A0A087XBB2_POEFO Loading...

Protein SHQ1 homolog

AlphaFold DB , UniProt , Accession A0A087XBB2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 542 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
1M62Low81.4Confident113 Ų11347.5 Ų47.556%0.55727%0.265SS*.  01380-67.7-171.2-159.100110.8Y41 P44 F46 E169M1-Y41 HydrophobicContact SD-CE2 4.5Å; M1-P44 CarbonylContact C-O 3.59Å; M1-P44 WeakPolarHBondContact CA-O 3.38Å; M1-F46 HydrophobicContact CB-CB 4.25Å; M1-F46 HydrophobicContact SD-CB 3.85Å; M1-F46 HydrophobicContact SD-CD1 4.38Å; M1-F46 HydrophobicContact SD-CG 4.14Å; M1-E169 PolarHBondContact N-OE1 3.28Å; M1-E169 PolarHBondContact N-OE2 3.17Å
2I69.1Low81.6Confident38 Ų3850.6 Ų50.620%0.19529%0.289CS..BIsolated β-bridgetrans-112.4133.8-172.2-51.3165.8000110.8P4 P44 Y45 F46 R166 L167I2-P4 VanDerWaalsContact O-CD 3.26Å; I2-P4 WeakPolarHBondContact O-CD 2.97Å; I2-P44 HydrophobicContact CD1-CB 4.12Å; I2-P44 HydrophobicContact CD1-CG 3.76Å; I2-P44 PolarHBondContact N-O 2.75Å; I2-Y45 HydrophobicContact CB-CD1 3.99Å; I2-Y45 HydrophobicContact CB-CE1 4.3Å; I2-Y45 HydrophobicContact CD1-CE1 4.35Å; I2-Y45 HydrophobicContact CG2-CD1 4.11Å; I2-Y45 HydrophobicContact CG2-CE1 4.12Å; I2-Y45 CarbonylContact O-C 3.56Å; I2-Y45 VanDerWaalsContact O-CA 3.22Å; I2-Y45 WeakPolarHBondContact O-CA 3.5Å; I2-F46 PolarHBondContact O-N 2.84Å; I2-R166 WeakPolarHBondContact CD1-O 3.25Å; I2-R166 WeakPolarHBondContact CG1-O 3.24Å; I2-L167 HydrophobicContact CD1-CD2 4.22Å
3T78.5Confident81.8Confident15 Ų1552.2 Ų52.29%0.09230%0.296CS..  trans-74.2113.6167.4-43.90000109.5L47 L95 E138T3-L47 HydrophobicContact CG2-CD1 3.65Å; T3-L95 HydrophobicContact CG2-CD2 4.17Å; T3-E138 WeakPolarHBondContact CB-O 2.96Å; T3-E138 PolarHBondContact OG1-O 2.93Å
4P82.1Confident82.2Confident3 Ų354.4 Ų54.42%0.01930%0.298CS..  trans-67.3156.8177.529-33.8000111I2 F6 I19 V21 Y45 F46 L47I2-P4 VanDerWaalsContact O-CD 3.26Å; I2-P4 WeakPolarHBondContact O-CD 2.97Å; P4-F6 WeakPolarHBondContact O-CD1 3.32Å; P4-F6 PolarHBondContact O-N 3.08Å; P4-I19 HydrophobicContact CB-CG2 3.57Å; P4-I19 HydrophobicContact CG-CG2 3.37Å; P4-V21 HydrophobicContact CB-CG1 3.93Å; P4-Y45 HydrophobicContact CB-CD1 3.68Å; P4-Y45 HydrophobicContact CB-CE1 4.35Å; P4-Y45 HydrophobicContact CB-CG 4.18Å; P4-Y45 HydrophobicContact CG-CD1 4.39Å; P4-F46 WeakPolarHBondContact CD-O 3.47Å; P4-L47 HydrophobicContact CG-CB 3.88Å; P4-L47 HydrophobicContact CG-CD2 4.35Å; P4-L47 HydrophobicContact CG-CG 4.49Å
5A82.1Confident82.6Confident35 Ų3550.7 Ų50.729%0.28928%0.278SS..EExtended strand (participates in β ladder)trans-68.5132.5168.200000109R20 Y140A5-R20 HydrophobicContact CB-CB 4.24Å; A5-R20 PolarHBondContact O-N 3.44Å; A5-Y140 HydrophobicContact CB-CD1 3.92Å
6F86.8Confident83Confident12 Ų1248.3 Ų48.35%0.05327%0.265CS..EExtended strand (participates in β ladder)trans-139.9151-177.268.9-83.7000111.7P4 L8 C18 I19 L47 L49 L91 L95P4-F6 WeakPolarHBondContact O-CD1 3.32Å; P4-F6 PolarHBondContact O-N 3.08Å; F6-L8 HydrophobicContact CD2-CD1 3.49Å; F6-L8 VanDerWaalsContact CD2-CD1 3.49Å; F6-L8 HydrophobicContact CE2-CD1 3.52Å; F6-C18 CarbonylContact C-O 3.58Å; F6-C18 WeakPolarHBondContact CA-O 3.19Å; F6-I19 HydrophobicContact CB-CG1 4.38Å; F6-L47 HydrophobicContact CB-CD2 3.8Å; F6-L47 HydrophobicContact CD1-CD1 3.53Å; F6-L47 HydrophobicContact CD1-CD2 3.94Å; F6-L47 HydrophobicContact CD1-CG 4.4Å; F6-L47 HydrophobicContact CD2-CD2 4.36Å; F6-L47 HydrophobicContact CE1-CD1 3.63Å; F6-L47 HydrophobicContact CG-CD1 4.2Å; F6-L47 HydrophobicContact CG-CD2 3.77Å; F6-L47 HydrophobicContact CZ-CD1 4.37Å; F6-L49 HydrophobicContact CD2-CD1 4.08Å; F6-L49 HydrophobicContact CD2-CD2 4.04Å; F6-L49 HydrophobicContact CE1-CD2 4.13Å; F6-L49 HydrophobicContact CE2-CD1 4.11Å; F6-L49 HydrophobicContact CE2-CD2 3.4Å; F6-L49 HydrophobicContact CE2-CG 4.41Å; F6-L49 HydrophobicContact CZ-CD2 3.45Å; F6-L49 VanDerWaalsContact CZ-CD2 3.45Å; F6-L91 HydrophobicContact CD2-CD2 3.97Å; F6-L91 HydrophobicContact CE2-CB 4.13Å; F6-L91 HydrophobicContact CE2-CD2 3.55Å; F6-L91 HydrophobicContact CE2-CG 4.35Å; F6-L91 HydrophobicContact CZ-CB 3.88Å; F6-L91 HydrophobicContact CZ-CD2 4.19Å; F6-L91 WeakPolarHBondContact O-CD1 3.48Å; F6-L95 HydrophobicContact CE1-CD2 4.1Å; F6-L95 HydrophobicContact CZ-CD2 4.22Å; F6-L95 HydrophobicContact CZ-CG 4.37Å
7D86.1Confident83.4Confident104 Ų10445.5 Ų45.556%0.55625%0.25SC*.EExtended strand (participates in β ladder)trans-132.6141175.5-79.3-53.5000109.2C18D7-C18 HydrophobicContact CB-CB 4.36Å; D7-C18 PolarHBondContact N-O 3.37Å; D7-C18 PolarHBondContact O-N 2.81Å
8L86.8Confident83.6Confident10 Ų1044.9 Ų44.95%0.05225%0.249CC..EExtended strand (participates in β ladder)trans-115.2132.5173.5-62.197.3000110.5F6 L15 I17 L49 L51 L88 L91 L94F6-L8 HydrophobicContact CD2-CD1 3.49Å; F6-L8 VanDerWaalsContact CD2-CD1 3.49Å; F6-L8 HydrophobicContact CE2-CD1 3.52Å; L8-L15 HydrophobicContact CD2-CD1 4.39Å; L8-L15 HydrophobicContact CD2-CD2 4.21Å; L8-I17 HydrophobicContact CD2-CD1 4.4Å; L8-I17 HydrophobicContact CD2-CG1 4.01Å; L8-I17 HydrophobicContact CG-CG1 4.45Å; L8-L49 HydrophobicContact CD1-CD1 4.23Å; L8-L49 HydrophobicContact CD2-CD1 4.13Å; L8-L51 HydrophobicContact CD2-CD2 3.58Å; L8-L88 HydrophobicContact CB-CB 4.24Å; L8-L88 HydrophobicContact CB-CD1 4.44Å; L8-L88 HydrophobicContact CB-CD2 4.07Å; L8-L88 HydrophobicContact CB-CG 4.49Å; L8-L88 HydrophobicContact CD2-CD2 4.16Å; L8-L91 HydrophobicContact CD1-CD2 3.87Å; L8-L94 HydrophobicContact CD1-CD1 3.61Å
9S86.6Confident83.8Confident62 Ų6242.5 Ų42.543%0.43424%0.236SC..EExtended strand (participates in β ladder)trans-129.7157.9170.4570000109.2T16S9-T16 PolarHBondContact N-O 3.41Å; S9-T16 WeakPolarHBondContact O-CA 3.37Å; S9-T16 PolarHBondContact O-N 3.1Å; S9-T16 VanDerWaalsContact O-O 3.1Å; S9-T16 WeakPolarHBondContact OG-CB 3.37Å
10Q88.4Confident83.8Confident42 Ų4247.3 Ų47.320%0.19625%0.25CS..EExtended strand (participates in β ladder)trans-140.2147.3-176.668.2-179.9-49.300111.9L15 H84 F85 L88Q10-L15 HydrophobicContact CB-CD1 4.1Å; Q10-H84 PolarHBondContact NE2-NE2 2.82Å; Q10-F85 PolarHBondContact NE2-O 3.22Å; Q10-L88 HydrophobicContact CB-CD1 3.86Å; Q10-L88 HydrophobicContact CG-CD1 3.8Å; Q10-L88 VanDerWaalsContact NE2-CD1 3.31Å
11D86.4Confident83.7Confident88 Ų8845 Ų4547%0.47124%0.238SC..  trans-111.2171.9165.4-70-35.9000108.7D13 Y14 K78D11-D13 PolarHBondContact O-N 2.5Å; D11-Y14 PolarHBondContact N-O 3.33Å; D11-K78 WeakPolarHBondContact O-CE 3.32Å; D11-K78 PolarHBondContact O-NZ 3.41Å
12P84.8Confident84Confident85 Ų8542.4 Ų42.455%0.55223%0.229SC*.SBendtrans-56.4-32.3176.3-27.336.3000113.6G82P12-G82 WeakPolarHBondContact O-CA 3.01Å; P12-G82 PolarHBondContact O-N 3.48Å
13D84Confident83.9Confident72 Ų7244.1 Ų44.139%0.38523%0.234SC..SBendtrans-105.2-23.9-174.2-61.2-47.1000114D11 K78D11-D13 PolarHBondContact O-N 2.5Å; D13-K78 PolarHBondContact O-N 3.4Å; D13-K78 VanDerWaalsContact O-N 3.08Å
14Y87.3Confident83.2Confident82 Ų8244.3 Ų44.332%0.32224%0.235SC..EExtended strand (participates in β ladder)trans-134.8147.5-171.4-61.3-88.9000112.7D11 A76 P77D11-Y14 PolarHBondContact N-O 3.33Å; Y14-A76 CarbonylContact C-O 3.6Å; Y14-A76 WeakPolarHBondContact CA-O 3.08Å; Y14-P77 HydrophobicContact CD1-CB 4.03Å; Y14-P77 HydrophobicContact CE1-CB 3.94Å
15L87.9Confident82.3Confident0 Ų048.7 Ų48.70%025%0.251CS..EExtended strand (participates in β ladder)trans-99.2127.7164.1-175.970.3000108.7L8 Q10 I17 L51 I55 K75 A76 F85 L88L8-L15 HydrophobicContact CD2-CD1 4.39Å; L8-L15 HydrophobicContact CD2-CD2 4.21Å; Q10-L15 HydrophobicContact CB-CD1 4.1Å; L15-I17 HydrophobicContact CD2-CD1 4.17Å; L15-I17 HydrophobicContact CD2-CG1 4.14Å; L15-I17 HydrophobicContact CG-CG1 4.2Å; L15-L51 HydrophobicContact CD2-CD1 3.68Å; L15-L51 HydrophobicContact CD2-CD2 3.93Å; L15-L51 HydrophobicContact CD2-CG 4.42Å; L15-I55 HydrophobicContact CB-CG2 4.19Å; L15-I55 HydrophobicContact CD2-CG2 3.99Å; L15-K75 CarbonylContact O-C 3.5Å; L15-K75 WeakPolarHBondContact O-CA 3.43Å; L15-A76 PolarHBondContact N-O 2.83Å; L15-A76 PolarHBondContact O-N 3.16Å; L15-F85 HydrophobicContact CD1-CD2 4.12Å; L15-F85 HydrophobicContact CD2-CD2 4.26Å; L15-F85 HydrophobicContact CD2-CE2 4.11Å; L15-L88 HydrophobicContact CD1-CD1 3.91Å; L15-L88 HydrophobicContact CD1-CD2 4.13Å
16T88.9Confident81.4Confident12 Ų1251 Ų517%0.07426%0.262CS..EExtended strand (participates in β ladder)trans-107.4113.4176.3-57.60000109.5S9 T73 L74 K75S9-T16 PolarHBondContact N-O 3.41Å; S9-T16 WeakPolarHBondContact O-CA 3.37Å; S9-T16 PolarHBondContact O-N 3.1Å; S9-T16 VanDerWaalsContact O-O 3.1Å; S9-T16 WeakPolarHBondContact OG-CB 3.37Å; T16-T73 HydrophobicContact CG2-CG2 3.64Å; T16-L74 CarbonylContact C-O 3.56Å; T16-L74 VanDerWaalsContact CA-O 3.3Å; T16-L74 WeakPolarHBondContact CA-O 3.46Å; T16-K75 HydrophobicContact CG2-CG 4.14Å
17I89.3Confident80.1Confident0 Ų055.2 Ų55.20%029%0.293CS..EExtended strand (participates in β ladder)trans-103.3117.9177.4-50.6179.2000108L8 L15 I19 F38 L49 T73 L74L8-I17 HydrophobicContact CD2-CD1 4.4Å; L8-I17 HydrophobicContact CD2-CG1 4.01Å; L8-I17 HydrophobicContact CG-CG1 4.45Å; L15-I17 HydrophobicContact CD2-CD1 4.17Å; L15-I17 HydrophobicContact CD2-CG1 4.14Å; L15-I17 HydrophobicContact CG-CG1 4.2Å; I17-I19 HydrophobicContact CG2-CD1 4.16Å; I17-I19 HydrophobicContact CG2-CG1 3.85Å; I17-F38 HydrophobicContact CD1-CD1 4.04Å; I17-F38 HydrophobicContact CD1-CD2 4.05Å; I17-F38 HydrophobicContact CD1-CE1 4.13Å; I17-F38 HydrophobicContact CD1-CE2 4.18Å; I17-F38 HydrophobicContact CD1-CG 3.98Å; I17-F38 HydrophobicContact CD1-CZ 4.19Å; I17-F38 HydrophobicContact CG2-CE1 4.3Å; I17-L49 HydrophobicContact CG2-CD1 4.36Å; I17-T73 CarbonylContact O-C 3.58Å; I17-T73 WeakPolarHBondContact O-CA 3.34Å; I17-L74 HydrophobicContact CB-CB 4.45Å; I17-L74 HydrophobicContact CD1-CD2 4.42Å; I17-L74 PolarHBondContact N-O 2.92Å; I17-L74 PolarHBondContact O-N 2.78Å
18C87.4Confident79.2Confident35 Ų3553.6 Ų53.624%0.23628%0.282CS..EExtended strand (participates in β ladder)trans-105.3121.6175.8-67.50000108.7F6 D7 V71 F72F6-C18 CarbonylContact C-O 3.58Å; F6-C18 WeakPolarHBondContact CA-O 3.19Å; D7-C18 HydrophobicContact CB-CB 4.36Å; D7-C18 PolarHBondContact N-O 3.37Å; D7-C18 PolarHBondContact O-N 2.81Å; C18-V71 HydrophobicContact CB-CG1 4.41Å; C18-F72 CarbonylContact C-O 3.57Å; C18-F72 WeakPolarHBondContact CA-O 3.31Å
19I88.4Confident78.8Confident0 Ų054.9 Ų54.90%029%0.287CS..EExtended strand (participates in β ladder)trans-122.5124.8-178-48.6177.6000108.2P4 F6 I17 V21 F38 F40 L47 F72P4-I19 HydrophobicContact CB-CG2 3.57Å; P4-I19 HydrophobicContact CG-CG2 3.37Å; F6-I19 HydrophobicContact CB-CG1 4.38Å; I17-I19 HydrophobicContact CG2-CD1 4.16Å; I17-I19 HydrophobicContact CG2-CG1 3.85Å; I19-V21 HydrophobicContact CG2-CG1 3.98Å; I19-F38 HydrophobicContact CD1-CE1 3.92Å; I19-F38 HydrophobicContact CD1-CZ 4.08Å; I19-F40 HydrophobicContact CD1-CB 3.9Å; I19-F40 HydrophobicContact CD1-CD1 3.86Å; I19-F40 HydrophobicContact CD1-CD2 3.92Å; I19-F40 HydrophobicContact CD1-CE1 4.36Å; I19-F40 HydrophobicContact CD1-CE2 4.4Å; I19-F40 HydrophobicContact CD1-CG 3.6Å; I19-F40 HydrophobicContact CG2-CD1 4.25Å; I19-F40 HydrophobicContact CG2-CE1 4.1Å; I19-L47 HydrophobicContact CD1-CD2 3.87Å; I19-L47 HydrophobicContact CG1-CD2 4.11Å; I19-L47 HydrophobicContact CG2-CD2 4.35Å; I19-F72 HydrophobicContact CB-CB 4.43Å; I19-F72 HydrophobicContact CB-CD1 4.4Å; I19-F72 HydrophobicContact CD1-CD1 4.08Å; I19-F72 HydrophobicContact CG1-CD1 4.35Å; I19-F72 PolarHBondContact N-O 3.48Å; I19-F72 PolarHBondContact O-N 3.16Å
20R83.1Confident78.6Confident138 Ų13857 Ų5752%0.52129%0.293SS..EExtended strand (participates in β ladder)trans-91108-179.2-166.4176.3-173.2-168.91.4110.3A5 G70 V71A5-R20 HydrophobicContact CB-CB 4.24Å; A5-R20 PolarHBondContact O-N 3.44Å; R20-G70 CarbonylContact C-O 3.55Å; R20-G70 WeakPolarHBondContact CA-O 3.24Å; R20-V71 HydrophobicContact CG-CG2 4.32Å
21V81.3Confident78.5Confident0 Ų058 Ų580%030%0.3CS..  trans-131.671.2-176.9-70.40000111.5P4 I19 Y23 T24 F29 F40 Y45 F65 G70 F72P4-V21 HydrophobicContact CB-CG1 3.93Å; I19-V21 HydrophobicContact CG2-CG1 3.98Å; V21-Y23 VanDerWaalsContact C-N 3.29Å; V21-Y23 PolarHBondContact O-N 3.08Å; V21-T24 HydrophobicContact CB-CG2 3.91Å; V21-T24 WeakPolarHBondContact CG2-OG1 3.46Å; V21-T24 PolarHBondContact O-OG1 2.82Å; V21-F29 HydrophobicContact CG2-CE1 4.44Å; V21-F29 HydrophobicContact CG2-CZ 4.4Å; V21-F40 HydrophobicContact CG1-CE1 3.86Å; V21-F40 HydrophobicContact CG1-CZ 4.19Å; V21-F40 HydrophobicContact CG2-CZ 4.41Å; V21-Y45 HydrophobicContact CB-CD2 4.03Å; V21-Y45 HydrophobicContact CB-CE2 4.13Å; V21-Y45 HydrophobicContact CG1-CD1 4.35Å; V21-Y45 HydrophobicContact CG1-CD2 3.69Å; V21-Y45 HydrophobicContact CG1-CE2 4.17Å; V21-Y45 HydrophobicContact CG1-CG 3.77Å; V21-F65 HydrophobicContact CG2-CE2 3.88Å; V21-G70 CarbonylContact C-O 3.47Å; V21-G70 PolarHBondContact N-O 2.75Å; V21-F72 HydrophobicContact CG2-CB 3.94Å
22P69.3Low78.3Confident57 Ų5758.8 Ų58.837%0.3730%0.3SS..THydrogen-bonded Turntrans-70.4-17-170.227-34.1000115.6
23Y65.6Low78.2Confident75 Ų7555.8 Ų55.829%0.29428%0.278SS..THydrogen-bonded Turntrans-11728-173.4-53.3-64.9000113.2V21V21-Y23 VanDerWaalsContact C-N 3.29Å; V21-Y23 PolarHBondContact O-N 3.08Å
24T65.6Low78Confident18 Ų1857.2 Ų57.211%0.1129%0.286CS..  trans-112.7147.3-17655.40000113V21 F29 A42 K43 Y45V21-T24 HydrophobicContact CB-CG2 3.91Å; V21-T24 WeakPolarHBondContact CG2-OG1 3.46Å; V21-T24 PolarHBondContact O-OG1 2.82Å; T24-F29 WeakPolarHBondContact OG1-CE1 3.41Å; T24-A42 HydrophobicContact CG2-CB 4.12Å; T24-K43 WeakPolarHBondContact CG2-O 3.43Å; T24-Y45 HydrophobicContact CG2-CD2 3.3Å; T24-Y45 HydrophobicContact CG2-CE2 3.5Å; T24-Y45 VanDerWaalsContact CG2-CE2 3.5Å
25R63.3Low77.8Confident95 Ų9554 Ų5436%0.35828%0.277SS..  trans-86.5140.6169.1-65.4-179-176.6-178.74.3109.7S27 E28 R367R25-S27 PolarHBondContact O-N 2.87Å; R25-S27 VanDerWaalsContact O-N 3.16Å; R25-E28 PolarHBondContact O-N 2.86Å; R25-R367 PolarHBondContact NH2-O 2.96Å
26T62.5Low77.4Confident83 Ų8355.5 Ų55.551%0.50929%0.29SS..G310 helixtrans-65.7-16.2-180-8.90000113.6E28 F29 F65T26-E28 VanDerWaalsContact C-N 3.28Å; T26-E28 PolarHBondContact O-N 3.2Å; T26-F29 HydrophobicContact CG2-CD2 3.9Å; T26-F29 HydrophobicContact CG2-CE2 3.43Å; T26-F29 VanDerWaalsContact CG2-CE2 3.43Å; T26-F29 HydrophobicContact CG2-CZ 4.3Å; T26-F65 HydrophobicContact CG2-CB 4.1Å; T26-F65 HydrophobicContact CG2-CD1 3.74Å; T26-F65 HydrophobicContact CG2-CG 4.13Å
27S59.5Low77.1Confident101 Ų10156.9 Ų56.971%0.70630%0.297SS*.G310 helixtrans-76.8-9.7-179.247.60000114.3R25R25-S27 PolarHBondContact O-N 2.87Å; R25-S27 VanDerWaalsContact O-N 3.16Å
28E66.1Low77Confident70 Ų7056.9 Ų56.933%0.32730%0.297SS..G310 helixtrans-12126.4-171.9-66.4172.5-146.500112.3R25 T26 A42R25-E28 PolarHBondContact O-N 2.86Å; T26-E28 VanDerWaalsContact C-N 3.28Å; T26-E28 PolarHBondContact O-N 3.2Å; E28-A42 WeakPolarHBondContact O-CA 3.25Å
29F80.3Confident76.9Confident37 Ų3758.8 Ų58.816%0.16230%0.301CS..  trans-89.8112.3176.9-64.5-24.4000111V21 T24 T26 F40 A42 F65 F72V21-F29 HydrophobicContact CG2-CE1 4.44Å; V21-F29 HydrophobicContact CG2-CZ 4.4Å; T24-F29 WeakPolarHBondContact OG1-CE1 3.41Å; T26-F29 HydrophobicContact CG2-CD2 3.9Å; T26-F29 HydrophobicContact CG2-CE2 3.43Å; T26-F29 VanDerWaalsContact CG2-CE2 3.43Å; T26-F29 HydrophobicContact CG2-CZ 4.3Å; F29-F40 HydrophobicContact CD1-CE2 4.34Å; F29-F40 HydrophobicContact CD1-CZ 4.2Å; F29-F40 HydrophobicContact CE1-CZ 4.36Å; F29-A42 HydrophobicContact CD1-CB 3.45Å; F29-A42 VanDerWaalsContact CD1-CB 3.45Å; F29-A42 HydrophobicContact CE1-CB 3.7Å; F29-F65 HydrophobicContact CE2-CB 4.22Å; F29-F65 HydrophobicContact CE2-CD1 4.34Å; F29-F65 AromaticContact CE2-CD2 3.98Å; F29-F65 HydrophobicContact CE2-CD2 3.98Å; F29-F65 HydrophobicContact CE2-CE2 4.46Å; F29-F65 AromaticContact CE2-CG 3.93Å; F29-F65 HydrophobicContact CE2-CG 3.93Å; F29-F65 HydrophobicContact CZ-CD1 4.48Å; F29-F65 AromaticContact CZ-CD2 3.92Å; F29-F65 HydrophobicContact CZ-CD2 3.92Å; F29-F65 HydrophobicContact CZ-CE1 4.46Å; F29-F65 AromaticContact CZ-CE2 3.94Å; F29-F65 HydrophobicContact CZ-CE2 3.94Å; F29-F65 HydrophobicContact CZ-CG 4.21Å; F29-F65 HydrophobicContact CZ-CZ 4.21Å; F29-F72 HydrophobicContact CD2-CD2 4.11Å; F29-F72 HydrophobicContact CD2-CE2 4.19Å; F29-F72 AromaticContact CE2-CD2 3.98Å; F29-F72 HydrophobicContact CE2-CD2 3.98Å; F29-F72 HydrophobicContact CE2-CE2 4.49Å
30D82.3Confident76.8Confident106 Ų10658.8 Ų58.857%0.56730%0.301SS*.EExtended strand (participates in β ladder)trans-108126.4170.6-70.3-40000110Y41D30-Y41 HydrophobicContact CB-CD1 4.34Å; D30-Y41 PolarHBondContact N-O 3.26Å; D30-Y41 PolarHBondContact O-N 2.98Å
31L84.4Confident76.8Confident65 Ų6556 Ų5634%0.3429%0.291SS..EExtended strand (participates in β ladder)trans-118.1136.5179.7-68.5157.1000108.6F38 F40 F72 L74L31-F38 HydrophobicContact CD2-CE2 3.92Å; L31-F38 HydrophobicContact CD2-CZ 3.93Å; L31-F40 HydrophobicContact CD2-CD2 3.68Å; L31-F40 HydrophobicContact CD2-CE2 4.47Å; L31-F40 HydrophobicContact CG-CD2 4.49Å; L31-F72 HydrophobicContact CD1-CZ 3.83Å; L31-F72 HydrophobicContact CD2-CE1 3.9Å; L31-F72 HydrophobicContact CD2-CZ 3.92Å; L31-F72 HydrophobicContact CG-CZ 4.37Å; L31-L74 HydrophobicContact CD2-CD2 4.27Å
32F83Confident76.7Confident104 Ų10456.1 Ų56.146%0.45629%0.292SS..EExtended strand (participates in β ladder)trans-137.3119.9173.6-179.2-93.4000109.5D34 K39F32-D34 HydrophobicContact CD1-CB 4.37Å; F32-D34 HydrophobicContact CE1-CB 3.53Å; F32-D34 HydrophobicContact CZ-CB 3.92Å; F32-K39 HydrophobicContact CB-CB 4.2Å; F32-K39 HydrophobicContact CD1-CD 4.04Å; F32-K39 HydrophobicContact CD1-CG 4.42Å; F32-K39 PolarHBondContact N-O 2.82Å; F32-K39 PolarHBondContact O-N 3Å
33I83.8Confident76.7Confident21 Ų2157.6 Ų57.611%0.10829%0.292CS..EExtended strand (participates in β ladder)trans-117.2116.7178.8-56.2177.3000108.4F38 I55 E57 L74 A76I33-F38 HydrophobicContact CG1-CD2 4.04Å; I33-F38 HydrophobicContact CG1-CE2 4.41Å; I33-I55 HydrophobicContact CD1-CD1 4.31Å; I33-I55 HydrophobicContact CG1-CD1 4.35Å; I33-I55 HydrophobicContact CG2-CB 4.43Å; I33-I55 HydrophobicContact CG2-CD1 3.47Å; I33-I55 VanDerWaalsContact CG2-CD1 3.47Å; I33-I55 HydrophobicContact CG2-CG1 3.5Å; I33-E57 HydrophobicContact CB-CG 3.88Å; I33-E57 WeakPolarHBondContact CB-OE1 3.5Å; I33-E57 HydrophobicContact CD1-CG 3.86Å; I33-E57 HydrophobicContact CG1-CG 4.27Å; I33-E57 WeakPolarHBondContact CG1-OE1 3.37Å; I33-E57 HydrophobicContact CG2-CG 4.4Å; I33-L74 HydrophobicContact CD1-CD2 4.22Å; I33-A76 HydrophobicContact CD1-CB 4.38Å
34D79.3Confident76.7Confident103 Ų10354.6 Ų54.655%0.55128%0.282SS*.EExtended strand (participates in β ladder)trans-129.884.6174.4-175.511.4000110.1F32 A36 D37F32-D34 HydrophobicContact CD1-CB 4.37Å; F32-D34 HydrophobicContact CE1-CB 3.53Å; F32-D34 HydrophobicContact CZ-CB 3.92Å; D34-A36 PolarHBondContact O-N 2.79Å; D34-D37 PolarHBondContact N-O 2.91Å; D34-D37 PolarHBondContact O-N 2.84Å
35G81.9Confident77.3Confident13 Ų1354.3 Ų54.313%0.13428%0.279CS..EExtended strand (participates in β ladder)trans59.3-98.6179.800000112.3R54 I55G35-R54 CarbonylContact O-C 3.59Å; G35-R54 WeakPolarHBondContact O-CA 3.15Å; G35-I55 VanDerWaalsContact O-CG1 3.25Å; G35-I55 WeakPolarHBondContact O-CG1 3.43Å; G35-I55 PolarHBondContact O-N 3.32Å
36A81.2Confident78.3Confident32 Ų3252.3 Ų52.326%0.26427%0.273SS..EExtended strand (participates in β ladder)trans-88.1-19.8179.200000112.9D34 L51D34-A36 PolarHBondContact O-N 2.79Å; A36-L51 VanDerWaalsContact O-CB 3.31Å; A36-L51 WeakPolarHBondContact O-CB 3.47Å; A36-L51 PolarHBondContact O-N 2.75Å
37D82.6Confident79.3Confident41 Ų4148.4 Ų48.422%0.21925%0.249CC..EExtended strand (participates in β ladder)trans-93.8123.9-177.7-881.6000110.7D34 R48 S50D34-D37 PolarHBondContact N-O 2.91Å; D34-D37 PolarHBondContact O-N 2.84Å; D37-R48 IonicContact OD2-NH2 3.32Å; D37-R48 PolarHBondContact OD2-NH2 2.76Å; D37-S50 PolarHBondContact OD1-OG 2.79Å
38F86.4Confident80.4Confident0 Ų045.9 Ų45.90%022%0.224CC..EExtended strand (participates in β ladder)trans-115.5125.6174.5171.9-99.6000109.3I17 I19 L31 I33 F40 R48 L49 L51 L74I17-F38 HydrophobicContact CD1-CD1 4.04Å; I17-F38 HydrophobicContact CD1-CD2 4.05Å; I17-F38 HydrophobicContact CD1-CE1 4.13Å; I17-F38 HydrophobicContact CD1-CE2 4.18Å; I17-F38 HydrophobicContact CD1-CG 3.98Å; I17-F38 HydrophobicContact CD1-CZ 4.19Å; I17-F38 HydrophobicContact CG2-CE1 4.3Å; I19-F38 HydrophobicContact CD1-CE1 3.92Å; I19-F38 HydrophobicContact CD1-CZ 4.08Å; L31-F38 HydrophobicContact CD2-CE2 3.92Å; L31-F38 HydrophobicContact CD2-CZ 3.93Å; I33-F38 HydrophobicContact CG1-CD2 4.04Å; I33-F38 HydrophobicContact CG1-CE2 4.41Å; F38-F40 HydrophobicContact CE1-CB 3.73Å; F38-F40 HydrophobicContact CZ-CB 3.78Å; F38-R48 CarbonylContact O-C 3.49Å; F38-R48 WeakPolarHBondContact O-CA 3.37Å; F38-L49 HydrophobicContact CB-CB 4.26Å; F38-L49 HydrophobicContact CD1-CB 4.28Å; F38-L49 HydrophobicContact CD1-CD1 3.88Å; F38-L49 HydrophobicContact CD1-CG 4.09Å; F38-L49 HydrophobicContact CE1-CD1 4.44Å; F38-L49 PolarHBondContact N-O 2.87Å; F38-L49 PolarHBondContact O-N 3.35Å; F38-L51 HydrophobicContact CB-CD1 4.19Å; F38-L74 HydrophobicContact CD2-CD2 4.18Å; F38-L74 HydrophobicContact CE2-CD2 3.32Å; F38-L74 HydrophobicContact CZ-CD2 3.89Å
39K86.1Confident81.2Confident75 Ų7542.6 Ų42.633%0.32621%0.209SC..EExtended strand (participates in β ladder)trans-122.1134.2172.9-55.5171.7-175.5171.10109.5F32 L47 R48F32-K39 HydrophobicContact CB-CB 4.2Å; F32-K39 HydrophobicContact CD1-CD 4.04Å; F32-K39 HydrophobicContact CD1-CG 4.42Å; F32-K39 PolarHBondContact N-O 2.82Å; F32-K39 PolarHBondContact O-N 3Å; K39-L47 CarbonylContact C-O 3.56Å; K39-L47 WeakPolarHBondContact CA-O 3.41Å; K39-R48 HydrophobicContact CG-CG 4.12Å
40F86.3Confident81.3Confident0 Ų042.4 Ų42.40%021%0.212CC..EExtended strand (participates in β ladder)trans-126.8127.7175.1169.6-93.7000108.5I19 V21 F29 L31 F38 A42 F46 L47 F72I19-F40 HydrophobicContact CD1-CB 3.9Å; I19-F40 HydrophobicContact CD1-CD1 3.86Å; I19-F40 HydrophobicContact CD1-CD2 3.92Å; I19-F40 HydrophobicContact CD1-CE1 4.36Å; I19-F40 HydrophobicContact CD1-CE2 4.4Å; I19-F40 HydrophobicContact CD1-CG 3.6Å; I19-F40 HydrophobicContact CG2-CD1 4.25Å; I19-F40 HydrophobicContact CG2-CE1 4.1Å; V21-F40 HydrophobicContact CG1-CE1 3.86Å; V21-F40 HydrophobicContact CG1-CZ 4.19Å; V21-F40 HydrophobicContact CG2-CZ 4.41Å; F29-F40 HydrophobicContact CD1-CE2 4.34Å; F29-F40 HydrophobicContact CD1-CZ 4.2Å; F29-F40 HydrophobicContact CE1-CZ 4.36Å; L31-F40 HydrophobicContact CD2-CD2 3.68Å; L31-F40 HydrophobicContact CD2-CE2 4.47Å; L31-F40 HydrophobicContact CG-CD2 4.49Å; F38-F40 HydrophobicContact CE1-CB 3.73Å; F38-F40 HydrophobicContact CZ-CB 3.78Å; F40-A42 HydrophobicContact CE1-CB 3.55Å; F40-A42 HydrophobicContact CE2-CB 4.26Å; F40-A42 HydrophobicContact CZ-CB 3.4Å; F40-F46 CarbonylContact O-C 3.51Å; F40-F46 WeakPolarHBondContact O-CA 3.33Å; F40-L47 HydrophobicContact CB-CB 4.27Å; F40-L47 HydrophobicContact CD1-CB 4.38Å; F40-L47 PolarHBondContact N-O 3.38Å; F40-L47 PolarHBondContact O-N 2.84Å; F40-F72 HydrophobicContact CD2-CD1 4.27Å; F40-F72 HydrophobicContact CD2-CE1 4.12Å; F40-F72 AromaticContact CE2-CD1 3.8Å; F40-F72 HydrophobicContact CE2-CD1 3.8Å; F40-F72 HydrophobicContact CE2-CD2 4.49Å; F40-F72 AromaticContact CE2-CE1 3.94Å; F40-F72 HydrophobicContact CE2-CE1 3.94Å; F40-F72 HydrophobicContact CE2-CG 4.1Å; F40-F72 HydrophobicContact CE2-CZ 4.38Å; F40-F72 HydrophobicContact CZ-CD1 4.43Å; F40-F72 HydrophobicContact CZ-CG 4.5Å
41Y82.2Confident81.4Confident81 Ų8137.8 Ų37.832%0.31819%0.187SC..EExtended strand (participates in β ladder)trans-126.1129.3175.9177-97000109.3M1 D30 F46M1-Y41 HydrophobicContact SD-CE2 4.5Å; D30-Y41 HydrophobicContact CB-CD1 4.34Å; D30-Y41 PolarHBondContact N-O 3.26Å; D30-Y41 PolarHBondContact O-N 2.98Å; Y41-F46 HydrophobicContact CD2-CB 4.45Å; Y41-F46 HydrophobicContact CD2-CD2 4.1Å
42A80Confident81.2Confident1 Ų137.9 Ų37.91%0.00819%0.192CC..EExtended strand (participates in β ladder)trans-157.396.9177.300000107.9T24 E28 F29 F40 Y45T24-A42 HydrophobicContact CG2-CB 4.12Å; E28-A42 WeakPolarHBondContact O-CA 3.25Å; F29-A42 HydrophobicContact CD1-CB 3.45Å; F29-A42 VanDerWaalsContact CD1-CB 3.45Å; F29-A42 HydrophobicContact CE1-CB 3.7Å; F40-A42 HydrophobicContact CE1-CB 3.55Å; F40-A42 HydrophobicContact CE2-CB 4.26Å; F40-A42 HydrophobicContact CZ-CB 3.4Å; A42-Y45 CarbonylContact C-O 3.57Å; A42-Y45 PolarHBondContact N-O 2.84Å; A42-Y45 VanDerWaalsContact O-CA 3.28Å; A42-Y45 WeakPolarHBondContact O-CA 3.47Å; A42-Y45 VanDerWaalsContact O-CB 3.27Å; A42-Y45 WeakPolarHBondContact O-CB 3.4Å; A42-Y45 PolarHBondContact O-N 2.9Å
43K67.9Low81.2Confident88 Ų8833.2 Ų33.238%0.38317%0.173SC..THydrogen-bonded Turntrans-48.3126.9-171.3-170.5179.7176.6-174.60111.6T24T24-K43 WeakPolarHBondContact CG2-O 3.43Å
44P66.4Low81.1Confident12 Ų1239.3 Ų39.38%0.07820%0.195CC..THydrogen-bonded Turncis-90.76.85.535-37.4000116.1M1 I2 L167 E170M1-P44 CarbonylContact C-O 3.59Å; M1-P44 WeakPolarHBondContact CA-O 3.38Å; I2-P44 HydrophobicContact CD1-CB 4.12Å; I2-P44 HydrophobicContact CD1-CG 3.76Å; I2-P44 PolarHBondContact N-O 2.75Å; P44-L167 HydrophobicContact CG-CD2 3.58Å; P44-E170 WeakPolarHBondContact CB-OE1 3.44Å
45Y78.6Confident81.4Confident13 Ų1334.5 Ų34.55%0.05117%0.169CC..EExtended strand (participates in β ladder)trans-84.8138.3-174.1-56.4-80.7000113.3I2 P4 V21 T24 A42I2-Y45 HydrophobicContact CB-CD1 3.99Å; I2-Y45 HydrophobicContact CB-CE1 4.3Å; I2-Y45 HydrophobicContact CD1-CE1 4.35Å; I2-Y45 HydrophobicContact CG2-CD1 4.11Å; I2-Y45 HydrophobicContact CG2-CE1 4.12Å; I2-Y45 CarbonylContact O-C 3.56Å; I2-Y45 VanDerWaalsContact O-CA 3.22Å; I2-Y45 WeakPolarHBondContact O-CA 3.5Å; P4-Y45 HydrophobicContact CB-CD1 3.68Å; P4-Y45 HydrophobicContact CB-CE1 4.35Å; P4-Y45 HydrophobicContact CB-CG 4.18Å; P4-Y45 HydrophobicContact CG-CD1 4.39Å; V21-Y45 HydrophobicContact CB-CD2 4.03Å; V21-Y45 HydrophobicContact CB-CE2 4.13Å; V21-Y45 HydrophobicContact CG1-CD1 4.35Å; V21-Y45 HydrophobicContact CG1-CD2 3.69Å; V21-Y45 HydrophobicContact CG1-CE2 4.17Å; V21-Y45 HydrophobicContact CG1-CG 3.77Å; T24-Y45 HydrophobicContact CG2-CD2 3.3Å; T24-Y45 HydrophobicContact CG2-CE2 3.5Å; T24-Y45 VanDerWaalsContact CG2-CE2 3.5Å; A42-Y45 CarbonylContact C-O 3.57Å; A42-Y45 PolarHBondContact N-O 2.84Å; A42-Y45 VanDerWaalsContact O-CA 3.28Å; A42-Y45 WeakPolarHBondContact O-CA 3.47Å; A42-Y45 VanDerWaalsContact O-CB 3.27Å; A42-Y45 WeakPolarHBondContact O-CB 3.4Å; A42-Y45 PolarHBondContact O-N 2.9Å
46F82.6Confident81.5Confident53 Ų5335.8 Ų35.823%0.23217%0.174CC..EExtended strand (participates in β ladder)trans-138.3128.2170.7178.6-115.3000108.9M1 I2 P4 F40 Y41 R48M1-F46 HydrophobicContact CB-CB 4.25Å; M1-F46 HydrophobicContact SD-CB 3.85Å; M1-F46 HydrophobicContact SD-CD1 4.38Å; M1-F46 HydrophobicContact SD-CG 4.14Å; I2-F46 PolarHBondContact O-N 2.84Å; P4-F46 WeakPolarHBondContact CD-O 3.47Å; F40-F46 CarbonylContact O-C 3.51Å; F40-F46 WeakPolarHBondContact O-CA 3.33Å; Y41-F46 HydrophobicContact CD2-CB 4.45Å; Y41-F46 HydrophobicContact CD2-CD2 4.1Å; F46-R48 HydrophobicContact CE1-CB 4.4Å; F46-R48 HydrophobicContact CZ-CB 4.35Å
47L84.1Confident81.3Confident0 Ų039.5 Ų39.50%019%0.186CC..EExtended strand (participates in β ladder)trans-129.7129.2178.1-175.965.8000109.3T3 P4 F6 I19 K39 F40 L49 L95T3-L47 HydrophobicContact CG2-CD1 3.65Å; P4-L47 HydrophobicContact CG-CB 3.88Å; P4-L47 HydrophobicContact CG-CD2 4.35Å; P4-L47 HydrophobicContact CG-CG 4.49Å; F6-L47 HydrophobicContact CB-CD2 3.8Å; F6-L47 HydrophobicContact CD1-CD1 3.53Å; F6-L47 HydrophobicContact CD1-CD2 3.94Å; F6-L47 HydrophobicContact CD1-CG 4.4Å; F6-L47 HydrophobicContact CD2-CD2 4.36Å; F6-L47 HydrophobicContact CE1-CD1 3.63Å; F6-L47 HydrophobicContact CG-CD1 4.2Å; F6-L47 HydrophobicContact CG-CD2 3.77Å; F6-L47 HydrophobicContact CZ-CD1 4.37Å; I19-L47 HydrophobicContact CD1-CD2 3.87Å; I19-L47 HydrophobicContact CG1-CD2 4.11Å; I19-L47 HydrophobicContact CG2-CD2 4.35Å; K39-L47 CarbonylContact C-O 3.56Å; K39-L47 WeakPolarHBondContact CA-O 3.41Å; F40-L47 HydrophobicContact CB-CB 4.27Å; F40-L47 HydrophobicContact CD1-CB 4.38Å; F40-L47 PolarHBondContact N-O 3.38Å; F40-L47 PolarHBondContact O-N 2.84Å; L47-L49 HydrophobicContact CD1-CD2 3.94Å; L47-L49 HydrophobicContact CD1-CG 4.45Å; L47-L49 HydrophobicContact CD2-CD1 4.09Å; L47-L49 HydrophobicContact CD2-CD2 4.32Å; L47-L49 HydrophobicContact CD2-CG 4.15Å; L47-L49 HydrophobicContact CG-CD2 4.09Å; L47-L49 HydrophobicContact CG-CG 4.04Å; L47-L95 HydrophobicContact CD1-CD2 4Å
48R83.2Confident80.7Confident49 Ų4942.7 Ų42.719%0.18520%0.203CC..EExtended strand (participates in β ladder)trans-123.5123171.7179.9-180-179-165.60.2108.2D37 F38 K39 F46 A96 Q137D37-R48 IonicContact OD2-NH2 3.32Å; D37-R48 PolarHBondContact OD2-NH2 2.76Å; F38-R48 CarbonylContact O-C 3.49Å; F38-R48 WeakPolarHBondContact O-CA 3.37Å; K39-R48 HydrophobicContact CG-CG 4.12Å; F46-R48 HydrophobicContact CE1-CB 4.4Å; F46-R48 HydrophobicContact CZ-CB 4.35Å; R48-A96 HydrophobicContact CG-CB 4.29Å; R48-Q137 PolarHBondContact O-OE1 3.47Å
49L82.8Confident79.8Confident0 Ų045.7 Ų45.70%023%0.234CC..EExtended strand (participates in β ladder)trans-117.4134.2175.9-54.7176.9000109.5F6 L8 I17 F38 L47 L51 L94 L95F6-L49 HydrophobicContact CD2-CD1 4.08Å; F6-L49 HydrophobicContact CD2-CD2 4.04Å; F6-L49 HydrophobicContact CE1-CD2 4.13Å; F6-L49 HydrophobicContact CE2-CD1 4.11Å; F6-L49 HydrophobicContact CE2-CD2 3.4Å; F6-L49 HydrophobicContact CE2-CG 4.41Å; F6-L49 HydrophobicContact CZ-CD2 3.45Å; F6-L49 VanDerWaalsContact CZ-CD2 3.45Å; L8-L49 HydrophobicContact CD1-CD1 4.23Å; L8-L49 HydrophobicContact CD2-CD1 4.13Å; I17-L49 HydrophobicContact CG2-CD1 4.36Å; F38-L49 HydrophobicContact CB-CB 4.26Å; F38-L49 HydrophobicContact CD1-CB 4.28Å; F38-L49 HydrophobicContact CD1-CD1 3.88Å; F38-L49 HydrophobicContact CD1-CG 4.09Å; F38-L49 HydrophobicContact CE1-CD1 4.44Å; F38-L49 PolarHBondContact N-O 2.87Å; F38-L49 PolarHBondContact O-N 3.35Å; L47-L49 HydrophobicContact CD1-CD2 3.94Å; L47-L49 HydrophobicContact CD1-CG 4.45Å; L47-L49 HydrophobicContact CD2-CD1 4.09Å; L47-L49 HydrophobicContact CD2-CD2 4.32Å; L47-L49 HydrophobicContact CD2-CG 4.15Å; L47-L49 HydrophobicContact CG-CD2 4.09Å; L47-L49 HydrophobicContact CG-CG 4.04Å; L49-L51 HydrophobicContact CB-CD2 4.25Å; L49-L94 CarbonylContact C-O 3.57Å; L49-L94 VanDerWaalsContact CA-O 3.22Å; L49-L94 WeakPolarHBondContact CA-O 3.31Å; L49-L94 HydrophobicContact CD2-CB 4.34Å; L49-L95 HydrophobicContact CD2-CD2 4.22Å
50S82.3Confident79.2Confident33 Ų3345.3 Ų45.323%0.23124%0.238CC..EExtended strand (participates in β ladder)trans-100.2103.5162.8-66.80000107.6D37 L94D37-S50 PolarHBondContact OD1-OG 2.79Å; S50-L94 PolarHBondContact N-O 3.38Å
51L83.7Confident79Confident9 Ų948.6 Ų48.65%0.04725%0.253CS..EExtended strand (participates in β ladder)trans-76.9147.3-176.7-60.1172.1000110.5L8 L15 A36 F38 L49 G53 I55L8-L51 HydrophobicContact CD2-CD2 3.58Å; L15-L51 HydrophobicContact CD2-CD1 3.68Å; L15-L51 HydrophobicContact CD2-CD2 3.93Å; L15-L51 HydrophobicContact CD2-CG 4.42Å; A36-L51 VanDerWaalsContact O-CB 3.31Å; A36-L51 WeakPolarHBondContact O-CB 3.47Å; A36-L51 PolarHBondContact O-N 2.75Å; F38-L51 HydrophobicContact CB-CD1 4.19Å; L49-L51 HydrophobicContact CB-CD2 4.25Å; L51-G53 WeakPolarHBondContact CB-O 3.3Å; L51-G53 PolarHBondContact O-N 3.48Å; L51-I55 HydrophobicContact CD1-CD1 3.52Å; L51-I55 HydrophobicContact CD1-CG1 3.79Å; L51-I55 HydrophobicContact CD1-CG2 4.3Å
52P80.8Confident78.9Confident68 Ų6851.8 Ų51.844%0.44227%0.269SS..EExtended strand (participates in β ladder)trans-71.3-13.3179.630.7-38.2000113.4F85 G86 L88P52-F85 HydrophobicContact CG-CB 3.79Å; P52-F85 HydrophobicContact CG-CD2 4.17Å; P52-F85 HydrophobicContact CG-CG 4.15Å; P52-G86 WeakPolarHBondContact CG-O 3.41Å; P52-L88 HydrophobicContact CG-CD2 4.42Å
53G82.1Confident79.1Confident6 Ų654.4 Ų54.46%0.06229%0.291CS..EExtended strand (participates in β ladder)trans-142.5166.4178.400000110.6L51 F85L51-G53 WeakPolarHBondContact CB-O 3.3Å; L51-G53 PolarHBondContact O-N 3.48Å; G53-F85 VanDerWaalsContact C-CZ 3.44Å
54R83.5Confident79.8Confident149 Ų14954.3 Ų54.356%0.56230%0.298SS*.EExtended strand (participates in β ladder)trans-88.6135.1-173.7-65.4176.1-179.6-103.7-3.3112.1G35 E79G35-R54 CarbonylContact O-C 3.59Å; G35-R54 WeakPolarHBondContact O-CA 3.15Å; R54-E79 HydrophobicContact CB-CB 4.1Å; R54-E79 WeakPolarHBondContact CB-OE2 3.29Å; R54-E79 WeakPolarHBondContact CD-OE2 3.43Å; R54-E79 PolarHBondContact O-N 3.35Å; R54-E79 VanDerWaalsContact O-N 3.08Å
55I85.8Confident80.6Confident1 Ų155.9 Ų55.91%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-113.9154.4171.753.6164.4000109.6L15 I33 G35 L51 A76 P77 F85L15-I55 HydrophobicContact CB-CG2 4.19Å; L15-I55 HydrophobicContact CD2-CG2 3.99Å; I33-I55 HydrophobicContact CD1-CD1 4.31Å; I33-I55 HydrophobicContact CG1-CD1 4.35Å; I33-I55 HydrophobicContact CG2-CB 4.43Å; I33-I55 HydrophobicContact CG2-CD1 3.47Å; I33-I55 VanDerWaalsContact CG2-CD1 3.47Å; I33-I55 HydrophobicContact CG2-CG1 3.5Å; G35-I55 VanDerWaalsContact O-CG1 3.25Å; G35-I55 WeakPolarHBondContact O-CG1 3.43Å; G35-I55 PolarHBondContact O-N 3.32Å; L51-I55 HydrophobicContact CD1-CD1 3.52Å; L51-I55 HydrophobicContact CD1-CG1 3.79Å; L51-I55 HydrophobicContact CD1-CG2 4.3Å; I55-A76 HydrophobicContact CB-CB 4.34Å; I55-A76 HydrophobicContact CD1-CB 4.04Å; I55-P77 WeakPolarHBondContact CA-O 3.38Å; I55-F85 HydrophobicContact CG2-CE2 4.01Å; I55-F85 HydrophobicContact CG2-CZ 4.23Å
56V83.5Confident80.8Confident40 Ų4058 Ų5824%0.24232%0.316CS..  trans-129.7146.9-173.5-175.30000110.6D58 P77 E79V56-D58 VanDerWaalsContact CG1-OD1 3.24Å; V56-D58 WeakPolarHBondContact CG1-OD1 3.22Å; V56-D58 PolarHBondContact O-N 2.83Å; V56-P77 PolarHBondContact N-O 2.79Å; V56-P77 VanDerWaalsContact N-O 3.17Å; V56-P77 VanDerWaalsContact O-CD 3.31Å; V56-P77 WeakPolarHBondContact O-CD 2.89Å; V56-P77 WeakPolarHBondContact O-CG 3.36Å; V56-E79 HydrophobicContact CG2-CB 3.62Å; V56-E79 HydrophobicContact CG2-CG 3.79Å
57E77.3Confident80.3Confident110 Ų11061.7 Ų61.751%0.51434%0.336SS..  trans-89.886.5168.8-70.6-178.7175.100109.8I33I33-E57 HydrophobicContact CB-CG 3.88Å; I33-E57 WeakPolarHBondContact CB-OE1 3.5Å; I33-E57 HydrophobicContact CD1-CG 3.86Å; I33-E57 HydrophobicContact CG1-CG 4.27Å; I33-E57 WeakPolarHBondContact CG1-OE1 3.37Å; I33-E57 HydrophobicContact CG2-CG 4.4Å
58D69.9Low79.7Confident109 Ų10969 Ų6958%0.58338%0.376SS*.  trans-98.89.1-178.1-86.9-12.5000113.1V56 T60 E61 P77V56-D58 VanDerWaalsContact CG1-OD1 3.24Å; V56-D58 WeakPolarHBondContact CG1-OD1 3.22Å; V56-D58 PolarHBondContact O-N 2.83Å; D58-T60 PolarHBondContact O-N 2.87Å; D58-E61 PolarHBondContact N-OE2 2.81Å; D58-P77 HydrophobicContact CB-CG 4.29Å
59G67Low79.3Confident62 Ų6273.5 Ų73.564%0.63940%0.396SS*.SBendtrans73.35.7-174.900000114E61G59-E61 VanDerWaalsContact CA-OE1 3.32Å; G59-E61 WeakPolarHBondContact CA-OE1 3.35Å; G59-E61 VanDerWaalsContact CA-OE2 3.25Å; G59-E61 WeakPolarHBondContact CA-OE2 3.41Å; G59-E61 PolarHBondContact N-OE1 2.76Å; G59-E61 PolarHBondContact N-OE2 2.84Å
60T73.4Confident79.1Confident67 Ų6773.6 Ų73.641%0.41140%0.398SS..  trans-101.9-4.3175.759.50000112.5D58D58-T60 PolarHBondContact O-N 2.87Å
61E81.3Confident79.2Confident70 Ų7073.7 Ų73.733%0.32740%0.397SS..  trans-61.1143.3172.464.1-73165.900111.4D58 G59 K75D58-E61 PolarHBondContact N-OE2 2.81Å; G59-E61 VanDerWaalsContact CA-OE1 3.32Å; G59-E61 WeakPolarHBondContact CA-OE1 3.35Å; G59-E61 VanDerWaalsContact CA-OE2 3.25Å; G59-E61 WeakPolarHBondContact CA-OE2 3.41Å; G59-E61 PolarHBondContact N-OE1 2.76Å; G59-E61 PolarHBondContact N-OE2 2.84Å; E61-K75 CarbonylContact C-O 3.4Å; E61-K75 WeakPolarHBondContact CA-O 3.4Å; E61-K75 WeakPolarHBondContact CB-O 3.14Å
62K81.1Confident79.4Confident147 Ų14773.5 Ų73.564%0.63940%0.396SS*.EExtended strand (participates in β ladder)trans-129.6116.4177.6-68.5-175.3-179.7179.20109.1K75K62-K75 HydrophobicContact CB-CB 4.49Å; K62-K75 PolarHBondContact N-O 3.19Å; K62-K75 PolarHBondContact O-N 3.17Å
63A84.4Confident79.7Confident57 Ų5771.6 Ų71.647%0.47138%0.383SS..EExtended strand (participates in β ladder)trans-99.6130.4168.600000109.5F72 T73 L74A63-F72 HydrophobicContact CB-CE2 3.89Å; A63-F72 HydrophobicContact CB-CZ 3.81Å; A63-T73 CarbonylContact C-O 3.6Å; A63-T73 WeakPolarHBondContact CA-O 3.4Å; A63-L74 HydrophobicContact CB-CD1 4.24Å
64T82.9Confident80Confident86 Ų8671.5 Ų71.553%0.52838%0.38SS..EExtended strand (participates in β ladder)trans-131.1136.2174.255.70000109.4T73T64-T73 PolarHBondContact N-O 3.32Å; T64-T73 PolarHBondContact O-N 2.82Å
65F82.9Confident80.3Confident45 Ų4568.9 Ų68.920%0.19737%0.373CS..EExtended strand (participates in β ladder)trans-115118.2175.9-177.5-117.8000110.2V21 T26 F29 I67 F72V21-F65 HydrophobicContact CG2-CE2 3.88Å; T26-F65 HydrophobicContact CG2-CB 4.1Å; T26-F65 HydrophobicContact CG2-CD1 3.74Å; T26-F65 HydrophobicContact CG2-CG 4.13Å; F29-F65 HydrophobicContact CE2-CB 4.22Å; F29-F65 HydrophobicContact CE2-CD1 4.34Å; F29-F65 AromaticContact CE2-CD2 3.98Å; F29-F65 HydrophobicContact CE2-CD2 3.98Å; F29-F65 HydrophobicContact CE2-CE2 4.46Å; F29-F65 AromaticContact CE2-CG 3.93Å; F29-F65 HydrophobicContact CE2-CG 3.93Å; F29-F65 HydrophobicContact CZ-CD1 4.48Å; F29-F65 AromaticContact CZ-CD2 3.92Å; F29-F65 HydrophobicContact CZ-CD2 3.92Å; F29-F65 HydrophobicContact CZ-CE1 4.46Å; F29-F65 AromaticContact CZ-CE2 3.94Å; F29-F65 HydrophobicContact CZ-CE2 3.94Å; F29-F65 HydrophobicContact CZ-CG 4.21Å; F29-F65 HydrophobicContact CZ-CZ 4.21Å; F65-I67 HydrophobicContact CD1-CG1 3.64Å; F65-I67 HydrophobicContact CE1-CB 4.29Å; F65-I67 HydrophobicContact CE1-CG1 3.68Å; F65-F72 HydrophobicContact CD2-CB 4.03Å
66D82.1Confident80.4Confident58 Ų5868.9 Ų68.931%0.3137%0.373SS..EExtended strand (participates in β ladder)trans-90.7100.1173.1-173.3-23.9000108.3D68 K69 G70 V71D66-D68 VanDerWaalsContact C-N 3.27Å; D66-D68 PolarHBondContact O-N 2.8Å; D66-D68 PolarHBondContact OD1-N 2.88Å; D66-D68 VanDerWaalsContact OD1-N 3.16Å; D66-K69 HydrophobicContact CB-CB 4.38Å; D66-K69 PolarHBondContact O-N 2.78Å; D66-K69 PolarHBondContact OD1-N 2.84Å; D66-K69 VanDerWaalsContact OD2-CD 3.31Å; D66-K69 WeakPolarHBondContact OD2-CD 3.31Å; D66-K69 IonicContact OD2-NZ 2.67Å; D66-K69 PolarHBondContact OD2-NZ 3.05Å; D66-G70 WeakPolarHBondContact O-CA 3.39Å; D66-G70 PolarHBondContact O-N 2.88Å; D66-V71 PolarHBondContact N-O 2.82Å; D66-V71 PolarHBondContact O-N 2.82Å
67I72.8Confident80.5Confident129 Ų12967.4 Ų67.466%0.66236%0.364SS*.THydrogen-bonded Turntrans-62-36.5-177.8-58.4171.3000110.9F65 K69 G70F65-I67 HydrophobicContact CD1-CG1 3.64Å; F65-I67 HydrophobicContact CE1-CB 4.29Å; F65-I67 HydrophobicContact CE1-CG1 3.68Å; I67-K69 PolarHBondContact O-N 2.88Å; I67-G70 PolarHBondContact O-N 3.35Å
68D71.4Confident81Confident155 Ų15562.6 Ų62.683%0.82934%0.342SS*.THydrogen-bonded Turntrans-71.4-33.4-175.9-68.8-34.6000111.8D66D66-D68 VanDerWaalsContact C-N 3.27Å; D66-D68 PolarHBondContact O-N 2.8Å; D66-D68 PolarHBondContact OD1-N 2.88Å; D66-D68 VanDerWaalsContact OD1-N 3.16Å
69K74.7Confident81.7Confident142 Ų14262.8 Ų62.862%0.61734%0.339SS*.THydrogen-bonded Turntrans-95.2-14.9177.3-64-177.6-167.6145.40113.6D66 I67 V71D66-K69 HydrophobicContact CB-CB 4.38Å; D66-K69 PolarHBondContact O-N 2.78Å; D66-K69 PolarHBondContact OD1-N 2.84Å; D66-K69 VanDerWaalsContact OD2-CD 3.31Å; D66-K69 WeakPolarHBondContact OD2-CD 3.31Å; D66-K69 IonicContact OD2-NZ 2.67Å; D66-K69 PolarHBondContact OD2-NZ 3.05Å; I67-K69 PolarHBondContact O-N 2.88Å; K69-V71 VanDerWaalsContact C-N 3.32Å; K69-V71 HydrophobicContact CB-CB 4.46Å; K69-V71 HydrophobicContact CB-CG2 3.98Å
70G78.4Confident82.4Confident3 Ų362.9 Ų62.93%0.03133%0.328CS..THydrogen-bonded Turntrans63.938.4-17300000112.1R20 V21 D66 I67R20-G70 CarbonylContact C-O 3.55Å; R20-G70 WeakPolarHBondContact CA-O 3.24Å; V21-G70 CarbonylContact C-O 3.47Å; V21-G70 PolarHBondContact N-O 2.75Å; D66-G70 WeakPolarHBondContact O-CA 3.39Å; D66-G70 PolarHBondContact O-N 2.88Å; I67-G70 PolarHBondContact O-N 3.35Å
71V84.9Confident82.8Confident35 Ų3569.4 Ų69.421%0.21235%0.345CS..EExtended strand (participates in β ladder)trans-118.9119.9-177.1-179.30000109.5C18 R20 D66 K69C18-V71 HydrophobicContact CB-CG1 4.41Å; R20-V71 HydrophobicContact CG-CG2 4.32Å; D66-V71 PolarHBondContact N-O 2.82Å; D66-V71 PolarHBondContact O-N 2.82Å; K69-V71 VanDerWaalsContact C-N 3.32Å; K69-V71 HydrophobicContact CB-CB 4.46Å; K69-V71 HydrophobicContact CB-CG2 3.98Å
72F87.3Confident82.5Confident5 Ų568.7 Ų68.72%0.02236%0.356CS..EExtended strand (participates in β ladder)trans-87.6129.6167.8178.1-97.3000109.1C18 I19 V21 F29 L31 F40 A63 F65 L74C18-F72 CarbonylContact C-O 3.57Å; C18-F72 WeakPolarHBondContact CA-O 3.31Å; I19-F72 HydrophobicContact CB-CB 4.43Å; I19-F72 HydrophobicContact CB-CD1 4.4Å; I19-F72 HydrophobicContact CD1-CD1 4.08Å; I19-F72 HydrophobicContact CG1-CD1 4.35Å; I19-F72 PolarHBondContact N-O 3.48Å; I19-F72 PolarHBondContact O-N 3.16Å; V21-F72 HydrophobicContact CG2-CB 3.94Å; F29-F72 HydrophobicContact CD2-CD2 4.11Å; F29-F72 HydrophobicContact CD2-CE2 4.19Å; F29-F72 AromaticContact CE2-CD2 3.98Å; F29-F72 HydrophobicContact CE2-CD2 3.98Å; F29-F72 HydrophobicContact CE2-CE2 4.49Å; L31-F72 HydrophobicContact CD1-CZ 3.83Å; L31-F72 HydrophobicContact CD2-CE1 3.9Å; L31-F72 HydrophobicContact CD2-CZ 3.92Å; L31-F72 HydrophobicContact CG-CZ 4.37Å; F40-F72 HydrophobicContact CD2-CD1 4.27Å; F40-F72 HydrophobicContact CD2-CE1 4.12Å; F40-F72 AromaticContact CE2-CD1 3.8Å; F40-F72 HydrophobicContact CE2-CD1 3.8Å; F40-F72 HydrophobicContact CE2-CD2 4.49Å; F40-F72 AromaticContact CE2-CE1 3.94Å; F40-F72 HydrophobicContact CE2-CE1 3.94Å; F40-F72 HydrophobicContact CE2-CG 4.1Å; F40-F72 HydrophobicContact CE2-CZ 4.38Å; F40-F72 HydrophobicContact CZ-CD1 4.43Å; F40-F72 HydrophobicContact CZ-CG 4.5Å; A63-F72 HydrophobicContact CB-CE2 3.89Å; A63-F72 HydrophobicContact CB-CZ 3.81Å; F65-F72 HydrophobicContact CD2-CB 4.03Å; F72-L74 HydrophobicContact CE1-CB 3.81Å; F72-L74 HydrophobicContact CZ-CB 4.29Å
73T87.8Confident82.6Confident28 Ų2865.6 Ų65.617%0.17234%0.344CS..EExtended strand (participates in β ladder)trans-124.9118.5178.7-57.50000109.2T16 I17 A63 T64T16-T73 HydrophobicContact CG2-CG2 3.64Å; I17-T73 CarbonylContact O-C 3.58Å; I17-T73 WeakPolarHBondContact O-CA 3.34Å; A63-T73 CarbonylContact C-O 3.6Å; A63-T73 WeakPolarHBondContact CA-O 3.4Å; T64-T73 PolarHBondContact N-O 3.32Å; T64-T73 PolarHBondContact O-N 2.82Å
74L88.8Confident82.5Confident3 Ų369.8 Ų69.82%0.01635%0.354CS..EExtended strand (participates in β ladder)trans-106.5126.4173.4175.868.1000109.7T16 I17 L31 I33 F38 A63 F72 A76T16-L74 CarbonylContact C-O 3.56Å; T16-L74 VanDerWaalsContact CA-O 3.3Å; T16-L74 WeakPolarHBondContact CA-O 3.46Å; I17-L74 HydrophobicContact CB-CB 4.45Å; I17-L74 HydrophobicContact CD1-CD2 4.42Å; I17-L74 PolarHBondContact N-O 2.92Å; I17-L74 PolarHBondContact O-N 2.78Å; L31-L74 HydrophobicContact CD2-CD2 4.27Å; I33-L74 HydrophobicContact CD1-CD2 4.22Å; F38-L74 HydrophobicContact CD2-CD2 4.18Å; F38-L74 HydrophobicContact CE2-CD2 3.32Å; F38-L74 HydrophobicContact CZ-CD2 3.89Å; A63-L74 HydrophobicContact CB-CD1 4.24Å; F72-L74 HydrophobicContact CE1-CB 3.81Å; F72-L74 HydrophobicContact CZ-CB 4.29Å; L74-A76 HydrophobicContact CG-CB 4.48Å
75K87.8Confident82.5Confident95 Ų9565.9 Ų65.941%0.41333%0.329SS..EExtended strand (participates in β ladder)trans-105.4105.9166.8-65.2-166.7173.5-164.70109L15 T16 E61 K62L15-K75 CarbonylContact O-C 3.5Å; L15-K75 WeakPolarHBondContact O-CA 3.43Å; T16-K75 HydrophobicContact CG2-CG 4.14Å; E61-K75 CarbonylContact C-O 3.4Å; E61-K75 WeakPolarHBondContact CA-O 3.4Å; E61-K75 WeakPolarHBondContact CB-O 3.14Å; K62-K75 HydrophobicContact CB-CB 4.49Å; K62-K75 PolarHBondContact N-O 3.19Å; K62-K75 PolarHBondContact O-N 3.17Å
76A88.1Confident82.2Confident0 Ų065.8 Ų65.80%034%0.341CS..EExtended strand (participates in β ladder)trans-105136.3177.700000110.4Y14 L15 I33 I55 L74Y14-A76 CarbonylContact C-O 3.6Å; Y14-A76 WeakPolarHBondContact CA-O 3.08Å; L15-A76 PolarHBondContact N-O 2.83Å; L15-A76 PolarHBondContact O-N 3.16Å; I33-A76 HydrophobicContact CD1-CB 4.38Å; I55-A76 HydrophobicContact CB-CB 4.34Å; I55-A76 HydrophobicContact CD1-CB 4.04Å; L74-A76 HydrophobicContact CG-CB 4.48Å
77P86.9Confident82Confident9 Ų965.1 Ų65.16%0.05835%0.348CS..EExtended strand (participates in β ladder)trans-71.8147.6176.130.7-34000111.3Y14 I55 V56 D58Y14-P77 HydrophobicContact CD1-CB 4.03Å; Y14-P77 HydrophobicContact CE1-CB 3.94Å; I55-P77 WeakPolarHBondContact CA-O 3.38Å; V56-P77 PolarHBondContact N-O 2.79Å; V56-P77 VanDerWaalsContact N-O 3.17Å; V56-P77 VanDerWaalsContact O-CD 3.31Å; V56-P77 WeakPolarHBondContact O-CD 2.89Å; V56-P77 WeakPolarHBondContact O-CG 3.36Å; D58-P77 HydrophobicContact CB-CG 4.29Å
78K87.5Confident82.2Confident9 Ų959.6 Ų59.64%0.03932%0.32CS..BIsolated β-bridgetrans-80.2142.7172.8-65175.2173.7173.80110.1D11 D13 T80 E83 F85D11-K78 WeakPolarHBondContact O-CE 3.32Å; D11-K78 PolarHBondContact O-NZ 3.41Å; D13-K78 PolarHBondContact O-N 3.4Å; D13-K78 VanDerWaalsContact O-N 3.08Å; K78-T80 VanDerWaalsContact C-N 3.26Å; K78-T80 PolarHBondContact O-N 2.76Å; K78-E83 WeakPolarHBondContact CD-O 3.22Å; K78-E83 WeakPolarHBondContact CE-O 3.46Å; K78-E83 PolarHBondContact NZ-O 3.3Å; K78-F85 HydrophobicContact CD-CD1 4.42Å; K78-F85 HydrophobicContact CD-CE1 3.93Å; K78-F85 HydrophobicContact CD-CZ 4.25Å; K78-F85 HydrophobicContact CG-CE1 4.07Å; K78-F85 HydrophobicContact CG-CZ 3.91Å
79E85Confident82.3Confident114 Ų11459.7 Ų59.753%0.53332%0.315SS..SBendtrans-59.5-42.1173.7-169.1174-17700111R54 V56R54-E79 HydrophobicContact CB-CB 4.1Å; R54-E79 WeakPolarHBondContact CB-OE2 3.29Å; R54-E79 WeakPolarHBondContact CD-OE2 3.43Å; R54-E79 PolarHBondContact O-N 3.35Å; R54-E79 VanDerWaalsContact O-N 3.08Å; V56-E79 HydrophobicContact CG2-CB 3.62Å; V56-E79 HydrophobicContact CG2-CG 3.79Å
80T81.1Confident82.3Confident64 Ų6458.5 Ų58.539%0.39331%0.314SS..SBendtrans-108.7101.1179.437.50000110.3K78 G82 E83K78-T80 VanDerWaalsContact C-N 3.26Å; K78-T80 PolarHBondContact O-N 2.76Å; T80-G82 PolarHBondContact O-N 3.35Å; T80-E83 WeakPolarHBondContact CB-OE2 3.49Å; T80-E83 WeakPolarHBondContact O-CB 3.43Å; T80-E83 PolarHBondContact O-N 2.88Å; T80-E83 VanDerWaalsContact O-N 3.1Å; T80-E83 WeakPolarHBondContact OG1-CB 3.28Å; T80-E83 PolarHBondContact OG1-OE2 3.16Å
81R81.8Confident82.1Confident203 Ų20360.4 Ų60.477%0.76632%0.323SS*.THydrogen-bonded Turntrans-60.4129.9176.5-65-172.3-177.9174.60.5111.1
82G75.9Confident81.5Confident56 Ų5663.5 Ų63.558%0.57734%0.342SS*.THydrogen-bonded Turntrans87.5-3.2-177.300000114.8P12 T80P12-G82 WeakPolarHBondContact O-CA 3.01Å; P12-G82 PolarHBondContact O-N 3.48Å; T80-G82 PolarHBondContact O-N 3.35Å
83E81.9Confident80.6Confident82 Ų8267.6 Ų67.638%0.38337%0.371SS..  trans-70.4130.3172.8-173.5171.5154.300110.6K78 T80 F85K78-E83 WeakPolarHBondContact CD-O 3.22Å; K78-E83 WeakPolarHBondContact CE-O 3.46Å; K78-E83 PolarHBondContact NZ-O 3.3Å; T80-E83 WeakPolarHBondContact CB-OE2 3.49Å; T80-E83 WeakPolarHBondContact O-CB 3.43Å; T80-E83 PolarHBondContact O-N 2.88Å; T80-E83 VanDerWaalsContact O-N 3.1Å; T80-E83 WeakPolarHBondContact OG1-CB 3.28Å; T80-E83 PolarHBondContact OG1-OE2 3.16Å; E83-F85 HydrophobicContact CB-CE1 4.44Å; E83-F85 HydrophobicContact CG-CD1 4.3Å; E83-F85 HydrophobicContact CG-CE1 4.24Å
84H82.6Confident79.9Confident145 Ų14566.6 Ų66.667%0.67136%0.364SS*.  trans-98.2117.4179.3179.8-78.8000110.4Q10 G86Q10-H84 PolarHBondContact NE2-NE2 2.82Å; H84-G86 PolarHBondContact O-N 3.26Å
85F83.9Confident79.2Confident3 Ų367 Ų671%0.01337%0.367CS..  trans-78.3113.1-178.7-72.819.3000109.1Q10 L15 P52 G53 I55 K78 E83 L88Q10-F85 PolarHBondContact NE2-O 3.22Å; L15-F85 HydrophobicContact CD1-CD2 4.12Å; L15-F85 HydrophobicContact CD2-CD2 4.26Å; L15-F85 HydrophobicContact CD2-CE2 4.11Å; P52-F85 HydrophobicContact CG-CB 3.79Å; P52-F85 HydrophobicContact CG-CD2 4.17Å; P52-F85 HydrophobicContact CG-CG 4.15Å; G53-F85 VanDerWaalsContact C-CZ 3.44Å; I55-F85 HydrophobicContact CG2-CE2 4.01Å; I55-F85 HydrophobicContact CG2-CZ 4.23Å; K78-F85 HydrophobicContact CD-CD1 4.42Å; K78-F85 HydrophobicContact CD-CE1 3.93Å; K78-F85 HydrophobicContact CD-CZ 4.25Å; K78-F85 HydrophobicContact CG-CE1 4.07Å; K78-F85 HydrophobicContact CG-CZ 3.91Å; E83-F85 HydrophobicContact CB-CE1 4.44Å; E83-F85 HydrophobicContact CG-CD1 4.3Å; E83-F85 HydrophobicContact CG-CE1 4.24Å; F85-L88 HydrophobicContact CB-CD1 4.18Å; F85-L88 HydrophobicContact CB-CD2 4.03Å; F85-L88 HydrophobicContact CB-CG 4.11Å
86G76.4Confident77.9Confident44 Ų4463.7 Ų63.745%0.45436%0.357SS..THydrogen-bonded Turntrans-75.6149.9178.100000112.1P52 H84 L88P52-G86 WeakPolarHBondContact CG-O 3.41Å; H84-G86 PolarHBondContact O-N 3.26Å; G86-L88 PolarHBondContact O-N 2.74Å
87G77.2Confident76.1Confident44 Ų4468.7 Ų68.745%0.45439%0.39SS..THydrogen-bonded Turntrans76.214.4168.800000116.4Q89 M90G87-Q89 PolarHBondContact O-N 2.79Å; G87-M90 WeakPolarHBondContact O-CB 3.26Å; G87-M90 PolarHBondContact O-N 2.9Å
88L76.9Confident74Confident12 Ų1277.3 Ų77.36%0.06343%0.426CS..THydrogen-bonded Turntrans-56.9-23.5177.4-66.7-177.5000114.4L8 Q10 L15 P52 F85 G86L8-L88 HydrophobicContact CB-CB 4.24Å; L8-L88 HydrophobicContact CB-CD1 4.44Å; L8-L88 HydrophobicContact CB-CD2 4.07Å; L8-L88 HydrophobicContact CB-CG 4.49Å; L8-L88 HydrophobicContact CD2-CD2 4.16Å; Q10-L88 HydrophobicContact CB-CD1 3.86Å; Q10-L88 HydrophobicContact CG-CD1 3.8Å; Q10-L88 VanDerWaalsContact NE2-CD1 3.31Å; L15-L88 HydrophobicContact CD1-CD1 3.91Å; L15-L88 HydrophobicContact CD1-CD2 4.13Å; P52-L88 HydrophobicContact CG-CD2 4.42Å; F85-L88 HydrophobicContact CB-CD1 4.18Å; F85-L88 HydrophobicContact CB-CD2 4.03Å; F85-L88 HydrophobicContact CB-CG 4.11Å; G86-L88 PolarHBondContact O-N 2.74Å
89Q72.8Confident71.8Confident158 Ų15879.3 Ų79.374%0.73845%0.449SS*.THydrogen-bonded Turntrans-80.4-16.6176.7-61.1-66.3-22.500113.1G87 L91G87-Q89 PolarHBondContact O-N 2.79Å; Q89-L91 VanDerWaalsContact C-N 3.27Å; Q89-L91 PolarHBondContact O-N 2.67Å; Q89-L91 VanDerWaalsContact O-N 3.12Å
90M75.6Confident69.4Low117 Ų11779.6 Ų79.658%0.57646%0.464SS*.  trans-89.265.3-179.7-60-64.2-74.500109.1G87 T92 S93 L94G87-M90 WeakPolarHBondContact O-CB 3.26Å; G87-M90 PolarHBondContact O-N 2.9Å; M90-T92 PolarHBondContact O-N 3.16Å; M90-T92 VanDerWaalsContact O-N 3.12Å; M90-S93 WeakPolarHBondContact O-CA 3.41Å; M90-S93 VanDerWaalsContact O-CB 3.29Å; M90-S93 WeakPolarHBondContact O-CB 3.49Å; M90-S93 PolarHBondContact O-N 3.27Å; M90-L94 PolarHBondContact O-N 3.23Å
91L74.3Confident67.2Low43 Ų4388.2 Ų88.223%0.22549%0.489CS..Hα-helixtrans-53.6-35.9-171.9-58.2174.9000113.2F6 L8 Q89 S93 L94 L95F6-L91 HydrophobicContact CD2-CD2 3.97Å; F6-L91 HydrophobicContact CE2-CB 4.13Å; F6-L91 HydrophobicContact CE2-CD2 3.55Å; F6-L91 HydrophobicContact CE2-CG 4.35Å; F6-L91 HydrophobicContact CZ-CB 3.88Å; F6-L91 HydrophobicContact CZ-CD2 4.19Å; F6-L91 WeakPolarHBondContact O-CD1 3.48Å; L8-L91 HydrophobicContact CD1-CD2 3.87Å; Q89-L91 VanDerWaalsContact C-N 3.27Å; Q89-L91 PolarHBondContact O-N 2.67Å; Q89-L91 VanDerWaalsContact O-N 3.12Å; L91-S93 VanDerWaalsContact C-N 3.28Å; L91-S93 PolarHBondContact O-N 3.33Å; L91-L94 HydrophobicContact CD2-CD1 4.46Å; L91-L94 PolarHBondContact O-N 3.28Å; L91-L95 PolarHBondContact O-N 3.34Å
92T72.4Confident64.7Low100 Ų10083.7 Ų83.761%0.61349%0.489SS*.Hα-helixtrans-65-27.4174.948.90000114M90 V139M90-T92 PolarHBondContact O-N 3.16Å; M90-T92 VanDerWaalsContact O-N 3.12Å; T92-V139 HydrophobicContact CG2-CB 4.48Å; T92-V139 HydrophobicContact CG2-CG2 3.58Å
93S68.7Low62.5Low90 Ų9085.3 Ų85.363%0.62950%0.497SS*.Hα-helixtrans-83.9-17.6177.7-1730000112.6M90 L91M90-S93 WeakPolarHBondContact O-CA 3.41Å; M90-S93 VanDerWaalsContact O-CB 3.29Å; M90-S93 WeakPolarHBondContact O-CB 3.49Å; M90-S93 PolarHBondContact O-N 3.27Å; L91-S93 VanDerWaalsContact C-N 3.28Å; L91-S93 PolarHBondContact O-N 3.33Å
94L71.6Confident60Low7 Ų790.7 Ų90.74%0.03752%0.519CS..Hα-helixtrans-89.6-21177.6-61.8173000111.8L8 L49 S50 M90 L91L8-L94 HydrophobicContact CD1-CD1 3.61Å; L49-L94 CarbonylContact C-O 3.57Å; L49-L94 VanDerWaalsContact CA-O 3.22Å; L49-L94 WeakPolarHBondContact CA-O 3.31Å; L49-L94 HydrophobicContact CD2-CB 4.34Å; S50-L94 PolarHBondContact N-O 3.38Å; M90-L94 PolarHBondContact O-N 3.23Å; L91-L94 HydrophobicContact CD2-CD1 4.46Å; L91-L94 PolarHBondContact O-N 3.28Å
95L75.1Confident57.4Low13 Ų1391.4 Ų91.47%0.06853%0.527CS..BIsolated β-bridgetrans-63.4136.7164.4-67.6174.1000108.2T3 F6 L47 L49 L91 Q137 V139T3-L95 HydrophobicContact CG2-CD2 4.17Å; F6-L95 HydrophobicContact CE1-CD2 4.1Å; F6-L95 HydrophobicContact CZ-CD2 4.22Å; F6-L95 HydrophobicContact CZ-CG 4.37Å; L47-L95 HydrophobicContact CD1-CD2 4Å; L49-L95 HydrophobicContact CD2-CD2 4.22Å; L91-L95 PolarHBondContact O-N 3.34Å; L95-Q137 HydrophobicContact CD2-CB 4.31Å; L95-V139 HydrophobicContact CD1-CB 4.48Å; L95-V139 HydrophobicContact CD1-CG2 3.3Å; L95-V139 HydrophobicContact CG-CG2 4.47Å
96A60.9Low55Low25 Ų2599.4 Ų99.421%0.20757%0.569CS.*PPolyproline II helixtrans-49.5138179.100000110.2R48R48-A96 HydrophobicContact CG-CB 4.29Å
97P50.3Low52.9Low105 Ų105102.5 Ų102.568%0.68258%0.579SS**PPolyproline II helixtrans-58.8147.8-168.521-31.2000111.9G99P97-G99 PolarHBondContact O-N 2.82Å
98K43Very low51Low190 Ų190108.9 Ų108.983%0.82660%0.597SS**PPolyproline II helixtrans-52.7128.1163.9-59.7-175.2178.4-169.10107.8S100K98-S100 PolarHBondContact O-N 3.12Å
99G40.7Very low48.8Very low51 Ų51115.2 Ų115.253%0.52663%0.631SS.*SBendtrans-41.6130.4160.900000108.7P97 R101P97-G99 PolarHBondContact O-N 2.82Å; G99-R101 PolarHBondContact O-N 2.89Å
100S34.4Very low46.8Very low120 Ų120116.4 Ų116.484%0.83964%0.638SS**SBendtrans-4898.3-167.840.20000113.4K98K98-S100 PolarHBondContact O-N 3.12Å
101R34.3Very low44.6Very low244 Ų244116.3 Ų116.392%0.92165%0.649SS**  trans-118.968.3157.9-80.8-176.5158.3178.3-3.3109.1G99 A103G99-R101 PolarHBondContact O-N 2.89Å; R101-A103 PolarHBondContact O-N 2.66Å
102S30.6Very low42.6Very low109 Ų109118.5 Ų118.576%0.76267%0.673SS**  trans-74.799.7154.7-176.40000106.6K104S102-K104 PolarHBondContact O-N 2.93Å
103A28.7Very low40.6Very low90 Ų90122.4 Ų122.474%0.74469%0.685SS**  trans-57.9105.2164.300000107.4R101 L105R101-A103 PolarHBondContact O-N 2.66Å; A103-L105 PolarHBondContact O-N 3.49Å
104K28.8Very low38.7Very low194 Ų194124.7 Ų124.784%0.84370%0.695SS**  trans-54.4112.5166.3-78.9178.7178.31710107.1S102 L106S102-K104 PolarHBondContact O-N 2.93Å; K104-L106 PolarHBondContact O-N 2.79Å; K104-L106 VanDerWaalsContact O-N 3.08Å
105L28Very low36.6Very low161 Ų161127.9 Ų127.984%0.84373%0.73SS**  trans-58.6108.4165.1-99.1145.7000107.4A103 V107A103-L105 PolarHBondContact O-N 3.49Å; L105-V107 VanDerWaalsContact C-N 3.34Å; L105-V107 PolarHBondContact O-N 3.12Å
106L34.9Very low34.5Very low171 Ų171133 Ų13390%0.89577%0.767SS**  trans-66.794.5168.2-76.1160.5000107.9K104K104-L106 PolarHBondContact O-N 2.79Å; K104-L106 VanDerWaalsContact O-N 3.08Å
107V32.4Very low33.1Very low109 Ų109140.9 Ų140.966%0.66180%0.799SS**  trans-103.9103.1159.7179.90000106L105 D109L105-V107 VanDerWaalsContact C-N 3.34Å; L105-V107 PolarHBondContact O-N 3.12Å; V107-D109 PolarHBondContact O-N 2.69Å
108E36Very low32.1Very low178 Ų178142.6 Ų142.683%0.83281%0.808SS**  trans-66.5109.1162.4-83.2-179.8140.100108.3
109D31.5Very low31.5Very low145 Ų145140.3 Ų140.378%0.77581%0.81SS**  trans-12795.3152.8-91-29.1000107.5V107 S111V107-D109 PolarHBondContact O-N 2.69Å; D109-S111 PolarHBondContact O-N 3.41Å
110M31Very low31Very low183 Ų183141.8 Ų141.890%0.90183%0.825SS**  trans-74.4113.3167.5-82-175.2146.500109.3
111S29.5Very low30.8Very low114 Ų114144 Ų14480%0.79783%0.827SS**  trans-132.4100.7159-630000109.5D109D109-S111 PolarHBondContact O-N 3.41Å
112A31.1Very low31Very low89 Ų89135.9 Ų135.974%0.73682%0.82SS**  trans36.4119.8148.900000121.8
113E30.1Very low31.1Very low183 Ų183138.7 Ų138.786%0.85582%0.821SS**  trans63.8113.8130.8-62.4-178.1172.600120.1
114T28.8Very low31.2Very low138 Ų138143.2 Ų143.285%0.84783%0.827SS**  176.312795.8-61.40000108.7
115G29.1Very low31.4Very low74 Ų74141.7 Ų141.776%0.76382%0.823SS**  trans-84.8173.5-168.600000116.9
116S30.6Very low31.5Very low121 Ų121141.8 Ų141.885%0.84682%0.819SS**  trans-161.3122.7140.9-1600000108.7
117E31.4Very low31.5Very low190 Ų190140.4 Ų140.489%0.88881%0.812SS**  trans-82.7128.3176.1-58.4173.7145.300109.4
118T29.7Very low31.8Very low140 Ų140143.7 Ų143.786%0.85982%0.821SS**  trans-141.3133.1147.747.80000110.2
119T30Very low31.9Very low142 Ų142143.6 Ų143.687%0.87182%0.82SS**  trans-69.2144.6-168.546.10000115.9
120G30.2Very low32.2Very low82 Ų82145.4 Ų145.485%0.84582%0.824SS**  trans94.470.6134.900000116.4
121D30Very low32.2Very low166 Ų166144 Ų14489%0.88881%0.813SS**  trans-101.7131.4163.3-139.18.4000108.5
122G37.7Very low32.7Very low75 Ų75142.5 Ų142.577%0.77380%0.796SS**  trans-162.545.7-173.200000110.5
123E33.4Very low33.1Very low167 Ų167148.9 Ų148.978%0.7880%0.801SS**  trans-115.8106.4154.7-67.9-175.6-179.600104.7E125E123-E125 PolarHBondContact O-N 3.25Å
124E32.1Very low33.7Very low186 Ų186144.8 Ų144.887%0.86978%0.782SS**  trans-63.387.4162.8-68.1176.8174.500105.4E126E124-E126 PolarHBondContact O-N 3.01Å
125E32.5Very low34.6Very low162 Ų162144.4 Ų144.476%0.75777%0.774SS**  trans-62.499.3150.5-67.5-144.416700104.2E123 D127E123-E125 PolarHBondContact O-N 3.25Å; E125-D127 PolarHBondContact O-N 3.49Å
126E30.1Very low35.5Very low162 Ų162149.3 Ų149.376%0.75778%0.777SS**  trans-51.297.1154.4-71.6178.7161.900104.5E124 E128E124-E126 PolarHBondContact O-N 3.01Å; E126-E128 PolarHBondContact O-N 2.76Å
127D35Very low36.2Very low142 Ų142145.5 Ų145.576%0.75975%0.746SS**  trans-51.194.4157.5-81.1-39.9000103.8E125 E129E125-D127 PolarHBondContact O-N 3.49Å; D127-E129 PolarHBondContact O-N 3.25Å
128E37.4Very low37Very low178 Ų178144 Ų14483%0.83274%0.739SS**  trans-60.481.1160.8-74.3-175.3172.400104.1E126 E130E126-E128 PolarHBondContact O-N 2.76Å; E128-E130 PolarHBondContact O-N 3.5Å
129E39.8Very low37.7Very low176 Ų176139.8 Ų139.882%0.82271%0.713SS**  trans-54.396.3161.1-75.9-172.3167.400104.1D127 F131D127-E129 PolarHBondContact O-N 3.25Å; E129-F131 VanDerWaalsContact C-N 3.33Å; E129-F131 WeakPolarHBondContact O-CA 3.27Å; E129-F131 PolarHBondContact O-N 3.21Å
130E37.7Very low38.4Very low184 Ų184136.2 Ų136.286%0.8668%0.684SS**  trans-44.2101.3176.8-173.7176.7-168.900106.5E128 D132E128-E130 PolarHBondContact O-N 3.5Å; E130-D132 PolarHBondContact O-N 3.14Å
131F29.9Very low39Very low153 Ų153137.8 Ų137.867%0.67168%0.678SS**  trans-65.1103.5-167.5-172.5-93.9000106.9E129 W133E129-F131 VanDerWaalsContact C-N 3.33Å; E129-F131 WeakPolarHBondContact O-CA 3.27Å; E129-F131 PolarHBondContact O-N 3.21Å; F131-W133 HydrophobicContact CD1-CD2 4.09Å; F131-W133 AromaticContact CD1-CE2 3.85Å; F131-W133 HydrophobicContact CD1-CG 4.3Å; F131-W133 HydrophobicContact CD1-CZ2 4.26Å; F131-W133 AromaticContact CD1-NE1 3.87Å; F131-W133 HydrophobicContact CE1-CD2 4.33Å; F131-W133 HydrophobicContact CE1-CE3 4.49Å; F131-W133 HydrophobicContact CE1-CZ2 4.49Å; F131-W133 PolarHBondContact O-N 3.21Å
132D40.5Very low39.7Very low82 Ų82135.4 Ų135.444%0.43967%0.665SS.*  trans-7296.8-172-168.514.9000108.6E130 Q134E130-D132 PolarHBondContact O-N 3.14Å; D132-Q134 VanDerWaalsContact CG-CD 3.43Å; D132-Q134 PolarHBondContact O-N 3.03Å; D132-Q134 WeakPolarHBondContact OD1-CB 3.47Å; D132-Q134 WeakPolarHBondContact OD1-CG 3.46Å; D132-Q134 PolarHBondContact OD1-NE2 3.27Å; D132-Q134 PolarHBondContact OD2-NE2 3.44Å
133W39.5Very low40.1Very low224 Ų224138.3 Ų138.385%0.84865%0.653SS**  trans-6615.4176.4-70.191.6000113F131 L135F131-W133 HydrophobicContact CD1-CD2 4.09Å; F131-W133 AromaticContact CD1-CE2 3.85Å; F131-W133 HydrophobicContact CD1-CG 4.3Å; F131-W133 HydrophobicContact CD1-CZ2 4.26Å; F131-W133 AromaticContact CD1-NE1 3.87Å; F131-W133 HydrophobicContact CE1-CD2 4.33Å; F131-W133 HydrophobicContact CE1-CE3 4.49Å; F131-W133 HydrophobicContact CE1-CZ2 4.49Å; F131-W133 PolarHBondContact O-N 3.21Å; W133-L135 PolarHBondContact O-N 2.87Å
134Q43.1Very low40.8Very low96 Ų96133.1 Ų133.145%0.44964%0.635SS.*  trans-79.4110.3-178.6-71.9171.955.800111.4D132 E136D132-Q134 VanDerWaalsContact CG-CD 3.43Å; D132-Q134 PolarHBondContact O-N 3.03Å; D132-Q134 WeakPolarHBondContact OD1-CB 3.47Å; D132-Q134 WeakPolarHBondContact OD1-CG 3.46Å; D132-Q134 PolarHBondContact OD1-NE2 3.27Å; D132-Q134 PolarHBondContact OD2-NE2 3.44Å; Q134-E136 PolarHBondContact O-N 2.7Å
135L46.3Very low41.8Very low130 Ų130132.9 Ų132.968%0.68163%0.633SS**  trans-62.2124.3169.2-77.9158.9000110.6W133 Q137W133-L135 PolarHBondContact O-N 2.87Å; L135-Q137 PolarHBondContact O-N 3.11Å
136E49Very low42.6Very low178 Ų178133.1 Ų133.183%0.83263%0.634SS**  trans-62.1121.9178.5-68.6-173.4156.500111.4Q134Q134-E136 PolarHBondContact O-N 2.7Å
137Q45.2Very low43.8Very low41 Ų41131.7 Ų131.719%0.19263%0.626CS.*  trans-91.8115.9174.9-70.5-178-13.500110.2R48 L95 L135R48-Q137 PolarHBondContact O-OE1 3.47Å; L95-Q137 HydrophobicContact CD2-CB 4.31Å; L135-Q137 PolarHBondContact O-N 3.11Å
138E47.3Very low44.8Very low157 Ų157127.5 Ų127.573%0.73460%0.603SS**PPolyproline II helixtrans-91.9141.1168.5-65.3-165.415800110.9T3 Y140T3-E138 WeakPolarHBondContact CB-O 2.96Å; T3-E138 PolarHBondContact OG1-O 2.93Å; E138-Y140 PolarHBondContact O-N 3.36Å
139V44.9Very low45.7Very low52 Ų52121.8 Ų121.832%0.31559%0.592SS.*PPolyproline II helixtrans-66.8128.7173.9175.70000109.6T92 L95 T141T92-V139 HydrophobicContact CG2-CB 4.48Å; T92-V139 HydrophobicContact CG2-CG2 3.58Å; L95-V139 HydrophobicContact CD1-CB 4.48Å; L95-V139 HydrophobicContact CD1-CG2 3.3Å; L95-V139 HydrophobicContact CG-CG2 4.47Å; V139-T141 PolarHBondContact O-N 2.98Å; V139-T141 VanDerWaalsContact O-N 3.14Å
140Y45.1Very low46.8Very low67 Ų67118.8 Ų118.826%0.26359%0.586SS.*PPolyproline II helixtrans-55.8117.1170.3175.1-96.8000110.8A5 E138 D142 R166A5-Y140 HydrophobicContact CB-CD1 3.92Å; E138-Y140 PolarHBondContact O-N 3.36Å; Y140-D142 HydrophobicContact CE1-CB 4.25Å; Y140-D142 WeakPolarHBondContact CE1-OD1 3.42Å; Y140-D142 VanDerWaalsContact CZ-OD1 3.26Å; Y140-D142 PolarHBondContact OH-OD1 3.43Å; Y140-R166 PolarHBondContact OH-NH2 3.28Å
141T43.1Very low48.3Very low116 Ų116111.6 Ų111.671%0.71255%0.552SS**PPolyproline II helixtrans-102.2119.2168.821.30000108.9V139 R143V139-T141 PolarHBondContact O-N 2.98Å; V139-T141 VanDerWaalsContact O-N 3.14Å; T141-R143 PolarHBondContact O-N 3Å; T141-R143 VanDerWaalsContact O-N 3.09Å
142D43.6Very low50.7Low115 Ų115107.3 Ų107.362%0.61554%0.535SS*.PPolyproline II helixtrans-55.4118.2170.8-98.5-35.6000108.9Y140 S144Y140-D142 HydrophobicContact CE1-CB 4.25Å; Y140-D142 WeakPolarHBondContact CE1-OD1 3.42Å; Y140-D142 VanDerWaalsContact CZ-OD1 3.26Å; Y140-D142 PolarHBondContact OH-OD1 3.43Å; D142-S144 PolarHBondContact O-N 3.26Å
143R47.1Very low52.8Low137 Ų137108.7 Ų108.752%0.51754%0.537SS..PPolyproline II helixtrans-69125.1175.6-72.7-176.3167.5-172.9-4.3108.1T141 L148 M151 E181T141-R143 PolarHBondContact O-N 3Å; T141-R143 VanDerWaalsContact O-N 3.09Å; R143-L148 HydrophobicContact CB-CD1 4.13Å; R143-L148 WeakPolarHBondContact O-CD1 3.21Å; R143-M151 VanDerWaalsContact NH1-CE 3.26Å; R143-E181 IonicContact NH1-OE2 3.74Å
144S47.9Very low55.1Low58 Ų5898 Ų9841%0.40650%0.496SS..PPolyproline II helixtrans-55.5144179.656.10000111.7D142 E146 K147 L148D142-S144 PolarHBondContact O-N 3.26Å; S144-E146 PolarHBondContact O-N 3.37Å; S144-K147 PolarHBondContact O-N 3.41Å; S144-L148 PolarHBondContact O-N 3.42Å
145E52.2Low57.2Low180 Ų18093.6 Ų93.684%0.84148%0.476SS*.Hα-helixtrans-53.5-30.6179.9-66.9-174.5159.500112.8K147 L148 G149E145-K147 PolarHBondContact O-N 3.22Å; E145-L148 PolarHBondContact O-N 2.97Å; E145-G149 PolarHBondContact O-N 2.8Å
146E49.2Very low59.2Low167 Ų16787.4 Ų87.478%0.7844%0.444SS*.Hα-helixtrans-63.6-35.5175.3-66.6-179.8164.900113.2S144 G149S144-E146 PolarHBondContact O-N 3.37Å; E146-G149 PolarHBondContact O-N 3.13Å
147K55.6Low60.8Low133 Ų13379.1 Ų79.158%0.57841%0.406SS*.Hα-helixtrans-75.9-29.2174.7-72.3-178.1179-1790112.3S144 E145 G149 T150 M151S144-K147 PolarHBondContact O-N 3.41Å; E145-K147 PolarHBondContact O-N 3.22Å; K147-G149 VanDerWaalsContact C-N 3.32Å; K147-T150 PolarHBondContact O-OG1 2.86Å; K147-M151 VanDerWaalsContact O-CG 3.32Å; K147-M151 WeakPolarHBondContact O-CG 3.14Å
148L56.3Low62.6Low54 Ų5478.8 Ų78.828%0.28341%0.405SS..Hα-helixtrans-72.1-27.9172.1-88.4102.3000112.5R143 S144 E145R143-L148 HydrophobicContact CB-CD1 4.13Å; R143-L148 WeakPolarHBondContact O-CD1 3.21Å; S144-L148 PolarHBondContact O-N 3.42Å; E145-L148 PolarHBondContact O-N 2.97Å
149G56.3Low64.3Low58 Ų5875 Ų7560%0.59839%0.387SS*.Hα-helixtrans-71.3-27.3178.300000114.2E145 E146 K147E145-G149 PolarHBondContact O-N 2.8Å; E146-G149 PolarHBondContact O-N 3.13Å; K147-G149 VanDerWaalsContact C-N 3.32Å
150T62.8Low66.1Low112 Ų11275.8 Ų75.869%0.68739%0.385SS*.SBendtrans-85.8-13.3177.554.30000113.5K147K147-T150 PolarHBondContact O-OG1 2.86Å
151M70.3Confident67.7Low33 Ų3373.7 Ų73.716%0.16338%0.38CS..SBendtrans-77.8150.1-178.9-74.3176.114800112.8R143 K147 K153 E181R143-M151 VanDerWaalsContact NH1-CE 3.26Å; K147-M151 VanDerWaalsContact O-CG 3.32Å; K147-M151 WeakPolarHBondContact O-CG 3.14Å; M151-K153 PolarHBondContact O-N 2.71Å; M151-E181 HydrophobicContact CE-CB 4.17Å; M151-E181 VanDerWaalsContact CE-OE2 3.23Å; M151-E181 WeakPolarHBondContact CE-OE2 3.4Å; M151-E181 HydrophobicContact CG-CB 4.48Å; M151-E181 HydrophobicContact SD-CB 4.44Å; M151-E181 HydrophobicContact SD-CG 4.49Å
152Q80.3Confident69Low64 Ų6468.7 Ų68.730%0.29935%0.351SS..PPolyproline II helixtrans-70.2132172.4-61.7-58.5-4600110.1E181 T183 L184Q152-E181 PolarHBondContact N-O 3.25Å; Q152-T183 WeakPolarHBondContact CG-O 3.38Å; Q152-L184 HydrophobicContact CG-CD2 4.42Å
153K84.4Confident70.3Confident110 Ų11064.1 Ų64.148%0.47833%0.328SS..PPolyproline II helixtrans-87.8159.3-178.8-57.8-175.8-176.4179.90111.4M151 N158 R160M151-K153 PolarHBondContact O-N 2.71Å; K153-N158 HydrophobicContact CB-CB 4.23Å; K153-N158 VanDerWaalsContact CB-O 3.25Å; K153-N158 WeakPolarHBondContact CB-O 3.32Å; K153-N158 VanDerWaalsContact CD-O 3.23Å; K153-N158 WeakPolarHBondContact CD-O 3.38Å; K153-R160 CarbonylContact C-O 3.58Å; K153-R160 VanDerWaalsContact CA-O 3.3Å; K153-R160 WeakPolarHBondContact CA-O 3.49Å
154Y86.9Confident71.4Confident0 Ų058.2 Ų58.20%031%0.306CS..BIsolated β-bridgetrans-156.1-168.3178.248.6-100.3000109.3N158 Q159 R160 G162 V163 F164 E181 L308 L378Y154-N158 CarbonylContact O-C 3.58Å; Y154-N158 WeakPolarHBondContact O-CA 3.42Å; Y154-Q159 PolarHBondContact O-N 2.76Å; Y154-R160 HydrophobicContact CD2-CB 4.05Å; Y154-R160 HydrophobicContact CE2-CB 3.95Å; Y154-R160 PolarHBondContact N-O 2.7Å; Y154-R160 WeakPolarHBondContact O-CB 3.49Å; Y154-R160 PolarHBondContact O-N 2.84Å; Y154-G162 PolarHBondContact OH-N 3.22Å; Y154-G162 VanDerWaalsContact OH-N 3.11Å; Y154-V163 HydrophobicContact CE2-CB 4.24Å; Y154-V163 HydrophobicContact CE2-CG2 4.32Å; Y154-V163 WeakPolarHBondContact OH-CB 3.18Å; Y154-V163 PolarHBondContact OH-N 3.4Å; Y154-F164 HydrophobicContact CD1-CD2 4.26Å; Y154-F164 HydrophobicContact CD1-CE2 4.08Å; Y154-F164 HydrophobicContact CD2-CD2 4.34Å; Y154-F164 AromaticContact CD2-CE2 3.69Å; Y154-F164 HydrophobicContact CD2-CE2 3.69Å; Y154-F164 AromaticContact CE1-CD2 3.57Å; Y154-F164 HydrophobicContact CE1-CD2 3.57Å; Y154-F164 AromaticContact CE1-CE2 3.81Å; Y154-F164 HydrophobicContact CE1-CE2 3.81Å; Y154-F164 AromaticContact CE2-CD2 3.68Å; Y154-F164 HydrophobicContact CE2-CD2 3.68Å; Y154-F164 AromaticContact CE2-CE2 3.4Å; Y154-F164 HydrophobicContact CE2-CE2 3.4Å; Y154-F164 VanDerWaalsContact CE2-CE2 3.4Å; Y154-F164 HydrophobicContact CG-CE2 4.04Å; Y154-F164 AromaticContact CZ-CD2 3.25Å; Y154-F164 AromaticContact CZ-CE2 3.48Å; Y154-F164 VanDerWaalsContact CZ-CE2 3.48Å; Y154-F164 WeakPolarHBondContact OH-CD2 3.19Å; Y154-F164 PolarHBondContact OH-N 2.96Å; Y154-E181 HydrophobicContact CE1-CG 3.72Å; Y154-E181 PolarHBondContact OH-OE1 3.39Å; Y154-L308 HydrophobicContact CD1-CD1 4.28Å; Y154-L308 HydrophobicContact CG-CD1 4.02Å; Y154-L378 HydrophobicContact CD2-CD2 4.31Å; Y154-L378 HydrophobicContact CE2-CD2 4.03Å
155G86.8Confident72.2Confident3 Ų357.5 Ų57.53%0.03131%0.307CS..SBendtrans78.1-171.8-178.600000112.6A157 N158 L378 Y379G155-A157 PolarHBondContact O-N 2.82Å; G155-A157 VanDerWaalsContact O-N 3.11Å; G155-N158 PolarHBondContact O-N 2.86Å; G155-L378 CarbonylContact C-O 3.48Å; G155-L378 WeakPolarHBondContact CA-O 3.33Å; G155-Y379 PolarHBondContact N-OH 2.95Å; G155-Y379 WeakPolarHBondContact O-CE1 3.17Å
156F88.4Confident72.9Confident1 Ų153.4 Ų53.40%0.00428%0.284CS..G310 helixtrans-49.1120.2176.3176.2-94.3000111N158 Q159 F258 L260 A268 L378 D382 Y383 W386F156-N158 PolarHBondContact O-N 3.32Å; F156-Q159 WeakPolarHBondContact O-CB 3.33Å; F156-Q159 WeakPolarHBondContact O-CG 3.44Å; F156-Q159 PolarHBondContact O-N 3.26Å; F156-Q159 VanDerWaalsContact O-N 3.1Å; F156-F258 HydrophobicContact CD1-CD1 4.09Å; F156-F258 HydrophobicContact CD1-CE1 4.05Å; F156-F258 HydrophobicContact CE1-CB 4.37Å; F156-F258 AromaticContact CE1-CD1 3.56Å; F156-F258 HydrophobicContact CE1-CD1 3.56Å; F156-F258 HydrophobicContact CE1-CD2 4.39Å; F156-F258 AromaticContact CE1-CE1 3.85Å; F156-F258 HydrophobicContact CE1-CE1 3.85Å; F156-F258 AromaticContact CE1-CG 3.85Å; F156-F258 HydrophobicContact CE1-CG 3.85Å; F156-F258 HydrophobicContact CE1-CZ 4.38Å; F156-F258 HydrophobicContact CZ-CD1 4.45Å; F156-F258 HydrophobicContact CZ-CG 4.38Å; F156-L260 HydrophobicContact CE1-CD1 4.3Å; F156-L260 HydrophobicContact CE1-CD2 4.44Å; F156-L260 HydrophobicContact CZ-CD1 4.21Å; F156-A268 HydrophobicContact CE2-CB 4.47Å; F156-L378 PolarHBondContact N-O 3.47Å; F156-D382 HydrophobicContact CB-CB 3.67Å; F156-D382 HydrophobicContact CD1-CB 3.85Å; F156-D382 HydrophobicContact CD2-CB 3.87Å; F156-D382 HydrophobicContact CG-CB 3.5Å; F156-Y383 AromaticContact CD2-CD1 3.79Å; F156-Y383 HydrophobicContact CD2-CD1 3.79Å; F156-Y383 AromaticContact CD2-CD2 3.99Å; F156-Y383 HydrophobicContact CD2-CD2 3.99Å; F156-Y383 AromaticContact CD2-CE1 3.6Å; F156-Y383 HydrophobicContact CD2-CE1 3.6Å; F156-Y383 AromaticContact CD2-CE2 3.85Å; F156-Y383 HydrophobicContact CD2-CE2 3.85Å; F156-Y383 AromaticContact CD2-CG 3.92Å; F156-Y383 HydrophobicContact CD2-CG 3.92Å; F156-Y383 AromaticContact CD2-CZ 3.6Å; F156-Y383 AromaticContact CE2-CD1 3.56Å; F156-Y383 HydrophobicContact CE2-CD1 3.56Å; F156-Y383 AromaticContact CE2-CE1 3.44Å; F156-Y383 HydrophobicContact CE2-CE1 3.44Å; F156-Y383 VanDerWaalsContact CE2-CE1 3.44Å; F156-Y383 HydrophobicContact CE2-CG 4.1Å; F156-Y383 AromaticContact CE2-CZ 3.94Å; F156-W386 HydrophobicContact CE2-CB 3.9Å; F156-W386 HydrophobicContact CE2-CD2 4.18Å; F156-W386 HydrophobicContact CE2-CE3 4.38Å; F156-W386 AromaticContact CE2-CG 3.99Å; F156-W386 HydrophobicContact CE2-CG 3.99Å; F156-W386 HydrophobicContact CZ-CB 3.66Å; F156-W386 AromaticContact CZ-CD1 3.79Å; F156-W386 HydrophobicContact CZ-CD2 4Å; F156-W386 AromaticContact CZ-CG 3.54Å; F156-W386 HydrophobicContact CZ-CG 3.54Å
157A83.8Confident73.8Confident3 Ų345.7 Ų45.73%0.02525%0.248CC..G310 helixtrans49.831.6179.400000114.9G155 Q159 L260 A268G155-A157 PolarHBondContact O-N 2.82Å; G155-A157 VanDerWaalsContact O-N 3.11Å; A157-Q159 VanDerWaalsContact C-N 3.28Å; A157-Q159 HydrophobicContact CB-CG 4.26Å; A157-Q159 PolarHBondContact O-N 2.91Å; A157-L260 HydrophobicContact CB-CD1 4.21Å; A157-L260 HydrophobicContact CB-CD2 3.63Å; A157-A268 HydrophobicContact CB-CB 4.23Å
158N82.9Confident74.3Confident34 Ų3444.6 Ų44.618%0.18225%0.245CC..G310 helixtrans5538-177.1-66.9-44.8000114.1K153 Y154 G155 F156 Q267 T310K153-N158 HydrophobicContact CB-CB 4.23Å; K153-N158 VanDerWaalsContact CB-O 3.25Å; K153-N158 WeakPolarHBondContact CB-O 3.32Å; K153-N158 VanDerWaalsContact CD-O 3.23Å; K153-N158 WeakPolarHBondContact CD-O 3.38Å; Y154-N158 CarbonylContact O-C 3.58Å; Y154-N158 WeakPolarHBondContact O-CA 3.42Å; G155-N158 PolarHBondContact O-N 2.86Å; F156-N158 PolarHBondContact O-N 3.32Å; N158-Q267 PolarHBondContact ND2-OE1 3.28Å; N158-T310 WeakPolarHBondContact ND2-CG2 3.44Å; N158-T310 WeakPolarHBondContact OD1-CG2 3.36Å
159Q83.3Confident74.8Confident77 Ų7748.6 Ų48.636%0.3626%0.262SS..  trans-96.2-10.2-178-63.5-169-8.800114.6Y154 F156 A157Y154-Q159 PolarHBondContact O-N 2.76Å; F156-Q159 WeakPolarHBondContact O-CB 3.33Å; F156-Q159 WeakPolarHBondContact O-CG 3.44Å; F156-Q159 PolarHBondContact O-N 3.26Å; F156-Q159 VanDerWaalsContact O-N 3.1Å; A157-Q159 VanDerWaalsContact C-N 3.28Å; A157-Q159 HydrophobicContact CB-CG 4.26Å; A157-Q159 PolarHBondContact O-N 2.91Å
160R81.4Confident75.3Confident70 Ų7046.9 Ų46.926%0.26424%0.239SC..BIsolated β-bridgetrans-104.3144.3-175.8-55.8-65.9-178.6-134.1-4.9110.9K153 Y154 L378 D382K153-R160 CarbonylContact C-O 3.58Å; K153-R160 VanDerWaalsContact CA-O 3.3Å; K153-R160 WeakPolarHBondContact CA-O 3.49Å; Y154-R160 HydrophobicContact CD2-CB 4.05Å; Y154-R160 HydrophobicContact CE2-CB 3.95Å; Y154-R160 PolarHBondContact N-O 2.7Å; Y154-R160 WeakPolarHBondContact O-CB 3.49Å; Y154-R160 PolarHBondContact O-N 2.84Å; R160-L378 HydrophobicContact CB-CD2 4.33Å; R160-L378 HydrophobicContact CG-CD2 4.34Å; R160-D382 IonicContact CZ-OD2 3.35Å; R160-D382 IonicContact NE-OD2 3.06Å; R160-D382 IonicContact NH2-OD1 3.8Å; R160-D382 IonicContact NH2-OD2 3.71Å; R160-D382 PolarHBondContact NH2-OD2 3.01Å
161S79.4Confident75.7Confident23 Ų2341.7 Ų41.716%0.16121%0.207CC..  trans-155.4160.516856.50000109.2V163S161-V163 PolarHBondContact O-N 3.43Å
162G69.8Low75.8Confident10 Ų1043.7 Ų43.710%0.10322%0.224CC..SBendtrans79.56.5176.900000116.5Y154 E181Y154-G162 PolarHBondContact OH-N 3.22Å; Y154-G162 VanDerWaalsContact OH-N 3.11Å; G162-E181 WeakPolarHBondContact CA-OE1 3.3Å; G162-E181 PolarHBondContact N-OE1 2.94Å
163V72.3Confident75.6Confident20 Ų2045.9 Ų45.912%0.12124%0.238CC..SBendtrans-82.3-38.7177.8-173.60000111.6Y154 S161 R166 L167 E181 L378Y154-V163 HydrophobicContact CE2-CB 4.24Å; Y154-V163 HydrophobicContact CE2-CG2 4.32Å; Y154-V163 WeakPolarHBondContact OH-CB 3.18Å; Y154-V163 PolarHBondContact OH-N 3.4Å; S161-V163 PolarHBondContact O-N 3.43Å; V163-R166 PolarHBondContact O-N 2.84Å; V163-R166 VanDerWaalsContact O-N 3.12Å; V163-L167 HydrophobicContact CG1-CD1 4.15Å; V163-L167 PolarHBondContact O-N 3.28Å; V163-L167 VanDerWaalsContact O-N 3.1Å; V163-E181 PolarHBondContact N-OE1 2.74Å; V163-E181 VanDerWaalsContact N-OE1 3.12Å; V163-L378 HydrophobicContact CB-CD2 4.31Å; V163-L378 HydrophobicContact CG1-CD2 4.22Å; V163-L378 HydrophobicContact CG2-CD2 4.07Å
164F70.1Confident75.4Confident13 Ų1340.7 Ų40.76%0.05722%0.215CC..THydrogen-bonded Turntrans-73-30.7-176.9-73.1-94.6000112.9Y154 R166 Q168 L171 I175 P180 E181 L308 L378Y154-F164 HydrophobicContact CD1-CD2 4.26Å; Y154-F164 HydrophobicContact CD1-CE2 4.08Å; Y154-F164 HydrophobicContact CD2-CD2 4.34Å; Y154-F164 AromaticContact CD2-CE2 3.69Å; Y154-F164 HydrophobicContact CD2-CE2 3.69Å; Y154-F164 AromaticContact CE1-CD2 3.57Å; Y154-F164 HydrophobicContact CE1-CD2 3.57Å; Y154-F164 AromaticContact CE1-CE2 3.81Å; Y154-F164 HydrophobicContact CE1-CE2 3.81Å; Y154-F164 AromaticContact CE2-CD2 3.68Å; Y154-F164 HydrophobicContact CE2-CD2 3.68Å; Y154-F164 AromaticContact CE2-CE2 3.4Å; Y154-F164 HydrophobicContact CE2-CE2 3.4Å; Y154-F164 VanDerWaalsContact CE2-CE2 3.4Å; Y154-F164 HydrophobicContact CG-CE2 4.04Å; Y154-F164 AromaticContact CZ-CD2 3.25Å; Y154-F164 AromaticContact CZ-CE2 3.48Å; Y154-F164 VanDerWaalsContact CZ-CE2 3.48Å; Y154-F164 WeakPolarHBondContact OH-CD2 3.19Å; Y154-F164 PolarHBondContact OH-N 2.96Å; F164-R166 PolarHBondContact O-N 3.21Å; F164-R166 VanDerWaalsContact O-N 3.13Å; F164-Q168 WeakPolarHBondContact O-CA 2.87Å; F164-Q168 WeakPolarHBondContact O-CB 3.16Å; F164-Q168 PolarHBondContact O-N 3.49Å; F164-L171 HydrophobicContact CB-CD1 4.43Å; F164-L171 HydrophobicContact CD1-CB 3.67Å; F164-L171 HydrophobicContact CD1-CD1 3.35Å; F164-L171 HydrophobicContact CD1-CG 4.05Å; F164-L171 HydrophobicContact CD2-CD1 4.39Å; F164-L171 HydrophobicContact CE1-CB 3.67Å; F164-L171 HydrophobicContact CE1-CD1 3.56Å; F164-L171 HydrophobicContact CE1-CD2 4.06Å; F164-L171 HydrophobicContact CE1-CG 3.96Å; F164-L171 HydrophobicContact CG-CD1 3.8Å; F164-L171 HydrophobicContact CZ-CD1 4.11Å; F164-L171 HydrophobicContact CZ-CD2 4.46Å; F164-I175 HydrophobicContact CE1-CB 4.42Å; F164-I175 HydrophobicContact CE1-CD1 3.43Å; F164-I175 VanDerWaalsContact CE1-CD1 3.43Å; F164-I175 HydrophobicContact CE1-CG1 4.46Å; F164-I175 HydrophobicContact CE1-CG2 4.36Å; F164-I175 HydrophobicContact CZ-CD1 3.29Å; F164-P180 HydrophobicContact CB-CG 3.76Å; F164-P180 HydrophobicContact CD1-CG 3.31Å; F164-P180 HydrophobicContact CD2-CB 4.17Å; F164-P180 HydrophobicContact CD2-CG 3.39Å; F164-P180 HydrophobicContact CE1-CG 3.64Å; F164-P180 HydrophobicContact CE2-CB 4.22Å; F164-P180 HydrophobicContact CE2-CG 3.77Å; F164-P180 HydrophobicContact CG-CB 4.39Å; F164-P180 HydrophobicContact CG-CG 3.19Å; F164-P180 HydrophobicContact CZ-CB 4.45Å; F164-P180 HydrophobicContact CZ-CG 3.9Å; F164-E181 HydrophobicContact CB-CG 4.43Å; F164-E181 PolarHBondContact N-OE1 3.32Å; F164-L308 HydrophobicContact CE1-CD1 4.43Å; F164-L308 HydrophobicContact CE2-CD1 3.68Å; F164-L308 HydrophobicContact CZ-CD1 3.56Å; F164-L308 HydrophobicContact CZ-CD2 4.34Å; F164-L308 HydrophobicContact CZ-CG 4.49Å; F164-L378 HydrophobicContact CE2-CD1 4.46Å; F164-L378 HydrophobicContact CZ-CD1 4.34Å
165G64.9Low75.5Confident42 Ų4241 Ų4143%0.43322%0.217SC..THydrogen-bonded Turntrans-62.7-15.2171.300000113.8
166R66.3Low75.6Confident94 Ų9443 Ų4336%0.35523%0.227SC..THydrogen-bonded Turntrans-98.5-49.1176.9-60.9176.5-178169.20.7111I2 Y140 V163 F164I2-R166 WeakPolarHBondContact CD1-O 3.25Å; I2-R166 WeakPolarHBondContact CG1-O 3.24Å; Y140-R166 PolarHBondContact OH-NH2 3.28Å; V163-R166 PolarHBondContact O-N 2.84Å; V163-R166 VanDerWaalsContact O-N 3.12Å; F164-R166 PolarHBondContact O-N 3.21Å; F164-R166 VanDerWaalsContact O-N 3.13Å
167L67.5Low75.5Confident6 Ų643.5 Ų43.53%0.03123%0.23CC..SBendtrans-104.732.7-170.5-61.4172.1000113.5I2 P44 V163 E169 E170 L171 I374I2-L167 HydrophobicContact CD1-CD2 4.22Å; P44-L167 HydrophobicContact CG-CD2 3.58Å; V163-L167 HydrophobicContact CG1-CD1 4.15Å; V163-L167 PolarHBondContact O-N 3.28Å; V163-L167 VanDerWaalsContact O-N 3.1Å; L167-E169 VanDerWaalsContact C-N 3.33Å; L167-E169 PolarHBondContact O-N 3.13Å; L167-E170 PolarHBondContact O-N 3.07Å; L167-L171 HydrophobicContact CB-CD1 3.66Å; L167-L171 HydrophobicContact CB-CG 4.04Å; L167-L171 VanDerWaalsContact O-CB 3.31Å; L167-L171 WeakPolarHBondContact O-CB 3.04Å; L167-L171 WeakPolarHBondContact O-CG 3.12Å; L167-L171 PolarHBondContact O-N 3.21Å; L167-I374 HydrophobicContact CB-CD1 4.41Å; L167-I374 HydrophobicContact CD1-CD1 4Å; L167-I374 HydrophobicContact CD1-CG1 4.33Å; L167-I374 HydrophobicContact CD1-CG2 4.22Å
168Q66.2Low75.3Confident110 Ų11052.4 Ų52.451%0.51427%0.268SS..Hα-helixtrans-58.3-41-169.8-166.7171.87.600113.6F164 S172F164-Q168 WeakPolarHBondContact O-CA 2.87Å; F164-Q168 WeakPolarHBondContact O-CB 3.16Å; F164-Q168 PolarHBondContact O-N 3.49Å; Q168-S172 WeakPolarHBondContact O-CB 3.41Å; Q168-S172 PolarHBondContact O-N 3.48Å; Q168-S172 PolarHBondContact O-OG 2.98Å
169E66.7Low75.2Confident137 Ų13754.2 Ų54.264%0.6428%0.278SS*.Hα-helixtrans-66.2-37.3-179.4-68.4171.7-179.600112.7M1 L167 S172M1-E169 PolarHBondContact N-OE1 3.28Å; M1-E169 PolarHBondContact N-OE2 3.17Å; L167-E169 VanDerWaalsContact C-N 3.33Å; L167-E169 PolarHBondContact O-N 3.13Å; E169-S172 PolarHBondContact O-OG 3.32Å
170E67.1Low75.1Confident23 Ų2350.8 Ų50.811%0.10726%0.262CS..Hα-helixtrans-82-33.4179.5-65.6179.7171.400111.6P44 L167 V174 Y373 I374P44-E170 WeakPolarHBondContact CB-OE1 3.44Å; L167-E170 PolarHBondContact O-N 3.07Å; E170-V174 WeakPolarHBondContact O-CG2 3.5Å; E170-Y373 PolarHBondContact OE2-OH 3.32Å; E170-I374 HydrophobicContact CB-CD1 3.97Å
171L70.1Confident75.1Confident2 Ų248.2 Ų48.21%0.0125%0.253CS..Hα-helixtrans-79.6-23.6-177.8-72.8169.9000113.3F164 L167 D173 V174 I175 I374F164-L171 HydrophobicContact CB-CD1 4.43Å; F164-L171 HydrophobicContact CD1-CB 3.67Å; F164-L171 HydrophobicContact CD1-CD1 3.35Å; F164-L171 HydrophobicContact CD1-CG 4.05Å; F164-L171 HydrophobicContact CD2-CD1 4.39Å; F164-L171 HydrophobicContact CE1-CB 3.67Å; F164-L171 HydrophobicContact CE1-CD1 3.56Å; F164-L171 HydrophobicContact CE1-CD2 4.06Å; F164-L171 HydrophobicContact CE1-CG 3.96Å; F164-L171 HydrophobicContact CG-CD1 3.8Å; F164-L171 HydrophobicContact CZ-CD1 4.11Å; F164-L171 HydrophobicContact CZ-CD2 4.46Å; L167-L171 HydrophobicContact CB-CD1 3.66Å; L167-L171 HydrophobicContact CB-CG 4.04Å; L167-L171 VanDerWaalsContact O-CB 3.31Å; L167-L171 WeakPolarHBondContact O-CB 3.04Å; L167-L171 WeakPolarHBondContact O-CG 3.12Å; L167-L171 PolarHBondContact O-N 3.21Å; L171-D173 PolarHBondContact O-N 3.03Å; L171-V174 PolarHBondContact O-N 3.45Å; L171-V174 VanDerWaalsContact O-N 3.1Å; L171-I175 HydrophobicContact CD2-CD1 4.26Å; L171-I175 PolarHBondContact O-N 3.29Å; L171-I374 HydrophobicContact CD2-CB 3.93Å; L171-I374 HydrophobicContact CD2-CD1 3.64Å; L171-I374 HydrophobicContact CD2-CG1 4.4Å; L171-I374 HydrophobicContact CD2-CG2 3.73Å; L171-I374 HydrophobicContact CG-CD1 3.83Å
172S72.4Confident75.3Confident75 Ų7554.1 Ų54.152%0.52428%0.278SS..THydrogen-bonded Turntrans-61.8-27.9173.754.80000112.8Q168 E169 V174Q168-S172 WeakPolarHBondContact O-CB 3.41Å; Q168-S172 PolarHBondContact O-N 3.48Å; Q168-S172 PolarHBondContact O-OG 2.98Å; E169-S172 PolarHBondContact O-OG 3.32Å; S172-V174 VanDerWaalsContact C-N 3.32Å
173D76.8Confident75.9Confident110 Ų11055.3 Ų55.359%0.58828%0.283SS*.THydrogen-bonded Turntrans-85.3-8.6178.6-66.7-10.3000112.7L171 R299L171-D173 PolarHBondContact O-N 3.03Å; D173-R299 PolarHBondContact O-NH1 3.06Å; D173-R299 PolarHBondContact O-NH2 3.34Å
174V81.3Confident76.6Confident1 Ų157.9 Ų57.91%0.00630%0.296CS..THydrogen-bonded Turntrans-105.3-36.6-177.3-173.30000111.9E170 L171 S172 P371 L375E170-V174 WeakPolarHBondContact O-CG2 3.5Å; L171-V174 PolarHBondContact O-N 3.45Å; L171-V174 VanDerWaalsContact O-N 3.1Å; S172-V174 VanDerWaalsContact C-N 3.32Å; V174-P371 VanDerWaalsContact CG2-C 3.47Å; V174-P371 HydrophobicContact CG2-CB 3.56Å; V174-P371 HydrophobicContact CG2-CG 4.47Å; V174-P371 WeakPolarHBondContact CG2-O 3.17Å; V174-L375 HydrophobicContact CG1-CD1 3.61Å; V174-L375 HydrophobicContact CG1-CD2 4.07Å; V174-L375 HydrophobicContact CG1-CG 3.76Å
175I87.5Confident77.4Confident6 Ų659.1 Ų59.13%0.03131%0.309CS..  trans-124.2138.9-164.9-70.5175.3000109.8F164 L171 V177 C306 L308 L375F164-I175 HydrophobicContact CE1-CB 4.42Å; F164-I175 HydrophobicContact CE1-CD1 3.43Å; F164-I175 VanDerWaalsContact CE1-CD1 3.43Å; F164-I175 HydrophobicContact CE1-CG1 4.46Å; F164-I175 HydrophobicContact CE1-CG2 4.36Å; F164-I175 HydrophobicContact CZ-CD1 3.29Å; L171-I175 HydrophobicContact CD2-CD1 4.26Å; L171-I175 PolarHBondContact O-N 3.29Å; I175-V177 VanDerWaalsContact C-N 3.34Å; I175-V177 HydrophobicContact CG2-CB 3.92Å; I175-V177 HydrophobicContact CG2-CG2 4.34Å; I175-C306 VanDerWaalsContact CG2-O 3.3Å; I175-C306 WeakPolarHBondContact CG2-O 3.3Å; I175-L308 HydrophobicContact CD1-CD2 3.89Å; I175-L308 HydrophobicContact CD1-CG 4.36Å; I175-L308 HydrophobicContact CG2-CD1 4.47Å; I175-L308 HydrophobicContact CG2-CG 4.34Å; I175-L375 HydrophobicContact CD1-CD2 4.27Å
176D88.6Confident78.5Confident47 Ų4761 Ų6125%0.25132%0.315SS..SBendtrans-84.4-13.6-176-66.1-27.5000112.5K178 K300 C306 W307 R324D176-K178 PolarHBondContact O-N 2.97Å; D176-K300 VanDerWaalsContact CG-NZ 3.31Å; D176-K300 IonicContact OD1-NZ 3.59Å; D176-K300 PolarHBondContact OD1-NZ 3.13Å; D176-K300 IonicContact OD2-NZ 2.74Å; D176-K300 PolarHBondContact OD2-NZ 2.69Å; D176-C306 PolarHBondContact N-O 2.95Å; D176-W307 HydrophobicContact CB-CD2 4.06Å; D176-W307 VanDerWaalsContact CB-CE2 3.42Å; D176-W307 HydrophobicContact CB-CG 4.45Å; D176-W307 HydrophobicContact CB-CH2 4.34Å; D176-W307 HydrophobicContact CB-CZ2 3.61Å; D176-W307 PolarHBondContact OD2-NE1 3.3Å; D176-R324 IonicContact OD2-NH2 2.7Å
177V86.8Confident79.6Confident11 Ų1160.1 Ų60.17%0.06732%0.315CS..  trans-81.2115.9174.8-174.80000110.1I175 P180 T183 R188 W307I175-V177 VanDerWaalsContact C-N 3.34Å; I175-V177 HydrophobicContact CG2-CB 3.92Å; I175-V177 HydrophobicContact CG2-CG2 4.34Å; V177-P180 HydrophobicContact CB-CB 4.41Å; V177-P180 HydrophobicContact CG1-CB 3.95Å; V177-T183 WeakPolarHBondContact CG1-OG1 3.33Å; V177-R188 HydrophobicContact CG1-CG 4.31Å; V177-R188 HydrophobicContact CG2-CG 4.25Å; V177-W307 HydrophobicContact CG2-CB 4.46Å; V177-W307 HydrophobicContact CG2-CD2 4.21Å; V177-W307 HydrophobicContact CG2-CE3 3.54Å; V177-W307 HydrophobicContact CG2-CZ3 4.1Å; V177-W307 VanDerWaalsContact CG2-O 3.31Å; V177-W307 WeakPolarHBondContact CG2-O 3.25Å
178K79.7Confident80.8Confident190 Ų19060.1 Ų60.183%0.82632%0.315SS*.SBendtrans-59.8-52.1178.8-62.3-177179.4-179.30113.2D176D176-K178 PolarHBondContact O-N 2.97Å
179N81.8Confident82Confident72 Ų7258.5 Ų58.539%0.38530%0.304SS..  trans-128.279.6-176.4-72-3.9000111.1E181 E182 T183N179-E181 VanDerWaalsContact C-N 3.28Å; N179-E181 PolarHBondContact O-N 3.07Å; N179-E182 HydrophobicContact CB-CB 4.48Å; N179-E182 PolarHBondContact O-N 3.42Å; N179-T183 WeakPolarHBondContact O-CB 3.45Å; N179-T183 WeakPolarHBondContact O-CG2 3.22Å; N179-T183 PolarHBondContact O-N 2.99Å; N179-T183 PolarHBondContact O-OG1 3.36Å
180P80.7Confident83.2Confident4 Ų459.9 Ų59.93%0.02630%0.303CS..THydrogen-bonded Turntrans-68.2-24-173.325.2-33.4000114.2F164 V177 T183 R188 L308F164-P180 HydrophobicContact CB-CG 3.76Å; F164-P180 HydrophobicContact CD1-CG 3.31Å; F164-P180 HydrophobicContact CD2-CB 4.17Å; F164-P180 HydrophobicContact CD2-CG 3.39Å; F164-P180 HydrophobicContact CE1-CG 3.64Å; F164-P180 HydrophobicContact CE2-CB 4.22Å; F164-P180 HydrophobicContact CE2-CG 3.77Å; F164-P180 HydrophobicContact CG-CB 4.39Å; F164-P180 HydrophobicContact CG-CG 3.19Å; F164-P180 HydrophobicContact CZ-CB 4.45Å; F164-P180 HydrophobicContact CZ-CG 3.9Å; V177-P180 HydrophobicContact CB-CB 4.41Å; V177-P180 HydrophobicContact CG1-CB 3.95Å; P180-T183 WeakPolarHBondContact CA-OG1 3.38Å; P180-R188 PolarHBondContact O-NH2 3.35Å; P180-L308 HydrophobicContact CB-CD1 3.35Å; P180-L308 HydrophobicContact CG-CD1 4.13Å
181E81.8Confident84.5Confident16 Ų1660.5 Ų60.58%0.07531%0.312CS..THydrogen-bonded Turntrans-77.8-21.3-179.6-73.9176.6-176.200113.7R143 M151 Q152 Y154 G162 V163 F164 N179R143-E181 IonicContact NH1-OE2 3.74Å; M151-E181 HydrophobicContact CE-CB 4.17Å; M151-E181 VanDerWaalsContact CE-OE2 3.23Å; M151-E181 WeakPolarHBondContact CE-OE2 3.4Å; M151-E181 HydrophobicContact CG-CB 4.48Å; M151-E181 HydrophobicContact SD-CB 4.44Å; M151-E181 HydrophobicContact SD-CG 4.49Å; Q152-E181 PolarHBondContact N-O 3.25Å; Y154-E181 HydrophobicContact CE1-CG 3.72Å; Y154-E181 PolarHBondContact OH-OE1 3.39Å; G162-E181 WeakPolarHBondContact CA-OE1 3.3Å; G162-E181 PolarHBondContact N-OE1 2.94Å; V163-E181 PolarHBondContact N-OE1 2.74Å; V163-E181 VanDerWaalsContact N-OE1 3.12Å; F164-E181 HydrophobicContact CB-CG 4.43Å; F164-E181 PolarHBondContact N-OE1 3.32Å; N179-E181 VanDerWaalsContact C-N 3.28Å; N179-E181 PolarHBondContact O-N 3.07Å
182E82.9Confident85.7Confident147 Ų14760.9 Ų60.969%0.68731%0.313SS*.THydrogen-bonded Turntrans-108-23.1-177.8-62.8-179.1166.600112.8N179N179-E182 HydrophobicContact CB-CB 4.48Å; N179-E182 PolarHBondContact O-N 3.42Å
183T83.1Confident86.7Confident35 Ų3560.2 Ų60.222%0.21530%0.304CS..SBendtrans-82.3129-179.144.10000112.3Q152 V177 N179 P180 R188Q152-T183 WeakPolarHBondContact CG-O 3.38Å; V177-T183 WeakPolarHBondContact CG1-OG1 3.33Å; N179-T183 WeakPolarHBondContact O-CB 3.45Å; N179-T183 WeakPolarHBondContact O-CG2 3.22Å; N179-T183 PolarHBondContact O-N 2.99Å; N179-T183 PolarHBondContact O-OG1 3.36Å; P180-T183 WeakPolarHBondContact CA-OG1 3.38Å; T183-R188 PolarHBondContact O-NE 3.09Å; T183-R188 PolarHBondContact O-NH2 3.41Å
184L87.1Confident87.6Confident75 Ų7561 Ų6139%0.39330%0.304SS..  trans-69.2152.9176.5-63.4168.9000111.1Q152 S186 E187 R188Q152-L184 HydrophobicContact CG-CD2 4.42Å; L184-S186 PolarHBondContact O-N 3.04Å; L184-E187 HydrophobicContact CB-CB 4.4Å; L184-E187 HydrophobicContact CB-CG 4.07Å; L184-E187 PolarHBondContact N-OE2 3.29Å; L184-E187 WeakPolarHBondContact O-CB 3.47Å; L184-E187 PolarHBondContact O-N 2.95Å; L184-R188 WeakPolarHBondContact O-CG 3.33Å; L184-R188 PolarHBondContact O-N 3.26Å
185A85.9Confident88.3Confident38 Ų3862.5 Ų62.531%0.31432%0.316SS..Hα-helixtrans-56.9-35.8178.600000113.3R189A185-R189 PolarHBondContact O-N 3.01Å; A185-R189 VanDerWaalsContact O-N 3.12Å
186S88.1Confident88.7Confident82 Ų8262.2 Ų62.257%0.57332%0.315SS*.Hα-helixtrans-68.3-37.5175.350.30000112.7L184 R189 R190L184-S186 PolarHBondContact O-N 3.04Å; S186-R189 PolarHBondContact O-N 2.83Å; S186-R190 PolarHBondContact O-N 2.89Å
187E90.1Very high89Confident75 Ų7562.7 Ų62.735%0.3533%0.326SS..Hα-helixtrans-69.4-41.5177.1-66174153.400111.1L184 R189 R190 A191L184-E187 HydrophobicContact CB-CB 4.4Å; L184-E187 HydrophobicContact CB-CG 4.07Å; L184-E187 PolarHBondContact N-OE2 3.29Å; L184-E187 WeakPolarHBondContact O-CB 3.47Å; L184-E187 PolarHBondContact O-N 2.95Å; E187-R189 VanDerWaalsContact C-N 3.33Å; E187-R189 PolarHBondContact O-N 3.35Å; E187-R190 PolarHBondContact O-N 3.49Å; E187-A191 WeakPolarHBondContact O-CB 3.48Å; E187-A191 PolarHBondContact O-N 3.01Å
188R91.8Very high89.4Confident7 Ų768.9 Ų68.93%0.02636%0.358CS..Hα-helixtrans-57-46.9172.8-64.5-177.7-157.6158.63.3111.1V177 P180 T183 L184 A191 R192 W307 L308V177-R188 HydrophobicContact CG1-CG 4.31Å; V177-R188 HydrophobicContact CG2-CG 4.25Å; P180-R188 PolarHBondContact O-NH2 3.35Å; T183-R188 PolarHBondContact O-NE 3.09Å; T183-R188 PolarHBondContact O-NH2 3.41Å; L184-R188 WeakPolarHBondContact O-CG 3.33Å; L184-R188 PolarHBondContact O-N 3.26Å; R188-A191 PolarHBondContact O-N 2.82Å; R188-R192 WeakPolarHBondContact O-CB 3.3Å; R188-R192 PolarHBondContact O-N 2.64Å; R188-W307 WeakPolarHBondContact CD-O 3.26Å; R188-L308 PolarHBondContact NH1-O 3.11Å
189R90.9Very high90.2Very high75 Ų7561.6 Ų61.628%0.28333%0.333SS..Hα-helixtrans-60.2-46.9176.8179.4175.8-68.7177.94.2112.2A185 S186 E187 R192 L193 E309 T310A185-R189 PolarHBondContact O-N 3.01Å; A185-R189 VanDerWaalsContact O-N 3.12Å; S186-R189 PolarHBondContact O-N 2.83Å; E187-R189 VanDerWaalsContact C-N 3.33Å; E187-R189 PolarHBondContact O-N 3.35Å; R189-R192 WeakPolarHBondContact O-CB 3.49Å; R189-R192 PolarHBondContact O-N 3.28Å; R189-L193 HydrophobicContact CG-CD1 4.22Å; R189-L193 WeakPolarHBondContact O-CG 3.19Å; R189-L193 PolarHBondContact O-N 2.95Å; R189-E309 IonicContact CZ-OE1 3.57Å; R189-E309 IonicContact NE-OE1 2.81Å; R189-E309 PolarHBondContact NE-OE1 3.07Å; R189-E309 IonicContact NH2-OE1 3.53Å; R189-T310 PolarHBondContact NH2-O 3.47Å; R189-T310 VanDerWaalsContact NH2-O 3.14Å
190R93Very high91Very high166 Ų16660 Ų6063%0.62632%0.322SS*.Hα-helixtrans-61.2-48.6179.3179.3176.759.3134.3-1.9111.6S186 E187 R192 L193 E194S186-R190 PolarHBondContact O-N 2.89Å; E187-R190 PolarHBondContact O-N 3.49Å; R190-R192 VanDerWaalsContact C-N 3.29Å; R190-R192 PolarHBondContact O-N 3.23Å; R190-L193 PolarHBondContact O-N 2.95Å; R190-E194 PolarHBondContact O-N 3.22Å; R190-E194 VanDerWaalsContact O-N 3.08Å
191A94Very high91.8Very high36 Ų3661.9 Ų61.930%0.29834%0.336SS..Hα-helixtrans-63.4-36.1178.900000112E187 R188 A195 W307E187-A191 WeakPolarHBondContact O-CB 3.48Å; E187-A191 PolarHBondContact O-N 3.01Å; R188-A191 PolarHBondContact O-N 2.82Å; A191-A195 WeakPolarHBondContact O-CB 3.34Å; A191-A195 PolarHBondContact O-N 3Å; A191-W307 HydrophobicContact CB-CH2 3.85Å; A191-W307 HydrophobicContact CB-CZ3 3.55Å
192R94.8Very high92.5Very high10 Ų1063.1 Ų63.14%0.03835%0.346CS..Hα-helixtrans-60.4-51.2172.3-178.4-179.664.284.7-6.4112R188 R189 R190 E194 A195 E196 W307 E309 S320R188-R192 WeakPolarHBondContact O-CB 3.3Å; R188-R192 PolarHBondContact O-N 2.64Å; R189-R192 WeakPolarHBondContact O-CB 3.49Å; R189-R192 PolarHBondContact O-N 3.28Å; R190-R192 VanDerWaalsContact C-N 3.29Å; R190-R192 PolarHBondContact O-N 3.23Å; R192-E194 VanDerWaalsContact C-N 3.28Å; R192-E194 PolarHBondContact O-N 3.24Å; R192-A195 PolarHBondContact O-N 3.28Å; R192-E196 VanDerWaalsContact CD-OE1 3.22Å; R192-E196 WeakPolarHBondContact CD-OE1 3.39Å; R192-E196 HydrophobicContact CG-CG 4.3Å; R192-E196 WeakPolarHBondContact CG-OE1 3.16Å; R192-E196 IonicContact CZ-OE1 2.89Å; R192-E196 IonicContact NE-OE1 3.89Å; R192-E196 IonicContact NH1-OE1 3.88Å; R192-E196 PolarHBondContact NH1-OE1 3.13Å; R192-E196 IonicContact NH1-OE2 3.1Å; R192-E196 PolarHBondContact NH1-OE2 3.12Å; R192-E196 WeakPolarHBondContact O-CB 3.37Å; R192-E196 WeakPolarHBondContact O-CG 3.37Å; R192-E196 PolarHBondContact O-N 3.14Å; R192-W307 HydrophobicContact CB-CD2 3.52Å; R192-W307 HydrophobicContact CB-CE3 3.82Å; R192-W307 HydrophobicContact CB-CG 3.82Å; R192-W307 HydrophobicContact CB-CZ2 4.28Å; R192-W307 HydrophobicContact CB-CZ3 4.33Å; R192-W307 HydrophobicContact CG-CD2 3.91Å; R192-W307 HydrophobicContact CG-CG 3.77Å; R192-E309 IonicContact CZ-OE2 3.85Å; R192-E309 IonicContact NE-OE1 2.71Å; R192-E309 IonicContact NE-OE2 3.62Å; R192-E309 PolarHBondContact NE-OE2 3.43Å; R192-E309 IonicContact NH2-OE1 3.22Å; R192-E309 PolarHBondContact NH2-OE1 3.23Å; R192-E309 IonicContact NH2-OE2 3.64Å; R192-E309 PolarHBondContact NH2-OE2 2.99Å; R192-S320 PolarHBondContact NH1-OG 2.89Å
193L94.6Very high93.1Very high62 Ų6261.9 Ų61.933%0.32534%0.344SS..Hα-helixtrans-60.4-40.5-178.2-71.1171.3000111.5R189 R190 E196 A197 R323R189-L193 HydrophobicContact CG-CD1 4.22Å; R189-L193 WeakPolarHBondContact O-CG 3.19Å; R189-L193 PolarHBondContact O-N 2.95Å; R190-L193 PolarHBondContact O-N 2.95Å; L193-E196 PolarHBondContact O-N 2.96Å; L193-A197 WeakPolarHBondContact O-CB 3.44Å; L193-A197 PolarHBondContact O-N 3.36Å; L193-R323 PolarHBondContact O-NH2 2.98Å
194E95.2Very high93.7Very high125 Ų12563 Ų6358%0.58435%0.347SS*.Hα-helixtrans-63.3-47.1174.2-174.9176.1-171.900111.7R190 R192 E196 A197 L198R190-E194 PolarHBondContact O-N 3.22Å; R190-E194 VanDerWaalsContact O-N 3.08Å; R192-E194 VanDerWaalsContact C-N 3.28Å; R192-E194 PolarHBondContact O-N 3.24Å; E194-E196 VanDerWaalsContact C-N 3.33Å; E194-E196 PolarHBondContact O-N 3.19Å; E194-A197 PolarHBondContact O-N 3.09Å; E194-L198 HydrophobicContact CG-CD1 4.28Å; E194-L198 VanDerWaalsContact O-CG 3.3Å; E194-L198 WeakPolarHBondContact O-CG 3.37Å; E194-L198 PolarHBondContact O-N 2.84Å
195A95.4Very high94.1Very high33 Ų3359.5 Ų59.527%0.27333%0.328SS..Hα-helixtrans-63.5-36.5177.600000113A191 R192 A199 W307A191-A195 WeakPolarHBondContact O-CB 3.34Å; A191-A195 PolarHBondContact O-N 3Å; R192-A195 PolarHBondContact O-N 3.28Å; A195-A199 VanDerWaalsContact O-CB 3.26Å; A195-A199 WeakPolarHBondContact O-CB 3.31Å; A195-A199 PolarHBondContact O-N 3.13Å; A195-W307 HydrophobicContact CB-CH2 4.28Å; A195-W307 HydrophobicContact CB-CZ2 3.72Å
196E96.1Very high94.6Very high0 Ų059.2 Ų59.20%032%0.322CS..Hα-helixtrans-69.1-42.3175.3-75.4168.7-17300111.9R192 L193 E194 L198 A199 F200 R323 R324 C327 Y328R192-E196 VanDerWaalsContact CD-OE1 3.22Å; R192-E196 WeakPolarHBondContact CD-OE1 3.39Å; R192-E196 HydrophobicContact CG-CG 4.3Å; R192-E196 WeakPolarHBondContact CG-OE1 3.16Å; R192-E196 IonicContact CZ-OE1 2.89Å; R192-E196 IonicContact NE-OE1 3.89Å; R192-E196 IonicContact NH1-OE1 3.88Å; R192-E196 PolarHBondContact NH1-OE1 3.13Å; R192-E196 IonicContact NH1-OE2 3.1Å; R192-E196 PolarHBondContact NH1-OE2 3.12Å; R192-E196 WeakPolarHBondContact O-CB 3.37Å; R192-E196 WeakPolarHBondContact O-CG 3.37Å; R192-E196 PolarHBondContact O-N 3.14Å; L193-E196 PolarHBondContact O-N 2.96Å; E194-E196 VanDerWaalsContact C-N 3.33Å; E194-E196 PolarHBondContact O-N 3.19Å; E196-L198 VanDerWaalsContact C-N 3.28Å; E196-L198 PolarHBondContact O-N 3.49Å; E196-A199 PolarHBondContact O-N 2.85Å; E196-F200 PolarHBondContact O-N 2.81Å; E196-R323 IonicContact OE2-CZ 2.95Å; E196-R323 IonicContact OE2-NE 3.58Å; E196-R323 PolarHBondContact OE2-NE 3.01Å; E196-R323 IonicContact OE2-NH2 3.3Å; E196-R324 HydrophobicContact CG-CG 4.26Å; E196-R324 WeakPolarHBondContact OE1-CD 3.23Å; E196-R324 WeakPolarHBondContact OE1-CG 3.49Å; E196-R324 IonicContact OE1-CZ 3.37Å; E196-R324 IonicContact OE1-NH1 2.89Å; E196-R324 PolarHBondContact OE1-NH1 2.94Å; E196-C327 PolarHBondContact O-SG 3.1Å; E196-Y328 HydrophobicContact CG-CE2 3.99Å; E196-Y328 WeakPolarHBondContact CG-OH 3.46Å
197A95.1Very high94.9Very high58 Ų5857.1 Ų57.148%0.47931%0.309SS..Hα-helixtrans-62.4-37.417600000111.7L193 E194L193-A197 WeakPolarHBondContact O-CB 3.44Å; L193-A197 PolarHBondContact O-N 3.36Å; E194-A197 PolarHBondContact O-N 3.09Å
198L96.3Very high95.1Very high141 Ų14154.6 Ų54.674%0.73830%0.298SS*.Hα-helixtrans-72.5-31.5175.1-69.8170.3000113.3E194 E196E194-L198 HydrophobicContact CG-CD1 4.28Å; E194-L198 VanDerWaalsContact O-CG 3.3Å; E194-L198 WeakPolarHBondContact O-CG 3.37Å; E194-L198 PolarHBondContact O-N 2.84Å; E196-L198 VanDerWaalsContact C-N 3.28Å; E196-L198 PolarHBondContact O-N 3.49Å
199A96.4Very high95.3Very high36 Ų3655.5 Ų55.530%0.29830%0.304SS..Hα-helixtrans-82.4-22.7-179.600000113.2A195 E196 S201 C327 Y328A195-A199 VanDerWaalsContact O-CB 3.26Å; A195-A199 WeakPolarHBondContact O-CB 3.31Å; A195-A199 PolarHBondContact O-N 3.13Å; E196-A199 PolarHBondContact O-N 2.85Å; A199-S201 PolarHBondContact O-N 3.33Å; A199-C327 HydrophobicContact CB-CB 4.27Å; A199-Y328 HydrophobicContact CB-CD1 4.22Å; A199-Y328 HydrophobicContact CB-CE1 3.52Å
200F97.6Very high95.3Very high39 Ų3956.4 Ų56.417%0.17131%0.309CS..  trans-62.8130.6178-178.4-110.6000110.7E196 Y205 L326 L414 L416 L419E196-F200 PolarHBondContact O-N 2.81Å; F200-Y205 HydrophobicContact CE2-CG 4.34Å; F200-Y205 HydrophobicContact CZ-CG 4.39Å; F200-L326 HydrophobicContact CE2-CB 4.46Å; F200-L414 HydrophobicContact CB-CD2 4.08Å; F200-L414 HydrophobicContact CD1-CD2 4.1Å; F200-L414 HydrophobicContact CD2-CD1 3.87Å; F200-L414 HydrophobicContact CD2-CD2 4.18Å; F200-L414 HydrophobicContact CD2-CG 4.48Å; F200-L414 HydrophobicContact CE1-CB 4.38Å; F200-L414 HydrophobicContact CE2-CB 4.46Å; F200-L414 HydrophobicContact CE2-CD1 4.01Å; F200-L414 HydrophobicContact CG-CD1 4.4Å; F200-L414 HydrophobicContact CG-CD2 3.85Å; F200-L414 HydrophobicContact CZ-CB 4.28Å; F200-L416 HydrophobicContact CE2-CD2 4.04Å; F200-L416 HydrophobicContact CZ-CD2 3.7Å; F200-L419 HydrophobicContact CE1-CD1 3.91Å; F200-L419 HydrophobicContact CZ-CD1 3.95Å
201S97.6Very high95.3Very high43 Ų4355.8 Ų55.830%0.30131%0.314SS..  trans-122.2114.7176.3169.60000107.9A199 D203 H204 Y205A199-S201 PolarHBondContact O-N 3.33Å; S201-D203 VanDerWaalsContact C-N 3.28Å; S201-D203 PolarHBondContact O-N 3.22Å; S201-H204 PolarHBondContact OG-N 3.29Å; S201-Y205 WeakPolarHBondContact O-CB 3.38Å; S201-Y205 PolarHBondContact O-N 3.21Å; S201-Y205 VanDerWaalsContact O-N 3.12Å
202S95.9Very high95.2Very high43 Ų4356.9 Ų56.930%0.30132%0.315SS..Hα-helixtrans-56.9-44.6175.248.10000111.2H204 Y205 L206S202-H204 PolarHBondContact O-N 3Å; S202-Y205 PolarHBondContact O-N 2.99Å; S202-L206 VanDerWaalsContact O-CG 3.31Å; S202-L206 WeakPolarHBondContact O-CG 3.36Å; S202-L206 PolarHBondContact O-N 2.52Å
203D95.5Very high95.1Very high120 Ų12062.8 Ų62.864%0.64235%0.347SS*.Hα-helixtrans-66.5-43.8-173.2-57-4.5000110.8S201 L206 A207S201-D203 VanDerWaalsContact C-N 3.28Å; S201-D203 PolarHBondContact O-N 3.22Å; D203-L206 PolarHBondContact O-N 3.06Å; D203-A207 WeakPolarHBondContact O-CB 3.24Å; D203-A207 PolarHBondContact O-N 3.37Å
204H95.9Very high95Very high60 Ų6063.8 Ų63.828%0.27835%0.35SS..Hα-helixtrans-68.1-38.7177.5-165.8-173.2000111.9S201 S202 A207 D208 R332S201-H204 PolarHBondContact OG-N 3.29Å; S202-H204 PolarHBondContact O-N 3Å; H204-A207 PolarHBondContact O-N 3.08Å; H204-D208 PolarHBondContact O-N 2.83Å; H204-D208 VanDerWaalsContact O-N 3.1Å; H204-R332 PolarHBondContact CE1-NE 3.1Å; H204-R332 PolarHBondContact ND1-NE 2.57Å; H204-R332 VanDerWaalsContact ND1-NE 3.16Å; H204-R332 PolarHBondContact ND1-NH1 3.37Å; H204-R332 PolarHBondContact ND1-NH2 2.89Å
205Y96.4Very high95Very high0 Ų058 Ų580%032%0.323CS..Hα-helixtrans-60.5-45174.3173.1-103.9000112.2F200 S201 S202 D208 L209 L326 R332 L416 E420F200-Y205 HydrophobicContact CE2-CG 4.34Å; F200-Y205 HydrophobicContact CZ-CG 4.39Å; S201-Y205 WeakPolarHBondContact O-CB 3.38Å; S201-Y205 PolarHBondContact O-N 3.21Å; S201-Y205 VanDerWaalsContact O-N 3.12Å; S202-Y205 PolarHBondContact O-N 2.99Å; Y205-D208 PolarHBondContact O-N 2.96Å; Y205-L209 PolarHBondContact O-N 2.91Å; Y205-L209 VanDerWaalsContact O-N 3.16Å; Y205-L326 HydrophobicContact CD2-CD2 4.08Å; Y205-L326 HydrophobicContact CE2-CD1 4.18Å; Y205-L326 HydrophobicContact CE2-CD2 3.89Å; Y205-R332 WeakPolarHBondContact CD2-O 3.31Å; Y205-L416 HydrophobicContact CD1-CD2 4.14Å; Y205-L416 HydrophobicContact CE1-CB 4.48Å; Y205-L416 HydrophobicContact CE1-CD2 3.86Å; Y205-L416 HydrophobicContact CE2-CD2 4.24Å; Y205-L416 HydrophobicContact CG-CD2 4.45Å; Y205-E420 HydrophobicContact CE1-CG 4.11Å; Y205-E420 PolarHBondContact OH-OE1 2.98Å
206L95.9Very high95Very high33 Ų3358.9 Ų58.917%0.17332%0.323CS..Hα-helixtrans-69.3-37.6178.9-67.5174.3000111.4S202 D203 D208 L209 F210 L419 A423S202-L206 VanDerWaalsContact O-CG 3.31Å; S202-L206 WeakPolarHBondContact O-CG 3.36Å; S202-L206 PolarHBondContact O-N 2.52Å; D203-L206 PolarHBondContact O-N 3.06Å; L206-D208 PolarHBondContact O-N 3.13Å; L206-L209 HydrophobicContact CD2-CD2 4.27Å; L206-L209 WeakPolarHBondContact O-CB 3.28Å; L206-L209 PolarHBondContact O-N 3.15Å; L206-L209 VanDerWaalsContact O-N 3.08Å; L206-F210 HydrophobicContact CB-CD2 4.45Å; L206-F210 HydrophobicContact CB-CE2 4.5Å; L206-F210 HydrophobicContact CD2-CE2 4.19Å; L206-F210 VanDerWaalsContact O-CD2 3.23Å; L206-F210 WeakPolarHBondContact O-CD2 3.3Å; L206-F210 PolarHBondContact O-N 2.88Å; L206-L419 HydrophobicContact CD2-CB 4.43Å; L206-A423 HydrophobicContact CD1-CB 4.07Å; L206-A423 HydrophobicContact CD2-CB 3.85Å
207A94.6Very high94.9Very high38 Ų3863.3 Ų63.331%0.31434%0.34SS..Hα-helixtrans-55.9-50.9173.300000111D203 H204 L209 F210 E211D203-A207 WeakPolarHBondContact O-CB 3.24Å; D203-A207 PolarHBondContact O-N 3.37Å; H204-A207 PolarHBondContact O-N 3.08Å; A207-L209 PolarHBondContact O-N 2.88Å; A207-F210 PolarHBondContact O-N 3.31Å; A207-E211 WeakPolarHBondContact O-CA 3.22Å; A207-E211 VanDerWaalsContact O-CB 3.31Å; A207-E211 WeakPolarHBondContact O-CB 3.35Å; A207-E211 PolarHBondContact O-N 3.01Å
208D95.1Very high94.9Very high21 Ų2160.6 Ų60.611%0.11232%0.317CS..Hα-helixtrans-66.1-18.6177.5-76.7-18.2000114.1H204 Y205 L206 R332H204-D208 PolarHBondContact O-N 2.83Å; H204-D208 VanDerWaalsContact O-N 3.1Å; Y205-D208 PolarHBondContact O-N 2.96Å; L206-D208 PolarHBondContact O-N 3.13Å; D208-R332 WeakPolarHBondContact OD2-CA 3.48Å; D208-R332 WeakPolarHBondContact OD2-CB 3.42Å; D208-R332 PolarHBondContact OD2-N 3.04Å
209L94.3Very high94.8Very high27 Ų2756.2 Ų56.214%0.14130%0.296CS..Hα-helixtrans-83-39.5177.2-17969000112.5Y205 L206 A207 E420Y205-L209 PolarHBondContact O-N 2.91Å; Y205-L209 VanDerWaalsContact O-N 3.16Å; L206-L209 HydrophobicContact CD2-CD2 4.27Å; L206-L209 WeakPolarHBondContact O-CB 3.28Å; L206-L209 PolarHBondContact O-N 3.15Å; L206-L209 VanDerWaalsContact O-N 3.08Å; A207-L209 PolarHBondContact O-N 2.88Å; L209-E420 HydrophobicContact CD2-CB 4.42Å; L209-E420 HydrophobicContact CD2-CG 3.57Å
210F92.4Very high94.7Very high93 Ų9362.1 Ų62.141%0.40832%0.315SS..Hα-helixtrans-93.9-30.5-177.7-69.3-75.9000112.8L206 A207 D212 A423 R424 V427L206-F210 HydrophobicContact CB-CD2 4.45Å; L206-F210 HydrophobicContact CB-CE2 4.5Å; L206-F210 HydrophobicContact CD2-CE2 4.19Å; L206-F210 VanDerWaalsContact O-CD2 3.23Å; L206-F210 WeakPolarHBondContact O-CD2 3.3Å; L206-F210 PolarHBondContact O-N 2.88Å; A207-F210 PolarHBondContact O-N 3.31Å; F210-D212 PolarHBondContact O-N 3.39Å; F210-A423 HydrophobicContact CE2-CB 3.51Å; F210-A423 HydrophobicContact CZ-CB 3.69Å; F210-R424 HydrophobicContact CZ-CG 4.35Å; F210-V427 HydrophobicContact CD1-CG2 4.47Å; F210-V427 HydrophobicContact CE1-CG2 4.05Å; F210-V427 HydrophobicContact CZ-CG2 4.31Å
211E92.6Very high94.6Very high153 Ų15362.5 Ų62.572%0.71532%0.317SS*.SBendtrans-96.962.9174.1-59-177.7-169.100110.2A207 D213A207-E211 WeakPolarHBondContact O-CA 3.22Å; A207-E211 VanDerWaalsContact O-CB 3.31Å; A207-E211 WeakPolarHBondContact O-CB 3.35Å; A207-E211 PolarHBondContact O-N 3.01Å; E211-D213 PolarHBondContact O-N 3.45Å
212D91.6Very high94.4Very high59 Ų5964.7 Ų64.732%0.31633%0.328SS..  trans-89.89.2-16579-17.2000115.3F210 E214 I215 N216F210-D212 PolarHBondContact O-N 3.39Å; D212-E214 PolarHBondContact O-N 3.24Å; D212-I215 HydrophobicContact CB-CB 4.38Å; D212-I215 PolarHBondContact O-N 2.88Å; D212-N216 VanDerWaalsContact O-CB 3.25Å; D212-N216 WeakPolarHBondContact O-CB 3.29Å; D212-N216 VanDerWaalsContact O-CG 3.26Å; D212-N216 PolarHBondContact O-N 3.06Å; D212-N216 PolarHBondContact O-ND2 3.21Å; D212-N216 VanDerWaalsContact O-ND2 3.15Å; D212-N216 PolarHBondContact OD1-ND2 3.4Å; D212-N216 PolarHBondContact OD2-ND2 3.3Å
213D93.3Very high94.3Very high135 Ų13562.6 Ų62.672%0.72231%0.314SS*.Hα-helixtrans-57.7-49.2-177-81.9-33.6000112.5E211 N216 R217E211-D213 PolarHBondContact O-N 3.45Å; D213-N216 PolarHBondContact O-N 3.2Å; D213-R217 PolarHBondContact O-N 2.96Å; D213-R217 VanDerWaalsContact O-N 3.15Å
214E92.8Very high94.1Very high83 Ų8360.9 Ų60.939%0.38830%0.299SS..Hα-helixtrans-66.9-43.3177.2-67.4-67.4116.400110.6D212 N216 R217 L218 Y331D212-E214 PolarHBondContact O-N 3.24Å; E214-N216 VanDerWaalsContact C-N 3.29Å; E214-N216 PolarHBondContact O-N 3.29Å; E214-R217 VanDerWaalsContact O-CB 3.31Å; E214-R217 WeakPolarHBondContact O-CB 3.47Å; E214-R217 PolarHBondContact O-N 3.31Å; E214-R217 VanDerWaalsContact O-N 3.07Å; E214-R217 IonicContact OE1-CZ 2.91Å; E214-R217 IonicContact OE1-NH1 3.85Å; E214-R217 PolarHBondContact OE1-NH1 2.82Å; E214-R217 IonicContact OE2-CZ 3.66Å; E214-R217 IonicContact OE2-NH1 3.81Å; E214-R217 PolarHBondContact OE2-NH1 3.43Å; E214-R217 IonicContact OE2-NH2 2.75Å; E214-R217 PolarHBondContact OE2-NH2 2.71Å; E214-L218 WeakPolarHBondContact O-CG 3.35Å; E214-L218 PolarHBondContact O-N 3.48Å; E214-L218 VanDerWaalsContact O-N 3.1Å; E214-Y331 HydrophobicContact CB-CE1 4.01Å
215I94.4Very high93.9Very high2 Ų258 Ų581%0.0129%0.285CS..Hα-helixtrans-58.2-43.6176.8-58.4-58.2000110.8D212 R217 L218 V219 Y331 H333 L336D212-I215 HydrophobicContact CB-CB 4.38Å; D212-I215 PolarHBondContact O-N 2.88Å; I215-R217 VanDerWaalsContact C-N 3.3Å; I215-R217 PolarHBondContact O-N 3.35Å; I215-L218 PolarHBondContact O-N 2.82Å; I215-L218 VanDerWaalsContact O-N 3.15Å; I215-V219 HydrophobicContact CG2-CG2 4.2Å; I215-V219 WeakPolarHBondContact O-CB 3.22Å; I215-V219 VanDerWaalsContact O-CG2 3.26Å; I215-V219 WeakPolarHBondContact O-CG2 3.09Å; I215-V219 PolarHBondContact O-N 3.17Å; I215-Y331 HydrophobicContact CD1-CD1 3.82Å; I215-Y331 HydrophobicContact CD1-CG 4.13Å; I215-H333 HydrophobicContact CD1-CB 3.97Å; I215-H333 HydrophobicContact CG1-CB 4.25Å; I215-H333 HydrophobicContact CG2-CB 3.83Å; I215-L336 HydrophobicContact CD1-CD1 4.19Å
216N94.3Very high93.5Very high52 Ų5260 Ų6028%0.27830%0.299SS..Hα-helixtrans-63.8-34.5178.1-81-40000112.1D212 D213 E214 K220D212-N216 VanDerWaalsContact O-CB 3.25Å; D212-N216 WeakPolarHBondContact O-CB 3.29Å; D212-N216 VanDerWaalsContact O-CG 3.26Å; D212-N216 PolarHBondContact O-N 3.06Å; D212-N216 PolarHBondContact O-ND2 3.21Å; D212-N216 VanDerWaalsContact O-ND2 3.15Å; D212-N216 PolarHBondContact OD1-ND2 3.4Å; D212-N216 PolarHBondContact OD2-ND2 3.3Å; D213-N216 PolarHBondContact O-N 3.2Å; E214-N216 VanDerWaalsContact C-N 3.29Å; E214-N216 PolarHBondContact O-N 3.29Å; N216-K220 WeakPolarHBondContact O-CB 3.28Å; N216-K220 WeakPolarHBondContact O-CD 3.4Å; N216-K220 WeakPolarHBondContact O-CG 3.1Å; N216-K220 PolarHBondContact O-N 2.96Å; N216-K220 VanDerWaalsContact O-N 3.13Å
217R94.9Very high92.8Very high94 Ų9466.9 Ų66.936%0.35533%0.328SS..Hα-helixtrans-61.2-49.8170.5-173.6178.475.5-127.1-8.7110.8D213 E214 I215 V219 K220 F221 E287D213-R217 PolarHBondContact O-N 2.96Å; D213-R217 VanDerWaalsContact O-N 3.15Å; E214-R217 VanDerWaalsContact O-CB 3.31Å; E214-R217 WeakPolarHBondContact O-CB 3.47Å; E214-R217 PolarHBondContact O-N 3.31Å; E214-R217 VanDerWaalsContact O-N 3.07Å; E214-R217 IonicContact OE1-CZ 2.91Å; E214-R217 IonicContact OE1-NH1 3.85Å; E214-R217 PolarHBondContact OE1-NH1 2.82Å; E214-R217 IonicContact OE2-CZ 3.66Å; E214-R217 IonicContact OE2-NH1 3.81Å; E214-R217 PolarHBondContact OE2-NH1 3.43Å; E214-R217 IonicContact OE2-NH2 2.75Å; E214-R217 PolarHBondContact OE2-NH2 2.71Å; I215-R217 VanDerWaalsContact C-N 3.3Å; I215-R217 PolarHBondContact O-N 3.35Å; R217-V219 VanDerWaalsContact C-N 3.34Å; R217-V219 PolarHBondContact O-N 3.35Å; R217-K220 PolarHBondContact O-N 3.13Å; R217-F221 PolarHBondContact O-N 3.2Å; R217-F221 VanDerWaalsContact O-N 3.08Å; R217-E287 IonicContact CZ-OE2 2.71Å; R217-E287 IonicContact NE-OE1 3.75Å; R217-E287 IonicContact NE-OE2 2.56Å; R217-E287 PolarHBondContact NE-OE2 3.29Å; R217-E287 IonicContact NH2-OE2 3.28Å; R217-E287 PolarHBondContact NH2-OE2 3.24Å
218L94.6Very high92Very high0 Ų066.6 Ų66.60%032%0.321CS..Hα-helixtrans-66.6-33.2-178.9-56.3177.4000113E214 I215 F221 R284 E287 Y331 L336E214-L218 WeakPolarHBondContact O-CG 3.35Å; E214-L218 PolarHBondContact O-N 3.48Å; E214-L218 VanDerWaalsContact O-N 3.1Å; I215-L218 PolarHBondContact O-N 2.82Å; I215-L218 VanDerWaalsContact O-N 3.15Å; L218-F221 WeakPolarHBondContact O-CB 3.4Å; L218-F221 PolarHBondContact O-N 3.31Å; L218-R284 WeakPolarHBondContact CD2-O 3.42Å; L218-R284 PolarHBondContact O-NH1 3.31Å; L218-E287 HydrophobicContact CD2-CG 3.8Å; L218-Y331 HydrophobicContact CD1-CD1 4.03Å; L218-Y331 HydrophobicContact CD1-CD2 3.42Å; L218-Y331 VanDerWaalsContact CD1-CD2 3.42Å; L218-Y331 HydrophobicContact CD1-CE1 4.24Å; L218-Y331 HydrophobicContact CD1-CE2 3.66Å; L218-Y331 HydrophobicContact CD1-CG 3.6Å; L218-L336 HydrophobicContact CB-CD2 4.07Å; L218-L336 HydrophobicContact CD1-CD1 4.43Å
219V94.5Very high90.3Very high49 Ų4969 Ų6930%0.29734%0.339SS..Hα-helixtrans-65.9-40.8174.1163.80000111.1I215 R217 F221 A335 L336 L339I215-V219 HydrophobicContact CG2-CG2 4.2Å; I215-V219 WeakPolarHBondContact O-CB 3.22Å; I215-V219 VanDerWaalsContact O-CG2 3.26Å; I215-V219 WeakPolarHBondContact O-CG2 3.09Å; I215-V219 PolarHBondContact O-N 3.17Å; R217-V219 VanDerWaalsContact C-N 3.34Å; R217-V219 PolarHBondContact O-N 3.35Å; V219-F221 VanDerWaalsContact C-N 3.31Å; V219-A335 HydrophobicContact CG2-CB 4.41Å; V219-L336 HydrophobicContact CG2-CD2 4.16Å; V219-L339 HydrophobicContact CB-CD1 4.04Å; V219-L339 HydrophobicContact CG1-CD1 3.94Å; V219-L339 HydrophobicContact CG2-CD1 3.79Å
220K94.8Very high88.4Confident161 Ų16172.9 Ų72.970%0.737%0.366SS*.Hα-helixtrans-73.1-22.5178.2-70.8166.7-171.6166.40112.9N216 R217 T222N216-K220 WeakPolarHBondContact O-CB 3.28Å; N216-K220 WeakPolarHBondContact O-CD 3.4Å; N216-K220 WeakPolarHBondContact O-CG 3.1Å; N216-K220 PolarHBondContact O-N 2.96Å; N216-K220 VanDerWaalsContact O-N 3.13Å; R217-K220 PolarHBondContact O-N 3.13Å; K220-T222 PolarHBondContact O-N 2.95Å
221F95.5Very high86.1Confident46 Ų4670.4 Ų70.420%0.20236%0.361CS..  trans-55.9135.2176.2176.4-102.6000111.4R217 L218 V219 P223 V283 R284 E287R217-F221 PolarHBondContact O-N 3.2Å; R217-F221 VanDerWaalsContact O-N 3.08Å; L218-F221 WeakPolarHBondContact O-CB 3.4Å; L218-F221 PolarHBondContact O-N 3.31Å; V219-F221 VanDerWaalsContact C-N 3.31Å; F221-P223 HydrophobicContact CD1-CG 4.14Å; F221-P223 HydrophobicContact CE1-CB 4.22Å; F221-P223 HydrophobicContact CE1-CG 3.93Å; F221-V283 HydrophobicContact CE1-CG1 4.19Å; F221-V283 WeakPolarHBondContact CE1-O 3.09Å; F221-R284 HydrophobicContact CD1-CG 4.34Å; F221-R284 PolarHBondContact O-NH1 3.36Å; F221-E287 HydrophobicContact CD2-CB 4.05Å; F221-E287 HydrophobicContact CD2-CG 4.39Å; F221-E287 VanDerWaalsContact CE2-C 3.42Å; F221-E287 HydrophobicContact CE2-CB 4.09Å; F221-E287 WeakPolarHBondContact CE2-O 3.37Å; F221-E287 VanDerWaalsContact CZ-O 3.28Å; F221-E287 WeakPolarHBondContact CZ-O 3.49Å
222T93.1Very high83.8Confident89 Ų8969.3 Ų69.355%0.54636%0.364SS..  trans-113.8105.9-178.6-610000109.9K220K220-T222 PolarHBondContact O-N 2.95Å
223P93.1Very high81.8Confident0 Ų073.2 Ų73.20%038%0.381CS..  trans-62.4156.3179-23.832.8000113F221 W225 S226 V283 R284F221-P223 HydrophobicContact CD1-CG 4.14Å; F221-P223 HydrophobicContact CE1-CB 4.22Å; F221-P223 HydrophobicContact CE1-CG 3.93Å; P223-W225 VanDerWaalsContact C-N 3.26Å; P223-W225 HydrophobicContact CB-CD2 3.66Å; P223-W225 HydrophobicContact CB-CE3 4.12Å; P223-W225 HydrophobicContact CB-CG 4.25Å; P223-W225 HydrophobicContact CB-CH2 3.89Å; P223-W225 HydrophobicContact CB-CZ2 3.35Å; P223-W225 HydrophobicContact CB-CZ3 4.22Å; P223-W225 HydrophobicContact CG-CH2 4.42Å; P223-W225 HydrophobicContact CG-CZ2 3.64Å; P223-W225 PolarHBondContact O-N 3.19Å; P223-S226 VanDerWaalsContact O-CB 3.25Å; P223-S226 WeakPolarHBondContact O-CB 3.32Å; P223-S226 PolarHBondContact O-N 3.26Å; P223-S226 PolarHBondContact O-OG 3.49Å; P223-V283 HydrophobicContact CB-CG1 4.32Å; P223-R284 HydrophobicContact CG-CG 4.34Å
224W92.1Very high79.4Confident83 Ų8375.5 Ų75.531%0.31439%0.387SS..G310 helixtrans-59.6-32.5-17662.1-97.1000113.7S226 K227 L228 K357W224-S226 PolarHBondContact O-N 3.07Å; W224-K227 PolarHBondContact O-N 2.89Å; W224-L228 HydrophobicContact CE3-CD1 4.36Å; W224-L228 HydrophobicContact CZ3-CD1 3.89Å; W224-K357 HydrophobicContact CH2-CB 4.15Å; W224-K357 HydrophobicContact CH2-CD 3.66Å; W224-K357 HydrophobicContact CH2-CG 3.99Å; W224-K357 HydrophobicContact CZ2-CD 4.2Å; W224-K357 HydrophobicContact CZ2-CG 4.26Å; W224-K357 HydrophobicContact CZ3-CD 4Å
225W91.4Very high77.1Confident1 Ų178.9 Ų78.90%0.00440%0.4CS..G310 helixtrans-69.5-17.1176.85477000113.6P223 K227 L228 Y279 V283 D343 I347P223-W225 VanDerWaalsContact C-N 3.26Å; P223-W225 HydrophobicContact CB-CD2 3.66Å; P223-W225 HydrophobicContact CB-CE3 4.12Å; P223-W225 HydrophobicContact CB-CG 4.25Å; P223-W225 HydrophobicContact CB-CH2 3.89Å; P223-W225 HydrophobicContact CB-CZ2 3.35Å; P223-W225 HydrophobicContact CB-CZ3 4.22Å; P223-W225 HydrophobicContact CG-CH2 4.42Å; P223-W225 HydrophobicContact CG-CZ2 3.64Å; P223-W225 PolarHBondContact O-N 3.19Å; W225-K227 PolarHBondContact O-N 3.49Å; W225-L228 HydrophobicContact CB-CD1 4.14Å; W225-L228 WeakPolarHBondContact O-CB 3.34Å; W225-L228 PolarHBondContact O-N 2.94Å; W225-L228 VanDerWaalsContact O-N 3.07Å; W225-Y279 HydrophobicContact CH2-CE1 4.19Å; W225-Y279 AromaticContact CZ3-CE1 3.79Å; W225-Y279 HydrophobicContact CZ3-CE1 3.79Å; W225-V283 HydrophobicContact CH2-CB 3.59Å; W225-V283 HydrophobicContact CH2-CG1 3.46Å; W225-V283 VanDerWaalsContact CH2-CG1 3.46Å; W225-V283 HydrophobicContact CH2-CG2 3.82Å; W225-V283 HydrophobicContact CZ2-CG1 4.31Å; W225-V283 HydrophobicContact CZ3-CB 4.16Å; W225-V283 HydrophobicContact CZ3-CG1 3.8Å; W225-V283 HydrophobicContact CZ3-CG2 4.01Å; W225-D343 HydrophobicContact CZ2-CB 3.94Å; W225-D343 PolarHBondContact NE1-OD1 3.47Å; W225-I347 HydrophobicContact CB-CG1 4.26Å; W225-I347 HydrophobicContact CD2-CD1 3.87Å; W225-I347 HydrophobicContact CD2-CG1 3.74Å; W225-I347 HydrophobicContact CE3-CD1 4.04Å; W225-I347 HydrophobicContact CE3-CG1 4.19Å; W225-I347 HydrophobicContact CG-CD1 4.41Å; W225-I347 HydrophobicContact CG-CG1 3.76Å; W225-I347 HydrophobicContact CH2-CD1 4.12Å; W225-I347 HydrophobicContact CZ2-CD1 3.99Å; W225-I347 HydrophobicContact CZ3-CD1 4.18Å
226S87.6Confident74.8Confident42 Ų4279.4 Ų79.429%0.29441%0.407SS..G310 helixtrans-65.5-20.5175.8-630000112.7P223 W224 L228P223-S226 VanDerWaalsContact O-CB 3.25Å; P223-S226 WeakPolarHBondContact O-CB 3.32Å; P223-S226 PolarHBondContact O-N 3.26Å; P223-S226 PolarHBondContact O-OG 3.49Å; W224-S226 PolarHBondContact O-N 3.07Å; S226-L228 VanDerWaalsContact C-N 3.32Å
227K81.3Confident72.6Confident176 Ų17680.7 Ų80.777%0.76541%0.411SS*.G310 helixtrans-82.5-11.2177-60.2175.2-176.2172.40112.5W224 W225 S229W224-K227 PolarHBondContact O-N 2.89Å; W225-K227 PolarHBondContact O-N 3.49Å; K227-S229 PolarHBondContact O-N 3.26Å
228L79.1Confident70.5Confident32 Ų3281.3 Ų81.317%0.16843%0.43CS..SBendtrans-80.2112.3179.2-61.5172.2000109.1W224 W225 S226 A239 V240 C354W224-L228 HydrophobicContact CE3-CD1 4.36Å; W224-L228 HydrophobicContact CZ3-CD1 3.89Å; W225-L228 HydrophobicContact CB-CD1 4.14Å; W225-L228 WeakPolarHBondContact O-CB 3.34Å; W225-L228 PolarHBondContact O-N 2.94Å; W225-L228 VanDerWaalsContact O-N 3.07Å; S226-L228 VanDerWaalsContact C-N 3.32Å; L228-A239 HydrophobicContact CD2-CB 3.78Å; L228-V240 HydrophobicContact CD1-CG2 3.83Å; L228-V240 HydrophobicContact CD2-CG2 4.1Å; L228-C354 HydrophobicContact CD1-CB 4.37Å
229S58.4Low69.1Low71 Ų7183.9 Ų83.950%0.49745%0.451SS..  trans-68.7139.9175.162.40000110.8K227 S231K227-S229 PolarHBondContact O-N 3.26Å; S229-S231 PolarHBondContact O-N 3.12Å; S229-S231 PolarHBondContact OG-OG 3.2Å
230P55.5Low68.3Low109 Ų10982.1 Ų82.171%0.70844%0.44SS*.  trans-74.272.8168.831.3-33000108.9
231S43.3Very low67.7Low42 Ų4279 Ų7929%0.29444%0.439SS..  trans-99.7139.7175.839.10000110.8S229S229-S231 PolarHBondContact O-N 3.12Å; S229-S231 PolarHBondContact OG-OG 3.2Å
232T44.7Very low67.4Low130 Ų13079.3 Ų79.380%0.79844%0.44SS*.THydrogen-bonded Turntrans-32.2136.5-178.6-39.30000112.9Q234 K235T232-Q234 PolarHBondContact O-N 3.36Å; T232-K235 PolarHBondContact O-N 3.18Å
233E48.4Very low67.2Low141 Ų14177.3 Ų77.366%0.65943%0.43SS*.THydrogen-bonded Turntrans-25.7-22.1-169.7-61.2-178.5154.500119.7
234Q44.4Very low67Low182 Ų18282.6 Ų82.685%0.8546%0.458SS*.THydrogen-bonded Turntrans-92.5-19178.9-66.6-171.1-15.100115.2T232T232-Q234 PolarHBondContact O-N 3.36Å
235K44.4Very low66.8Low154 Ų15485.3 Ų85.367%0.6747%0.474SS*.THydrogen-bonded Turntrans-102-28.8179.6-86-174.7175.8-178.30114.7T232 E237 S238 A239T232-K235 PolarHBondContact O-N 3.18Å; K235-E237 PolarHBondContact O-N 3.41Å; K235-S238 PolarHBondContact O-N 3.49Å; K235-A239 PolarHBondContact O-N 2.67Å
236G45.8Very low66.8Low14 Ų1486.5 Ų86.514%0.14448%0.48CS..Hα-helixtrans-63.4-38.6178.600000113.8S238 A239G236-S238 VanDerWaalsContact C-N 3.31Å; G236-S238 PolarHBondContact O-N 3.22Å; G236-A239 PolarHBondContact O-N 2.98Å
237E48.3Very low66.9Low79 Ų7988.3 Ų88.337%0.36948%0.482SS..Hα-helixtrans-69.9-26.3176.1-67.3-170.9175.700113K235 K352K235-E237 PolarHBondContact O-N 3.41Å; E237-K352 VanDerWaalsContact CD-NZ 3.3Å; E237-K352 WeakPolarHBondContact OE1-CE 3.22Å; E237-K352 IonicContact OE1-NZ 2.65Å; E237-K352 PolarHBondContact OE1-NZ 3.24Å; E237-K352 IonicContact OE2-NZ 2.69Å; E237-K352 PolarHBondContact OE2-NZ 3.01Å
238S51.3Low67.2Low107 Ų10784.6 Ų84.675%0.74847%0.468SS*.Hα-helixtrans-83.4-11.4175-76.30000113.9K235 G236K235-S238 PolarHBondContact O-N 3.49Å; G236-S238 VanDerWaalsContact C-N 3.31Å; G236-S238 PolarHBondContact O-N 3.22Å
239A63.3Low67.7Low53 Ų5384 Ų8444%0.43846%0.464SS..Hα-helixtrans-81.2-21.8-178.900000112.9L228 K235 G236L228-A239 HydrophobicContact CD2-CB 3.78Å; K235-A239 PolarHBondContact O-N 2.67Å; G236-A239 PolarHBondContact O-N 2.98Å
240V77.7Confident69Low12 Ų1282.6 Ų82.67%0.07345%0.451CS..  trans-101.5106.8-178.4-176.10000109.4L228 A353 C354 K357L228-V240 HydrophobicContact CD1-CG2 3.83Å; L228-V240 HydrophobicContact CD2-CG2 4.1Å; V240-A353 HydrophobicContact CB-CB 4.07Å; V240-A353 HydrophobicContact CG1-CB 4.45Å; V240-C354 HydrophobicContact CG2-CB 4.14Å; V240-K357 HydrophobicContact CG1-CB 4.04Å; V240-K357 HydrophobicContact CG1-CD 3.54Å; V240-K357 HydrophobicContact CG1-CG 4.41Å
241S83.6Confident70.5Confident97 Ų9786.2 Ų86.268%0.67845%0.45SS*.PPolyproline II helixtrans-89.8134.217457.10000111.5K357S241-K357 PolarHBondContact O-NZ 2.63Å
242F89.6Confident72.5Confident52 Ų5289.9 Ų89.923%0.22846%0.461CS..PPolyproline II helixtrans-87.7134.7169.3-60.6-75.5000110.6E246 K247 A353 L356 K357 L360F242-E246 WeakPolarHBondContact CA-OE2 3.42Å; F242-E246 HydrophobicContact CB-CB 4.15Å; F242-E246 HydrophobicContact CD1-CB 4.23Å; F242-K247 HydrophobicContact CB-CG 4.03Å; F242-K247 WeakPolarHBondContact O-CE 3.36Å; F242-K247 PolarHBondContact O-NZ 2.69Å; F242-A353 HydrophobicContact CZ-CB 4.34Å; F242-L356 HydrophobicContact CE1-CD2 4.33Å; F242-L356 HydrophobicContact CE1-CG 4.29Å; F242-L356 HydrophobicContact CZ-CB 4.46Å; F242-L356 HydrophobicContact CZ-CD2 3.96Å; F242-L356 HydrophobicContact CZ-CG 4.32Å; F242-K357 HydrophobicContact CE1-CB 4.14Å; F242-L360 HydrophobicContact CD1-CD1 4.01Å; F242-L360 HydrophobicContact CE1-CD1 3.96Å
243S88.9Confident74.3Confident46 Ų4685 Ų8532%0.32243%0.429SS..PPolyproline II helixtrans-62.6166.716560.80000111E245 E246 K247S243-E245 VanDerWaalsContact C-N 3.34Å; S243-E245 WeakPolarHBondContact CB-OE2 3.4Å; S243-E246 PolarHBondContact N-OE2 3.27Å; S243-E246 PolarHBondContact O-N 3.36Å; S243-E246 WeakPolarHBondContact OG-CB 3.5Å; S243-E246 WeakPolarHBondContact OG-CG 3.48Å; S243-E246 PolarHBondContact OG-N 3.43Å; S243-E246 PolarHBondContact OG-OE2 2.84Å; S243-K247 WeakPolarHBondContact O-CG 3.18Å; S243-K247 PolarHBondContact O-N 3.1Å; S243-K247 VanDerWaalsContact O-N 3.11Å
244D88.7Confident75.6Confident112 Ų11281.9 Ų81.960%0.59942%0.419SS*.Hα-helixtrans-73.5-31.3-177.9-68.4-28.2000111.7K247 E248D244-K247 PolarHBondContact O-N 3.3Å; D244-K247 IonicContact OD1-NZ 2.76Å; D244-K247 PolarHBondContact OD1-NZ 2.71Å; D244-E248 PolarHBondContact O-N 3.08Å
245E87.8Confident76.9Confident140 Ų14079.8 Ų79.865%0.65441%0.414SS*.Hα-helixtrans-63.6-45.8171.7-61.576.4-16800111.4S243 K247 E248 Q249S243-E245 VanDerWaalsContact C-N 3.34Å; S243-E245 WeakPolarHBondContact CB-OE2 3.4Å; E245-K247 VanDerWaalsContact C-N 3.32Å; E245-K247 PolarHBondContact O-N 2.83Å; E245-E248 PolarHBondContact O-N 3.27Å; E245-Q249 PolarHBondContact O-N 3.3Å
246E90.9Very high78.3Confident26 Ų2678.2 Ų78.212%0.12140%0.404CS..Hα-helixtrans-60-42.6175.4-78.2165.6152.800111F242 S243 Q249 L250 K357 L360F242-E246 WeakPolarHBondContact CA-OE2 3.42Å; F242-E246 HydrophobicContact CB-CB 4.15Å; F242-E246 HydrophobicContact CD1-CB 4.23Å; S243-E246 PolarHBondContact N-OE2 3.27Å; S243-E246 PolarHBondContact O-N 3.36Å; S243-E246 WeakPolarHBondContact OG-CB 3.5Å; S243-E246 WeakPolarHBondContact OG-CG 3.48Å; S243-E246 PolarHBondContact OG-N 3.43Å; S243-E246 PolarHBondContact OG-OE2 2.84Å; E246-Q249 PolarHBondContact O-N 3.39Å; E246-L250 WeakPolarHBondContact O-CG 3.45Å; E246-L250 PolarHBondContact O-N 2.93Å; E246-K357 WeakPolarHBondContact OE1-CG 3.41Å; E246-K357 IonicContact OE1-NZ 2.69Å; E246-K357 PolarHBondContact OE1-NZ 3.03Å; E246-K357 IonicContact OE2-NZ 3.97Å; E246-K357 PolarHBondContact OE2-NZ 2.97Å; E246-L360 HydrophobicContact CB-CD1 3.97Å; E246-L360 HydrophobicContact CG-CB 4.32Å; E246-L360 HydrophobicContact CG-CD1 4.07Å
247K89.9Confident79.6Confident79 Ų7981.6 Ų81.634%0.34343%0.425SS..Hα-helixtrans-66.1-40.7176.3-68.6170.2-1571480112.2F242 S243 D244 E245 Q249 L250 R251F242-K247 HydrophobicContact CB-CG 4.03Å; F242-K247 WeakPolarHBondContact O-CE 3.36Å; F242-K247 PolarHBondContact O-NZ 2.69Å; S243-K247 WeakPolarHBondContact O-CG 3.18Å; S243-K247 PolarHBondContact O-N 3.1Å; S243-K247 VanDerWaalsContact O-N 3.11Å; D244-K247 PolarHBondContact O-N 3.3Å; D244-K247 IonicContact OD1-NZ 2.76Å; D244-K247 PolarHBondContact OD1-NZ 2.71Å; E245-K247 VanDerWaalsContact C-N 3.32Å; E245-K247 PolarHBondContact O-N 2.83Å; K247-Q249 VanDerWaalsContact C-N 3.3Å; K247-L250 PolarHBondContact O-N 3.47Å; K247-R251 WeakPolarHBondContact O-CG 3.27Å; K247-R251 PolarHBondContact O-N 2.89Å; K247-R251 VanDerWaalsContact O-N 3.13Å
248E88.1Confident81.1Confident98 Ų9879.5 Ų79.546%0.45842%0.415SS..Hα-helixtrans-61.8-42.4175.7-165-166.1138.800110.9D244 E245 L250 R251 K252D244-E248 PolarHBondContact O-N 3.08Å; E245-E248 PolarHBondContact O-N 3.27Å; E248-L250 PolarHBondContact O-N 3.38Å; E248-R251 WeakPolarHBondContact O-CB 3.25Å; E248-R251 PolarHBondContact O-N 2.87Å; E248-R251 VanDerWaalsContact O-N 3.16Å; E248-K252 PolarHBondContact O-N 3.16Å; E248-K252 VanDerWaalsContact OE1-CE 3.24Å; E248-K252 WeakPolarHBondContact OE1-CE 3.42Å; E248-K252 IonicContact OE1-NZ 3.35Å; E248-K252 PolarHBondContact OE1-NZ 3.36Å
249Q87.8Confident82.3Confident20 Ų2082.2 Ų82.29%0.09342%0.42CS..Hα-helixtrans-63.5-42.2176.3-173.359.41700112.4E245 E246 K247 R251 K252 F253 L360 H363 R367E245-Q249 PolarHBondContact O-N 3.3Å; E246-Q249 PolarHBondContact O-N 3.39Å; K247-Q249 VanDerWaalsContact C-N 3.3Å; Q249-R251 PolarHBondContact O-N 3.05Å; Q249-K252 WeakPolarHBondContact O-CB 3.46Å; Q249-K252 PolarHBondContact O-N 2.77Å; Q249-F253 HydrophobicContact CG-CE1 4.09Å; Q249-F253 HydrophobicContact CG-CE2 4.26Å; Q249-F253 HydrophobicContact CG-CZ 3.69Å; Q249-F253 PolarHBondContact O-N 2.84Å; Q249-L360 HydrophobicContact CB-CD2 4.49Å; Q249-L360 HydrophobicContact CG-CD2 4.25Å; Q249-H363 PolarHBondContact NE2-CE1 3.11Å; Q249-H363 PolarHBondContact NE2-NE2 3.12Å; Q249-R367 VanDerWaalsContact OE1-CZ 3.25Å
250L87.4Confident83.1Confident41 Ų4180.4 Ų80.422%0.21540%0.403CS..Hα-helixtrans-60-31.3175.5-72.8170.6000112.7E246 K247 E248 K252 F253 L356 L360E246-L250 WeakPolarHBondContact O-CG 3.45Å; E246-L250 PolarHBondContact O-N 2.93Å; K247-L250 PolarHBondContact O-N 3.47Å; E248-L250 PolarHBondContact O-N 3.38Å; L250-K252 VanDerWaalsContact C-N 3.32Å; L250-F253 HydrophobicContact CD2-CD2 3.9Å; L250-F253 HydrophobicContact CD2-CE2 3.94Å; L250-F253 PolarHBondContact O-N 3.15Å; L250-L356 HydrophobicContact CD1-CD2 4.42Å; L250-L356 HydrophobicContact CD2-CD1 4.19Å; L250-L356 HydrophobicContact CD2-CD2 4.07Å; L250-L356 HydrophobicContact CD2-CG 4.44Å; L250-L360 HydrophobicContact CD1-CD1 4.1Å; L250-L360 HydrophobicContact CD2-CD1 4.19Å; L250-L360 HydrophobicContact CD2-CD2 4.09Å; L250-L360 HydrophobicContact CG-CD1 4.05Å; L250-L360 HydrophobicContact CG-CD2 4.26Å
251R86.8Confident83.2Confident185 Ų18583.8 Ų83.870%0.69842%0.421SS*.Hα-helixtrans-70.6-26.1174.8-67.7172.7-171.6116.6-2.5113.1K247 E248 Q249 F253K247-R251 WeakPolarHBondContact O-CG 3.27Å; K247-R251 PolarHBondContact O-N 2.89Å; K247-R251 VanDerWaalsContact O-N 3.13Å; E248-R251 WeakPolarHBondContact O-CB 3.25Å; E248-R251 PolarHBondContact O-N 2.87Å; E248-R251 VanDerWaalsContact O-N 3.16Å; Q249-R251 PolarHBondContact O-N 3.05Å; R251-F253 VanDerWaalsContact C-N 3.31Å
252K84.4Confident82.8Confident119 Ų11988.1 Ų88.152%0.51743%0.427SS..Hα-helixtrans-76-21176.9-66.6173.5-175.5167.20112.2E248 Q249 L250 T254E248-K252 PolarHBondContact O-N 3.16Å; E248-K252 VanDerWaalsContact OE1-CE 3.24Å; E248-K252 WeakPolarHBondContact OE1-CE 3.42Å; E248-K252 IonicContact OE1-NZ 3.35Å; E248-K252 PolarHBondContact OE1-NZ 3.36Å; Q249-K252 WeakPolarHBondContact O-CB 3.46Å; Q249-K252 PolarHBondContact O-N 2.77Å; L250-K252 VanDerWaalsContact C-N 3.32Å; K252-T254 PolarHBondContact O-N 3.06Å
253F81.8Confident82.4Confident28 Ų2889.8 Ų89.812%0.12344%0.442CS..SBendtrans-73.2125.3178.2-61.3-31.9000111.9Q249 L250 R251 L360 H363 T381 C384 I385Q249-F253 HydrophobicContact CG-CE1 4.09Å; Q249-F253 HydrophobicContact CG-CE2 4.26Å; Q249-F253 HydrophobicContact CG-CZ 3.69Å; Q249-F253 PolarHBondContact O-N 2.84Å; L250-F253 HydrophobicContact CD2-CD2 3.9Å; L250-F253 HydrophobicContact CD2-CE2 3.94Å; L250-F253 PolarHBondContact O-N 3.15Å; R251-F253 VanDerWaalsContact C-N 3.31Å; F253-L360 HydrophobicContact CE2-CD2 3.82Å; F253-L360 HydrophobicContact CZ-CD2 4.16Å; F253-H363 AromaticContact CE1-CD2 3.83Å; F253-H363 AromaticContact CE1-NE2 3.56Å; F253-H363 AromaticContact CZ-CD2 3.63Å; F253-H363 AromaticContact CZ-NE2 3.82Å; F253-T381 HydrophobicContact CD1-CG2 3.79Å; F253-T381 HydrophobicContact CE1-CG2 3.89Å; F253-C384 HydrophobicContact CD2-CB 4.16Å; F253-C384 HydrophobicContact CE2-CB 3.6Å; F253-C384 HydrophobicContact CZ-CB 4.11Å; F253-I385 HydrophobicContact CB-CD1 4.23Å; F253-I385 HydrophobicContact CB-CG1 4.01Å; F253-I385 HydrophobicContact CG-CG1 4.4Å
254T76.7Confident82.2Confident76 Ų7688.7 Ų88.747%0.46644%0.435SS..  trans-71135.117363.10000110.7K252 R256 I385K252-T254 PolarHBondContact O-N 3.06Å; T254-R256 PolarHBondContact O-N 3.1Å; T254-R256 PolarHBondContact OG1-NE 3.27Å; T254-I385 WeakPolarHBondContact O-CD1 3.38Å
255N71.8Confident82Confident137 Ų13789.5 Ų89.573%0.73343%0.429SS*.  trans-75.496.8-177.3-165.810.2000111.1R389N255-R389 PolarHBondContact OD1-NH2 3.3Å
256R74.1Confident81.7Confident122 Ų12286 Ų8646%0.4642%0.419SS..  trans-106.1141.9-177.9-64.2-179.7-176.7-172.8-3.6112.1T254 F258 R389T254-R256 PolarHBondContact O-N 3.1Å; T254-R256 PolarHBondContact OG1-NE 3.27Å; R256-F258 HydrophobicContact CB-CZ 4.34Å; R256-R389 PolarHBondContact O-NH2 2.86Å
257S73.4Confident81.6Confident85 Ų8586.8 Ų86.859%0.59442%0.423SS*.  trans-99.6121.1170.556.80000110.7R389S257-R389 VanDerWaalsContact CA-NH1 3.3Å; S257-R389 VanDerWaalsContact CB-NH1 3.25Å
258F79.7Confident81.6Confident35 Ų3583 Ų8315%0.15441%0.406CS..  trans-91.9117.8176.6-56.4-80.8000110.6F156 R256 L260 D382 I385 W386F156-F258 HydrophobicContact CD1-CD1 4.09Å; F156-F258 HydrophobicContact CD1-CE1 4.05Å; F156-F258 HydrophobicContact CE1-CB 4.37Å; F156-F258 AromaticContact CE1-CD1 3.56Å; F156-F258 HydrophobicContact CE1-CD1 3.56Å; F156-F258 HydrophobicContact CE1-CD2 4.39Å; F156-F258 AromaticContact CE1-CE1 3.85Å; F156-F258 HydrophobicContact CE1-CE1 3.85Å; F156-F258 AromaticContact CE1-CG 3.85Å; F156-F258 HydrophobicContact CE1-CG 3.85Å; F156-F258 HydrophobicContact CE1-CZ 4.38Å; F156-F258 HydrophobicContact CZ-CD1 4.45Å; F156-F258 HydrophobicContact CZ-CG 4.38Å; R256-F258 HydrophobicContact CB-CZ 4.34Å; F258-L260 HydrophobicContact CB-CD2 4.42Å; F258-L260 HydrophobicContact CB-CG 4.13Å; F258-L260 PolarHBondContact O-N 2.9Å; F258-D382 HydrophobicContact CE1-CB 4.02Å; F258-D382 HydrophobicContact CZ-CB 3.78Å; F258-D382 WeakPolarHBondContact CZ-OD1 3.35Å; F258-I385 HydrophobicContact CE2-CB 3.97Å; F258-I385 HydrophobicContact CE2-CG2 3.76Å; F258-I385 HydrophobicContact CZ-CB 4.35Å; F258-I385 HydrophobicContact CZ-CG2 4.37Å; F258-W386 HydrophobicContact CD2-CB 3.91Å; F258-W386 AromaticContact CD2-CD1 3.95Å; F258-W386 HydrophobicContact CD2-CG 4.35Å; F258-W386 HydrophobicContact CE2-CB 3.89Å
259L76Confident81.8Confident164 Ų16479.8 Ų79.886%0.85939%0.39SS*.  trans-91.691.2171.4-65175.2000108.6
260L80.6Confident82Confident14 Ų1479.4 Ų79.47%0.07339%0.389CS..  trans-101.1128.7179.9-57.5-177.3000111.2F156 A157 F258 R265 A268F156-L260 HydrophobicContact CE1-CD1 4.3Å; F156-L260 HydrophobicContact CE1-CD2 4.44Å; F156-L260 HydrophobicContact CZ-CD1 4.21Å; A157-L260 HydrophobicContact CB-CD1 4.21Å; A157-L260 HydrophobicContact CB-CD2 3.63Å; F258-L260 HydrophobicContact CB-CD2 4.42Å; F258-L260 HydrophobicContact CB-CG 4.13Å; F258-L260 PolarHBondContact O-N 2.9Å; L260-R265 HydrophobicContact CB-CB 4.15Å; L260-R265 PolarHBondContact O-NH2 3.24Å; L260-A268 HydrophobicContact CD1-CB 4.33Å
261D79.1Confident82.4Confident84 Ų8478 Ų7845%0.44938%0.382SS..  trans-65.8171.7164.672.2-60.5000110.8T263 S264 R265D261-T263 VanDerWaalsContact C-N 3.27Å; D261-T263 PolarHBondContact O-N 3.06Å; D261-T263 VanDerWaalsContact OD2-CB 3.24Å; D261-T263 WeakPolarHBondContact OD2-CB 3.44Å; D261-T263 PolarHBondContact OD2-N 3.2Å; D261-S264 WeakPolarHBondContact OD1-CB 3.48Å; D261-S264 PolarHBondContact OD1-N 3.01Å; D261-S264 PolarHBondContact OD1-OG 3.43Å; D261-S264 PolarHBondContact OD2-N 2.94Å; D261-R265 VanDerWaalsContact O-CB 3.24Å; D261-R265 WeakPolarHBondContact O-CB 3.39Å; D261-R265 PolarHBondContact O-N 3.24Å
262K76.3Confident82.8Confident187 Ų18769.2 Ų69.281%0.81335%0.349SS*.Hα-helixtrans-61.9-37.5-175.9-171.8-178.5176.5-172.50111.8C266K262-C266 PolarHBondContact O-N 3.43Å; K262-C266 VanDerWaalsContact O-N 3.14Å
263T80.6Confident83.3Confident87 Ų8763.6 Ų63.653%0.53433%0.325SS..Hα-helixtrans-72.9-51-177.2-530000110.6D261 R265 C266 Q267D261-T263 VanDerWaalsContact C-N 3.27Å; D261-T263 PolarHBondContact O-N 3.06Å; D261-T263 VanDerWaalsContact OD2-CB 3.24Å; D261-T263 WeakPolarHBondContact OD2-CB 3.44Å; D261-T263 PolarHBondContact OD2-N 3.2Å; T263-R265 PolarHBondContact O-N 3.22Å; T263-C266 WeakPolarHBondContact O-CB 3.21Å; T263-C266 PolarHBondContact O-N 3.18Å; T263-Q267 WeakPolarHBondContact O-CG 3.44Å; T263-Q267 PolarHBondContact O-N 3.08Å
264S83.8Confident84.1Confident24 Ų2462.3 Ų62.317%0.16832%0.319CS..Hα-helixtrans-64.3-29.8179-50.80000112.3D261 Q267 A268D261-S264 WeakPolarHBondContact OD1-CB 3.48Å; D261-S264 PolarHBondContact OD1-N 3.01Å; D261-S264 PolarHBondContact OD1-OG 3.43Å; D261-S264 PolarHBondContact OD2-N 2.94Å; S264-Q267 PolarHBondContact O-N 3.33Å; S264-A268 WeakPolarHBondContact O-CB 3.05Å; S264-A268 PolarHBondContact O-N 3.19Å
265R84.5Confident85.1Confident129 Ų12958.7 Ų58.749%0.48730%0.297SS..Hα-helixtrans-67.8-39.4172.5-166.8-178.4-49.4172.26.5112.7L260 D261 T263 A268 W269 W386L260-R265 HydrophobicContact CB-CB 4.15Å; L260-R265 PolarHBondContact O-NH2 3.24Å; D261-R265 VanDerWaalsContact O-CB 3.24Å; D261-R265 WeakPolarHBondContact O-CB 3.39Å; D261-R265 PolarHBondContact O-N 3.24Å; T263-R265 PolarHBondContact O-N 3.22Å; R265-A268 PolarHBondContact O-N 3.42Å; R265-W269 VanDerWaalsContact O-CD1 3.23Å; R265-W269 PolarHBondContact O-N 2.85Å; R265-W386 HydrophobicContact CG-CZ2 4.38Å
266C82.9Confident86.4Confident65 Ų6552.1 Ų52.144%0.43926%0.262SS..Hα-helixtrans-62.3-47.4173.4-170.10000110.3K262 T263 A268 W269 L270K262-C266 PolarHBondContact O-N 3.43Å; K262-C266 VanDerWaalsContact O-N 3.14Å; T263-C266 WeakPolarHBondContact O-CB 3.21Å; T263-C266 PolarHBondContact O-N 3.18Å; C266-A268 VanDerWaalsContact C-N 3.33Å; C266-A268 PolarHBondContact O-N 3.45Å; C266-W269 PolarHBondContact O-N 3.25Å; C266-W269 VanDerWaalsContact O-N 3.16Å; C266-L270 WeakPolarHBondContact O-CG 3.16Å; C266-L270 PolarHBondContact O-N 3.43Å
267Q87.9Confident87.5Confident43 Ų4346.3 Ų46.320%0.20124%0.24CC..Hα-helixtrans-59.8-41.7177-69.6175.2-19.700112.3N158 T263 S264 W269 L270 S271N158-Q267 PolarHBondContact ND2-OE1 3.28Å; T263-Q267 WeakPolarHBondContact O-CG 3.44Å; T263-Q267 PolarHBondContact O-N 3.08Å; S264-Q267 PolarHBondContact O-N 3.33Å; Q267-W269 VanDerWaalsContact C-N 3.33Å; Q267-W269 PolarHBondContact O-N 3.42Å; Q267-L270 PolarHBondContact O-N 3.01Å; Q267-S271 WeakPolarHBondContact O-CB 3.23Å; Q267-S271 PolarHBondContact O-N 3.45Å; Q267-S271 PolarHBondContact O-OG 2.7Å
268A91.1Very high88.7Confident0 Ų042.3 Ų42.30%021%0.212CC..Hα-helixtrans-60.8-40.117600000112.3F156 A157 L260 S264 R265 C266 S271 L272 Y383 W386F156-A268 HydrophobicContact CE2-CB 4.47Å; A157-A268 HydrophobicContact CB-CB 4.23Å; L260-A268 HydrophobicContact CD1-CB 4.33Å; S264-A268 WeakPolarHBondContact O-CB 3.05Å; S264-A268 PolarHBondContact O-N 3.19Å; R265-A268 PolarHBondContact O-N 3.42Å; C266-A268 VanDerWaalsContact C-N 3.33Å; C266-A268 PolarHBondContact O-N 3.45Å; A268-S271 PolarHBondContact O-OG 3.41Å; A268-L272 WeakPolarHBondContact O-CB 3.25Å; A268-L272 PolarHBondContact O-N 3.06Å; A268-Y383 HydrophobicContact CB-CE1 4.41Å; A268-Y383 WeakPolarHBondContact O-CE1 3.38Å; A268-Y383 PolarHBondContact O-OH 2.99Å; A268-W386 HydrophobicContact CB-CH2 4.27Å; A268-W386 HydrophobicContact CB-CZ2 4.29Å
269W91.1Very high89.6Confident30 Ų3040.7 Ų40.711%0.11421%0.205CC..Hα-helixtrans-66.9-42.8174.8-83.7116.1000113.1R265 C266 Q267 L272 L273 W386 I387 V390 K394 M395 L398R265-W269 VanDerWaalsContact O-CD1 3.23Å; R265-W269 PolarHBondContact O-N 2.85Å; C266-W269 PolarHBondContact O-N 3.25Å; C266-W269 VanDerWaalsContact O-N 3.16Å; Q267-W269 VanDerWaalsContact C-N 3.33Å; Q267-W269 PolarHBondContact O-N 3.42Å; W269-L272 HydrophobicContact CE3-CD2 4.02Å; W269-L272 HydrophobicContact CZ3-CD2 3.98Å; W269-L273 WeakPolarHBondContact O-CB 3.26Å; W269-L273 PolarHBondContact O-N 3.34Å; W269-W386 AromaticContact CD1-CH2 3.93Å; W269-W386 AromaticContact CD2-CH2 3.66Å; W269-W386 HydrophobicContact CD2-CH2 3.66Å; W269-W386 HydrophobicContact CD2-CZ3 4.32Å; W269-W386 AromaticContact CE2-CH2 3.61Å; W269-W386 HydrophobicContact CE3-CH2 4.16Å; W269-W386 HydrophobicContact CE3-CZ3 4.38Å; W269-W386 AromaticContact CG-CH2 3.94Å; W269-W386 HydrophobicContact CG-CH2 3.94Å; W269-W386 HydrophobicContact CZ2-CH2 4.18Å; W269-W386 AromaticContact NE1-CH2 3.71Å; W269-I387 HydrophobicContact CH2-CD1 4.37Å; W269-I387 HydrophobicContact CZ3-CD1 4.36Å; W269-V390 HydrophobicContact CH2-CG1 3.55Å; W269-V390 HydrophobicContact CZ2-CG1 3.16Å; W269-K394 HydrophobicContact CZ2-CB 3.89Å; W269-M395 HydrophobicContact CH2-CB 4Å; W269-M395 HydrophobicContact CH2-CE 4.16Å; W269-M395 HydrophobicContact CH2-CG 4.47Å; W269-M395 HydrophobicContact CZ3-CE 4.43Å; W269-L398 HydrophobicContact CB-CD2 4.47Å; W269-L398 HydrophobicContact CD2-CD2 4.2Å; W269-L398 HydrophobicContact CE3-CD2 3.52Å; W269-L398 HydrophobicContact CZ3-CD2 4.06Å
270L92.3Very high90.6Very high12 Ų1232.9 Ų32.96%0.06316%0.164CC..Hα-helixtrans-68.2-39.4-179.6-67.2176.1000112.1C266 Q267 L273 D274 Y311 L314 V317C266-L270 WeakPolarHBondContact O-CG 3.16Å; C266-L270 PolarHBondContact O-N 3.43Å; Q267-L270 PolarHBondContact O-N 3.01Å; L270-L273 WeakPolarHBondContact O-CB 3.43Å; L270-L273 PolarHBondContact O-N 2.84Å; L270-D274 PolarHBondContact O-N 3.1Å; L270-Y311 WeakPolarHBondContact CD1-O 3.22Å; L270-L314 HydrophobicContact CD2-CB 4.44Å; L270-V317 HydrophobicContact CB-CG2 4.03Å; L270-V317 HydrophobicContact CD2-CG2 4.19Å
271S94.7Very high91.4Very high11 Ų1132.3 Ų32.38%0.07716%0.161CC..Hα-helixtrans-75.3-32.8176.145.80000112.9Q267 A268 L273 D274 I275 T304 Y383Q267-S271 WeakPolarHBondContact O-CB 3.23Å; Q267-S271 PolarHBondContact O-N 3.45Å; Q267-S271 PolarHBondContact O-OG 2.7Å; A268-S271 PolarHBondContact O-OG 3.41Å; S271-L273 VanDerWaalsContact C-N 3.28Å; S271-L273 PolarHBondContact O-N 3.48Å; S271-D274 PolarHBondContact O-N 3.06Å; S271-I275 VanDerWaalsContact O-CG1 3.32Å; S271-I275 WeakPolarHBondContact O-CG1 3.32Å; S271-I275 PolarHBondContact O-N 2.92Å; S271-I275 VanDerWaalsContact O-N 3.09Å; S271-T304 WeakPolarHBondContact CB-OG1 3.32Å; S271-Y383 PolarHBondContact OG-OH 3.5Å
272L95.9Very high92.3Very high1 Ų128.4 Ų28.41%0.00514%0.14CC..Hα-helixtrans-58.6-43.8167.1175.361.9000110.9A268 W269 I275 L276 V355 L359 Y383 W386 I387A268-L272 WeakPolarHBondContact O-CB 3.25Å; A268-L272 PolarHBondContact O-N 3.06Å; W269-L272 HydrophobicContact CE3-CD2 4.02Å; W269-L272 HydrophobicContact CZ3-CD2 3.98Å; L272-I275 PolarHBondContact O-N 3.38Å; L272-L276 HydrophobicContact CD1-CD1 4.12Å; L272-L276 HydrophobicContact CD1-CG 4.13Å; L272-L276 HydrophobicContact CG-CD1 4.01Å; L272-L276 HydrophobicContact CG-CG 4.42Å; L272-L276 VanDerWaalsContact O-CG 3.32Å; L272-L276 WeakPolarHBondContact O-CG 3.01Å; L272-L276 PolarHBondContact O-N 3.05Å; L272-V355 HydrophobicContact CD1-CG1 4.38Å; L272-V355 HydrophobicContact CD2-CG1 4.37Å; L272-L359 HydrophobicContact CD1-CD1 4.13Å; L272-L359 HydrophobicContact CD1-CD2 3.9Å; L272-L359 HydrophobicContact CD1-CG 4.42Å; L272-Y383 HydrophobicContact CB-CD1 4.12Å; L272-Y383 HydrophobicContact CB-CE1 3.76Å; L272-Y383 HydrophobicContact CD1-CD1 4.03Å; L272-Y383 HydrophobicContact CD1-CE1 4.5Å; L272-Y383 HydrophobicContact CD1-CG 4.35Å; L272-Y383 HydrophobicContact CG-CD1 4.49Å; L272-W386 HydrophobicContact CD2-CZ3 3.99Å; L272-I387 HydrophobicContact CD2-CD1 3.82Å
273L96.1Very high93.2Very high2 Ų219.6 Ų19.61%0.0110%0.102CC..Hα-helixtrans-61.9-46.1178.6178.771.2000111.7W269 L270 S271 I275 L276 L277 L314 V317 T344 L348 L402W269-L273 WeakPolarHBondContact O-CB 3.26Å; W269-L273 PolarHBondContact O-N 3.34Å; L270-L273 WeakPolarHBondContact O-CB 3.43Å; L270-L273 PolarHBondContact O-N 2.84Å; S271-L273 VanDerWaalsContact C-N 3.28Å; S271-L273 PolarHBondContact O-N 3.48Å; L273-I275 VanDerWaalsContact C-N 3.32Å; L273-I275 PolarHBondContact O-N 3Å; L273-L276 PolarHBondContact O-N 3.5Å; L273-L277 HydrophobicContact CD1-CG 4.48Å; L273-L277 HydrophobicContact CG-CD1 4.04Å; L273-L277 HydrophobicContact CG-CG 4.43Å; L273-L277 WeakPolarHBondContact O-CG 3.49Å; L273-L277 PolarHBondContact O-N 2.83Å; L273-L314 HydrophobicContact CD2-CD1 3.06Å; L273-V317 HydrophobicContact CD2-CG1 4.17Å; L273-V317 HydrophobicContact CG-CG1 4.32Å; L273-T344 HydrophobicContact CD1-CG2 3.44Å; L273-T344 VanDerWaalsContact CD1-CG2 3.44Å; L273-L348 HydrophobicContact CD1-CD1 4.23Å; L273-L402 HydrophobicContact CD1-CD1 4.18Å; L273-L402 HydrophobicContact CD1-CD2 3.75Å; L273-L402 HydrophobicContact CD2-CD1 4.14Å
274D97.6Very high94Very high0 Ų015.9 Ų15.90%08%0.078CC..Hα-helixtrans-56.1-44.6176.4179.957.9000112.2L270 S271 L277 A278 S302 G303 T304 Y311 V317L270-D274 PolarHBondContact O-N 3.1Å; S271-D274 PolarHBondContact O-N 3.06Å; D274-L277 PolarHBondContact O-N 3.01Å; D274-A278 PolarHBondContact O-N 3.41Å; D274-S302 WeakPolarHBondContact OD2-CA 3.32Å; D274-S302 WeakPolarHBondContact OD2-CB 3.15Å; D274-S302 PolarHBondContact OD2-OG 3.18Å; D274-G303 PolarHBondContact OD1-N 3.4Å; D274-G303 PolarHBondContact OD2-N 3.19Å; D274-T304 WeakPolarHBondContact OD2-CB 3.23Å; D274-T304 PolarHBondContact OD2-N 3.42Å; D274-T304 PolarHBondContact OD2-OG1 3.42Å; D274-Y311 HydrophobicContact CB-CE2 3.99Å; D274-V317 HydrophobicContact CB-CG1 3.8Å
275I98.1Very high94.5Very high0 Ų015.9 Ų15.90%08%0.078CC..Hα-helixtrans-64.4-42.9176.3-66.3165.6000111.4S271 L272 L273 L277 A278 Y279 L305 I362 I380 Y383S271-I275 VanDerWaalsContact O-CG1 3.32Å; S271-I275 WeakPolarHBondContact O-CG1 3.32Å; S271-I275 PolarHBondContact O-N 2.92Å; S271-I275 VanDerWaalsContact O-N 3.09Å; L272-I275 PolarHBondContact O-N 3.38Å; L273-I275 VanDerWaalsContact C-N 3.32Å; L273-I275 PolarHBondContact O-N 3Å; I275-L277 VanDerWaalsContact C-N 3.34Å; I275-L277 PolarHBondContact O-N 3.07Å; I275-A278 PolarHBondContact O-N 3.4Å; I275-Y279 PolarHBondContact O-N 3.3Å; I275-L305 HydrophobicContact CD1-CD2 4.17Å; I275-L305 HydrophobicContact CD1-CG 4.47Å; I275-L305 HydrophobicContact CG1-CD1 4.23Å; I275-L305 HydrophobicContact CG1-CD2 4.32Å; I275-L305 HydrophobicContact CG1-CG 4.08Å; I275-I362 HydrophobicContact CG2-CD1 3.7Å; I275-I380 HydrophobicContact CD1-CD1 4.18Å; I275-I380 HydrophobicContact CG2-CD1 4.15Å; I275-Y383 HydrophobicContact CD1-CD2 4.05Å; I275-Y383 HydrophobicContact CD1-CE2 3.77Å
276L98.1Very high95Very high0 Ų010.4 Ų10.40%06%0.06CC..Hα-helixtrans-68.7-31.6179.4-70.3175.3000112.9L272 L273 S280 T344 L348 V355 C358L272-L276 HydrophobicContact CD1-CD1 4.12Å; L272-L276 HydrophobicContact CD1-CG 4.13Å; L272-L276 HydrophobicContact CG-CD1 4.01Å; L272-L276 HydrophobicContact CG-CG 4.42Å; L272-L276 VanDerWaalsContact O-CG 3.32Å; L272-L276 WeakPolarHBondContact O-CG 3.01Å; L272-L276 PolarHBondContact O-N 3.05Å; L273-L276 PolarHBondContact O-N 3.5Å; L276-S280 VanDerWaalsContact O-CB 3.31Å; L276-S280 WeakPolarHBondContact O-CB 3.5Å; L276-S280 PolarHBondContact O-N 2.92Å; L276-S280 PolarHBondContact O-OG 3.31Å; L276-T344 HydrophobicContact CB-CG2 3.79Å; L276-T344 PolarHBondContact O-OG1 3.37Å; L276-L348 HydrophobicContact CD1-CD2 4.12Å; L276-V355 HydrophobicContact CD1-CG1 4.11Å; L276-V355 HydrophobicContact CD2-CG1 4.45Å; L276-C358 HydrophobicContact CD2-CB 4.01Å
277L98.1Very high95.5Very high0 Ų011 Ų110%06%0.056CC..Hα-helixtrans-64.9-48.4173.8-74.9164.6000110.5L273 D274 I275 Y279 S280 Y281 V317 L318 F321 V341 T344L273-L277 HydrophobicContact CD1-CG 4.48Å; L273-L277 HydrophobicContact CG-CD1 4.04Å; L273-L277 HydrophobicContact CG-CG 4.43Å; L273-L277 WeakPolarHBondContact O-CG 3.49Å; L273-L277 PolarHBondContact O-N 2.83Å; D274-L277 PolarHBondContact O-N 3.01Å; I275-L277 VanDerWaalsContact C-N 3.34Å; I275-L277 PolarHBondContact O-N 3.07Å; L277-Y279 VanDerWaalsContact C-N 3.33Å; L277-Y279 PolarHBondContact O-N 3.24Å; L277-S280 PolarHBondContact O-N 3.24Å; L277-Y281 PolarHBondContact O-N 3.41Å; L277-V317 HydrophobicContact CD1-CG1 3.8Å; L277-L318 HydrophobicContact CD1-CD2 3.9Å; L277-L318 HydrophobicContact CD2-CD2 4.41Å; L277-F321 VanDerWaalsContact C-CE2 3.48Å; L277-F321 HydrophobicContact CB-CD1 4.06Å; L277-F321 HydrophobicContact CB-CD2 3.72Å; L277-F321 HydrophobicContact CB-CE1 4.17Å; L277-F321 HydrophobicContact CB-CE2 3.86Å; L277-F321 HydrophobicContact CB-CG 3.82Å; L277-F321 HydrophobicContact CB-CZ 4.08Å; L277-F321 HydrophobicContact CD1-CB 4.19Å; L277-F321 HydrophobicContact CD1-CD1 4.27Å; L277-F321 HydrophobicContact CD1-CG 4.19Å; L277-F321 HydrophobicContact CD2-CD1 4.18Å; L277-F321 HydrophobicContact CD2-CE1 4.16Å; L277-F321 HydrophobicContact CG-CD1 4.41Å; L277-F321 HydrophobicContact CG-CG 4.47Å; L277-F321 WeakPolarHBondContact O-CE2 3.35Å; L277-V341 HydrophobicContact CD2-CB 4.31Å; L277-V341 HydrophobicContact CD2-CG2 3.74Å; L277-T344 HydrophobicContact CD2-CG2 4.35Å; L277-T344 WeakPolarHBondContact CD2-OG1 3.34Å; L277-T344 HydrophobicContact CG-CG2 4.35Å
278A98Very high95.7Very high0 Ų010.8 Ų10.80%07%0.066CC..Hα-helixtrans-58.3-44.5175.800000112.1D274 I275 Y281 E282 I298 L301D274-A278 PolarHBondContact O-N 3.41Å; I275-A278 PolarHBondContact O-N 3.4Å; A278-Y281 PolarHBondContact O-N 2.8Å; A278-E282 PolarHBondContact O-N 2.56Å; A278-I298 HydrophobicContact CB-CG2 4.42Å; A278-I298 WeakPolarHBondContact CB-O 3.39Å; A278-L301 HydrophobicContact CB-CB 3.75Å
279Y98.1Very high95.8Very high1 Ų118.4 Ų18.40%0.00410%0.102CC..Hα-helixtrans-67.2-39.6176.3173.1-99000113.2W225 I275 L277 Y281 E282 V283 I298 C358 D361 I362W225-Y279 HydrophobicContact CH2-CE1 4.19Å; W225-Y279 AromaticContact CZ3-CE1 3.79Å; W225-Y279 HydrophobicContact CZ3-CE1 3.79Å; I275-Y279 PolarHBondContact O-N 3.3Å; L277-Y279 VanDerWaalsContact C-N 3.33Å; L277-Y279 PolarHBondContact O-N 3.24Å; Y279-Y281 VanDerWaalsContact C-N 3.28Å; Y279-Y281 PolarHBondContact O-N 3.44Å; Y279-E282 PolarHBondContact O-N 3.23Å; Y279-V283 HydrophobicContact CD1-CG2 4.31Å; Y279-V283 HydrophobicContact CD2-CG2 4.21Å; Y279-V283 HydrophobicContact CE1-CG2 3.83Å; Y279-V283 HydrophobicContact CE2-CG2 3.73Å; Y279-V283 HydrophobicContact CG-CG2 4.5Å; Y279-V283 WeakPolarHBondContact O-CG2 3.37Å; Y279-V283 PolarHBondContact O-N 3.49Å; Y279-I298 HydrophobicContact CD2-CD1 4.26Å; Y279-C358 HydrophobicContact CD1-CB 3.87Å; Y279-C358 HydrophobicContact CE1-CB 3.5Å; Y279-D361 HydrophobicContact CE2-CB 4.15Å; Y279-D361 PolarHBondContact OH-OD2 3.33Å; Y279-I362 HydrophobicContact CD2-CD1 3.94Å; Y279-I362 HydrophobicContact CD2-CG1 3.39Å; Y279-I362 HydrophobicContact CE2-CG1 4.03Å; Y279-I362 HydrophobicContact CG-CD1 3.83Å; Y279-I362 HydrophobicContact CG-CG1 3.85Å
280S97.4Very high95.9Very high0 Ų020 Ų200%011%0.11CC..Hα-helixtrans-62-39.3176.8-61.20000111.8L276 L277 R284 T344L276-S280 VanDerWaalsContact O-CB 3.31Å; L276-S280 WeakPolarHBondContact O-CB 3.5Å; L276-S280 PolarHBondContact O-N 2.92Å; L276-S280 PolarHBondContact O-OG 3.31Å; L277-S280 PolarHBondContact O-N 3.24Å; S280-R284 PolarHBondContact O-N 3.42Å; S280-T344 PolarHBondContact OG-OG1 2.83Å
281Y97.9Very high95.9Very high2 Ų223.4 Ų23.41%0.00813%0.128CC..Hα-helixtrans-62.9-49.8171.9176.7-83.5000110.7L277 A278 Y279 V283 R284 S285 T297 L301 V325 P329 Y331 L336 S340L277-Y281 PolarHBondContact O-N 3.41Å; A278-Y281 PolarHBondContact O-N 2.8Å; Y279-Y281 VanDerWaalsContact C-N 3.28Å; Y279-Y281 PolarHBondContact O-N 3.44Å; Y281-V283 VanDerWaalsContact C-N 3.33Å; Y281-V283 PolarHBondContact O-N 3.31Å; Y281-R284 WeakPolarHBondContact O-CA 3.31Å; Y281-R284 WeakPolarHBondContact O-CB 3.45Å; Y281-R284 PolarHBondContact O-N 3.28Å; Y281-S285 PolarHBondContact O-N 2.62Å; Y281-S285 PolarHBondContact O-OG 3.28Å; Y281-T297 HydrophobicContact CD1-CG2 3.85Å; Y281-T297 HydrophobicContact CE1-CG2 3.85Å; Y281-L301 HydrophobicContact CD1-CD1 3.14Å; Y281-L301 HydrophobicContact CD2-CD1 4.36Å; Y281-L301 HydrophobicContact CE1-CD1 3.62Å; Y281-L301 HydrophobicContact CG-CD1 3.57Å; Y281-V325 HydrophobicContact CD2-CG1 3.93Å; Y281-V325 HydrophobicContact CD2-CG2 3.95Å; Y281-V325 HydrophobicContact CE2-CB 4.49Å; Y281-V325 HydrophobicContact CE2-CG1 3.49Å; Y281-V325 VanDerWaalsContact CE2-CG1 3.49Å; Y281-V325 HydrophobicContact CE2-CG2 4.23Å; Y281-V325 HydrophobicContact CG-CG2 4.41Å; Y281-P329 HydrophobicContact CE1-CB 3.92Å; Y281-P329 HydrophobicContact CE1-CG 4.14Å; Y281-P329 VanDerWaalsContact OH-CB 3.32Å; Y281-P329 WeakPolarHBondContact OH-CB 3.44Å; Y281-P329 VanDerWaalsContact OH-CG 3.23Å; Y281-P329 WeakPolarHBondContact OH-CG 3.21Å; Y281-Y331 PolarHBondContact OH-O 3.36Å; Y281-L336 HydrophobicContact CD2-CB 4.18Å; Y281-L336 HydrophobicContact CE2-CB 3.94Å; Y281-L336 HydrophobicContact CE2-CD1 3.99Å; Y281-S340 WeakPolarHBondContact CA-OG 3.43Å; Y281-S340 PolarHBondContact N-OG 3.03Å
282E97.3Very high95.8Very high2 Ų228.8 Ų28.81%0.00916%0.16CC..Hα-helixtrans-58.7-44.3-175.8176.453.8-16300112.6A278 Y279 R284 S285 A286 S294 T297 I298A278-E282 PolarHBondContact O-N 2.56Å; Y279-E282 PolarHBondContact O-N 3.23Å; E282-R284 PolarHBondContact O-N 2.83Å; E282-S285 VanDerWaalsContact CA-OG 3.31Å; E282-S285 WeakPolarHBondContact CA-OG 3.43Å; E282-S285 PolarHBondContact O-N 2.87Å; E282-S285 PolarHBondContact O-OG 3.02Å; E282-S285 VanDerWaalsContact O-OG 3.06Å; E282-S285 PolarHBondContact OE2-OG 2.98Å; E282-A286 VanDerWaalsContact O-CB 3.22Å; E282-A286 WeakPolarHBondContact O-CB 3.27Å; E282-A286 PolarHBondContact O-N 2.68Å; E282-S294 VanDerWaalsContact OE1-CA 3.24Å; E282-S294 WeakPolarHBondContact OE1-CA 3.21Å; E282-S294 WeakPolarHBondContact OE1-CB 3.38Å; E282-S294 PolarHBondContact OE1-OG 2.83Å; E282-T297 HydrophobicContact CB-CG2 4.44Å; E282-T297 WeakPolarHBondContact OE2-CB 3.4Å; E282-T297 WeakPolarHBondContact OE2-CG2 3.31Å; E282-T297 PolarHBondContact OE2-OG1 3.41Å; E282-I298 HydrophobicContact CB-CD1 4.39Å; E282-I298 HydrophobicContact CB-CG1 3.77Å; E282-I298 HydrophobicContact CG-CD1 4.11Å; E282-I298 HydrophobicContact CG-CG1 3.86Å
283V96.9Very high95.6Very high3 Ų333.7 Ų33.72%0.01818%0.183CC..Hα-helixtrans-61.6-29.8176.9170.10000112F221 P223 W225 Y279 Y281 E287 G288F221-V283 HydrophobicContact CE1-CG1 4.19Å; F221-V283 WeakPolarHBondContact CE1-O 3.09Å; P223-V283 HydrophobicContact CB-CG1 4.32Å; W225-V283 HydrophobicContact CH2-CB 3.59Å; W225-V283 HydrophobicContact CH2-CG1 3.46Å; W225-V283 VanDerWaalsContact CH2-CG1 3.46Å; W225-V283 HydrophobicContact CH2-CG2 3.82Å; W225-V283 HydrophobicContact CZ2-CG1 4.31Å; W225-V283 HydrophobicContact CZ3-CB 4.16Å; W225-V283 HydrophobicContact CZ3-CG1 3.8Å; W225-V283 HydrophobicContact CZ3-CG2 4.01Å; Y279-V283 HydrophobicContact CD1-CG2 4.31Å; Y279-V283 HydrophobicContact CD2-CG2 4.21Å; Y279-V283 HydrophobicContact CE1-CG2 3.83Å; Y279-V283 HydrophobicContact CE2-CG2 3.73Å; Y279-V283 HydrophobicContact CG-CG2 4.5Å; Y279-V283 WeakPolarHBondContact O-CG2 3.37Å; Y279-V283 PolarHBondContact O-N 3.49Å; Y281-V283 VanDerWaalsContact C-N 3.33Å; Y281-V283 PolarHBondContact O-N 3.31Å; V283-E287 CarbonylContact O-C 3.58Å; V283-E287 PolarHBondContact O-N 3.14Å; V283-G288 PolarHBondContact O-N 3.03Å
284R95.4Very high95.6Very high9 Ų933.6 Ų33.63%0.03418%0.183CC..Hα-helixtrans-76.2-50.2174.2-73.2-174167-75.5-10.3111.6L218 F221 P223 S280 Y281 E282 A286 E287 D343L218-R284 WeakPolarHBondContact CD2-O 3.42Å; L218-R284 PolarHBondContact O-NH1 3.31Å; F221-R284 HydrophobicContact CD1-CG 4.34Å; F221-R284 PolarHBondContact O-NH1 3.36Å; P223-R284 HydrophobicContact CG-CG 4.34Å; S280-R284 PolarHBondContact O-N 3.42Å; Y281-R284 WeakPolarHBondContact O-CA 3.31Å; Y281-R284 WeakPolarHBondContact O-CB 3.45Å; Y281-R284 PolarHBondContact O-N 3.28Å; E282-R284 PolarHBondContact O-N 2.83Å; R284-A286 PolarHBondContact O-N 2.69Å; R284-E287 PolarHBondContact O-N 3.23Å; R284-E287 VanDerWaalsContact O-N 3.1Å; R284-D343 IonicContact CZ-OD2 3.36Å; R284-D343 IonicContact NE-OD2 3.48Å; R284-D343 PolarHBondContact NE-OD2 3.41Å; R284-D343 IonicContact NH2-OD1 3.94Å; R284-D343 PolarHBondContact NH2-OD1 2.75Å; R284-D343 IonicContact NH2-OD2 2.83Å; R284-D343 PolarHBondContact NH2-OD2 3.5Å
285S95.2Very high95.4Very high23 Ų2334 Ų3416%0.16119%0.186CC..Hα-helixtrans-63.2-28.9-178.949.90000112.7Y281 E282Y281-S285 PolarHBondContact O-N 2.62Å; Y281-S285 PolarHBondContact O-OG 3.28Å; E282-S285 VanDerWaalsContact CA-OG 3.31Å; E282-S285 WeakPolarHBondContact CA-OG 3.43Å; E282-S285 PolarHBondContact O-N 2.87Å; E282-S285 PolarHBondContact O-OG 3.02Å; E282-S285 VanDerWaalsContact O-OG 3.06Å; E282-S285 PolarHBondContact OE2-OG 2.98Å
286A95.2Very high95.3Very high14 Ų1437.8 Ų37.812%0.11620%0.2CC..THydrogen-bonded Turntrans-99.46.9177.400000113.4E282 R284 G288 E289E282-A286 VanDerWaalsContact O-CB 3.22Å; E282-A286 WeakPolarHBondContact O-CB 3.27Å; E282-A286 PolarHBondContact O-N 2.68Å; R284-A286 PolarHBondContact O-N 2.69Å; A286-G288 PolarHBondContact O-N 3.32Å; A286-E289 VanDerWaalsContact CB-O 3.3Å; A286-E289 WeakPolarHBondContact CB-O 3.45Å; A286-E289 PolarHBondContact O-N 2.99Å
287E93.7Very high95.2Very high77 Ų7738.4 Ų38.436%0.3620%0.204SC..THydrogen-bonded Turntrans50.430.6179.5-58.7-1757800114.1R217 L218 F221 V283 R284R217-E287 IonicContact CZ-OE2 2.71Å; R217-E287 IonicContact NE-OE1 3.75Å; R217-E287 IonicContact NE-OE2 2.56Å; R217-E287 PolarHBondContact NE-OE2 3.29Å; R217-E287 IonicContact NH2-OE2 3.28Å; R217-E287 PolarHBondContact NH2-OE2 3.24Å; L218-E287 HydrophobicContact CD2-CG 3.8Å; F221-E287 HydrophobicContact CD2-CB 4.05Å; F221-E287 HydrophobicContact CD2-CG 4.39Å; F221-E287 VanDerWaalsContact CE2-C 3.42Å; F221-E287 HydrophobicContact CE2-CB 4.09Å; F221-E287 WeakPolarHBondContact CE2-O 3.37Å; F221-E287 VanDerWaalsContact CZ-O 3.28Å; F221-E287 WeakPolarHBondContact CZ-O 3.49Å; V283-E287 CarbonylContact O-C 3.58Å; V283-E287 PolarHBondContact O-N 3.14Å; R284-E287 PolarHBondContact O-N 3.23Å; R284-E287 VanDerWaalsContact O-N 3.1Å
288G91.8Very high95.2Very high39 Ų3938.4 Ų38.440%0.40220%0.204SC..THydrogen-bonded Turntrans93.4-5.5178.800000116.3V283 A286V283-G288 PolarHBondContact O-N 3.03Å; A286-G288 PolarHBondContact O-N 3.32Å
289E92.7Very high95Very high161 Ų16139.6 Ų39.675%0.75221%0.208SC*.  trans-118.6113.1-178.6-65.5-171.1173.700111.6A286A286-E289 VanDerWaalsContact CB-O 3.3Å; A286-E289 WeakPolarHBondContact CB-O 3.45Å; A286-E289 PolarHBondContact O-N 2.99Å
290H93.5Very high94.9Very high64 Ų6441 Ų4130%0.29621%0.214SC..  trans-64.1143.2-179.4-59-60.9000112.3S294 D361 V365H290-S294 WeakPolarHBondContact CA-OG 3.46Å; H290-D361 IonicContact CD2-OD1 3.03Å; H290-D361 IonicContact CD2-OD2 2.82Å; H290-D361 IonicContact CE1-OD2 3.83Å; H290-D361 VanDerWaalsContact NE2-CG 3.28Å; H290-D361 IonicContact NE2-OD1 3.04Å; H290-D361 PolarHBondContact NE2-OD1 3.33Å; H290-D361 IonicContact NE2-OD2 2.83Å; H290-D361 PolarHBondContact NE2-OD2 3.26Å; H290-V365 HydrophobicContact CB-CG2 4.24Å
291N92.7Very high94.9Very high83 Ų8341 Ų4144%0.44421%0.214SC..  trans-121.7-174.4176.163.651.5000110.5E293 S294N291-E293 PolarHBondContact O-N 3.47Å; N291-E293 WeakPolarHBondContact OD1-CA 3.42Å; N291-E293 WeakPolarHBondContact OD1-CB 3.48Å; N291-E293 PolarHBondContact OD1-N 2.76Å; N291-S294 PolarHBondContact N-OG 3.47Å; N291-S294 WeakPolarHBondContact O-CB 3.34Å; N291-S294 PolarHBondContact O-N 3.15Å; N291-S294 PolarHBondContact O-OG 3.41Å; N291-S294 PolarHBondContact OD1-N 3.07Å; N291-S294 VanDerWaalsContact OD1-N 3.13Å; N291-S294 PolarHBondContact OD1-OG 3.42Å
292V91.8Very high94.9Very high123 Ų12340.9 Ų40.975%0.74521%0.214SC*.THydrogen-bonded Turntrans-65.5-23.2-177.7-610000113.7
293E92.9Very high94.7Very high104 Ų10440.8 Ų40.849%0.48621%0.214SC..THydrogen-bonded Turntrans-90.8-13.2178.2-60.6-56.6146.600112.7N291 P295 W296 T297N291-E293 PolarHBondContact O-N 3.47Å; N291-E293 WeakPolarHBondContact OD1-CA 3.42Å; N291-E293 WeakPolarHBondContact OD1-CB 3.48Å; N291-E293 PolarHBondContact OD1-N 2.76Å; E293-P295 VanDerWaalsContact C-CD 3.47Å; E293-W296 CarbonylContact O-C 3.52Å; E293-W296 VanDerWaalsContact O-CA 3.3Å; E293-W296 WeakPolarHBondContact O-CA 3.41Å; E293-W296 VanDerWaalsContact O-CB 3.28Å; E293-W296 WeakPolarHBondContact O-CB 3.31Å; E293-W296 PolarHBondContact O-N 3.06Å; E293-T297 PolarHBondContact O-N 3.34Å; E293-T297 PolarHBondContact O-OG1 3.15Å
294S95.3Very high94.6Very high0 Ų040.8 Ų40.80%021%0.213CC..Hα-helixtrans-53.5-44.2179.3-57.20000114.1E282 H290 N291 W296 T297 I298E282-S294 VanDerWaalsContact OE1-CA 3.24Å; E282-S294 WeakPolarHBondContact OE1-CA 3.21Å; E282-S294 WeakPolarHBondContact OE1-CB 3.38Å; E282-S294 PolarHBondContact OE1-OG 2.83Å; H290-S294 WeakPolarHBondContact CA-OG 3.46Å; N291-S294 PolarHBondContact N-OG 3.47Å; N291-S294 WeakPolarHBondContact O-CB 3.34Å; N291-S294 PolarHBondContact O-N 3.15Å; N291-S294 PolarHBondContact O-OG 3.41Å; N291-S294 PolarHBondContact OD1-N 3.07Å; N291-S294 VanDerWaalsContact OD1-N 3.13Å; N291-S294 PolarHBondContact OD1-OG 3.42Å; S294-W296 PolarHBondContact O-N 2.6Å; S294-T297 PolarHBondContact O-N 3.05Å; S294-I298 VanDerWaalsContact O-CG1 3.29Å; S294-I298 WeakPolarHBondContact O-CG1 3.32Å; S294-I298 PolarHBondContact O-N 3.23Å
295P94.6Very high94.6Very high10 Ų1040.3 Ų40.37%0.06521%0.212CC..Hα-helixtrans-58.4-38.5172.3-17.827.5000112.4E293 R299 V365 F366 N369 A372E293-P295 VanDerWaalsContact C-CD 3.47Å; P295-R299 WeakPolarHBondContact O-CB 3.27Å; P295-R299 VanDerWaalsContact O-CG 3.26Å; P295-R299 WeakPolarHBondContact O-CG 3.16Å; P295-R299 PolarHBondContact O-N 3.5Å; P295-R299 VanDerWaalsContact O-N 3.16Å; P295-V365 HydrophobicContact CB-CG1 4Å; P295-V365 HydrophobicContact CG-CG1 3.56Å; P295-F366 HydrophobicContact CB-CD1 4.17Å; P295-F366 HydrophobicContact CB-CE1 4.39Å; P295-N369 HydrophobicContact CB-CB 3.94Å; P295-N369 HydrophobicContact CG-CB 3.82Å; P295-A372 HydrophobicContact CB-CB 4.45Å
296W95.1Very high94.5Very high78 Ų7839.2 Ų39.230%0.29520%0.204SC..Hα-helixtrans-69.5-44.6179.3-175.7109.6000112E293 S294 R299 K300E293-W296 CarbonylContact O-C 3.52Å; E293-W296 VanDerWaalsContact O-CA 3.3Å; E293-W296 WeakPolarHBondContact O-CA 3.41Å; E293-W296 VanDerWaalsContact O-CB 3.28Å; E293-W296 WeakPolarHBondContact O-CB 3.31Å; E293-W296 PolarHBondContact O-N 3.06Å; S294-W296 PolarHBondContact O-N 2.6Å; W296-R299 VanDerWaalsContact O-CG 3.25Å; W296-R299 WeakPolarHBondContact O-CG 3.44Å; W296-K300 HydrophobicContact CD2-CB 4.33Å; W296-K300 HydrophobicContact CD2-CG 3.7Å; W296-K300 HydrophobicContact CE3-CB 4.3Å; W296-K300 HydrophobicContact CE3-CG 4.16Å; W296-K300 HydrophobicContact CG-CG 4.17Å; W296-K300 HydrophobicContact CH2-CB 4.43Å; W296-K300 HydrophobicContact CH2-CG 4.26Å; W296-K300 HydrophobicContact CZ2-CB 4.48Å; W296-K300 HydrophobicContact CZ2-CD 4.41Å; W296-K300 HydrophobicContact CZ2-CG 3.82Å; W296-K300 HydrophobicContact CZ3-CB 4.35Å; W296-K300 HydrophobicContact CZ3-CG 4.42Å; W296-K300 WeakPolarHBondContact O-CB 3.43Å; W296-K300 VanDerWaalsContact O-CG 3.23Å; W296-K300 WeakPolarHBondContact O-CG 3.32Å; W296-K300 PolarHBondContact O-N 3.32Å
297T96.2Very high94.4Very high13 Ų1339.5 Ų39.58%0.0820%0.202CC..Hα-helixtrans-63.6-48.2179.1-550000110.8Y281 E282 E293 S294 R299 K300 L301Y281-T297 HydrophobicContact CD1-CG2 3.85Å; Y281-T297 HydrophobicContact CE1-CG2 3.85Å; E282-T297 HydrophobicContact CB-CG2 4.44Å; E282-T297 WeakPolarHBondContact OE2-CB 3.4Å; E282-T297 WeakPolarHBondContact OE2-CG2 3.31Å; E282-T297 PolarHBondContact OE2-OG1 3.41Å; E293-T297 PolarHBondContact O-N 3.34Å; E293-T297 PolarHBondContact O-OG1 3.15Å; S294-T297 PolarHBondContact O-N 3.05Å; T297-R299 PolarHBondContact O-N 3.28Å; T297-K300 PolarHBondContact O-N 2.92Å; T297-L301 HydrophobicContact CG2-CD1 3.58Å; T297-L301 HydrophobicContact CG2-CG 4.11Å; T297-L301 WeakPolarHBondContact O-CB 3.37Å; T297-L301 VanDerWaalsContact O-CG 3.27Å; T297-L301 WeakPolarHBondContact O-CG 3.34Å; T297-L301 PolarHBondContact O-N 3.49Å
298I96.8Very high94.3Very high0 Ų035.9 Ų35.90%019%0.185CC..Hα-helixtrans-61.6-47.3-179.1-62.1166.6000110.6A278 Y279 E282 S294 S302 L305 I362 V365 F366A278-I298 HydrophobicContact CB-CG2 4.42Å; A278-I298 WeakPolarHBondContact CB-O 3.39Å; Y279-I298 HydrophobicContact CD2-CD1 4.26Å; E282-I298 HydrophobicContact CB-CD1 4.39Å; E282-I298 HydrophobicContact CB-CG1 3.77Å; E282-I298 HydrophobicContact CG-CD1 4.11Å; E282-I298 HydrophobicContact CG-CG1 3.86Å; S294-I298 VanDerWaalsContact O-CG1 3.29Å; S294-I298 WeakPolarHBondContact O-CG1 3.32Å; S294-I298 PolarHBondContact O-N 3.23Å; I298-S302 WeakPolarHBondContact O-CB 3.44Å; I298-S302 PolarHBondContact O-N 2.8Å; I298-L305 HydrophobicContact CG2-CD1 4.29Å; I298-I362 HydrophobicContact CD1-CG1 4.48Å; I298-I362 HydrophobicContact CG2-CG2 4.33Å; I298-V365 HydrophobicContact CD1-CG1 4.28Å; I298-F366 HydrophobicContact CB-CE1 4.18Å; I298-F366 HydrophobicContact CB-CZ 4.15Å; I298-F366 HydrophobicContact CG2-CE1 4.22Å; I298-F366 HydrophobicContact CG2-CZ 3.72Å
299R95.2Very high94.3Very high26 Ų2634.4 Ų34.410%0.09817%0.168CC..Hα-helixtrans-66.5-40.218076.1-171.4-179.3164.19.9111.6D173 P295 W296 T297 S302 C306 L375D173-R299 PolarHBondContact O-NH1 3.06Å; D173-R299 PolarHBondContact O-NH2 3.34Å; P295-R299 WeakPolarHBondContact O-CB 3.27Å; P295-R299 VanDerWaalsContact O-CG 3.26Å; P295-R299 WeakPolarHBondContact O-CG 3.16Å; P295-R299 PolarHBondContact O-N 3.5Å; P295-R299 VanDerWaalsContact O-N 3.16Å; W296-R299 VanDerWaalsContact O-CG 3.25Å; W296-R299 WeakPolarHBondContact O-CG 3.44Å; T297-R299 PolarHBondContact O-N 3.28Å; R299-S302 VanDerWaalsContact O-O 3.11Å; R299-C306 VanDerWaalsContact O-CB 3.25Å; R299-C306 WeakPolarHBondContact O-CB 3.23Å; R299-C306 PolarHBondContact O-SG 2.71Å; R299-L375 HydrophobicContact CB-CD1 4.09Å
300K95.8Very high94.1Very high29 Ų2928.3 Ų28.313%0.12614%0.142CC..Hα-helixtrans-77-26.3-176.8-73.3-69.8-179.1170.20112.6D176 W296 T297 R324D176-K300 VanDerWaalsContact CG-NZ 3.31Å; D176-K300 IonicContact OD1-NZ 3.59Å; D176-K300 PolarHBondContact OD1-NZ 3.13Å; D176-K300 IonicContact OD2-NZ 2.74Å; D176-K300 PolarHBondContact OD2-NZ 2.69Å; W296-K300 HydrophobicContact CD2-CB 4.33Å; W296-K300 HydrophobicContact CD2-CG 3.7Å; W296-K300 HydrophobicContact CE3-CB 4.3Å; W296-K300 HydrophobicContact CE3-CG 4.16Å; W296-K300 HydrophobicContact CG-CG 4.17Å; W296-K300 HydrophobicContact CH2-CB 4.43Å; W296-K300 HydrophobicContact CH2-CG 4.26Å; W296-K300 HydrophobicContact CZ2-CB 4.48Å; W296-K300 HydrophobicContact CZ2-CD 4.41Å; W296-K300 HydrophobicContact CZ2-CG 3.82Å; W296-K300 HydrophobicContact CZ3-CB 4.35Å; W296-K300 HydrophobicContact CZ3-CG 4.42Å; W296-K300 WeakPolarHBondContact O-CB 3.43Å; W296-K300 VanDerWaalsContact O-CG 3.23Å; W296-K300 WeakPolarHBondContact O-CG 3.32Å; W296-K300 PolarHBondContact O-N 3.32Å; T297-K300 PolarHBondContact O-N 2.92Å; K300-R324 PolarHBondContact O-NE 2.9Å; K300-R324 PolarHBondContact O-NH2 3.04Å
301L97.3Very high93.8Very high1 Ų125.7 Ų25.71%0.00513%0.129CC..Hα-helixtrans-84.5-24.6176.5-65.3-177.1000113.1A278 Y281 T297 F321 R324 V325 P329A278-L301 HydrophobicContact CB-CB 3.75Å; Y281-L301 HydrophobicContact CD1-CD1 3.14Å; Y281-L301 HydrophobicContact CD2-CD1 4.36Å; Y281-L301 HydrophobicContact CE1-CD1 3.62Å; Y281-L301 HydrophobicContact CG-CD1 3.57Å; T297-L301 HydrophobicContact CG2-CD1 3.58Å; T297-L301 HydrophobicContact CG2-CG 4.11Å; T297-L301 WeakPolarHBondContact O-CB 3.37Å; T297-L301 VanDerWaalsContact O-CG 3.27Å; T297-L301 WeakPolarHBondContact O-CG 3.34Å; T297-L301 PolarHBondContact O-N 3.49Å; L301-F321 HydrophobicContact CB-CD2 4.49Å; L301-F321 HydrophobicContact CB-CE2 4.42Å; L301-R324 HydrophobicContact CD2-CB 4.12Å; L301-V325 HydrophobicContact CD1-CG2 4.06Å; L301-V325 HydrophobicContact CD2-CB 4.44Å; L301-V325 HydrophobicContact CD2-CG2 3.88Å; L301-P329 HydrophobicContact CD2-CG 4.12Å
302S97.2Very high93.4Very high0 Ų025.5 Ų25.50%014%0.135CC..  trans-88110.4175172.10000111.6D274 I298 R299 T304 L305 C306D274-S302 WeakPolarHBondContact OD2-CA 3.32Å; D274-S302 WeakPolarHBondContact OD2-CB 3.15Å; D274-S302 PolarHBondContact OD2-OG 3.18Å; I298-S302 WeakPolarHBondContact O-CB 3.44Å; I298-S302 PolarHBondContact O-N 2.8Å; R299-S302 VanDerWaalsContact O-O 3.11Å; S302-T304 PolarHBondContact O-N 2.95Å; S302-L305 PolarHBondContact O-N 3.01Å; S302-L305 WeakPolarHBondContact OG-CG 3.25Å; S302-L305 PolarHBondContact OG-N 2.9Å; S302-C306 PolarHBondContact O-N 3.09Å; S302-C306 VanDerWaalsContact O-N 3.14Å; S302-C306 PolarHBondContact O-SG 3.04Å
303G94.6Very high93.1Very high0 Ų022.1 Ų22.10%012%0.116CC..Hα-helixtrans-64.9-24175.300000113.1D274 W307 L308 E309 Y311D274-G303 PolarHBondContact OD1-N 3.4Å; D274-G303 PolarHBondContact OD2-N 3.19Å; G303-W307 CarbonylContact O-C 3.43Å; G303-W307 WeakPolarHBondContact O-CA 3.16Å; G303-W307 WeakPolarHBondContact O-CB 3.32Å; G303-W307 PolarHBondContact O-N 3.46Å; G303-L308 PolarHBondContact O-N 2.65Å; G303-E309 PolarHBondContact O-N 2.98Å; G303-Y311 VanDerWaalsContact CA-OH 3.3Å; G303-Y311 WeakPolarHBondContact CA-OH 3.19Å
304T95Very high92.9Very high2 Ų218.3 Ų18.31%0.01210%0.098CC..Hα-helixtrans-60.8-44.1169.3-53.80000111.5S271 D274 S302 L308 Y379S271-T304 WeakPolarHBondContact CB-OG1 3.32Å; D274-T304 WeakPolarHBondContact OD2-CB 3.23Å; D274-T304 PolarHBondContact OD2-N 3.42Å; D274-T304 PolarHBondContact OD2-OG1 3.42Å; S302-T304 PolarHBondContact O-N 2.95Å; T304-L308 VanDerWaalsContact O-CA 3.22Å; T304-L308 WeakPolarHBondContact O-CA 3.36Å; T304-L308 PolarHBondContact O-N 3.44Å; T304-Y379 HydrophobicContact CG2-CD1 3.93Å; T304-Y379 HydrophobicContact CG2-CE1 3.44Å; T304-Y379 VanDerWaalsContact CG2-CE1 3.44Å; T304-Y379 PolarHBondContact O-OH 3.37Å
305L94.3Very high92.6Very high0 Ų022.1 Ų22.10%011%0.113CC..Hα-helixtrans-80.8-47.2-173.4-65.8178.3000112.2I275 I298 S302 F366 L375 Y379I275-L305 HydrophobicContact CD1-CD2 4.17Å; I275-L305 HydrophobicContact CD1-CG 4.47Å; I275-L305 HydrophobicContact CG1-CD1 4.23Å; I275-L305 HydrophobicContact CG1-CD2 4.32Å; I275-L305 HydrophobicContact CG1-CG 4.08Å; I298-L305 HydrophobicContact CG2-CD1 4.29Å; S302-L305 PolarHBondContact O-N 3.01Å; S302-L305 WeakPolarHBondContact OG-CG 3.25Å; S302-L305 PolarHBondContact OG-N 2.9Å; L305-F366 HydrophobicContact CD1-CE2 3.89Å; L305-F366 HydrophobicContact CD1-CZ 3.78Å; L305-L375 HydrophobicContact CB-CD1 4.25Å; L305-L375 HydrophobicContact CD2-CB 4.45Å; L305-L375 HydrophobicContact CD2-CD1 4.37Å; L305-L375 HydrophobicContact CD2-CD2 4.31Å; L305-Y379 HydrophobicContact CD2-CD2 3.84Å; L305-Y379 HydrophobicContact CD2-CE2 4.47Å; L305-Y379 HydrophobicContact CD2-CG 3.98Å
306C93.1Very high92.4Very high0 Ų023.9 Ų23.90%012%0.122CC..Hα-helixtrans-88.5-28.3-176.155.50000114.4I175 D176 R299 S302 R324I175-C306 VanDerWaalsContact CG2-O 3.3Å; I175-C306 WeakPolarHBondContact CG2-O 3.3Å; D176-C306 PolarHBondContact N-O 2.95Å; R299-C306 VanDerWaalsContact O-CB 3.25Å; R299-C306 WeakPolarHBondContact O-CB 3.23Å; R299-C306 PolarHBondContact O-SG 2.71Å; S302-C306 PolarHBondContact O-N 3.09Å; S302-C306 VanDerWaalsContact O-N 3.14Å; S302-C306 PolarHBondContact O-SG 3.04Å; C306-R324 PolarHBondContact SG-NH2 3.39Å
307W93.8Very high92.4Very high19 Ų1920.1 Ų20.17%0.07211%0.108CC..SBendtrans-111.4-1-179.2-80.388.9000114D176 V177 R188 A191 R192 A195 G303 E309 R324D176-W307 HydrophobicContact CB-CD2 4.06Å; D176-W307 VanDerWaalsContact CB-CE2 3.42Å; D176-W307 HydrophobicContact CB-CG 4.45Å; D176-W307 HydrophobicContact CB-CH2 4.34Å; D176-W307 HydrophobicContact CB-CZ2 3.61Å; D176-W307 PolarHBondContact OD2-NE1 3.3Å; V177-W307 HydrophobicContact CG2-CB 4.46Å; V177-W307 HydrophobicContact CG2-CD2 4.21Å; V177-W307 HydrophobicContact CG2-CE3 3.54Å; V177-W307 HydrophobicContact CG2-CZ3 4.1Å; V177-W307 VanDerWaalsContact CG2-O 3.31Å; V177-W307 WeakPolarHBondContact CG2-O 3.25Å; R188-W307 WeakPolarHBondContact CD-O 3.26Å; A191-W307 HydrophobicContact CB-CH2 3.85Å; A191-W307 HydrophobicContact CB-CZ3 3.55Å; R192-W307 HydrophobicContact CB-CD2 3.52Å; R192-W307 HydrophobicContact CB-CE3 3.82Å; R192-W307 HydrophobicContact CB-CG 3.82Å; R192-W307 HydrophobicContact CB-CZ2 4.28Å; R192-W307 HydrophobicContact CB-CZ3 4.33Å; R192-W307 HydrophobicContact CG-CD2 3.91Å; R192-W307 HydrophobicContact CG-CG 3.77Å; A195-W307 HydrophobicContact CB-CH2 4.28Å; A195-W307 HydrophobicContact CB-CZ2 3.72Å; G303-W307 CarbonylContact O-C 3.43Å; G303-W307 WeakPolarHBondContact O-CA 3.16Å; G303-W307 WeakPolarHBondContact O-CB 3.32Å; G303-W307 PolarHBondContact O-N 3.46Å; W307-E309 HydrophobicContact CB-CB 4.5Å; W307-E309 PolarHBondContact O-N 2.66Å; W307-E309 VanDerWaalsContact O-N 3.13Å; W307-R324 VanDerWaalsContact CD1-NH1 3.31Å
308L91.9Very high92.4Very high1 Ų119.5 Ų19.51%0.00510%0.104CC..  trans48.938.2-173.5-50.6176.8000111.1Y154 F164 I175 P180 R188 G303 T304 Y379Y154-L308 HydrophobicContact CD1-CD1 4.28Å; Y154-L308 HydrophobicContact CG-CD1 4.02Å; F164-L308 HydrophobicContact CE1-CD1 4.43Å; F164-L308 HydrophobicContact CE2-CD1 3.68Å; F164-L308 HydrophobicContact CZ-CD1 3.56Å; F164-L308 HydrophobicContact CZ-CD2 4.34Å; F164-L308 HydrophobicContact CZ-CG 4.49Å; I175-L308 HydrophobicContact CD1-CD2 3.89Å; I175-L308 HydrophobicContact CD1-CG 4.36Å; I175-L308 HydrophobicContact CG2-CD1 4.47Å; I175-L308 HydrophobicContact CG2-CG 4.34Å; P180-L308 HydrophobicContact CB-CD1 3.35Å; P180-L308 HydrophobicContact CG-CD1 4.13Å; R188-L308 PolarHBondContact NH1-O 3.11Å; G303-L308 PolarHBondContact O-N 2.65Å; T304-L308 VanDerWaalsContact O-CA 3.22Å; T304-L308 WeakPolarHBondContact O-CA 3.36Å; T304-L308 PolarHBondContact O-N 3.44Å; L308-Y379 HydrophobicContact CD2-CE2 3.8Å; L308-Y379 WeakPolarHBondContact CD2-OH 3.46Å
309E90.3Very high92.3Very high8 Ų820.9 Ų20.94%0.03711%0.112CC..  trans-74146.8-174.6-176.1164-161.600111.2R189 R192 G303 W307 Y311R189-E309 IonicContact CZ-OE1 3.57Å; R189-E309 IonicContact NE-OE1 2.81Å; R189-E309 PolarHBondContact NE-OE1 3.07Å; R189-E309 IonicContact NH2-OE1 3.53Å; R192-E309 IonicContact CZ-OE2 3.85Å; R192-E309 IonicContact NE-OE1 2.71Å; R192-E309 IonicContact NE-OE2 3.62Å; R192-E309 PolarHBondContact NE-OE2 3.43Å; R192-E309 IonicContact NH2-OE1 3.22Å; R192-E309 PolarHBondContact NH2-OE1 3.23Å; R192-E309 IonicContact NH2-OE2 3.64Å; R192-E309 PolarHBondContact NH2-OE2 2.99Å; G303-E309 PolarHBondContact O-N 2.98Å; W307-E309 HydrophobicContact CB-CB 4.5Å; W307-E309 PolarHBondContact O-N 2.66Å; W307-E309 VanDerWaalsContact O-N 3.13Å; E309-Y311 HydrophobicContact CB-CE2 4.39Å; E309-Y311 VanDerWaalsContact CD-CE1 3.46Å; E309-Y311 HydrophobicContact CG-CD1 4.25Å; E309-Y311 HydrophobicContact CG-CE1 3.88Å; E309-Y311 HydrophobicContact CG-CE2 4.41Å; E309-Y311 WeakPolarHBondContact OE2-CE1 3.43Å; E309-Y311 PolarHBondContact OE2-OH 3.33Å
310T88.4Confident92.3Very high34 Ų3419.6 Ų19.621%0.20911%0.107CC..  trans-113.4124.1170.758.80000108.9N158 R189N158-T310 WeakPolarHBondContact ND2-CG2 3.44Å; N158-T310 WeakPolarHBondContact OD1-CG2 3.36Å; R189-T310 PolarHBondContact NH2-O 3.47Å; R189-T310 VanDerWaalsContact NH2-O 3.14Å
311Y87.5Confident92.4Very high8 Ų818.2 Ų18.23%0.03110%0.101CC..  trans-93.9143.6-178.2-60.7-75.8000111.3L270 D274 G303 E309 D316 V317 S320L270-Y311 WeakPolarHBondContact CD1-O 3.22Å; D274-Y311 HydrophobicContact CB-CE2 3.99Å; G303-Y311 VanDerWaalsContact CA-OH 3.3Å; G303-Y311 WeakPolarHBondContact CA-OH 3.19Å; E309-Y311 HydrophobicContact CB-CE2 4.39Å; E309-Y311 VanDerWaalsContact CD-CE1 3.46Å; E309-Y311 HydrophobicContact CG-CD1 4.25Å; E309-Y311 HydrophobicContact CG-CE1 3.88Å; E309-Y311 HydrophobicContact CG-CE2 4.41Å; E309-Y311 WeakPolarHBondContact OE2-CE1 3.43Å; E309-Y311 PolarHBondContact OE2-OH 3.33Å; Y311-D316 HydrophobicContact CD1-CB 3.99Å; Y311-V317 HydrophobicContact CD1-CG2 3.87Å; Y311-V317 HydrophobicContact CD2-CG2 3.72Å; Y311-V317 HydrophobicContact CE1-CG2 4.5Å; Y311-V317 HydrophobicContact CE2-CG2 4.35Å; Y311-V317 HydrophobicContact CG-CB 4.48Å; Y311-V317 HydrophobicContact CG-CG2 3.44Å; Y311-V317 VanDerWaalsContact CG-CG2 3.44Å; Y311-S320 PolarHBondContact OH-OG 3.44Å
312S83.8Confident92.4Very high80 Ų8018.2 Ų18.256%0.55910%0.101SC*.SBendtrans-93-34.8178.119.80000111.9D316S312-D316 PolarHBondContact OG-OD2 3.44Å
313C85.5Confident92.4Very high51 Ų5118.7 Ų18.735%0.34510%0.103SC..SBendtrans-147.3167.8-178.5740000112R315 D316C313-R315 VanDerWaalsContact C-N 3.29Å; C313-R315 PolarHBondContact O-N 3.35Å; C313-D316 PolarHBondContact N-OD2 3.42Å; C313-D316 PolarHBondContact O-N 2.69Å; C313-D316 PolarHBondContact SG-OD1 2.89Å; C313-D316 PolarHBondContact SG-OD2 2.83Å
314L88.9Confident92.5Very high24 Ų2418.7 Ų18.713%0.12610%0.103CC..Hα-helixtrans-60.3-38.4178.717759.5000112.6L270 L273 D316 V317 L318 M401 L402 T405L270-L314 HydrophobicContact CD2-CB 4.44Å; L273-L314 HydrophobicContact CD2-CD1 3.06Å; L314-D316 VanDerWaalsContact C-N 3.34Å; L314-D316 PolarHBondContact O-N 2.65Å; L314-V317 WeakPolarHBondContact O-CB 3.3Å; L314-V317 PolarHBondContact O-N 3.47Å; L314-L318 HydrophobicContact CG-CD1 4.44Å; L314-L318 WeakPolarHBondContact O-CG 3.25Å; L314-L318 PolarHBondContact O-N 3.17Å; L314-M401 HydrophobicContact CD2-CB 3.98Å; L314-L402 HydrophobicContact CD1-CD1 4.02Å; L314-T405 VanDerWaalsContact CD2-OG1 3.29Å; L314-T405 WeakPolarHBondContact CD2-OG1 3.29Å
315R88.9Confident92.7Very high80 Ų8018.6 Ų18.630%0.30210%0.102SC..Hα-helixtrans-60.6-44.3-179.7-178.258.9154.7-152.4-12.1111.7C313 V317 L318 V319 L406 D411C313-R315 VanDerWaalsContact C-N 3.29Å; C313-R315 PolarHBondContact O-N 3.35Å; R315-V317 VanDerWaalsContact C-N 3.28Å; R315-V317 PolarHBondContact O-N 2.81Å; R315-L318 PolarHBondContact O-N 3.41Å; R315-V319 HydrophobicContact CG-CG2 4.37Å; R315-V319 WeakPolarHBondContact O-CG2 3.44Å; R315-V319 PolarHBondContact O-N 3.37Å; R315-L406 PolarHBondContact NH1-O 2.85Å; R315-D411 VanDerWaalsContact CZ-CG 3.47Å; R315-D411 IonicContact CZ-OD1 3.62Å; R315-D411 IonicContact CZ-OD2 3.14Å; R315-D411 IonicContact NE-OD2 3.95Å; R315-D411 IonicContact NH1-OD2 3.51Å; R315-D411 IonicContact NH2-OD1 2.73Å; R315-D411 PolarHBondContact NH2-OD1 2.91Å; R315-D411 IonicContact NH2-OD2 2.61Å; R315-D411 PolarHBondContact NH2-OD2 2.87Å
316D90.9Very high92.8Very high47 Ų4718.6 Ų18.625%0.25110%0.102SC..Hα-helixtrans-60.5-39.1179.2-58.3-24.5000111.7Y311 S312 C313 L314 S320Y311-D316 HydrophobicContact CD1-CB 3.99Å; S312-D316 PolarHBondContact OG-OD2 3.44Å; C313-D316 PolarHBondContact N-OD2 3.42Å; C313-D316 PolarHBondContact O-N 2.69Å; C313-D316 PolarHBondContact SG-OD1 2.89Å; C313-D316 PolarHBondContact SG-OD2 2.83Å; L314-D316 VanDerWaalsContact C-N 3.34Å; L314-D316 PolarHBondContact O-N 2.65Å; D316-S320 WeakPolarHBondContact O-CB 3.38Å; D316-S320 PolarHBondContact O-N 3Å
317V95.1Very high93Very high0 Ų018.6 Ų18.60%010%0.102CC..Hα-helixtrans-62-48.4176.3178.20000110.3L270 L273 D274 L277 Y311 L314 R315 S320 F321L270-V317 HydrophobicContact CB-CG2 4.03Å; L270-V317 HydrophobicContact CD2-CG2 4.19Å; L273-V317 HydrophobicContact CD2-CG1 4.17Å; L273-V317 HydrophobicContact CG-CG1 4.32Å; D274-V317 HydrophobicContact CB-CG1 3.8Å; L277-V317 HydrophobicContact CD1-CG1 3.8Å; Y311-V317 HydrophobicContact CD1-CG2 3.87Å; Y311-V317 HydrophobicContact CD2-CG2 3.72Å; Y311-V317 HydrophobicContact CE1-CG2 4.5Å; Y311-V317 HydrophobicContact CE2-CG2 4.35Å; Y311-V317 HydrophobicContact CG-CB 4.48Å; Y311-V317 HydrophobicContact CG-CG2 3.44Å; Y311-V317 VanDerWaalsContact CG-CG2 3.44Å; L314-V317 WeakPolarHBondContact O-CB 3.3Å; L314-V317 PolarHBondContact O-N 3.47Å; R315-V317 VanDerWaalsContact C-N 3.28Å; R315-V317 PolarHBondContact O-N 2.81Å; V317-S320 PolarHBondContact O-N 2.92Å; V317-F321 WeakPolarHBondContact O-CB 3.22Å; V317-F321 PolarHBondContact O-N 3.16Å
318L95.5Very high93.1Very high0 Ų019.5 Ų19.50%011%0.106CC..Hα-helixtrans-65.7-42.1-178.4-66.5-179.6000112.7L277 L314 R315 G322 V341 L402 T405 L407L277-L318 HydrophobicContact CD1-CD2 3.9Å; L277-L318 HydrophobicContact CD2-CD2 4.41Å; L314-L318 HydrophobicContact CG-CD1 4.44Å; L314-L318 WeakPolarHBondContact O-CG 3.25Å; L314-L318 PolarHBondContact O-N 3.17Å; R315-L318 PolarHBondContact O-N 3.41Å; L318-G322 PolarHBondContact O-N 3.17Å; L318-V341 HydrophobicContact CD2-CG1 4.32Å; L318-V341 HydrophobicContact CD2-CG2 3.66Å; L318-L402 HydrophobicContact CD1-CD1 4.37Å; L318-L402 HydrophobicContact CD2-CD1 3.84Å; L318-T405 HydrophobicContact CD1-CG2 3.5Å; L318-L407 HydrophobicContact CB-CD1 4.23Å; L318-L407 HydrophobicContact CB-CD2 4.34Å
319V94.8Very high93.4Very high28 Ų2819.7 Ų19.717%0.1711%0.107CC..Hα-helixtrans-64.9-45.5176171.80000110.1R315 G322 R323 L407 D411 L412R315-V319 HydrophobicContact CG-CG2 4.37Å; R315-V319 WeakPolarHBondContact O-CG2 3.44Å; R315-V319 PolarHBondContact O-N 3.37Å; V319-G322 PolarHBondContact O-N 2.87Å; V319-R323 HydrophobicContact CG1-CG 4.39Å; V319-R323 WeakPolarHBondContact O-CB 3.3Å; V319-R323 WeakPolarHBondContact O-CG 3.41Å; V319-R323 PolarHBondContact O-N 3.48Å; V319-L407 HydrophobicContact CG2-CD1 3.78Å; V319-D411 WeakPolarHBondContact CG1-O 3.37Å; V319-D411 HydrophobicContact CG2-CB 4.14Å; V319-L412 HydrophobicContact CG1-CD2 4.38Å
320S96.1Very high93.6Very high0 Ų024.8 Ų24.80%013%0.134CC..Hα-helixtrans-56.7-54.2175.5-179.70000111.2R192 Y311 D316 V317 G322 R324R192-S320 PolarHBondContact NH1-OG 2.89Å; Y311-S320 PolarHBondContact OH-OG 3.44Å; D316-S320 WeakPolarHBondContact O-CB 3.38Å; D316-S320 PolarHBondContact O-N 3Å; V317-S320 PolarHBondContact O-N 2.92Å; S320-G322 PolarHBondContact O-N 3.4Å; S320-R324 WeakPolarHBondContact O-CG 3.37Å; S320-R324 PolarHBondContact O-N 3.5Å; S320-R324 VanDerWaalsContact O-N 3.16Å
321F97.9Very high94Very high0 Ų025.1 Ų25.10%013%0.132CC..Hα-helixtrans-59.3-48.6178.7168.9-107.4000112.1L277 L301 V317 R323 R324 V325 V337L277-F321 VanDerWaalsContact C-CE2 3.48Å; L277-F321 HydrophobicContact CB-CD1 4.06Å; L277-F321 HydrophobicContact CB-CD2 3.72Å; L277-F321 HydrophobicContact CB-CE1 4.17Å; L277-F321 HydrophobicContact CB-CE2 3.86Å; L277-F321 HydrophobicContact CB-CG 3.82Å; L277-F321 HydrophobicContact CB-CZ 4.08Å; L277-F321 HydrophobicContact CD1-CB 4.19Å; L277-F321 HydrophobicContact CD1-CD1 4.27Å; L277-F321 HydrophobicContact CD1-CG 4.19Å; L277-F321 HydrophobicContact CD2-CD1 4.18Å; L277-F321 HydrophobicContact CD2-CE1 4.16Å; L277-F321 HydrophobicContact CG-CD1 4.41Å; L277-F321 HydrophobicContact CG-CG 4.47Å; L277-F321 WeakPolarHBondContact O-CE2 3.35Å; L301-F321 HydrophobicContact CB-CD2 4.49Å; L301-F321 HydrophobicContact CB-CE2 4.42Å; V317-F321 WeakPolarHBondContact O-CB 3.22Å; V317-F321 PolarHBondContact O-N 3.16Å; F321-R323 PolarHBondContact O-N 3.18Å; F321-R324 PolarHBondContact O-N 3.3Å; F321-V325 HydrophobicContact CD2-CG2 4.08Å; F321-V325 HydrophobicContact CE1-CG2 4.16Å; F321-V325 HydrophobicContact CE2-CG2 3.57Å; F321-V325 HydrophobicContact CZ-CG2 3.63Å; F321-V325 WeakPolarHBondContact O-CG2 3.46Å; F321-V325 PolarHBondContact O-N 2.85Å; F321-V337 HydrophobicContact CD1-CG1 4.02Å; F321-V337 HydrophobicContact CE1-CB 4.47Å; F321-V337 HydrophobicContact CE1-CG1 3.9Å
322G97.1Very high94.4Very high0 Ų026.2 Ų26.20%014%0.136CC..Hα-helixtrans-60.6-45.6-178.700000113L318 V319 S320 R324 V325 L326L318-G322 PolarHBondContact O-N 3.17Å; V319-G322 PolarHBondContact O-N 2.87Å; S320-G322 PolarHBondContact O-N 3.4Å; G322-R324 VanDerWaalsContact C-N 3.33Å; G322-R324 PolarHBondContact O-N 3.34Å; G322-V325 PolarHBondContact O-N 3.38Å; G322-L326 WeakPolarHBondContact O-CG 3.37Å; G322-L326 PolarHBondContact O-N 3.03Å
323R97.3Very high95Very high10 Ų1023.8 Ų23.84%0.03812%0.116CC..Hα-helixtrans-56.9-48.4174.4-76.1177.66087.61.7110.9L193 E196 V319 F321 V325 L326 C327 L412 E413 L414L193-R323 PolarHBondContact O-NH2 2.98Å; E196-R323 IonicContact OE2-CZ 2.95Å; E196-R323 IonicContact OE2-NE 3.58Å; E196-R323 PolarHBondContact OE2-NE 3.01Å; E196-R323 IonicContact OE2-NH2 3.3Å; V319-R323 HydrophobicContact CG1-CG 4.39Å; V319-R323 WeakPolarHBondContact O-CB 3.3Å; V319-R323 WeakPolarHBondContact O-CG 3.41Å; V319-R323 PolarHBondContact O-N 3.48Å; F321-R323 PolarHBondContact O-N 3.18Å; R323-V325 PolarHBondContact O-N 3.45Å; R323-L326 CarbonylContact O-C 3.6Å; R323-L326 PolarHBondContact O-N 2.9Å; R323-C327 PolarHBondContact O-N 3.47Å; R323-C327 PolarHBondContact O-SG 2.99Å; R323-L412 WeakPolarHBondContact CD-O 3.37Å; R323-L412 HydrophobicContact CG-CB 4.03Å; R323-L412 HydrophobicContact CG-CD2 4.1Å; R323-L412 WeakPolarHBondContact CG-O 3.32Å; R323-L412 PolarHBondContact NH1-O 3.07Å; R323-E413 PolarHBondContact NH1-O 3.47Å; R323-L414 HydrophobicContact CG-CD1 4.33Å
324R97.3Very high95.5Very high0 Ų022.9 Ų22.90%011%0.106CC..Hα-helixtrans-65.1-36.9-176.2-64.8179.177.572.510.2113D176 E196 K300 L301 C306 W307 S320 F321 G322 L326 C327 Y328 P329D176-R324 IonicContact OD2-NH2 2.7Å; E196-R324 HydrophobicContact CG-CG 4.26Å; E196-R324 WeakPolarHBondContact OE1-CD 3.23Å; E196-R324 WeakPolarHBondContact OE1-CG 3.49Å; E196-R324 IonicContact OE1-CZ 3.37Å; E196-R324 IonicContact OE1-NH1 2.89Å; E196-R324 PolarHBondContact OE1-NH1 2.94Å; K300-R324 PolarHBondContact O-NE 2.9Å; K300-R324 PolarHBondContact O-NH2 3.04Å; L301-R324 HydrophobicContact CD2-CB 4.12Å; C306-R324 PolarHBondContact SG-NH2 3.39Å; W307-R324 VanDerWaalsContact CD1-NH1 3.31Å; S320-R324 WeakPolarHBondContact O-CG 3.37Å; S320-R324 PolarHBondContact O-N 3.5Å; S320-R324 VanDerWaalsContact O-N 3.16Å; F321-R324 PolarHBondContact O-N 3.3Å; G322-R324 VanDerWaalsContact C-N 3.33Å; G322-R324 PolarHBondContact O-N 3.34Å; R324-L326 VanDerWaalsContact C-N 3.25Å; R324-L326 PolarHBondContact O-N 3.28Å; R324-C327 PolarHBondContact O-N 3.19Å; R324-Y328 HydrophobicContact CB-CD2 3.93Å; R324-Y328 HydrophobicContact CB-CE2 4.17Å; R324-Y328 HydrophobicContact CG-CD2 4.27Å; R324-Y328 HydrophobicContact CG-CE2 4Å; R324-Y328 WeakPolarHBondContact O-CD2 3.48Å; R324-Y328 PolarHBondContact O-N 3.15Å; R324-P329 WeakPolarHBondContact O-CD 3.44Å
325V97.9Very high95.8Very high0 Ų023.3 Ų23.30%011%0.113CC..Hα-helixtrans-62.2-33.9173170.10000111.8Y281 L301 F321 G322 R323 P329 V337Y281-V325 HydrophobicContact CD2-CG1 3.93Å; Y281-V325 HydrophobicContact CD2-CG2 3.95Å; Y281-V325 HydrophobicContact CE2-CB 4.49Å; Y281-V325 HydrophobicContact CE2-CG1 3.49Å; Y281-V325 VanDerWaalsContact CE2-CG1 3.49Å; Y281-V325 HydrophobicContact CE2-CG2 4.23Å; Y281-V325 HydrophobicContact CG-CG2 4.41Å; L301-V325 HydrophobicContact CD1-CG2 4.06Å; L301-V325 HydrophobicContact CD2-CB 4.44Å; L301-V325 HydrophobicContact CD2-CG2 3.88Å; F321-V325 HydrophobicContact CD2-CG2 4.08Å; F321-V325 HydrophobicContact CE1-CG2 4.16Å; F321-V325 HydrophobicContact CE2-CG2 3.57Å; F321-V325 HydrophobicContact CZ-CG2 3.63Å; F321-V325 WeakPolarHBondContact O-CG2 3.46Å; F321-V325 PolarHBondContact O-N 2.85Å; G322-V325 PolarHBondContact O-N 3.38Å; R323-V325 PolarHBondContact O-N 3.45Å; V325-P329 WeakPolarHBondContact O-CD 3.43Å; V325-P329 WeakPolarHBondContact O-CG 3.36Å; V325-V337 HydrophobicContact CB-CG2 3.71Å; V325-V337 HydrophobicContact CG1-CG2 3.55Å; V325-V337 HydrophobicContact CG2-CG2 4.23Å
326L97.4Very high96.2Very high0 Ų019.6 Ų19.60%010%0.099CC..Hα-helixtrans-85.6-10.8178.2-58.3-176.1000113.6F200 Y205 G322 R323 R324 R332 L412 L414 L416F200-L326 HydrophobicContact CE2-CB 4.46Å; Y205-L326 HydrophobicContact CD2-CD2 4.08Å; Y205-L326 HydrophobicContact CE2-CD1 4.18Å; Y205-L326 HydrophobicContact CE2-CD2 3.89Å; G322-L326 WeakPolarHBondContact O-CG 3.37Å; G322-L326 PolarHBondContact O-N 3.03Å; R323-L326 CarbonylContact O-C 3.6Å; R323-L326 PolarHBondContact O-N 2.9Å; R324-L326 VanDerWaalsContact C-N 3.25Å; R324-L326 PolarHBondContact O-N 3.28Å; L326-R332 WeakPolarHBondContact O-CD 3.32Å; L326-L412 HydrophobicContact CD1-CD1 3.54Å; L326-L414 HydrophobicContact CB-CD1 4.3Å; L326-L414 HydrophobicContact CD1-CD1 4.37Å; L326-L416 HydrophobicContact CD1-CD1 3.42Å; L326-L416 VanDerWaalsContact CD1-CD1 3.42Å; L326-L416 HydrophobicContact CD1-CD2 4.28Å; L326-L416 HydrophobicContact CD1-CG 4.49Å
327C97Very high96.4Very high1 Ų117.3 Ų17.31%0.0079%0.087CC..Hα-helixtrans-100.3-40.9-178.6-66.80000113.7E196 A199 R323 R324 R332E196-C327 PolarHBondContact O-SG 3.1Å; A199-C327 HydrophobicContact CB-CB 4.27Å; R323-C327 PolarHBondContact O-N 3.47Å; R323-C327 PolarHBondContact O-SG 2.99Å; R324-C327 PolarHBondContact O-N 3.19Å; C327-R332 PolarHBondContact O-NH1 3.4Å; C327-R332 PolarHBondContact O-NH2 3.1Å; C327-R332 VanDerWaalsContact O-NH2 3.17Å
328Y96.6Very high96.5Very high38 Ų3819.5 Ų19.515%0.14911%0.105CC..SBendtrans-109-56.2-161.1-61.8-65.7000116.4E196 A199 R324 R332E196-Y328 HydrophobicContact CG-CE2 3.99Å; E196-Y328 WeakPolarHBondContact CG-OH 3.46Å; A199-Y328 HydrophobicContact CB-CD1 4.22Å; A199-Y328 HydrophobicContact CB-CE1 3.52Å; R324-Y328 HydrophobicContact CB-CD2 3.93Å; R324-Y328 HydrophobicContact CB-CE2 4.17Å; R324-Y328 HydrophobicContact CG-CD2 4.27Å; R324-Y328 HydrophobicContact CG-CE2 4Å; R324-Y328 WeakPolarHBondContact O-CD2 3.48Å; R324-Y328 PolarHBondContact O-N 3.15Å; Y328-R332 PolarHBondContact O-NH2 3.19Å
329P96.5Very high96.5Very high4 Ų421.7 Ų21.73%0.02612%0.116CC..SBendtrans-70.1175.4-166.833.3-37.6000111.9Y281 L301 R324 V325 Y331 R332Y281-P329 HydrophobicContact CE1-CB 3.92Å; Y281-P329 HydrophobicContact CE1-CG 4.14Å; Y281-P329 VanDerWaalsContact OH-CB 3.32Å; Y281-P329 WeakPolarHBondContact OH-CB 3.44Å; Y281-P329 VanDerWaalsContact OH-CG 3.23Å; Y281-P329 WeakPolarHBondContact OH-CG 3.21Å; L301-P329 HydrophobicContact CD2-CG 4.12Å; R324-P329 WeakPolarHBondContact O-CD 3.44Å; V325-P329 WeakPolarHBondContact O-CD 3.43Å; V325-P329 WeakPolarHBondContact O-CG 3.36Å; P329-Y331 VanDerWaalsContact C-N 3.35Å; P329-R332 WeakPolarHBondContact O-CG 3.45Å; P329-R332 PolarHBondContact O-NE 3.16Å
330L95.4Very high96.6Very high115 Ų11520.3 Ų20.360%0.60211%0.108SC*.SBendtrans-61.6-41.1177-178.761.5000112.2
331Y96.3Very high96.6Very high41 Ų4121.1 Ų21.116%0.16111%0.113CC..  trans-110.9104.7-175.7-56.5-68.5000111.8E214 I215 L218 Y281 P329 H333E214-Y331 HydrophobicContact CB-CE1 4.01Å; I215-Y331 HydrophobicContact CD1-CD1 3.82Å; I215-Y331 HydrophobicContact CD1-CG 4.13Å; L218-Y331 HydrophobicContact CD1-CD1 4.03Å; L218-Y331 HydrophobicContact CD1-CD2 3.42Å; L218-Y331 VanDerWaalsContact CD1-CD2 3.42Å; L218-Y331 HydrophobicContact CD1-CE1 4.24Å; L218-Y331 HydrophobicContact CD1-CE2 3.66Å; L218-Y331 HydrophobicContact CD1-CG 3.6Å; Y281-Y331 PolarHBondContact OH-O 3.36Å; P329-Y331 VanDerWaalsContact C-N 3.35Å; Y331-H333 PolarHBondContact O-N 3.47Å
332R96.2Very high96.4Very high32 Ų3224.3 Ų24.312%0.12113%0.134CC..  trans-10768.3-168.8-59.5174.5-177.4-1690.3111.3H204 Y205 D208 L326 C327 Y328 P329H204-R332 PolarHBondContact CE1-NE 3.1Å; H204-R332 PolarHBondContact ND1-NE 2.57Å; H204-R332 VanDerWaalsContact ND1-NE 3.16Å; H204-R332 PolarHBondContact ND1-NH1 3.37Å; H204-R332 PolarHBondContact ND1-NH2 2.89Å; Y205-R332 WeakPolarHBondContact CD2-O 3.31Å; D208-R332 WeakPolarHBondContact OD2-CA 3.48Å; D208-R332 WeakPolarHBondContact OD2-CB 3.42Å; D208-R332 PolarHBondContact OD2-N 3.04Å; L326-R332 WeakPolarHBondContact O-CD 3.32Å; C327-R332 PolarHBondContact O-NH1 3.4Å; C327-R332 PolarHBondContact O-NH2 3.1Å; C327-R332 VanDerWaalsContact O-NH2 3.17Å; Y328-R332 PolarHBondContact O-NH2 3.19Å; P329-R332 WeakPolarHBondContact O-CG 3.45Å; P329-R332 PolarHBondContact O-NE 3.16Å
333H96.1Very high96.3Very high29 Ų2924.3 Ų24.313%0.13414%0.135CC..  trans-125134.1-176.3-166.4-97.1000113.3I215 Y331 A335 L336I215-H333 HydrophobicContact CD1-CB 3.97Å; I215-H333 HydrophobicContact CG1-CB 4.25Å; I215-H333 HydrophobicContact CG2-CB 3.83Å; Y331-H333 PolarHBondContact O-N 3.47Å; H333-A335 VanDerWaalsContact C-N 3.26Å; H333-A335 VanDerWaalsContact CE1-CB 3.47Å; H333-A335 WeakPolarHBondContact CE1-CB 3.49Å; H333-A335 VanDerWaalsContact ND1-CB 3.25Å; H333-A335 WeakPolarHBondContact ND1-CB 3.24Å; H333-A335 PolarHBondContact ND1-N 2.95Å; H333-A335 VanDerWaalsContact ND1-N 3.17Å; H333-A335 PolarHBondContact O-N 3.17Å; H333-L336 HydrophobicContact CB-CD1 4.36Å; H333-L336 HydrophobicContact CB-CG 4.38Å; H333-L336 WeakPolarHBondContact O-CB 3.31Å; H333-L336 PolarHBondContact O-N 3.31Å
334F96.1Very high96.3Very high31 Ų3123.9 Ų23.914%0.13613%0.133CC..Hα-helixtrans-63.3-29.9-176-171.9-97000113L336 V337 A338 L407 K409 L412F334-L336 VanDerWaalsContact C-N 3.27Å; F334-L336 PolarHBondContact O-N 3.4Å; F334-V337 WeakPolarHBondContact O-CB 3.37Å; F334-V337 PolarHBondContact O-N 3.41Å; F334-V337 VanDerWaalsContact O-N 3.16Å; F334-A338 PolarHBondContact O-N 2.66Å; F334-A338 VanDerWaalsContact O-N 3.13Å; F334-L407 HydrophobicContact CE2-CD2 4.47Å; F334-L407 HydrophobicContact CZ-CG 4.47Å; F334-K409 HydrophobicContact CD1-CG 4Å; F334-K409 HydrophobicContact CD2-CG 3.91Å; F334-K409 HydrophobicContact CE1-CG 4.01Å; F334-K409 HydrophobicContact CE2-CG 3.91Å; F334-K409 HydrophobicContact CG-CG 3.95Å; F334-K409 HydrophobicContact CZ-CG 3.96Å; F334-L412 HydrophobicContact CD2-CD1 3.93Å; F334-L412 HydrophobicContact CE2-CD1 3.82Å
335A95.8Very high96.2Very high33 Ų3323.9 Ų23.927%0.27313%0.133SC..Hα-helixtrans-63.3-33.5175.700000112.4V219 H333 V337 A338 L339V219-A335 HydrophobicContact CG2-CB 4.41Å; H333-A335 VanDerWaalsContact C-N 3.26Å; H333-A335 VanDerWaalsContact CE1-CB 3.47Å; H333-A335 WeakPolarHBondContact CE1-CB 3.49Å; H333-A335 VanDerWaalsContact ND1-CB 3.25Å; H333-A335 WeakPolarHBondContact ND1-CB 3.24Å; H333-A335 PolarHBondContact ND1-N 2.95Å; H333-A335 VanDerWaalsContact ND1-N 3.17Å; H333-A335 PolarHBondContact O-N 3.17Å; A335-V337 VanDerWaalsContact C-N 3.3Å; A335-V337 PolarHBondContact O-N 3.07Å; A335-A338 PolarHBondContact O-N 3.3Å; A335-L339 WeakPolarHBondContact O-CB 3.48Å; A335-L339 VanDerWaalsContact O-CG 3.29Å; A335-L339 WeakPolarHBondContact O-CG 3.37Å; A335-L339 PolarHBondContact O-N 3.36Å
336L96.2Very high96Very high2 Ų227.7 Ų27.71%0.0115%0.15CC..Hα-helixtrans-67.4-34176.1-63.4177000111.4I215 L218 V219 Y281 H333 F334 S340I215-L336 HydrophobicContact CD1-CD1 4.19Å; L218-L336 HydrophobicContact CB-CD2 4.07Å; L218-L336 HydrophobicContact CD1-CD1 4.43Å; V219-L336 HydrophobicContact CG2-CD2 4.16Å; Y281-L336 HydrophobicContact CD2-CB 4.18Å; Y281-L336 HydrophobicContact CE2-CB 3.94Å; Y281-L336 HydrophobicContact CE2-CD1 3.99Å; H333-L336 HydrophobicContact CB-CD1 4.36Å; H333-L336 HydrophobicContact CB-CG 4.38Å; H333-L336 WeakPolarHBondContact O-CB 3.31Å; H333-L336 PolarHBondContact O-N 3.31Å; F334-L336 VanDerWaalsContact C-N 3.27Å; F334-L336 PolarHBondContact O-N 3.4Å; L336-S340 VanDerWaalsContact O-CB 3.3Å; L336-S340 WeakPolarHBondContact O-CB 3.26Å; L336-S340 PolarHBondContact O-N 2.82Å; L336-S340 PolarHBondContact O-OG 3.06Å
337V96.8Very high95.8Very high0 Ų027.7 Ų27.70%015%0.15CC..Hα-helixtrans-61-53.2171.8-177.60000110F321 V325 F334 A335 L339 S340 V341 L407F321-V337 HydrophobicContact CD1-CG1 4.02Å; F321-V337 HydrophobicContact CE1-CB 4.47Å; F321-V337 HydrophobicContact CE1-CG1 3.9Å; V325-V337 HydrophobicContact CB-CG2 3.71Å; V325-V337 HydrophobicContact CG1-CG2 3.55Å; V325-V337 HydrophobicContact CG2-CG2 4.23Å; F334-V337 WeakPolarHBondContact O-CB 3.37Å; F334-V337 PolarHBondContact O-N 3.41Å; F334-V337 VanDerWaalsContact O-N 3.16Å; A335-V337 VanDerWaalsContact C-N 3.3Å; A335-V337 PolarHBondContact O-N 3.07Å; V337-L339 VanDerWaalsContact C-N 3.35Å; V337-L339 PolarHBondContact O-N 3.18Å; V337-S340 PolarHBondContact O-N 3.08Å; V337-V341 WeakPolarHBondContact O-CG2 3.4Å; V337-V341 PolarHBondContact O-N 3.16Å; V337-L407 HydrophobicContact CG1-CD2 3.76Å
338A95.6Very high95.6Very high46 Ų4627.8 Ų27.838%0.3815%0.15SC..Hα-helixtrans-60.4-43-178.900000112.3F334 A335 V341 C342F334-A338 PolarHBondContact O-N 2.66Å; F334-A338 VanDerWaalsContact O-N 3.13Å; A335-A338 PolarHBondContact O-N 3.3Å; A338-V341 WeakPolarHBondContact O-CB 3.44Å; A338-V341 PolarHBondContact O-N 3.22Å; A338-C342 PolarHBondContact O-N 3.05Å; A338-C342 PolarHBondContact O-SG 3.47Å; A338-C342 VanDerWaalsContact O-SG 3.41Å
339L95.8Very high95.4Very high45 Ų4528.6 Ų28.624%0.23616%0.155CC..Hα-helixtrans-65.2-40.7177.2-72.1172.1000112.5V219 A335 V337 V341 C342 D343V219-L339 HydrophobicContact CB-CD1 4.04Å; V219-L339 HydrophobicContact CG1-CD1 3.94Å; V219-L339 HydrophobicContact CG2-CD1 3.79Å; A335-L339 WeakPolarHBondContact O-CB 3.48Å; A335-L339 VanDerWaalsContact O-CG 3.29Å; A335-L339 WeakPolarHBondContact O-CG 3.37Å; A335-L339 PolarHBondContact O-N 3.36Å; V337-L339 VanDerWaalsContact C-N 3.35Å; V337-L339 PolarHBondContact O-N 3.18Å; L339-V341 VanDerWaalsContact C-N 3.29Å; L339-V341 PolarHBondContact O-N 3.48Å; L339-C342 WeakPolarHBondContact O-CB 3.5Å; L339-C342 PolarHBondContact O-N 3.31Å; L339-D343 WeakPolarHBondContact O-CB 3.41Å; L339-D343 PolarHBondContact O-N 3.21Å
340S96.6Very high95Very high0 Ų029 Ų290%016%0.158CC..Hα-helixtrans-62.9-37.8177.2-58.70000111.4Y281 L336 V337 D343 T344Y281-S340 WeakPolarHBondContact CA-OG 3.43Å; Y281-S340 PolarHBondContact N-OG 3.03Å; L336-S340 VanDerWaalsContact O-CB 3.3Å; L336-S340 WeakPolarHBondContact O-CB 3.26Å; L336-S340 PolarHBondContact O-N 2.82Å; L336-S340 PolarHBondContact O-OG 3.06Å; V337-S340 PolarHBondContact O-N 3.08Å; S340-D343 PolarHBondContact O-N 3.16Å; S340-T344 WeakPolarHBondContact O-CB 3.49Å; S340-T344 PolarHBondContact O-N 3.13Å; S340-T344 PolarHBondContact O-OG1 2.69Å
341V96.1Very high94.7Very high16 Ų1624.1 Ų24.110%0.09714%0.136CC..Hα-helixtrans-62.9-46.5172.6173.20000111.2L277 L318 V337 A338 L339 D343 T344 A345 L402L277-V341 HydrophobicContact CD2-CB 4.31Å; L277-V341 HydrophobicContact CD2-CG2 3.74Å; L318-V341 HydrophobicContact CD2-CG1 4.32Å; L318-V341 HydrophobicContact CD2-CG2 3.66Å; V337-V341 WeakPolarHBondContact O-CG2 3.4Å; V337-V341 PolarHBondContact O-N 3.16Å; A338-V341 WeakPolarHBondContact O-CB 3.44Å; A338-V341 PolarHBondContact O-N 3.22Å; L339-V341 VanDerWaalsContact C-N 3.29Å; L339-V341 PolarHBondContact O-N 3.48Å; V341-D343 VanDerWaalsContact C-N 3.35Å; V341-D343 PolarHBondContact O-N 3.44Å; V341-T344 PolarHBondContact O-N 3.31Å; V341-A345 PolarHBondContact O-N 3.28Å; V341-L402 HydrophobicContact CG1-CD1 3.84Å; V341-L402 HydrophobicContact CG1-CG 3.87Å
342C94.8Very high94.5Very high67 Ų6725.1 Ų25.145%0.45314%0.141SC..Hα-helixtrans-62.1-40.8176.3-69.90000112.7A338 L339 A345 K346A338-C342 PolarHBondContact O-N 3.05Å; A338-C342 PolarHBondContact O-SG 3.47Å; A338-C342 VanDerWaalsContact O-SG 3.41Å; L339-C342 WeakPolarHBondContact O-CB 3.5Å; L339-C342 PolarHBondContact O-N 3.31Å; C342-A345 WeakPolarHBondContact O-CB 3.4Å; C342-A345 PolarHBondContact O-N 3.41Å; C342-K346 WeakPolarHBondContact O-CG 3.36Å; C342-K346 PolarHBondContact O-N 3.24Å; C342-K346 VanDerWaalsContact O-N 3.07Å
343D95.7Very high94.2Very high1 Ų124 Ų241%0.00514%0.139CC..Hα-helixtrans-68.4-42.4178.6-77.3-25.4000112.2W225 R284 L339 S340 V341 A345 K346 I347W225-D343 HydrophobicContact CZ2-CB 3.94Å; W225-D343 PolarHBondContact NE1-OD1 3.47Å; R284-D343 IonicContact CZ-OD2 3.36Å; R284-D343 IonicContact NE-OD2 3.48Å; R284-D343 PolarHBondContact NE-OD2 3.41Å; R284-D343 IonicContact NH2-OD1 3.94Å; R284-D343 PolarHBondContact NH2-OD1 2.75Å; R284-D343 IonicContact NH2-OD2 2.83Å; R284-D343 PolarHBondContact NH2-OD2 3.5Å; L339-D343 WeakPolarHBondContact O-CB 3.41Å; L339-D343 PolarHBondContact O-N 3.21Å; S340-D343 PolarHBondContact O-N 3.16Å; V341-D343 VanDerWaalsContact C-N 3.35Å; V341-D343 PolarHBondContact O-N 3.44Å; D343-A345 PolarHBondContact O-N 2.91Å; D343-K346 CarbonylContact O-C 3.49Å; D343-K346 WeakPolarHBondContact O-CA 3.42Å; D343-K346 WeakPolarHBondContact O-CB 3.35Å; D343-K346 PolarHBondContact O-N 3.01Å; D343-K346 IonicContact OD1-NZ 2.98Å; D343-I347 WeakPolarHBondContact O-CG1 3.05Å; D343-I347 PolarHBondContact O-N 3.17Å
344T96.3Very high94.1Very high0 Ų022.7 Ų22.70%013%0.133CC..Hα-helixtrans-59.2-38.9174.3-58.80000110.7L273 L276 L277 S280 S340 V341 K346 I347 L348 L402L273-T344 HydrophobicContact CD1-CG2 3.44Å; L273-T344 VanDerWaalsContact CD1-CG2 3.44Å; L276-T344 HydrophobicContact CB-CG2 3.79Å; L276-T344 PolarHBondContact O-OG1 3.37Å; L277-T344 HydrophobicContact CD2-CG2 4.35Å; L277-T344 WeakPolarHBondContact CD2-OG1 3.34Å; L277-T344 HydrophobicContact CG-CG2 4.35Å; S280-T344 PolarHBondContact OG-OG1 2.83Å; S340-T344 WeakPolarHBondContact O-CB 3.49Å; S340-T344 PolarHBondContact O-N 3.13Å; S340-T344 PolarHBondContact O-OG1 2.69Å; V341-T344 PolarHBondContact O-N 3.31Å; T344-K346 PolarHBondContact O-N 2.81Å; T344-I347 PolarHBondContact O-N 3.06Å; T344-L348 HydrophobicContact CG2-CD1 4.42Å; T344-L348 VanDerWaalsContact O-CG 3.32Å; T344-L348 WeakPolarHBondContact O-CG 3.48Å; T344-L348 PolarHBondContact O-N 3Å; T344-L402 HydrophobicContact CG2-CD2 3.9Å
345A94.7Very high94Very high1 Ų121.2 Ų21.21%0.00813%0.126CC..Hα-helixtrans-62.5-42.3173.600000112.3V341 C342 D343 L348 Q349 L402 Q403V341-A345 PolarHBondContact O-N 3.28Å; C342-A345 WeakPolarHBondContact O-CB 3.4Å; C342-A345 PolarHBondContact O-N 3.41Å; D343-A345 PolarHBondContact O-N 2.91Å; A345-L348 PolarHBondContact O-N 3.41Å; A345-Q349 VanDerWaalsContact O-CG 3.31Å; A345-Q349 WeakPolarHBondContact O-CG 3.32Å; A345-Q349 PolarHBondContact O-N 2.7Å; A345-L402 HydrophobicContact CB-CB 4.45Å; A345-L402 HydrophobicContact CB-CD2 3.9Å; A345-L402 HydrophobicContact CB-CG 4.34Å; A345-Q403 HydrophobicContact CB-CG 3.7Å
346K93.7Very high94Very high80 Ų8020.1 Ų20.135%0.34812%0.116SC..Hα-helixtrans-66-39.3176.3-68.9171.8-173.41660112.4C342 D343 T344 L348 Q349 S350C342-K346 WeakPolarHBondContact O-CG 3.36Å; C342-K346 PolarHBondContact O-N 3.24Å; C342-K346 VanDerWaalsContact O-N 3.07Å; D343-K346 CarbonylContact O-C 3.49Å; D343-K346 WeakPolarHBondContact O-CA 3.42Å; D343-K346 WeakPolarHBondContact O-CB 3.35Å; D343-K346 PolarHBondContact O-N 3.01Å; D343-K346 IonicContact OD1-NZ 2.98Å; T344-K346 PolarHBondContact O-N 2.81Å; K346-L348 VanDerWaalsContact C-N 3.33Å; K346-L348 PolarHBondContact O-N 3.49Å; K346-Q349 PolarHBondContact O-N 3.05Å; K346-S350 WeakPolarHBondContact O-CB 3.12Å; K346-S350 PolarHBondContact O-N 3.43Å; K346-S350 PolarHBondContact O-OG 3.47Å
347I94.3Very high94Very high0 Ų022 Ų220%012%0.124CC..Hα-helixtrans-59.3-47175.4-69.9167.4000109.7W225 D343 T344 S350 V355W225-I347 HydrophobicContact CB-CG1 4.26Å; W225-I347 HydrophobicContact CD2-CD1 3.87Å; W225-I347 HydrophobicContact CD2-CG1 3.74Å; W225-I347 HydrophobicContact CE3-CD1 4.04Å; W225-I347 HydrophobicContact CE3-CG1 4.19Å; W225-I347 HydrophobicContact CG-CD1 4.41Å; W225-I347 HydrophobicContact CG-CG1 3.76Å; W225-I347 HydrophobicContact CH2-CD1 4.12Å; W225-I347 HydrophobicContact CZ2-CD1 3.99Å; W225-I347 HydrophobicContact CZ3-CD1 4.18Å; D343-I347 WeakPolarHBondContact O-CG1 3.05Å; D343-I347 PolarHBondContact O-N 3.17Å; T344-I347 PolarHBondContact O-N 3.06Å; I347-S350 PolarHBondContact O-N 3.24Å; I347-V355 HydrophobicContact CG2-CG2 3.95Å
348L92.4Very high93.9Very high2 Ų222 Ų221%0.0112%0.124CC..Hα-helixtrans-64.8-39176.6-66.7169.4000112L273 L276 T344 A345 K346 S350 G351 V355 M395 L398 A399 L402L273-L348 HydrophobicContact CD1-CD1 4.23Å; L276-L348 HydrophobicContact CD1-CD2 4.12Å; T344-L348 HydrophobicContact CG2-CD1 4.42Å; T344-L348 VanDerWaalsContact O-CG 3.32Å; T344-L348 WeakPolarHBondContact O-CG 3.48Å; T344-L348 PolarHBondContact O-N 3Å; A345-L348 PolarHBondContact O-N 3.41Å; K346-L348 VanDerWaalsContact C-N 3.33Å; K346-L348 PolarHBondContact O-N 3.49Å; L348-S350 VanDerWaalsContact C-N 3.3Å; L348-S350 PolarHBondContact O-N 2.86Å; L348-G351 PolarHBondContact O-N 2.86Å; L348-V355 HydrophobicContact CD2-CG2 4.08Å; L348-M395 HydrophobicContact CB-CG 3.98Å; L348-M395 HydrophobicContact CD2-CG 3.81Å; L348-M395 HydrophobicContact CD2-SD 4.49Å; L348-M395 VanDerWaalsContact O-CG 3.27Å; L348-M395 WeakPolarHBondContact O-CG 3.15Å; L348-M395 VanDerWaalsContact O-SD 3.32Å; L348-L398 HydrophobicContact CD1-CD2 4.2Å; L348-L398 HydrophobicContact CD1-CG 4.14Å; L348-A399 HydrophobicContact CB-CB 3.68Å; L348-A399 HydrophobicContact CD1-CB 4.4Å; L348-L402 HydrophobicContact CD1-CD2 4.37Å
349Q91.4Very high94Very high55 Ų5519.9 Ų19.926%0.25711%0.106SC..Hα-helixtrans-66.2-31.4176.3-76.2168.87.600113.6A345 K346 G351 A399A345-Q349 VanDerWaalsContact O-CG 3.31Å; A345-Q349 WeakPolarHBondContact O-CG 3.32Å; A345-Q349 PolarHBondContact O-N 2.7Å; K346-Q349 PolarHBondContact O-N 3.05Å; Q349-G351 PolarHBondContact O-N 3.25Å; Q349-A399 HydrophobicContact CG-CB 3.72Å
350S89.4Confident94Very high12 Ų1218.1 Ų18.18%0.08410%0.097CC..THydrogen-bonded Turntrans-71.8-11.5177.9-58.80000112.8K346 I347 L348K346-S350 WeakPolarHBondContact O-CB 3.12Å; K346-S350 PolarHBondContact O-N 3.43Å; K346-S350 PolarHBondContact O-OG 3.47Å; I347-S350 PolarHBondContact O-N 3.24Å; L348-S350 VanDerWaalsContact C-N 3.3Å; L348-S350 PolarHBondContact O-N 2.86Å
351G88.9Confident94Very high13 Ų1320 Ų2013%0.13411%0.107CC..  trans94.5-179.6170.600000114.8L348 Q349 A353 C354 V355 M395L348-G351 PolarHBondContact O-N 2.86Å; Q349-G351 PolarHBondContact O-N 3.25Å; G351-A353 VanDerWaalsContact C-N 3.27Å; G351-A353 PolarHBondContact O-N 2.94Å; G351-C354 WeakPolarHBondContact O-CB 3.35Å; G351-C354 PolarHBondContact O-N 3.33Å; G351-C354 VanDerWaalsContact O-N 3.07Å; G351-V355 PolarHBondContact O-N 3.49Å; G351-M395 VanDerWaalsContact C-SD 3.54Å
352K91Very high94Very high62 Ų6219.2 Ų19.227%0.2710%0.102SC..Hα-helixtrans-59.5-32.9-169.673.7-170.8-167.7-128.70114.1E237 V355 L356 M395E237-K352 VanDerWaalsContact CD-NZ 3.3Å; E237-K352 WeakPolarHBondContact OE1-CE 3.22Å; E237-K352 IonicContact OE1-NZ 2.65Å; E237-K352 PolarHBondContact OE1-NZ 3.24Å; E237-K352 IonicContact OE2-NZ 2.69Å; E237-K352 PolarHBondContact OE2-NZ 3.01Å; K352-V355 PolarHBondContact O-N 3.36Å; K352-L356 VanDerWaalsContact O-CB 3.27Å; K352-L356 WeakPolarHBondContact O-CB 3.33Å; K352-L356 PolarHBondContact O-N 3.32Å; K352-M395 HydrophobicContact CB-CE 4.21Å
353A91.6Very high94.1Very high10 Ų1016.5 Ų16.58%0.0838%0.083CC..Hα-helixtrans-66.6-39.2178.500000111.7V240 F242 G351 L356 K357V240-A353 HydrophobicContact CB-CB 4.07Å; V240-A353 HydrophobicContact CG1-CB 4.45Å; F242-A353 HydrophobicContact CZ-CB 4.34Å; G351-A353 VanDerWaalsContact C-N 3.27Å; G351-A353 PolarHBondContact O-N 2.94Å; A353-L356 PolarHBondContact O-N 3.48Å; A353-K357 WeakPolarHBondContact O-CB 3.48Å; A353-K357 PolarHBondContact O-N 3.13Å
354C92.9Very high94Very high0 Ų021.7 Ų21.70%011%0.105CC..Hα-helixtrans-66.5-45.7176.5-168.10000111.2L228 V240 G351 L356 K357 C358L228-C354 HydrophobicContact CD1-CB 4.37Å; V240-C354 HydrophobicContact CG2-CB 4.14Å; G351-C354 WeakPolarHBondContact O-CB 3.35Å; G351-C354 PolarHBondContact O-N 3.33Å; G351-C354 VanDerWaalsContact O-N 3.07Å; C354-L356 PolarHBondContact O-N 3.17Å; C354-K357 PolarHBondContact O-N 3.01Å; C354-C358 PolarHBondContact O-N 3.06Å; C354-C358 PolarHBondContact O-SG 3.4Å
355V95Very high93.9Very high0 Ų022 Ų220%011%0.107CC..Hα-helixtrans-60.5-45.9175.7178.20000110.9L272 L276 I347 L348 G351 K352 K357 C358 L359 I387 M395L272-V355 HydrophobicContact CD1-CG1 4.38Å; L272-V355 HydrophobicContact CD2-CG1 4.37Å; L276-V355 HydrophobicContact CD1-CG1 4.11Å; L276-V355 HydrophobicContact CD2-CG1 4.45Å; I347-V355 HydrophobicContact CG2-CG2 3.95Å; L348-V355 HydrophobicContact CD2-CG2 4.08Å; G351-V355 PolarHBondContact O-N 3.49Å; K352-V355 PolarHBondContact O-N 3.36Å; V355-K357 VanDerWaalsContact C-N 3.3Å; V355-K357 PolarHBondContact O-N 2.92Å; V355-C358 WeakPolarHBondContact O-CB 3.31Å; V355-C358 PolarHBondContact O-N 3.24Å; V355-L359 HydrophobicContact CG1-CD1 4.02Å; V355-L359 HydrophobicContact CG1-CG 4.43Å; V355-L359 WeakPolarHBondContact O-CG 3.43Å; V355-L359 PolarHBondContact O-N 2.86Å; V355-I387 HydrophobicContact CB-CG1 4.2Å; V355-I387 HydrophobicContact CG1-CD1 4.17Å; V355-I387 HydrophobicContact CG1-CG1 3.82Å; V355-M395 HydrophobicContact CB-CE 4.42Å; V355-M395 HydrophobicContact CG2-CE 3.87Å; V355-M395 HydrophobicContact CG2-SD 3.9Å
356L95.1Very high93.8Very high11 Ų1122 Ų226%0.05811%0.107CC..Hα-helixtrans-60.9-40177.7-178.360.1000111.8F242 L250 K352 A353 C354 L359 L360 C384 I387 Q388F242-L356 HydrophobicContact CE1-CD2 4.33Å; F242-L356 HydrophobicContact CE1-CG 4.29Å; F242-L356 HydrophobicContact CZ-CB 4.46Å; F242-L356 HydrophobicContact CZ-CD2 3.96Å; F242-L356 HydrophobicContact CZ-CG 4.32Å; L250-L356 HydrophobicContact CD1-CD2 4.42Å; L250-L356 HydrophobicContact CD2-CD1 4.19Å; L250-L356 HydrophobicContact CD2-CD2 4.07Å; L250-L356 HydrophobicContact CD2-CG 4.44Å; K352-L356 VanDerWaalsContact O-CB 3.27Å; K352-L356 WeakPolarHBondContact O-CB 3.33Å; K352-L356 PolarHBondContact O-N 3.32Å; A353-L356 PolarHBondContact O-N 3.48Å; C354-L356 PolarHBondContact O-N 3.17Å; L356-L359 PolarHBondContact O-N 3.03Å; L356-L360 HydrophobicContact CD1-CG 4.36Å; L356-L360 HydrophobicContact CG-CD1 4.18Å; L356-L360 HydrophobicContact CG-CG 4.46Å; L356-L360 WeakPolarHBondContact O-CB 3.47Å; L356-L360 VanDerWaalsContact O-CG 3.3Å; L356-L360 WeakPolarHBondContact O-CG 3.43Å; L356-L360 PolarHBondContact O-N 3.04Å; L356-C384 HydrophobicContact CD1-CB 3.94Å; L356-C384 WeakPolarHBondContact CD1-O 3.41Å; L356-I387 HydrophobicContact CB-CG2 4.12Å; L356-I387 HydrophobicContact CD1-CG2 3.98Å; L356-Q388 HydrophobicContact CD2-CG 3.89Å
357K95.1Very high93.6Very high42 Ų4222.1 Ų22.118%0.18311%0.105CC..Hα-helixtrans-61-44175.3-171.7169.7-178.174.80111.9W224 V240 S241 F242 E246 A353 C354 V355 L359 L360 D361W224-K357 HydrophobicContact CH2-CB 4.15Å; W224-K357 HydrophobicContact CH2-CD 3.66Å; W224-K357 HydrophobicContact CH2-CG 3.99Å; W224-K357 HydrophobicContact CZ2-CD 4.2Å; W224-K357 HydrophobicContact CZ2-CG 4.26Å; W224-K357 HydrophobicContact CZ3-CD 4Å; V240-K357 HydrophobicContact CG1-CB 4.04Å; V240-K357 HydrophobicContact CG1-CD 3.54Å; V240-K357 HydrophobicContact CG1-CG 4.41Å; S241-K357 PolarHBondContact O-NZ 2.63Å; F242-K357 HydrophobicContact CE1-CB 4.14Å; E246-K357 WeakPolarHBondContact OE1-CG 3.41Å; E246-K357 IonicContact OE1-NZ 2.69Å; E246-K357 PolarHBondContact OE1-NZ 3.03Å; E246-K357 IonicContact OE2-NZ 3.97Å; E246-K357 PolarHBondContact OE2-NZ 2.97Å; A353-K357 WeakPolarHBondContact O-CB 3.48Å; A353-K357 PolarHBondContact O-N 3.13Å; C354-K357 PolarHBondContact O-N 3.01Å; V355-K357 VanDerWaalsContact C-N 3.3Å; V355-K357 PolarHBondContact O-N 2.92Å; K357-L359 PolarHBondContact O-N 3.16Å; K357-L360 PolarHBondContact O-N 3.34Å; K357-D361 PolarHBondContact O-N 3.02Å; K357-D361 VanDerWaalsContact O-N 3.09Å
358C96.5Very high93.3Very high0 Ų028.4 Ų28.40%014%0.135CC..Hα-helixtrans-61.6-44.2175.1-57.90000111.5L276 Y279 C354 V355 L360 D361 I362L276-C358 HydrophobicContact CD2-CB 4.01Å; Y279-C358 HydrophobicContact CD1-CB 3.87Å; Y279-C358 HydrophobicContact CE1-CB 3.5Å; C354-C358 PolarHBondContact O-N 3.06Å; C354-C358 PolarHBondContact O-SG 3.4Å; V355-C358 WeakPolarHBondContact O-CB 3.31Å; V355-C358 PolarHBondContact O-N 3.24Å; C358-L360 PolarHBondContact O-N 3.41Å; C358-D361 PolarHBondContact O-N 2.96Å; C358-I362 WeakPolarHBondContact O-CG1 3.3Å; C358-I362 PolarHBondContact O-N 3.04Å
359L97.3Very high92.9Very high0 Ų030.4 Ų30.40%015%0.145CC..Hα-helixtrans-65.6-36.3178.5-68.8169.1000113L272 V355 L356 K357 D361 I362 H363 I380 C384 I387L272-L359 HydrophobicContact CD1-CD1 4.13Å; L272-L359 HydrophobicContact CD1-CD2 3.9Å; L272-L359 HydrophobicContact CD1-CG 4.42Å; V355-L359 HydrophobicContact CG1-CD1 4.02Å; V355-L359 HydrophobicContact CG1-CG 4.43Å; V355-L359 WeakPolarHBondContact O-CG 3.43Å; V355-L359 PolarHBondContact O-N 2.86Å; L356-L359 PolarHBondContact O-N 3.03Å; K357-L359 PolarHBondContact O-N 3.16Å; L359-D361 VanDerWaalsContact C-N 3.32Å; L359-I362 HydrophobicContact CD2-CD1 4.49Å; L359-H363 WeakPolarHBondContact O-CB 3.29Å; L359-H363 PolarHBondContact O-N 3.07Å; L359-I380 WeakPolarHBondContact O-CG2 3.46Å; L359-C384 VanDerWaalsContact CB-SG 3.58Å; L359-I387 HydrophobicContact CD1-CG2 4.17Å
360L95.9Very high91.6Very high9 Ų932.3 Ų32.35%0.04716%0.157CC..Hα-helixtrans-66.4-36.5175.1-74.6171.4000111.9F242 E246 Q249 L250 F253 L356 K357 C358 H363 K364F242-L360 HydrophobicContact CD1-CD1 4.01Å; F242-L360 HydrophobicContact CE1-CD1 3.96Å; E246-L360 HydrophobicContact CB-CD1 3.97Å; E246-L360 HydrophobicContact CG-CB 4.32Å; E246-L360 HydrophobicContact CG-CD1 4.07Å; Q249-L360 HydrophobicContact CB-CD2 4.49Å; Q249-L360 HydrophobicContact CG-CD2 4.25Å; L250-L360 HydrophobicContact CD1-CD1 4.1Å; L250-L360 HydrophobicContact CD2-CD1 4.19Å; L250-L360 HydrophobicContact CD2-CD2 4.09Å; L250-L360 HydrophobicContact CG-CD1 4.05Å; L250-L360 HydrophobicContact CG-CD2 4.26Å; F253-L360 HydrophobicContact CE2-CD2 3.82Å; F253-L360 HydrophobicContact CZ-CD2 4.16Å; L356-L360 HydrophobicContact CD1-CG 4.36Å; L356-L360 HydrophobicContact CG-CD1 4.18Å; L356-L360 HydrophobicContact CG-CG 4.46Å; L356-L360 WeakPolarHBondContact O-CB 3.47Å; L356-L360 VanDerWaalsContact O-CG 3.3Å; L356-L360 WeakPolarHBondContact O-CG 3.43Å; L356-L360 PolarHBondContact O-N 3.04Å; K357-L360 PolarHBondContact O-N 3.34Å; C358-L360 PolarHBondContact O-N 3.41Å; L360-H363 WeakPolarHBondContact O-CB 3.25Å; L360-H363 PolarHBondContact O-N 3.28Å; L360-K364 PolarHBondContact O-N 2.92Å
361D96Very high91.1Very high39 Ų3933.3 Ų33.321%0.20916%0.163CC..Hα-helixtrans-67.7-47.1176.2-161.427.4000111.1Y279 H290 K357 C358 L359 H363 K364 V365Y279-D361 HydrophobicContact CE2-CB 4.15Å; Y279-D361 PolarHBondContact OH-OD2 3.33Å; H290-D361 IonicContact CD2-OD1 3.03Å; H290-D361 IonicContact CD2-OD2 2.82Å; H290-D361 IonicContact CE1-OD2 3.83Å; H290-D361 VanDerWaalsContact NE2-CG 3.28Å; H290-D361 IonicContact NE2-OD1 3.04Å; H290-D361 PolarHBondContact NE2-OD1 3.33Å; H290-D361 IonicContact NE2-OD2 2.83Å; H290-D361 PolarHBondContact NE2-OD2 3.26Å; K357-D361 PolarHBondContact O-N 3.02Å; K357-D361 VanDerWaalsContact O-N 3.09Å; C358-D361 PolarHBondContact O-N 2.96Å; L359-D361 VanDerWaalsContact C-N 3.32Å; D361-H363 VanDerWaalsContact C-N 3.25Å; D361-H363 PolarHBondContact O-N 2.52Å; D361-K364 WeakPolarHBondContact O-CB 3.33Å; D361-K364 PolarHBondContact O-N 3.31Å; D361-V365 WeakPolarHBondContact O-CG2 3.36Å; D361-V365 PolarHBondContact O-N 3.49Å
362I96.6Very high90.8Very high0 Ų032.7 Ų32.70%016%0.157CC..Hα-helixtrans-55.2-44.2170.9-62.4166.3000110.7I275 Y279 I298 C358 L359 K364 V365 F366 I380I275-I362 HydrophobicContact CG2-CD1 3.7Å; Y279-I362 HydrophobicContact CD2-CD1 3.94Å; Y279-I362 HydrophobicContact CD2-CG1 3.39Å; Y279-I362 HydrophobicContact CE2-CG1 4.03Å; Y279-I362 HydrophobicContact CG-CD1 3.83Å; Y279-I362 HydrophobicContact CG-CG1 3.85Å; I298-I362 HydrophobicContact CD1-CG1 4.48Å; I298-I362 HydrophobicContact CG2-CG2 4.33Å; C358-I362 WeakPolarHBondContact O-CG1 3.3Å; C358-I362 PolarHBondContact O-N 3.04Å; L359-I362 HydrophobicContact CD2-CD1 4.49Å; I362-K364 VanDerWaalsContact C-N 3.29Å; I362-K364 PolarHBondContact O-N 3.23Å; I362-V365 PolarHBondContact O-N 3.14Å; I362-F366 HydrophobicContact CG2-CD2 3.84Å; I362-F366 HydrophobicContact CG2-CE2 3.54Å; I362-F366 HydrophobicContact CG2-CG 4.45Å; I362-F366 HydrophobicContact CG2-CZ 3.92Å; I362-F366 PolarHBondContact O-N 3.03Å; I362-I380 HydrophobicContact CG2-CD1 3.92Å; I362-I380 HydrophobicContact CG2-CG1 4.09Å; I362-I380 HydrophobicContact CG2-CG2 4.45Å
363H95.6Very high90.5Very high9 Ų931.5 Ų31.54%0.04215%0.151CC..Hα-helixtrans-60.8-40.2178.7-175.5-43.9000111.5Q249 F253 L359 L360 D361 R367 N376 I380 T381Q249-H363 PolarHBondContact NE2-CE1 3.11Å; Q249-H363 PolarHBondContact NE2-NE2 3.12Å; F253-H363 AromaticContact CE1-CD2 3.83Å; F253-H363 AromaticContact CE1-NE2 3.56Å; F253-H363 AromaticContact CZ-CD2 3.63Å; F253-H363 AromaticContact CZ-NE2 3.82Å; L359-H363 WeakPolarHBondContact O-CB 3.29Å; L359-H363 PolarHBondContact O-N 3.07Å; L360-H363 WeakPolarHBondContact O-CB 3.25Å; L360-H363 PolarHBondContact O-N 3.28Å; D361-H363 VanDerWaalsContact C-N 3.25Å; D361-H363 PolarHBondContact O-N 2.52Å; H363-R367 PolarHBondContact CE1-NH2 2.99Å; H363-R367 VanDerWaalsContact CE1-NH2 3.25Å; H363-R367 PolarHBondContact ND1-NH2 3.35Å; H363-R367 VanDerWaalsContact ND1-NH2 3.14Å; H363-R367 WeakPolarHBondContact O-CB 3.45Å; H363-R367 PolarHBondContact O-N 3.04Å; H363-N376 WeakPolarHBondContact CA-OD1 3.45Å; H363-N376 PolarHBondContact ND1-ND2 2.96Å; H363-N376 PolarHBondContact O-ND2 3.36Å; H363-I380 HydrophobicContact CB-CG2 3.84Å; H363-T381 PolarHBondContact NE2-OG1 3.34Å
364K94.4Very high90.2Very high111 Ų11131.2 Ų31.248%0.48315%0.148SC..Hα-helixtrans-63-52.3176.5-177.4-173.4171-169.80110.3L360 D361 I362 F366 R367 E368L360-K364 PolarHBondContact O-N 2.92Å; D361-K364 WeakPolarHBondContact O-CB 3.33Å; D361-K364 PolarHBondContact O-N 3.31Å; I362-K364 VanDerWaalsContact C-N 3.29Å; I362-K364 PolarHBondContact O-N 3.23Å; K364-F366 VanDerWaalsContact C-N 3.3Å; K364-F366 PolarHBondContact O-N 3.34Å; K364-R367 WeakPolarHBondContact O-CB 3.37Å; K364-R367 PolarHBondContact O-N 2.95Å; K364-E368 WeakPolarHBondContact CE-OE1 3.19Å; K364-E368 WeakPolarHBondContact CG-OE1 3.34Å; K364-E368 PolarHBondContact O-N 2.7Å; K364-E368 VanDerWaalsContact O-N 3.13Å
365V93.9Very high90.1Very high6 Ų631.2 Ų31.24%0.03615%0.148CC..Hα-helixtrans-53.3-46178.9172.90000111.5H290 P295 I298 D361 I362 E368H290-V365 HydrophobicContact CB-CG2 4.24Å; P295-V365 HydrophobicContact CB-CG1 4Å; P295-V365 HydrophobicContact CG-CG1 3.56Å; I298-V365 HydrophobicContact CD1-CG1 4.28Å; D361-V365 WeakPolarHBondContact O-CG2 3.36Å; D361-V365 PolarHBondContact O-N 3.49Å; I362-V365 PolarHBondContact O-N 3.14Å; V365-E368 PolarHBondContact O-N 3.34Å
366F92.9Very high89.9Confident0 Ų031.4 Ų31.40%015%0.149CC..Hα-helixtrans-73-26.5178-70.4-12.7000114.1P295 I298 L305 I362 K364 E368 N369 A372 Y373 L375 N376 I380P295-F366 HydrophobicContact CB-CD1 4.17Å; P295-F366 HydrophobicContact CB-CE1 4.39Å; I298-F366 HydrophobicContact CB-CE1 4.18Å; I298-F366 HydrophobicContact CB-CZ 4.15Å; I298-F366 HydrophobicContact CG2-CE1 4.22Å; I298-F366 HydrophobicContact CG2-CZ 3.72Å; L305-F366 HydrophobicContact CD1-CE2 3.89Å; L305-F366 HydrophobicContact CD1-CZ 3.78Å; I362-F366 HydrophobicContact CG2-CD2 3.84Å; I362-F366 HydrophobicContact CG2-CE2 3.54Å; I362-F366 HydrophobicContact CG2-CG 4.45Å; I362-F366 HydrophobicContact CG2-CZ 3.92Å; I362-F366 PolarHBondContact O-N 3.03Å; K364-F366 VanDerWaalsContact C-N 3.3Å; K364-F366 PolarHBondContact O-N 3.34Å; F366-E368 VanDerWaalsContact C-N 3.34Å; F366-N369 PolarHBondContact O-N 2.89Å; F366-N369 VanDerWaalsContact O-O 3.13Å; F366-A372 HydrophobicContact CB-CB 4.23Å; F366-A372 HydrophobicContact CD1-CB 3.85Å; F366-A372 HydrophobicContact CG-CB 4.16Å; F366-A372 CarbonylContact O-C 3.47Å; F366-Y373 WeakPolarHBondContact O-CA 3.47Å; F366-Y373 WeakPolarHBondContact O-CB 3.43Å; F366-Y373 PolarHBondContact O-N 3.49Å; F366-Y373 VanDerWaalsContact O-N 3.07Å; F366-L375 HydrophobicContact CD2-CB 3.93Å; F366-L375 HydrophobicContact CD2-CD1 4.49Å; F366-L375 HydrophobicContact CE2-CB 4.02Å; F366-L375 HydrophobicContact CE2-CD1 4.04Å; F366-L375 HydrophobicContact CZ-CD1 4.18Å; F366-N376 WeakPolarHBondContact CB-OD1 3.46Å; F366-I380 HydrophobicContact CD2-CG1 3.95Å; F366-I380 HydrophobicContact CE2-CD1 4.24Å; F366-I380 HydrophobicContact CE2-CG1 4.03Å
367R90.1Very high89.5Confident83 Ų8334.4 Ų34.431%0.31317%0.165SC..Hα-helixtrans-70.8-34.7176.5-171.3-171.4-47.6168.417.6111.5R25 Q249 H363 K364 N369 N376R25-R367 PolarHBondContact NH2-O 2.96Å; Q249-R367 VanDerWaalsContact OE1-CZ 3.25Å; H363-R367 PolarHBondContact CE1-NH2 2.99Å; H363-R367 VanDerWaalsContact CE1-NH2 3.25Å; H363-R367 PolarHBondContact ND1-NH2 3.35Å; H363-R367 VanDerWaalsContact ND1-NH2 3.14Å; H363-R367 WeakPolarHBondContact O-CB 3.45Å; H363-R367 PolarHBondContact O-N 3.04Å; K364-R367 WeakPolarHBondContact O-CB 3.37Å; K364-R367 PolarHBondContact O-N 2.95Å; R367-N369 PolarHBondContact O-N 3.49Å; R367-N376 PolarHBondContact N-ND2 3.32Å
368E87.6Confident89.2Confident133 Ų13332.6 Ų32.662%0.62116%0.157SC*.Hα-helixtrans-76.2-11.7-178.8-68.2171.6-174.300112.3K364 V365 F366K364-E368 WeakPolarHBondContact CE-OE1 3.19Å; K364-E368 WeakPolarHBondContact CG-OE1 3.34Å; K364-E368 PolarHBondContact O-N 2.7Å; K364-E368 VanDerWaalsContact O-N 3.13Å; V365-E368 PolarHBondContact O-N 3.34Å; F366-E368 VanDerWaalsContact C-N 3.34Å
369N83.3Confident89Confident43 Ų4332.8 Ų32.823%0.2316%0.158CC..SBendtrans-107.4121.1180-175.5-95000112.1P295 F366 R367 P371 A372 Y373P295-N369 HydrophobicContact CB-CB 3.94Å; P295-N369 HydrophobicContact CG-CB 3.82Å; F366-N369 PolarHBondContact O-N 2.89Å; F366-N369 VanDerWaalsContact O-O 3.13Å; R367-N369 PolarHBondContact O-N 3.49Å; N369-P371 WeakPolarHBondContact OD1-CD 3.33Å; N369-P371 WeakPolarHBondContact OD1-CG 3Å; N369-A372 HydrophobicContact CB-CB 4.04Å; N369-A372 PolarHBondContact O-N 3.39Å; N369-A372 WeakPolarHBondContact OD1-CB 3.49Å; N369-A372 PolarHBondContact OD1-N 2.91Å; N369-Y373 PolarHBondContact O-N 3.46Å
370D64.8Low88.9Confident95 Ų9532.8 Ų32.851%0.50816%0.158SC..THydrogen-bonded Turntrans-58-34-170.5-79.3-0.7000116.5Y373D370-Y373 WeakPolarHBondContact O-CD1 3.46Å; D370-Y373 WeakPolarHBondContact O-CE1 3.48Å
371P77.8Confident88.7Confident33 Ų3333.4 Ų33.421%0.21416%0.163CC..THydrogen-bonded Turntrans-91.3-32172.633.2-37.5000112.6V174 N369 Y373V174-P371 VanDerWaalsContact CG2-C 3.47Å; V174-P371 HydrophobicContact CG2-CB 3.56Å; V174-P371 HydrophobicContact CG2-CG 4.47Å; V174-P371 WeakPolarHBondContact CG2-O 3.17Å; N369-P371 WeakPolarHBondContact OD1-CD 3.33Å; N369-P371 WeakPolarHBondContact OD1-CG 3Å; P371-Y373 VanDerWaalsContact C-N 3.34Å; P371-Y373 PolarHBondContact O-N 2.95Å
372A83.9Confident88.5Confident0 Ų031.7 Ų31.70%015%0.154CC..THydrogen-bonded Turntrans-74.9-16.1-171.500000115P295 F366 N369 I374 L375P295-A372 HydrophobicContact CB-CB 4.45Å; F366-A372 HydrophobicContact CB-CB 4.23Å; F366-A372 HydrophobicContact CD1-CB 3.85Å; F366-A372 HydrophobicContact CG-CB 4.16Å; F366-A372 CarbonylContact O-C 3.47Å; N369-A372 HydrophobicContact CB-CB 4.04Å; N369-A372 PolarHBondContact O-N 3.39Å; N369-A372 WeakPolarHBondContact OD1-CB 3.49Å; N369-A372 PolarHBondContact OD1-N 2.91Å; A372-I374 PolarHBondContact O-N 3.29Å; A372-I374 VanDerWaalsContact O-N 3.08Å; A372-L375 WeakPolarHBondContact O-CB 3.44Å; A372-L375 PolarHBondContact O-N 3.12Å
373Y85.1Confident88.4Confident37 Ų3731.7 Ų31.715%0.14515%0.154CC..THydrogen-bonded Turntrans-58-28.1-176.979-86.2000113.3E170 F366 N369 D370 P371 L375 N376E170-Y373 PolarHBondContact OE2-OH 3.32Å; F366-Y373 WeakPolarHBondContact O-CA 3.47Å; F366-Y373 WeakPolarHBondContact O-CB 3.43Å; F366-Y373 PolarHBondContact O-N 3.49Å; F366-Y373 VanDerWaalsContact O-N 3.07Å; N369-Y373 PolarHBondContact O-N 3.46Å; D370-Y373 WeakPolarHBondContact O-CD1 3.46Å; D370-Y373 WeakPolarHBondContact O-CE1 3.48Å; P371-Y373 VanDerWaalsContact C-N 3.34Å; P371-Y373 PolarHBondContact O-N 2.95Å; Y373-L375 PolarHBondContact O-N 3.22Å; Y373-N376 VanDerWaalsContact O-CB 3.22Å; Y373-N376 WeakPolarHBondContact O-CB 3.42Å; Y373-N376 PolarHBondContact O-N 3Å
374I85.3Confident88.3Confident5 Ų531.3 Ų31.33%0.02615%0.152CC..Hα-helixtrans-63.2-29179.9-53.5165.7000111L167 E170 L171 A372 N376 D377 L378L167-I374 HydrophobicContact CB-CD1 4.41Å; L167-I374 HydrophobicContact CD1-CD1 4Å; L167-I374 HydrophobicContact CD1-CG1 4.33Å; L167-I374 HydrophobicContact CD1-CG2 4.22Å; E170-I374 HydrophobicContact CB-CD1 3.97Å; L171-I374 HydrophobicContact CD2-CB 3.93Å; L171-I374 HydrophobicContact CD2-CD1 3.64Å; L171-I374 HydrophobicContact CD2-CG1 4.4Å; L171-I374 HydrophobicContact CD2-CG2 3.73Å; L171-I374 HydrophobicContact CG-CD1 3.83Å; A372-I374 PolarHBondContact O-N 3.29Å; A372-I374 VanDerWaalsContact O-N 3.08Å; I374-N376 PolarHBondContact O-N 3.31Å; I374-D377 PolarHBondContact O-N 3.29Å; I374-D377 VanDerWaalsContact O-N 3.13Å; I374-L378 HydrophobicContact CG2-CD1 4Å; I374-L378 HydrophobicContact CG2-CG 4.15Å; I374-L378 WeakPolarHBondContact O-CG 3.36Å; I374-L378 PolarHBondContact O-N 3.41Å
375L89.8Confident88.1Confident0 Ų026.4 Ų26.40%013%0.131CC..Hα-helixtrans-65.8-24.6174.7-62.5177.6000112.4V174 I175 R299 L305 F366 A372 Y373 Y379 I380V174-L375 HydrophobicContact CG1-CD1 3.61Å; V174-L375 HydrophobicContact CG1-CD2 4.07Å; V174-L375 HydrophobicContact CG1-CG 3.76Å; I175-L375 HydrophobicContact CD1-CD2 4.27Å; R299-L375 HydrophobicContact CB-CD1 4.09Å; L305-L375 HydrophobicContact CB-CD1 4.25Å; L305-L375 HydrophobicContact CD2-CB 4.45Å; L305-L375 HydrophobicContact CD2-CD1 4.37Å; L305-L375 HydrophobicContact CD2-CD2 4.31Å; F366-L375 HydrophobicContact CD2-CB 3.93Å; F366-L375 HydrophobicContact CD2-CD1 4.49Å; F366-L375 HydrophobicContact CE2-CB 4.02Å; F366-L375 HydrophobicContact CE2-CD1 4.04Å; F366-L375 HydrophobicContact CZ-CD1 4.18Å; A372-L375 WeakPolarHBondContact O-CB 3.44Å; A372-L375 PolarHBondContact O-N 3.12Å; Y373-L375 PolarHBondContact O-N 3.22Å; L375-Y379 HydrophobicContact CD2-CD2 4.36Å; L375-Y379 PolarHBondContact O-N 3.43Å; L375-I380 PolarHBondContact O-N 3Å; L375-I380 VanDerWaalsContact O-N 3.15Å
376N91.1Very high88Confident4 Ų427 Ų272%0.02113%0.132CC..Iπ-helixtrans-64.5-45.1171.7-68.6-30.6000110.9H363 F366 R367 Y373 I374 I380 T381H363-N376 WeakPolarHBondContact CA-OD1 3.45Å; H363-N376 PolarHBondContact ND1-ND2 2.96Å; H363-N376 PolarHBondContact O-ND2 3.36Å; F366-N376 WeakPolarHBondContact CB-OD1 3.46Å; R367-N376 PolarHBondContact N-ND2 3.32Å; Y373-N376 VanDerWaalsContact O-CB 3.22Å; Y373-N376 WeakPolarHBondContact O-CB 3.42Å; Y373-N376 PolarHBondContact O-N 3Å; I374-N376 PolarHBondContact O-N 3.31Å; N376-I380 PolarHBondContact O-N 3.38Å; N376-T381 WeakPolarHBondContact O-CB 3.31Å; N376-T381 PolarHBondContact O-N 2.91Å; N376-T381 PolarHBondContact O-OG1 2.91Å
377D86.7Confident87.9Confident73 Ų7327.1 Ų27.139%0.3913%0.133SC..Iπ-helixtrans-74-32.7-179-67.7-16.2000112.5I374I374-D377 PolarHBondContact O-N 3.29Å; I374-D377 VanDerWaalsContact O-N 3.13Å
378L88.5Confident87.8Confident4 Ų427.5 Ų27.52%0.02114%0.138CC..Iπ-helixtrans-77.1-36.7178.3-70.4177.9000113.3Y154 G155 F156 R160 V163 F164 I374Y154-L378 HydrophobicContact CD2-CD2 4.31Å; Y154-L378 HydrophobicContact CE2-CD2 4.03Å; G155-L378 CarbonylContact C-O 3.48Å; G155-L378 WeakPolarHBondContact CA-O 3.33Å; F156-L378 PolarHBondContact N-O 3.47Å; R160-L378 HydrophobicContact CB-CD2 4.33Å; R160-L378 HydrophobicContact CG-CD2 4.34Å; V163-L378 HydrophobicContact CB-CD2 4.31Å; V163-L378 HydrophobicContact CG1-CD2 4.22Å; V163-L378 HydrophobicContact CG2-CD2 4.07Å; F164-L378 HydrophobicContact CE2-CD1 4.46Å; F164-L378 HydrophobicContact CZ-CD1 4.34Å; I374-L378 HydrophobicContact CG2-CD1 4Å; I374-L378 HydrophobicContact CG2-CG 4.15Å; I374-L378 WeakPolarHBondContact O-CG 3.36Å; I374-L378 PolarHBondContact O-N 3.41Å
379Y92.7Very high87.8Confident4 Ų427.2 Ų27.22%0.01613%0.131CC..Iπ-helixtrans-133-62.7-170.2-68.1-84.9000113.3G155 T304 L305 L308 L375 T381 D382 Y383G155-Y379 PolarHBondContact N-OH 2.95Å; G155-Y379 WeakPolarHBondContact O-CE1 3.17Å; T304-Y379 HydrophobicContact CG2-CD1 3.93Å; T304-Y379 HydrophobicContact CG2-CE1 3.44Å; T304-Y379 VanDerWaalsContact CG2-CE1 3.44Å; T304-Y379 PolarHBondContact O-OH 3.37Å; L305-Y379 HydrophobicContact CD2-CD2 3.84Å; L305-Y379 HydrophobicContact CD2-CE2 4.47Å; L305-Y379 HydrophobicContact CD2-CG 3.98Å; L308-Y379 HydrophobicContact CD2-CE2 3.8Å; L308-Y379 WeakPolarHBondContact CD2-OH 3.46Å; L375-Y379 HydrophobicContact CD2-CD2 4.36Å; L375-Y379 PolarHBondContact O-N 3.43Å; Y379-T381 PolarHBondContact O-N 3.46Å; Y379-D382 PolarHBondContact O-N 2.86Å; Y379-Y383 HydrophobicContact CD1-CE2 4.2Å; Y379-Y383 WeakPolarHBondContact O-CD2 3.48Å; Y379-Y383 PolarHBondContact O-N 3.2Å
380I94.9Very high87.9Confident0 Ų026.3 Ų26.30%013%0.127CC..Iπ-helixtrans-67.9-41.5-159.7-48.7-57000112.7I275 L359 I362 H363 F366 L375 N376 D382 Y383 C384I275-I380 HydrophobicContact CD1-CD1 4.18Å; I275-I380 HydrophobicContact CG2-CD1 4.15Å; L359-I380 WeakPolarHBondContact O-CG2 3.46Å; I362-I380 HydrophobicContact CG2-CD1 3.92Å; I362-I380 HydrophobicContact CG2-CG1 4.09Å; I362-I380 HydrophobicContact CG2-CG2 4.45Å; H363-I380 HydrophobicContact CB-CG2 3.84Å; F366-I380 HydrophobicContact CD2-CG1 3.95Å; F366-I380 HydrophobicContact CE2-CD1 4.24Å; F366-I380 HydrophobicContact CE2-CG1 4.03Å; L375-I380 PolarHBondContact O-N 3Å; L375-I380 VanDerWaalsContact O-N 3.15Å; N376-I380 PolarHBondContact O-N 3.38Å; I380-D382 PolarHBondContact O-N 3.08Å; I380-Y383 WeakPolarHBondContact O-CB 3.3Å; I380-Y383 PolarHBondContact O-N 3.48Å; I380-C384 PolarHBondContact O-N 3.42Å; I380-C384 PolarHBondContact O-SG 3.34Å; I380-C384 VanDerWaalsContact O-SG 3.39Å
381T91.9Very high88.7Confident23 Ų2325 Ų2514%0.14113%0.126CC..Hα-helixtrans-60-45.9178.5-64.70000111.4F253 H363 N376 Y379 Y383 C384 I385F253-T381 HydrophobicContact CD1-CG2 3.79Å; F253-T381 HydrophobicContact CE1-CG2 3.89Å; H363-T381 PolarHBondContact NE2-OG1 3.34Å; N376-T381 WeakPolarHBondContact O-CB 3.31Å; N376-T381 PolarHBondContact O-N 2.91Å; N376-T381 PolarHBondContact O-OG1 2.91Å; Y379-T381 PolarHBondContact O-N 3.46Å; T381-Y383 VanDerWaalsContact C-N 3.33Å; T381-Y383 PolarHBondContact O-N 3.13Å; T381-C384 WeakPolarHBondContact O-CB 3.23Å; T381-C384 PolarHBondContact O-N 3.02Å; T381-I385 HydrophobicContact CG2-CD1 4.11Å; T381-I385 WeakPolarHBondContact O-CG1 3.5Å; T381-I385 PolarHBondContact O-N 2.63Å; T381-I385 VanDerWaalsContact O-N 3.13Å
382D91.4Very high89Confident3 Ų325.2 Ų25.22%0.01613%0.128CC..Hα-helixtrans-67.4-35.5178.5-74.7-34000111.2F156 R160 F258 Y379 I380 I385 W386F156-D382 HydrophobicContact CB-CB 3.67Å; F156-D382 HydrophobicContact CD1-CB 3.85Å; F156-D382 HydrophobicContact CD2-CB 3.87Å; F156-D382 HydrophobicContact CG-CB 3.5Å; R160-D382 IonicContact CZ-OD2 3.35Å; R160-D382 IonicContact NE-OD2 3.06Å; R160-D382 IonicContact NH2-OD1 3.8Å; R160-D382 IonicContact NH2-OD2 3.71Å; R160-D382 PolarHBondContact NH2-OD2 3.01Å; F258-D382 HydrophobicContact CE1-CB 4.02Å; F258-D382 HydrophobicContact CZ-CB 3.78Å; F258-D382 WeakPolarHBondContact CZ-OD1 3.35Å; Y379-D382 PolarHBondContact O-N 2.86Å; I380-D382 PolarHBondContact O-N 3.08Å; D382-I385 PolarHBondContact O-N 3.02Å; D382-W386 WeakPolarHBondContact O-CB 3.49Å; D382-W386 PolarHBondContact O-N 3.01Å
383Y94.7Very high89.1Confident0 Ų032 Ų320%016%0.157CC..Hα-helixtrans-63.5-43.5171.7-83.8-59.7000113.1F156 A268 S271 L272 I275 Y379 I380 T381 I385 W386 I387F156-Y383 AromaticContact CD2-CD1 3.79Å; F156-Y383 HydrophobicContact CD2-CD1 3.79Å; F156-Y383 AromaticContact CD2-CD2 3.99Å; F156-Y383 HydrophobicContact CD2-CD2 3.99Å; F156-Y383 AromaticContact CD2-CE1 3.6Å; F156-Y383 HydrophobicContact CD2-CE1 3.6Å; F156-Y383 AromaticContact CD2-CE2 3.85Å; F156-Y383 HydrophobicContact CD2-CE2 3.85Å; F156-Y383 AromaticContact CD2-CG 3.92Å; F156-Y383 HydrophobicContact CD2-CG 3.92Å; F156-Y383 AromaticContact CD2-CZ 3.6Å; F156-Y383 AromaticContact CE2-CD1 3.56Å; F156-Y383 HydrophobicContact CE2-CD1 3.56Å; F156-Y383 AromaticContact CE2-CE1 3.44Å; F156-Y383 HydrophobicContact CE2-CE1 3.44Å; F156-Y383 VanDerWaalsContact CE2-CE1 3.44Å; F156-Y383 HydrophobicContact CE2-CG 4.1Å; F156-Y383 AromaticContact CE2-CZ 3.94Å; A268-Y383 HydrophobicContact CB-CE1 4.41Å; A268-Y383 WeakPolarHBondContact O-CE1 3.38Å; A268-Y383 PolarHBondContact O-OH 2.99Å; S271-Y383 PolarHBondContact OG-OH 3.5Å; L272-Y383 HydrophobicContact CB-CD1 4.12Å; L272-Y383 HydrophobicContact CB-CE1 3.76Å; L272-Y383 HydrophobicContact CD1-CD1 4.03Å; L272-Y383 HydrophobicContact CD1-CE1 4.5Å; L272-Y383 HydrophobicContact CD1-CG 4.35Å; L272-Y383 HydrophobicContact CG-CD1 4.49Å; I275-Y383 HydrophobicContact CD1-CD2 4.05Å; I275-Y383 HydrophobicContact CD1-CE2 3.77Å; Y379-Y383 HydrophobicContact CD1-CE2 4.2Å; Y379-Y383 WeakPolarHBondContact O-CD2 3.48Å; Y379-Y383 PolarHBondContact O-N 3.2Å; I380-Y383 WeakPolarHBondContact O-CB 3.3Å; I380-Y383 PolarHBondContact O-N 3.48Å; T381-Y383 VanDerWaalsContact C-N 3.33Å; T381-Y383 PolarHBondContact O-N 3.13Å; Y383-I385 VanDerWaalsContact C-N 3.26Å; Y383-I385 PolarHBondContact O-N 2.98Å; Y383-W386 HydrophobicContact CD1-CE3 4.05Å; Y383-W386 HydrophobicContact CD1-CZ3 4.45Å; Y383-W386 HydrophobicContact CE1-CE3 4.32Å; Y383-W386 HydrophobicContact CE1-CZ3 4.42Å; Y383-W386 PolarHBondContact O-N 3.4Å; Y383-I387 WeakPolarHBondContact O-CB 3.39Å; Y383-I387 WeakPolarHBondContact O-CG2 3.37Å; Y383-I387 PolarHBondContact O-N 2.89Å
384C93.4Very high89Confident0 Ų035.2 Ų35.20%017%0.172CC..Hα-helixtrans-57.4-39.9175.2-76.10000111.8F253 L356 L359 I380 T381 Q388F253-C384 HydrophobicContact CD2-CB 4.16Å; F253-C384 HydrophobicContact CE2-CB 3.6Å; F253-C384 HydrophobicContact CZ-CB 4.11Å; L356-C384 HydrophobicContact CD1-CB 3.94Å; L356-C384 WeakPolarHBondContact CD1-O 3.41Å; L359-C384 VanDerWaalsContact CB-SG 3.58Å; I380-C384 PolarHBondContact O-N 3.42Å; I380-C384 PolarHBondContact O-SG 3.34Å; I380-C384 VanDerWaalsContact O-SG 3.39Å; T381-C384 WeakPolarHBondContact O-CB 3.23Å; T381-C384 PolarHBondContact O-N 3.02Å; C384-Q388 WeakPolarHBondContact O-CG 3.46Å; C384-Q388 PolarHBondContact O-NE2 2.95Å
385I89.8Confident89.1Confident8 Ų835.1 Ų35.14%0.04117%0.172CC..Hα-helixtrans-75.9-44178.4-61.4160.9000110.8F253 T254 F258 T381 D382 Y383F253-I385 HydrophobicContact CB-CD1 4.23Å; F253-I385 HydrophobicContact CB-CG1 4.01Å; F253-I385 HydrophobicContact CG-CG1 4.4Å; T254-I385 WeakPolarHBondContact O-CD1 3.38Å; F258-I385 HydrophobicContact CE2-CB 3.97Å; F258-I385 HydrophobicContact CE2-CG2 3.76Å; F258-I385 HydrophobicContact CZ-CB 4.35Å; F258-I385 HydrophobicContact CZ-CG2 4.37Å; T381-I385 HydrophobicContact CG2-CD1 4.11Å; T381-I385 WeakPolarHBondContact O-CG1 3.5Å; T381-I385 PolarHBondContact O-N 2.63Å; T381-I385 VanDerWaalsContact O-N 3.13Å; D382-I385 PolarHBondContact O-N 3.02Å; Y383-I385 VanDerWaalsContact C-N 3.26Å; Y383-I385 PolarHBondContact O-N 2.98Å
386W91.4Very high89Confident20 Ų2039 Ų398%0.07619%0.192CC..Hα-helixtrans-65.1-46.4-174.9177.675.3000112.2F156 F258 R265 A268 W269 L272 D382 Y383 Q388 R389 V390F156-W386 HydrophobicContact CE2-CB 3.9Å; F156-W386 HydrophobicContact CE2-CD2 4.18Å; F156-W386 HydrophobicContact CE2-CE3 4.38Å; F156-W386 AromaticContact CE2-CG 3.99Å; F156-W386 HydrophobicContact CE2-CG 3.99Å; F156-W386 HydrophobicContact CZ-CB 3.66Å; F156-W386 AromaticContact CZ-CD1 3.79Å; F156-W386 HydrophobicContact CZ-CD2 4Å; F156-W386 AromaticContact CZ-CG 3.54Å; F156-W386 HydrophobicContact CZ-CG 3.54Å; F258-W386 HydrophobicContact CD2-CB 3.91Å; F258-W386 AromaticContact CD2-CD1 3.95Å; F258-W386 HydrophobicContact CD2-CG 4.35Å; F258-W386 HydrophobicContact CE2-CB 3.89Å; R265-W386 HydrophobicContact CG-CZ2 4.38Å; A268-W386 HydrophobicContact CB-CH2 4.27Å; A268-W386 HydrophobicContact CB-CZ2 4.29Å; W269-W386 AromaticContact CD1-CH2 3.93Å; W269-W386 AromaticContact CD2-CH2 3.66Å; W269-W386 HydrophobicContact CD2-CH2 3.66Å; W269-W386 HydrophobicContact CD2-CZ3 4.32Å; W269-W386 AromaticContact CE2-CH2 3.61Å; W269-W386 HydrophobicContact CE3-CH2 4.16Å; W269-W386 HydrophobicContact CE3-CZ3 4.38Å; W269-W386 AromaticContact CG-CH2 3.94Å; W269-W386 HydrophobicContact CG-CH2 3.94Å; W269-W386 HydrophobicContact CZ2-CH2 4.18Å; W269-W386 AromaticContact NE1-CH2 3.71Å; L272-W386 HydrophobicContact CD2-CZ3 3.99Å; D382-W386 WeakPolarHBondContact O-CB 3.49Å; D382-W386 PolarHBondContact O-N 3.01Å; Y383-W386 HydrophobicContact CD1-CE3 4.05Å; Y383-W386 HydrophobicContact CD1-CZ3 4.45Å; Y383-W386 HydrophobicContact CE1-CE3 4.32Å; Y383-W386 HydrophobicContact CE1-CZ3 4.42Å; Y383-W386 PolarHBondContact O-N 3.4Å; W386-Q388 PolarHBondContact O-N 3.12Å; W386-Q388 VanDerWaalsContact O-N 3.12Å; W386-R389 PolarHBondContact O-N 3.28Å; W386-V390 HydrophobicContact CD2-CG2 3.67Å; W386-V390 VanDerWaalsContact CE2-CG2 3.45Å; W386-V390 HydrophobicContact CE3-CG2 3.99Å; W386-V390 HydrophobicContact CG-CG2 4.26Å; W386-V390 HydrophobicContact CH2-CG2 3.99Å; W386-V390 HydrophobicContact CZ2-CG2 3.64Å; W386-V390 HydrophobicContact CZ3-CG2 4.14Å; W386-V390 WeakPolarHBondContact O-CG2 3.4Å
387I91.6Very high88.8Confident1 Ų142.2 Ų42.21%0.00521%0.207CC..Hα-helixtrans-61.1-27.8-174-159.462.5000113.1W269 L272 V355 L356 L359 Y383 R389 V390 M395W269-I387 HydrophobicContact CH2-CD1 4.37Å; W269-I387 HydrophobicContact CZ3-CD1 4.36Å; L272-I387 HydrophobicContact CD2-CD1 3.82Å; V355-I387 HydrophobicContact CB-CG1 4.2Å; V355-I387 HydrophobicContact CG1-CD1 4.17Å; V355-I387 HydrophobicContact CG1-CG1 3.82Å; L356-I387 HydrophobicContact CB-CG2 4.12Å; L356-I387 HydrophobicContact CD1-CG2 3.98Å; L359-I387 HydrophobicContact CD1-CG2 4.17Å; Y383-I387 WeakPolarHBondContact O-CB 3.39Å; Y383-I387 WeakPolarHBondContact O-CG2 3.37Å; Y383-I387 PolarHBondContact O-N 2.89Å; I387-R389 PolarHBondContact O-N 3.46Å; I387-V390 PolarHBondContact O-N 3.45Å; I387-M395 HydrophobicContact CD1-CE 3.51Å; I387-M395 HydrophobicContact CG1-CE 4.02Å
388Q89.1Confident88.9Confident91 Ų9139.3 Ų39.343%0.42519%0.191SC..THydrogen-bonded Turntrans-64.6-23.3178.1-67.5177.36100113.1L356 C384 W386L356-Q388 HydrophobicContact CD2-CG 3.89Å; C384-Q388 WeakPolarHBondContact O-CG 3.46Å; C384-Q388 PolarHBondContact O-NE2 2.95Å; W386-Q388 PolarHBondContact O-N 3.12Å; W386-Q388 VanDerWaalsContact O-N 3.12Å
389R85.9Confident89Confident127 Ų12739.1 Ų39.148%0.47919%0.19SC..THydrogen-bonded Turntrans-104.7-5.4-174.9-61.3178.2173.8-148.76.1113.6N255 R256 S257 W386 I387N255-R389 PolarHBondContact OD1-NH2 3.3Å; R256-R389 PolarHBondContact O-NH2 2.86Å; S257-R389 VanDerWaalsContact CA-NH1 3.3Å; S257-R389 VanDerWaalsContact CB-NH1 3.25Å; W386-R389 PolarHBondContact O-N 3.28Å; I387-R389 PolarHBondContact O-N 3.46Å
390V85.1Confident88.9Confident25 Ų2541.3 Ų41.315%0.15221%0.206CC..SBendtrans-82.6149.5-174.1171.20000110.8W269 W386 I387W269-V390 HydrophobicContact CH2-CG1 3.55Å; W269-V390 HydrophobicContact CZ2-CG1 3.16Å; W386-V390 HydrophobicContact CD2-CG2 3.67Å; W386-V390 VanDerWaalsContact CE2-CG2 3.45Å; W386-V390 HydrophobicContact CE3-CG2 3.99Å; W386-V390 HydrophobicContact CG-CG2 4.26Å; W386-V390 HydrophobicContact CH2-CG2 3.99Å; W386-V390 HydrophobicContact CZ2-CG2 3.64Å; W386-V390 HydrophobicContact CZ3-CG2 4.14Å; W386-V390 WeakPolarHBondContact O-CG2 3.4Å; I387-V390 PolarHBondContact O-N 3.45Å
391S82.8Confident88.5Confident68 Ų6846 Ų4648%0.47623%0.23SC..  trans-76.4131.3179.163.80000112.3K393 K394S391-K393 PolarHBondContact O-N 3.01Å; S391-K394 PolarHBondContact O-N 3.2Å; S391-K394 VanDerWaalsContact O-N 3.15Å
392S84.8Confident88.4Confident37 Ų3745 Ų4526%0.25922%0.223SC..Hα-helixtrans-58-31.5178.1-49.40000112.8K394 M395 L396S392-K394 VanDerWaalsContact C-N 3.35Å; S392-K394 PolarHBondContact O-N 2.53Å; S392-M395 WeakPolarHBondContact O-CB 3.33Å; S392-M395 PolarHBondContact O-N 2.91Å; S392-L396 WeakPolarHBondContact O-CG 3.43Å; S392-L396 PolarHBondContact O-N 2.81Å
393K85Confident88.3Confident142 Ų14250.1 Ų50.162%0.61725%0.247SC*.Hα-helixtrans-56.4-44.6176.3-176.8175.8178.5176.50112.8S391 M395 L396 E397S391-K393 PolarHBondContact O-N 3.01Å; K393-M395 VanDerWaalsContact C-N 3.3Å; K393-M395 PolarHBondContact O-N 3.38Å; K393-L396 PolarHBondContact O-N 2.93Å; K393-E397 WeakPolarHBondContact CE-OE1 3.16Å; K393-E397 WeakPolarHBondContact O-CG 3.44Å; K393-E397 PolarHBondContact O-N 3.18Å
394K83Confident87.8Confident105 Ų10557.2 Ų57.246%0.45728%0.28SS..Hα-helixtrans-68.6-32.8-179.2-75.3-73.9164.4-1560112.2W269 S391 S392 E397 L398W269-K394 HydrophobicContact CZ2-CB 3.89Å; S391-K394 PolarHBondContact O-N 3.2Å; S391-K394 VanDerWaalsContact O-N 3.15Å; S392-K394 VanDerWaalsContact C-N 3.35Å; S392-K394 PolarHBondContact O-N 2.53Å; K394-E397 WeakPolarHBondContact CD-OE2 3.39Å; K394-E397 WeakPolarHBondContact CE-OE2 3.38Å; K394-E397 IonicContact NZ-OE1 3.93Å; K394-E397 IonicContact NZ-OE2 2.63Å; K394-E397 PolarHBondContact NZ-OE2 3.17Å; K394-L398 WeakPolarHBondContact O-CB 3.39Å; K394-L398 PolarHBondContact O-N 2.93Å
395M86.6Confident87.4Confident3 Ų359.1 Ų59.12%0.01529%0.291CS..Hα-helixtrans-66.1-45174.8-171.3175.4-72.700111.7W269 L348 G351 K352 V355 I387 S392 K393 L398 A399W269-M395 HydrophobicContact CH2-CB 4Å; W269-M395 HydrophobicContact CH2-CE 4.16Å; W269-M395 HydrophobicContact CH2-CG 4.47Å; W269-M395 HydrophobicContact CZ3-CE 4.43Å; L348-M395 HydrophobicContact CB-CG 3.98Å; L348-M395 HydrophobicContact CD2-CG 3.81Å; L348-M395 HydrophobicContact CD2-SD 4.49Å; L348-M395 VanDerWaalsContact O-CG 3.27Å; L348-M395 WeakPolarHBondContact O-CG 3.15Å; L348-M395 VanDerWaalsContact O-SD 3.32Å; G351-M395 VanDerWaalsContact C-SD 3.54Å; K352-M395 HydrophobicContact CB-CE 4.21Å; V355-M395 HydrophobicContact CB-CE 4.42Å; V355-M395 HydrophobicContact CG2-CE 3.87Å; V355-M395 HydrophobicContact CG2-SD 3.9Å; I387-M395 HydrophobicContact CD1-CE 3.51Å; I387-M395 HydrophobicContact CG1-CE 4.02Å; S392-M395 WeakPolarHBondContact O-CB 3.33Å; S392-M395 PolarHBondContact O-N 2.91Å; K393-M395 VanDerWaalsContact C-N 3.3Å; K393-M395 PolarHBondContact O-N 3.38Å; M395-L398 PolarHBondContact O-N 2.95Å; M395-A399 WeakPolarHBondContact O-CB 3.38Å; M395-A399 PolarHBondContact O-N 3.3Å
396L88.5Confident87.1Confident80 Ų8064.6 Ų64.642%0.41932%0.32SS..Hα-helixtrans-65-40.5175.9-67.1174.6000112.2S392 K393 A399 S400S392-L396 WeakPolarHBondContact O-CG 3.43Å; S392-L396 PolarHBondContact O-N 2.81Å; K393-L396 PolarHBondContact O-N 2.93Å; L396-A399 PolarHBondContact O-N 3.45Å; L396-S400 PolarHBondContact O-N 3.14Å
397E87.9Confident87.1Confident73 Ų7364.7 Ų64.734%0.34132%0.322SS..Hα-helixtrans-58.3-47.2172.4-74.9172.1-166.600110.9K393 K394 A399 S400 M401K393-E397 WeakPolarHBondContact CE-OE1 3.16Å; K393-E397 WeakPolarHBondContact O-CG 3.44Å; K393-E397 PolarHBondContact O-N 3.18Å; K394-E397 WeakPolarHBondContact CD-OE2 3.39Å; K394-E397 WeakPolarHBondContact CE-OE2 3.38Å; K394-E397 IonicContact NZ-OE1 3.93Å; K394-E397 IonicContact NZ-OE2 2.63Å; K394-E397 PolarHBondContact NZ-OE2 3.17Å; E397-A399 PolarHBondContact O-N 3.38Å; E397-S400 PolarHBondContact O-N 3.42Å; E397-M401 WeakPolarHBondContact O-CG 3.41Å; E397-M401 PolarHBondContact O-N 3.41Å
398L88.1Confident87.2Confident11 Ų1168.1 Ų68.16%0.05834%0.338CS..Hα-helixtrans-63-41.6177.6-177.161.2000112.3W269 L348 K394 M395 S400 M401 L402W269-L398 HydrophobicContact CB-CD2 4.47Å; W269-L398 HydrophobicContact CD2-CD2 4.2Å; W269-L398 HydrophobicContact CE3-CD2 3.52Å; W269-L398 HydrophobicContact CZ3-CD2 4.06Å; L348-L398 HydrophobicContact CD1-CD2 4.2Å; L348-L398 HydrophobicContact CD1-CG 4.14Å; K394-L398 WeakPolarHBondContact O-CB 3.39Å; K394-L398 PolarHBondContact O-N 2.93Å; M395-L398 PolarHBondContact O-N 2.95Å; L398-S400 VanDerWaalsContact C-N 3.35Å; L398-S400 PolarHBondContact O-N 3.36Å; L398-M401 HydrophobicContact CD1-CE 3.57Å; L398-M401 PolarHBondContact O-N 3.26Å; L398-L402 WeakPolarHBondContact O-CB 3.49Å; L398-L402 PolarHBondContact O-N 2.71Å
399A90.9Very high87.4Confident0 Ų065.9 Ų65.90%033%0.327CS..Hα-helixtrans-62.6-42176.700000112.2L348 Q349 M395 L396 E397 L402 Q403L348-A399 HydrophobicContact CB-CB 3.68Å; L348-A399 HydrophobicContact CD1-CB 4.4Å; Q349-A399 HydrophobicContact CG-CB 3.72Å; M395-A399 WeakPolarHBondContact O-CB 3.38Å; M395-A399 PolarHBondContact O-N 3.3Å; L396-A399 PolarHBondContact O-N 3.45Å; E397-A399 PolarHBondContact O-N 3.38Å; A399-L402 PolarHBondContact O-N 3.36Å; A399-Q403 WeakPolarHBondContact O-CG 3.24Å; A399-Q403 PolarHBondContact O-N 3.44Å
400S89.2Confident87.8Confident51 Ų5166.1 Ų66.136%0.35733%0.331SS..Hα-helixtrans-63.9-44.6174.9174.80000111.3L396 E397 L398 L402 Q403 H404L396-S400 PolarHBondContact O-N 3.14Å; E397-S400 PolarHBondContact O-N 3.42Å; L398-S400 VanDerWaalsContact C-N 3.35Å; L398-S400 PolarHBondContact O-N 3.36Å; S400-L402 VanDerWaalsContact C-N 3.28Å; S400-L402 PolarHBondContact O-N 3.08Å; S400-Q403 PolarHBondContact O-N 3.31Å; S400-H404 PolarHBondContact O-CD2 3.32Å; S400-H404 PolarHBondContact O-N 3.15Å; S400-H404 VanDerWaalsContact O-N 3.15Å
401M88.4Confident88.2Confident99 Ų9966.5 Ų66.549%0.48833%0.333SS..Hα-helixtrans-58.5-41.6174.8-69.2-166.8-45.400112L314 E397 L398 H404 T405L314-M401 HydrophobicContact CD2-CB 3.98Å; E397-M401 WeakPolarHBondContact O-CG 3.41Å; E397-M401 PolarHBondContact O-N 3.41Å; L398-M401 HydrophobicContact CD1-CE 3.57Å; L398-M401 PolarHBondContact O-N 3.26Å; M401-H404 PolarHBondContact O-N 3.03Å; M401-T405 PolarHBondContact O-N 3.33Å; M401-T405 VanDerWaalsContact O-N 3.08Å; M401-T405 PolarHBondContact O-OG1 3.34Å
402L89.8Confident88.7Confident1 Ų163.3 Ų63.31%0.00531%0.31CS..Hα-helixtrans-62.5-41.9178.5-170.465.1000112L273 L314 L318 V341 T344 A345 L348 L398 A399 S400 H404 T405L273-L402 HydrophobicContact CD1-CD1 4.18Å; L273-L402 HydrophobicContact CD1-CD2 3.75Å; L273-L402 HydrophobicContact CD2-CD1 4.14Å; L314-L402 HydrophobicContact CD1-CD1 4.02Å; L318-L402 HydrophobicContact CD1-CD1 4.37Å; L318-L402 HydrophobicContact CD2-CD1 3.84Å; V341-L402 HydrophobicContact CG1-CD1 3.84Å; V341-L402 HydrophobicContact CG1-CG 3.87Å; T344-L402 HydrophobicContact CG2-CD2 3.9Å; A345-L402 HydrophobicContact CB-CB 4.45Å; A345-L402 HydrophobicContact CB-CD2 3.9Å; A345-L402 HydrophobicContact CB-CG 4.34Å; L348-L402 HydrophobicContact CD1-CD2 4.37Å; L398-L402 WeakPolarHBondContact O-CB 3.49Å; L398-L402 PolarHBondContact O-N 2.71Å; A399-L402 PolarHBondContact O-N 3.36Å; S400-L402 VanDerWaalsContact C-N 3.28Å; S400-L402 PolarHBondContact O-N 3.08Å; L402-H404 VanDerWaalsContact C-N 3.32Å; L402-H404 PolarHBondContact O-N 3.42Å; L402-T405 PolarHBondContact O-N 3.21Å
403Q88.1Confident89.1Confident110 Ų11069.1 Ų69.151%0.51433%0.333SS..Hα-helixtrans-66.6-31.3177.4-72.1-175.4-27.500113.7A345 A399 S400A345-Q403 HydrophobicContact CB-CG 3.7Å; A399-Q403 WeakPolarHBondContact O-CG 3.24Å; A399-Q403 PolarHBondContact O-N 3.44Å; S400-Q403 PolarHBondContact O-N 3.31Å
404H85.5Confident89.4Confident150 Ų15063 Ų6369%0.69431%0.307SS*.Hα-helixtrans-87.3-12.6179.1-67.8-58.6000113.6S400 M401 L402 L406S400-H404 PolarHBondContact O-CD2 3.32Å; S400-H404 PolarHBondContact O-N 3.15Å; S400-H404 VanDerWaalsContact O-N 3.15Å; M401-H404 PolarHBondContact O-N 3.03Å; L402-H404 VanDerWaalsContact C-N 3.32Å; L402-H404 PolarHBondContact O-N 3.42Å; H404-L406 PolarHBondContact O-N 3.11Å
405T84.6Confident89.9Confident39 Ų3964.4 Ų64.424%0.23932%0.315CS..  trans-85.5103.7-179.6-55.60000109.7L314 L318 M401 L402 L407L314-T405 VanDerWaalsContact CD2-OG1 3.29Å; L314-T405 WeakPolarHBondContact CD2-OG1 3.29Å; L318-T405 HydrophobicContact CD1-CG2 3.5Å; M401-T405 PolarHBondContact O-N 3.33Å; M401-T405 VanDerWaalsContact O-N 3.08Å; M401-T405 PolarHBondContact O-OG1 3.34Å; L402-T405 PolarHBondContact O-N 3.21Å; T405-L407 PolarHBondContact O-N 2.9Å
406L83.4Confident90.3Very high123 Ų12364.4 Ų64.464%0.64432%0.315SS*.  trans-84.7107179.1-174.276.8000110.8R315 H404 Q408R315-L406 PolarHBondContact NH1-O 2.85Å; H404-L406 PolarHBondContact O-N 3.11Å; L406-Q408 HydrophobicContact CD2-CG 4.08Å; L406-Q408 HydrophobicContact CG-CG 4.29Å
407L91.7Very high90.5Very high22 Ų2264.2 Ų64.212%0.11532%0.315CS..  trans-77.5126.1167.8-174.567.4000109.7L318 V319 F334 V337 T405 D411 L412L318-L407 HydrophobicContact CB-CD1 4.23Å; L318-L407 HydrophobicContact CB-CD2 4.34Å; V319-L407 HydrophobicContact CG2-CD1 3.78Å; F334-L407 HydrophobicContact CE2-CD2 4.47Å; F334-L407 HydrophobicContact CZ-CG 4.47Å; V337-L407 HydrophobicContact CG1-CD2 3.76Å; T405-L407 PolarHBondContact O-N 2.9Å; L407-D411 HydrophobicContact CD1-CB 4.13Å; L407-L412 HydrophobicContact CD1-CD2 4.13Å; L407-L412 HydrophobicContact CD2-CD2 4.28Å; L407-L412 HydrophobicContact CG-CD2 4.46Å
408Q92.5Very high90.8Very high73 Ų7367.1 Ų67.134%0.34133%0.328SS..  trans-108.9154.5176-56.9-173.7-26.600109.9L406 K410 D411L406-Q408 HydrophobicContact CD2-CG 4.08Å; L406-Q408 HydrophobicContact CG-CG 4.29Å; Q408-K410 VanDerWaalsContact C-N 3.3Å; Q408-K410 HydrophobicContact CB-CG 4.12Å; Q408-K410 PolarHBondContact O-N 3.08Å; Q408-D411 WeakPolarHBondContact CA-OD2 3.5Å; Q408-D411 VanDerWaalsContact CB-OD2 3.26Å; Q408-D411 WeakPolarHBondContact CB-OD2 3.36Å; Q408-D411 PolarHBondContact N-OD2 3.4Å; Q408-D411 WeakPolarHBondContact O-CB 3.45Å; Q408-D411 PolarHBondContact O-N 3.26Å
409K94Very high91Very high45 Ų4568.8 Ų68.820%0.19634%0.337CS..G310 helixtrans-56.9-42.8179.7-67.3-174.2-175.3-172.10112.3F334 D411 L412 L416 E420F334-K409 HydrophobicContact CD1-CG 4Å; F334-K409 HydrophobicContact CD2-CG 3.91Å; F334-K409 HydrophobicContact CE1-CG 4.01Å; F334-K409 HydrophobicContact CE2-CG 3.91Å; F334-K409 HydrophobicContact CG-CG 3.95Å; F334-K409 HydrophobicContact CZ-CG 3.96Å; K409-D411 PolarHBondContact O-N 2.96Å; K409-L412 WeakPolarHBondContact O-CB 3.46Å; K409-L412 PolarHBondContact O-N 3.1Å; K409-L416 HydrophobicContact CB-CB 4.21Å; K409-L416 HydrophobicContact CB-CD1 4.12Å; K409-L416 HydrophobicContact CD-CB 4.45Å; K409-L416 HydrophobicContact CG-CD1 4.35Å; K409-E420 WeakPolarHBondContact CD-OE1 3.35Å; K409-E420 IonicContact NZ-OE1 2.64Å; K409-E420 PolarHBondContact NZ-OE1 3.45Å; K409-E420 IonicContact NZ-OE2 2.68Å; K409-E420 PolarHBondContact NZ-OE2 3.35Å
410K93.7Very high91.2Very high132 Ų13269.3 Ų69.357%0.57434%0.34SS*.G310 helixtrans-56.3-29.1174.877.6-170.4-163.5-160.60115Q408 L412 E413Q408-K410 VanDerWaalsContact C-N 3.3Å; Q408-K410 HydrophobicContact CB-CG 4.12Å; Q408-K410 PolarHBondContact O-N 3.08Å; K410-L412 PolarHBondContact O-N 2.7Å; K410-E413 PolarHBondContact O-N 2.97Å
411D92.9Very high91.5Very high33 Ų3370.2 Ų70.218%0.17635%0.346CS..G310 helixtrans-70.9-16.6-179.6-57.1-57.8000112.3R315 V319 L407 Q408 K409 E413R315-D411 VanDerWaalsContact CZ-CG 3.47Å; R315-D411 IonicContact CZ-OD1 3.62Å; R315-D411 IonicContact CZ-OD2 3.14Å; R315-D411 IonicContact NE-OD2 3.95Å; R315-D411 IonicContact NH1-OD2 3.51Å; R315-D411 IonicContact NH2-OD1 2.73Å; R315-D411 PolarHBondContact NH2-OD1 2.91Å; R315-D411 IonicContact NH2-OD2 2.61Å; R315-D411 PolarHBondContact NH2-OD2 2.87Å; V319-D411 WeakPolarHBondContact CG1-O 3.37Å; V319-D411 HydrophobicContact CG2-CB 4.14Å; L407-D411 HydrophobicContact CD1-CB 4.13Å; Q408-D411 WeakPolarHBondContact CA-OD2 3.5Å; Q408-D411 VanDerWaalsContact CB-OD2 3.26Å; Q408-D411 WeakPolarHBondContact CB-OD2 3.36Å; Q408-D411 PolarHBondContact N-OD2 3.4Å; Q408-D411 WeakPolarHBondContact O-CB 3.45Å; Q408-D411 PolarHBondContact O-N 3.26Å; K409-D411 PolarHBondContact O-N 2.96Å; D411-E413 VanDerWaalsContact C-N 3.3Å
412L93.5Very high91.7Very high0 Ų068.1 Ų68.10%034%0.344CS..G310 helixtrans-79.6-13.4179.1-56.5-174.5000112.1V319 R323 L326 F334 L407 K409 K410 L414 L416V319-L412 HydrophobicContact CG1-CD2 4.38Å; R323-L412 WeakPolarHBondContact CD-O 3.37Å; R323-L412 HydrophobicContact CG-CB 4.03Å; R323-L412 HydrophobicContact CG-CD2 4.1Å; R323-L412 WeakPolarHBondContact CG-O 3.32Å; R323-L412 PolarHBondContact NH1-O 3.07Å; L326-L412 HydrophobicContact CD1-CD1 3.54Å; F334-L412 HydrophobicContact CD2-CD1 3.93Å; F334-L412 HydrophobicContact CE2-CD1 3.82Å; L407-L412 HydrophobicContact CD1-CD2 4.13Å; L407-L412 HydrophobicContact CD2-CD2 4.28Å; L407-L412 HydrophobicContact CG-CD2 4.46Å; K409-L412 WeakPolarHBondContact O-CB 3.46Å; K409-L412 PolarHBondContact O-N 3.1Å; K410-L412 PolarHBondContact O-N 2.7Å; L412-L414 HydrophobicContact CB-CD1 4.31Å; L412-L414 HydrophobicContact CB-CG 4.36Å; L412-L414 PolarHBondContact O-N 3.31Å; L412-L416 HydrophobicContact CD1-CD1 3.88Å
413E93.3Very high91.8Very high159 Ų15968.7 Ų68.774%0.74335%0.349SS*.SBendtrans52.144.4-179.3-58.7177.8-178.300112.1R323 K410 D411R323-E413 PolarHBondContact NH1-O 3.47Å; K410-E413 PolarHBondContact O-N 2.97Å; D411-E413 VanDerWaalsContact C-N 3.3Å
414L92.6Very high92.1Very high14 Ų1470.1 Ų70.17%0.07335%0.35CS..SBendtrans-122.311.6176.7-66.1175.4000112F200 R323 L326 L412 L416F200-L414 HydrophobicContact CB-CD2 4.08Å; F200-L414 HydrophobicContact CD1-CD2 4.1Å; F200-L414 HydrophobicContact CD2-CD1 3.87Å; F200-L414 HydrophobicContact CD2-CD2 4.18Å; F200-L414 HydrophobicContact CD2-CG 4.48Å; F200-L414 HydrophobicContact CE1-CB 4.38Å; F200-L414 HydrophobicContact CE2-CB 4.46Å; F200-L414 HydrophobicContact CE2-CD1 4.01Å; F200-L414 HydrophobicContact CG-CD1 4.4Å; F200-L414 HydrophobicContact CG-CD2 3.85Å; F200-L414 HydrophobicContact CZ-CB 4.28Å; R323-L414 HydrophobicContact CG-CD1 4.33Å; L326-L414 HydrophobicContact CB-CD1 4.3Å; L326-L414 HydrophobicContact CD1-CD1 4.37Å; L412-L414 HydrophobicContact CB-CD1 4.31Å; L412-L414 HydrophobicContact CB-CG 4.36Å; L412-L414 PolarHBondContact O-N 3.31Å; L414-L416 HydrophobicContact CB-CD2 3.77Å; L414-L416 HydrophobicContact CB-CG 3.96Å; L414-L416 PolarHBondContact O-N 3.32Å
415E93.3Very high92.5Very high135 Ų13567.3 Ų67.363%0.63134%0.339SS*.  trans55.527.8177.7-63.6165.4-131.200114D417 E418 L419E415-D417 VanDerWaalsContact C-N 3.33Å; E415-D417 PolarHBondContact O-N 3.44Å; E415-E418 WeakPolarHBondContact O-CB 3.46Å; E415-E418 PolarHBondContact O-N 3.27Å; E415-E418 VanDerWaalsContact O-N 3.08Å; E415-L419 WeakPolarHBondContact O-CG 3.34Å; E415-L419 PolarHBondContact O-N 3.42Å
416L93.6Very high92.7Very high2 Ų269 Ų691%0.0135%0.349CS..Hα-helixtrans-58.7-40.9-173.3-55.5178.6000113.1F200 Y205 L326 K409 L412 L414 E418 L419 E420F200-L416 HydrophobicContact CE2-CD2 4.04Å; F200-L416 HydrophobicContact CZ-CD2 3.7Å; Y205-L416 HydrophobicContact CD1-CD2 4.14Å; Y205-L416 HydrophobicContact CE1-CB 4.48Å; Y205-L416 HydrophobicContact CE1-CD2 3.86Å; Y205-L416 HydrophobicContact CE2-CD2 4.24Å; Y205-L416 HydrophobicContact CG-CD2 4.45Å; L326-L416 HydrophobicContact CD1-CD1 3.42Å; L326-L416 VanDerWaalsContact CD1-CD1 3.42Å; L326-L416 HydrophobicContact CD1-CD2 4.28Å; L326-L416 HydrophobicContact CD1-CG 4.49Å; K409-L416 HydrophobicContact CB-CB 4.21Å; K409-L416 HydrophobicContact CB-CD1 4.12Å; K409-L416 HydrophobicContact CD-CB 4.45Å; K409-L416 HydrophobicContact CG-CD1 4.35Å; L412-L416 HydrophobicContact CD1-CD1 3.88Å; L414-L416 HydrophobicContact CB-CD2 3.77Å; L414-L416 HydrophobicContact CB-CG 3.96Å; L414-L416 PolarHBondContact O-N 3.32Å; L416-E418 VanDerWaalsContact C-N 3.25Å; L416-E418 PolarHBondContact O-N 3.07Å; L416-L419 PolarHBondContact O-N 3.28Å; L416-E420 WeakPolarHBondContact O-CB 3.4Å; L416-E420 WeakPolarHBondContact O-CG 3.43Å; L416-E420 PolarHBondContact O-N 3.48Å
417D93.5Very high93Very high77 Ų7765.7 Ų65.741%0.41233%0.334SS..Hα-helixtrans-63.6-35.1-179.5-64.7-40000111.3E415 S421E415-D417 VanDerWaalsContact C-N 3.33Å; E415-D417 PolarHBondContact O-N 3.44Å; D417-S421 WeakPolarHBondContact O-CB 3.48Å; D417-S421 PolarHBondContact O-N 3.37Å; D417-S421 VanDerWaalsContact O-N 3.15Å; D417-S421 PolarHBondContact O-OG 3.47Å
418E93.8Very high93Very high133 Ų13369.7 Ų69.762%0.62135%0.352SS*.Hα-helixtrans-73.8-44.6177.5-60.4-179.6-162.400110.8E415 L416 E420 S421 A422E415-E418 WeakPolarHBondContact O-CB 3.46Å; E415-E418 PolarHBondContact O-N 3.27Å; E415-E418 VanDerWaalsContact O-N 3.08Å; L416-E418 VanDerWaalsContact C-N 3.25Å; L416-E418 PolarHBondContact O-N 3.07Å; E418-E420 PolarHBondContact O-N 2.9Å; E418-S421 PolarHBondContact O-N 3.05Å; E418-A422 WeakPolarHBondContact O-CB 3.24Å; E418-A422 PolarHBondContact O-N 3.3Å
419L93.5Very high92.9Very high46 Ų4671.9 Ų71.924%0.24136%0.362CS..Hα-helixtrans-58.4-47.5175.6-70.5173.3000112.1F200 L206 E415 L416 A422 A423F200-L419 HydrophobicContact CE1-CD1 3.91Å; F200-L419 HydrophobicContact CZ-CD1 3.95Å; L206-L419 HydrophobicContact CD2-CB 4.43Å; E415-L419 WeakPolarHBondContact O-CG 3.34Å; E415-L419 PolarHBondContact O-N 3.42Å; L416-L419 PolarHBondContact O-N 3.28Å; L419-A422 PolarHBondContact O-N 3.06Å; L419-A423 WeakPolarHBondContact O-CB 3.2Å; L419-A423 PolarHBondContact O-N 2.68Å
420E95.2Very high92.6Very high12 Ų1276 Ų766%0.05638%0.382CS..Hα-helixtrans-65.1-40.2179.6-71.7179.7-151.300112.3Y205 L209 K409 L416 E418 R424Y205-E420 HydrophobicContact CE1-CG 4.11Å; Y205-E420 PolarHBondContact OH-OE1 2.98Å; L209-E420 HydrophobicContact CD2-CB 4.42Å; L209-E420 HydrophobicContact CD2-CG 3.57Å; K409-E420 WeakPolarHBondContact CD-OE1 3.35Å; K409-E420 IonicContact NZ-OE1 2.64Å; K409-E420 PolarHBondContact NZ-OE1 3.45Å; K409-E420 IonicContact NZ-OE2 2.68Å; K409-E420 PolarHBondContact NZ-OE2 3.35Å; L416-E420 WeakPolarHBondContact O-CB 3.4Å; L416-E420 WeakPolarHBondContact O-CG 3.43Å; L416-E420 PolarHBondContact O-N 3.48Å; E418-E420 PolarHBondContact O-N 2.9Å; E420-R424 VanDerWaalsContact O-CG 3.24Å; E420-R424 WeakPolarHBondContact O-CG 3.39Å; E420-R424 PolarHBondContact O-N 3.17Å
421S94.4Very high92.2Very high69 Ų6975.5 Ų75.548%0.48338%0.382SS..Hα-helixtrans-66.6-45.3178.3-58.90000110.9D417 E418 R424 I425D417-S421 WeakPolarHBondContact O-CB 3.48Å; D417-S421 PolarHBondContact O-N 3.37Å; D417-S421 VanDerWaalsContact O-N 3.15Å; D417-S421 PolarHBondContact O-OG 3.47Å; E418-S421 PolarHBondContact O-N 3.05Å; S421-R424 PolarHBondContact O-N 3.04Å; S421-I425 WeakPolarHBondContact O-CG1 3.47Å; S421-I425 PolarHBondContact O-N 3.3Å
422A93.3Very high91.8Very high55 Ų5579.4 Ų79.446%0.45540%0.399SS..Hα-helixtrans-61.6-44.5177.200000111.8E418 L419 R424 I425 V426E418-A422 WeakPolarHBondContact O-CB 3.24Å; E418-A422 PolarHBondContact O-N 3.3Å; L419-A422 PolarHBondContact O-N 3.06Å; A422-R424 PolarHBondContact O-N 3.27Å; A422-I425 PolarHBondContact O-N 2.66Å; A422-V426 PolarHBondContact O-N 3.28Å
423A92.6Very high91.2Very high14 Ų1482.2 Ų82.212%0.11642%0.422CS..Hα-helixtrans-66.2-38.3-179.900000112.7L206 F210 L419 I425 V426 V427L206-A423 HydrophobicContact CD1-CB 4.07Å; L206-A423 HydrophobicContact CD2-CB 3.85Å; F210-A423 HydrophobicContact CE2-CB 3.51Å; F210-A423 HydrophobicContact CZ-CB 3.69Å; L419-A423 WeakPolarHBondContact O-CB 3.2Å; L419-A423 PolarHBondContact O-N 2.68Å; A423-I425 VanDerWaalsContact C-N 3.35Å; A423-I425 PolarHBondContact O-N 2.64Å; A423-V426 PolarHBondContact O-N 3.35Å; A423-V427 WeakPolarHBondContact O-CG2 3.34Å; A423-V427 PolarHBondContact O-N 2.76Å; A423-V427 VanDerWaalsContact O-N 3.07Å
424R93.4Very high90.3Very high139 Ų13977.7 Ų77.753%0.52541%0.408SS..Hα-helixtrans-62.1-40.5175.3-74.3173.1-169-144.52.4112.6F210 E420 S421 A422 V426 V427 E428F210-R424 HydrophobicContact CZ-CG 4.35Å; E420-R424 VanDerWaalsContact O-CG 3.24Å; E420-R424 WeakPolarHBondContact O-CG 3.39Å; E420-R424 PolarHBondContact O-N 3.17Å; S421-R424 PolarHBondContact O-N 3.04Å; A422-R424 PolarHBondContact O-N 3.27Å; R424-V426 VanDerWaalsContact C-N 3.3Å; R424-V426 PolarHBondContact O-N 3.05Å; R424-V427 PolarHBondContact O-N 2.61Å; R424-E428 WeakPolarHBondContact O-CB 3.42Å; R424-E428 VanDerWaalsContact O-CG 3.31Å; R424-E428 WeakPolarHBondContact O-CG 3.32Å; R424-E428 PolarHBondContact O-N 3.44Å
425I93Very high89.3Confident91 Ų9181.2 Ų81.247%0.46743%0.431SS..Hα-helixtrans-59.6-44.5176.8-66.6164.2000110.2S421 A422 A423 E428 E429S421-I425 WeakPolarHBondContact O-CG1 3.47Å; S421-I425 PolarHBondContact O-N 3.3Å; A422-I425 PolarHBondContact O-N 2.66Å; A423-I425 VanDerWaalsContact C-N 3.35Å; A423-I425 PolarHBondContact O-N 2.64Å; I425-E428 PolarHBondContact O-N 3.43Å; I425-E429 HydrophobicContact CG2-CG 4.48Å; I425-E429 WeakPolarHBondContact O-CG 3.26Å; I425-E429 PolarHBondContact O-N 3.32Å
426V90.4Very high87.7Confident75 Ų7581.6 Ų81.646%0.45543%0.432SS..Hα-helixtrans-63.1-44.7178.8176.40000111.7A422 A423 R424 E428 E429 E430A422-V426 PolarHBondContact O-N 3.28Å; A423-V426 PolarHBondContact O-N 3.35Å; R424-V426 VanDerWaalsContact C-N 3.3Å; R424-V426 PolarHBondContact O-N 3.05Å; V426-E428 VanDerWaalsContact C-N 3.35Å; V426-E428 PolarHBondContact O-N 2.67Å; V426-E429 PolarHBondContact O-N 2.82Å; V426-E430 WeakPolarHBondContact O-CG 3.37Å; V426-E430 PolarHBondContact O-N 2.74Å
427V89.6Confident86.1Confident53 Ų5384.9 Ų84.932%0.32146%0.455SS..Hα-helixtrans-62-44177.3173.60000111F210 A423 R424 E429 E430 E431F210-V427 HydrophobicContact CD1-CG2 4.47Å; F210-V427 HydrophobicContact CE1-CG2 4.05Å; F210-V427 HydrophobicContact CZ-CG2 4.31Å; A423-V427 WeakPolarHBondContact O-CG2 3.34Å; A423-V427 PolarHBondContact O-N 2.76Å; A423-V427 VanDerWaalsContact O-N 3.07Å; R424-V427 PolarHBondContact O-N 2.61Å; V427-E429 VanDerWaalsContact C-N 3.32Å; V427-E429 PolarHBondContact O-N 2.62Å; V427-E430 PolarHBondContact O-N 3.23Å; V427-E431 WeakPolarHBondContact O-CG 3.41Å; V427-E431 PolarHBondContact O-N 2.93Å
428E90.2Very high84.3Confident107 Ų10785 Ų8550%0.546%0.463SS..Hα-helixtrans-62.4-38.1176.8-73174-166.700112.1R424 I425 V426 Q432R424-E428 WeakPolarHBondContact O-CB 3.42Å; R424-E428 VanDerWaalsContact O-CG 3.31Å; R424-E428 WeakPolarHBondContact O-CG 3.32Å; R424-E428 PolarHBondContact O-N 3.44Å; I425-E428 PolarHBondContact O-N 3.43Å; V426-E428 VanDerWaalsContact C-N 3.35Å; V426-E428 PolarHBondContact O-N 2.67Å; E428-Q432 WeakPolarHBondContact O-CB 3.45Å; E428-Q432 WeakPolarHBondContact O-CG 3.37Å; E428-Q432 PolarHBondContact O-N 2.9Å
429E90.8Very high82.5Confident118 Ų11883 Ų8355%0.55146%0.463SS*.Hα-helixtrans-67.4-40.7175.3-74.9178.3179.300112.4I425 V426 V427 Q432 A433I425-E429 HydrophobicContact CG2-CG 4.48Å; I425-E429 WeakPolarHBondContact O-CG 3.26Å; I425-E429 PolarHBondContact O-N 3.32Å; V426-E429 PolarHBondContact O-N 2.82Å; V427-E429 VanDerWaalsContact C-N 3.32Å; V427-E429 PolarHBondContact O-N 2.62Å; E429-Q432 PolarHBondContact O-N 3.36Å; E429-A433 WeakPolarHBondContact O-CB 3.22Å; E429-A433 PolarHBondContact O-N 3.05Å
430E88.2Confident80.4Confident131 Ų13185.1 Ų85.161%0.61248%0.482SS*.Hα-helixtrans-67.5-38.6176.5-72.6-174.6166.200112.4V426 V427 A433 S434V426-E430 WeakPolarHBondContact O-CG 3.37Å; V426-E430 PolarHBondContact O-N 2.74Å; V427-E430 PolarHBondContact O-N 3.23Å; E430-A433 PolarHBondContact O-N 3.06Å; E430-S434 WeakPolarHBondContact O-CB 3.45Å; E430-S434 PolarHBondContact O-N 2.96Å; E430-S434 PolarHBondContact O-OG 3.48Å
431E86.3Confident78.1Confident122 Ų12292 Ų9257%0.5752%0.519SS*.Hα-helixtrans-64.8-38.6173.2-74.4-175.1173.400111.9V427 S434 T435V427-E431 WeakPolarHBondContact O-CG 3.41Å; V427-E431 PolarHBondContact O-N 2.93Å; E431-S434 WeakPolarHBondContact CA-OG 3.36Å; E431-S434 PolarHBondContact O-OG 3.34Å; E431-T435 PolarHBondContact O-N 2.93Å; E431-T435 VanDerWaalsContact O-N 3.08Å; E431-T435 PolarHBondContact O-OG1 3.02Å
432Q83.6Confident75.8Confident115 Ų11593.8 Ų93.854%0.53753%0.531SS..Hα-helixtrans-68.3-44.4175-73.8171.833.700111.9E428 E429 S434 T435 E436E428-Q432 WeakPolarHBondContact O-CB 3.45Å; E428-Q432 WeakPolarHBondContact O-CG 3.37Å; E428-Q432 PolarHBondContact O-N 2.9Å; E429-Q432 PolarHBondContact O-N 3.36Å; Q432-S434 VanDerWaalsContact C-N 3.32Å; Q432-S434 PolarHBondContact O-N 3.26Å; Q432-T435 WeakPolarHBondContact CA-OG1 3.37Å; Q432-T435 PolarHBondContact O-N 3.28Å; Q432-T435 PolarHBondContact O-OG1 3.44Å; Q432-E436 WeakPolarHBondContact O-CG 3.31Å; Q432-E436 PolarHBondContact O-N 3.34Å
433A80Confident73.7Confident59 Ų5996.7 Ų96.749%0.48855%0.549SS..Hα-helixtrans-65-34.6177.400000112.9E429 E430 S437E429-A433 WeakPolarHBondContact O-CB 3.22Å; E429-A433 PolarHBondContact O-N 3.05Å; E430-A433 PolarHBondContact O-N 3.06Å; A433-S437 WeakPolarHBondContact O-CB 3.46Å; A433-S437 PolarHBondContact O-N 3.49Å; A433-S437 PolarHBondContact O-OG 3.22Å
434S75.3Confident71.3Confident64 Ų64100.9 Ų100.945%0.44858%0.577SS.*Hα-helixtrans-72.9-31.7175.456.20000113.1E430 E431 Q432 S437 S438E430-S434 WeakPolarHBondContact O-CB 3.45Å; E430-S434 PolarHBondContact O-N 2.96Å; E430-S434 PolarHBondContact O-OG 3.48Å; E431-S434 WeakPolarHBondContact CA-OG 3.36Å; E431-S434 PolarHBondContact O-OG 3.34Å; Q432-S434 VanDerWaalsContact C-N 3.32Å; Q432-S434 PolarHBondContact O-N 3.26Å; S434-S437 WeakPolarHBondContact CA-OG 3.36Å; S434-S437 PolarHBondContact O-OG 2.92Å; S434-S437 VanDerWaalsContact O-OG 3.11Å; S434-S438 WeakPolarHBondContact O-CB 3.34Å; S434-S438 PolarHBondContact O-N 3.34Å; S434-S438 PolarHBondContact O-OG 2.94Å
435T70.6Confident69Low89 Ų89102.3 Ų102.355%0.54659%0.589SS.*Hα-helixtrans-74.8-34.817234.10000113E431 Q432 S438 S439E431-T435 PolarHBondContact O-N 2.93Å; E431-T435 VanDerWaalsContact O-N 3.08Å; E431-T435 PolarHBondContact O-OG1 3.02Å; Q432-T435 WeakPolarHBondContact CA-OG1 3.37Å; Q432-T435 PolarHBondContact O-N 3.28Å; Q432-T435 PolarHBondContact O-OG1 3.44Å; T435-S438 WeakPolarHBondContact CA-OG 3.49Å; T435-S438 PolarHBondContact O-OG 3.15Å; T435-S438 VanDerWaalsContact O-OG 3.1Å; T435-S439 PolarHBondContact O-N 2.69Å
436E61.3Low66.3Low143 Ų143103.8 Ų103.867%0.66861%0.608SS**Hα-helixtrans-68.5-41.1174-72.7-170.817100112.3Q432 S439Q432-E436 WeakPolarHBondContact O-CG 3.31Å; Q432-E436 PolarHBondContact O-N 3.34Å; E436-S439 PolarHBondContact O-N 3Å; E436-S439 PolarHBondContact O-OG 3.27Å
437S58.7Low63.9Low70 Ų70108.6 Ų108.649%0.4963%0.626SS.*Hα-helixtrans-67.8-36177.750.60000113.4A433 S434 S439 S440A433-S437 WeakPolarHBondContact O-CB 3.46Å; A433-S437 PolarHBondContact O-N 3.49Å; A433-S437 PolarHBondContact O-OG 3.22Å; S434-S437 WeakPolarHBondContact CA-OG 3.36Å; S434-S437 PolarHBondContact O-OG 2.92Å; S434-S437 VanDerWaalsContact O-OG 3.11Å; S437-S439 VanDerWaalsContact C-N 3.3Å; S437-S439 PolarHBondContact O-N 3.08Å; S437-S440 PolarHBondContact O-N 2.95Å; S437-S440 PolarHBondContact O-OG 2.73Å
438S57.2Low61.3Low81 Ų81114.9 Ų114.957%0.56665%0.652SS**Hα-helixtrans-72.8-18.2175.653.70000114.3S434 T435 S440S434-S438 WeakPolarHBondContact O-CB 3.34Å; S434-S438 PolarHBondContact O-N 3.34Å; S434-S438 PolarHBondContact O-OG 2.94Å; T435-S438 WeakPolarHBondContact CA-OG 3.49Å; T435-S438 PolarHBondContact O-OG 3.15Å; T435-S438 VanDerWaalsContact O-OG 3.1Å; S438-S440 VanDerWaalsContact C-N 3.32Å
439S54.4Low58.9Low91 Ų91114.6 Ų114.664%0.63666%0.661SS**THydrogen-bonded Turntrans-79.6-12174.275.60000114.1T435 E436 S437T435-S439 PolarHBondContact O-N 2.69Å; E436-S439 PolarHBondContact O-N 3Å; E436-S439 PolarHBondContact O-OG 3.27Å; S437-S439 VanDerWaalsContact C-N 3.3Å; S437-S439 PolarHBondContact O-N 3.08Å
440S50.7Low56.3Low90 Ų90117.4 Ų117.463%0.62967%0.674SS**SBendtrans-93-7.7-176.3680000115.4S437 S438S437-S440 PolarHBondContact O-N 2.95Å; S437-S440 PolarHBondContact O-OG 2.73Å; S438-S440 VanDerWaalsContact C-N 3.32Å
441D45.6Very low53.8Low155 Ų155115 Ų11583%0.82968%0.677SS**SBendtrans-107.78.4-176.5-106.9-17.8000114.7
442S47.2Very low51.4Low107 Ų107117.1 Ų117.175%0.74869%0.687SS**  trans-108.264.5177.2-1520000111.6
443S49.3Very low49Very low117 Ų117118.8 Ų118.882%0.81869%0.694SS**  trans-159.377.1166.8-720000111
444S41.4Very low46.8Very low102 Ų102124.3 Ų124.371%0.71371%0.71SS**SBendtrans-160.7118.6146.7-150.60000112.2
445E45.9Very low44.6Very low168 Ų168124.5 Ų124.579%0.78572%0.722SS**  trans62.9100.9158.4-40.9-40.511100121.2
446S34.8Very low42.8Very low123 Ų123126.6 Ų126.686%0.8674%0.739SS**  trans-156.592.6137.149.80000111.2
447E41Very low41.4Very low176 Ų176125 Ų12582%0.82274%0.744SS**  trans-114.6124.6155.1-78.9-98.1159.200107.9
448E34.6Very low40.2Very low185 Ų185128.2 Ų128.286%0.86476%0.755SS**  trans132.5128.4142.4-62.1-151.6-174.900114.6
449S40.7Very low39.3Very low101 Ų101128 Ų12871%0.70675%0.754SS**  trans-111.3162.6-17247.90000109.2
450E36.1Very low38.5Very low176 Ų176131.8 Ų131.882%0.82276%0.759SS**  trans163.2108.6136.1-78.8-89.6156.700110.6
451A35.5Very low37.7Very low80 Ų80135.8 Ų135.866%0.66177%0.768SS**  45.3124.6122.400000123.9
452E36.5Very low36.8Very low167 Ų167131.9 Ų131.978%0.7876%0.764SS**  trans100.3127.6132.5-63.3-82.3161.500122.3
453E32.7Very low36Very low150 Ų150130.8 Ų130.870%0.70177%0.77SS**  trans42.5126.7153.8-76.2-175.5165.300122.5
454Q33.5Very low34.9Very low175 Ų175128.4 Ų128.482%0.81876%0.764SS**  163.3130.994.8-152.5117.151.200112.5
455G28.3Very low34.4Very low68 Ų68132.5 Ų132.570%0.70177%0.772SS**  trans88.592.2130.100000121.4
456C32.8Very low33.6Very low133 Ų133130 Ų13090%0.89977%0.768SS**  71.5135.5120.5-1440000122.6
457S33.4Very low33.4Very low110 Ų110129.4 Ų129.477%0.76976%0.763SS**  trans79.3135.6144.2160.70000116.9
458D31.8Very low32.9Very low137 Ų137129.5 Ų129.573%0.73376%0.76SS**  cis-178.1167.5-5.5-171.86.2000104.3
459S38.8Very low32.5Very low76 Ų76127.4 Ų127.453%0.53176%0.755SS.*  trans98.799151.6-53.60000119.6
460K38.2Very low31.9Very low172 Ų172128 Ų12875%0.74876%0.759SS**  69.1144.8115.4-68.4169.5-178.9-177.50116.6
461Q33.5Very low32.2Very low173 Ų173125 Ų12581%0.80876%0.755SS**  cis-172.3143.52.5-116.2164.3-6200100.8
462G27.7Very low31.8Very low73 Ų73127 Ų12775%0.75376%0.764SS**  cis123.8130.936.100000107.9
463G28.6Very low31.4Very low85 Ų85127.8 Ų127.888%0.87677%0.768SS**  trans76132.1161.100000115.8
464G27.8Very low31.5Very low67 Ų67126.1 Ų126.169%0.69177%0.77SS**  cis110.7122.223.200000110.3
465E30.9Very low31.2Very low187 Ų187123.1 Ų123.187%0.87477%0.768SS**  trans73.3149.4155.8-53.9-175.5143.200117.6
466T29.1Very low31.1Very low116 Ų116124.9 Ų124.971%0.71277%0.77SS**  cis-170.2165.8-18.334.80000106.9
467C30Very low31Very low110 Ų110124.1 Ų124.174%0.74377%0.766SS**  trans84.1118.3146.9-690000123.2
468K30Very low30.9Very low179 Ų179124.3 Ų124.378%0.77877%0.765SS**  104.4120.2119.4-88.9-173.9171.2-176.40122.4
469D27.3Very low30.6Very low141 Ų141122.7 Ų122.775%0.75476%0.764SS**  trans70.2126.3135.4-70.5-31.7000123
470S28.1Very low30Very low112 Ų112124.7 Ų124.778%0.78378%0.778SS**  trans-64.4-168.8176.3-33.50000115
471P41.7Very low29.7Very low115 Ų115122.3 Ų122.375%0.74778%0.78SS**  cis-135.6176.4-11.137.4-18.3000114.5
472S27.9Very low29.4Very low121 Ų121121.4 Ų121.485%0.84678%0.779SS**  trans156.8124.1136.8-67.90000112.7
473E27Very low29.4Very low183 Ų183123.8 Ų123.886%0.85578%0.782SS**  trans-75.5-171.1167-57-167.5149.300112.3
474P34.8Very low29.2Very low115 Ų115126 Ų12675%0.74778%0.778SS**  cis-125.2159.1-3520.20.2000111.1
475S26.7Very low29Very low112 Ų112130.9 Ų130.978%0.78379%0.787SS**  trans-161.2127.9151.756.20000113.8
476S27.7Very low28.8Very low106 Ų106126.6 Ų126.674%0.74178%0.778SS**  trans50.1113.4140.858.70000120.3
477S29.8Very low28.5Very low116 Ų116126.8 Ų126.881%0.81178%0.784SS**  trans-47.5155.2152.3-34.80000112.2
478P32Very low28.2Very low115 Ų115129.5 Ų129.575%0.74779%0.789SS**  -147.3140.594.335.8-17.7000116.2
479S24Very low27.9Very low102 Ų102125 Ų12571%0.71379%0.786SS**  trans30.2132.2137.963.30000122.3
480S27.4Very low27.6Very low118 Ų118126.7 Ų126.783%0.82579%0.794SS**  trans-178.5162.4130.6-790000109.6
481P30.8Very low27.5Very low122 Ų122126.7 Ų126.779%0.79279%0.794SS**  -124.1160.7-94.119.75.4000114.3
482I28.3Very low27Very low155 Ų155126.7 Ų126.780%0.79579%0.794SS**PPolyproline II helixtrans-85.5136.6166-62.3170.9000108.6
483P26.5Very low26.8Very low123 Ų123127 Ų12780%0.79980%0.796SS**PPolyproline II helixtrans-77.3130.7172.9510000111.6
484V24.7Very low26.8Very low132 Ų132124.8 Ų124.880%0.880%0.795SS**PPolyproline II helixtrans-75.2137.7173.1175.90000110.3
485L24.6Very low26.3Very low168 Ų168126.2 Ų126.288%0.8880%0.796SS**  trans-125.698.5153.3-107157.3000109.6
486S25.7Very low26.2Very low97 Ų97131.5 Ų131.568%0.67880%0.799SS**  trans24108149.3-51.70000119.9
487S23.2Very low26.1Very low121 Ų121136 Ų13685%0.84681%0.805SS**PPolyproline II helixtrans-74.6134152.2380000111.2
488I24.9Very low25.8Very low166 Ų166135.4 Ų135.485%0.85181%0.808SS**PPolyproline II helixtrans-103.7116156.2-69.5176000106.4
489A22Very low25.4Very low86 Ų86133.2 Ų133.271%0.71181%0.806SS**PPolyproline II helixtrans-89.6135172.700000110.1
490L22.8Very low25.5Very low175 Ų175134.5 Ų134.592%0.91681%0.809SS**  trans-144.5125.5146.2-82.4176000108.6
491S24Very low25.4Very low113 Ų113137.7 Ų137.779%0.7981%0.811SS**  trans-104.5179.217972.70000109.5
492P32.9Very low25.3Very low114 Ų114137.1 Ų137.174%0.7481%0.81SS**  -108.5165.3-125.928.6-8.9000113.5
493S23.2Very low25.6Very low128 Ų128134.7 Ų134.790%0.89581%0.807SS**  trans-149.9130.3161.6-72.70000111.6
494V26.7Very low26Very low137 Ų137135.5 Ų135.583%0.8380%0.804SS**  trans-81.3130.8-178.9170.40000110.2
495N25.3Very low26.6Very low145 Ų145133.1 Ų133.178%0.77579%0.793SS**  -172.8154.1118.7-125.8-23.8000115
496R24.6Very low27.1Very low223 Ų223132 Ų13284%0.84278%0.784SS**  trans-61.5147.4-174-65.1164.4166.4163.6-4.4115.4
497K24.5Very low27.4Very low199 Ų199129.5 Ų129.587%0.86577%0.773SS**  141.7121104.5-128176.9-174.4-178.40113.5
498A24.1Very low27.9Very low105 Ų105130.4 Ų130.487%0.86876%0.763SS**  trans56.2122.9144.700000122.2
499G23.4Very low28.4Very low69 Ų69131.2 Ų131.271%0.71176%0.756SS**  trans133.9106.6136.600000118.4
500V26.2Very low29.2Very low128 Ų128132.4 Ų132.478%0.77675%0.747SS**  trans81.2118.5136.6-1750000120.4
501E25.9Very low29.7Very low185 Ų185129.6 Ų129.686%0.86473%0.732SS**  trans63.5114147.4-68.3166.2-170.300121.6
502S28.4Very low30.4Very low111 Ų111130 Ų13078%0.77672%0.724SS**  trans-101.9123.1166.252.80000111.1
503S34Very low30.8Very low104 Ų104131.1 Ų131.173%0.72772%0.719SS**  trans-91.711.2-179.149.20000114.8
504D35Very low31.6Very low139 Ų139129.8 Ų129.874%0.74370%0.702SS**THydrogen-bonded Turntrans-88.6-8.6-174.8-85.9-19.9000115Q506D504-Q506 VanDerWaalsContact C-N 3.32Å; D504-Q506 PolarHBondContact O-N 3.42Å
505S37.4Very low32.1Very low82 Ų82128.6 Ų128.657%0.57369%0.691SS**Hα-helixtrans-76.5-15.1179.5162.10000114
506Q35.5Very low32.7Very low146 Ų146123.7 Ų123.768%0.68267%0.674SS**Hα-helixtrans-88.7-32.7-169-133.1169.43.300112.9D504 R509 Q510D504-Q506 VanDerWaalsContact C-N 3.32Å; D504-Q506 PolarHBondContact O-N 3.42Å; Q506-R509 PolarHBondContact O-N 3.46Å; Q506-Q510 PolarHBondContact O-N 3.42Å
507G32.1Very low33.6Very low43 Ų43121.7 Ų121.744%0.44367%0.666SS.*Hα-helixtrans-66.1-38.6178.500000113.7R509 Q510 L511G507-R509 PolarHBondContact O-N 3.49Å; G507-Q510 PolarHBondContact O-N 3.43Å; G507-L511 PolarHBondContact O-N 3.45Å
508H32.3Very low34.2Very low140 Ų140118.6 Ų118.665%0.64866%0.655SS**Hα-helixtrans-71.8-29.5-179-73.7-101.7000113.1I512H508-I512 WeakPolarHBondContact O-CD1 3.3Å; H508-I512 VanDerWaalsContact O-CG1 3.3Å; H508-I512 WeakPolarHBondContact O-CG1 3.37Å; H508-I512 PolarHBondContact O-N 3.49Å
509R36.3Very low34.9Very low184 Ų184119.5 Ų119.569%0.69464%0.643SS**Hα-helixtrans-74.9-30.1176.1-87.4-172.6176.8-179.41113.3Q506 G507 Q513Q506-R509 PolarHBondContact O-N 3.46Å; G507-R509 PolarHBondContact O-N 3.49Å; R509-Q513 PolarHBondContact O-N 3.4Å
510Q37.9Very low35.9Very low111 Ų111120.3 Ų120.352%0.51963%0.634SS.*Hα-helixtrans-70-43.9178.5-136.793.838.600110.8Q506 G507 I512 Q513 D514Q506-Q510 PolarHBondContact O-N 3.42Å; G507-Q510 PolarHBondContact O-N 3.43Å; Q510-I512 PolarHBondContact O-N 3.32Å; Q510-Q513 PolarHBondContact O-N 3.48Å; Q510-D514 PolarHBondContact O-N 3.12Å
511L34.3Very low36.6Very low115 Ų115120.2 Ų120.260%0.60263%0.625SS**Hα-helixtrans-60.9-38.9177.3-94.6143.4000113.4G507 D514 L515G507-L511 PolarHBondContact O-N 3.45Å; L511-D514 PolarHBondContact O-N 3.04Å; L511-L515 PolarHBondContact O-N 3.23Å; L511-L515 VanDerWaalsContact O-N 3.12Å
512I39.3Very low37.3Very low122 Ų122118.3 Ų118.363%0.62662%0.616SS**Hα-helixtrans-71.9-32.6179-65.3168.1000111.6H508 Q510 G516H508-I512 WeakPolarHBondContact O-CD1 3.3Å; H508-I512 VanDerWaalsContact O-CG1 3.3Å; H508-I512 WeakPolarHBondContact O-CG1 3.37Å; H508-I512 PolarHBondContact O-N 3.49Å; Q510-I512 PolarHBondContact O-N 3.32Å; I512-G516 PolarHBondContact O-N 3.47Å
513Q41Very low37.9Very low138 Ų138119.5 Ų119.565%0.64561%0.611SS**Hα-helixtrans-74.4-33.9175.1-79.1-175.50.300112.8R509 Q510 G516 R517R509-Q513 PolarHBondContact O-N 3.4Å; Q510-Q513 PolarHBondContact O-N 3.48Å; Q513-G516 PolarHBondContact O-N 3.24Å; Q513-R517 PolarHBondContact O-N 3.19Å
514D38.9Very low38Very low99 Ų99124.5 Ų124.553%0.52961%0.614SS.*Hα-helixtrans-72.8-36.9178.7-70.7-21.3000111.8Q510 L511 R517 Q518Q510-D514 PolarHBondContact O-N 3.12Å; L511-D514 PolarHBondContact O-N 3.04Å; D514-R517 PolarHBondContact O-N 3.47Å; D514-Q518 PolarHBondContact O-N 3.22Å
515L37.4Very low38.2Very low113 Ų113124.5 Ų124.559%0.59261%0.613SS**Hα-helixtrans-64.8-38.8171.2-87.3155.2000112.6L511 R517 Q518 M519L511-L515 PolarHBondContact O-N 3.23Å; L511-L515 VanDerWaalsContact O-N 3.12Å; L515-R517 VanDerWaalsContact C-N 3.3Å; L515-R517 PolarHBondContact O-N 3.35Å; L515-Q518 PolarHBondContact O-N 3.4Å; L515-M519 PolarHBondContact O-N 3.23Å
516G38.6Very low38.3Very low41 Ų41125.7 Ų125.742%0.42362%0.621SS.*Hα-helixtrans-67.4-26.8176.100000114.1I512 Q513 T520I512-G516 PolarHBondContact O-N 3.47Å; Q513-G516 PolarHBondContact O-N 3.24Å; G516-T520 PolarHBondContact O-OG1 3.35Å
517R42.7Very low38.4Very low182 Ų182122.7 Ų122.769%0.68762%0.621SS**Hα-helixtrans-77.4-40.6175.9-111.9-176.4-155.6-113.24.2112.6Q513 D514 L515 M519 T520 E521Q513-R517 PolarHBondContact O-N 3.19Å; D514-R517 PolarHBondContact O-N 3.47Å; L515-R517 VanDerWaalsContact C-N 3.3Å; L515-R517 PolarHBondContact O-N 3.35Å; R517-M519 VanDerWaalsContact C-N 3.3Å; R517-M519 PolarHBondContact O-N 3.31Å; R517-T520 PolarHBondContact O-N 3.42Å; R517-T520 PolarHBondContact O-OG1 3.08Å; R517-T520 VanDerWaalsContact O-OG1 3.08Å; R517-E521 PolarHBondContact O-N 3.33Å
518Q37.6Very low38.6Very low134 Ų134128.3 Ų128.363%0.62664%0.641SS**Hα-helixtrans-62.1-39.4177.5-84.3-179.6-3400112D514 L515 T520 E521 E522D514-Q518 PolarHBondContact O-N 3.22Å; L515-Q518 PolarHBondContact O-N 3.4Å; Q518-T520 VanDerWaalsContact C-N 3.32Å; Q518-T520 PolarHBondContact O-N 3.38Å; Q518-E521 PolarHBondContact O-N 3.22Å; Q518-E522 PolarHBondContact O-N 3.48Å
519M38.8Very low39Very low124 Ų124126.6 Ų126.661%0.61165%0.645SS**Hα-helixtrans-70.3-26.1-179.4-150.8-179.6177.800113.5L515 R517 M523L515-M519 PolarHBondContact O-N 3.23Å; R517-M519 VanDerWaalsContact C-N 3.3Å; R517-M519 PolarHBondContact O-N 3.31Å; M519-M523 HydrophobicContact CE-CE 4.39Å
520T43.8Very low38.7Very low86 Ų86124.5 Ų124.553%0.52866%0.656SS.*Hα-helixtrans-85.5-23.5176.934.70000113.4G516 R517 Q518G516-T520 PolarHBondContact O-OG1 3.35Å; R517-T520 PolarHBondContact O-N 3.42Å; R517-T520 PolarHBondContact O-OG1 3.08Å; R517-T520 VanDerWaalsContact O-OG1 3.08Å; Q518-T520 VanDerWaalsContact C-N 3.32Å; Q518-T520 PolarHBondContact O-N 3.38Å
521E41.6Very low38.6Very low126 Ų126124.4 Ų124.459%0.58967%0.668SS**Hα-helixtrans-74.9-38.7172.9-144.994.4-159.100111.1R517 Q518 R524R517-E521 PolarHBondContact O-N 3.33Å; Q518-E521 PolarHBondContact O-N 3.22Å; E521-R524 PolarHBondContact O-N 2.89Å
522E41.1Very low38.4Very low145 Ų145129.6 Ų129.668%0.67869%0.686SS**Hα-helixtrans-70.4-32.6178.9-74.9-172.3161.300113.7Q518 R524 I525Q518-E522 PolarHBondContact O-N 3.48Å; E522-R524 VanDerWaalsContact C-N 3.29Å; E522-R524 PolarHBondContact O-N 3.39Å; E522-I525 PolarHBondContact O-N 3.36Å
523M39.5Very low38.1Very low135 Ų135127 Ų12767%0.66569%0.69SS**THydrogen-bonded Turntrans-71.4-19.4175.5-75.9-169.1-16300114M519M519-M523 HydrophobicContact CE-CE 4.39Å
524R37.8Very low37.6Very low210 Ų210126 Ų12679%0.79270%0.704SS**THydrogen-bonded Turntrans-81.1-18.2178.6-87.6-177.8172.9165.40.2113.9E521 E522E521-R524 PolarHBondContact O-N 2.89Å; E522-R524 VanDerWaalsContact C-N 3.29Å; E522-R524 PolarHBondContact O-N 3.39Å
525I38.3Very low37.1Very low139 Ų139125.1 Ų125.171%0.71372%0.719SS**THydrogen-bonded Turntrans-84.9-15.8-175.2-61.2173.2000112E522E522-I525 PolarHBondContact O-N 3.36Å
526S39.9Very low37.1Very low107 Ų107128.7 Ų128.775%0.74873%0.733SS**THydrogen-bonded Turntrans-95-0.1-176.6-71.10000116.1
527A37.1Very low36.7Very low82 Ų82136 Ų13668%0.67876%0.758SS**SBendtrans-95-10.5-175.700000115.4
528D36.6Very low36.5Very low161 Ų161133.9 Ų133.986%0.86176%0.76SS**SBendtrans-105.362.8-177.9-87.3-14.6000112.1
529S40.1Very low36.3Very low105 Ų105136.6 Ų136.673%0.73477%0.77SS**  trans-164.370.4160.248.40000113.5
530C30.1Very low36.3Very low139 Ų139133.8 Ų133.894%0.93977%0.767SS**  trans-163.791.1149.1-126.90000111.5
531S35.8Very low36.2Very low109 Ų109137.4 Ų137.476%0.76278%0.782SS**  trans-123.9116.2166.958.30000109.6
532F31.3Very low36.3Very low225 Ų225144.1 Ų144.199%0.98781%0.814SS**  trans174.4130.7159.9-102.4-74.4000105.8
533G31.2Very low36.1Very low68 Ų68144.1 Ų144.170%0.70182%0.821SS**  cis175.3137-1.700000108.5
534A31.8Very low35.9Very low115 Ų115144.6 Ų144.695%0.9583%0.829SS**  trans39.7132.7150.500000123
535G28.7Very low35.8Very low81 Ų81140.9 Ų140.984%0.83583%0.831SS**  trans176.175.3156.200000114.2
536E36.7Very low35.7Very low188 Ų188141.1 Ų141.188%0.87984%0.838SS**  trans-60.8140.9164.1-75.7175.9130.700111.5
537M30.9Very low35.4Very low194 Ų194143.2 Ų143.296%0.95684%0.844SS**  trans-158.1142135.9-118-177.1-79.600112.7
538L37.9Very low35.3Very low139 Ų139147.3 Ų147.373%0.72886%0.855SS**  trans-85.9173.1-164.7-74148.9000115.1
539F32.7Very low35.2Very low191 Ų191146.3 Ų146.384%0.83885%0.854SS**  trans83.6146.5159-64-83.6000117
540A38.8Very low34.8Very low65 Ų65149.5 Ų149.554%0.53786%0.863SS.*  cis174.1155-20.900000105.3
541D43.3Very low35.2Very low161 Ų161150.3 Ų150.386%0.86186%0.857SS**  trans65.4133.3162.9-52.7-26.6000116.9
542E43.3Very low35.1Very low268 Ų268154.1 Ų154.1100%1.25287%0.866SS**  cis-132.9019.1-71.9178.7122.100112.7

Retrieved 542 of 542 residues in 625.9 ms (Link to these results)

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