A0A077YWK4_TRITR Loading...

DNA replication complex GINS protein PSF2

AlphaFold DB , UniProt , Accession A0A077YWK4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 186 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
1M79Confident91.3Very high56 Ų5669 Ų6928%0.27633%0.328SS..  0119.20-172.4166.2168.400107.8E5 C6 I9 M150M1-E5 VanDerWaalsContact C-OE2 3.28Å; M1-E5 WeakPolarHBondContact CA-OE2 3.34Å; M1-E5 HydrophobicContact CE-CB 4.15Å; M1-E5 HydrophobicContact CG-CB 3.86Å; M1-C6 HydrophobicContact CE-CB 3.87Å; M1-I9 HydrophobicContact CE-CD1 3.37Å; M1-I9 HydrophobicContact CE-CG1 4.31Å; M1-I9 HydrophobicContact SD-CD1 4.36Å; M1-M150 HydrophobicContact CE-CE 3.53Å; M1-M150 HydrophobicContact CE-CG 4.07Å; M1-M150 HydrophobicContact SD-CE 3.13Å; M1-M150 WeakPolarHBondContact SD-CE 3.47Å
2N86.1Confident91.5Very high68 Ų6874.9 Ų74.936%0.36435%0.351SS..  trans-102.7170.8-176.171.128.2000111.5Q4 E5 C6N2-Q4 VanDerWaalsContact C-N 3.26Å; N2-Q4 PolarHBondContact O-N 3.07Å; N2-Q4 WeakPolarHBondContact OD1-CA 3.34Å; N2-Q4 WeakPolarHBondContact OD1-CB 3.12Å; N2-Q4 PolarHBondContact OD1-N 3.22Å; N2-E5 PolarHBondContact N-OE2 2.84Å; N2-E5 WeakPolarHBondContact O-CB 3.34Å; N2-E5 PolarHBondContact O-N 2.93Å; N2-E5 VanDerWaalsContact O-N 3.09Å; N2-E5 WeakPolarHBondContact OD1-CG 3.41Å; N2-E5 PolarHBondContact OD1-N 3.08Å; N2-C6 PolarHBondContact O-N 2.74Å; N2-C6 VanDerWaalsContact O-N 3.15Å; N2-C6 PolarHBondContact O-SG 3.12Å
3H86.5Confident91.8Very high108 Ų10874.3 Ų74.350%0.535%0.348SS..Hα-helixtrans-55.8-36.5-179.5178.964.4000113.9E5 C6 M7H3-E5 VanDerWaalsContact C-N 3.35Å; H3-C6 PolarHBondContact O-N 3.43Å; H3-M7 WeakPolarHBondContact O-CG 3.34Å; H3-M7 PolarHBondContact O-N 3.49Å
4Q90.8Very high92.1Very high151 Ų15175.5 Ų75.571%0.70636%0.358SS*.Hα-helixtrans-67.4-36.4179.1-66.5179.8-25.600111.9N2 M7 F8N2-Q4 VanDerWaalsContact C-N 3.26Å; N2-Q4 PolarHBondContact O-N 3.07Å; N2-Q4 WeakPolarHBondContact OD1-CA 3.34Å; N2-Q4 WeakPolarHBondContact OD1-CB 3.12Å; N2-Q4 PolarHBondContact OD1-N 3.22Å; Q4-M7 PolarHBondContact O-N 2.8Å; Q4-F8 WeakPolarHBondContact O-CB 3.44Å; Q4-F8 PolarHBondContact O-N 2.93Å
5E93.3Very high92.4Very high92 Ų9270.9 Ų70.943%0.4334%0.336SS..Hα-helixtrans-67.7-41.2174.2-68.2170.3138.400111.3M1 N2 H3 M7 F8 I9M1-E5 VanDerWaalsContact C-OE2 3.28Å; M1-E5 WeakPolarHBondContact CA-OE2 3.34Å; M1-E5 HydrophobicContact CE-CB 4.15Å; M1-E5 HydrophobicContact CG-CB 3.86Å; N2-E5 PolarHBondContact N-OE2 2.84Å; N2-E5 WeakPolarHBondContact O-CB 3.34Å; N2-E5 PolarHBondContact O-N 2.93Å; N2-E5 VanDerWaalsContact O-N 3.09Å; N2-E5 WeakPolarHBondContact OD1-CG 3.41Å; N2-E5 PolarHBondContact OD1-N 3.08Å; H3-E5 VanDerWaalsContact C-N 3.35Å; E5-M7 VanDerWaalsContact C-N 3.32Å; E5-M7 PolarHBondContact O-N 2.82Å; E5-F8 PolarHBondContact O-N 2.85Å; E5-I9 WeakPolarHBondContact O-CG1 3.38Å; E5-I9 PolarHBondContact O-N 2.98Å
6C93.6Very high92.6Very high0 Ų070.3 Ų70.30%033%0.333CS..Hα-helixtrans-62.5-42176.3-26.20000109.6M1 N2 H3 I9 A10 E94 M150 C154M1-C6 HydrophobicContact CE-CB 3.87Å; N2-C6 PolarHBondContact O-N 2.74Å; N2-C6 VanDerWaalsContact O-N 3.15Å; N2-C6 PolarHBondContact O-SG 3.12Å; H3-C6 PolarHBondContact O-N 3.43Å; C6-I9 PolarHBondContact O-N 2.93Å; C6-A10 WeakPolarHBondContact O-CB 3.34Å; C6-A10 PolarHBondContact O-N 2.83Å; C6-E94 WeakPolarHBondContact CB-OE1 3.46Å; C6-M150 HydrophobicContact CB-CG 4.38Å; C6-C154 WeakPolarHBondContact CB-SG 3.13Å; C6-C154 WeakPolarHBondContact SG-CB 3.26Å; C6-C154 CovalentContact SG-SG 2.09Å; C6-C154 PolarHBondContact SG-SG 2.93Å
7M93.3Very high92.8Very high41 Ų4166.1 Ų66.120%0.20231%0.313CS..Hα-helixtrans-60.6-44.8171.9-72.5-69-66.100113H3 Q4 E5 I9 A10 E11 E94 R98H3-M7 WeakPolarHBondContact O-CG 3.34Å; H3-M7 PolarHBondContact O-N 3.49Å; Q4-M7 PolarHBondContact O-N 2.8Å; E5-M7 VanDerWaalsContact C-N 3.32Å; E5-M7 PolarHBondContact O-N 2.82Å; M7-I9 PolarHBondContact O-N 2.84Å; M7-A10 WeakPolarHBondContact O-CB 3.35Å; M7-A10 PolarHBondContact O-N 2.91Å; M7-E11 WeakPolarHBondContact O-CG 3.39Å; M7-E11 PolarHBondContact O-N 3.09Å; M7-E94 HydrophobicContact CG-CG 4.28Å; M7-E94 VanDerWaalsContact SD-CA 3.59Å; M7-E94 HydrophobicContact SD-CB 3.55Å; M7-E94 VanDerWaalsContact SD-CB 3.55Å; M7-E94 HydrophobicContact SD-CG 3.65Å; M7-R98 HydrophobicContact CE-CB 4.47Å
8F95.3Very high93Very high134 Ų13466.2 Ų66.259%0.58832%0.315SS*.Hα-helixtrans-63.2-41179.5174.9-105.4000112.3Q4 E5 E11Q4-F8 WeakPolarHBondContact O-CB 3.44Å; Q4-F8 PolarHBondContact O-N 2.93Å; E5-F8 PolarHBondContact O-N 2.85Å; F8-E11 WeakPolarHBondContact O-CB 3.49Å; F8-E11 PolarHBondContact O-N 2.92Å
9I95.7Very high93.3Very high65 Ų6562.8 Ų62.833%0.33330%0.299SS..Hα-helixtrans-64.6-44.3176-66.6-179.6000110.5M1 E5 C6 M7 E11 K12M1-I9 HydrophobicContact CE-CD1 3.37Å; M1-I9 HydrophobicContact CE-CG1 4.31Å; M1-I9 HydrophobicContact SD-CD1 4.36Å; E5-I9 WeakPolarHBondContact O-CG1 3.38Å; E5-I9 PolarHBondContact O-N 2.98Å; C6-I9 PolarHBondContact O-N 2.93Å; M7-I9 PolarHBondContact O-N 2.84Å; I9-E11 PolarHBondContact O-N 2.83Å; I9-E11 VanDerWaalsContact O-N 3.15Å; I9-K12 WeakPolarHBondContact O-CB 3.25Å; I9-K12 PolarHBondContact O-N 2.94Å; I9-K12 VanDerWaalsContact O-N 3.13Å
10A95.6Very high93.4Very high1 Ų164.8 Ų64.81%0.00831%0.311CS..Hα-helixtrans-59.5-24.9178.200000113.4C6 M7 K12 Q13 H91 E94 V95C6-A10 WeakPolarHBondContact O-CB 3.34Å; C6-A10 PolarHBondContact O-N 2.83Å; M7-A10 WeakPolarHBondContact O-CB 3.35Å; M7-A10 PolarHBondContact O-N 2.91Å; A10-K12 PolarHBondContact O-N 2.79Å; A10-K12 VanDerWaalsContact O-N 3.11Å; A10-Q13 WeakPolarHBondContact O-CB 3.25Å; A10-Q13 PolarHBondContact O-N 2.77Å; A10-H91 HydrophobicContact CB-CB 3.61Å; A10-E94 HydrophobicContact CB-CB 3.34Å; A10-E94 HydrophobicContact CB-CG 4.04Å; A10-V95 HydrophobicContact CB-CG2 4.46Å
11E94.7Very high93.5Very high43 Ų4364 Ų6420%0.20131%0.307CS..THydrogen-bonded Turntrans-64.2-16.4178.2-62.6-155.2141.400114.1M7 F8 I9 Q13 L46 W47 R98M7-E11 WeakPolarHBondContact O-CG 3.39Å; M7-E11 PolarHBondContact O-N 3.09Å; F8-E11 WeakPolarHBondContact O-CB 3.49Å; F8-E11 PolarHBondContact O-N 2.92Å; I9-E11 PolarHBondContact O-N 2.83Å; I9-E11 VanDerWaalsContact O-N 3.15Å; E11-Q13 PolarHBondContact O-N 3.25Å; E11-L46 WeakPolarHBondContact O-CB 3.03Å; E11-L46 PolarHBondContact O-N 2.91Å; E11-L46 VanDerWaalsContact O-N 3.09Å; E11-W47 HydrophobicContact CB-CB 3.95Å; E11-W47 VanDerWaalsContact O-CD1 3.28Å; E11-W47 PolarHBondContact O-N 3.16Å; E11-W47 VanDerWaalsContact O-N 3.11Å; E11-W47 WeakPolarHBondContact OE2-CB 3.39Å; E11-R98 IonicContact OE1-CZ 3.58Å; E11-R98 IonicContact OE1-NE 2.68Å; E11-R98 IonicContact OE1-NH2 3.69Å; E11-R98 PolarHBondContact OE1-NH2 3.49Å
12K94.5Very high94.3Very high140 Ų14070.1 Ų70.161%0.60933%0.327SS*.THydrogen-bonded Turntrans-75.1-15.6173.8-63.5179.1-177.3175.40112.9I9 A10 L14I9-K12 WeakPolarHBondContact O-CB 3.25Å; I9-K12 PolarHBondContact O-N 2.94Å; I9-K12 VanDerWaalsContact O-N 3.13Å; A10-K12 PolarHBondContact O-N 2.79Å; A10-K12 VanDerWaalsContact O-N 3.11Å; K12-L14 PolarHBondContact O-N 2.92Å
13Q95.3Very high94.8Very high67 Ų6770.2 Ų70.231%0.31333%0.33SS..SBendtrans-57.6132.1179.3-176.261.526.800110.5A10 E11 P45 L46 N89 V95A10-Q13 WeakPolarHBondContact O-CB 3.25Å; A10-Q13 PolarHBondContact O-N 2.77Å; E11-Q13 PolarHBondContact O-N 3.25Å; Q13-P45 CarbonylContact O-C 3.6Å; Q13-P45 WeakPolarHBondContact O-CA 3.46Å; Q13-L46 WeakPolarHBondContact O-CB 3.36Å; Q13-L46 PolarHBondContact O-N 3.15Å; Q13-N89 PolarHBondContact NE2-ND2 3.19Å; Q13-V95 HydrophobicContact CB-CG2 3.96Å; Q13-V95 HydrophobicContact CG-CG2 3.94Å
14L96.1Very high95.2Very high91 Ų9171.5 Ų71.548%0.47634%0.341SS..EExtended strand (participates in β ladder)trans-75.9131.4176.2-62.9178.5000110.5K12 F33 V44 P45K12-L14 PolarHBondContact O-N 2.92Å; L14-F33 HydrophobicContact CD2-CE1 4.31Å; L14-V44 CarbonylContact C-O 3.6Å; L14-V44 WeakPolarHBondContact CA-O 3.49Å; L14-P45 HydrophobicContact CD2-CG 4.03Å
15V95.9Very high95.4Very high6 Ų667.4 Ų67.44%0.03633%0.326CS..EExtended strand (participates in β ladder)trans-129156.5175.5-62.50000109.9R43 V44 L46 A49 L99V15-R43 WeakPolarHBondContact O-CA 3.42Å; V15-V44 PolarHBondContact N-O 3.26Å; V15-V44 PolarHBondContact O-N 3.24Å; V15-V44 VanDerWaalsContact O-O 3.08Å; V15-L46 HydrophobicContact CG1-CB 4.34Å; V15-L46 HydrophobicContact CG1-CD1 4.12Å; V15-L46 HydrophobicContact CG2-CB 4.4Å; V15-L46 HydrophobicContact CG2-CD1 4.19Å; V15-A49 HydrophobicContact CG2-CB 3.52Å; V15-L99 HydrophobicContact CG1-CD2 4.45Å
16E96.1Very high95.4Very high61 Ų6166 Ų6629%0.28532%0.321SS..EExtended strand (participates in β ladder)trans-93133.8-179.6-72.6179.3-165.500111.1I42 R43 I61E16-I42 WeakPolarHBondContact CA-O 3.18Å; E16-R43 HydrophobicContact CG-CG 3.54Å; E16-R43 IonicContact OE1-CZ 3.25Å; E16-R43 VanDerWaalsContact OE1-CZ 3.25Å; E16-R43 IonicContact OE1-NE 2.82Å; E16-R43 PolarHBondContact OE1-NE 3.3Å; E16-R43 IonicContact OE1-NH2 2.8Å; E16-R43 PolarHBondContact OE1-NH2 3.45Å; E16-I61 HydrophobicContact CB-CB 4.07Å; E16-I61 HydrophobicContact CB-CD1 4.19Å; E16-I61 PolarHBondContact O-N 3.31Å
17I96.3Very high95.5Very high0 Ų075.9 Ų75.90%036%0.358CS..EExtended strand (participates in β ladder)trans-129.2153.5176.267.6165.4000110.8F36 A41 I42 V44 A49 L52 C58 G59 I60I17-F36 HydrophobicContact CD1-CE1 4.33Å; I17-A41 WeakPolarHBondContact O-CA 3.39Å; I17-I42 HydrophobicContact CD1-CG2 4.39Å; I17-I42 HydrophobicContact CG1-CG2 3.81Å; I17-I42 PolarHBondContact N-O 2.89Å; I17-I42 PolarHBondContact O-N 3.5Å; I17-V44 HydrophobicContact CD1-CG1 4.22Å; I17-V44 HydrophobicContact CD1-CG2 3.69Å; I17-V44 HydrophobicContact CG1-CG1 4.43Å; I17-V44 HydrophobicContact CG1-CG2 3.82Å; I17-V44 HydrophobicContact CG2-CG2 3.91Å; I17-A49 HydrophobicContact CG2-CB 3.61Å; I17-L52 HydrophobicContact CD1-CD1 3.52Å; I17-C58 HydrophobicContact CB-CB 4.19Å; I17-C58 HydrophobicContact CD1-CB 4Å; I17-G59 CarbonylContact C-O 3.54Å; I17-G59 VanDerWaalsContact CA-O 3.25Å; I17-G59 WeakPolarHBondContact CA-O 3.41Å; I17-G59 WeakPolarHBondContact CB-O 3.19Å; I17-I60 HydrophobicContact CG2-CG1 4.12Å
18I96.6Very high95.5Very high68 Ų6876.6 Ų76.635%0.34936%0.362SS..EExtended strand (participates in β ladder)trans-110.5105168.4-57.8174.7000107.1A41 C58 G59 I61I18-A41 HydrophobicContact CG1-CB 4.41Å; I18-C58 CarbonylContact O-C 3.53Å; I18-C58 WeakPolarHBondContact O-CA 3.1Å; I18-C58 WeakPolarHBondContact O-CB 3.37Å; I18-G59 PolarHBondContact N-O 3.22Å; I18-G59 PolarHBondContact O-N 2.88Å; I18-I61 HydrophobicContact CD1-CD1 3.93Å; I18-I61 HydrophobicContact CD1-CG1 4.11Å; I18-I61 HydrophobicContact CG1-CD1 3.75Å; I18-I61 HydrophobicContact CG1-CG1 4.05Å
19P97.3Very high95.4Very high2 Ų277.1 Ų77.11%0.01338%0.381CS..EExtended strand (participates in β ladder)trans-72.4153.9177.731.6-31.3000110.6F21 F36 E37 P38 G39 V40 S57P19-F21 HydrophobicContact CB-CD1 3.88Å; P19-F21 HydrophobicContact CB-CE1 3.63Å; P19-F21 HydrophobicContact CB-CZ 4.23Å; P19-F36 HydrophobicContact CB-CB 4.34Å; P19-F36 HydrophobicContact CB-CD1 4.26Å; P19-F36 HydrophobicContact CG-CB 4.25Å; P19-F36 HydrophobicContact CG-CD1 4.27Å; P19-E37 WeakPolarHBondContact CG-O 3.4Å; P19-P38 WeakPolarHBondContact O-CA 3.43Å; P19-G39 PolarHBondContact O-N 3.37Å; P19-G39 VanDerWaalsContact O-N 3.08Å; P19-V40 WeakPolarHBondContact CD-O 3.47Å; P19-S57 WeakPolarHBondContact CA-O 3.28Å
20N95.9Very high95.1Very high101 Ų10179 Ų7954%0.5440%0.396SS..SBendtrans-109.69.3172.268.17.1000112.8R56 S57N20-R56 PolarHBondContact ND2-O 2.85Å; N20-S57 PolarHBondContact N-O 3.11Å; N20-S57 WeakPolarHBondContact OD1-CA 3.32Å; N20-S57 PolarHBondContact OD1-O 3.11Å
21F96.2Very high95Very high48 Ų4880.2 Ų80.221%0.21141%0.408CS..SBendtrans-125.1161.7-178.466.7-82.4000110P19 T23 F36 P38 L52 S57P19-F21 HydrophobicContact CB-CD1 3.88Å; P19-F21 HydrophobicContact CB-CE1 3.63Å; P19-F21 HydrophobicContact CB-CZ 4.23Å; F21-T23 VanDerWaalsContact CD2-OG1 3.28Å; F21-T23 WeakPolarHBondContact CD2-OG1 3.42Å; F21-F36 HydrophobicContact CD2-CB 4.21Å; F21-F36 HydrophobicContact CE2-CB 3.59Å; F21-F36 HydrophobicContact CE2-CD1 4.34Å; F21-F36 HydrophobicContact CE2-CD2 4.09Å; F21-F36 AromaticContact CE2-CG 3.75Å; F21-F36 HydrophobicContact CE2-CG 3.75Å; F21-F36 HydrophobicContact CZ-CB 3.89Å; F21-F36 AromaticContact CZ-CD1 3.84Å; F21-F36 HydrophobicContact CZ-CD1 3.84Å; F21-F36 HydrophobicContact CZ-CD2 4.28Å; F21-F36 HydrophobicContact CZ-CE1 4.47Å; F21-F36 AromaticContact CZ-CG 3.73Å; F21-F36 HydrophobicContact CZ-CG 3.73Å; F21-P38 WeakPolarHBondContact O-CD 3.42Å; F21-L52 HydrophobicContact CE1-CD1 4.34Å; F21-L52 HydrophobicContact CE1-CD2 3.87Å; F21-L52 HydrophobicContact CZ-CD1 4.19Å; F21-L52 HydrophobicContact CZ-CD2 3.77Å; F21-S57 WeakPolarHBondContact CD1-O 3.29Å; F21-S57 WeakPolarHBondContact CE1-O 3.35Å
22R96.2Very high95Very high185 Ų18583.3 Ų83.370%0.69843%0.426SS*.  trans-107.8125.9173-174.8174.4-78.1-148.8-7.2110F36 P38R22-F36 CarbonylContact C-O 3.59Å; R22-F36 VanDerWaalsContact CA-O 3.26Å; R22-F36 WeakPolarHBondContact CA-O 3.49Å; R22-P38 HydrophobicContact CB-CG 4.49Å
23T94.9Very high95.1Very high70 Ų7077.9 Ų77.943%0.42940%0.403SS..BIsolated β-bridgetrans-152.2146.1173.1-62.80000109.7F21 F36F21-T23 VanDerWaalsContact CD2-OG1 3.28Å; F21-T23 WeakPolarHBondContact CD2-OG1 3.42Å; T23-F36 PolarHBondContact N-O 2.85Å; T23-F36 PolarHBondContact O-N 2.97Å
24N95.2Very high95Very high136 Ų13675.7 Ų75.773%0.72740%0.399SS*.  trans-64175.6173.5-68.9-30.4000111.4L26N24-L26 PolarHBondContact O-N 3.4Å; N24-L26 VanDerWaalsContact O-N 3.12Å
25V95.7Very high95Very high64 Ų6474.9 Ų74.939%0.38840%0.399SS..  trans-54.5118.9176-177.30000110.7R27 N32 F33V25-R27 PolarHBondContact O-N 3.25Å; V25-N32 HydrophobicContact CG1-CB 3.75Å; V25-F33 CarbonylContact C-O 3.53Å; V25-F33 WeakPolarHBondContact CA-O 3.45Å
26L93.7Very high95Very high64 Ų6474.9 Ų74.934%0.33540%0.398SS..EExtended strand (participates in β ladder)trans-77.5116.2170.9-177.166.5000108.7N24 L28 N32 F33 F36 L48N24-L26 PolarHBondContact O-N 3.4Å; N24-L26 VanDerWaalsContact O-N 3.12Å; L26-L28 HydrophobicContact CD1-CD2 4.11Å; L26-L28 HydrophobicContact CD2-CD1 3.93Å; L26-L28 HydrophobicContact CD2-CD2 3.92Å; L26-L28 HydrophobicContact CD2-CG 4.07Å; L26-L28 HydrophobicContact CG-CD1 4.29Å; L26-L28 HydrophobicContact CG-CD2 3.73Å; L26-L28 HydrophobicContact CG-CG 3.89Å; L26-N32 WeakPolarHBondContact O-CA 3.33Å; L26-F33 PolarHBondContact N-O 3.42Å; L26-F33 PolarHBondContact O-N 2.83Å; L26-F36 HydrophobicContact CB-CE2 4.11Å; L26-L48 HydrophobicContact CD2-CD1 4.42Å; L26-L48 HydrophobicContact CD2-CD2 4.39Å
27R95.3Very high95Very high207 Ų20776 Ų7678%0.78140%0.403SS*.EExtended strand (participates in β ladder)trans-96113.5179.3-56.2-174.8-176.2-161.9-0.5110V25 N32V25-R27 PolarHBondContact O-N 3.25Å; R27-N32 VanDerWaalsContact CA-OD1 3.25Å; R27-N32 WeakPolarHBondContact CA-OD1 3.35Å; R27-N32 WeakPolarHBondContact CB-OD1 3.41Å; R27-N32 WeakPolarHBondContact CG-OD1 3.47Å
28L94Very high95Very high55 Ų5579.3 Ų79.329%0.28843%0.425SS..EExtended strand (participates in β ladder)trans-120.3161.8-178.9-53.4175.1000110.7L26 T30 G31 F33 W47L26-L28 HydrophobicContact CD1-CD2 4.11Å; L26-L28 HydrophobicContact CD2-CD1 3.93Å; L26-L28 HydrophobicContact CD2-CD2 3.92Å; L26-L28 HydrophobicContact CD2-CG 4.07Å; L26-L28 HydrophobicContact CG-CD1 4.29Å; L26-L28 HydrophobicContact CG-CD2 3.73Å; L26-L28 HydrophobicContact CG-CG 3.89Å; L28-T30 PolarHBondContact O-N 3.38Å; L28-T30 VanDerWaalsContact O-N 3.16Å; L28-G31 CarbonylContact C-O 3.5Å; L28-G31 WeakPolarHBondContact CA-O 3.33Å; L28-G31 VanDerWaalsContact CB-O 3.32Å; L28-G31 WeakPolarHBondContact CB-O 3.49Å; L28-G31 PolarHBondContact N-O 2.82Å; L28-G31 PolarHBondContact O-N 3.27Å; L28-G31 VanDerWaalsContact O-N 3.09Å; L28-G31 VanDerWaalsContact O-O 3.11Å; L28-F33 HydrophobicContact CD1-CD2 3.86Å; L28-F33 HydrophobicContact CD1-CE2 4.04Å; L28-W47 HydrophobicContact CD1-CH2 3.36Å; L28-W47 HydrophobicContact CD1-CZ2 3.74Å
29C93Very high95Very high146 Ų14678.8 Ų78.899%0.98644%0.436SS*.THydrogen-bonded Turntrans-59-28.4176.2-54.50000112.9
30T89Confident94.9Very high105 Ų10582.3 Ų82.364%0.64446%0.458SS*.THydrogen-bonded Turntrans-90.7-7.5-179.252.40000113.7L28L28-T30 PolarHBondContact O-N 3.38Å; L28-T30 VanDerWaalsContact O-N 3.16Å
31G92.6Very high95Very high26 Ų2680.2 Ų80.227%0.26846%0.455SS..EExtended strand (participates in β ladder)trans148.4174.4-177.200000113.6L28L28-G31 CarbonylContact C-O 3.5Å; L28-G31 WeakPolarHBondContact CA-O 3.33Å; L28-G31 VanDerWaalsContact CB-O 3.32Å; L28-G31 WeakPolarHBondContact CB-O 3.49Å; L28-G31 PolarHBondContact N-O 2.82Å; L28-G31 PolarHBondContact O-N 3.27Å; L28-G31 VanDerWaalsContact O-N 3.09Å; L28-G31 VanDerWaalsContact O-O 3.11Å
32N95.9Very high95Very high108 Ų10879.6 Ų79.658%0.57845%0.453SS*.EExtended strand (participates in β ladder)trans-105.7130.7177.1-63-42000109.4V25 L26 R27V25-N32 HydrophobicContact CG1-CB 3.75Å; L26-N32 WeakPolarHBondContact O-CA 3.33Å; R27-N32 VanDerWaalsContact CA-OD1 3.25Å; R27-N32 WeakPolarHBondContact CA-OD1 3.35Å; R27-N32 WeakPolarHBondContact CB-OD1 3.41Å; R27-N32 WeakPolarHBondContact CG-OD1 3.47Å
33F95.9Very high95Very high25 Ų2578.5 Ų78.511%0.1145%0.449CS..EExtended strand (participates in β ladder)trans-127.6137.6-179.9-57.2-72000110.8L14 V25 L26 L28 F36 V44 P45 L48L14-F33 HydrophobicContact CD2-CE1 4.31Å; V25-F33 CarbonylContact C-O 3.53Å; V25-F33 WeakPolarHBondContact CA-O 3.45Å; L26-F33 PolarHBondContact N-O 3.42Å; L26-F33 PolarHBondContact O-N 2.83Å; L28-F33 HydrophobicContact CD1-CD2 3.86Å; L28-F33 HydrophobicContact CD1-CE2 4.04Å; F33-F36 HydrophobicContact CB-CE2 4.48Å; F33-F36 HydrophobicContact CB-CZ 3.98Å; F33-F36 WeakPolarHBondContact O-CE2 3.32Å; F33-V44 HydrophobicContact CB-CG1 4.26Å; F33-V44 HydrophobicContact CD1-CG1 4.37Å; F33-P45 HydrophobicContact CE1-CG 3.72Å; F33-P45 HydrophobicContact CE2-CG 3.82Å; F33-P45 HydrophobicContact CZ-CG 3.28Å; F33-L48 HydrophobicContact CB-CD2 4.05Å; F33-L48 HydrophobicContact CD2-CD2 3.91Å; F33-L48 HydrophobicContact CG-CD2 4.02Å
34G93Very high95.1Very high22 Ų2275.1 Ų75.123%0.22743%0.428CS..  trans112.1-175.5-173.800000112.6
35P95.7Very high95.2Very high74 Ų7469 Ų6948%0.48140%0.396SS..  cis-64.2146.25.328.4-35.6000112.5
36F96.9Very high95.3Very high6 Ų666 Ų663%0.02638%0.377CS..BIsolated β-bridgetrans-91.2118.3173.9-63-83.9000108.1I17 P19 F21 R22 T23 L26 F33 I42 V44 L48 L52I17-F36 HydrophobicContact CD1-CE1 4.33Å; P19-F36 HydrophobicContact CB-CB 4.34Å; P19-F36 HydrophobicContact CB-CD1 4.26Å; P19-F36 HydrophobicContact CG-CB 4.25Å; P19-F36 HydrophobicContact CG-CD1 4.27Å; F21-F36 HydrophobicContact CD2-CB 4.21Å; F21-F36 HydrophobicContact CE2-CB 3.59Å; F21-F36 HydrophobicContact CE2-CD1 4.34Å; F21-F36 HydrophobicContact CE2-CD2 4.09Å; F21-F36 AromaticContact CE2-CG 3.75Å; F21-F36 HydrophobicContact CE2-CG 3.75Å; F21-F36 HydrophobicContact CZ-CB 3.89Å; F21-F36 AromaticContact CZ-CD1 3.84Å; F21-F36 HydrophobicContact CZ-CD1 3.84Å; F21-F36 HydrophobicContact CZ-CD2 4.28Å; F21-F36 HydrophobicContact CZ-CE1 4.47Å; F21-F36 AromaticContact CZ-CG 3.73Å; F21-F36 HydrophobicContact CZ-CG 3.73Å; R22-F36 CarbonylContact C-O 3.59Å; R22-F36 VanDerWaalsContact CA-O 3.26Å; R22-F36 WeakPolarHBondContact CA-O 3.49Å; T23-F36 PolarHBondContact N-O 2.85Å; T23-F36 PolarHBondContact O-N 2.97Å; L26-F36 HydrophobicContact CB-CE2 4.11Å; F33-F36 HydrophobicContact CB-CE2 4.48Å; F33-F36 HydrophobicContact CB-CZ 3.98Å; F33-F36 WeakPolarHBondContact O-CE2 3.32Å; F36-I42 HydrophobicContact CD1-CG2 4.12Å; F36-I42 HydrophobicContact CE1-CG2 4.15Å; F36-V44 HydrophobicContact CE1-CG1 3.89Å; F36-V44 HydrophobicContact CZ-CG1 4.18Å; F36-L48 HydrophobicContact CZ-CD2 4.37Å; F36-L52 HydrophobicContact CE1-CD1 4.22Å
37E96.6Very high95.4Very high83 Ų8366.4 Ų66.439%0.38838%0.375SS..  trans-125.6133.3178.3-63.9-167.2148.800110.4P19 G39 V40P19-E37 WeakPolarHBondContact CG-O 3.4Å; E37-G39 PolarHBondContact O-N 3.37Å; E37-V40 HydrophobicContact CB-CB 4.15Å; E37-V40 HydrophobicContact CB-CG2 3.87Å; E37-V40 PolarHBondContact O-N 2.95Å; E37-V40 VanDerWaalsContact O-N 3.07Å
38P96.5Very high95.4Very high70 Ų7056.6 Ų56.646%0.45534%0.338SS..THydrogen-bonded Turntrans-53.7126.4-178.5-26.634.4000112.4P19 F21 R22 V40P19-P38 WeakPolarHBondContact O-CA 3.43Å; F21-P38 WeakPolarHBondContact O-CD 3.42Å; R22-P38 HydrophobicContact CB-CG 4.49Å; P38-V40 VanDerWaalsContact C-N 3.3Å; P38-V40 PolarHBondContact O-N 3.48Å
39G94.9Very high95.5Very high57 Ų5754 Ų5459%0.58832%0.324SS*.THydrogen-bonded Turntrans82.5-4.5177.500000115.7P19 E37P19-G39 PolarHBondContact O-N 3.37Å; P19-G39 VanDerWaalsContact O-N 3.08Å; E37-G39 PolarHBondContact O-N 3.37Å
40V96.7Very high95.6Very high76 Ų7647.1 Ų47.146%0.46128%0.278SS..  trans-96.7119.9178.9-177.90000110.1P19 E37 P38P19-V40 WeakPolarHBondContact CD-O 3.47Å; E37-V40 HydrophobicContact CB-CB 4.15Å; E37-V40 HydrophobicContact CB-CG2 3.87Å; E37-V40 PolarHBondContact O-N 2.95Å; E37-V40 VanDerWaalsContact O-N 3.07Å; P38-V40 VanDerWaalsContact C-N 3.3Å; P38-V40 PolarHBondContact O-N 3.48Å
41A97Very high95.9Very high58 Ų5845 Ų4548%0.47926%0.261SS..  trans-66.3134.8178.600000111.6I17 I18 I61I17-A41 WeakPolarHBondContact O-CA 3.39Å; I18-A41 HydrophobicContact CG1-CB 4.41Å; A41-I61 HydrophobicContact CB-CD1 4.01Å
42I96.7Very high96Very high34 Ų3444.4 Ų44.417%0.17425%0.252CS..EExtended strand (participates in β ladder)trans-140.7144.8178.9-172.3168.6000111.4E16 I17 F36 V44E16-I42 WeakPolarHBondContact CA-O 3.18Å; I17-I42 HydrophobicContact CD1-CG2 4.39Å; I17-I42 HydrophobicContact CG1-CG2 3.81Å; I17-I42 PolarHBondContact N-O 2.89Å; I17-I42 PolarHBondContact O-N 3.5Å; F36-I42 HydrophobicContact CD1-CG2 4.12Å; F36-I42 HydrophobicContact CE1-CG2 4.15Å; I42-V44 HydrophobicContact CG2-CG1 4.35Å
43R96.9Very high95.9Very high162 Ų16241.2 Ų41.261%0.61123%0.233SC*.EExtended strand (participates in β ladder)trans-84.4124.6174.2-72.3-176.6176.9-166.2-0.8111.2V15 E16V15-R43 WeakPolarHBondContact O-CA 3.42Å; E16-R43 HydrophobicContact CG-CG 3.54Å; E16-R43 IonicContact OE1-CZ 3.25Å; E16-R43 VanDerWaalsContact OE1-CZ 3.25Å; E16-R43 IonicContact OE1-NE 2.82Å; E16-R43 PolarHBondContact OE1-NE 3.3Å; E16-R43 IonicContact OE1-NH2 2.8Å; E16-R43 PolarHBondContact OE1-NH2 3.45Å
44V96.8Very high95.8Very high0 Ų046.6 Ų46.60%026%0.258CS..EExtended strand (participates in β ladder)trans-136.1158.7175.2-61.90000110.3L14 V15 I17 F33 F36 I42 L48 A49L14-V44 CarbonylContact C-O 3.6Å; L14-V44 WeakPolarHBondContact CA-O 3.49Å; V15-V44 PolarHBondContact N-O 3.26Å; V15-V44 PolarHBondContact O-N 3.24Å; V15-V44 VanDerWaalsContact O-O 3.08Å; I17-V44 HydrophobicContact CD1-CG1 4.22Å; I17-V44 HydrophobicContact CD1-CG2 3.69Å; I17-V44 HydrophobicContact CG1-CG1 4.43Å; I17-V44 HydrophobicContact CG1-CG2 3.82Å; I17-V44 HydrophobicContact CG2-CG2 3.91Å; F33-V44 HydrophobicContact CB-CG1 4.26Å; F33-V44 HydrophobicContact CD1-CG1 4.37Å; F36-V44 HydrophobicContact CE1-CG1 3.89Å; F36-V44 HydrophobicContact CZ-CG1 4.18Å; I42-V44 HydrophobicContact CG2-CG1 4.35Å; V44-L48 HydrophobicContact CB-CB 4.32Å; V44-L48 HydrophobicContact CB-CD2 4.04Å; V44-L48 HydrophobicContact CB-CG 4.28Å; V44-L48 HydrophobicContact CG1-CD2 4.09Å; V44-L48 HydrophobicContact CG2-CB 4.48Å; V44-A49 HydrophobicContact CG2-CB 3.93Å
45P97.1Very high95.8Very high6 Ų653.5 Ų53.54%0.03928%0.277CS..EExtended strand (participates in β ladder)trans-61.7148.7173.3-22.635.4000110.8Q13 L14 F33 W47 L48 A49Q13-P45 CarbonylContact O-C 3.6Å; Q13-P45 WeakPolarHBondContact O-CA 3.46Å; L14-P45 HydrophobicContact CD2-CG 4.03Å; F33-P45 HydrophobicContact CE1-CG 3.72Å; F33-P45 HydrophobicContact CE2-CG 3.82Å; F33-P45 HydrophobicContact CZ-CG 3.28Å; P45-W47 VanDerWaalsContact C-N 3.26Å; P45-W47 VanDerWaalsContact CB-CD1 3.48Å; P45-W47 HydrophobicContact CB-CD2 4.5Å; P45-W47 HydrophobicContact CB-CG 4.25Å; P45-W47 HydrophobicContact CB-CZ2 4.49Å; P45-W47 HydrophobicContact CG-CZ2 4.3Å; P45-W47 PolarHBondContact O-N 3.09Å; P45-L48 WeakPolarHBondContact O-CA 3.29Å; P45-L48 WeakPolarHBondContact O-CB 3.46Å; P45-L48 PolarHBondContact O-N 2.97Å; P45-A49 PolarHBondContact O-N 3.44Å
46L96.5Very high95.6Very high1 Ų160.3 Ų60.31%0.00529%0.294CS..Hα-helixtrans-57.5-35.8-178.7178.861000112.9E11 Q13 V15 L48 A49 A50 V95 R98 L99 L102E11-L46 WeakPolarHBondContact O-CB 3.03Å; E11-L46 PolarHBondContact O-N 2.91Å; E11-L46 VanDerWaalsContact O-N 3.09Å; Q13-L46 WeakPolarHBondContact O-CB 3.36Å; Q13-L46 PolarHBondContact O-N 3.15Å; V15-L46 HydrophobicContact CG1-CB 4.34Å; V15-L46 HydrophobicContact CG1-CD1 4.12Å; V15-L46 HydrophobicContact CG2-CB 4.4Å; V15-L46 HydrophobicContact CG2-CD1 4.19Å; L46-L48 VanDerWaalsContact C-N 3.31Å; L46-L48 PolarHBondContact O-N 3.24Å; L46-A49 PolarHBondContact O-N 3.37Å; L46-A50 WeakPolarHBondContact O-CB 3.24Å; L46-A50 PolarHBondContact O-N 3Å; L46-V95 HydrophobicContact CD2-CG2 4.25Å; L46-R98 HydrophobicContact CD1-CG 3.93Å; L46-R98 HydrophobicContact CD2-CB 3.95Å; L46-R98 HydrophobicContact CD2-CG 3.76Å; L46-R98 HydrophobicContact CG-CG 3.86Å; L46-L99 HydrophobicContact CD1-CD2 3.87Å; L46-L99 HydrophobicContact CD1-CG 4.34Å; L46-L102 HydrophobicContact CD1-CD1 4.38Å
47W95.8Very high95.5Very high74 Ų7461.2 Ų61.228%0.2830%0.301SS..Hα-helixtrans-61.2-38.7172.964.2-97.1000112.3E11 L28 P45 A50 M51E11-W47 HydrophobicContact CB-CB 3.95Å; E11-W47 VanDerWaalsContact O-CD1 3.28Å; E11-W47 PolarHBondContact O-N 3.16Å; E11-W47 VanDerWaalsContact O-N 3.11Å; E11-W47 WeakPolarHBondContact OE2-CB 3.39Å; L28-W47 HydrophobicContact CD1-CH2 3.36Å; L28-W47 HydrophobicContact CD1-CZ2 3.74Å; P45-W47 VanDerWaalsContact C-N 3.26Å; P45-W47 VanDerWaalsContact CB-CD1 3.48Å; P45-W47 HydrophobicContact CB-CD2 4.5Å; P45-W47 HydrophobicContact CB-CG 4.25Å; P45-W47 HydrophobicContact CB-CZ2 4.49Å; P45-W47 HydrophobicContact CG-CZ2 4.3Å; P45-W47 PolarHBondContact O-N 3.09Å; W47-A50 PolarHBondContact O-N 3.26Å; W47-M51 PolarHBondContact O-N 3.12Å
48L96Very high95.4Very high1 Ų157.7 Ų57.71%0.00529%0.285CS..Hα-helixtrans-73.1-42.2-179.7-178.352.4000110.2L26 F33 F36 V44 P45 L46 A50 M51 L52L26-L48 HydrophobicContact CD2-CD1 4.42Å; L26-L48 HydrophobicContact CD2-CD2 4.39Å; F33-L48 HydrophobicContact CB-CD2 4.05Å; F33-L48 HydrophobicContact CD2-CD2 3.91Å; F33-L48 HydrophobicContact CG-CD2 4.02Å; F36-L48 HydrophobicContact CZ-CD2 4.37Å; V44-L48 HydrophobicContact CB-CB 4.32Å; V44-L48 HydrophobicContact CB-CD2 4.04Å; V44-L48 HydrophobicContact CB-CG 4.28Å; V44-L48 HydrophobicContact CG1-CD2 4.09Å; V44-L48 HydrophobicContact CG2-CB 4.48Å; P45-L48 WeakPolarHBondContact O-CA 3.29Å; P45-L48 WeakPolarHBondContact O-CB 3.46Å; P45-L48 PolarHBondContact O-N 2.97Å; L46-L48 VanDerWaalsContact C-N 3.31Å; L46-L48 PolarHBondContact O-N 3.24Å; L48-A50 VanDerWaalsContact C-N 3.32Å; L48-A50 PolarHBondContact O-N 3.32Å; L48-M51 HydrophobicContact CD1-CE 3.6Å; L48-M51 PolarHBondContact O-N 3.42Å; L48-L52 HydrophobicContact CD1-CD1 4.15Å; L48-L52 HydrophobicContact CD1-CG 4.15Å; L48-L52 HydrophobicContact CG-CD1 4.11Å; L48-L52 WeakPolarHBondContact O-CB 3.49Å; L48-L52 WeakPolarHBondContact O-CG 3.25Å; L48-L52 PolarHBondContact O-N 3.09Å
49A96Very high95.2Very high0 Ų055.8 Ų55.80%028%0.279CS..Hα-helixtrans-57.4-45.217200000111.5V15 I17 V44 P45 L46 M51 L52 K53 I60V15-A49 HydrophobicContact CG2-CB 3.52Å; I17-A49 HydrophobicContact CG2-CB 3.61Å; V44-A49 HydrophobicContact CG2-CB 3.93Å; P45-A49 PolarHBondContact O-N 3.44Å; L46-A49 PolarHBondContact O-N 3.37Å; A49-M51 PolarHBondContact O-N 2.97Å; A49-L52 PolarHBondContact O-N 3.31Å; A49-K53 VanDerWaalsContact O-CB 3.26Å; A49-K53 WeakPolarHBondContact O-CB 3.38Å; A49-K53 PolarHBondContact O-N 3.46Å; A49-I60 HydrophobicContact CB-CD1 4.43Å
50A95Very high95.2Very high2 Ų254 Ų542%0.01726%0.255CS..Hα-helixtrans-60-47.2177.100000111.8L46 W47 L48 L52 K53 Q54 L102L46-A50 WeakPolarHBondContact O-CB 3.24Å; L46-A50 PolarHBondContact O-N 3Å; W47-A50 PolarHBondContact O-N 3.26Å; L48-A50 VanDerWaalsContact C-N 3.32Å; L48-A50 PolarHBondContact O-N 3.32Å; A50-L52 PolarHBondContact O-N 2.85Å; A50-K53 PolarHBondContact O-N 3.42Å; A50-Q54 WeakPolarHBondContact O-CG 3.39Å; A50-Q54 PolarHBondContact O-N 2.58Å; A50-L102 HydrophobicContact CB-CD1 3.74Å; A50-L102 HydrophobicContact CB-CD2 4Å
51M95Very high95Very high61 Ų6153.2 Ų53.230%0.325%0.248SC..Hα-helixtrans-61.9-43.4178.4-173.4-171.875.300112.1W47 L48 A49 R55W47-M51 PolarHBondContact O-N 3.12Å; L48-M51 HydrophobicContact CD1-CE 3.6Å; L48-M51 PolarHBondContact O-N 3.42Å; A49-M51 PolarHBondContact O-N 2.97Å; M51-R55 WeakPolarHBondContact O-CG 3.28Å; M51-R55 PolarHBondContact O-N 2.95Å
52L95.2Very high94.9Very high13 Ų1353 Ų537%0.06824%0.238CC..Hα-helixtrans-69.3-38.7178.5-68.5173.7000111.9I17 F21 F36 L48 A49 A50 R55 R56 S57 C58I17-L52 HydrophobicContact CD1-CD1 3.52Å; F21-L52 HydrophobicContact CE1-CD1 4.34Å; F21-L52 HydrophobicContact CE1-CD2 3.87Å; F21-L52 HydrophobicContact CZ-CD1 4.19Å; F21-L52 HydrophobicContact CZ-CD2 3.77Å; F36-L52 HydrophobicContact CE1-CD1 4.22Å; L48-L52 HydrophobicContact CD1-CD1 4.15Å; L48-L52 HydrophobicContact CD1-CG 4.15Å; L48-L52 HydrophobicContact CG-CD1 4.11Å; L48-L52 WeakPolarHBondContact O-CB 3.49Å; L48-L52 WeakPolarHBondContact O-CG 3.25Å; L48-L52 PolarHBondContact O-N 3.09Å; A49-L52 PolarHBondContact O-N 3.31Å; A50-L52 PolarHBondContact O-N 2.85Å; L52-R55 CarbonylContact O-C 3.56Å; L52-R55 PolarHBondContact O-N 2.87Å; L52-R56 PolarHBondContact O-N 3.34Å; L52-S57 PolarHBondContact O-N 3.5Å; L52-C58 HydrophobicContact CB-CB 4.34Å; L52-C58 WeakPolarHBondContact CB-SG 3.15Å
53K94.2Very high94.7Very high40 Ų4052.9 Ų52.917%0.17424%0.24CC..Hα-helixtrans-66.1-40.8176.7-177.168.5-179.4-173.80112A49 A50 R55 R56 C58 I60 L102 D106A49-K53 VanDerWaalsContact O-CB 3.26Å; A49-K53 WeakPolarHBondContact O-CB 3.38Å; A49-K53 PolarHBondContact O-N 3.46Å; A50-K53 PolarHBondContact O-N 3.42Å; K53-R55 PolarHBondContact O-N 3.03Å; K53-R56 WeakPolarHBondContact O-CA 3.26Å; K53-R56 PolarHBondContact O-N 3.13Å; K53-C58 WeakPolarHBondContact CD-O 3.33Å; K53-I60 HydrophobicContact CB-CD1 3.92Å; K53-I60 HydrophobicContact CB-CG1 4.39Å; K53-I60 HydrophobicContact CD-CD1 4.34Å; K53-I60 HydrophobicContact CD-CG1 4.36Å; K53-I60 HydrophobicContact CG-CD1 3.98Å; K53-I60 HydrophobicContact CG-CG1 4.49Å; K53-L102 VanDerWaalsContact CE-O 3.28Å; K53-L102 WeakPolarHBondContact CE-O 3.36Å; K53-L102 HydrophobicContact CG-CB 4.38Å; K53-L102 HydrophobicContact CG-CD2 4.46Å; K53-D106 WeakPolarHBondContact CE-OD2 3.47Å; K53-D106 VanDerWaalsContact NZ-CG 3.26Å; K53-D106 IonicContact NZ-OD1 3.91Å; K53-D106 PolarHBondContact NZ-OD1 3.5Å; K53-D106 VanDerWaalsContact NZ-OD1 3.12Å; K53-D106 IonicContact NZ-OD2 2.67Å; K53-D106 PolarHBondContact NZ-OD2 3.29Å
54Q92.9Very high94.6Very high139 Ų13951.8 Ų51.865%0.6524%0.242SC*.Hα-helixtrans-59.4-34.7174.3-77.2177.3-9.200112.5A50 R56A50-Q54 WeakPolarHBondContact O-CG 3.39Å; A50-Q54 PolarHBondContact O-N 2.58Å; Q54-R56 PolarHBondContact O-N 3.15Å
55R93.9Very high94.5Very high166 Ų16653.6 Ų53.663%0.62625%0.249SC*.THydrogen-bonded Turntrans-80.82.8173.3-63.4177.1-172.8-169.72.6113.5M51 L52 K53 S57M51-R55 WeakPolarHBondContact O-CG 3.28Å; M51-R55 PolarHBondContact O-N 2.95Å; L52-R55 CarbonylContact O-C 3.56Å; L52-R55 PolarHBondContact O-N 2.87Å; K53-R55 PolarHBondContact O-N 3.03Å; R55-S57 WeakPolarHBondContact CB-OG 3.47Å; R55-S57 PolarHBondContact O-N 2.99Å; R55-S57 PolarHBondContact O-OG 3.2Å
56R92.2Very high94.3Very high217 Ų21753.4 Ų53.482%0.81925%0.247SC*.THydrogen-bonded Turntrans54.233.1-174.6-53.9178.1-179.2177.9-1.4112.1N20 L52 K53 Q54N20-R56 PolarHBondContact ND2-O 2.85Å; L52-R56 PolarHBondContact O-N 3.34Å; K53-R56 WeakPolarHBondContact O-CA 3.26Å; K53-R56 PolarHBondContact O-N 3.13Å; Q54-R56 PolarHBondContact O-N 3.15Å
57S93.4Very high94.2Very high26 Ų2655.3 Ų55.318%0.18226%0.26CS..  trans-98.2-2.3-176-510000113.3P19 N20 F21 L52 R55P19-S57 WeakPolarHBondContact CA-O 3.28Å; N20-S57 PolarHBondContact N-O 3.11Å; N20-S57 WeakPolarHBondContact OD1-CA 3.32Å; N20-S57 PolarHBondContact OD1-O 3.11Å; F21-S57 WeakPolarHBondContact CD1-O 3.29Å; F21-S57 WeakPolarHBondContact CE1-O 3.35Å; L52-S57 PolarHBondContact O-N 3.5Å; R55-S57 WeakPolarHBondContact CB-OG 3.47Å; R55-S57 PolarHBondContact O-N 2.99Å; R55-S57 PolarHBondContact O-OG 3.2Å
58C94.3Very high94.1Very high8 Ų852.7 Ų52.75%0.05425%0.252CS..EExtended strand (participates in β ladder)trans-153.4154.7174.967.90000112.4I17 I18 L52 K53I17-C58 HydrophobicContact CB-CB 4.19Å; I17-C58 HydrophobicContact CD1-CB 4Å; I18-C58 CarbonylContact O-C 3.53Å; I18-C58 WeakPolarHBondContact O-CA 3.1Å; I18-C58 WeakPolarHBondContact O-CB 3.37Å; L52-C58 HydrophobicContact CB-CB 4.34Å; L52-C58 WeakPolarHBondContact CB-SG 3.15Å; K53-C58 WeakPolarHBondContact CD-O 3.33Å
59G93.5Very high94.1Very high31 Ų3158.4 Ų58.432%0.3228%0.278SS..EExtended strand (participates in β ladder)trans-86.7148.4155.800000109.8I17 I18I17-G59 CarbonylContact C-O 3.54Å; I17-G59 VanDerWaalsContact CA-O 3.25Å; I17-G59 WeakPolarHBondContact CA-O 3.41Å; I17-G59 WeakPolarHBondContact CB-O 3.19Å; I18-G59 PolarHBondContact N-O 3.22Å; I18-G59 PolarHBondContact O-N 2.88Å
60I94.5Very high94.1Very high18 Ų1863.3 Ų63.39%0.09230%0.297CS..EExtended strand (participates in β ladder)trans-104.2133.2173.4-61.9174.3000107.6I17 A49 K53 L99 L102I17-I60 HydrophobicContact CG2-CG1 4.12Å; A49-I60 HydrophobicContact CB-CD1 4.43Å; K53-I60 HydrophobicContact CB-CD1 3.92Å; K53-I60 HydrophobicContact CB-CG1 4.39Å; K53-I60 HydrophobicContact CD-CD1 4.34Å; K53-I60 HydrophobicContact CD-CG1 4.36Å; K53-I60 HydrophobicContact CG-CD1 3.98Å; K53-I60 HydrophobicContact CG-CG1 4.49Å; I60-L99 HydrophobicContact CG2-CD2 3.68Å; I60-L102 HydrophobicContact CD1-CB 3.84Å; I60-L102 HydrophobicContact CD1-CD1 3.8Å; I60-L102 HydrophobicContact CD1-CG 4.4Å
61I93.4Very high94.2Very high60 Ų6063.2 Ų63.231%0.30830%0.296SS..EExtended strand (participates in β ladder)trans-90.9122.8171.9-59.2170.8000107.1E16 I18 A41E16-I61 HydrophobicContact CB-CB 4.07Å; E16-I61 HydrophobicContact CB-CD1 4.19Å; E16-I61 PolarHBondContact O-N 3.31Å; I18-I61 HydrophobicContact CD1-CD1 3.93Å; I18-I61 HydrophobicContact CD1-CG1 4.11Å; I18-I61 HydrophobicContact CG1-CD1 3.75Å; I18-I61 HydrophobicContact CG1-CG1 4.05Å; A41-I61 HydrophobicContact CB-CD1 4.01Å
62L93Very high94.4Very high54 Ų5462.8 Ų62.828%0.28329%0.293SS..PPolyproline II helixtrans-67.3139.8175.1-66.6179.1000110.1M66 L99 L113L62-M66 HydrophobicContact CD2-CE 4.49Å; L62-M66 HydrophobicContact CD2-SD 3.99Å; L62-L99 HydrophobicContact CD2-CB 4.03Å; L62-L99 HydrophobicContact CD2-CD1 4.31Å; L62-L113 HydrophobicContact CD1-CD1 4.33Å
63P94.1Very high94.5Very high31 Ų3166.8 Ų66.820%0.20131%0.312CS..PPolyproline II helixtrans-58.5147.6173.2-23.433.3000112.1W65 M66 L99P63-W65 HydrophobicContact CB-CD2 4.1Å; P63-W65 HydrophobicContact CB-CG 4.17Å; P63-W65 HydrophobicContact CB-CZ2 3.99Å; P63-W65 HydrophobicContact CG-CZ2 3.86Å; P63-W65 PolarHBondContact O-N 3.5Å; P63-M66 WeakPolarHBondContact O-CB 3.47Å; P63-M66 PolarHBondContact O-N 2.68Å; P63-L99 VanDerWaalsContact CD-CD1 3.44Å; P63-L99 HydrophobicContact CG-CD1 3.85Å
64E93.2Very high94.7Very high139 Ų13965.9 Ų65.965%0.6531%0.309SS*.G310 helixtrans-54.6-39.8-178.3-172.8-170.1157.500113.1M66 S67 R70E64-M66 PolarHBondContact O-N 3.31Å; E64-M66 VanDerWaalsContact O-N 3.15Å; E64-S67 PolarHBondContact O-N 3.05Å; E64-S67 PolarHBondContact O-OG 2.92Å; E64-R70 IonicContact OE1-CZ 3.73Å; E64-R70 IonicContact OE1-NE 3.9Å; E64-R70 IonicContact OE1-NH2 2.79Å; E64-R70 PolarHBondContact OE1-NH2 3.39Å
65W95.2Very high94.9Very high39 Ų3961.4 Ų61.415%0.14829%0.286CS..G310 helixtrans-65.6-14.6179.159.1-105000114P63 S67 P88 N89 F92 V95P63-W65 HydrophobicContact CB-CD2 4.1Å; P63-W65 HydrophobicContact CB-CG 4.17Å; P63-W65 HydrophobicContact CB-CZ2 3.99Å; P63-W65 HydrophobicContact CG-CZ2 3.86Å; P63-W65 PolarHBondContact O-N 3.5Å; W65-S67 VanDerWaalsContact C-N 3.34Å; W65-P88 HydrophobicContact CB-CB 3.68Å; W65-P88 HydrophobicContact CB-CG 3.77Å; W65-P88 HydrophobicContact CD2-CB 4.41Å; W65-P88 HydrophobicContact CG-CB 3.74Å; W65-P88 HydrophobicContact CG-CG 4.24Å; W65-N89 HydrophobicContact CZ2-CB 4.29Å; W65-F92 AromaticContact CE3-CD2 3.95Å; W65-F92 HydrophobicContact CE3-CD2 3.95Å; W65-F92 AromaticContact CE3-CE2 3.55Å; W65-F92 HydrophobicContact CE3-CE2 3.55Å; W65-F92 HydrophobicContact CE3-CZ 4.47Å; W65-F92 HydrophobicContact CH2-CD2 4.31Å; W65-F92 AromaticContact CZ3-CD2 3.76Å; W65-F92 HydrophobicContact CZ3-CD2 3.76Å; W65-F92 AromaticContact CZ3-CE2 3.55Å; W65-F92 HydrophobicContact CZ3-CE2 3.55Å; W65-F92 HydrophobicContact CZ3-CZ 4.26Å; W65-V95 HydrophobicContact CH2-CG1 4.27Å; W65-V95 HydrophobicContact CZ2-CG1 4.04Å
66M94Very high95.1Very high2 Ų256.9 Ų56.91%0.0127%0.274CS..G310 helixtrans-94.611.3-178.9-159.9172.5173.900112.6L62 P63 E64 S96 L99 L100 L113 I117L62-M66 HydrophobicContact CD2-CE 4.49Å; L62-M66 HydrophobicContact CD2-SD 3.99Å; P63-M66 WeakPolarHBondContact O-CB 3.47Å; P63-M66 PolarHBondContact O-N 2.68Å; E64-M66 PolarHBondContact O-N 3.31Å; E64-M66 VanDerWaalsContact O-N 3.15Å; M66-S96 WeakPolarHBondContact CE-O 3.33Å; M66-L99 HydrophobicContact CE-CB 4.15Å; M66-L99 HydrophobicContact SD-CB 4.14Å; M66-L99 HydrophobicContact SD-CD1 3.84Å; M66-L100 HydrophobicContact CE-CD1 4.16Å; M66-L100 HydrophobicContact CE-CD2 3.8Å; M66-L100 HydrophobicContact CE-CG 3.5Å; M66-L113 VanDerWaalsContact O-CD2 3.24Å; M66-L113 WeakPolarHBondContact O-CD2 3.34Å; M66-I117 HydrophobicContact CE-CD1 3.96Å
67S93.2Very high95.4Very high40 Ų4051 Ų5128%0.2826%0.259SS..SBendtrans-71.5155.6167.550.90000111.1E64 W65 E69 R70 L71E64-S67 PolarHBondContact O-N 3.05Å; E64-S67 PolarHBondContact O-OG 2.92Å; W65-S67 VanDerWaalsContact C-N 3.34Å; S67-E69 VanDerWaalsContact C-N 3.32Å; S67-E69 PolarHBondContact O-N 3.42Å; S67-R70 PolarHBondContact O-N 3.27Å; S67-R70 WeakPolarHBondContact OG-CB 3.44Å; S67-R70 WeakPolarHBondContact OG-CG 3.35Å; S67-L71 WeakPolarHBondContact O-CB 3.48Å; S67-L71 VanDerWaalsContact O-CG 3.29Å; S67-L71 WeakPolarHBondContact O-CG 3.49Å; S67-L71 PolarHBondContact O-N 3.43Å
68I94.5Very high95.6Very high20 Ų2049.9 Ų49.910%0.10325%0.251CS..Hα-helixtrans-60.3-46.1-176.6-64170.2000110.2R70 L71 E72 D109 R112 L113 L116I68-R70 PolarHBondContact O-N 2.92Å; I68-L71 PolarHBondContact O-N 2.9Å; I68-E72 WeakPolarHBondContact O-CG 3.22Å; I68-E72 PolarHBondContact O-N 2.9Å; I68-D109 HydrophobicContact CD1-CB 3.63Å; I68-R112 HydrophobicContact CG2-CG 4.45Å; I68-L113 HydrophobicContact CG1-CD2 3.63Å; I68-L113 HydrophobicContact CG1-CG 4.27Å; I68-L116 HydrophobicContact CG2-CD1 3.94Å
69E95.6Very high95.7Very high120 Ų12057.3 Ų57.356%0.56128%0.278SS*.Hα-helixtrans-60.4-46.1-177.8-59.575.3-164.900110.6S67 E72 E73S67-E69 VanDerWaalsContact C-N 3.32Å; S67-E69 PolarHBondContact O-N 3.42Å; E69-E72 PolarHBondContact O-N 2.93Å; E69-E73 WeakPolarHBondContact O-CG 3.28Å; E69-E73 PolarHBondContact O-N 3.41Å
70R96.7Very high95.8Very high103 Ų10360.4 Ų60.439%0.38930%0.295SS..Hα-helixtrans-68.1-37.9178.8-63.8-63.3-1571529.8112.3E64 S67 I68 E72 E73 I74E64-R70 IonicContact OE1-CZ 3.73Å; E64-R70 IonicContact OE1-NE 3.9Å; E64-R70 IonicContact OE1-NH2 2.79Å; E64-R70 PolarHBondContact OE1-NH2 3.39Å; S67-R70 PolarHBondContact O-N 3.27Å; S67-R70 WeakPolarHBondContact OG-CB 3.44Å; S67-R70 WeakPolarHBondContact OG-CG 3.35Å; I68-R70 PolarHBondContact O-N 2.92Å; R70-E72 VanDerWaalsContact C-N 3.34Å; R70-E73 WeakPolarHBondContact CD-OE2 3.4Å; R70-E73 IonicContact NH1-OE2 3.66Å; R70-E73 WeakPolarHBondContact O-CB 3.37Å; R70-E73 PolarHBondContact O-N 3.09Å; R70-I74 WeakPolarHBondContact O-CD1 3.23Å; R70-I74 WeakPolarHBondContact O-CG1 3.36Å; R70-I74 PolarHBondContact O-N 3.19Å
71L97.4Very high95.8Very high0 Ų061.5 Ų61.50%030%0.304CS..Hα-helixtrans-67.2-36.3175.7-71.8174.2000111.7S67 I68 I74 R75 F92 L113 L116 I117 I120S67-L71 WeakPolarHBondContact O-CB 3.48Å; S67-L71 VanDerWaalsContact O-CG 3.29Å; S67-L71 WeakPolarHBondContact O-CG 3.49Å; S67-L71 PolarHBondContact O-N 3.43Å; I68-L71 PolarHBondContact O-N 2.9Å; L71-I74 HydrophobicContact CD2-CD1 4.48Å; L71-I74 PolarHBondContact O-N 2.58Å; L71-R75 WeakPolarHBondContact O-CB 3.45Å; L71-R75 PolarHBondContact O-N 3.43Å; L71-F92 HydrophobicContact CD2-CE2 4.19Å; L71-F92 HydrophobicContact CD2-CZ 3.64Å; L71-L113 HydrophobicContact CD1-CD2 3.57Å; L71-L116 HydrophobicContact CB-CB 4.08Å; L71-L116 HydrophobicContact CB-CD1 3.92Å; L71-L116 HydrophobicContact CD1-CB 4.34Å; L71-I117 HydrophobicContact CD1-CD1 4.32Å; L71-I117 HydrophobicContact CD1-CG1 4.14Å; L71-I117 HydrophobicContact CD2-CG1 4.21Å; L71-I120 HydrophobicContact CD2-CD1 4.06Å
72E97.7Very high95.8Very high52 Ų5264 Ų6424%0.24333%0.326CS..Hα-helixtrans-64.4-45172.3-73.2179.7157.400111.5I68 E69 R70 I74 R75 D76 R112 L116I68-E72 WeakPolarHBondContact O-CG 3.22Å; I68-E72 PolarHBondContact O-N 2.9Å; E69-E72 PolarHBondContact O-N 2.93Å; R70-E72 VanDerWaalsContact C-N 3.34Å; E72-I74 PolarHBondContact O-N 3.09Å; E72-R75 PolarHBondContact O-N 3.44Å; E72-D76 WeakPolarHBondContact O-CB 3.42Å; E72-D76 PolarHBondContact O-N 3.26Å; E72-R112 IonicContact OE1-CZ 2.58Å; E72-R112 IonicContact OE1-NE 3.66Å; E72-R112 IonicContact OE1-NH2 3.12Å; E72-R112 PolarHBondContact OE1-NH2 2.8Å; E72-R112 IonicContact OE2-NH2 2.84Å; E72-L116 HydrophobicContact CG-CD1 3.94Å; E72-L116 HydrophobicContact CG-CD2 3.78Å
73E97.8Very high95.8Very high97 Ų9770.8 Ų70.845%0.45335%0.348SS..Hα-helixtrans-56.4-47.4172.8-72.3172.2-172.900111.7E69 R70 D76 N77E69-E73 WeakPolarHBondContact O-CG 3.28Å; E69-E73 PolarHBondContact O-N 3.41Å; R70-E73 WeakPolarHBondContact CD-OE2 3.4Å; R70-E73 IonicContact NH1-OE2 3.66Å; R70-E73 WeakPolarHBondContact O-CB 3.37Å; R70-E73 PolarHBondContact O-N 3.09Å; E73-D76 PolarHBondContact O-N 3.12Å; E73-N77 VanDerWaalsContact O-CB 3.23Å; E73-N77 WeakPolarHBondContact O-CB 3.3Å; E73-N77 PolarHBondContact O-N 3.42Å; E73-N77 PolarHBondContact O-ND2 3.13Å
74I98.1Very high95.9Very high22 Ų2270 Ų7011%0.11334%0.342CS..Hα-helixtrans-61.5-46.4178.5-69.2162.8000110.7R70 L71 E72 D76 N77 E78 L87 P88 F92 I120R70-I74 WeakPolarHBondContact O-CD1 3.23Å; R70-I74 WeakPolarHBondContact O-CG1 3.36Å; R70-I74 PolarHBondContact O-N 3.19Å; L71-I74 HydrophobicContact CD2-CD1 4.48Å; L71-I74 PolarHBondContact O-N 2.58Å; E72-I74 PolarHBondContact O-N 3.09Å; I74-D76 PolarHBondContact O-N 3.1Å; I74-N77 PolarHBondContact O-N 2.83Å; I74-E78 VanDerWaalsContact O-CB 3.28Å; I74-E78 WeakPolarHBondContact O-CB 3.39Å; I74-E78 PolarHBondContact O-N 3.23Å; I74-L87 HydrophobicContact CG2-CD2 3.6Å; I74-P88 HydrophobicContact CD1-CG 3.71Å; I74-F92 HydrophobicContact CD1-CE2 4.22Å; I74-I120 HydrophobicContact CB-CD1 4.24Å; I74-I120 HydrophobicContact CG2-CD1 3.86Å; I74-I120 HydrophobicContact CG2-CG1 4.36Å; I74-I120 HydrophobicContact CG2-CG2 4.4Å
75R98Very high96Very high44 Ų4464.8 Ų64.817%0.16632%0.32CS..Hα-helixtrans-59.9-46.6178.5-178.1-162.766.2-154.8-11.9111.5L71 E72 E78 R79 I120 L123L71-R75 WeakPolarHBondContact O-CB 3.45Å; L71-R75 PolarHBondContact O-N 3.43Å; E72-R75 PolarHBondContact O-N 3.44Å; R75-E78 PolarHBondContact O-N 3.11Å; R75-R79 WeakPolarHBondContact O-CB 3.44Å; R75-R79 PolarHBondContact O-N 3.41Å; R75-I120 HydrophobicContact CB-CD1 4.37Å; R75-I120 HydrophobicContact CB-CG1 3.82Å; R75-I120 HydrophobicContact CG-CG1 4.35Å; R75-L123 HydrophobicContact CG-CD1 3.83Å
76D97.8Very high96.1Very high72 Ų7270.5 Ų70.539%0.38535%0.348SS..Hα-helixtrans-72.9-35.5-175.3-64.3-12.2000111.4E72 E73 I74 R79 S80E72-D76 WeakPolarHBondContact O-CB 3.42Å; E72-D76 PolarHBondContact O-N 3.26Å; E73-D76 PolarHBondContact O-N 3.12Å; I74-D76 PolarHBondContact O-N 3.1Å; D76-R79 PolarHBondContact O-N 2.95Å; D76-S80 WeakPolarHBondContact O-CB 3.34Å; D76-S80 PolarHBondContact O-N 3.33Å; D76-S80 PolarHBondContact O-OG 3.04Å
77N97.5Very high96.3Very high94 Ų9471.1 Ų71.150%0.50335%0.351SS..Hα-helixtrans-64.1-43.5170.1-72.6-27.7000112E73 I74 R79 S80 S81 T85E73-N77 VanDerWaalsContact O-CB 3.23Å; E73-N77 WeakPolarHBondContact O-CB 3.3Å; E73-N77 PolarHBondContact O-N 3.42Å; E73-N77 PolarHBondContact O-ND2 3.13Å; I74-N77 PolarHBondContact O-N 2.83Å; N77-R79 VanDerWaalsContact C-N 3.34Å; N77-R79 PolarHBondContact O-N 2.68Å; N77-S80 PolarHBondContact O-N 2.98Å; N77-S80 PolarHBondContact O-OG 2.92Å; N77-S81 VanDerWaalsContact O-CB 3.26Å; N77-S81 WeakPolarHBondContact O-CB 3.43Å; N77-S81 PolarHBondContact O-N 2.9Å; N77-T85 HydrophobicContact CB-CG2 4.45Å
78E97.6Very high96.4Very high1 Ų172.6 Ų72.61%0.00536%0.359CS..Hα-helixtrans-66.7-37.3178.4-172.663.3-138.500111.9I74 R75 T85 R124 K127I74-E78 VanDerWaalsContact O-CB 3.28Å; I74-E78 WeakPolarHBondContact O-CB 3.39Å; I74-E78 PolarHBondContact O-N 3.23Å; R75-E78 PolarHBondContact O-N 3.11Å; E78-T85 WeakPolarHBondContact OE2-CB 3.13Å; E78-T85 PolarHBondContact OE2-N 3.36Å; E78-T85 PolarHBondContact OE2-OG1 3.1Å; E78-R124 VanDerWaalsContact CD-CG 3.5Å; E78-R124 HydrophobicContact CG-CG 3.53Å; E78-R124 IonicContact OE1-NH1 2.7Å; E78-R124 IonicContact OE2-CZ 3.51Å; E78-R124 IonicContact OE2-NH1 3.4Å; E78-R124 PolarHBondContact OE2-NH1 2.9Å; E78-K127 PolarHBondContact O-NZ 3.02Å; E78-K127 WeakPolarHBondContact OE1-CE 2.98Å; E78-K127 IonicContact OE1-NZ 3.55Å; E78-K127 PolarHBondContact OE1-NZ 3.21Å
79R96.5Very high96.4Very high164 Ų16472.4 Ų72.462%0.61936%0.359SS*.Hα-helixtrans-67.7-38.8176.4179.8177.7-78.4168.3-4.2112.8R75 D76 N77 L123R75-R79 WeakPolarHBondContact O-CB 3.44Å; R75-R79 PolarHBondContact O-N 3.41Å; D76-R79 PolarHBondContact O-N 2.95Å; N77-R79 VanDerWaalsContact C-N 3.34Å; N77-R79 PolarHBondContact O-N 2.68Å; R79-L123 HydrophobicContact CB-CD1 4.26Å
80S96.3Very high96.3Very high97 Ų9773.1 Ų73.168%0.67836%0.362SS*.Hα-helixtrans-82.7-23.9-17759.50000113.6D76 N77D76-S80 WeakPolarHBondContact O-CB 3.34Å; D76-S80 PolarHBondContact O-N 3.33Å; D76-S80 PolarHBondContact O-OG 3.04Å; N77-S80 PolarHBondContact O-N 2.98Å; N77-S80 PolarHBondContact O-OG 2.92Å
81S94.8Very high96.2Very high40 Ų4069.1 Ų69.128%0.2835%0.348SS..  trans-83.1134.5179.4177.30000112.6N77 R83 K127N77-S81 VanDerWaalsContact O-CB 3.26Å; N77-S81 WeakPolarHBondContact O-CB 3.43Å; N77-S81 PolarHBondContact O-N 2.9Å; S81-R83 VanDerWaalsContact C-N 3.33Å; S81-R83 WeakPolarHBondContact CB-O 3.5Å; S81-R83 PolarHBondContact OG-N 3.17Å; S81-R83 PolarHBondContact OG-O 3.11Å; S81-K127 PolarHBondContact O-NZ 3.33Å
82S92Very high96.2Very high112 Ų11269.1 Ų69.178%0.78335%0.348SS*.SBendtrans-69.5-30.8170.258.70000112.8
83R93Very high96.2Very high198 Ų19867 Ų6775%0.74734%0.338SS*.SBendtrans-98.4163.1177.8-63.2-177.3177.7-171.7-1.9111.2S81 T85 K127S81-R83 VanDerWaalsContact C-N 3.33Å; S81-R83 WeakPolarHBondContact CB-O 3.5Å; S81-R83 PolarHBondContact OG-N 3.17Å; S81-R83 PolarHBondContact OG-O 3.11Å; R83-T85 PolarHBondContact O-N 3.4Å; R83-K127 PolarHBondContact O-NZ 3.15Å; R83-K127 VanDerWaalsContact O-NZ 3.1Å
84F96.8Very high96.1Very high14 Ų1462.5 Ų62.56%0.06132%0.317CS..PPolyproline II helixtrans-62.6127.9171-67.6-83000110.7R124 K127 L128 V145 N147 L148F84-R124 HydrophobicContact CD1-CG 4.49Å; F84-R124 HydrophobicContact CE1-CB 4.22Å; F84-R124 WeakPolarHBondContact CE1-O 3.27Å; F84-K127 HydrophobicContact CD1-CD 4.02Å; F84-K127 HydrophobicContact CD2-CD 4.32Å; F84-K127 HydrophobicContact CE1-CB 4.02Å; F84-K127 HydrophobicContact CE1-CD 4Å; F84-K127 HydrophobicContact CE1-CG 4.06Å; F84-K127 HydrophobicContact CE2-CD 4.27Å; F84-K127 HydrophobicContact CE2-CG 4.13Å; F84-K127 HydrophobicContact CG-CD 4.19Å; F84-K127 HydrophobicContact CZ-CB 4.01Å; F84-K127 HydrophobicContact CZ-CD 4.11Å; F84-K127 HydrophobicContact CZ-CG 3.81Å; F84-L128 HydrophobicContact CE1-CB 4.39Å; F84-L128 HydrophobicContact CE2-CD1 4.46Å; F84-L128 HydrophobicContact CZ-CB 3.87Å; F84-L128 HydrophobicContact CZ-CD1 3.98Å; F84-V145 HydrophobicContact CD2-CG1 3.61Å; F84-V145 HydrophobicContact CE2-CG1 3.58Å; F84-N147 HydrophobicContact CB-CB 4.06Å; F84-N147 PolarHBondContact O-ND2 3.31Å; F84-L148 HydrophobicContact CD1-CD2 3.77Å; F84-L148 HydrophobicContact CD2-CD2 3.9Å; F84-L148 HydrophobicContact CE1-CD2 3.65Å; F84-L148 HydrophobicContact CE2-CD2 3.83Å; F84-L148 HydrophobicContact CG-CD2 3.87Å; F84-L148 HydrophobicContact CZ-CD2 3.68Å
85T96.2Very high96Very high30 Ų3061.5 Ų61.518%0.18431%0.312CS..PPolyproline II helixtrans-79151.8172.368.90000109.8N77 E78 R83 L87 R124N77-T85 HydrophobicContact CB-CG2 4.45Å; E78-T85 WeakPolarHBondContact OE2-CB 3.13Å; E78-T85 PolarHBondContact OE2-N 3.36Å; E78-T85 PolarHBondContact OE2-OG1 3.1Å; R83-T85 PolarHBondContact O-N 3.4Å; T85-L87 PolarHBondContact O-N 3.19Å; T85-R124 PolarHBondContact O-NH1 3.38Å
86Q96.8Very high95.8Very high159 Ų15959.4 Ų59.474%0.74330%0.304SS*.PPolyproline II helixtrans-73.9122.3175.3-174.6177.111.900109.2
87L97.4Very high95.6Very high15 Ų1558.7 Ų58.78%0.07930%0.302CS..PPolyproline II helixtrans-78.8151.5174.2-64.9-179.2000111I74 T85 N89 F92 F93 T149I74-L87 HydrophobicContact CG2-CD2 3.6Å; T85-L87 PolarHBondContact O-N 3.19Å; L87-N89 PolarHBondContact O-N 3.25Å; L87-N89 VanDerWaalsContact O-N 3.09Å; L87-F92 HydrophobicContact CB-CB 4.17Å; L87-F92 HydrophobicContact CB-CD2 4.2Å; L87-F92 HydrophobicContact CB-CG 4.26Å; L87-F92 HydrophobicContact CD1-CB 3.73Å; L87-F92 HydrophobicContact CD1-CD1 3.78Å; L87-F92 HydrophobicContact CD1-CD2 4.34Å; L87-F92 HydrophobicContact CD1-CE1 4.46Å; L87-F92 HydrophobicContact CD1-CG 3.7Å; L87-F92 HydrophobicContact CG-CG 4.44Å; L87-F93 HydrophobicContact CD1-CE2 4.16Å; L87-F93 HydrophobicContact CD1-CZ 4.2Å; L87-T149 HydrophobicContact CD1-CG2 3.57Å
88P96.1Very high95.4Very high70 Ų7057.3 Ų57.346%0.45529%0.29SS..SBendtrans-63.7-15.8-178.4-24.235.3000114.8W65 I74W65-P88 HydrophobicContact CB-CB 3.68Å; W65-P88 HydrophobicContact CB-CG 3.77Å; W65-P88 HydrophobicContact CD2-CB 4.41Å; W65-P88 HydrophobicContact CG-CB 3.74Å; W65-P88 HydrophobicContact CG-CG 4.24Å; I74-P88 HydrophobicContact CD1-CG 3.71Å
89N94.5Very high95.3Very high17 Ų1757.2 Ų57.29%0.09129%0.29CS..SBendtrans-140.8138.7-179.7-167.3-83.9000110.2Q13 W65 L87 H91 F92Q13-N89 PolarHBondContact NE2-ND2 3.19Å; W65-N89 HydrophobicContact CZ2-CB 4.29Å; L87-N89 PolarHBondContact O-N 3.25Å; L87-N89 VanDerWaalsContact O-N 3.09Å; N89-H91 VanDerWaalsContact C-N 3.26Å; N89-H91 PolarHBondContact O-N 2.89Å; N89-H91 VanDerWaalsContact OD1-C 3.3Å; N89-H91 WeakPolarHBondContact OD1-CA 3.28Å; N89-H91 WeakPolarHBondContact OD1-CB 3.48Å; N89-H91 PolarHBondContact OD1-N 3.39Å; N89-F92 WeakPolarHBondContact O-CB 3.37Å; N89-F92 PolarHBondContact O-N 3.23Å
90E93.3Very high95.1Very high135 Ų13549.9 Ų49.963%0.63126%0.262SS*.THydrogen-bonded Turntrans-63.7-33.7178-175.2179.6174.300112.7T149E90-T149 WeakPolarHBondContact O-CB 3.49Å
91H95.7Very high94.8Very high19 Ų1950 Ų509%0.08826%0.256CS..THydrogen-bonded Turntrans-102.737177.3-56.8-55.9000111.6A10 N89 F93 E94 V95A10-H91 HydrophobicContact CB-CB 3.61Å; N89-H91 VanDerWaalsContact C-N 3.26Å; N89-H91 PolarHBondContact O-N 2.89Å; N89-H91 VanDerWaalsContact OD1-C 3.3Å; N89-H91 WeakPolarHBondContact OD1-CA 3.28Å; N89-H91 WeakPolarHBondContact OD1-CB 3.48Å; N89-H91 PolarHBondContact OD1-N 3.39Å; H91-F93 VanDerWaalsContact C-N 3.31Å; H91-F93 PolarHBondContact O-N 3.31Å; H91-E94 VanDerWaalsContact C-OE2 3.26Å; H91-E94 WeakPolarHBondContact CA-OE2 3.47Å; H91-E94 HydrophobicContact CB-CB 4.44Å; H91-E94 PolarHBondContact O-N 2.87Å; H91-V95 HydrophobicContact CB-CG2 3.86Å; H91-V95 WeakPolarHBondContact O-CB 3.37Å; H91-V95 VanDerWaalsContact O-CG2 3.29Å; H91-V95 WeakPolarHBondContact O-CG2 3.36Å; H91-V95 PolarHBondContact O-N 3.21Å
92F97.1Very high94.6Very high0 Ų049.4 Ų49.40%025%0.249CC..Hα-helixtrans-49.8-47.3-172.8-179.7-92.4000113.3W65 L71 I74 L87 N89 S96 I120 T149W65-F92 AromaticContact CE3-CD2 3.95Å; W65-F92 HydrophobicContact CE3-CD2 3.95Å; W65-F92 AromaticContact CE3-CE2 3.55Å; W65-F92 HydrophobicContact CE3-CE2 3.55Å; W65-F92 HydrophobicContact CE3-CZ 4.47Å; W65-F92 HydrophobicContact CH2-CD2 4.31Å; W65-F92 AromaticContact CZ3-CD2 3.76Å; W65-F92 HydrophobicContact CZ3-CD2 3.76Å; W65-F92 AromaticContact CZ3-CE2 3.55Å; W65-F92 HydrophobicContact CZ3-CE2 3.55Å; W65-F92 HydrophobicContact CZ3-CZ 4.26Å; L71-F92 HydrophobicContact CD2-CE2 4.19Å; L71-F92 HydrophobicContact CD2-CZ 3.64Å; I74-F92 HydrophobicContact CD1-CE2 4.22Å; L87-F92 HydrophobicContact CB-CB 4.17Å; L87-F92 HydrophobicContact CB-CD2 4.2Å; L87-F92 HydrophobicContact CB-CG 4.26Å; L87-F92 HydrophobicContact CD1-CB 3.73Å; L87-F92 HydrophobicContact CD1-CD1 3.78Å; L87-F92 HydrophobicContact CD1-CD2 4.34Å; L87-F92 HydrophobicContact CD1-CE1 4.46Å; L87-F92 HydrophobicContact CD1-CG 3.7Å; L87-F92 HydrophobicContact CG-CG 4.44Å; N89-F92 WeakPolarHBondContact O-CB 3.37Å; N89-F92 PolarHBondContact O-N 3.23Å; F92-S96 WeakPolarHBondContact O-CB 3.38Å; F92-S96 PolarHBondContact O-N 3.07Å; F92-S96 VanDerWaalsContact O-N 3.11Å; F92-S96 PolarHBondContact O-OG 2.85Å; F92-I120 HydrophobicContact CE1-CD1 4.46Å; F92-I120 HydrophobicContact CE1-CG2 4.3Å; F92-I120 HydrophobicContact CZ-CD1 4.18Å; F92-T149 HydrophobicContact CB-CG2 4.39Å
93F96.2Very high94.2Very high7 Ų744.2 Ų44.23%0.03121%0.213CC..Hα-helixtrans-75.2-38.2-175.9-63.2-65.1000112.3L87 H91 S96 T97 I117 I120 K121 T149 E152L87-F93 HydrophobicContact CD1-CE2 4.16Å; L87-F93 HydrophobicContact CD1-CZ 4.2Å; H91-F93 VanDerWaalsContact C-N 3.31Å; H91-F93 PolarHBondContact O-N 3.31Å; F93-S96 WeakPolarHBondContact CA-OG 3.4Å; F93-S96 PolarHBondContact O-OG 2.95Å; F93-S96 VanDerWaalsContact O-OG 3.13Å; F93-T97 VanDerWaalsContact O-CB 3.23Å; F93-T97 WeakPolarHBondContact O-CB 3.28Å; F93-T97 PolarHBondContact O-N 3.04Å; F93-T97 PolarHBondContact O-OG1 3.43Å; F93-I117 HydrophobicContact CD1-CG2 4.39Å; F93-I120 HydrophobicContact CE1-CG2 4.26Å; F93-I120 HydrophobicContact CZ-CG2 4.3Å; F93-K121 HydrophobicContact CD1-CB 4.04Å; F93-K121 HydrophobicContact CD1-CD 4.36Å; F93-K121 HydrophobicContact CD1-CG 4.21Å; F93-K121 HydrophobicContact CE1-CB 3.51Å; F93-K121 HydrophobicContact CE1-CG 3.96Å; F93-K121 HydrophobicContact CZ-CB 4.1Å; F93-K121 HydrophobicContact CZ-CG 4.29Å; F93-T149 HydrophobicContact CD2-CG2 4.21Å; F93-T149 HydrophobicContact CE2-CG2 4.05Å; F93-E152 HydrophobicContact CE2-CG 4.1Å
94E96Very high93.5Very high2 Ų237.8 Ų37.81%0.00920%0.196CC..Hα-helixtrans-70.1-48.4-178.9-61.693.1149.600111.1C6 M7 A10 H91 R98 S151C6-E94 WeakPolarHBondContact CB-OE1 3.46Å; M7-E94 HydrophobicContact CG-CG 4.28Å; M7-E94 VanDerWaalsContact SD-CA 3.59Å; M7-E94 HydrophobicContact SD-CB 3.55Å; M7-E94 VanDerWaalsContact SD-CB 3.55Å; M7-E94 HydrophobicContact SD-CG 3.65Å; A10-E94 HydrophobicContact CB-CB 3.34Å; A10-E94 HydrophobicContact CB-CG 4.04Å; H91-E94 VanDerWaalsContact C-OE2 3.26Å; H91-E94 WeakPolarHBondContact CA-OE2 3.47Å; H91-E94 HydrophobicContact CB-CB 4.44Å; H91-E94 PolarHBondContact O-N 2.87Å; E94-R98 VanDerWaalsContact O-CB 3.28Å; E94-R98 WeakPolarHBondContact O-CB 3.4Å; E94-R98 PolarHBondContact O-N 2.91Å; E94-S151 WeakPolarHBondContact OE1-CB 3.41Å; E94-S151 PolarHBondContact OE1-N 3.01Å
95V95.7Very high92.2Very high1 Ų145.1 Ų45.11%0.00624%0.235CC..Hα-helixtrans-63.5-47178.5174.10000110.3A10 Q13 L46 W65 H91 R98 L99A10-V95 HydrophobicContact CB-CG2 4.46Å; Q13-V95 HydrophobicContact CB-CG2 3.96Å; Q13-V95 HydrophobicContact CG-CG2 3.94Å; L46-V95 HydrophobicContact CD2-CG2 4.25Å; W65-V95 HydrophobicContact CH2-CG1 4.27Å; W65-V95 HydrophobicContact CZ2-CG1 4.04Å; H91-V95 HydrophobicContact CB-CG2 3.86Å; H91-V95 WeakPolarHBondContact O-CB 3.37Å; H91-V95 VanDerWaalsContact O-CG2 3.29Å; H91-V95 WeakPolarHBondContact O-CG2 3.36Å; H91-V95 PolarHBondContact O-N 3.21Å; V95-R98 PolarHBondContact O-N 3.42Å; V95-L99 HydrophobicContact CG1-CD1 3.71Å; V95-L99 HydrophobicContact CG1-CG 4.22Å; V95-L99 WeakPolarHBondContact O-CB 3.26Å; V95-L99 VanDerWaalsContact O-CG 3.25Å; V95-L99 WeakPolarHBondContact O-CG 3.36Å; V95-L99 PolarHBondContact O-N 3.48Å
96S95.2Very high91.1Very high0 Ų048 Ų480%025%0.249CC..Hα-helixtrans-64.5-45.1-178.962.90000112.1M66 F92 F93 R98 L99 L100M66-S96 WeakPolarHBondContact CE-O 3.33Å; F92-S96 WeakPolarHBondContact O-CB 3.38Å; F92-S96 PolarHBondContact O-N 3.07Å; F92-S96 VanDerWaalsContact O-N 3.11Å; F92-S96 PolarHBondContact O-OG 2.85Å; F93-S96 WeakPolarHBondContact CA-OG 3.4Å; F93-S96 PolarHBondContact O-OG 2.95Å; F93-S96 VanDerWaalsContact O-OG 3.13Å; S96-R98 VanDerWaalsContact C-N 3.34Å; S96-R98 PolarHBondContact O-N 3.03Å; S96-L99 PolarHBondContact O-N 2.92Å; S96-L100 WeakPolarHBondContact O-CB 3.39Å; S96-L100 VanDerWaalsContact O-CG 3.3Å; S96-L100 WeakPolarHBondContact O-CG 3.42Å; S96-L100 PolarHBondContact O-N 3.49Å
97T93.7Very high89.8Confident58 Ų5841.8 Ų41.836%0.35623%0.225SC..Hα-helixtrans-58.8-45.3175.1-59.60000111.3F93 N101F93-T97 VanDerWaalsContact O-CB 3.23Å; F93-T97 WeakPolarHBondContact O-CB 3.28Å; F93-T97 PolarHBondContact O-N 3.04Å; F93-T97 PolarHBondContact O-OG1 3.43Å; T97-N101 WeakPolarHBondContact O-CB 3.4Å; T97-N101 PolarHBondContact O-N 3.5Å; T97-N101 VanDerWaalsContact O-N 3.1Å; T97-N101 PolarHBondContact O-ND2 3.19Å
98R93.5Very high88.6Confident64 Ų6447.9 Ų47.924%0.24226%0.262CS..Hα-helixtrans-65.3-44.5-179.9-173.556.7155.1175.4-10.2112M7 E11 L46 E94 V95 S96 N101 L102M7-R98 HydrophobicContact CE-CB 4.47Å; E11-R98 IonicContact OE1-CZ 3.58Å; E11-R98 IonicContact OE1-NE 2.68Å; E11-R98 IonicContact OE1-NH2 3.69Å; E11-R98 PolarHBondContact OE1-NH2 3.49Å; L46-R98 HydrophobicContact CD1-CG 3.93Å; L46-R98 HydrophobicContact CD2-CB 3.95Å; L46-R98 HydrophobicContact CD2-CG 3.76Å; L46-R98 HydrophobicContact CG-CG 3.86Å; E94-R98 VanDerWaalsContact O-CB 3.28Å; E94-R98 WeakPolarHBondContact O-CB 3.4Å; E94-R98 PolarHBondContact O-N 2.91Å; V95-R98 PolarHBondContact O-N 3.42Å; S96-R98 VanDerWaalsContact C-N 3.34Å; S96-R98 PolarHBondContact O-N 3.03Å; R98-N101 PolarHBondContact O-N 3.36Å; R98-L102 HydrophobicContact CG-CD1 4.13Å; R98-L102 VanDerWaalsContact O-CG 3.28Å; R98-L102 WeakPolarHBondContact O-CG 3.44Å; R98-L102 PolarHBondContact O-N 2.83Å; R98-L102 VanDerWaalsContact O-N 3.11Å
99L93.7Very high88.1Confident0 Ų048.3 Ų48.30%026%0.261CS..Hα-helixtrans-65-43178.2-72.7176.8000112.1V15 L46 I60 L62 P63 M66 V95 S96 N101 L102 C103V15-L99 HydrophobicContact CG1-CD2 4.45Å; L46-L99 HydrophobicContact CD1-CD2 3.87Å; L46-L99 HydrophobicContact CD1-CG 4.34Å; I60-L99 HydrophobicContact CG2-CD2 3.68Å; L62-L99 HydrophobicContact CD2-CB 4.03Å; L62-L99 HydrophobicContact CD2-CD1 4.31Å; P63-L99 VanDerWaalsContact CD-CD1 3.44Å; P63-L99 HydrophobicContact CG-CD1 3.85Å; M66-L99 HydrophobicContact CE-CB 4.15Å; M66-L99 HydrophobicContact SD-CB 4.14Å; M66-L99 HydrophobicContact SD-CD1 3.84Å; V95-L99 HydrophobicContact CG1-CD1 3.71Å; V95-L99 HydrophobicContact CG1-CG 4.22Å; V95-L99 WeakPolarHBondContact O-CB 3.26Å; V95-L99 VanDerWaalsContact O-CG 3.25Å; V95-L99 WeakPolarHBondContact O-CG 3.36Å; V95-L99 PolarHBondContact O-N 3.48Å; S96-L99 PolarHBondContact O-N 2.92Å; L99-N101 VanDerWaalsContact C-N 3.3Å; L99-N101 PolarHBondContact O-N 2.96Å; L99-L102 PolarHBondContact O-N 3.19Å; L99-C103 WeakPolarHBondContact O-CB 3.24Å; L99-C103 PolarHBondContact O-N 3.36Å; L99-C103 PolarHBondContact O-SG 2.94Å
100L92.5Very high87.8Confident9 Ų948 Ų485%0.04726%0.259CS..Hα-helixtrans-58.9-43.5175.7-74.8168.8000111.5M66 S96 L102 C103 V104 N110 L113 K114 I117M66-L100 HydrophobicContact CE-CD1 4.16Å; M66-L100 HydrophobicContact CE-CD2 3.8Å; M66-L100 HydrophobicContact CE-CG 3.5Å; S96-L100 WeakPolarHBondContact O-CB 3.39Å; S96-L100 VanDerWaalsContact O-CG 3.3Å; S96-L100 WeakPolarHBondContact O-CG 3.42Å; S96-L100 PolarHBondContact O-N 3.49Å; L100-L102 VanDerWaalsContact C-N 3.31Å; L100-L102 PolarHBondContact O-N 3.36Å; L100-C103 PolarHBondContact O-N 2.89Å; L100-V104 WeakPolarHBondContact O-CG2 3.5Å; L100-V104 PolarHBondContact O-N 3.49Å; L100-V104 VanDerWaalsContact O-N 3.1Å; L100-N110 WeakPolarHBondContact CD2-ND2 3.39Å; L100-L113 HydrophobicContact CD2-CB 3.87Å; L100-L113 HydrophobicContact CD2-CD1 4.29Å; L100-K114 HydrophobicContact CD1-CB 4.4Å; L100-K114 HydrophobicContact CD1-CG 3.57Å; L100-K114 HydrophobicContact CD2-CG 4.27Å; L100-K114 HydrophobicContact CG-CG 4.33Å; L100-I117 HydrophobicContact CD1-CD1 3.58Å; L100-I117 HydrophobicContact CG-CD1 4.43Å
101N91.1Very high87.6Confident101 Ų10147.2 Ų47.254%0.5426%0.259SS..Hα-helixtrans-66.5-31178.5-71.4-22.6000113.1T97 R98 L99T97-N101 WeakPolarHBondContact O-CB 3.4Å; T97-N101 PolarHBondContact O-N 3.5Å; T97-N101 VanDerWaalsContact O-N 3.1Å; T97-N101 PolarHBondContact O-ND2 3.19Å; R98-N101 PolarHBondContact O-N 3.36Å; L99-N101 VanDerWaalsContact C-N 3.3Å; L99-N101 PolarHBondContact O-N 2.96Å
102L90.7Very high87.5Confident26 Ų2652 Ų5214%0.13628%0.276CS..Hα-helixtrans-82.2-30.8178.3-69.3169.7000113L46 A50 K53 I60 R98 L99 L100L46-L102 HydrophobicContact CD1-CD1 4.38Å; A50-L102 HydrophobicContact CB-CD1 3.74Å; A50-L102 HydrophobicContact CB-CD2 4Å; K53-L102 VanDerWaalsContact CE-O 3.28Å; K53-L102 WeakPolarHBondContact CE-O 3.36Å; K53-L102 HydrophobicContact CG-CB 4.38Å; K53-L102 HydrophobicContact CG-CD2 4.46Å; I60-L102 HydrophobicContact CD1-CB 3.84Å; I60-L102 HydrophobicContact CD1-CD1 3.8Å; I60-L102 HydrophobicContact CD1-CG 4.4Å; R98-L102 HydrophobicContact CG-CD1 4.13Å; R98-L102 VanDerWaalsContact O-CG 3.28Å; R98-L102 WeakPolarHBondContact O-CG 3.44Å; R98-L102 PolarHBondContact O-N 2.83Å; R98-L102 VanDerWaalsContact O-N 3.11Å; L99-L102 PolarHBondContact O-N 3.19Å; L100-L102 VanDerWaalsContact C-N 3.31Å; L100-L102 PolarHBondContact O-N 3.36Å
103C83.9Confident87.4Confident4 Ų452.4 Ų52.43%0.02728%0.278CS..SBendtrans-110.819.2-172.2-480000113.1L99 L100 L105 D106L99-C103 WeakPolarHBondContact O-CB 3.24Å; L99-C103 PolarHBondContact O-N 3.36Å; L99-C103 PolarHBondContact O-SG 2.94Å; L100-C103 PolarHBondContact O-N 2.89Å; C103-L105 PolarHBondContact O-N 3.32Å; C103-L105 VanDerWaalsContact O-N 3.09Å; C103-D106 HydrophobicContact CB-CB 4.34Å; C103-D106 PolarHBondContact O-N 3.49Å
104V78Confident87.3Confident63 Ų6355 Ų5538%0.38229%0.29SS..THydrogen-bonded Turntrans-50.5-38.7-177.9-179.20000112.2L100L100-V104 WeakPolarHBondContact O-CG2 3.5Å; L100-V104 PolarHBondContact O-N 3.49Å; L100-V104 VanDerWaalsContact O-N 3.1Å
105L69.1Low87.3Confident168 Ų16858.5 Ų58.588%0.8831%0.311SS*.THydrogen-bonded Turntrans-88.1-11.6-176-59.6176.4000114C103C103-L105 PolarHBondContact O-N 3.32Å; C103-L105 VanDerWaalsContact O-N 3.09Å
106D72.7Confident87.3Confident91 Ų9158.7 Ų58.749%0.48731%0.312SS..THydrogen-bonded Turntrans-94.4-24.4-172.2-56.8-25.5000112.4K53 C103K53-D106 WeakPolarHBondContact CE-OD2 3.47Å; K53-D106 VanDerWaalsContact NZ-CG 3.26Å; K53-D106 IonicContact NZ-OD1 3.91Å; K53-D106 PolarHBondContact NZ-OD1 3.5Å; K53-D106 VanDerWaalsContact NZ-OD1 3.12Å; K53-D106 IonicContact NZ-OD2 2.67Å; K53-D106 PolarHBondContact NZ-OD2 3.29Å; C103-D106 HydrophobicContact CB-CB 4.34Å; C103-D106 PolarHBondContact O-N 3.49Å
107A70Confident87.4Confident28 Ų2859 Ų5923%0.23131%0.314CS..  trans-106.8126.2-172.200000112D109 N110A107-D109 PolarHBondContact O-N 3.03Å; A107-N110 HydrophobicContact CB-CB 4.31Å
108V72.6Confident87.6Confident143 Ų14360.7 Ų60.787%0.86732%0.32SS*.THydrogen-bonded Turntrans-59.6-35.2178179.50000111.7
109D84.5Confident87.8Confident79 Ų7960.4 Ų60.442%0.42232%0.323SS..THydrogen-bonded Turntrans-113.633.1-173-66.1-46.6000113.5I68 A107 D111 R112 L113I68-D109 HydrophobicContact CD1-CB 3.63Å; A107-D109 PolarHBondContact O-N 3.03Å; D109-D111 PolarHBondContact O-N 3.49Å; D109-R112 HydrophobicContact CB-CB 4.38Å; D109-R112 PolarHBondContact O-N 3.13Å; D109-R112 VanDerWaalsContact O-N 3.12Å; D109-L113 PolarHBondContact O-N 3.19Å; D109-L113 VanDerWaalsContact O-N 3.09Å
110N87.6Confident88Confident10 Ų1060.4 Ų60.45%0.05332%0.323CS..Hα-helixtrans-55.2-37.4-177.6-168.3-94.9000113.1L100 A107 L113 K114L100-N110 WeakPolarHBondContact CD2-ND2 3.39Å; A107-N110 HydrophobicContact CB-CB 4.31Å; N110-L113 PolarHBondContact O-N 2.81Å; N110-K114 WeakPolarHBondContact O-CG 3.28Å; N110-K114 PolarHBondContact O-N 2.67Å; N110-K114 WeakPolarHBondContact OD1-CE 2.99Å; N110-K114 PolarHBondContact OD1-NZ 2.84Å
111D90.3Very high88.2Confident119 Ų11963.9 Ų63.964%0.63634%0.338SS*.Hα-helixtrans-68.8-40.2179.3-67.8-27.8000112.1D109 K114 T115D109-D111 PolarHBondContact O-N 3.49Å; D111-K114 WeakPolarHBondContact O-CB 3.42Å; D111-K114 PolarHBondContact O-N 2.68Å; D111-K114 IonicContact OD1-NZ 3.75Å; D111-T115 PolarHBondContact O-N 2.99Å; D111-T115 PolarHBondContact O-OG1 3.1Å; D111-T115 VanDerWaalsContact O-OG1 3.13Å
112R93.1Very high88.5Confident119 Ų11963.9 Ų63.945%0.44934%0.338SS..Hα-helixtrans-65.2-41.6176-176.2169.8177.7-173-0.2111.5I68 E72 D109 K114 T115 L116I68-R112 HydrophobicContact CG2-CG 4.45Å; E72-R112 IonicContact OE1-CZ 2.58Å; E72-R112 IonicContact OE1-NE 3.66Å; E72-R112 IonicContact OE1-NH2 3.12Å; E72-R112 PolarHBondContact OE1-NH2 2.8Å; E72-R112 IonicContact OE2-NH2 2.84Å; D109-R112 HydrophobicContact CB-CB 4.38Å; D109-R112 PolarHBondContact O-N 3.13Å; D109-R112 VanDerWaalsContact O-N 3.12Å; R112-K114 VanDerWaalsContact C-N 3.35Å; R112-K114 PolarHBondContact O-N 3.4Å; R112-T115 PolarHBondContact O-N 3.5Å; R112-L116 HydrophobicContact CG-CD1 4.25Å; R112-L116 WeakPolarHBondContact O-CG 3.23Å; R112-L116 PolarHBondContact O-N 3.06Å
113L94.2Very high88.9Confident8 Ų864.9 Ų64.94%0.04234%0.343CS..Hα-helixtrans-59.5-45.9174.3-67.8175000111.3L62 M66 I68 L71 L100 D109 N110 T115 L116 I117L62-L113 HydrophobicContact CD1-CD1 4.33Å; M66-L113 VanDerWaalsContact O-CD2 3.24Å; M66-L113 WeakPolarHBondContact O-CD2 3.34Å; I68-L113 HydrophobicContact CG1-CD2 3.63Å; I68-L113 HydrophobicContact CG1-CG 4.27Å; L71-L113 HydrophobicContact CD1-CD2 3.57Å; L100-L113 HydrophobicContact CD2-CB 3.87Å; L100-L113 HydrophobicContact CD2-CD1 4.29Å; D109-L113 PolarHBondContact O-N 3.19Å; D109-L113 VanDerWaalsContact O-N 3.09Å; N110-L113 PolarHBondContact O-N 2.81Å; L113-T115 PolarHBondContact O-N 3.12Å; L113-L116 PolarHBondContact O-N 3.4Å; L113-I117 WeakPolarHBondContact O-CD1 3.43Å; L113-I117 WeakPolarHBondContact O-CG1 3.32Å; L113-I117 PolarHBondContact O-N 3.34Å
114K94.5Very high89.5Confident62 Ų6264.7 Ų64.727%0.2734%0.342SS..Hα-helixtrans-57.2-48.9175.3-79.6165172.81600111.7L100 N110 D111 R112 L116 I117 L118L100-K114 HydrophobicContact CD1-CB 4.4Å; L100-K114 HydrophobicContact CD1-CG 3.57Å; L100-K114 HydrophobicContact CD2-CG 4.27Å; L100-K114 HydrophobicContact CG-CG 4.33Å; N110-K114 WeakPolarHBondContact O-CG 3.28Å; N110-K114 PolarHBondContact O-N 2.67Å; N110-K114 WeakPolarHBondContact OD1-CE 2.99Å; N110-K114 PolarHBondContact OD1-NZ 2.84Å; D111-K114 WeakPolarHBondContact O-CB 3.42Å; D111-K114 PolarHBondContact O-N 2.68Å; D111-K114 IonicContact OD1-NZ 3.75Å; R112-K114 VanDerWaalsContact C-N 3.35Å; R112-K114 PolarHBondContact O-N 3.4Å; K114-L116 PolarHBondContact O-N 3Å; K114-I117 PolarHBondContact O-N 3.03Å; K114-L118 WeakPolarHBondContact O-CG 3.32Å; K114-L118 PolarHBondContact O-N 3.43Å
115T95.7Very high90.4Very high76 Ų7663.9 Ų63.947%0.46634%0.335SS..Hα-helixtrans-59.5-47.6178.7-59.90000111.3D111 R112 L113 I117 L118 D119D111-T115 PolarHBondContact O-N 2.99Å; D111-T115 PolarHBondContact O-OG1 3.1Å; D111-T115 VanDerWaalsContact O-OG1 3.13Å; R112-T115 PolarHBondContact O-N 3.5Å; L113-T115 PolarHBondContact O-N 3.12Å; T115-I117 VanDerWaalsContact C-N 3.33Å; T115-I117 PolarHBondContact O-N 3.01Å; T115-L118 PolarHBondContact O-N 3.5Å; T115-D119 WeakPolarHBondContact O-CB 3.16Å; T115-D119 VanDerWaalsContact O-CG 3.22Å; T115-D119 PolarHBondContact O-N 3.48Å
116L97.3Very high91.7Very high5 Ų558.5 Ų58.53%0.02632%0.315CS..Hα-helixtrans-60.7-41.2179.2-72.2170.5000112.8I68 L71 E72 R112 L113 K114 D119 I120I68-L116 HydrophobicContact CG2-CD1 3.94Å; L71-L116 HydrophobicContact CB-CB 4.08Å; L71-L116 HydrophobicContact CB-CD1 3.92Å; L71-L116 HydrophobicContact CD1-CB 4.34Å; E72-L116 HydrophobicContact CG-CD1 3.94Å; E72-L116 HydrophobicContact CG-CD2 3.78Å; R112-L116 HydrophobicContact CG-CD1 4.25Å; R112-L116 WeakPolarHBondContact O-CG 3.23Å; R112-L116 PolarHBondContact O-N 3.06Å; L113-L116 PolarHBondContact O-N 3.4Å; K114-L116 PolarHBondContact O-N 3Å; L116-D119 PolarHBondContact O-N 2.98Å; L116-I120 WeakPolarHBondContact O-CD1 3.49Å; L116-I120 VanDerWaalsContact O-CG1 3.24Å; L116-I120 WeakPolarHBondContact O-CG1 3.37Å; L116-I120 PolarHBondContact O-N 2.75Å
117I96.9Very high92.8Very high7 Ų756 Ų564%0.03630%0.299CS..Hα-helixtrans-66.4-40.3177.7-72.1157.6000111.3M66 L71 F93 L100 L113 K114 T115 K121M66-I117 HydrophobicContact CE-CD1 3.96Å; L71-I117 HydrophobicContact CD1-CD1 4.32Å; L71-I117 HydrophobicContact CD1-CG1 4.14Å; L71-I117 HydrophobicContact CD2-CG1 4.21Å; F93-I117 HydrophobicContact CD1-CG2 4.39Å; L100-I117 HydrophobicContact CD1-CD1 3.58Å; L100-I117 HydrophobicContact CG-CD1 4.43Å; L113-I117 WeakPolarHBondContact O-CD1 3.43Å; L113-I117 WeakPolarHBondContact O-CG1 3.32Å; L113-I117 PolarHBondContact O-N 3.34Å; K114-I117 PolarHBondContact O-N 3.03Å; T115-I117 VanDerWaalsContact C-N 3.33Å; T115-I117 PolarHBondContact O-N 3.01Å; I117-K121 WeakPolarHBondContact O-CB 3.2Å; I117-K121 PolarHBondContact O-N 2.7Å
118L97.1Very high94Very high93 Ų9354.8 Ų54.849%0.48729%0.289SS..Hα-helixtrans-65.6-43.7175.2-70.6173000111.4K114 T115 I120 K121 D122K114-L118 WeakPolarHBondContact O-CG 3.32Å; K114-L118 PolarHBondContact O-N 3.43Å; T115-L118 PolarHBondContact O-N 3.5Å; L118-I120 VanDerWaalsContact C-N 3.34Å; L118-I120 PolarHBondContact O-N 3.4Å; L118-K121 WeakPolarHBondContact O-CB 3.41Å; L118-K121 PolarHBondContact O-N 3.3Å; L118-K121 VanDerWaalsContact O-N 3.12Å; L118-D122 WeakPolarHBondContact O-CB 3.13Å; L118-D122 PolarHBondContact O-N 2.84Å
119D98Very high95Very high57 Ų5753.8 Ų53.831%0.30527%0.273SS..Hα-helixtrans-58.5-45.3176.3-69.8-12.6000111.5T115 L116 K121 D122 L123T115-D119 WeakPolarHBondContact O-CB 3.16Å; T115-D119 VanDerWaalsContact O-CG 3.22Å; T115-D119 PolarHBondContact O-N 3.48Å; L116-D119 PolarHBondContact O-N 2.98Å; D119-K121 VanDerWaalsContact C-N 3.34Å; D119-K121 PolarHBondContact O-N 2.77Å; D119-D122 PolarHBondContact O-N 3.4Å; D119-L123 WeakPolarHBondContact O-CB 3.44Å; D119-L123 VanDerWaalsContact O-CG 3.27Å; D119-L123 WeakPolarHBondContact O-CG 3.42Å; D119-L123 PolarHBondContact O-N 3.4Å
120I98.2Very high95.4Very high0 Ų053.5 Ų53.50%027%0.274CS..Hα-helixtrans-61.1-44.8175.9-68.4162.1000110.3L71 I74 R75 F92 F93 L116 L118 D122 L123 R124L71-I120 HydrophobicContact CD2-CD1 4.06Å; I74-I120 HydrophobicContact CB-CD1 4.24Å; I74-I120 HydrophobicContact CG2-CD1 3.86Å; I74-I120 HydrophobicContact CG2-CG1 4.36Å; I74-I120 HydrophobicContact CG2-CG2 4.4Å; R75-I120 HydrophobicContact CB-CD1 4.37Å; R75-I120 HydrophobicContact CB-CG1 3.82Å; R75-I120 HydrophobicContact CG-CG1 4.35Å; F92-I120 HydrophobicContact CE1-CD1 4.46Å; F92-I120 HydrophobicContact CE1-CG2 4.3Å; F92-I120 HydrophobicContact CZ-CD1 4.18Å; F93-I120 HydrophobicContact CE1-CG2 4.26Å; F93-I120 HydrophobicContact CZ-CG2 4.3Å; L116-I120 WeakPolarHBondContact O-CD1 3.49Å; L116-I120 VanDerWaalsContact O-CG1 3.24Å; L116-I120 WeakPolarHBondContact O-CG1 3.37Å; L116-I120 PolarHBondContact O-N 2.75Å; L118-I120 VanDerWaalsContact C-N 3.34Å; L118-I120 PolarHBondContact O-N 3.4Å; I120-D122 VanDerWaalsContact C-N 3.34Å; I120-D122 PolarHBondContact O-N 2.7Å; I120-L123 PolarHBondContact O-N 2.87Å; I120-R124 WeakPolarHBondContact O-CB 3.46Å; I120-R124 VanDerWaalsContact O-CG 3.28Å; I120-R124 WeakPolarHBondContact O-CG 3.14Å; I120-R124 PolarHBondContact O-N 2.73Å
121K97.4Very high95.7Very high83 Ų8354.4 Ų54.436%0.36128%0.281SS..Hα-helixtrans-60.9-44.2178.8-171.5178177.6179.60111.5F93 I117 L118 D119 R124 M125F93-K121 HydrophobicContact CD1-CB 4.04Å; F93-K121 HydrophobicContact CD1-CD 4.36Å; F93-K121 HydrophobicContact CD1-CG 4.21Å; F93-K121 HydrophobicContact CE1-CB 3.51Å; F93-K121 HydrophobicContact CE1-CG 3.96Å; F93-K121 HydrophobicContact CZ-CB 4.1Å; F93-K121 HydrophobicContact CZ-CG 4.29Å; I117-K121 WeakPolarHBondContact O-CB 3.2Å; I117-K121 PolarHBondContact O-N 2.7Å; L118-K121 WeakPolarHBondContact O-CB 3.41Å; L118-K121 PolarHBondContact O-N 3.3Å; L118-K121 VanDerWaalsContact O-N 3.12Å; D119-K121 VanDerWaalsContact C-N 3.34Å; D119-K121 PolarHBondContact O-N 2.77Å; K121-R124 PolarHBondContact O-N 3.09Å; K121-M125 VanDerWaalsContact O-CB 3.28Å; K121-M125 WeakPolarHBondContact O-CB 3.41Å; K121-M125 PolarHBondContact O-N 2.95Å
122D97.8Very high95.7Very high101 Ų10149.5 Ų49.554%0.5426%0.255SS..Hα-helixtrans-70.3-41.6-178.1-71.5-17.5000111.7L118 D119 I120 R124 M125 A126L118-D122 WeakPolarHBondContact O-CB 3.13Å; L118-D122 PolarHBondContact O-N 2.84Å; D119-D122 PolarHBondContact O-N 3.4Å; I120-D122 VanDerWaalsContact C-N 3.34Å; I120-D122 PolarHBondContact O-N 2.7Å; D122-R124 VanDerWaalsContact C-N 3.31Å; D122-R124 PolarHBondContact O-N 2.09Å; D122-M125 PolarHBondContact O-N 3.15Å; D122-A126 WeakPolarHBondContact O-CB 2.93Å; D122-A126 PolarHBondContact O-N 3.28Å
123L97.8Very high95.6Very high46 Ų4649.4 Ų49.424%0.24126%0.26CS..Hα-helixtrans-57-45.8173.1-76.9171.8000111.5R75 R79 D119 I120 A126 K127R75-L123 HydrophobicContact CG-CD1 3.83Å; R79-L123 HydrophobicContact CB-CD1 4.26Å; D119-L123 WeakPolarHBondContact O-CB 3.44Å; D119-L123 VanDerWaalsContact O-CG 3.27Å; D119-L123 WeakPolarHBondContact O-CG 3.42Å; D119-L123 PolarHBondContact O-N 3.4Å; I120-L123 PolarHBondContact O-N 2.87Å; L123-A126 PolarHBondContact O-N 3.16Å; L123-K127 WeakPolarHBondContact O-CB 3.48Å; L123-K127 PolarHBondContact O-N 3.27Å
124R97.8Very high95.4Very high0 Ų055.3 Ų55.30%029%0.287CS..Hα-helixtrans-73.2-37.4-178.6-67.6179.15997.9-0.5112.2E78 F84 T85 I120 K121 D122 K127 L128 N147 E152E78-R124 VanDerWaalsContact CD-CG 3.5Å; E78-R124 HydrophobicContact CG-CG 3.53Å; E78-R124 IonicContact OE1-NH1 2.7Å; E78-R124 IonicContact OE2-CZ 3.51Å; E78-R124 IonicContact OE2-NH1 3.4Å; E78-R124 PolarHBondContact OE2-NH1 2.9Å; F84-R124 HydrophobicContact CD1-CG 4.49Å; F84-R124 HydrophobicContact CE1-CB 4.22Å; F84-R124 WeakPolarHBondContact CE1-O 3.27Å; T85-R124 PolarHBondContact O-NH1 3.38Å; I120-R124 WeakPolarHBondContact O-CB 3.46Å; I120-R124 VanDerWaalsContact O-CG 3.28Å; I120-R124 WeakPolarHBondContact O-CG 3.14Å; I120-R124 PolarHBondContact O-N 2.73Å; K121-R124 PolarHBondContact O-N 3.09Å; D122-R124 VanDerWaalsContact C-N 3.31Å; D122-R124 PolarHBondContact O-N 2.09Å; R124-K127 PolarHBondContact O-N 2.99Å; R124-L128 VanDerWaalsContact O-CB 3.29Å; R124-L128 WeakPolarHBondContact O-CB 3.49Å; R124-L128 PolarHBondContact O-N 2.75Å; R124-N147 PolarHBondContact NH2-O 3.34Å; R124-E152 WeakPolarHBondContact CB-OE1 3.4Å; R124-E152 IonicContact CZ-OE1 3.71Å; R124-E152 IonicContact CZ-OE2 3.55Å; R124-E152 IonicContact NE-OE1 3.62Å; R124-E152 PolarHBondContact NE-OE1 3.43Å; R124-E152 IonicContact NE-OE2 3.97Å; R124-E152 IonicContact NH2-OE1 2.87Å; R124-E152 PolarHBondContact NH2-OE1 3.02Å; R124-E152 IonicContact NH2-OE2 2.85Å; R124-E152 PolarHBondContact NH2-OE2 2.85Å
125M95.9Very high95.2Very high47 Ų4754.2 Ų54.223%0.23228%0.282CS..Hα-helixtrans-62-42.3172.4-178.258.362.600111.7K121 D122 L128 K129 S155K121-M125 VanDerWaalsContact O-CB 3.28Å; K121-M125 WeakPolarHBondContact O-CB 3.41Å; K121-M125 PolarHBondContact O-N 2.95Å; D122-M125 PolarHBondContact O-N 3.15Å; M125-L128 PolarHBondContact O-N 3.09Å; M125-K129 WeakPolarHBondContact O-CG 3.39Å; M125-K129 PolarHBondContact O-N 3.43Å; M125-S155 WeakPolarHBondContact CE-OG 3.17Å
126A96.4Very high94.7Very high55 Ų5554 Ų5446%0.45528%0.278SS..Hα-helixtrans-62-45.8175.100000111.5D122 L123 L128 K129 V130D122-A126 WeakPolarHBondContact O-CB 2.93Å; D122-A126 PolarHBondContact O-N 3.28Å; L123-A126 PolarHBondContact O-N 3.16Å; A126-L128 VanDerWaalsContact C-N 3.3Å; A126-L128 PolarHBondContact O-N 2.89Å; A126-K129 PolarHBondContact O-N 3.42Å; A126-V130 PolarHBondContact O-N 3.45Å
127K96Very high94.2Very high39 Ų3960.5 Ų60.517%0.1731%0.311CS..Hα-helixtrans-60.7-38.7175-170.7176.8-64.2-179.80112.3E78 S81 R83 F84 L123 R124 V130 S131E78-K127 PolarHBondContact O-NZ 3.02Å; E78-K127 WeakPolarHBondContact OE1-CE 2.98Å; E78-K127 IonicContact OE1-NZ 3.55Å; E78-K127 PolarHBondContact OE1-NZ 3.21Å; S81-K127 PolarHBondContact O-NZ 3.33Å; R83-K127 PolarHBondContact O-NZ 3.15Å; R83-K127 VanDerWaalsContact O-NZ 3.1Å; F84-K127 HydrophobicContact CD1-CD 4.02Å; F84-K127 HydrophobicContact CD2-CD 4.32Å; F84-K127 HydrophobicContact CE1-CB 4.02Å; F84-K127 HydrophobicContact CE1-CD 4Å; F84-K127 HydrophobicContact CE1-CG 4.06Å; F84-K127 HydrophobicContact CE2-CD 4.27Å; F84-K127 HydrophobicContact CE2-CG 4.13Å; F84-K127 HydrophobicContact CG-CD 4.19Å; F84-K127 HydrophobicContact CZ-CB 4.01Å; F84-K127 HydrophobicContact CZ-CD 4.11Å; F84-K127 HydrophobicContact CZ-CG 3.81Å; L123-K127 WeakPolarHBondContact O-CB 3.48Å; L123-K127 PolarHBondContact O-N 3.27Å; R124-K127 PolarHBondContact O-N 2.99Å; K127-V130 PolarHBondContact O-N 3.45Å; K127-S131 WeakPolarHBondContact O-CB 3.38Å; K127-S131 PolarHBondContact O-N 3.45Å
128L95.4Very high93.7Very high2 Ų263.2 Ų63.21%0.0133%0.331CS..Hα-helixtrans-66.5-40.8178.8-171.959.1000112.2F84 R124 M125 A126 S131 V132 L148 E152 I156F84-L128 HydrophobicContact CE1-CB 4.39Å; F84-L128 HydrophobicContact CE2-CD1 4.46Å; F84-L128 HydrophobicContact CZ-CB 3.87Å; F84-L128 HydrophobicContact CZ-CD1 3.98Å; R124-L128 VanDerWaalsContact O-CB 3.29Å; R124-L128 WeakPolarHBondContact O-CB 3.49Å; R124-L128 PolarHBondContact O-N 2.75Å; M125-L128 PolarHBondContact O-N 3.09Å; A126-L128 VanDerWaalsContact C-N 3.3Å; A126-L128 PolarHBondContact O-N 2.89Å; L128-S131 PolarHBondContact O-N 3.38Å; L128-V132 WeakPolarHBondContact O-CB 3.47Å; L128-V132 WeakPolarHBondContact O-CG2 3.49Å; L128-V132 PolarHBondContact O-N 2.85Å; L128-L148 HydrophobicContact CD1-CD1 4.03Å; L128-L148 HydrophobicContact CD1-CD2 4.05Å; L128-E152 HydrophobicContact CD2-CB 4.29Å; L128-I156 HydrophobicContact CD1-CD1 3.76Å; L128-I156 HydrophobicContact CD2-CB 4.46Å; L128-I156 HydrophobicContact CD2-CD1 3.87Å; L128-I156 HydrophobicContact CD2-CG1 4.1Å; L128-I156 HydrophobicContact CD2-CG2 3.56Å; L128-I156 HydrophobicContact CG-CD1 3.98Å; L128-I156 HydrophobicContact CG-CG2 4.04Å
129K93.6Very high92.8Very high122 Ų12266.5 Ų66.553%0.5335%0.349SS..Hα-helixtrans-60-48.4174.7-72.1173.5-179.4-178.70111.6M125 A126 S131 V132 E133M125-K129 WeakPolarHBondContact O-CG 3.39Å; M125-K129 PolarHBondContact O-N 3.43Å; A126-K129 PolarHBondContact O-N 3.42Å; K129-S131 VanDerWaalsContact C-N 3.35Å; K129-S131 PolarHBondContact O-N 3.38Å; K129-V132 PolarHBondContact O-N 2.96Å; K129-E133 WeakPolarHBondContact O-CG 3.49Å; K129-E133 PolarHBondContact O-N 2.83Å
130V93.4Very high92Very high73 Ų7366 Ų6644%0.44235%0.35SS..Hα-helixtrans-59.2-46.7176.6175.60000110.9A126 K127 V132 E133 E134A126-V130 PolarHBondContact O-N 3.45Å; K127-V130 PolarHBondContact O-N 3.45Å; V130-V132 VanDerWaalsContact C-N 3.27Å; V130-V132 PolarHBondContact O-N 3.02Å; V130-E133 PolarHBondContact O-N 2.93Å; V130-E134 HydrophobicContact CG1-CG 4.38Å; V130-E134 WeakPolarHBondContact O-CG 3.29Å; V130-E134 PolarHBondContact O-N 2.88Å
131S92.6Very high91.1Very high28 Ų2871.3 Ų71.320%0.19639%0.394CS..Hα-helixtrans-61.5-35.1178.2-178.50000113K127 L128 K129 F135K127-S131 WeakPolarHBondContact O-CB 3.38Å; K127-S131 PolarHBondContact O-N 3.45Å; L128-S131 PolarHBondContact O-N 3.38Å; K129-S131 VanDerWaalsContact C-N 3.35Å; K129-S131 PolarHBondContact O-N 3.38Å; S131-F135 WeakPolarHBondContact O-CB 3.48Å; S131-F135 PolarHBondContact O-N 3.08Å; S131-F135 VanDerWaalsContact O-N 3.14Å
132V91.6Very high90.4Very high16 Ų1674.2 Ų74.210%0.09741%0.409CS..Hα-helixtrans-71.8-43176163.70000111.2L128 K129 V130 F135 L136 I156 F159 L160L128-V132 WeakPolarHBondContact O-CB 3.47Å; L128-V132 WeakPolarHBondContact O-CG2 3.49Å; L128-V132 PolarHBondContact O-N 2.85Å; K129-V132 PolarHBondContact O-N 2.96Å; V130-V132 VanDerWaalsContact C-N 3.27Å; V130-V132 PolarHBondContact O-N 3.02Å; V132-F135 WeakPolarHBondContact O-CB 3.29Å; V132-F135 PolarHBondContact O-N 3.4Å; V132-L136 HydrophobicContact CG1-CD1 3.94Å; V132-L136 HydrophobicContact CG1-CG 4.36Å; V132-L136 WeakPolarHBondContact O-CG 3.28Å; V132-L136 PolarHBondContact O-N 3.44Å; V132-I156 HydrophobicContact CG2-CD1 4.19Å; V132-F159 HydrophobicContact CG1-CE1 4.28Å; V132-L160 HydrophobicContact CG1-CD2 3.68Å; V132-L160 HydrophobicContact CG2-CD1 4.26Å; V132-L160 HydrophobicContact CG2-CD2 4.38Å
133E90.4Very high89.8Confident118 Ų11871.6 Ų71.655%0.55140%0.401SS*.Hα-helixtrans-61.4-47.6176.7-74.1172.3-168.300111.5K129 V130 F135 L136 I137K129-E133 WeakPolarHBondContact O-CG 3.49Å; K129-E133 PolarHBondContact O-N 2.83Å; V130-E133 PolarHBondContact O-N 2.93Å; E133-F135 VanDerWaalsContact C-N 3.28Å; E133-F135 PolarHBondContact O-N 3.43Å; E133-L136 PolarHBondContact O-N 3.4Å; E133-I137 WeakPolarHBondContact O-CD1 3.3Å; E133-I137 VanDerWaalsContact O-CG1 3.29Å; E133-I137 WeakPolarHBondContact O-CG1 3.38Å; E133-I137 PolarHBondContact O-N 3.3Å
134E90.6Very high89.3Confident131 Ų13173 Ų7361%0.61242%0.419SS*.Hα-helixtrans-57.8-42174.9-73.2177.4176.300111.6V130 I137 S138V130-E134 HydrophobicContact CG1-CG 4.38Å; V130-E134 WeakPolarHBondContact O-CG 3.29Å; V130-E134 PolarHBondContact O-N 2.88Å; E134-I137 PolarHBondContact O-N 3.32Å; E134-S138 VanDerWaalsContact O-CB 3.3Å; E134-S138 WeakPolarHBondContact O-CB 3.49Å; E134-S138 PolarHBondContact O-N 2.87Å; E134-S138 PolarHBondContact O-OG 2.64Å
135F89.3Confident88.9Confident39 Ų3975.4 Ų75.417%0.17143%0.434CS..Hα-helixtrans-62.4-50.1176.6171.1-115.1000112S131 V132 E133 I137 S138 S140 A143 L164S131-F135 WeakPolarHBondContact O-CB 3.48Å; S131-F135 PolarHBondContact O-N 3.08Å; S131-F135 VanDerWaalsContact O-N 3.14Å; V132-F135 WeakPolarHBondContact O-CB 3.29Å; V132-F135 PolarHBondContact O-N 3.4Å; E133-F135 VanDerWaalsContact C-N 3.28Å; E133-F135 PolarHBondContact O-N 3.43Å; F135-I137 PolarHBondContact O-N 3.22Å; F135-S138 PolarHBondContact O-N 3.1Å; F135-S138 VanDerWaalsContact O-N 3.12Å; F135-S138 PolarHBondContact O-OG 3.09Å; F135-S140 WeakPolarHBondContact CD2-OG 3.34Å; F135-S140 WeakPolarHBondContact CE2-O 3.39Å; F135-S140 WeakPolarHBondContact CE2-OG 3.33Å; F135-A143 HydrophobicContact CB-CB 4.32Å; F135-A143 HydrophobicContact CD2-CB 3.41Å; F135-A143 VanDerWaalsContact CD2-CB 3.41Å; F135-A143 HydrophobicContact CE2-CB 3.83Å; F135-A143 HydrophobicContact CG-CB 3.92Å; F135-L164 HydrophobicContact CE1-CD1 4.4Å; F135-L164 HydrophobicContact CE1-CD2 4.49Å
136L85.8Confident88.8Confident71 Ų7178.7 Ų78.737%0.37245%0.452SS..Hα-helixtrans-61.7-29.9-179.3-70.1173.1000112.7V132 E133 L164 L167V132-L136 HydrophobicContact CG1-CD1 3.94Å; V132-L136 HydrophobicContact CG1-CG 4.36Å; V132-L136 WeakPolarHBondContact O-CG 3.28Å; V132-L136 PolarHBondContact O-N 3.44Å; E133-L136 PolarHBondContact O-N 3.4Å; L136-L164 HydrophobicContact CD2-CD2 3.64Å; L136-L167 HydrophobicContact CD2-CD1 4.22Å
137I86.6Confident88.8Confident142 Ų14279.6 Ų79.673%0.72845%0.449SS*.Hα-helixtrans-80.6-31.4177.1-65.7166000112E133 E134 F135 D139E133-I137 WeakPolarHBondContact O-CD1 3.3Å; E133-I137 VanDerWaalsContact O-CG1 3.29Å; E133-I137 WeakPolarHBondContact O-CG1 3.38Å; E133-I137 PolarHBondContact O-N 3.3Å; E134-I137 PolarHBondContact O-N 3.32Å; F135-I137 PolarHBondContact O-N 3.22Å; I137-D139 PolarHBondContact O-N 3.43Å; I137-D139 VanDerWaalsContact O-N 3.08Å
138S86.7Confident88.7Confident65 Ų6579.6 Ų79.646%0.45545%0.451SS..THydrogen-bonded Turntrans-69.6-3.3-170.667.60000116.3E134 F135 S140E134-S138 VanDerWaalsContact O-CB 3.3Å; E134-S138 WeakPolarHBondContact O-CB 3.49Å; E134-S138 PolarHBondContact O-N 2.87Å; E134-S138 PolarHBondContact O-OG 2.64Å; F135-S138 PolarHBondContact O-N 3.1Å; F135-S138 VanDerWaalsContact O-N 3.12Å; F135-S138 PolarHBondContact O-OG 3.09Å; S138-S140 PolarHBondContact O-N 3.36Å; S138-S140 WeakPolarHBondContact OG-CB 3.37Å; S138-S140 PolarHBondContact OG-OG 3.44Å
139D77.3Confident88.7Confident161 Ų16179.7 Ų79.786%0.86145%0.452SS*.THydrogen-bonded Turntrans48.422.8-171.7-160.534.7000113.5I137I137-D139 PolarHBondContact O-N 3.43Å; I137-D139 VanDerWaalsContact O-N 3.08Å
140S80.8Confident88.6Confident47 Ų4776.5 Ų76.533%0.32944%0.439SS..  trans-87.8137.9-177.4680000110.4F135 S138 H142F135-S140 WeakPolarHBondContact CD2-OG 3.34Å; F135-S140 WeakPolarHBondContact CE2-O 3.39Å; F135-S140 WeakPolarHBondContact CE2-OG 3.33Å; S138-S140 PolarHBondContact O-N 3.36Å; S138-S140 WeakPolarHBondContact OG-CB 3.37Å; S138-S140 PolarHBondContact OG-OG 3.44Å; S140-H142 PolarHBondContact O-N 3.35Å
141A80.2Confident88.6Confident112 Ų11273.6 Ų73.693%0.92642%0.423SS*.SBendtrans-75.9-8.5174.100000112.9
142H83.3Confident88.7Confident143 Ų14372.6 Ų72.666%0.66242%0.415SS*.  trans-147.3127.5-171179.572.4000112.2S140S140-H142 PolarHBondContact O-N 3.35Å
143A85.4Confident88.8Confident46 Ų4675.5 Ų75.538%0.3843%0.429SS..  trans-121.8126.7165.100000110.3F135F135-A143 HydrophobicContact CB-CB 4.32Å; F135-A143 HydrophobicContact CD2-CB 3.41Å; F135-A143 VanDerWaalsContact CD2-CB 3.41Å; F135-A143 HydrophobicContact CE2-CB 3.83Å; F135-A143 HydrophobicContact CG-CB 3.92Å
144A85.4Confident88.9Confident75 Ų7570.6 Ų70.662%0.6241%0.407SS*.  trans-95105.9172.200000109.6
145V90.5Very high88.9Confident51 Ų5167.1 Ų67.131%0.30940%0.398SS..  trans-112.8108.5175.2-1690000109F84 L148F84-V145 HydrophobicContact CD2-CG1 3.61Å; F84-V145 HydrophobicContact CE2-CG1 3.58Å; V145-L148 HydrophobicContact CB-CD1 4.08Å; V145-L148 HydrophobicContact CG1-CD1 3.71Å; V145-L148 HydrophobicContact CG1-CD2 4.13Å; V145-L148 HydrophobicContact CG1-CG 3.81Å
146N93.5Very high88.9Confident116 Ų11666.8 Ų66.862%0.6240%0.397SS*.  trans-89162.9179.8-64.1-31.2000111.3L148N146-L148 VanDerWaalsContact C-N 3.28Å; N146-L148 PolarHBondContact O-N 3.22Å
147N95.8Very high89.2Confident74 Ų7469.4 Ų69.440%0.39640%0.402SS..SBendtrans63.922.3172.2-54.4-32.1000115.7F84 R124F84-N147 HydrophobicContact CB-CB 4.06Å; F84-N147 PolarHBondContact O-ND2 3.31Å; R124-N147 PolarHBondContact NH2-O 3.34Å
148L95.5Very high89.2Confident39 Ų3968.6 Ų68.620%0.20440%0.396CS..  trans-78142.8168.2-64.1180000110.8F84 L128 V145 N146 E152 I153F84-L148 HydrophobicContact CD1-CD2 3.77Å; F84-L148 HydrophobicContact CD2-CD2 3.9Å; F84-L148 HydrophobicContact CE1-CD2 3.65Å; F84-L148 HydrophobicContact CE2-CD2 3.83Å; F84-L148 HydrophobicContact CG-CD2 3.87Å; F84-L148 HydrophobicContact CZ-CD2 3.68Å; L128-L148 HydrophobicContact CD1-CD1 4.03Å; L128-L148 HydrophobicContact CD1-CD2 4.05Å; V145-L148 HydrophobicContact CB-CD1 4.08Å; V145-L148 HydrophobicContact CG1-CD1 3.71Å; V145-L148 HydrophobicContact CG1-CD2 4.13Å; V145-L148 HydrophobicContact CG1-CG 3.81Å; N146-L148 VanDerWaalsContact C-N 3.28Å; N146-L148 PolarHBondContact O-N 3.22Å; L148-E152 HydrophobicContact CD2-CB 4.46Å; L148-I153 HydrophobicContact CB-CD1 4.25Å; L148-I153 HydrophobicContact CB-CG1 3.94Å; L148-I153 HydrophobicContact CD1-CG1 4.22Å
149T94.6Very high89.3Confident4 Ų471.8 Ų71.83%0.02540%0.401CS..  trans-80.2162.1170.259.80000111.2L87 E90 F92 F93 S151 E152 I153L87-T149 HydrophobicContact CD1-CG2 3.57Å; E90-T149 WeakPolarHBondContact O-CB 3.49Å; F92-T149 HydrophobicContact CB-CG2 4.39Å; F93-T149 HydrophobicContact CD2-CG2 4.21Å; F93-T149 HydrophobicContact CE2-CG2 4.05Å; T149-S151 VanDerWaalsContact C-N 3.34Å; T149-S151 PolarHBondContact O-N 2.92Å; T149-E152 PolarHBondContact N-OE2 3.46Å; T149-E152 PolarHBondContact O-N 3.14Å; T149-E152 VanDerWaalsContact O-N 3.15Å; T149-E152 WeakPolarHBondContact OG1-CG 3.45Å; T149-E152 PolarHBondContact OG1-N 3.37Å; T149-E152 PolarHBondContact OG1-OE2 2.9Å; T149-I153 PolarHBondContact O-N 3.21Å; T149-I153 VanDerWaalsContact O-N 3.16Å
150M92.1Very high89.9Confident55 Ų5565.7 Ų65.727%0.27137%0.369SS..Hα-helixtrans-57.5-46.9176.8-163.865.1-177.200111.8M1 C6 E152 I153 C154M1-M150 HydrophobicContact CE-CE 3.53Å; M1-M150 HydrophobicContact CE-CG 4.07Å; M1-M150 HydrophobicContact SD-CE 3.13Å; M1-M150 WeakPolarHBondContact SD-CE 3.47Å; C6-M150 HydrophobicContact CB-CG 4.38Å; M150-E152 VanDerWaalsContact C-N 3.26Å; M150-E152 PolarHBondContact O-N 3.28Å; M150-I153 PolarHBondContact O-N 2.93Å; M150-C154 WeakPolarHBondContact O-CB 3.48Å; M150-C154 PolarHBondContact O-N 3.32Å; M150-C154 PolarHBondContact O-SG 2.73Å
151S92.4Very high90.3Very high13 Ų1366.8 Ų66.89%0.09138%0.376CS..Hα-helixtrans-58.5-35.6177.7-175.60000113.2E94 T149 S155E94-S151 WeakPolarHBondContact OE1-CB 3.41Å; E94-S151 PolarHBondContact OE1-N 3.01Å; T149-S151 VanDerWaalsContact C-N 3.34Å; T149-S151 PolarHBondContact O-N 2.92Å; S151-S155 WeakPolarHBondContact O-CB 3.49Å; S151-S155 PolarHBondContact O-N 2.95Å; S151-S155 VanDerWaalsContact O-N 3.09Å
152E94.8Very high90.9Very high7 Ų766.4 Ų66.43%0.03336%0.355CS..Hα-helixtrans-68.3-47.6179-74165150.500110.7F93 R124 L128 L148 T149 M150 C154 S155 I156F93-E152 HydrophobicContact CE2-CG 4.1Å; R124-E152 WeakPolarHBondContact CB-OE1 3.4Å; R124-E152 IonicContact CZ-OE1 3.71Å; R124-E152 IonicContact CZ-OE2 3.55Å; R124-E152 IonicContact NE-OE1 3.62Å; R124-E152 PolarHBondContact NE-OE1 3.43Å; R124-E152 IonicContact NE-OE2 3.97Å; R124-E152 IonicContact NH2-OE1 2.87Å; R124-E152 PolarHBondContact NH2-OE1 3.02Å; R124-E152 IonicContact NH2-OE2 2.85Å; R124-E152 PolarHBondContact NH2-OE2 2.85Å; L128-E152 HydrophobicContact CD2-CB 4.29Å; L148-E152 HydrophobicContact CD2-CB 4.46Å; T149-E152 PolarHBondContact N-OE2 3.46Å; T149-E152 PolarHBondContact O-N 3.14Å; T149-E152 VanDerWaalsContact O-N 3.15Å; T149-E152 WeakPolarHBondContact OG1-CG 3.45Å; T149-E152 PolarHBondContact OG1-N 3.37Å; T149-E152 PolarHBondContact OG1-OE2 2.9Å; M150-E152 VanDerWaalsContact C-N 3.26Å; M150-E152 PolarHBondContact O-N 3.28Å; E152-C154 VanDerWaalsContact C-N 3.32Å; E152-C154 PolarHBondContact O-N 3.17Å; E152-S155 PolarHBondContact O-N 2.71Å; E152-S155 VanDerWaalsContact O-N 3.1Å; E152-S155 PolarHBondContact O-OG 3.12Å; E152-I156 PolarHBondContact O-N 2.92Å
153I93.3Very high91.2Very high77 Ų7760.9 Ų60.940%0.39534%0.337SS..Hα-helixtrans-59.5-46.3175-60.6167.1000110.1L148 T149 M150 S155 I156 R157L148-I153 HydrophobicContact CB-CD1 4.25Å; L148-I153 HydrophobicContact CB-CG1 3.94Å; L148-I153 HydrophobicContact CD1-CG1 4.22Å; T149-I153 PolarHBondContact O-N 3.21Å; T149-I153 VanDerWaalsContact O-N 3.16Å; M150-I153 PolarHBondContact O-N 2.93Å; I153-S155 PolarHBondContact O-N 3.25Å; I153-I156 PolarHBondContact O-N 3.29Å; I153-R157 VanDerWaalsContact O-CB 3.29Å; I153-R157 WeakPolarHBondContact O-CB 3.44Å; I153-R157 PolarHBondContact O-N 2.64Å; I153-R157 VanDerWaalsContact O-N 3.08Å
154C91.9Very high91.3Very high14 Ų1462.1 Ų62.110%0.09534%0.337CS..Hα-helixtrans-53-40176.6-66.30000111.1C6 M150 E152C6-C154 WeakPolarHBondContact CB-SG 3.13Å; C6-C154 WeakPolarHBondContact SG-CB 3.26Å; C6-C154 CovalentContact SG-SG 2.09Å; C6-C154 PolarHBondContact SG-SG 2.93Å; M150-C154 WeakPolarHBondContact O-CB 3.48Å; M150-C154 PolarHBondContact O-N 3.32Å; M150-C154 PolarHBondContact O-SG 2.73Å; E152-C154 VanDerWaalsContact C-N 3.32Å; E152-C154 PolarHBondContact O-N 3.17Å
155S90.8Very high91.6Very high59 Ų5960.8 Ų60.841%0.41332%0.319SS..Hα-helixtrans-72.9-32-173.271.40000115.4M125 S151 E152 I153M125-S155 WeakPolarHBondContact CE-OG 3.17Å; S151-S155 WeakPolarHBondContact O-CB 3.49Å; S151-S155 PolarHBondContact O-N 2.95Å; S151-S155 VanDerWaalsContact O-N 3.09Å; E152-S155 PolarHBondContact O-N 2.71Å; E152-S155 VanDerWaalsContact O-N 3.1Å; E152-S155 PolarHBondContact O-OG 3.12Å; I153-S155 PolarHBondContact O-N 3.25Å
156I91Very high91.6Very high31 Ų3162.6 Ų62.616%0.15932%0.324CS..Hα-helixtrans-100.8-15-178.557.1162.5000113.2L128 V132 E152 I153 E158 F159 L160L128-I156 HydrophobicContact CD1-CD1 3.76Å; L128-I156 HydrophobicContact CD2-CB 4.46Å; L128-I156 HydrophobicContact CD2-CD1 3.87Å; L128-I156 HydrophobicContact CD2-CG1 4.1Å; L128-I156 HydrophobicContact CD2-CG2 3.56Å; L128-I156 HydrophobicContact CG-CD1 3.98Å; L128-I156 HydrophobicContact CG-CG2 4.04Å; V132-I156 HydrophobicContact CG2-CD1 4.19Å; E152-I156 PolarHBondContact O-N 2.92Å; I153-I156 PolarHBondContact O-N 3.29Å; I156-E158 PolarHBondContact O-N 3.32Å; I156-F159 PolarHBondContact O-N 2.93Å; I156-L160 HydrophobicContact CB-CD1 4.49Å; I156-L160 HydrophobicContact CD1-CD1 3.84Å; I156-L160 HydrophobicContact CG1-CD1 4.37Å; I156-L160 PolarHBondContact O-N 3.48Å
157R91.5Very high91.3Very high126 Ų12661.2 Ų61.248%0.47532%0.316SS..Hα-helixtrans-55.2-46.9-174.3177.1178.1176.2-91.7-0.2112.8I153 S161I153-R157 VanDerWaalsContact O-CB 3.29Å; I153-R157 WeakPolarHBondContact O-CB 3.44Å; I153-R157 PolarHBondContact O-N 2.64Å; I153-R157 VanDerWaalsContact O-N 3.08Å; R157-S161 VanDerWaalsContact O-CB 3.22Å; R157-S161 WeakPolarHBondContact O-CB 3.18Å; R157-S161 PolarHBondContact O-N 3.24Å; R157-S161 PolarHBondContact O-OG 3.08Å
158E87.4Confident90.9Very high126 Ų12664.3 Ų64.359%0.58932%0.323SS*.Hα-helixtrans-66.6-45.8-177.6-68.9179.3-17700111.1I156 L160 S161 E162I156-E158 PolarHBondContact O-N 3.32Å; E158-L160 PolarHBondContact O-N 2.88Å; E158-S161 PolarHBondContact O-N 3.07Å; E158-E162 WeakPolarHBondContact O-CB 3.4Å; E158-E162 PolarHBondContact O-N 3.42Å
159F88.2Confident90.7Very high131 Ų13166.9 Ų66.958%0.57534%0.336SS*.Hα-helixtrans-57.5-48.9175.7174.7-99.9000112V132 I156 G163V132-F159 HydrophobicContact CG1-CE1 4.28Å; I156-F159 PolarHBondContact O-N 2.93Å; F159-G163 WeakPolarHBondContact O-CA 3.29Å; F159-G163 PolarHBondContact O-N 2.98Å
160L89.7Confident90.5Very high34 Ų3472.5 Ų72.518%0.17837%0.365CS..Hα-helixtrans-69.5-42.2-179.6-72.5-179.8000112.7V132 I156 E158 E162 L164V132-L160 HydrophobicContact CG1-CD2 3.68Å; V132-L160 HydrophobicContact CG2-CD1 4.26Å; V132-L160 HydrophobicContact CG2-CD2 4.38Å; I156-L160 HydrophobicContact CB-CD1 4.49Å; I156-L160 HydrophobicContact CD1-CD1 3.84Å; I156-L160 HydrophobicContact CG1-CD1 4.37Å; I156-L160 PolarHBondContact O-N 3.48Å; E158-L160 PolarHBondContact O-N 2.88Å; L160-E162 VanDerWaalsContact C-N 3.34Å; L160-E162 PolarHBondContact O-N 3.46Å; L160-L164 WeakPolarHBondContact O-CB 3.22Å; L160-L164 WeakPolarHBondContact O-CD1 3.47Å; L160-L164 WeakPolarHBondContact O-CG 3.38Å; L160-L164 PolarHBondContact O-N 3.01Å
161S89.7Confident90.2Very high70 Ų7076.2 Ų76.249%0.4939%0.385SS..Hα-helixtrans-63-45-178.3-56.60000110.8R157 E158 N165R157-S161 VanDerWaalsContact O-CB 3.22Å; R157-S161 WeakPolarHBondContact O-CB 3.18Å; R157-S161 PolarHBondContact O-N 3.24Å; R157-S161 PolarHBondContact O-OG 3.08Å; E158-S161 PolarHBondContact O-N 3.07Å; S161-N165 VanDerWaalsContact O-CB 3.26Å; S161-N165 WeakPolarHBondContact O-CB 3.26Å; S161-N165 PolarHBondContact O-N 3.27Å
162E91.7Very high89.8Confident104 Ų10482.4 Ų82.449%0.48641%0.408SS..Hα-helixtrans-75.5-46.7179.1-170.855.1-140.500111.4E158 L160 L164 N165 Q166E158-E162 WeakPolarHBondContact O-CB 3.4Å; E158-E162 PolarHBondContact O-N 3.42Å; L160-E162 VanDerWaalsContact C-N 3.34Å; L160-E162 PolarHBondContact O-N 3.46Å; E162-L164 PolarHBondContact O-N 3.37Å; E162-N165 WeakPolarHBondContact O-CB 3.35Å; E162-N165 PolarHBondContact O-N 2.94Å; E162-N165 VanDerWaalsContact O-N 3.11Å; E162-Q166 WeakPolarHBondContact O-CG 3.5Å; E162-Q166 PolarHBondContact O-N 3.01Å; E162-Q166 PolarHBondContact OE1-NE2 3.39Å
163G89.4Confident89.2Confident26 Ų2685.9 Ų85.927%0.26844%0.437SS..Hα-helixtrans-58.6-45.7-179.500000112.8F159 Q166 L167F159-G163 WeakPolarHBondContact O-CA 3.29Å; F159-G163 PolarHBondContact O-N 2.98Å; G163-Q166 PolarHBondContact O-N 3.36Å; G163-L167 WeakPolarHBondContact O-CG 3.39Å; G163-L167 PolarHBondContact O-N 2.81Å
164L88.7Confident88.1Confident72 Ų7290.5 Ų90.538%0.37746%0.457SS..Hα-helixtrans-69-34.1176.2-66.2171.7000112.1F135 L136 L160 E162 L167 R168F135-L164 HydrophobicContact CE1-CD1 4.4Å; F135-L164 HydrophobicContact CE1-CD2 4.49Å; L136-L164 HydrophobicContact CD2-CD2 3.64Å; L160-L164 WeakPolarHBondContact O-CB 3.22Å; L160-L164 WeakPolarHBondContact O-CD1 3.47Å; L160-L164 WeakPolarHBondContact O-CG 3.38Å; L160-L164 PolarHBondContact O-N 3.01Å; E162-L164 PolarHBondContact O-N 3.37Å; L164-L167 HydrophobicContact CD2-CD1 4.31Å; L164-L167 PolarHBondContact O-N 3.4Å; L164-R168 WeakPolarHBondContact O-CB 3.38Å; L164-R168 PolarHBondContact O-N 3.47Å
165N91Very high86.8Confident47 Ų4796.3 Ų96.325%0.25148%0.483SS..Hα-helixtrans-63.8-42174.3-177.656.7000111.4S161 E162 R168 L169S161-N165 VanDerWaalsContact O-CB 3.26Å; S161-N165 WeakPolarHBondContact O-CB 3.26Å; S161-N165 PolarHBondContact O-N 3.27Å; E162-N165 WeakPolarHBondContact O-CB 3.35Å; E162-N165 PolarHBondContact O-N 2.94Å; E162-N165 VanDerWaalsContact O-N 3.11Å; N165-R168 WeakPolarHBondContact O-CB 3.29Å; N165-R168 PolarHBondContact O-N 2.74Å; N165-R168 PolarHBondContact OD1-NH2 3.01Å; N165-L169 WeakPolarHBondContact O-CG 3.38Å; N165-L169 PolarHBondContact O-N 2.9Å
166Q91Very high85.1Confident89 Ų8999 Ų9942%0.41650%0.5SS..Hα-helixtrans-65.8-44.8175.6-66.1-58.4-3800112.1E162 G163 R168 L169 L170E162-Q166 WeakPolarHBondContact O-CG 3.5Å; E162-Q166 PolarHBondContact O-N 3.01Å; E162-Q166 PolarHBondContact OE1-NE2 3.39Å; G163-Q166 PolarHBondContact O-N 3.36Å; Q166-R168 VanDerWaalsContact C-N 3.28Å; Q166-R168 PolarHBondContact O-N 2.77Å; Q166-L169 PolarHBondContact O-N 3.39Å; Q166-L169 VanDerWaalsContact O-N 3.15Å; Q166-L170 WeakPolarHBondContact O-CG 3.45Å; Q166-L170 PolarHBondContact O-N 2.98Å
167L87.4Confident83.5Confident87 Ų87106.1 Ų106.146%0.45553%0.532SS..Hα-helixtrans-57.4-43.7174.8-73.9173.1000111.5L136 G163 L164 L169 L170 L171L136-L167 HydrophobicContact CD2-CD1 4.22Å; G163-L167 WeakPolarHBondContact O-CG 3.39Å; G163-L167 PolarHBondContact O-N 2.81Å; L164-L167 HydrophobicContact CD2-CD1 4.31Å; L164-L167 PolarHBondContact O-N 3.4Å; L167-L169 PolarHBondContact O-N 3.11Å; L167-L170 PolarHBondContact O-N 3.1Å; L167-L171 VanDerWaalsContact O-CG 3.29Å; L167-L171 WeakPolarHBondContact O-CG 3.22Å; L167-L171 PolarHBondContact O-N 3.33Å
168R86.7Confident81.7Confident140 Ų140105.6 Ų105.653%0.52855%0.545SS..Hα-helixtrans-58.4-48.7174.5-177.3179.364.7168.2-0.2111.6L164 N165 Q166 L170 L171 Y172L164-R168 WeakPolarHBondContact O-CB 3.38Å; L164-R168 PolarHBondContact O-N 3.47Å; N165-R168 WeakPolarHBondContact O-CB 3.29Å; N165-R168 PolarHBondContact O-N 2.74Å; N165-R168 PolarHBondContact OD1-NH2 3.01Å; Q166-R168 VanDerWaalsContact C-N 3.28Å; Q166-R168 PolarHBondContact O-N 2.77Å; R168-L170 VanDerWaalsContact C-N 3.3Å; R168-L170 PolarHBondContact O-N 3.49Å; R168-L171 PolarHBondContact O-N 3.39Å; R168-Y172 HydrophobicContact CG-CD2 3.65Å; R168-Y172 HydrophobicContact CG-CE2 3.72Å; R168-Y172 WeakPolarHBondContact O-CD2 3.17Å; R168-Y172 PolarHBondContact O-N 3.25Å; R168-Y172 VanDerWaalsContact O-N 3.1Å
169L91.4Very high80.1Confident92 Ų92104.2 Ų104.248%0.48255%0.549SS..Hα-helixtrans-60.7-40179.8-71173.6000112.1N165 Q166 L167 Y172 A173N165-L169 WeakPolarHBondContact O-CG 3.38Å; N165-L169 PolarHBondContact O-N 2.9Å; Q166-L169 PolarHBondContact O-N 3.39Å; Q166-L169 VanDerWaalsContact O-N 3.15Å; L167-L169 PolarHBondContact O-N 3.11Å; L169-Y172 PolarHBondContact O-N 3.44Å; L169-A173 WeakPolarHBondContact O-CB 3.44Å; L169-A173 PolarHBondContact O-N 3.32Å
170L90Very high78.2Confident122 Ų122104.5 Ų104.564%0.63956%0.557SS**Hα-helixtrans-66-40.3176.8-68174.2000112.4Q166 L167 R168 Y172Q166-L170 WeakPolarHBondContact O-CG 3.45Å; Q166-L170 PolarHBondContact O-N 2.98Å; L167-L170 PolarHBondContact O-N 3.1Å; R168-L170 VanDerWaalsContact C-N 3.3Å; R168-L170 PolarHBondContact O-N 3.49Å; L170-Y172 VanDerWaalsContact C-N 3.32Å; L170-Y172 PolarHBondContact O-N 3.15Å
171L85.7Confident76.1Confident133 Ų133106.8 Ų106.870%0.69658%0.576SS**Hα-helixtrans-65.8-32.9178.1-70.7169.5000112.8L167 R168L167-L171 VanDerWaalsContact O-CG 3.29Å; L167-L171 WeakPolarHBondContact O-CG 3.22Å; L167-L171 PolarHBondContact O-N 3.33Å; R168-L171 PolarHBondContact O-N 3.39Å
172Y85.5Confident74.1Confident144 Ų144112.3 Ų112.357%0.56559%0.591SS**Hα-helixtrans-99.3-6.9-179.3-67.6-70.1000114.5R168 L169 L170 E174 E175R168-Y172 HydrophobicContact CG-CD2 3.65Å; R168-Y172 HydrophobicContact CG-CE2 3.72Å; R168-Y172 WeakPolarHBondContact O-CD2 3.17Å; R168-Y172 PolarHBondContact O-N 3.25Å; R168-Y172 VanDerWaalsContact O-N 3.1Å; L169-Y172 PolarHBondContact O-N 3.44Å; L170-Y172 VanDerWaalsContact C-N 3.32Å; L170-Y172 PolarHBondContact O-N 3.15Å; Y172-E174 PolarHBondContact O-N 2.9Å; Y172-E175 PolarHBondContact O-N 3.45Å
173A81.1Confident72Confident79 Ų79111.8 Ų111.865%0.65360%0.599SS**THydrogen-bonded Turntrans-69-18.4176.200000113.2L169L169-A173 WeakPolarHBondContact O-CB 3.44Å; L169-A173 PolarHBondContact O-N 3.32Å
174E70.1Confident69.9Low175 Ų175115.6 Ų115.682%0.81862%0.622SS**THydrogen-bonded Turntrans-87.9-5.4178.7-67-173.9170.500113.8Y172 P176Y172-E174 PolarHBondContact O-N 2.9Å; E174-P176 VanDerWaalsContact O-CD 3.25Å; E174-P176 WeakPolarHBondContact O-CD 3.25Å
175E64.1Low67.8Low135 Ų135116.7 Ų116.763%0.63164%0.635SS**SBendtrans-70.4115173.3-72.2-173.3178.300109Y172 E177Y172-E175 PolarHBondContact O-N 3.45Å; E175-E177 PolarHBondContact O-N 3.33Å
176P56.7Low66Low117 Ų117129 Ų12976%0.7668%0.68SS**  trans-62.1133.7178.325.5-31.7000108.4E174E174-P176 VanDerWaalsContact O-CD 3.25Å; E174-P176 WeakPolarHBondContact O-CD 3.25Å
177E57.2Low64.8Low179 Ų179131 Ų13184%0.83669%0.693SS**  trans-47.8132.4171.4-69-153.2162.900108.4E175 S179E175-E177 PolarHBondContact O-N 3.33Å; E177-S179 PolarHBondContact O-N 2.86Å
178P52.6Low63.6Low115 Ų115133.3 Ų133.375%0.74771%0.706SS**  trans-53.7115.8175.222.2-30.5000105.8D180P178-D180 PolarHBondContact O-N 2.81Å
179S55.3Low62.3Low98 Ų98132.9 Ų132.969%0.68572%0.716SS**  trans-52.9109.9177.853.10000106.3E177 S181E177-S179 PolarHBondContact O-N 2.86Å; S179-S181 PolarHBondContact O-N 2.7Å
180D47.1Very low60.6Low136 Ų136135.3 Ų135.373%0.72773%0.729SS**  trans-64.964.2160.9-90.9-23.8000107P178 F182P178-D180 PolarHBondContact O-N 2.81Å; D180-F182 HydrophobicContact CB-CD2 4.17Å; D180-F182 PolarHBondContact O-N 3.02Å
181S45.6Very low58.8Low83 Ų83136.1 Ų136.158%0.5874%0.735SS**  trans-73.668.3153.456.20000106.3S179 S183S179-S181 PolarHBondContact O-N 2.7Å; S181-S183 PolarHBondContact O-N 2.84Å
182F48.8Very low57Low186 Ų186136.3 Ų136.382%0.81674%0.738SS**  trans-6373.4145.9-85.6-86.4000107.4D180D180-F182 HydrophobicContact CB-CD2 4.17Å; D180-F182 PolarHBondContact O-N 3.02Å
183S46Very low55Low93 Ų93135.8 Ų135.865%0.6575%0.75SS**  trans-132.261.4154.368.80000106.7S181 S185S181-S183 PolarHBondContact O-N 2.84Å; S183-S185 PolarHBondContact O-N 2.92Å
184S46.7Very low52.9Low106 Ų106140.2 Ų140.274%0.74176%0.757SS**  trans-67.798.6156-178.40000106.4Y186S184-Y186 PolarHBondContact O-N 3.5Å
185S42.9Very low51.5Low94 Ų94137.3 Ų137.366%0.65775%0.752SS**  trans-4.5118.9145-42.90000114.2S183S183-S185 PolarHBondContact O-N 2.92Å
186Y55.1Low50.4Low305 Ų305137.5 Ų137.5100%1.19676%0.763SS**  -158.50127.4-84.6-65.7000109.1S184S184-Y186 PolarHBondContact O-N 3.5Å

Retrieved 186 of 186 residues in 143.8 ms (Link to these results)

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