 3.22Å
894V92.4Very high90.3Very high0 Ų035.3 Ų35.30%021%0.21CC..EExtended strand (participates in β ladder)trans-113.5129.9171.2-1700000106.7M522 L809 L810 K815 Q903M522-V894 HydrophobicContact CB-CG2 4.21Å; M522-V894 HydrophobicContact CE-CG2 4.15Å; M522-V894 WeakPolarHBondContact O-CG1 3.35Å; M522-V894 WeakPolarHBondContact O-CG2 3.36Å; L809-V894 WeakPolarHBondContact CA-O 3.38Å; L810-V894 HydrophobicContact CB-CB 4.28Å; L810-V894 PolarHBondContact N-O 3.09Å; L810-V894 PolarHBondContact O-N 3.28Å; K815-V894 HydrophobicContact CD-CG2 4.36Å; V894-Q903 HydrophobicContact CG1-CB 3.69Å; V894-Q903 HydrophobicContact CG1-CG 3.94Å
895V93.5Very high90.1Very high5 Ų532.9 Ų32.93%0.0320%0.196CC..EExtended strand (participates in β ladder)trans-88.7111.5175.7-179.20000107.8K807 K808 I890 Q903 N904 F912K807-V895 HydrophobicContact CB-CG1 3.73Å; K807-V895 HydrophobicContact CD-CG1 4.07Å; K807-V895 HydrophobicContact CG-CG1 4.12Å; K808-V895 CarbonylContact O-C 3.54Å; K808-V895 WeakPolarHBondContact O-CA 3.4Å; I890-V895 HydrophobicContact CD1-CG2 3.9Å; V895-Q903 CarbonylContact O-C 3.48Å; V895-Q903 WeakPolarHBondContact O-CA 3.49Å; V895-N904 PolarHBondContact N-O 2.98Å; V895-N904 PolarHBondContact O-N 2.86Å; V895-F912 HydrophobicContact CB-CE2 4.39Å; V895-F912 HydrophobicContact CB-CZ 4.36Å; V895-F912 HydrophobicContact CG1-CE2 3.71Å; V895-F912 HydrophobicContact CG1-CZ 3.59Å; V895-F912 HydrophobicContact CG2-CD1 4.37Å; V895-F912 HydrophobicContact CG2-CD2 4.36Å; V895-F912 HydrophobicContact CG2-CE1 3.99Å; V895-F912 HydrophobicContact CG2-CE2 4.01Å; V895-F912 HydrophobicContact CG2-CZ 3.81Å
896E92.8Very high89.9Confident13 Ų1334.8 Ų34.86%0.06120%0.204CC..EExtended strand (participates in β ladder)trans-99.9124.8173.4-175.2175.7-87.700110.2K807 K808 L810 Q903K807-E896 WeakPolarHBondContact CA-O 3.48Å; K808-E896 HydrophobicContact CB-CB 4.25Å; K808-E896 WeakPolarHBondContact CD-OE2 3.46Å; K808-E896 WeakPolarHBondContact CE-OE2 3.43Å; K808-E896 PolarHBondContact N-O 3Å; K808-E896 IonicContact NZ-OE2 3.2Å; K808-E896 PolarHBondContact NZ-OE2 2.94Å; K808-E896 PolarHBondContact O-N 3.41Å; L810-E896 HydrophobicContact CD1-CB 3.92Å; L810-E896 HydrophobicContact CG-CB 4.2Å; E896-Q903 HydrophobicContact CB-CG 3.87Å; E896-Q903 HydrophobicContact CG-CG 3.91Å; E896-Q903 PolarHBondContact OE1-NE2 2.93Å
897D91.1Very high89.1Confident22 Ų2237.5 Ų37.512%0.11822%0.224CC..EExtended strand (participates in β ladder)trans-71.3134.2172.3-177.4-104.6000111.9K807 A899 S900 G901 A902K807-D897 IonicContact NZ-OD2 2.77Å; K807-D897 PolarHBondContact NZ-OD2 2.91Å; D897-A899 PolarHBondContact OD1-N 3.35Å; D897-S900 WeakPolarHBondContact CB-OG 3.46Å; D897-S900 WeakPolarHBondContact OD1-CB 3.45Å; D897-S900 PolarHBondContact OD1-N 3.04Å; D897-S900 PolarHBondContact OD1-OG 3.47Å; D897-G901 WeakPolarHBondContact O-CA 3.28Å; D897-G901 PolarHBondContact O-N 3.12Å; D897-A902 HydrophobicContact CB-CB 4.38Å; D897-A902 PolarHBondContact N-O 3.16Å
898I89.3Confident88.7Confident81 Ų8139.4 Ų39.442%0.41523%0.231SC..THydrogen-bonded Turntrans-73.7-33.9-171.9-65.4179.6000112.3N806 K808 Y820N806-I898 HydrophobicContact CB-CD1 4.22Å; N806-I898 WeakPolarHBondContact O-CD1 3.44Å; N806-I898 VanDerWaalsContact O-CG1 3.27Å; N806-I898 WeakPolarHBondContact O-CG1 3.49Å; K808-I898 HydrophobicContact CG-CG1 4.12Å; Y820-I898 HydrophobicContact CD1-CD1 3.85Å; Y820-I898 HydrophobicContact CE1-CD1 3.72Å
899A84.9Confident88.3Confident93 Ų9340.4 Ų40.477%0.76924%0.235SC*.THydrogen-bonded Turntrans-87.1-41-173.800000112.7D897D897-A899 PolarHBondContact OD1-N 3.35Å
900S87.1Confident87.7Confident84 Ų8445.1 Ų45.159%0.58726%0.255SS*.THydrogen-bonded Turntrans-97.5-15.7-178.3640000114.2D897 A902D897-S900 WeakPolarHBondContact CB-OG 3.46Å; D897-S900 WeakPolarHBondContact OD1-CB 3.45Å; D897-S900 PolarHBondContact OD1-N 3.04Å; D897-S900 PolarHBondContact OD1-OG 3.47Å; S900-A902 PolarHBondContact O-N 2.62Å; S900-A902 WeakPolarHBondContact OG-CB 3.33Å; S900-A902 PolarHBondContact OG-N 2.99Å
901G85Confident87.4Confident22 Ų2249 Ų4923%0.22728%0.276CS..  trans711.7-169.500000114.1Q525 D897 Q903Q525-G901 PolarHBondContact NE2-O 3.29Å; D897-G901 WeakPolarHBondContact O-CA 3.28Å; D897-G901 PolarHBondContact O-N 3.12Å; G901-Q903 PolarHBondContact O-N 2.68Å
902A87.5Confident87.4Confident40 Ų4045.1 Ų45.133%0.33126%0.258SS..  trans-65.3125.6-172.900000112.3D897 S900D897-A902 HydrophobicContact CB-CB 4.38Å; D897-A902 PolarHBondContact N-O 3.16Å; S900-A902 PolarHBondContact O-N 2.62Å; S900-A902 WeakPolarHBondContact OG-CB 3.33Å; S900-A902 PolarHBondContact OG-N 2.99Å
903Q88.4Confident87.1Confident14 Ų1452.6 Ų52.67%0.06529%0.285CS..EExtended strand (participates in β ladder)trans-100.4129.4-177.5-76.9179.22000111.7Q525 E532 V894 V895 E896 G901Q525-Q903 HydrophobicContact CG-CB 4.48Å; Q525-Q903 HydrophobicContact CG-CG 4.41Å; Q525-Q903 VanDerWaalsContact NE2-CB 3.33Å; E532-Q903 PolarHBondContact OE1-NE2 3.41Å; E532-Q903 VanDerWaalsContact OE1-NE2 3.14Å; V894-Q903 HydrophobicContact CG1-CB 3.69Å; V894-Q903 HydrophobicContact CG1-CG 3.94Å; V895-Q903 CarbonylContact O-C 3.48Å; V895-Q903 WeakPolarHBondContact O-CA 3.49Å; E896-Q903 HydrophobicContact CB-CG 3.87Å; E896-Q903 HydrophobicContact CG-CG 3.91Å; E896-Q903 PolarHBondContact OE1-NE2 2.93Å; G901-Q903 PolarHBondContact O-N 2.68Å
904N87.8Confident86.9Confident87 Ų8752.9 Ų52.947%0.46529%0.287SS..EExtended strand (participates in β ladder)trans-128.6149.7-178.4-72.8-84.6000111.2V895V895-N904 PolarHBondContact N-O 2.98Å; V895-N904 PolarHBondContact O-N 2.86Å
905R84.4Confident86.7Confident68 Ų6856.7 Ų56.726%0.25730%0.304SS..  trans-118.5128.6177.2-173.9-169.5176.4-72.9-12.8110.7M522 V523 E891 S907M522-R905 HydrophobicContact CE-CG 3.93Å; M522-R905 VanDerWaalsContact SD-CD 3.59Å; M522-R905 HydrophobicContact SD-CG 4.41Å; M522-R905 PolarHBondContact SD-NE 3.16Å; V523-R905 HydrophobicContact CG1-CB 4.01Å; E891-R905 PolarHBondContact O-NH2 2.98Å; R905-S907 PolarHBondContact NH1-OG 3.14Å
906H86.4Confident86.4Confident41 Ų4161 Ų6119%0.1932%0.32CS..  trans-113.5138.3172.8-61-87.9000110.5I890 D911 F912I890-H906 HydrophobicContact CG1-CB 4.02Å; I890-H906 HydrophobicContact CG2-CB 4.22Å; H906-D911 PolarHBondContact ND1-O 3.25Å; H906-F912 HydrophobicContact CB-CB 4.11Å; H906-F912 AromaticContact CD2-CD2 3.67Å; H906-F912 AromaticContact CD2-CG 3.89Å; H906-F912 AromaticContact CE1-CD2 3.95Å; H906-F912 AromaticContact NE2-CD2 3.43Å; H906-F912 WeakPolarHBondContact NE2-CD2 3.41Å
907S78.2Confident86.2Confident67 Ų6763.3 Ų63.347%0.46933%0.332SS..SBendtrans-84.4-26.3175.2-62.90000112.9R905R905-S907 PolarHBondContact NH1-OG 3.14Å
908K82.6Confident86.2Confident50 Ų5067.3 Ų67.322%0.21735%0.35CS..SBendtrans-140.2145.6177.5-55.7178.1179.7-101.20110.8D203 I890 K910 D911D203-K908 PolarHBondContact O-NZ 3.38Å; D203-K908 WeakPolarHBondContact OD2-CE 3.43Å; D203-K908 IonicContact OD2-NZ 2.75Å; D203-K908 PolarHBondContact OD2-NZ 3.41Å; I890-K908 VanDerWaalsContact CG2-C 3.43Å; K908-K910 HydrophobicContact CB-CG 4.18Å; K908-K910 HydrophobicContact CD-CD 4.42Å; K908-K910 PolarHBondContact O-N 3.21Å; K908-D911 WeakPolarHBondContact CB-OD2 3.31Å; K908-D911 WeakPolarHBondContact O-CB 3.19Å; K908-D911 PolarHBondContact O-N 3.25Å
909W86Confident86.2Confident26 Ų2664.6 Ų64.610%0.09834%0.336CS..G310 helixtrans-55.9-34.8179.3-78114.7000113.7L809 V824 Y832 I888 I890 D911 F912 F914 R916L809-W909 HydrophobicContact CD2-CH2 4.02Å; V824-W909 HydrophobicContact CG1-CH2 4.3Å; Y832-W909 VanDerWaalsContact CB-CE2 3.48Å; Y832-W909 AromaticContact CD1-CD2 3.61Å; Y832-W909 HydrophobicContact CD1-CD2 3.61Å; Y832-W909 AromaticContact CD1-CE2 3.99Å; Y832-W909 AromaticContact CD1-CE3 3.52Å; Y832-W909 HydrophobicContact CD1-CE3 3.52Å; Y832-W909 HydrophobicContact CD1-CG 4.14Å; Y832-W909 HydrophobicContact CD1-CH2 4.18Å; Y832-W909 HydrophobicContact CD1-CZ2 4.28Å; Y832-W909 AromaticContact CD1-CZ3 3.8Å; Y832-W909 HydrophobicContact CD1-CZ3 3.8Å; Y832-W909 HydrophobicContact CD2-CB 3.79Å; Y832-W909 AromaticContact CD2-CD1 3.36Å; Y832-W909 AromaticContact CD2-CD2 3.66Å; Y832-W909 HydrophobicContact CD2-CD2 3.66Å; Y832-W909 AromaticContact CD2-CE2 3.88Å; Y832-W909 HydrophobicContact CD2-CE3 4.4Å; Y832-W909 AromaticContact CD2-CG 3.36Å; Y832-W909 HydrophobicContact CD2-CG 3.36Å; Y832-W909 AromaticContact CD2-NE1 3.67Å; Y832-W909 HydrophobicContact CE1-CB 4.21Å; Y832-W909 AromaticContact CE1-CD2 3.98Å; Y832-W909 HydrophobicContact CE1-CD2 3.98Å; Y832-W909 AromaticContact CE1-CE3 3.75Å; Y832-W909 HydrophobicContact CE1-CE3 3.75Å; Y832-W909 HydrophobicContact CE1-CG 4.23Å; Y832-W909 HydrophobicContact CE1-CZ3 4.34Å; Y832-W909 HydrophobicContact CE2-CB 3.38Å; Y832-W909 AromaticContact CE2-CD1 3.89Å; Y832-W909 HydrophobicContact CE2-CD2 4.08Å; Y832-W909 AromaticContact CE2-CG 3.54Å; Y832-W909 HydrophobicContact CE2-CG 3.54Å; Y832-W909 HydrophobicContact CG-CB 4.43Å; Y832-W909 AromaticContact CG-CD1 3.86Å; Y832-W909 AromaticContact CG-CD2 3.46Å; Y832-W909 HydrophobicContact CG-CD2 3.46Å; Y832-W909 VanDerWaalsContact CG-CD2 3.46Å; Y832-W909 AromaticContact CG-CE2 3.49Å; Y832-W909 VanDerWaalsContact CG-CE2 3.49Å; Y832-W909 AromaticContact CG-CE3 3.89Å; Y832-W909 HydrophobicContact CG-CE3 3.89Å; Y832-W909 AromaticContact CG-CG 3.74Å; Y832-W909 HydrophobicContact CG-CG 3.74Å; Y832-W909 HydrophobicContact CG-CH2 4.33Å; Y832-W909 AromaticContact CG-CZ2 3.97Å; Y832-W909 HydrophobicContact CG-CZ2 3.97Å; Y832-W909 HydrophobicContact CG-CZ3 4.29Å; Y832-W909 AromaticContact CG-NE1 3.72Å; Y832-W909 AromaticContact CZ-CG 3.99Å; I888-W909 HydrophobicContact CD1-CH2 3.93Å; I888-W909 HydrophobicContact CD1-CZ2 3.69Å; I888-W909 HydrophobicContact CG1-CZ2 3.86Å; I888-W909 PolarHBondContact O-NE1 3.23Å; I890-W909 HydrophobicContact CB-CD2 3.73Å; I890-W909 HydrophobicContact CB-CE3 4.05Å; I890-W909 HydrophobicContact CB-CG 4.2Å; I890-W909 HydrophobicContact CB-CH2 4.35Å; I890-W909 HydrophobicContact CB-CZ2 4.02Å; I890-W909 HydrophobicContact CB-CZ3 4.36Å; I890-W909 HydrophobicContact CD1-CE3 4.37Å; I890-W909 HydrophobicContact CD1-CH2 3.92Å; I890-W909 HydrophobicContact CD1-CZ2 4.34Å; I890-W909 HydrophobicContact CD1-CZ3 3.93Å; I890-W909 HydrophobicContact CG1-CE3 4.34Å; I890-W909 HydrophobicContact CG1-CZ3 4.4Å; I890-W909 HydrophobicContact CG2-CD2 4.07Å; I890-W909 HydrophobicContact CG2-CG 4.01Å; W909-D911 PolarHBondContact O-N 3.3Å; W909-F912 HydrophobicContact CE3-CD1 4.05Å; W909-F912 AromaticContact CZ3-CD1 3.89Å; W909-F912 HydrophobicContact CZ3-CD1 3.89Å; W909-F912 HydrophobicContact CZ3-CE1 4.28Å; W909-F912 PolarHBondContact O-N 3.27Å; W909-F912 VanDerWaalsContact O-N 3.16Å; W909-F914 AromaticContact CE3-CE1 3.83Å; W909-F914 HydrophobicContact CE3-CE1 3.83Å; W909-F914 HydrophobicContact CE3-CZ 4.17Å; W909-F914 AromaticContact CZ3-CE1 3.81Å; W909-F914 HydrophobicContact CZ3-CE1 3.81Å; W909-F914 AromaticContact CZ3-CZ 3.84Å; W909-F914 HydrophobicContact CZ3-CZ 3.84Å; W909-R916 PolarHBondContact O-NH2 3.4Å
910K81.3Confident86.3Confident143 Ų14364 Ų6462%0.62232%0.32SS*.G310 helixtrans-59.3-31.2177.679.4-174.9-172.6178.70113K908 R916K908-K910 HydrophobicContact CB-CG 4.18Å; K908-K910 HydrophobicContact CD-CD 4.42Å; K908-K910 PolarHBondContact O-N 3.21Å; K910-R916 PolarHBondContact O-NH2 3.11Å; K910-R916 VanDerWaalsContact O-NH2 3.15Å
911D84.4Confident86.1Confident82 Ų8263 Ų6344%0.43931%0.311SS..G310 helixtrans-86.4-15.7-176.6-50.1-42.6000111.8H906 K908 W909H906-D911 PolarHBondContact ND1-O 3.25Å; K908-D911 WeakPolarHBondContact CB-OD2 3.31Å; K908-D911 WeakPolarHBondContact O-CB 3.19Å; K908-D911 PolarHBondContact O-N 3.25Å; W909-D911 PolarHBondContact O-N 3.3Å
912F88.3Confident85.9Confident5 Ų564.5 Ų64.52%0.02232%0.321CS..SBendtrans-85.4124.6172.2-178.3-147.4000110.2K807 T821 I890 V895 H906 W909 F914 R916K807-F912 HydrophobicContact CD-CE2 4.34Å; K807-F912 HydrophobicContact CD-CZ 4.29Å; T821-F912 HydrophobicContact CG2-CE1 3.78Å; T821-F912 HydrophobicContact CG2-CZ 3.75Å; I890-F912 HydrophobicContact CD1-CD1 4.22Å; I890-F912 HydrophobicContact CG1-CD1 4.46Å; V895-F912 HydrophobicContact CB-CE2 4.39Å; V895-F912 HydrophobicContact CB-CZ 4.36Å; V895-F912 HydrophobicContact CG1-CE2 3.71Å; V895-F912 HydrophobicContact CG1-CZ 3.59Å; V895-F912 HydrophobicContact CG2-CD1 4.37Å; V895-F912 HydrophobicContact CG2-CD2 4.36Å; V895-F912 HydrophobicContact CG2-CE1 3.99Å; V895-F912 HydrophobicContact CG2-CE2 4.01Å; V895-F912 HydrophobicContact CG2-CZ 3.81Å; H906-F912 HydrophobicContact CB-CB 4.11Å; H906-F912 AromaticContact CD2-CD2 3.67Å; H906-F912 AromaticContact CD2-CG 3.89Å; H906-F912 AromaticContact CE1-CD2 3.95Å; H906-F912 AromaticContact NE2-CD2 3.43Å; H906-F912 WeakPolarHBondContact NE2-CD2 3.41Å; W909-F912 HydrophobicContact CE3-CD1 4.05Å; W909-F912 AromaticContact CZ3-CD1 3.89Å; W909-F912 HydrophobicContact CZ3-CD1 3.89Å; W909-F912 HydrophobicContact CZ3-CE1 4.28Å; W909-F912 PolarHBondContact O-N 3.27Å; W909-F912 VanDerWaalsContact O-N 3.16Å; F912-F914 AromaticContact CD1-CD1 3.33Å; F912-F914 HydrophobicContact CD1-CD1 3.33Å; F912-F914 AromaticContact CD1-CE1 3.63Å; F912-F914 HydrophobicContact CD1-CE1 3.63Å; F912-F914 HydrophobicContact CD1-CG 4.14Å; F912-F914 HydrophobicContact CD2-CD1 4.49Å; F912-F914 HydrophobicContact CE1-CB 4.06Å; F912-F914 AromaticContact CE1-CD1 3.43Å; F912-F914 HydrophobicContact CE1-CD1 3.43Å; F912-F914 VanDerWaalsContact CE1-CD1 3.43Å; F912-F914 HydrophobicContact CE1-CD2 4.49Å; F912-F914 AromaticContact CE1-CE1 3.92Å; F912-F914 HydrophobicContact CE1-CE1 3.92Å; F912-F914 AromaticContact CE1-CG 3.76Å; F912-F914 HydrophobicContact CE1-CG 3.76Å; F912-F914 HydrophobicContact CE2-CB 4.22Å; F912-F914 AromaticContact CG-CD1 3.9Å; F912-F914 HydrophobicContact CG-CD1 3.9Å; F912-F914 HydrophobicContact CG-CE1 4.43Å; F912-F914 HydrophobicContact CZ-CB 3.84Å; F912-F914 HydrophobicContact CZ-CD1 4.06Å; F912-F914 HydrophobicContact CZ-CG 4.07Å; F912-R916 PolarHBondContact O-NH2 2.93Å
913R84.6Confident85.5Confident161 Ų16166 Ų6661%0.60832%0.321SS*.  trans-99.6114.2179-57.7-179.3-168.4176.55.3108.6
914F88.1Confident84.6Confident7 Ų768.2 Ų68.23%0.03133%0.332CS..SBendtrans-157.2169.6174.973.9-75.2000109.4P802 D803 T821 V824 Y832 W909 F912 R916P802-F914 WeakPolarHBondContact CB-O 3.42Å; D803-F914 CarbonylContact O-C 3.57Å; D803-F914 VanDerWaalsContact O-C 3.31Å; D803-F914 WeakPolarHBondContact O-CA 3.34Å; T821-F914 HydrophobicContact CG2-CD2 4.13Å; T821-F914 HydrophobicContact CG2-CG 4.42Å; V824-F914 HydrophobicContact CB-CE2 4.32Å; V824-F914 HydrophobicContact CG1-CE2 4.21Å; V824-F914 HydrophobicContact CG1-CZ 4.13Å; Y832-F914 HydrophobicContact CD1-CE1 4.45Å; Y832-F914 AromaticContact CD1-CZ 3.91Å; Y832-F914 HydrophobicContact CD1-CZ 3.91Å; Y832-F914 AromaticContact CE1-CE1 3.94Å; Y832-F914 HydrophobicContact CE1-CE1 3.94Å; Y832-F914 AromaticContact CE1-CZ 3.69Å; Y832-F914 HydrophobicContact CE1-CZ 3.69Å; W909-F914 AromaticContact CE3-CE1 3.83Å; W909-F914 HydrophobicContact CE3-CE1 3.83Å; W909-F914 HydrophobicContact CE3-CZ 4.17Å; W909-F914 AromaticContact CZ3-CE1 3.81Å; W909-F914 HydrophobicContact CZ3-CE1 3.81Å; W909-F914 AromaticContact CZ3-CZ 3.84Å; W909-F914 HydrophobicContact CZ3-CZ 3.84Å; F912-F914 AromaticContact CD1-CD1 3.33Å; F912-F914 HydrophobicContact CD1-CD1 3.33Å; F912-F914 AromaticContact CD1-CE1 3.63Å; F912-F914 HydrophobicContact CD1-CE1 3.63Å; F912-F914 HydrophobicContact CD1-CG 4.14Å; F912-F914 HydrophobicContact CD2-CD1 4.49Å; F912-F914 HydrophobicContact CE1-CB 4.06Å; F912-F914 AromaticContact CE1-CD1 3.43Å; F912-F914 HydrophobicContact CE1-CD1 3.43Å; F912-F914 VanDerWaalsContact CE1-CD1 3.43Å; F912-F914 HydrophobicContact CE1-CD2 4.49Å; F912-F914 AromaticContact CE1-CE1 3.92Å; F912-F914 HydrophobicContact CE1-CE1 3.92Å; F912-F914 AromaticContact CE1-CG 3.76Å; F912-F914 HydrophobicContact CE1-CG 3.76Å; F912-F914 HydrophobicContact CE2-CB 4.22Å; F912-F914 AromaticContact CG-CD1 3.9Å; F912-F914 HydrophobicContact CG-CD1 3.9Å; F912-F914 HydrophobicContact CG-CE1 4.43Å; F912-F914 HydrophobicContact CZ-CB 3.84Å; F912-F914 HydrophobicContact CZ-CD1 4.06Å; F912-F914 HydrophobicContact CZ-CG 4.07Å; F914-R916 HydrophobicContact CD1-CG 4.27Å; F914-R916 HydrophobicContact CE1-CG 3.92Å; F914-R916 HydrophobicContact CE2-CG 4.32Å; F914-R916 HydrophobicContact CZ-CG 3.96Å; F914-R916 PolarHBondContact O-N 3.5Å; F914-R916 VanDerWaalsContact O-N 3.15Å
915E88.8Confident83Confident79 Ų7968.2 Ų68.237%0.36934%0.339SS..  trans-66.3105.5173.8-178.3130.5-11600111.3D803 K804 I917D803-E915 PolarHBondContact O-N 3.49Å; K804-E915 IonicContact NZ-OE1 2.83Å; K804-E915 PolarHBondContact NZ-OE1 2.78Å; K804-E915 IonicContact NZ-OE2 2.87Å; K804-E915 PolarHBondContact NZ-OE2 2.84Å; E915-I917 HydrophobicContact CG-CG1 4.21Å; E915-I917 PolarHBondContact O-N 2.96Å; E915-I917 VanDerWaalsContact O-N 3.11Å
916R87.4Confident81Confident95 Ų9574.8 Ų74.836%0.35838%0.379SS..  trans-87.173.7-175.1-71.9-174.9-168.2162.77.8112.2V826 W909 K910 F912 F914 Q918V826-R916 HydrophobicContact CG2-CB 3.8Å; V826-R916 HydrophobicContact CG2-CG 4.16Å; W909-R916 PolarHBondContact O-NH2 3.4Å; K910-R916 PolarHBondContact O-NH2 3.11Å; K910-R916 VanDerWaalsContact O-NH2 3.15Å; F912-R916 PolarHBondContact O-NH2 2.93Å; F914-R916 HydrophobicContact CD1-CG 4.27Å; F914-R916 HydrophobicContact CE1-CG 3.92Å; F914-R916 HydrophobicContact CE2-CG 4.32Å; F914-R916 HydrophobicContact CZ-CG 3.96Å; F914-R916 PolarHBondContact O-N 3.5Å; F914-R916 VanDerWaalsContact O-N 3.15Å; R916-Q918 PolarHBondContact O-N 3.36Å; R916-Q918 PolarHBondContact O-NE2 2.93Å
917I89.2Confident80.7Confident62 Ų6276.5 Ų76.532%0.31839%0.389SS..PPolyproline II helixtrans-55.6130.5173.4-50.2172.6000109.2R825 V826 E915R825-I917 WeakPolarHBondContact CA-O 3.25Å; V826-I917 PolarHBondContact N-O 3.09Å; E915-I917 HydrophobicContact CG-CG1 4.21Å; E915-I917 PolarHBondContact O-N 2.96Å; E915-I917 VanDerWaalsContact O-N 3.11Å
918Q90.8Very high80.8Confident107 Ų10776.9 Ų76.950%0.538%0.384SS..BIsolated β-bridgetrans-81.6149.5177.5-58.7-56.8-75.900110.5R825 R916 D920R825-Q918 WeakPolarHBondContact CD-O 3.42Å; R916-Q918 PolarHBondContact O-N 3.36Å; R916-Q918 PolarHBondContact O-NE2 2.93Å; Q918-D920 PolarHBondContact O-N 3.02Å
919F89.9Confident80.7Confident24 Ų2478.4 Ų78.411%0.10539%0.394CS..PPolyproline II helixtrans-69.7122.7176.3176.3-94000112.2R825 V826 V827 T833 L835 Y880 F883 P921 M924R825-F919 HydrophobicContact CB-CB 3.9Å; R825-F919 HydrophobicContact CB-CD2 4.2Å; V826-F919 PolarHBondContact O-N 3.26Å; V827-F919 HydrophobicContact CG2-CB 3.91Å; V827-F919 HydrophobicContact CG2-CD2 4.38Å; V827-F919 HydrophobicContact CG2-CG 4.12Å; T833-F919 HydrophobicContact CG2-CD2 3.94Å; T833-F919 HydrophobicContact CG2-CE2 4.48Å; L835-F919 HydrophobicContact CD2-CD2 4.28Å; L835-F919 HydrophobicContact CD2-CE2 4.09Å; Y880-F919 HydrophobicContact CD1-CD1 4.36Å; Y880-F919 AromaticContact CD1-CE1 3.95Å; Y880-F919 HydrophobicContact CD1-CE1 3.95Å; Y880-F919 HydrophobicContact CD1-CZ 4.49Å; Y880-F919 AromaticContact CE1-CD1 3.91Å; Y880-F919 HydrophobicContact CE1-CD1 3.91Å; Y880-F919 AromaticContact CE1-CE1 3.82Å; Y880-F919 HydrophobicContact CE1-CE1 3.82Å; F883-F919 HydrophobicContact CD2-CE1 4.42Å; F883-F919 HydrophobicContact CD2-CZ 4.2Å; F919-P921 HydrophobicContact CE1-CG 4.14Å; F919-M924 HydrophobicContact CE2-CG 3.7Å; F919-M924 HydrophobicContact CE2-SD 4.4Å; F919-M924 HydrophobicContact CZ-CG 3.69Å
920D87.1Confident80.4Confident81 Ų8181.5 Ų81.543%0.43341%0.411SS..  trans-106.3122.9169.6-170.1-27.2000110.3Q918 A922 E923Q918-D920 PolarHBondContact O-N 3.02Å; D920-A922 PolarHBondContact O-N 3.26Å; D920-A922 VanDerWaalsContact O-N 3.13Å; D920-A922 WeakPolarHBondContact OD1-CB 3.38Å; D920-A922 PolarHBondContact OD1-N 2.82Å; D920-E923 HydrophobicContact CB-CG 4.27Å; D920-E923 PolarHBondContact O-N 3.28Å
921P81.6Confident80.4Confident63 Ų6377.7 Ų77.741%0.40940%0.398SS..G310 helixtrans-51.7-26.6172.2-29.537.4000115.7F883 F919 E923 M924 S925F883-P921 HydrophobicContact CE2-CB 3.83Å; F883-P921 HydrophobicContact CE2-CG 4.4Å; F883-P921 HydrophobicContact CZ-CB 3.83Å; F919-P921 HydrophobicContact CE1-CG 4.14Å; P921-E923 VanDerWaalsContact C-N 3.28Å; P921-E923 PolarHBondContact O-N 2.69Å; P921-M924 PolarHBondContact O-N 3.2Å; P921-S925 PolarHBondContact O-OG 3.07Å
922A80.7Confident80.1Confident52 Ų5277.4 Ų77.443%0.4340%0.395SS..G310 helixtrans-66.6-29177.400000112.7D920 M924 S925 N926D920-A922 PolarHBondContact O-N 3.26Å; D920-A922 VanDerWaalsContact O-N 3.13Å; D920-A922 WeakPolarHBondContact OD1-CB 3.38Å; D920-A922 PolarHBondContact OD1-N 2.82Å; A922-M924 PolarHBondContact O-N 2.85Å; A922-S925 PolarHBondContact O-N 3.19Å; A922-N926 PolarHBondContact O-ND2 3.49Å; A922-N926 VanDerWaalsContact O-ND2 3.17Å
923E79.4Confident79.5Confident73 Ų7382.6 Ų82.634%0.34142%0.422SS..G310 helixtrans-72-11.4176.6-64-175.8-124.800113.2R825 L835 D920 P921R825-E923 IonicContact CZ-OE1 3.11Å; R825-E923 IonicContact CZ-OE2 2.79Å; R825-E923 IonicContact NE-OE1 2.68Å; R825-E923 PolarHBondContact NE-OE1 3.17Å; R825-E923 VanDerWaalsContact NE-OE1 3.14Å; R825-E923 IonicContact NE-OE2 2.61Å; R825-E923 PolarHBondContact NE-OE2 2.91Å; R825-E923 IonicContact NH2-OE1 3.27Å; R825-E923 IonicContact NH2-OE2 2.89Å; R825-E923 PolarHBondContact NH2-OE2 3.45Å; L835-E923 HydrophobicContact CD1-CB 3.64Å; L835-E923 HydrophobicContact CD1-CG 4.47Å; L835-E923 WeakPolarHBondContact CD1-OE2 3.39Å; D920-E923 HydrophobicContact CB-CG 4.27Å; D920-E923 PolarHBondContact O-N 3.28Å; P921-E923 VanDerWaalsContact C-N 3.28Å; P921-E923 PolarHBondContact O-N 2.69Å
924M69Low79.1Confident59 Ų5976.5 Ų76.529%0.29141%0.407SS..G310 helixtrans-95.74.4172.9-71.9-64.2-64.300113.4L835 F883 I885 F919 P921 A922L835-M924 HydrophobicContact CD2-SD 3.75Å; F883-M924 HydrophobicContact CB-CE 4.28Å; F883-M924 HydrophobicContact CD1-CB 3.53Å; F883-M924 HydrophobicContact CD1-CE 4.34Å; F883-M924 HydrophobicContact CD1-CG 3.98Å; F883-M924 HydrophobicContact CE1-CB 3.55Å; F883-M924 HydrophobicContact CE1-CG 4.37Å; F883-M924 HydrophobicContact CG-CB 4.31Å; F883-M924 HydrophobicContact CG-CG 4.3Å; F883-M924 HydrophobicContact CZ-CB 4.35Å; I885-M924 HydrophobicContact CG2-CE 3.82Å; I885-M924 HydrophobicContact CG2-SD 4.17Å; F919-M924 HydrophobicContact CE2-CG 3.7Å; F919-M924 HydrophobicContact CE2-SD 4.4Å; F919-M924 HydrophobicContact CZ-CG 3.69Å; P921-M924 PolarHBondContact O-N 3.2Å; A922-M924 PolarHBondContact O-N 2.85Å
925S55.2Low78.4Confident88 Ų8882.3 Ų82.362%0.61544%0.439SS*.  trans-112.58.3-173.8-53.90000113.9P921 A922P921-S925 PolarHBondContact O-OG 3.07Å; A922-S925 PolarHBondContact O-N 3.19Å
926N41.3Very low77.4Confident205 Ų20582.6 Ų82.6100%1.09645%0.445SS*.  trans-131.60178.7-59.4-83000110.1A922A922-N926 PolarHBondContact O-ND2 3.49Å; A922-N926 VanDerWaalsContact O-ND2 3.17Å

Retrieved 926 of 926 residues in 383.6 ms (Link to these results)

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