A0A096M6U9_POEFO Loading...

acetate--CoA ligase

AlphaFold DB , UniProt , Accession A0A096M6U9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 322 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
1V58.3Low77.1Confident71 Ų7159.7 Ų59.743%0.4334%0.335SS..  0-95.40-1550000112.3C3 L4 D5 V6 K73V1-C3 VanDerWaalsContact C-N 3.27Å; V1-C3 PolarHBondContact O-N 2.78Å; V1-L4 PolarHBondContact O-N 3.34Å; V1-D5 WeakPolarHBondContact CA-OD2 3.34Å; V1-D5 PolarHBondContact N-OD1 3.04Å; V1-D5 PolarHBondContact N-OD2 3.4Å; V1-D5 PolarHBondContact O-N 3.11Å; V1-D5 VanDerWaalsContact O-N 3.11Å; V1-V6 HydrophobicContact CG1-CG1 4.5Å; V1-V6 PolarHBondContact O-N 3.36Å; V1-K73 HydrophobicContact CG2-CD 3.6Å; V1-K73 VanDerWaalsContact CG2-CE 3.5Å; V1-K73 HydrophobicContact CG2-CG 3.8Å
2N75.4Confident77.8Confident92 Ų9259 Ų5949%0.49234%0.335SS..THydrogen-bonded Turntrans-68.6-20-169.3-66.6-23.7000115.3V6N2-V6 VanDerWaalsContact O-CG2 3.23Å; N2-V6 WeakPolarHBondContact O-CG2 3.17Å
3C76.9Confident78.5Confident20 Ų2065.8 Ų65.814%0.13537%0.37CS..THydrogen-bonded Turntrans-92.2-18.9-179.7-60.90000113.8V1 L215V1-C3 VanDerWaalsContact C-N 3.27Å; V1-C3 PolarHBondContact O-N 2.78Å; C3-L215 CarbonylContact C-O 3.54Å; C3-L215 WeakPolarHBondContact CA-O 3.43Å; C3-L215 HydrophobicContact CB-CB 3.73Å; C3-L215 VanDerWaalsContact O-O 3.12Å
4L71.8Confident79.3Confident5 Ų564.3 Ų64.33%0.02636%0.358CS..THydrogen-bonded Turntrans-141-66.8-169.9-63.6166.9000111V1 V6 H7 V8 A16 E35 I68 L69V1-L4 PolarHBondContact O-N 3.34Å; L4-V6 PolarHBondContact O-N 2.93Å; L4-H7 PolarHBondContact O-N 3.41Å; L4-V8 WeakPolarHBondContact O-CG2 3.39Å; L4-V8 PolarHBondContact O-N 3.42Å; L4-A16 HydrophobicContact CD2-CB 4.21Å; L4-E35 WeakPolarHBondContact CD1-OE1 3.41Å; L4-I68 HydrophobicContact CD1-CG2 3.97Å; L4-I68 WeakPolarHBondContact CD1-O 3.43Å; L4-I68 HydrophobicContact CD2-CG2 4.39Å; L4-I68 HydrophobicContact CG-CG2 4.43Å; L4-L69 HydrophobicContact CD1-CD2 3.55Å; L4-L69 HydrophobicContact CD2-CD2 3.91Å; L4-L69 HydrophobicContact CG-CD2 4.38Å
5D70.3Confident80Confident33 Ų3362.6 Ų62.618%0.17635%0.35CS..Hα-helixtrans-48.9-41.2-174.5-46.914000113.1V1 H7 V8 N71 K73V1-D5 WeakPolarHBondContact CA-OD2 3.34Å; V1-D5 PolarHBondContact N-OD1 3.04Å; V1-D5 PolarHBondContact N-OD2 3.4Å; V1-D5 PolarHBondContact O-N 3.11Å; V1-D5 VanDerWaalsContact O-N 3.11Å; D5-H7 PolarHBondContact O-N 2.82Å; D5-V8 PolarHBondContact O-N 2.97Å; D5-N71 VanDerWaalsContact OD1-CG 3.29Å; D5-N71 PolarHBondContact OD1-ND2 3.46Å; D5-N71 PolarHBondContact OD1-OD1 3.47Å; D5-N71 PolarHBondContact OD2-OD1 3.39Å; D5-K73 WeakPolarHBondContact OD2-CE 3.49Å; D5-K73 IonicContact OD2-NZ 2.74Å; D5-K73 PolarHBondContact OD2-NZ 3.43Å
6V80.4Confident80.5Confident68 Ų6858.8 Ų58.841%0.41233%0.329SS..Hα-helixtrans-67.8-22.8-177.5-62.90000113.2V1 N2 L4V1-V6 HydrophobicContact CG1-CG1 4.5Å; V1-V6 PolarHBondContact O-N 3.36Å; N2-V6 VanDerWaalsContact O-CG2 3.23Å; N2-V6 WeakPolarHBondContact O-CG2 3.17Å; L4-V6 PolarHBondContact O-N 2.93Å
7H84.4Confident80.9Confident26 Ų2655.7 Ų55.712%0.1231%0.311CS..Hα-helixtrans-96.8-16.4-178.6-54.9-55000112.4L4 D5 D9 S10 H11 H32 L215 C216 G218L4-H7 PolarHBondContact O-N 3.41Å; D5-H7 PolarHBondContact O-N 2.82Å; H7-D9 VanDerWaalsContact C-N 3.3Å; H7-D9 PolarHBondContact O-N 2.98Å; H7-S10 PolarHBondContact O-N 3.28Å; H7-S10 PolarHBondContact O-OG 3.49Å; H7-H11 CarbonylContact O-C 3.32Å; H7-H11 PolarHBondContact O-N 3.36Å; H7-H32 AromaticContact CD2-CE1 3.82Å; H7-L215 PolarHBondContact CD2-O 2.99Å; H7-L215 PolarHBondContact NE2-O 3.48Å; H7-C216 PolarHBondContact NE2-O 3.12Å; H7-G218 PolarHBondContact CE1-N 2.83Å; H7-G218 PolarHBondContact NE2-N 2.93Å
8V80.9Confident81.4Confident32 Ų3253.4 Ų53.419%0.19430%0.298CS..Hα-helixtrans-60.3-41.3178.6-177.60000111.5L4 D5 P12 H32L4-V8 WeakPolarHBondContact O-CG2 3.39Å; L4-V8 PolarHBondContact O-N 3.42Å; D5-V8 PolarHBondContact O-N 2.97Å; V8-P12 WeakPolarHBondContact O-CB 3.45Å; V8-P12 VanDerWaalsContact O-CD 3.31Å; V8-P12 WeakPolarHBondContact O-CD 3.16Å; V8-H32 HydrophobicContact CG2-CB 4.49Å; V8-H32 VanDerWaalsContact CG2-O 3.29Å; V8-H32 WeakPolarHBondContact CG2-O 3.2Å
9D80.9Confident81.7Confident155 Ų15551.4 Ų51.483%0.82929%0.285SS*.THydrogen-bonded Turntrans-72.5-30.1-177.2-69.1-23.6000112.4H7H7-D9 VanDerWaalsContact C-N 3.3Å; H7-D9 PolarHBondContact O-N 2.98Å
10S84.4Confident82.1Confident65 Ų6548.8 Ų48.846%0.45527%0.271SS..THydrogen-bonded Turntrans-93.2-40-177.455.90000113.4H7H7-S10 PolarHBondContact O-N 3.28Å; H7-S10 PolarHBondContact O-OG 3.49Å
11H84.8Confident82.3Confident90 Ų9051 Ų5142%0.41728%0.276SS..  trans-142.760.7-170.3-49.8114.3000111.9H7 D13 Q14H7-H11 CarbonylContact O-C 3.32Å; H7-H11 PolarHBondContact O-N 3.36Å; H11-D13 VanDerWaalsContact C-N 3.3Å; H11-D13 PolarHBondContact O-N 3.5Å; H11-Q14 HydrophobicContact CB-CB 3.81Å; H11-Q14 WeakPolarHBondContact O-CB 3.22Å; H11-Q14 PolarHBondContact O-N 3.07Å
12P84.6Confident83.6Confident51 Ų5148 Ų4833%0.33126%0.257SS..THydrogen-bonded Turntrans-62-36.9-174.724.3-32.9000113V8 Q14 T31 G33V8-P12 WeakPolarHBondContact O-CB 3.45Å; V8-P12 VanDerWaalsContact O-CD 3.31Å; V8-P12 WeakPolarHBondContact O-CD 3.16Å; P12-Q14 VanDerWaalsContact C-N 3.31Å; P12-Q14 PolarHBondContact O-N 3.02Å; P12-T31 WeakPolarHBondContact O-CB 3.45Å; P12-T31 PolarHBondContact O-OG1 2.82Å; P12-G33 WeakPolarHBondContact O-CA 3.34Å; P12-G33 PolarHBondContact O-N 3.43Å
13D87.9Confident84.3Confident147 Ų14747.9 Ų47.979%0.78625%0.253SS*.THydrogen-bonded Turntrans-84.4-5.8-177.3-57.9-45.8000113.2H11H11-D13 VanDerWaalsContact C-N 3.3Å; H11-D13 PolarHBondContact O-N 3.5Å
14Q88.6Confident85Confident45 Ų4548.7 Ų48.721%0.2126%0.259CS..SBendtrans-72.4135.5178.1-177.6-177.5-16.900109.9H11 P12 A16 T31 H32 G218H11-Q14 HydrophobicContact CB-CB 3.81Å; H11-Q14 WeakPolarHBondContact O-CB 3.22Å; H11-Q14 PolarHBondContact O-N 3.07Å; P12-Q14 VanDerWaalsContact C-N 3.31Å; P12-Q14 PolarHBondContact O-N 3.02Å; Q14-A16 PolarHBondContact O-N 3.35Å; Q14-T31 CarbonylContact O-C 3.59Å; Q14-T31 VanDerWaalsContact O-CA 3.28Å; Q14-T31 WeakPolarHBondContact O-CA 3.39Å; Q14-T31 WeakPolarHBondContact O-CB 3.45Å; Q14-H32 PolarHBondContact O-CD2 3.06Å; Q14-H32 PolarHBondContact O-N 3.17Å; Q14-G218 PolarHBondContact NE2-O 3.09Å
15V90.3Very high85.7Confident39 Ų3951.2 Ų51.224%0.23628%0.276CS..EExtended strand (participates in β ladder)trans-67.9122175.9-175.60000109.1I18 T29 T220V15-I18 HydrophobicContact CG1-CG1 3.71Å; V15-T29 HydrophobicContact CG1-CG2 4.37Å; V15-T220 HydrophobicContact CB-CG2 4.01Å; V15-T220 HydrophobicContact CG1-CG2 3.9Å; V15-T220 WeakPolarHBondContact O-CA 3.05Å; V15-T220 WeakPolarHBondContact O-CB 3.45Å; V15-T220 PolarHBondContact O-OG1 2.92Å
16A87.7Confident86.5Confident1 Ų152.4 Ų52.41%0.00828%0.284CS..EExtended strand (participates in β ladder)trans-85.7-43.8174.500000110.6L4 Q14 H30 H32 L215 T221L4-A16 HydrophobicContact CD2-CB 4.21Å; Q14-A16 PolarHBondContact O-N 3.35Å; A16-H30 PolarHBondContact N-O 2.93Å; A16-H32 VanDerWaalsContact CB-CE1 3.47Å; A16-H32 WeakPolarHBondContact CB-CE1 3.44Å; A16-L215 HydrophobicContact CB-CD2 4.02Å; A16-L215 WeakPolarHBondContact O-CD2 3.33Å; A16-T221 WeakPolarHBondContact O-CG2 3.22Å; A16-T221 PolarHBondContact O-N 3.23Å
17L87.6Confident86.7Confident7 Ų752.5 Ų52.54%0.03728%0.28CS..EExtended strand (participates in β ladder)trans-136.9130.4-173.8178.574.1000110.9T29 H30 T65 T221 L223L17-T29 WeakPolarHBondContact O-CA 3.16Å; L17-H30 HydrophobicContact CB-CB 4.37Å; L17-H30 PolarHBondContact N-O 2.83Å; L17-H30 VanDerWaalsContact N-O 3.12Å; L17-H30 PolarHBondContact O-N 3.48Å; L17-T65 HydrophobicContact CD2-CG2 3.29Å; L17-T221 WeakPolarHBondContact CA-O 3.42Å; L17-T221 HydrophobicContact CD1-CG2 3.53Å; L17-L223 HydrophobicContact CD1-CB 3.92Å
18I89.5Confident86.7Confident14 Ų1452.8 Ų52.87%0.07228%0.281CS..EExtended strand (participates in β ladder)trans-107.8116.9165.7-55173.4000107.6V15 E27 T29 V194 T220 T221 V222 L223 L243V15-I18 HydrophobicContact CG1-CG1 3.71Å; I18-E27 HydrophobicContact CG2-CB 3.88Å; I18-E27 HydrophobicContact CG2-CG 4.2Å; I18-T29 HydrophobicContact CG1-CG2 4.22Å; I18-T29 HydrophobicContact CG2-CG2 4.38Å; I18-V194 HydrophobicContact CD1-CG1 4.22Å; I18-T220 HydrophobicContact CD1-CG2 3.61Å; I18-T220 HydrophobicContact CG1-CG2 3.77Å; I18-T221 PolarHBondContact N-O 3.17Å; I18-V222 HydrophobicContact CB-CG2 4.5Å; I18-V222 CarbonylContact O-C 3.58Å; I18-V222 WeakPolarHBondContact O-CA 3.4Å; I18-L223 PolarHBondContact O-N 3.12Å; I18-L243 HydrophobicContact CD1-CD2 4.44Å; I18-L243 HydrophobicContact CG2-CD1 3.81Å; I18-L243 HydrophobicContact CG2-CD2 3.8Å; I18-L243 HydrophobicContact CG2-CG 4.43Å
19W88.4Confident86.8Confident15 Ų1554.2 Ų54.26%0.05729%0.29CS..EExtended strand (participates in β ladder)trans-96.897.4172.9179.522.9000109.8R21 E27 F28 L62 L223 D225W19-R21 HydrophobicContact CD2-CG 4.4Å; W19-R21 HydrophobicContact CZ2-CG 4.38Å; W19-R21 PolarHBondContact O-N 2.95Å; W19-E27 CarbonylContact O-C 3.56Å; W19-E27 VanDerWaalsContact O-CA 3.26Å; W19-E27 WeakPolarHBondContact O-CA 3.08Å; W19-F28 HydrophobicContact CB-CB 4.33Å; W19-F28 HydrophobicContact CE3-CB 4.08Å; W19-F28 HydrophobicContact CE3-CD1 4.17Å; W19-F28 HydrophobicContact CE3-CG 4.35Å; W19-F28 PolarHBondContact N-O 3.31Å; W19-F28 PolarHBondContact O-N 2.92Å; W19-L62 HydrophobicContact CE3-CD2 4.08Å; W19-L62 HydrophobicContact CH2-CD1 3.74Å; W19-L62 HydrophobicContact CH2-CD2 3.06Å; W19-L62 HydrophobicContact CH2-CG 3.32Å; W19-L62 HydrophobicContact CZ2-CD1 4.17Å; W19-L62 HydrophobicContact CZ2-CD2 3.85Å; W19-L62 HydrophobicContact CZ2-CG 3.66Å; W19-L62 HydrophobicContact CZ3-CD2 3.18Å; W19-L62 HydrophobicContact CZ3-CG 3.97Å; W19-L223 CarbonylContact C-O 3.48Å; W19-L223 WeakPolarHBondContact CA-O 3.29Å; W19-L223 HydrophobicContact CB-CD2 4.44Å; W19-L223 HydrophobicContact CG-CD2 4.02Å; W19-L223 HydrophobicContact CG-CG 4.46Å; W19-D225 WeakPolarHBondContact CZ2-OD2 3.28Å; W19-D225 PolarHBondContact NE1-OD2 2.79Å
20E88.4Confident86.9Confident0 Ų047 Ų470%025%0.252CS..EExtended strand (participates in β ladder)trans-78107.4174-17961.3-162.600109.2C25 V222 L223 F224 D225 R235 T239 L243E20-C25 PolarHBondContact OE1-N 2.84Å; E20-V222 HydrophobicContact CB-CG1 4.3Å; E20-L223 PolarHBondContact N-O 2.8Å; E20-F224 HydrophobicContact CB-CD2 4.25Å; E20-F224 HydrophobicContact CG-CD2 3.85Å; E20-F224 HydrophobicContact CG-CE2 4.28Å; E20-D225 PolarHBondContact O-N 3.33Å; E20-R235 IonicContact OE1-CZ 3.76Å; E20-R235 IonicContact OE1-NE 3.53Å; E20-R235 IonicContact OE1-NH2 3.12Å; E20-R235 PolarHBondContact OE1-NH2 3.46Å; E20-T239 HydrophobicContact CG-CG2 3.92Å; E20-L243 HydrophobicContact CB-CD1 4.21Å
21R86.9Confident86.8Confident96 Ų9645.2 Ų45.236%0.36224%0.238SC..  trans-74.2174.9-176.8-64.1-177-177.7-171.4-2111.7W19 E23 T26 R235W19-R21 HydrophobicContact CD2-CG 4.4Å; W19-R21 HydrophobicContact CZ2-CG 4.38Å; W19-R21 PolarHBondContact O-N 2.95Å; R21-E23 VanDerWaalsContact C-N 3.3Å; R21-E23 PolarHBondContact O-N 3.18Å; R21-T26 WeakPolarHBondContact CB-O 3.36Å; R21-T26 WeakPolarHBondContact CB-OG1 3.45Å; R21-T26 WeakPolarHBondContact CD-O 3.14Å; R21-T26 WeakPolarHBondContact CG-O 3.39Å; R21-R235 PolarHBondContact O-NH2 3.42Å
22D86.3Confident86.5Confident7 Ų741 Ų414%0.03722%0.218CC..SBendtrans-61.7-36.1-176.8-165.842.4000113.7V105 G107 G108 S226 Y230 R235D22-V105 HydrophobicContact CB-CB 4.34Å; D22-V105 HydrophobicContact CB-CG1 4.25Å; D22-V105 WeakPolarHBondContact OD2-CG1 3.23Å; D22-G107 VanDerWaalsContact CG-N 3.28Å; D22-G107 PolarHBondContact OD1-N 3.03Å; D22-G107 PolarHBondContact OD2-N 3.1Å; D22-G107 VanDerWaalsContact OD2-N 3.13Å; D22-G108 WeakPolarHBondContact OD2-CA 3.49Å; D22-G108 PolarHBondContact OD2-N 3.22Å; D22-S226 PolarHBondContact O-OG 3.39Å; D22-S226 VanDerWaalsContact OD1-CA 3.28Å; D22-S226 WeakPolarHBondContact OD1-CA 3.5Å; D22-S226 VanDerWaalsContact OD1-CB 3.23Å; D22-S226 WeakPolarHBondContact OD1-CB 3.26Å; D22-S226 PolarHBondContact OD1-OG 2.98Å; D22-Y230 WeakPolarHBondContact O-CD1 3.46Å; D22-Y230 WeakPolarHBondContact O-CE1 3.46Å; D22-R235 PolarHBondContact O-NH1 3.46Å
23E90.2Very high85.8Confident89 Ų8939.1 Ų39.142%0.41621%0.207SC..SBendtrans-80.9138.7174.4-67.7-59145.200110.7R21 T26 Y230 R235R21-E23 VanDerWaalsContact C-N 3.3Å; R21-E23 PolarHBondContact O-N 3.18Å; E23-T26 HydrophobicContact CB-CG2 4.05Å; E23-T26 PolarHBondContact O-OG1 3Å; E23-Y230 PolarHBondContact OE1-OH 3.44Å; E23-R235 PolarHBondContact O-NH2 2.94Å
24P90.4Very high84.8Confident38 Ų3833.3 Ų33.325%0.24718%0.176CC..THydrogen-bonded Turntrans-58.3142.1-179.6-20.130.9000113T26 P231 R235P24-T26 PolarHBondContact O-N 3.11Å; P24-P231 VanDerWaalsContact CG-CD 3.48Å; P24-P231 HydrophobicContact CG-CG 3.83Å; P24-R235 VanDerWaalsContact CA-NH2 3.32Å
25C87.5Confident83.3Confident58 Ų5833.9 Ų33.939%0.39218%0.179SC..THydrogen-bonded Turntrans56.135.6175.8-41.70000113.1E20 E238 W242E20-C25 PolarHBondContact OE1-N 2.84Å; C25-E238 PolarHBondContact SG-OE1 3.42Å; C25-W242 HydrophobicContact CB-CD2 4.19Å; C25-W242 HydrophobicContact CB-CZ2 4.1Å
26T86.2Confident81.5Confident58 Ų5836 Ų3636%0.35620%0.196SC..  trans-120.647.6176.2620000111.2R21 E23 P24R21-T26 WeakPolarHBondContact CB-O 3.36Å; R21-T26 WeakPolarHBondContact CB-OG1 3.45Å; R21-T26 WeakPolarHBondContact CD-O 3.14Å; R21-T26 WeakPolarHBondContact CG-O 3.39Å; E23-T26 HydrophobicContact CB-CG2 4.05Å; E23-T26 PolarHBondContact O-OG1 3Å; P24-T26 PolarHBondContact O-N 3.11Å
27E85.1Confident79.7Confident69 Ų6938.4 Ų38.432%0.32221%0.209SC..  trans-70.9152.6-178.175.9-75.1-173.700113.1I18 W19 T29 W242 L243I18-E27 HydrophobicContact CG2-CB 3.88Å; I18-E27 HydrophobicContact CG2-CG 4.2Å; W19-E27 CarbonylContact O-C 3.56Å; W19-E27 VanDerWaalsContact O-CA 3.26Å; W19-E27 WeakPolarHBondContact O-CA 3.08Å; E27-T29 HydrophobicContact CG-CG2 4.28Å; E27-W242 PolarHBondContact OE1-NE1 2.83Å; E27-W242 PolarHBondContact OE2-NE1 3.25Å; E27-L243 HydrophobicContact CB-CD2 4.47Å; E27-L243 HydrophobicContact CG-CD2 4.34Å
28F83.9Confident77.6Confident33 Ų3343 Ų4315%0.14524%0.239CC..EExtended strand (participates in β ladder)trans-118.7126.2165.9171.8-91.5000108.6W19 H30 N42 I46W19-F28 HydrophobicContact CB-CB 4.33Å; W19-F28 HydrophobicContact CE3-CB 4.08Å; W19-F28 HydrophobicContact CE3-CD1 4.17Å; W19-F28 HydrophobicContact CE3-CG 4.35Å; W19-F28 PolarHBondContact N-O 3.31Å; W19-F28 PolarHBondContact O-N 2.92Å; F28-H30 HydrophobicContact CE1-CB 4.33Å; F28-N42 HydrophobicContact CE2-CB 4.48Å; F28-N42 WeakPolarHBondContact CE2-OD1 3.15Å; F28-N42 HydrophobicContact CZ-CB 3.92Å; F28-I46 HydrophobicContact CE1-CD1 4.1Å; F28-I46 HydrophobicContact CZ-CD1 4.2Å
29T83.8Confident75Confident61 Ų6151.8 Ų51.837%0.37427%0.271SS..EExtended strand (participates in β ladder)trans-104.2146.6179.6580000111.3V15 L17 I18 E27V15-T29 HydrophobicContact CG1-CG2 4.37Å; L17-T29 WeakPolarHBondContact O-CA 3.16Å; I18-T29 HydrophobicContact CG1-CG2 4.22Å; I18-T29 HydrophobicContact CG2-CG2 4.38Å; E27-T29 HydrophobicContact CG-CG2 4.28Å
30H81.8Confident72.9Confident5 Ų552.1 Ų52.12%0.02328%0.275CS..EExtended strand (participates in β ladder)trans-131.1124.9173.9-172.376.7000109.8A16 L17 F28 D34 I46 L69A16-H30 PolarHBondContact N-O 2.93Å; L17-H30 HydrophobicContact CB-CB 4.37Å; L17-H30 PolarHBondContact N-O 2.83Å; L17-H30 VanDerWaalsContact N-O 3.12Å; L17-H30 PolarHBondContact O-N 3.48Å; F28-H30 HydrophobicContact CE1-CB 4.33Å; H30-D34 WeakPolarHBondContact CE1-CB 3Å; H30-D34 IonicContact CE1-OD2 3.49Å; H30-D34 IonicContact CG-OD2 2.79Å; H30-D34 IonicContact ND1-OD2 2.74Å; H30-D34 PolarHBondContact ND1-OD2 2.86Å; H30-D34 VanDerWaalsContact ND1-OD2 3.08Å; H30-I46 WeakPolarHBondContact ND1-CD1 3.44Å; H30-L69 HydrophobicContact CB-CD1 4.48Å; H30-L69 WeakPolarHBondContact CD2-CD2 3.49Å; H30-L69 WeakPolarHBondContact NE2-CD2 3.41Å
31T83.7Confident70.4Confident26 Ų2660.2 Ų60.216%0.1631%0.313CS..EExtended strand (participates in β ladder)trans-89.3162178.773.90000111.6P12 Q14 G33 D34P12-T31 WeakPolarHBondContact O-CB 3.45Å; P12-T31 PolarHBondContact O-OG1 2.82Å; Q14-T31 CarbonylContact O-C 3.59Å; Q14-T31 VanDerWaalsContact O-CA 3.28Å; Q14-T31 WeakPolarHBondContact O-CA 3.39Å; Q14-T31 WeakPolarHBondContact O-CB 3.45Å; T31-G33 PolarHBondContact O-N 3.47Å; T31-G33 PolarHBondContact OG1-N 3.05Å; T31-D34 PolarHBondContact N-OD2 3.25Å; T31-D34 PolarHBondContact O-N 3.47Å; T31-D34 PolarHBondContact OG1-N 2.89Å; T31-D34 PolarHBondContact OG1-OD1 3.4Å
32H78Confident68.2Low3 Ų357.7 Ų57.71%0.01431%0.307CS..G310 helixtrans-60.6-34172.8-73.6-68.5000112.3H7 V8 Q14 A16H7-H32 AromaticContact CD2-CE1 3.82Å; V8-H32 HydrophobicContact CG2-CB 4.49Å; V8-H32 VanDerWaalsContact CG2-O 3.29Å; V8-H32 WeakPolarHBondContact CG2-O 3.2Å; Q14-H32 PolarHBondContact O-CD2 3.06Å; Q14-H32 PolarHBondContact O-N 3.17Å; A16-H32 VanDerWaalsContact CB-CE1 3.47Å; A16-H32 WeakPolarHBondContact CB-CE1 3.44Å
33G69.1Low65.9Low10 Ų1061 Ų6110%0.10332%0.319CS..G310 helixtrans-80.1-15.8-176.800000115.5P12 T31 E35 S36 D37P12-G33 WeakPolarHBondContact O-CA 3.34Å; P12-G33 PolarHBondContact O-N 3.43Å; T31-G33 PolarHBondContact O-N 3.47Å; T31-G33 PolarHBondContact OG1-N 3.05Å; G33-E35 PolarHBondContact O-N 3.49Å; G33-E35 VanDerWaalsContact O-N 3.12Å; G33-S36 PolarHBondContact O-N 3.19Å; G33-S36 PolarHBondContact O-OG 2.77Å; G33-D37 PolarHBondContact O-N 3.42Å
34D68.3Low63.3Low25 Ų2560.4 Ų60.413%0.13432%0.319CS..G310 helixtrans-56.1-32.3-173.8-83.91.4000113.6H30 T31 S36 C40 N42H30-D34 WeakPolarHBondContact CE1-CB 3Å; H30-D34 IonicContact CE1-OD2 3.49Å; H30-D34 IonicContact CG-OD2 2.79Å; H30-D34 IonicContact ND1-OD2 2.74Å; H30-D34 PolarHBondContact ND1-OD2 2.86Å; H30-D34 VanDerWaalsContact ND1-OD2 3.08Å; T31-D34 PolarHBondContact N-OD2 3.25Å; T31-D34 PolarHBondContact O-N 3.47Å; T31-D34 PolarHBondContact OG1-N 2.89Å; T31-D34 PolarHBondContact OG1-OD1 3.4Å; D34-S36 VanDerWaalsContact C-N 3.31Å; D34-S36 PolarHBondContact O-N 2.88Å; D34-C40 VanDerWaalsContact O-CB 3.31Å; D34-C40 WeakPolarHBondContact O-CB 3.37Å; D34-N42 PolarHBondContact OD2-ND2 3.24Å
35E55.4Low60.7Low58 Ų5860.3 Ų60.327%0.27132%0.317SS..G310 helixtrans-69.8-25.7176.8-79.7-174.4-149.500113.8L4 G33 L69 N71L4-E35 WeakPolarHBondContact CD1-OE1 3.41Å; G33-E35 PolarHBondContact O-N 3.49Å; G33-E35 VanDerWaalsContact O-N 3.12Å; E35-L69 VanDerWaalsContact OE1-C 3.24Å; E35-L69 WeakPolarHBondContact OE1-CA 3.14Å; E35-L69 WeakPolarHBondContact OE1-CB 3.49Å; E35-N71 PolarHBondContact OE2-ND2 2.97Å
36S53.9Low58.4Low83 Ų8357.8 Ų57.858%0.5830%0.3SS*.THydrogen-bonded Turntrans-91-19.5-17469.60000113.7G33 D34 P38G33-S36 PolarHBondContact O-N 3.19Å; G33-S36 PolarHBondContact O-OG 2.77Å; D34-S36 VanDerWaalsContact C-N 3.31Å; D34-S36 PolarHBondContact O-N 2.88Å; S36-P38 VanDerWaalsContact O-CD 3.3Å; S36-P38 WeakPolarHBondContact O-CD 3.11Å
37D50.3Low55.9Low52 Ų5256 Ų5628%0.27829%0.29SS..  trans-85.8113.4176-167.1-24.5000110.9G33 R39 C40G33-D37 PolarHBondContact O-N 3.42Å; D37-R39 PolarHBondContact O-N 2.99Å; D37-R39 VanDerWaalsContact OD1-CB 3.27Å; D37-R39 WeakPolarHBondContact OD1-CB 3.33Å; D37-R39 IonicContact OD1-CZ 3.31Å; D37-R39 PolarHBondContact OD1-N 2.89Å; D37-R39 IonicContact OD1-NE 3.77Å; D37-R39 PolarHBondContact OD1-NE 3.46Å; D37-R39 VanDerWaalsContact OD1-NE 3.08Å; D37-R39 IonicContact OD1-NH2 3.92Å; D37-R39 IonicContact OD2-CZ 2.84Å; D37-R39 IonicContact OD2-NE 2.85Å; D37-R39 PolarHBondContact OD2-NE 3.44Å; D37-R39 IonicContact OD2-NH2 2.73Å; D37-R39 PolarHBondContact OD2-NH2 3.44Å; D37-C40 HydrophobicContact CB-CB 4.25Å; D37-C40 WeakPolarHBondContact O-CB 3.25Å; D37-C40 PolarHBondContact O-N 3.23Å
38P42.3Very low53.6Low103 Ų10353.6 Ų53.667%0.66928%0.282SS*.THydrogen-bonded Turntrans-64-9.4177.426.6-34.5000114.3S36S36-P38 VanDerWaalsContact O-CD 3.3Å; S36-P38 WeakPolarHBondContact O-CD 3.11Å
39R35.3Very low51.3Low198 Ų19855.9 Ų55.975%0.74729%0.292SS*.THydrogen-bonded Turntrans-98.9-4176.9-55.9168-64.4171.47.4113.1D37 Q41D37-R39 PolarHBondContact O-N 2.99Å; D37-R39 VanDerWaalsContact OD1-CB 3.27Å; D37-R39 WeakPolarHBondContact OD1-CB 3.33Å; D37-R39 IonicContact OD1-CZ 3.31Å; D37-R39 PolarHBondContact OD1-N 2.89Å; D37-R39 IonicContact OD1-NE 3.77Å; D37-R39 PolarHBondContact OD1-NE 3.46Å; D37-R39 VanDerWaalsContact OD1-NE 3.08Å; D37-R39 IonicContact OD1-NH2 3.92Å; D37-R39 IonicContact OD2-CZ 2.84Å; D37-R39 IonicContact OD2-NE 2.85Å; D37-R39 PolarHBondContact OD2-NE 3.44Å; D37-R39 IonicContact OD2-NH2 2.73Å; D37-R39 PolarHBondContact OD2-NH2 3.44Å; R39-Q41 PolarHBondContact O-N 2.8Å; R39-Q41 VanDerWaalsContact O-N 3.08Å
40C44.7Very low48.9Very low22 Ų2254.3 Ų54.315%0.14929%0.286CS..  trans-67.2110-179.6-166.80000109.9D34 D37 N42 R43D34-C40 VanDerWaalsContact O-CB 3.31Å; D34-C40 WeakPolarHBondContact O-CB 3.37Å; D37-C40 HydrophobicContact CB-CB 4.25Å; D37-C40 WeakPolarHBondContact O-CB 3.25Å; D37-C40 PolarHBondContact O-N 3.23Å; C40-N42 PolarHBondContact O-N 2.86Å; C40-N42 VanDerWaalsContact O-N 3.13Å; C40-N42 VanDerWaalsContact SG-CB 3.57Å; C40-R43 VanDerWaalsContact O-CB 3.32Å; C40-R43 WeakPolarHBondContact O-CB 3.35Å; C40-R43 PolarHBondContact O-N 2.64Å; C40-R43 VanDerWaalsContact O-N 3.07Å
41Q36.6Very low46.5Very low170 Ų17055.6 Ų55.679%0.79429%0.294SS*.THydrogen-bonded Turntrans-61-18.7176-67.9-179.8-3.800111.9R39 R43R39-Q41 PolarHBondContact O-N 2.8Å; R39-Q41 VanDerWaalsContact O-N 3.08Å; Q41-R43 VanDerWaalsContact C-N 3.26Å; Q41-R43 PolarHBondContact O-N 3.1Å
42N38.8Very low43.8Very low43 Ų4356.6 Ų56.623%0.2331%0.305CS..THydrogen-bonded Turntrans-74.4-13.2177.1-60.5-16.6000113.2F28 D34 C40 D44 V45 I46F28-N42 HydrophobicContact CE2-CB 4.48Å; F28-N42 WeakPolarHBondContact CE2-OD1 3.15Å; F28-N42 HydrophobicContact CZ-CB 3.92Å; D34-N42 PolarHBondContact OD2-ND2 3.24Å; C40-N42 PolarHBondContact O-N 2.86Å; C40-N42 VanDerWaalsContact O-N 3.13Å; C40-N42 VanDerWaalsContact SG-CB 3.57Å; N42-D44 VanDerWaalsContact C-N 3.26Å; N42-D44 PolarHBondContact O-N 3.23Å; N42-V45 PolarHBondContact O-N 3.22Å; N42-I46 HydrophobicContact CB-CD1 4.34Å; N42-I46 WeakPolarHBondContact O-CB 3.17Å; N42-I46 VanDerWaalsContact O-CD1 3.31Å; N42-I46 WeakPolarHBondContact O-CD1 3.28Å; N42-I46 WeakPolarHBondContact O-CG1 3.21Å
43R37.8Very low41.5Very low77 Ų7767.1 Ų67.129%0.29135%0.345SS..Hα-helixtrans-63.5-33.5178.9-162.4-176.675.7-174.10.1112.4C40 Q41 I46 S47C40-R43 VanDerWaalsContact O-CB 3.32Å; C40-R43 WeakPolarHBondContact O-CB 3.35Å; C40-R43 PolarHBondContact O-N 2.64Å; C40-R43 VanDerWaalsContact O-N 3.07Å; Q41-R43 VanDerWaalsContact C-N 3.26Å; Q41-R43 PolarHBondContact O-N 3.1Å; R43-I46 PolarHBondContact O-N 2.9Å; R43-S47 PolarHBondContact O-N 3.13Å; R43-S47 VanDerWaalsContact O-N 3.08Å; R43-S47 PolarHBondContact O-OG 2.73Å
44D35.9Very low39.9Very low77 Ų7771.4 Ų71.441%0.41236%0.358SS..Hα-helixtrans-78.8-26.2-176.8-61-25.6000111.9N42 I46N42-D44 VanDerWaalsContact C-N 3.26Å; N42-D44 PolarHBondContact O-N 3.23Å; D44-I46 PolarHBondContact O-N 3.5Å
45V36.5Very low38.5Very low35 Ų3572 Ų7221%0.21236%0.361CS..Hα-helixtrans-67.8-20171.9175.10000111.2N42 R127N42-V45 PolarHBondContact O-N 3.22Å; V45-R127 PolarHBondContact O-NH1 2.94Å
46I38.5Very low37.8Very low6 Ų670 Ų703%0.03135%0.352CS..Hα-helixtrans-131-9.9-153.8-70172.9000113.9F28 H30 N42 R43 D44 A48 A66 L69F28-I46 HydrophobicContact CE1-CD1 4.1Å; F28-I46 HydrophobicContact CZ-CD1 4.2Å; H30-I46 WeakPolarHBondContact ND1-CD1 3.44Å; N42-I46 HydrophobicContact CB-CD1 4.34Å; N42-I46 WeakPolarHBondContact O-CB 3.17Å; N42-I46 VanDerWaalsContact O-CD1 3.31Å; N42-I46 WeakPolarHBondContact O-CD1 3.28Å; N42-I46 WeakPolarHBondContact O-CG1 3.21Å; R43-I46 PolarHBondContact O-N 2.9Å; D44-I46 PolarHBondContact O-N 3.5Å; I46-A48 PolarHBondContact O-N 2.71Å; I46-A66 WeakPolarHBondContact O-CA 3.4Å; I46-L69 HydrophobicContact CB-CD1 4.27Å; I46-L69 HydrophobicContact CD1-CD1 3.5Å; I46-L69 HydrophobicContact CG1-CD1 3.97Å; I46-L69 HydrophobicContact CG2-CB 3.04Å; I46-L69 HydrophobicContact CG2-CD1 3.28Å; I46-L69 HydrophobicContact CG2-CG 3.72Å
47S34.8Very low37.4Very low21 Ų2166.1 Ų66.115%0.14733%0.325CS..  trans-79.2105.118053.90000112.7R43 Q141 V145R43-S47 PolarHBondContact O-N 3.13Å; R43-S47 VanDerWaalsContact O-N 3.08Å; R43-S47 PolarHBondContact O-OG 2.73Å; S47-Q141 VanDerWaalsContact C-NE2 3.32Å; S47-Q141 WeakPolarHBondContact O-CG 3.44Å; S47-Q141 PolarHBondContact O-NE2 2.94Å; S47-V145 WeakPolarHBondContact OG-CG2 3.34Å
48A36.3Very low37.2Very low18 Ų1863.9 Ų63.915%0.14931%0.313CS..  trans-100.3114.4166.900000109.9I46 A50 A66 I99I46-A48 PolarHBondContact O-N 2.71Å; A48-A50 PolarHBondContact O-N 2.87Å; A48-A66 HydrophobicContact CB-CB 4.35Å; A48-I99 HydrophobicContact CB-CD1 4.13Å
49E34.8Very low37.5Very low80 Ų8059.5 Ų59.537%0.37428%0.284SS..  trans-67.7135.1173.2-160.9-171.3-166.200110.8V51 K144E49-V51 PolarHBondContact O-N 2.88Å; E49-K144 HydrophobicContact CB-CB 4.26Å; E49-K144 HydrophobicContact CB-CD 4.44Å; E49-K144 VanDerWaalsContact OE2-CD 3.25Å; E49-K144 WeakPolarHBondContact OE2-CD 3.22Å; E49-K144 WeakPolarHBondContact OE2-CE 3.24Å; E49-K144 IonicContact OE2-NZ 3.69Å; E49-K144 PolarHBondContact OE2-NZ 3.28Å
50A34.5Very low38.3Very low29 Ų2950.9 Ų50.924%0.2426%0.255CS..  trans-66.8107.8178.400000111.3A48 A52 N72A48-A50 PolarHBondContact O-N 2.87Å; A50-A52 PolarHBondContact O-N 3.12Å; A50-N72 WeakPolarHBondContact CB-OD1 3.5Å
51V30.8Very low38.5Very low31 Ų3150.7 Ų50.719%0.18825%0.253CS..  trans-66.5111.3162.4-158.70000106.9E49 R53 W54 L56 A97E49-V51 PolarHBondContact O-N 2.88Å; V51-R53 PolarHBondContact O-N 2.76Å; V51-R53 VanDerWaalsContact O-N 3.16Å; V51-W54 VanDerWaalsContact CG1-CD1 3.41Å; V51-W54 HydrophobicContact CG1-CG 4.31Å; V51-L56 HydrophobicContact CG2-CD1 4.04Å; V51-A97 HydrophobicContact CB-CB 4.45Å; V51-A97 HydrophobicContact CG1-CB 4.39Å; V51-A97 HydrophobicContact CG2-CB 3.91Å
52A28.1Very low39Very low48 Ų4843.8 Ų43.840%0.39722%0.222SC..THydrogen-bonded Turntrans-65.2115.9-169.800000111.5A50 W54A50-A52 PolarHBondContact O-N 3.12Å; A52-W54 PolarHBondContact O-NE1 3.47Å
53R28.5Very low39.5Very low224 Ų22442 Ų4285%0.84521%0.213SC*.THydrogen-bonded Turntrans6741.6166.7-149-171.2-76.6-172.7-3.8114.2V51V51-R53 PolarHBondContact O-N 2.76Å; V51-R53 VanDerWaalsContact O-N 3.16Å
54W35.5Very low40Very low99 Ų9938.6 Ų38.638%0.37520%0.201SC..SBendtrans-140.3143178.3-50106.8000113.6V51 A52 L56 T76 R96V51-W54 VanDerWaalsContact CG1-CD1 3.41Å; V51-W54 HydrophobicContact CG1-CG 4.31Å; A52-W54 PolarHBondContact O-NE1 3.47Å; W54-L56 PolarHBondContact O-N 2.87Å; W54-T76 WeakPolarHBondContact O-CG2 3.49Å; W54-R96 HydrophobicContact CB-CB 4.23Å; W54-R96 HydrophobicContact CE3-CG 4.34Å; W54-R96 HydrophobicContact CG-CB 4.47Å
55D39.1Very low40.6Very low37 Ų3735.2 Ų35.220%0.19818%0.183CC..  trans-56.4119.1175.9-57.5-59.7000111.5Q77 A93 C95 R96D55-Q77 WeakPolarHBondContact CA-O 3.4Å; D55-Q77 WeakPolarHBondContact OD1-CB 2.96Å; D55-Q77 PolarHBondContact OD1-OE1 3.43Å; D55-A93 VanDerWaalsContact CB-O 3.32Å; D55-A93 WeakPolarHBondContact CB-O 3.33Å; D55-C95 HydrophobicContact CB-CB 4.35Å; D55-C95 WeakPolarHBondContact O-CA 3.08Å; D55-C95 WeakPolarHBondContact O-CB 3.33Å; D55-R96 PolarHBondContact O-N 2.83Å
56L40.6Very low41.1Very low18 Ų1833.6 Ų33.69%0.09417%0.173CC..EExtended strand (participates in β ladder)trans-112.1128.3-174.3-167.5113.1000110.1V51 W54 T76 Q77 R78 T79 A97 I99V51-L56 HydrophobicContact CG2-CD1 4.04Å; W54-L56 PolarHBondContact O-N 2.87Å; L56-T76 HydrophobicContact CB-CG2 4.36Å; L56-Q77 PolarHBondContact N-O 2.69Å; L56-R78 WeakPolarHBondContact O-CA 2.98Å; L56-T79 PolarHBondContact O-N 2.62Å; L56-A97 HydrophobicContact CD1-CB 4.25Å; L56-I99 HydrophobicContact CD1-CD1 4Å; L56-I99 HydrophobicContact CD1-CG1 4Å; L56-I99 HydrophobicContact CD2-CD1 3.62Å; L56-I99 HydrophobicContact CD2-CG1 3.94Å; L56-I99 HydrophobicContact CG-CD1 4.26Å; L56-I99 HydrophobicContact CG-CG1 4.18Å
57T45.1Very low41.6Very low1 Ų134.1 Ų34.11%0.00618%0.175CC..EExtended strand (participates in β ladder)trans-105126.6174.4-63.30000110.8V59 T79 L81 C95 A97 V98 I99T57-V59 HydrophobicContact CG2-CG2 4.02Å; T57-T79 VanDerWaalsContact CA-O 3.26Å; T57-T79 WeakPolarHBondContact CA-O 3.44Å; T57-L81 HydrophobicContact CG2-CB 4.26Å; T57-L81 HydrophobicContact CG2-CD1 3.25Å; T57-L81 HydrophobicContact CG2-CG 3.59Å; T57-C95 PolarHBondContact OG1-SG 3.17Å; T57-A97 PolarHBondContact N-O 3.5Å; T57-V98 CarbonylContact O-C 3.18Å; T57-V98 WeakPolarHBondContact O-CA 2.91Å; T57-I99 PolarHBondContact O-N 3.05Å
58S46Very low42.3Very low4 Ų434.4 Ų34.43%0.02818%0.175CC..EExtended strand (participates in β ladder)trans-106.8130.1173.3176.90000110.1A63 T79 L81S58-A63 WeakPolarHBondContact OG-CB 3.13Å; S58-T79 PolarHBondContact N-O 2.59Å; S58-T79 VanDerWaalsContact N-O 3.13Å; S58-L81 PolarHBondContact O-N 2.64Å
59V50.1Low42.7Very low11 Ų1134 Ų347%0.06717%0.17CC..  trans-113.93.9-171.6-167.40000112.8T57 L81 P84 V98 I99 L113T57-V59 HydrophobicContact CG2-CG2 4.02Å; V59-L81 WeakPolarHBondContact CA-O 3.44Å; V59-P84 HydrophobicContact CG1-CB 4.18Å; V59-V98 HydrophobicContact CG2-CG1 3.84Å; V59-I99 PolarHBondContact N-O 2.74Å; V59-L113 HydrophobicContact CG1-CD2 4.22Å
60S52.4Low43.2Very low18 Ų1831.1 Ų31.113%0.12616%0.159CC..SBendtrans-146.9148.2-174.2-179.60000113.6L62 A63 V64 C101S60-L62 PolarHBondContact O-N 3.21Å; S60-L62 PolarHBondContact OG-N 2.91Å; S60-A63 WeakPolarHBondContact O-CA 3.33Å; S60-A63 WeakPolarHBondContact O-CB 3.47Å; S60-A63 PolarHBondContact O-N 2.79Å; S60-V64 PolarHBondContact O-N 3.45Å; S60-C101 VanDerWaalsContact CB-SG 3.6Å; S60-C101 PolarHBondContact OG-SG 3.09Å
61C48.5Very low43.7Very low17 Ų1731.5 Ų31.512%0.11516%0.157CC..Hα-helixtrans-45.9-43.9167.7-66.50000112.7A63 V64 T65 I201 L223 D225C61-A63 VanDerWaalsContact C-N 3.31Å; C61-A63 PolarHBondContact O-N 3.03Å; C61-V64 PolarHBondContact O-N 3.17Å; C61-T65 PolarHBondContact O-N 3.02Å; C61-T65 VanDerWaalsContact O-N 3.1Å; C61-I201 HydrophobicContact CB-CD1 4.12Å; C61-L223 HydrophobicContact CB-CD1 4.13Å; C61-L223 HydrophobicContact CB-CD2 4Å; C61-L223 HydrophobicContact CB-CG 4.33Å; C61-D225 WeakPolarHBondContact CB-OD1 3.37Å; C61-D225 PolarHBondContact SG-OD1 3.24Å
62L47.4Very low44.3Very low25 Ų2532.3 Ų32.313%0.13116%0.161CC..Hα-helixtrans-60.6-32.2172.9-85.8166.1000115.1W19 S60 V64 T65 A66 C101W19-L62 HydrophobicContact CE3-CD2 4.08Å; W19-L62 HydrophobicContact CH2-CD1 3.74Å; W19-L62 HydrophobicContact CH2-CD2 3.06Å; W19-L62 HydrophobicContact CH2-CG 3.32Å; W19-L62 HydrophobicContact CZ2-CD1 4.17Å; W19-L62 HydrophobicContact CZ2-CD2 3.85Å; W19-L62 HydrophobicContact CZ2-CG 3.66Å; W19-L62 HydrophobicContact CZ3-CD2 3.18Å; W19-L62 HydrophobicContact CZ3-CG 3.97Å; S60-L62 PolarHBondContact O-N 3.21Å; S60-L62 PolarHBondContact OG-N 2.91Å; L62-V64 VanDerWaalsContact C-N 3.35Å; L62-T65 PolarHBondContact O-OG1 3.38Å; L62-A66 WeakPolarHBondContact O-CB 3.49Å; L62-A66 PolarHBondContact O-N 3.41Å; L62-C101 HydrophobicContact CD1-CB 4.44Å
63A47.3Very low45Very low6 Ų632.4 Ų32.45%0.0515%0.152CC..Hα-helixtrans-82.4-20.1-179.300000111.5S58 S60 C61 E67 I99S58-A63 WeakPolarHBondContact OG-CB 3.13Å; S60-A63 WeakPolarHBondContact O-CA 3.33Å; S60-A63 WeakPolarHBondContact O-CB 3.47Å; S60-A63 PolarHBondContact O-N 2.79Å; C61-A63 VanDerWaalsContact C-N 3.31Å; C61-A63 PolarHBondContact O-N 3.03Å; A63-E67 WeakPolarHBondContact O-CB 3.44Å; A63-E67 PolarHBondContact O-N 2.97Å; A63-I99 HydrophobicContact CB-CB 4.31Å; A63-I99 HydrophobicContact CB-CG2 3.64Å
64V50Low45.6Very low6 Ų627.3 Ų27.34%0.03613%0.133CC..Hα-helixtrans-84.3-35.6173.2-179.10000111.7S60 C61 L62 E67 I68 F80 I201 V211S60-V64 PolarHBondContact O-N 3.45Å; C61-V64 PolarHBondContact O-N 3.17Å; L62-V64 VanDerWaalsContact C-N 3.35Å; V64-E67 WeakPolarHBondContact O-CB 3.03Å; V64-E67 PolarHBondContact O-N 2.98Å; V64-E67 VanDerWaalsContact O-N 3.08Å; V64-I68 HydrophobicContact CG1-CD1 4.04Å; V64-I68 HydrophobicContact CG1-CG1 4.31Å; V64-I68 WeakPolarHBondContact O-CB 3.14Å; V64-I68 WeakPolarHBondContact O-CD1 3.35Å; V64-I68 WeakPolarHBondContact O-CG1 3.4Å; V64-I68 PolarHBondContact O-N 3.07Å; V64-F80 HydrophobicContact CB-CE1 4.44Å; V64-F80 HydrophobicContact CG1-CE1 4.27Å; V64-F80 HydrophobicContact CG2-CD1 3.59Å; V64-F80 HydrophobicContact CG2-CE1 3.54Å; V64-I201 HydrophobicContact CB-CD1 3.55Å; V64-I201 HydrophobicContact CB-CG1 4.36Å; V64-I201 HydrophobicContact CG1-CB 4.45Å; V64-I201 HydrophobicContact CG1-CD1 4.13Å; V64-I201 HydrophobicContact CG1-CG2 4.4Å; V64-I201 HydrophobicContact CG2-CB 4.34Å; V64-I201 HydrophobicContact CG2-CD1 3.19Å; V64-I201 HydrophobicContact CG2-CG1 3.68Å; V64-V211 HydrophobicContact CG1-CG2 3.86Å
65T47.8Very low45.8Very low6 Ų625 Ų254%0.03713%0.129CC..Hα-helixtrans-60.7-47.216857.90000110.6L17 C61 L62 E67 I68 L69 L223L17-T65 HydrophobicContact CD2-CG2 3.29Å; C61-T65 PolarHBondContact O-N 3.02Å; C61-T65 VanDerWaalsContact O-N 3.1Å; L62-T65 PolarHBondContact O-OG1 3.38Å; T65-E67 PolarHBondContact O-N 3.12Å; T65-I68 PolarHBondContact O-N 2.97Å; T65-L69 VanDerWaalsContact O-CB 3.28Å; T65-L69 WeakPolarHBondContact O-CB 3.3Å; T65-L69 VanDerWaalsContact O-CD1 3.3Å; T65-L69 WeakPolarHBondContact O-CD1 3.34Å; T65-L69 WeakPolarHBondContact O-CG 3.42Å; T65-L69 PolarHBondContact O-N 3.43Å; T65-L223 HydrophobicContact CG2-CD2 3.38Å
66A46.7Very low46Very low1 Ų124 Ų241%0.00813%0.125CC..Hα-helixtrans-59.9-32.6170.700000112.8I46 A48 L62 S70I46-A66 WeakPolarHBondContact O-CA 3.4Å; A48-A66 HydrophobicContact CB-CB 4.35Å; L62-A66 WeakPolarHBondContact O-CB 3.49Å; L62-A66 PolarHBondContact O-N 3.41Å; A66-S70 WeakPolarHBondContact O-CA 3.45Å; A66-S70 WeakPolarHBondContact O-CB 3.34Å; A66-S70 PolarHBondContact O-N 2.98Å; A66-S70 PolarHBondContact O-OG 2.89Å
67E49.6Very low46.2Very low16 Ų1626.4 Ų26.48%0.07514%0.135CC..Hα-helixtrans-71.9-50.7177.6-174.9-177.6152.500113A63 V64 T65 L69 S70 R78 F80A63-E67 WeakPolarHBondContact O-CB 3.44Å; A63-E67 PolarHBondContact O-N 2.97Å; V64-E67 WeakPolarHBondContact O-CB 3.03Å; V64-E67 PolarHBondContact O-N 2.98Å; V64-E67 VanDerWaalsContact O-N 3.08Å; T65-E67 PolarHBondContact O-N 3.12Å; E67-L69 PolarHBondContact O-N 3.48Å; E67-S70 PolarHBondContact O-N 2.91Å; E67-S70 VanDerWaalsContact O-N 3.16Å; E67-S70 PolarHBondContact O-OG 3.45Å; E67-R78 VanDerWaalsContact CD-CD 3.45Å; E67-R78 WeakPolarHBondContact OE1-CD 3.41Å; E67-R78 IonicContact OE1-CZ 2.83Å; E67-R78 IonicContact OE1-NE 2.72Å; E67-R78 IonicContact OE1-NH1 3.44Å; E67-R78 PolarHBondContact OE1-NH1 3.35Å; E67-F80 WeakPolarHBondContact OE1-CZ 3.26Å; E67-F80 WeakPolarHBondContact OE2-CE1 3.48Å; E67-F80 WeakPolarHBondContact OE2-CZ 3.2Å
68I48.8Very low46.7Very low28 Ų2827.1 Ų27.114%0.14414%0.138CC..Hα-helixtrans-48.8-45.4176.9-72.2165.9000109.2L4 V64 T65 V211 L215L4-I68 HydrophobicContact CD1-CG2 3.97Å; L4-I68 WeakPolarHBondContact CD1-O 3.43Å; L4-I68 HydrophobicContact CD2-CG2 4.39Å; L4-I68 HydrophobicContact CG-CG2 4.43Å; V64-I68 HydrophobicContact CG1-CD1 4.04Å; V64-I68 HydrophobicContact CG1-CG1 4.31Å; V64-I68 WeakPolarHBondContact O-CB 3.14Å; V64-I68 WeakPolarHBondContact O-CD1 3.35Å; V64-I68 WeakPolarHBondContact O-CG1 3.4Å; V64-I68 PolarHBondContact O-N 3.07Å; T65-I68 PolarHBondContact O-N 2.97Å; I68-V211 HydrophobicContact CD1-CB 4.03Å; I68-V211 HydrophobicContact CD1-CG1 3.4Å; I68-V211 VanDerWaalsContact CD1-CG1 3.4Å; I68-V211 HydrophobicContact CD1-CG2 3.63Å; I68-V211 HydrophobicContact CG1-CB 4.45Å; I68-V211 HydrophobicContact CG1-CG1 3.35Å; I68-V211 HydrophobicContact CG1-CG2 4.38Å; I68-L215 HydrophobicContact CB-CD1 4.48Å; I68-L215 HydrophobicContact CD1-CD1 4.03Å; I68-L215 HydrophobicContact CG1-CD1 4.26Å; I68-L215 HydrophobicContact CG2-CD1 3.38Å
69L45.9Very low47Very low9 Ų927.8 Ų27.85%0.04714%0.142CC..THydrogen-bonded Turntrans-96-3.8-171.5-56171.7000113.8L4 H30 E35 I46 T65 E67 N71L4-L69 HydrophobicContact CD1-CD2 3.55Å; L4-L69 HydrophobicContact CD2-CD2 3.91Å; L4-L69 HydrophobicContact CG-CD2 4.38Å; H30-L69 HydrophobicContact CB-CD1 4.48Å; H30-L69 WeakPolarHBondContact CD2-CD2 3.49Å; H30-L69 WeakPolarHBondContact NE2-CD2 3.41Å; E35-L69 VanDerWaalsContact OE1-C 3.24Å; E35-L69 WeakPolarHBondContact OE1-CA 3.14Å; E35-L69 WeakPolarHBondContact OE1-CB 3.49Å; I46-L69 HydrophobicContact CB-CD1 4.27Å; I46-L69 HydrophobicContact CD1-CD1 3.5Å; I46-L69 HydrophobicContact CG1-CD1 3.97Å; I46-L69 HydrophobicContact CG2-CB 3.04Å; I46-L69 HydrophobicContact CG2-CD1 3.28Å; I46-L69 HydrophobicContact CG2-CG 3.72Å; T65-L69 VanDerWaalsContact O-CB 3.28Å; T65-L69 WeakPolarHBondContact O-CB 3.3Å; T65-L69 VanDerWaalsContact O-CD1 3.3Å; T65-L69 WeakPolarHBondContact O-CD1 3.34Å; T65-L69 WeakPolarHBondContact O-CG 3.42Å; T65-L69 PolarHBondContact O-N 3.43Å; E67-L69 PolarHBondContact O-N 3.48Å; L69-N71 PolarHBondContact O-N 3.2Å; L69-N71 VanDerWaalsContact O-N 3.11Å
70S45.3Very low47.3Very low19 Ų1928 Ų2813%0.13314%0.142CC..SBendtrans-74.45.817564.30000113.4A66 E67 N72A66-S70 WeakPolarHBondContact O-CA 3.45Å; A66-S70 WeakPolarHBondContact O-CB 3.34Å; A66-S70 PolarHBondContact O-N 2.98Å; A66-S70 PolarHBondContact O-OG 2.89Å; E67-S70 PolarHBondContact O-N 2.91Å; E67-S70 VanDerWaalsContact O-N 3.16Å; E67-S70 PolarHBondContact O-OG 3.45Å; S70-N72 WeakPolarHBondContact CB-ND2 3.37Å; S70-N72 PolarHBondContact O-N 2.9Å; S70-N72 PolarHBondContact O-ND2 3.06Å; S70-N72 PolarHBondContact OG-ND2 3.24Å
71N44.1Very low47.3Very low37 Ų3727.4 Ų27.420%0.19814%0.138CC..  trans42.538.2174.3-139.5-30.9000114.2D5 E35 L69 K73D5-N71 VanDerWaalsContact OD1-CG 3.29Å; D5-N71 PolarHBondContact OD1-ND2 3.46Å; D5-N71 PolarHBondContact OD1-OD1 3.47Å; D5-N71 PolarHBondContact OD2-OD1 3.39Å; E35-N71 PolarHBondContact OE2-ND2 2.97Å; L69-N71 PolarHBondContact O-N 3.2Å; L69-N71 VanDerWaalsContact O-N 3.11Å; N71-K73 PolarHBondContact O-N 2.84Å
72N43.3Very low47.3Very low49 Ų4931.9 Ų31.926%0.26215%0.152SC..  trans-82.888.4-164.7-99.3-47000111A50 S70 R74A50-N72 WeakPolarHBondContact CB-OD1 3.5Å; S70-N72 WeakPolarHBondContact CB-ND2 3.37Å; S70-N72 PolarHBondContact O-N 2.9Å; S70-N72 PolarHBondContact O-ND2 3.06Å; S70-N72 PolarHBondContact OG-ND2 3.24Å; N72-R74 PolarHBondContact O-N 3Å; N72-R74 VanDerWaalsContact O-N 3.09Å
73K43.9Very low47.2Very low49 Ų4933.9 Ų33.921%0.21316%0.163CC..  trans-71.811.4174-48.7-168.3-169.2-164.10113.7V1 D5 N71 P149 K150 I151 T152V1-K73 HydrophobicContact CG2-CD 3.6Å; V1-K73 VanDerWaalsContact CG2-CE 3.5Å; V1-K73 HydrophobicContact CG2-CG 3.8Å; D5-K73 WeakPolarHBondContact OD2-CE 3.49Å; D5-K73 IonicContact OD2-NZ 2.74Å; D5-K73 PolarHBondContact OD2-NZ 3.43Å; N71-K73 PolarHBondContact O-N 2.84Å; K73-P149 HydrophobicContact CB-CB 4.22Å; K73-P149 HydrophobicContact CD-CB 3.98Å; K73-P149 HydrophobicContact CD-CG 4.22Å; K73-P149 HydrophobicContact CG-CB 3.91Å; K73-K150 WeakPolarHBondContact CB-O 3.12Å; K73-I151 HydrophobicContact CD-CG1 3.81Å; K73-T152 PolarHBondContact O-OG1 2.84Å; K73-T152 VanDerWaalsContact O-OG1 3.1Å
74R39.5Very low46.9Very low117 Ų11734 Ų3444%0.44216%0.163SC..SBendtrans-105136.5173.6-72.3-174-173.3166.87.2110.5N72 T76N72-R74 PolarHBondContact O-N 3Å; N72-R74 VanDerWaalsContact O-N 3.09Å; R74-T76 PolarHBondContact O-N 2.79Å
75T40Very low46.4Very low50 Ų5043.2 Ų43.231%0.30720%0.197SC..  trans-81.198.4-173.440.90000110.5S156T75-S156 WeakPolarHBondContact CB-OG 3.42Å; T75-S156 WeakPolarHBondContact CG2-OG 3.06Å; T75-S156 PolarHBondContact OG1-OG 2.77Å
76T44.2Very low46.5Very low16 Ų1644.8 Ų44.810%0.09821%0.207CC..  trans-121.4131.2178.9-61.90000108.2W54 L56 R74 R78W54-T76 WeakPolarHBondContact O-CG2 3.49Å; L56-T76 HydrophobicContact CB-CG2 4.36Å; R74-T76 PolarHBondContact O-N 2.79Å; T76-R78 HydrophobicContact CG2-CG 4.48Å
77Q45Very low46.3Very low69 Ų6947.8 Ų47.832%0.32223%0.228SC..  trans-69.6132.6170.3-81.9-176.5-50.300109.4D55 L56 P157 L159D55-Q77 WeakPolarHBondContact CA-O 3.4Å; D55-Q77 WeakPolarHBondContact OD1-CB 2.96Å; D55-Q77 PolarHBondContact OD1-OE1 3.43Å; L56-Q77 PolarHBondContact N-O 2.69Å; Q77-P157 HydrophobicContact CG-CB 4.3Å; Q77-P157 HydrophobicContact CG-CG 3.65Å; Q77-P157 WeakPolarHBondContact CG-O 3.14Å; Q77-P157 VanDerWaalsContact NE2-CG 3.28Å; Q77-L159 HydrophobicContact CB-CD1 4.48Å
78R55.3Low46Very low16 Ų1649.1 Ų49.16%0.0625%0.246CC..EExtended strand (participates in β ladder)trans-128.5143.2-172.9-61.4-179.8-168.9149.64.6110.6L56 E67 T76 Y158L56-R78 WeakPolarHBondContact O-CA 2.98Å; E67-R78 VanDerWaalsContact CD-CD 3.45Å; E67-R78 WeakPolarHBondContact OE1-CD 3.41Å; E67-R78 IonicContact OE1-CZ 2.83Å; E67-R78 IonicContact OE1-NE 2.72Å; E67-R78 IonicContact OE1-NH1 3.44Å; E67-R78 PolarHBondContact OE1-NH1 3.35Å; T76-R78 HydrophobicContact CG2-CG 4.48Å; R78-Y158 PolarHBondContact NH1-OH 2.97Å
79T51.1Low46.1Very low19 Ų1950.3 Ų50.312%0.11725%0.248CC..EExtended strand (participates in β ladder)trans-131.1120.3177.8-60.50000109.4L56 T57 S58 L81L56-T79 PolarHBondContact O-N 2.62Å; T57-T79 VanDerWaalsContact CA-O 3.26Å; T57-T79 WeakPolarHBondContact CA-O 3.44Å; S58-T79 PolarHBondContact N-O 2.59Å; S58-T79 VanDerWaalsContact N-O 3.13Å; T79-L81 HydrophobicContact CG2-CD2 4.02Å; T79-L81 HydrophobicContact CG2-CG 4.42Å
80F56.4Low46.3Very low15 Ų1550.2 Ų50.27%0.06625%0.249CC..EExtended strand (participates in β ladder)trans-91.4131.6177.2-59.8-84.8000110.3V64 E67 Q207V64-F80 HydrophobicContact CB-CE1 4.44Å; V64-F80 HydrophobicContact CG1-CE1 4.27Å; V64-F80 HydrophobicContact CG2-CD1 3.59Å; V64-F80 HydrophobicContact CG2-CE1 3.54Å; E67-F80 WeakPolarHBondContact OE1-CZ 3.26Å; E67-F80 WeakPolarHBondContact OE2-CE1 3.48Å; E67-F80 WeakPolarHBondContact OE2-CZ 3.2Å; F80-Q207 VanDerWaalsContact CD2-CD 3.46Å; F80-Q207 HydrophobicContact CD2-CG 3.97Å; F80-Q207 HydrophobicContact CE2-CG 4.21Å
81L52.6Low46.4Very low6 Ų654.3 Ų54.33%0.03127%0.272CS..  trans-123.5119.4-179.7-62.4-177.5000110.7T57 S58 V59 T79 N83 R89T57-L81 HydrophobicContact CG2-CB 4.26Å; T57-L81 HydrophobicContact CG2-CD1 3.25Å; T57-L81 HydrophobicContact CG2-CG 3.59Å; S58-L81 PolarHBondContact O-N 2.64Å; V59-L81 WeakPolarHBondContact CA-O 3.44Å; T79-L81 HydrophobicContact CG2-CD2 4.02Å; T79-L81 HydrophobicContact CG2-CG 4.42Å; L81-N83 VanDerWaalsContact C-N 3.27Å; L81-N83 PolarHBondContact O-N 2.72Å; L81-R89 HydrophobicContact CD1-CB 4.49Å; L81-R89 HydrophobicContact CD2-CB 3.83Å; L81-R89 HydrophobicContact CD2-CG 4.23Å
82R48.2Very low46.4Very low111 Ų11156.9 Ų56.942%0.41929%0.293SS..SBendtrans-62.3-32.6172.9-177.4179.7178.3-141.7-0.1113.3
83N45.8Very low46.7Very low67 Ų6755.4 Ų55.436%0.35829%0.288SS..  trans-143.1134.8-173.1-89.5-24.2000111.4L81 W85 T86L81-N83 VanDerWaalsContact C-N 3.27Å; L81-N83 PolarHBondContact O-N 2.72Å; N83-W85 PolarHBondContact O-N 2.74Å; N83-W85 VanDerWaalsContact O-N 3.09Å; N83-T86 PolarHBondContact O-N 3.4Å; N83-T86 PolarHBondContact O-OG1 2.86Å
84P41.8Very low47.2Very low7 Ų760.4 Ų60.45%0.04531%0.312CS..THydrogen-bonded Turntrans-68.5-6.2179.126.3-34.3000114.4V59 T86 L113 A116 T120V59-P84 HydrophobicContact CG1-CB 4.18Å; P84-T86 PolarHBondContact O-N 2.78Å; P84-L113 HydrophobicContact CG-CD2 4.25Å; P84-A116 HydrophobicContact CB-CB 3.33Å; P84-A116 HydrophobicContact CG-CB 3.15Å; P84-T120 PolarHBondContact O-OG1 3.08Å
85W39.2Very low47.9Very low200 Ų20055.5 Ų55.576%0.75830%0.296SS*.THydrogen-bonded Turntrans-73.4-3.2175-57.696.5000114.3N83 S87N83-W85 PolarHBondContact O-N 2.74Å; N83-W85 VanDerWaalsContact O-N 3.09Å; W85-S87 PolarHBondContact O-N 3.29Å; W85-S87 VanDerWaalsContact O-N 3.1Å
86T49.5Very low48.6Very low39 Ų3960.1 Ų60.124%0.23931%0.308CS..  trans-88.456.9-179.750.70000111.5N83 P84 G88 R89N83-T86 PolarHBondContact O-N 3.4Å; N83-T86 PolarHBondContact O-OG1 2.86Å; P84-T86 PolarHBondContact O-N 2.78Å; T86-G88 PolarHBondContact O-N 3.37Å; T86-G88 VanDerWaalsContact O-N 3.14Å; T86-R89 WeakPolarHBondContact O-CB 3.47Å; T86-R89 PolarHBondContact O-N 2.99Å
87S42.6Very low49.2Very low65 Ų6559.5 Ų59.546%0.45530%0.304SS..Hα-helixtrans-57.4-28.5178.155.70000114.2W85 R89 V91W85-S87 PolarHBondContact O-N 3.29Å; W85-S87 VanDerWaalsContact O-N 3.1Å; S87-R89 VanDerWaalsContact C-N 3.28Å; S87-R89 PolarHBondContact O-N 3.3Å; S87-V91 VanDerWaalsContact O-CG2 3.25Å; S87-V91 WeakPolarHBondContact O-CG2 2.88Å; S87-V91 PolarHBondContact O-N 3.19Å
88G43.6Very low50Low43 Ų4356.3 Ų56.344%0.44329%0.289SS..Hα-helixtrans-62.1-30.9171.100000114.2T86 S92T86-G88 PolarHBondContact O-N 3.37Å; T86-G88 VanDerWaalsContact O-N 3.14Å; G88-S92 VanDerWaalsContact O-CB 3.23Å; G88-S92 WeakPolarHBondContact O-CB 2.93Å; G88-S92 PolarHBondContact O-N 3.16Å; G88-S92 PolarHBondContact O-OG 3.36Å; G88-S92 VanDerWaalsContact O-OG 3.06Å
89R51Low50.4Low53 Ų5357.1 Ų57.120%0.229%0.294CS..Hα-helixtrans-80.7-45-173.5-72.8-174.1-175.6179.914.3113.5L81 T86 S87 V91 S92 A93 P162L81-R89 HydrophobicContact CD1-CB 4.49Å; L81-R89 HydrophobicContact CD2-CB 3.83Å; L81-R89 HydrophobicContact CD2-CG 4.23Å; T86-R89 WeakPolarHBondContact O-CB 3.47Å; T86-R89 PolarHBondContact O-N 2.99Å; S87-R89 VanDerWaalsContact C-N 3.28Å; S87-R89 PolarHBondContact O-N 3.3Å; R89-V91 VanDerWaalsContact C-N 3.29Å; R89-V91 PolarHBondContact O-N 3.15Å; R89-S92 WeakPolarHBondContact CA-OG 3.44Å; R89-S92 PolarHBondContact O-N 2.82Å; R89-S92 PolarHBondContact O-OG 3.2Å; R89-A93 VanDerWaalsContact O-CB 3.26Å; R89-A93 WeakPolarHBondContact O-CB 3.47Å; R89-A93 PolarHBondContact O-N 2.86Å; R89-P162 VanDerWaalsContact CZ-O 3.22Å; R89-P162 PolarHBondContact NE-O 3.41Å; R89-P162 PolarHBondContact NH2-O 3.21Å
90S50.4Low51Low8 Ų856.3 Ų56.36%0.05629%0.289CS..Hα-helixtrans-66.3-34.9177.1-55.90000111.9Q94 C95 C121S90-Q94 PolarHBondContact O-N 3.29Å; S90-C95 PolarHBondContact O-N 3.16Å; S90-C121 WeakPolarHBondContact CB-SG 3.5Å
91V46.4Very low51.4Low104 Ų10456 Ų5663%0.6329%0.289SS*.Hα-helixtrans-70.2-42.4173.91760000111.2S87 R89 A93 Q94S87-V91 VanDerWaalsContact O-CG2 3.25Å; S87-V91 WeakPolarHBondContact O-CG2 2.88Å; S87-V91 PolarHBondContact O-N 3.19Å; R89-V91 VanDerWaalsContact C-N 3.29Å; R89-V91 PolarHBondContact O-N 3.15Å; V91-A93 VanDerWaalsContact C-N 3.32Å; V91-A93 PolarHBondContact O-N 3.35Å; V91-Q94 PolarHBondContact O-N 3.25Å
92S43.8Very low52.1Low91 Ų9156.4 Ų56.464%0.63629%0.291SS*.Hα-helixtrans-67.1-32.5177.363.90000113.2G88 R89 Q94G88-S92 VanDerWaalsContact O-CB 3.23Å; G88-S92 WeakPolarHBondContact O-CB 2.93Å; G88-S92 PolarHBondContact O-N 3.16Å; G88-S92 PolarHBondContact O-OG 3.36Å; G88-S92 VanDerWaalsContact O-OG 3.06Å; R89-S92 WeakPolarHBondContact CA-OG 3.44Å; R89-S92 PolarHBondContact O-N 2.82Å; R89-S92 PolarHBondContact O-OG 3.2Å; S92-Q94 VanDerWaalsContact C-N 3.32Å
93A49.9Very low53.1Low19 Ų1954.4 Ų54.416%0.15729%0.286CS..THydrogen-bonded Turntrans-885178.900000113.5D55 R89 V91 C95D55-A93 VanDerWaalsContact CB-O 3.32Å; D55-A93 WeakPolarHBondContact CB-O 3.33Å; R89-A93 VanDerWaalsContact O-CB 3.26Å; R89-A93 WeakPolarHBondContact O-CB 3.47Å; R89-A93 PolarHBondContact O-N 2.86Å; V91-A93 VanDerWaalsContact C-N 3.32Å; V91-A93 PolarHBondContact O-N 3.35Å; A93-C95 VanDerWaalsContact CB-SG 3.51Å; A93-C95 PolarHBondContact O-N 3.34Å
94Q55.2Low54.4Low154 Ų15452 Ų5272%0.7228%0.278SS*.THydrogen-bonded Turntrans48.633.9179-58.7-173.51.100114.4S90 V91 S92 R96S90-Q94 PolarHBondContact O-N 3.29Å; V91-Q94 PolarHBondContact O-N 3.25Å; S92-Q94 VanDerWaalsContact C-N 3.32Å; Q94-R96 PolarHBondContact O-N 3.15Å
95C54.4Low56.1Low14 Ų1455 Ų5510%0.09530%0.295CS..  trans-64.1131.5-173.3-60.60000112.4D55 T57 S90 A93D55-C95 HydrophobicContact CB-CB 4.35Å; D55-C95 WeakPolarHBondContact O-CA 3.08Å; D55-C95 WeakPolarHBondContact O-CB 3.33Å; T57-C95 PolarHBondContact OG1-SG 3.17Å; S90-C95 PolarHBondContact O-N 3.16Å; A93-C95 VanDerWaalsContact CB-SG 3.51Å; A93-C95 PolarHBondContact O-N 3.34Å
96R53.7Low58.2Low147 Ų14750 Ų5056%0.55528%0.276SS*.SBendtrans-100.9-14178.7-59.9-166.4-174.3-166.4-3.1113.5W54 D55 Q94 S123W54-R96 HydrophobicContact CB-CB 4.23Å; W54-R96 HydrophobicContact CE3-CG 4.34Å; W54-R96 HydrophobicContact CG-CB 4.47Å; D55-R96 PolarHBondContact O-N 2.83Å; Q94-R96 PolarHBondContact O-N 3.15Å; R96-S123 WeakPolarHBondContact O-CB 3.32Å; R96-S123 PolarHBondContact O-OG 3.49Å; R96-S123 VanDerWaalsContact O-OG 3.1Å
97A57.7Low60Low2 Ų249 Ų492%0.01727%0.274CS..EExtended strand (participates in β ladder)trans-142.5145.2175.800000109.9V51 L56 T57V51-A97 HydrophobicContact CB-CB 4.45Å; V51-A97 HydrophobicContact CG1-CB 4.39Å; V51-A97 HydrophobicContact CG2-CB 3.91Å; L56-A97 HydrophobicContact CD1-CB 4.25Å; T57-A97 PolarHBondContact N-O 3.5Å
98V61.5Low62Low3 Ų347.7 Ų47.72%0.01827%0.271CS..EExtended strand (participates in β ladder)trans-126.1136.4175.2174.60000106.5T57 V59 A117 C121 V124 Q125T57-V98 CarbonylContact O-C 3.18Å; T57-V98 WeakPolarHBondContact O-CA 2.91Å; V59-V98 HydrophobicContact CG2-CG1 3.84Å; V98-A117 HydrophobicContact CG1-CB 4.48Å; V98-C121 HydrophobicContact CG2-CB 3.96Å; V98-V124 HydrophobicContact CB-CB 4.35Å; V98-V124 HydrophobicContact CB-CG1 3.89Å; V98-V124 HydrophobicContact CB-CG2 4.05Å; V98-V124 HydrophobicContact CG1-CG1 4.26Å; V98-V124 HydrophobicContact CG2-CG2 4.17Å; V98-Q125 CarbonylContact O-C 3.57Å; V98-Q125 PolarHBondContact O-N 2.91Å; V98-Q125 VanDerWaalsContact O-N 3.09Å
99I64.2Low64Low32 Ų3254.9 Ų54.916%0.16429%0.285CS..EExtended strand (participates in β ladder)trans-103.7124.3168.8-56.5-173.5000107.7A48 L56 T57 V59 A63A48-I99 HydrophobicContact CB-CD1 4.13Å; L56-I99 HydrophobicContact CD1-CD1 4Å; L56-I99 HydrophobicContact CD1-CG1 4Å; L56-I99 HydrophobicContact CD2-CD1 3.62Å; L56-I99 HydrophobicContact CD2-CG1 3.94Å; L56-I99 HydrophobicContact CG-CD1 4.26Å; L56-I99 HydrophobicContact CG-CG1 4.18Å; T57-I99 PolarHBondContact O-N 3.05Å; V59-I99 PolarHBondContact N-O 2.74Å; A63-I99 HydrophobicContact CB-CB 4.31Å; A63-I99 HydrophobicContact CB-CG2 3.64Å
100T63.5Low65.5Low2 Ų256.4 Ų56.41%0.01230%0.3CS..EExtended strand (participates in β ladder)trans-147.4157-179.4-170.90000110.8A117 V124 H126 R127T100-A117 HydrophobicContact CG2-CB 4.11Å; T100-V124 HydrophobicContact CG2-CG1 4.16Å; T100-H126 VanDerWaalsContact CG2-ND1 3.29Å; T100-H126 WeakPolarHBondContact CG2-ND1 3.39Å; T100-R127 PolarHBondContact O-N 2.77Å
101C65.1Low66.6Low8 Ų859 Ų595%0.05431%0.313CS..EExtended strand (participates in β ladder)trans-93.4168.5162.957.20000111.1S60 L62 Q103 L113 K114 R127S60-C101 VanDerWaalsContact CB-SG 3.6Å; S60-C101 PolarHBondContact OG-SG 3.09Å; L62-C101 HydrophobicContact CD1-CB 4.44Å; C101-Q103 PolarHBondContact SG-O 2.75Å; C101-L113 WeakPolarHBondContact O-CB 3.46Å; C101-L113 WeakPolarHBondContact SG-CD1 3.49Å; C101-K114 PolarHBondContact O-N 2.83Å; C101-R127 WeakPolarHBondContact CA-O 3.27Å
102N67.6Low68Low15 Ų1558.7 Ų58.78%0.0830%0.304CS..SBendtrans-58.9-60.4171.3-89.4-12.1000111.9L113 K114 R127 T128 Q130 A132N102-L113 PolarHBondContact O-N 3.22Å; N102-K114 PolarHBondContact O-N 3.13Å; N102-K114 VanDerWaalsContact OD1-CD 3.3Å; N102-K114 WeakPolarHBondContact OD1-CD 3.47Å; N102-R127 PolarHBondContact N-O 3.32Å; N102-T128 HydrophobicContact CB-CG2 4.14Å; N102-T128 WeakPolarHBondContact ND2-CB 3.43Å; N102-T128 WeakPolarHBondContact ND2-CG2 3.48Å; N102-T128 WeakPolarHBondContact OD1-CG2 3.2Å; N102-Q130 PolarHBondContact ND2-O 3.46Å; N102-A132 VanDerWaalsContact ND2-CB 3.3Å; N102-A132 WeakPolarHBondContact ND2-CB 3.4Å; N102-A132 VanDerWaalsContact OD1-CB 3.28Å; N102-A132 WeakPolarHBondContact OD1-CB 3.42Å
103Q68Low69.3Low69 Ų6954.8 Ų54.832%0.32228%0.276SS..EExtended strand (participates in β ladder)trans-134.9146.9-171.9-73.1170.9-9.700108.4C101 V110 I111 E112C101-Q103 PolarHBondContact SG-O 2.75Å; Q103-V110 HydrophobicContact CB-CG1 3.94Å; Q103-V110 VanDerWaalsContact CD-CG1 3.48Å; Q103-V110 HydrophobicContact CG-CG1 3.72Å; Q103-I111 CarbonylContact C-O 3.59Å; Q103-I111 WeakPolarHBondContact CA-O 3.45Å; Q103-E112 WeakPolarHBondContact CG-OE2 3.18Å; Q103-E112 PolarHBondContact NE2-OE1 3.18Å; Q103-E112 PolarHBondContact NE2-OE2 3.38Å
104G73.2Confident70.2Confident17 Ų1755 Ų5518%0.17527%0.274CS..EExtended strand (participates in β ladder)trans-112.5153.5161.800000108.7V110 I111G104-V110 CarbonylContact O-C 3.53Å; G104-V110 WeakPolarHBondContact O-CA 3.23Å; G104-I111 PolarHBondContact N-O 2.91Å; G104-I111 PolarHBondContact O-N 2.84Å
105V77.9Confident70.9Confident69 Ų6950 Ų5042%0.41826%0.259SS..EExtended strand (participates in β ladder)trans-115.8130171.7-167.30000107.6D22 R109D22-V105 HydrophobicContact CB-CB 4.34Å; D22-V105 HydrophobicContact CB-CG1 4.25Å; D22-V105 WeakPolarHBondContact OD2-CG1 3.23Å; V105-R109 WeakPolarHBondContact CA-O 3.36Å
106R83.4Confident71.5Confident95 Ų9550 Ų5036%0.35826%0.26SS..EExtended strand (participates in β ladder)trans-149.5121.1179.5-176.5159.6-168-104-0.6111.3G108 R109 I111 D225 S226 T227R106-G108 VanDerWaalsContact C-N 3.3Å; R106-G108 PolarHBondContact O-N 3.11Å; R106-R109 PolarHBondContact N-O 3.11Å; R106-R109 WeakPolarHBondContact O-CB 3.41Å; R106-R109 PolarHBondContact O-N 2.59Å; R106-R109 VanDerWaalsContact O-N 3.16Å; R106-I111 HydrophobicContact CB-CD1 4.04Å; R106-D225 WeakPolarHBondContact CD-O 3.43Å; R106-D225 VanDerWaalsContact CG-O 3.28Å; R106-D225 WeakPolarHBondContact CG-O 3.48Å; R106-S226 PolarHBondContact NE-O 2.94Å; R106-T227 HydrophobicContact CG-CG2 3.96Å
107G86.4Confident71.9Confident18 Ų1843.3 Ų43.319%0.18624%0.236CC..THydrogen-bonded Turntrans5939.9-175.600000112.8D22 R109 Y230D22-G107 VanDerWaalsContact CG-N 3.28Å; D22-G107 PolarHBondContact OD1-N 3.03Å; D22-G107 PolarHBondContact OD2-N 3.1Å; D22-G107 VanDerWaalsContact OD2-N 3.13Å; G107-R109 PolarHBondContact O-N 3.04Å; G107-Y230 VanDerWaalsContact C-CD2 3.47Å
108G86.3Confident72.3Confident39 Ų3946.9 Ų46.940%0.40226%0.257SS..THydrogen-bonded Turntrans71.67.2-175.900000114.5D22 R106D22-G108 WeakPolarHBondContact OD2-CA 3.49Å; D22-G108 PolarHBondContact OD2-N 3.22Å; R106-G108 VanDerWaalsContact C-N 3.3Å; R106-G108 PolarHBondContact O-N 3.11Å
109R84.8Confident72.4Confident194 Ų19454.9 Ų54.973%0.73229%0.292SS*.EExtended strand (participates in β ladder)trans-108130.9-178.4-61.7-176.4-177.4-173.51111.4V105 R106 G107V105-R109 WeakPolarHBondContact CA-O 3.36Å; R106-R109 PolarHBondContact N-O 3.11Å; R106-R109 WeakPolarHBondContact O-CB 3.41Å; R106-R109 PolarHBondContact O-N 2.59Å; R106-R109 VanDerWaalsContact O-N 3.16Å; G107-R109 PolarHBondContact O-N 3.04Å
110V81.6Confident71.9Confident84 Ų8454.8 Ų54.851%0.50929%0.293SS..EExtended strand (participates in β ladder)trans-78.2129.3172.5-1770000109.8Q103 G104Q103-V110 HydrophobicContact CB-CG1 3.94Å; Q103-V110 VanDerWaalsContact CD-CG1 3.48Å; Q103-V110 HydrophobicContact CG-CG1 3.72Å; G104-V110 CarbonylContact O-C 3.53Å; G104-V110 WeakPolarHBondContact O-CA 3.23Å
111I74.9Confident71.4Confident64 Ų6455.1 Ų55.133%0.32830%0.295SS..EExtended strand (participates in β ladder)trans-113.5116.7178.1-56.4174.8000108.1Q103 G104 R106 L113Q103-I111 CarbonylContact C-O 3.59Å; Q103-I111 WeakPolarHBondContact CA-O 3.45Å; G104-I111 PolarHBondContact N-O 2.91Å; G104-I111 PolarHBondContact O-N 2.84Å; R106-I111 HydrophobicContact CB-CD1 4.04Å; I111-L113 HydrophobicContact CG2-CD2 3.77Å; I111-L113 HydrophobicContact CG2-CG 4.09Å; I111-L113 PolarHBondContact O-N 2.88Å
112E74.6Confident70.6Confident96 Ų9659.8 Ų59.845%0.44933%0.325SS..EExtended strand (participates in β ladder)trans-7783.3179.2-63.4-62.7157.700112Q103 A115 A116Q103-E112 WeakPolarHBondContact CG-OE2 3.18Å; Q103-E112 PolarHBondContact NE2-OE1 3.18Å; Q103-E112 PolarHBondContact NE2-OE2 3.38Å; E112-A115 HydrophobicContact CB-CB 4.05Å; E112-A116 PolarHBondContact O-N 3.5Å
113L71.8Confident69.5Low10 Ų1061.3 Ų61.35%0.05234%0.337CS..Hα-helixtrans-72-42.7-175.1-66.9171.2000112.2V59 P84 C101 N102 I111 A116 A117V59-L113 HydrophobicContact CG1-CD2 4.22Å; P84-L113 HydrophobicContact CG-CD2 4.25Å; C101-L113 WeakPolarHBondContact O-CB 3.46Å; C101-L113 WeakPolarHBondContact SG-CD1 3.49Å; N102-L113 PolarHBondContact O-N 3.22Å; I111-L113 HydrophobicContact CG2-CD2 3.77Å; I111-L113 HydrophobicContact CG2-CG 4.09Å; I111-L113 PolarHBondContact O-N 2.88Å; L113-A116 PolarHBondContact O-N 2.81Å; L113-A117 WeakPolarHBondContact O-CB 3.11Å; L113-A117 PolarHBondContact O-N 3.12Å
114K69.6Low68.4Low23 Ų2358.3 Ų58.310%0.132%0.324CS..Hα-helixtrans-61.7-49.4177.5174172.9-172.6175.60111.9C101 N102 A116 A117 V118 A132 V133 D138C101-K114 PolarHBondContact O-N 2.83Å; N102-K114 PolarHBondContact O-N 3.13Å; N102-K114 VanDerWaalsContact OD1-CD 3.3Å; N102-K114 WeakPolarHBondContact OD1-CD 3.47Å; K114-A116 PolarHBondContact O-N 2.8Å; K114-A116 VanDerWaalsContact O-N 3.16Å; K114-A117 PolarHBondContact O-N 3.2Å; K114-A117 VanDerWaalsContact O-N 3.17Å; K114-V118 HydrophobicContact CG-CG2 4.28Å; K114-V118 WeakPolarHBondContact O-CG2 3.48Å; K114-V118 PolarHBondContact O-N 3.12Å; K114-A132 HydrophobicContact CD-CB 4.31Å; K114-V133 PolarHBondContact NZ-O 3.14Å; K114-D138 WeakPolarHBondContact CE-OD2 3.43Å; K114-D138 IonicContact NZ-OD2 3.08Å; K114-D138 PolarHBondContact NZ-OD2 2.98Å
115A69.3Low67.1Low50 Ų5060.6 Ų60.641%0.41333%0.33SS..Hα-helixtrans-59-32.1-176.900000112.2E112 K119E112-A115 HydrophobicContact CB-CB 4.05Å; A115-K119 WeakPolarHBondContact O-CG 3.29Å
116A66.8Low65.9Low14 Ų1457.7 Ų57.712%0.11631%0.312CS..Hα-helixtrans-87.9-30179.600000113P84 E112 L113 K114 T120P84-A116 HydrophobicContact CB-CB 3.33Å; P84-A116 HydrophobicContact CG-CB 3.15Å; E112-A116 PolarHBondContact O-N 3.5Å; L113-A116 PolarHBondContact O-N 2.81Å; K114-A116 PolarHBondContact O-N 2.8Å; K114-A116 VanDerWaalsContact O-N 3.16Å; A116-T120 PolarHBondContact O-OG1 3.46Å
117A63.1Low63.9Low6 Ų654.3 Ų54.35%0.0530%0.299CS..Hα-helixtrans-65.7-43.7172.700000112.7V98 T100 L113 K114 K119 T120 C121V98-A117 HydrophobicContact CG1-CB 4.48Å; T100-A117 HydrophobicContact CG2-CB 4.11Å; L113-A117 WeakPolarHBondContact O-CB 3.11Å; L113-A117 PolarHBondContact O-N 3.12Å; K114-A117 PolarHBondContact O-N 3.2Å; K114-A117 VanDerWaalsContact O-N 3.17Å; A117-K119 VanDerWaalsContact C-N 3.32Å; A117-K119 PolarHBondContact O-N 3.14Å; A117-T120 PolarHBondContact O-N 3.05Å; A117-C121 PolarHBondContact O-N 3.32Å
118V65.1Low61.5Low76 Ų7655 Ų5546%0.46130%0.299SS..Hα-helixtrans-66.2-32.2-178.7174.30000112.6K114 T120K114-V118 HydrophobicContact CG-CG2 4.28Å; K114-V118 WeakPolarHBondContact O-CG2 3.48Å; K114-V118 PolarHBondContact O-N 3.12Å; V118-T120 PolarHBondContact O-N 2.93Å
119K62.7Low59.1Low171 Ų17160 Ų6074%0.74331%0.312SS*.Hα-helixtrans-63.3-24.8174-75.9176-176.9178.50112.8A115 A117A115-K119 WeakPolarHBondContact O-CG 3.29Å; A117-K119 VanDerWaalsContact C-N 3.32Å; A117-K119 PolarHBondContact O-N 3.14Å
120T55.6Low57.1Low30 Ų3057 Ų5718%0.18431%0.306CS..Hα-helixtrans-103.7-34.2-167.2-64.70000112.5P84 A116 A117 V118P84-T120 PolarHBondContact O-OG1 3.08Å; A116-T120 PolarHBondContact O-OG1 3.46Å; A117-T120 PolarHBondContact O-N 3.05Å; V118-T120 PolarHBondContact O-N 2.93Å
121C52.5Low55.4Low9 Ų961.8 Ų61.86%0.06133%0.328CS..  trans-132.1121.7-178.9-67.30000110.1S90 V98 A117 S123 V124S90-C121 WeakPolarHBondContact CB-SG 3.5Å; V98-C121 HydrophobicContact CG2-CB 3.96Å; A117-C121 PolarHBondContact O-N 3.32Å; C121-S123 PolarHBondContact O-N 2.96Å; C121-V124 HydrophobicContact CB-CG2 3.84Å; C121-V124 VanDerWaalsContact O-CG2 3.23Å; C121-V124 WeakPolarHBondContact O-CG2 3.22Å
122P48.5Very low54.4Low107 Ų10760.2 Ų60.270%0.69533%0.325SS*.SBendtrans-76.30.3174.428.8-32.4000113.6M137P122-M137 WeakPolarHBondContact O-CE 3.35Å
123S43.4Very low53.7Low46 Ų4662.1 Ų62.132%0.32234%0.343SS..SBendtrans-126.290.9177.8560000110.6R96 C121R96-S123 WeakPolarHBondContact O-CB 3.32Å; R96-S123 PolarHBondContact O-OG 3.49Å; R96-S123 VanDerWaalsContact O-OG 3.1Å; C121-S123 PolarHBondContact O-N 2.96Å
124V45.2Very low53Low7 Ų765.3 Ų65.34%0.04236%0.359CS..  trans-128.3141.3-174.3-178.50000110.2V98 T100 C121 H126V98-V124 HydrophobicContact CB-CB 4.35Å; V98-V124 HydrophobicContact CB-CG1 3.89Å; V98-V124 HydrophobicContact CB-CG2 4.05Å; V98-V124 HydrophobicContact CG1-CG1 4.26Å; V98-V124 HydrophobicContact CG2-CG2 4.17Å; T100-V124 HydrophobicContact CG2-CG1 4.16Å; C121-V124 HydrophobicContact CB-CG2 3.84Å; C121-V124 VanDerWaalsContact O-CG2 3.23Å; C121-V124 WeakPolarHBondContact O-CG2 3.22Å; V124-H126 WeakPolarHBondContact CG1-CE1 3.38Å; V124-H126 WeakPolarHBondContact CG1-NE2 3.46Å
125Q45.9Very low52.6Low64 Ų6466.1 Ų66.130%0.29937%0.373SS..EExtended strand (participates in β ladder)trans-120.1142.4174.2-63.9-178.3-2.700108.4V98 I139V98-Q125 CarbonylContact O-C 3.57Å; V98-Q125 PolarHBondContact O-N 2.91Å; V98-Q125 VanDerWaalsContact O-N 3.09Å; Q125-I139 HydrophobicContact CG-CD1 4.2Å
126H53Low52.1Low9 Ų974.2 Ų74.24%0.04240%0.399CS..EExtended strand (participates in β ladder)trans-130162-151.3-75.5-77.1000116.6T100 V124 D138 I139 Q141T100-H126 VanDerWaalsContact CG2-ND1 3.29Å; T100-H126 WeakPolarHBondContact CG2-ND1 3.39Å; V124-H126 WeakPolarHBondContact CG1-CE1 3.38Å; V124-H126 WeakPolarHBondContact CG1-NE2 3.46Å; H126-D138 HydrophobicContact CB-CB 4.45Å; H126-D138 IonicContact CD2-OD1 3.97Å; H126-D138 PolarHBondContact CD2-OD1 3.43Å; H126-D138 VanDerWaalsContact CD2-OD1 3.31Å; H126-D138 IonicContact CD2-OD2 2.74Å; H126-D138 IonicContact NE2-OD1 3.72Å; H126-D138 PolarHBondContact NE2-OD1 3.32Å; H126-I139 CarbonylContact C-O 3.51Å; H126-I139 PolarHBondContact N-O 2.89Å; H126-Q141 PolarHBondContact O-N 3.13Å
127R40.7Very low51.7Low24 Ų2479.1 Ų79.19%0.09142%0.421CS..EExtended strand (participates in β ladder)trans-131.9144.1163.9-175.1-160.2169161.2-11.1111.6V45 T100 C101 N102 E129 Q141V45-R127 PolarHBondContact O-NH1 2.94Å; T100-R127 PolarHBondContact O-N 2.77Å; C101-R127 WeakPolarHBondContact CA-O 3.27Å; N102-R127 PolarHBondContact N-O 3.32Å; R127-E129 IonicContact CZ-OE1 3.62Å; R127-E129 IonicContact NH2-OE1 3.08Å; R127-E129 PolarHBondContact NH2-OE1 2.65Å; R127-Q141 HydrophobicContact CB-CB 4.22Å; R127-Q141 HydrophobicContact CG-CB 4.11Å; R127-Q141 VanDerWaalsContact CG-OE1 3.23Å
128T36.3Very low51.5Low32 Ų3280.2 Ų80.220%0.19643%0.426CS..  trans-150.6141.3172.666.40000116.2N102 Q130N102-T128 HydrophobicContact CB-CG2 4.14Å; N102-T128 WeakPolarHBondContact ND2-CB 3.43Å; N102-T128 WeakPolarHBondContact ND2-CG2 3.48Å; N102-T128 WeakPolarHBondContact OD1-CG2 3.2Å; T128-Q130 WeakPolarHBondContact CB-O 3.42Å; T128-Q130 PolarHBondContact OG1-O 3.18Å
129E35.5Very low51.3Low144 Ų14478.9 Ų78.967%0.67342%0.416SS*.SBendtrans-101.4-5.6166.7-74176.6-167.600113.8R127R127-E129 IonicContact CZ-OE1 3.62Å; R127-E129 IonicContact NH2-OE1 3.08Å; R127-E129 PolarHBondContact NH2-OE1 2.65Å
130Q42.4Very low51.1Low130 Ų13072.4 Ų72.461%0.60739%0.391SS*.SBendtrans-121.4142.4165.1-93.3-174.9-8.400109.4N102 T128 A132N102-Q130 PolarHBondContact ND2-O 3.46Å; T128-Q130 WeakPolarHBondContact CB-O 3.42Å; T128-Q130 PolarHBondContact OG1-O 3.18Å; Q130-A132 VanDerWaalsContact C-N 3.31Å; Q130-A132 PolarHBondContact O-N 3.14Å
131L46.7Very low51Low185 Ų18572.2 Ų72.297%0.96939%0.388SS*.  trans-65.185.5179.6-78.1158.7000111
132A54.7Low50.9Low32 Ų3278.6 Ų78.626%0.26442%0.417SS..PPolyproline II helixtrans-79.9150.3164.900000109.6N102 K114 Q130 M134N102-A132 VanDerWaalsContact ND2-CB 3.3Å; N102-A132 WeakPolarHBondContact ND2-CB 3.4Å; N102-A132 VanDerWaalsContact OD1-CB 3.28Å; N102-A132 WeakPolarHBondContact OD1-CB 3.42Å; K114-A132 HydrophobicContact CD-CB 4.31Å; Q130-A132 VanDerWaalsContact C-N 3.31Å; Q130-A132 PolarHBondContact O-N 3.14Å; A132-M134 PolarHBondContact O-N 3.27Å; A132-M134 VanDerWaalsContact O-N 3.13Å
133V58.8Low50.8Low136 Ų13680.8 Ų80.882%0.82442%0.418SS*.PPolyproline II helixtrans-59.7120.5175.2-177.40000108.9K114K114-V133 PolarHBondContact NZ-O 3.14Å
134M57.7Low50.9Low77 Ų7781.9 Ų81.938%0.37942%0.417SS..PPolyproline II helixtrans-85.7123179.9-64.6-65.6-82.300109.9A132 D138 P140A132-M134 PolarHBondContact O-N 3.27Å; A132-M134 VanDerWaalsContact O-N 3.13Å; M134-D138 WeakPolarHBondContact CA-OD2 3.25Å; M134-D138 HydrophobicContact CB-CB 4.34Å; M134-D138 HydrophobicContact CE-CB 3.48Å; M134-D138 VanDerWaalsContact CE-CB 3.48Å; M134-D138 HydrophobicContact SD-CB 3.91Å; M134-P140 HydrophobicContact CE-CB 4.26Å; M134-P140 HydrophobicContact CE-CG 4.44Å
135G61.4Low50.6Low39 Ų3983.5 Ų83.540%0.40243%0.427SS..PPolyproline II helixtrans-77168.6169.100000112.1M137 D138G135-M137 PolarHBondContact O-N 3.4Å; G135-M137 VanDerWaalsContact O-N 3.11Å; G135-D138 PolarHBondContact N-OD2 3.46Å; G135-D138 WeakPolarHBondContact O-CB 3.46Å; G135-D138 PolarHBondContact O-N 3.01Å; G135-D138 VanDerWaalsContact O-N 3.09Å
136K58.3Low50.2Low221 Ų22187 Ų8796%0.96144%0.443SS*.THydrogen-bonded Turntrans-64-15.8-179.1-67.6-175.9179.2-179.20114.8
137M58.6Low49.2Very low116 Ų11692.4 Ų92.457%0.57148%0.477SS*.THydrogen-bonded Turntrans-102.7-5.6179.9-64.8179.3-65.300112P122 G135P122-M137 WeakPolarHBondContact O-CE 3.35Å; G135-M137 PolarHBondContact O-N 3.4Å; G135-M137 VanDerWaalsContact O-N 3.11Å
138D59.2Low48.6Very low29 Ų2996.6 Ų96.616%0.15551%0.51CS..  trans-82.8126.6-176.4-53.77.6000109K114 H126 M134 G135K114-D138 WeakPolarHBondContact CE-OD2 3.43Å; K114-D138 IonicContact NZ-OD2 3.08Å; K114-D138 PolarHBondContact NZ-OD2 2.98Å; H126-D138 HydrophobicContact CB-CB 4.45Å; H126-D138 IonicContact CD2-OD1 3.97Å; H126-D138 PolarHBondContact CD2-OD1 3.43Å; H126-D138 VanDerWaalsContact CD2-OD1 3.31Å; H126-D138 IonicContact CD2-OD2 2.74Å; H126-D138 IonicContact NE2-OD1 3.72Å; H126-D138 PolarHBondContact NE2-OD1 3.32Å; M134-D138 WeakPolarHBondContact CA-OD2 3.25Å; M134-D138 HydrophobicContact CB-CB 4.34Å; M134-D138 HydrophobicContact CE-CB 3.48Å; M134-D138 VanDerWaalsContact CE-CB 3.48Å; M134-D138 HydrophobicContact SD-CB 3.91Å; G135-D138 PolarHBondContact N-OD2 3.46Å; G135-D138 WeakPolarHBondContact O-CB 3.46Å; G135-D138 PolarHBondContact O-N 3.01Å; G135-D138 VanDerWaalsContact O-N 3.09Å
139I60.8Low48.7Very low49 Ų4998.6 Ų98.625%0.25152%0.523SS..  trans-118.8123.3175.4-52.9173.4000107.1Q125 H126 K144Q125-I139 HydrophobicContact CG-CD1 4.2Å; H126-I139 CarbonylContact C-O 3.51Å; H126-I139 PolarHBondContact N-O 2.89Å; I139-K144 HydrophobicContact CG2-CD 3.66Å; I139-K144 HydrophobicContact CG2-CG 4.13Å
140P58.5Low48.4Very low34 Ų3499.3 Ų99.322%0.22152%0.524CS..  trans-71.2141.9174.629.5-32.1000110.6M134 E142 E143M134-P140 HydrophobicContact CE-CB 4.26Å; M134-P140 HydrophobicContact CE-CG 4.44Å; P140-E142 VanDerWaalsContact C-N 3.28Å; P140-E142 PolarHBondContact O-N 3.33Å; P140-E143 HydrophobicContact CG-CB 4.27Å; P140-E143 HydrophobicContact CG-CG 3.85Å; P140-E143 PolarHBondContact O-N 3.31Å
141Q53Low48.1Very low26 Ų2699.2 Ų99.212%0.12153%0.526CS..G310 helixtrans-62.1-34.4-176.3-170.3174.7-17.800113.1S47 H126 R127 E143 K144S47-Q141 VanDerWaalsContact C-NE2 3.32Å; S47-Q141 WeakPolarHBondContact O-CG 3.44Å; S47-Q141 PolarHBondContact O-NE2 2.94Å; H126-Q141 PolarHBondContact O-N 3.13Å; R127-Q141 HydrophobicContact CB-CB 4.22Å; R127-Q141 HydrophobicContact CG-CB 4.11Å; R127-Q141 VanDerWaalsContact CG-OE1 3.23Å; Q141-E143 PolarHBondContact O-N 3.32Å; Q141-K144 PolarHBondContact O-N 3.39Å
142E50.8Low47.6Very low143 Ų14393.5 Ų93.567%0.66850%0.499SS*.G310 helixtrans-62.7-24.8-177.7-65.1163.7-164.800113.8P140 K144P140-E142 VanDerWaalsContact C-N 3.28Å; P140-E142 PolarHBondContact O-N 3.33Å; E142-K144 VanDerWaalsContact C-N 3.32Å; E142-K144 PolarHBondContact O-N 3.05Å
143E45Very low46.7Very low154 Ų15499.3 Ų99.372%0.7253%0.526SS*.G310 helixtrans-83.5-3.6-177.8-73.3-177.7171.700113.7P140 Q141P140-E143 HydrophobicContact CG-CB 4.27Å; P140-E143 HydrophobicContact CG-CG 3.85Å; P140-E143 PolarHBondContact O-N 3.31Å; Q141-E143 PolarHBondContact O-N 3.32Å
144K47.1Very low45.5Very low68 Ų6896.7 Ų96.730%0.29651%0.51SS..  trans-12539.3-166.9-81.5-170.9153.4-147.20115.6E49 I139 Q141 E142E49-K144 HydrophobicContact CB-CB 4.26Å; E49-K144 HydrophobicContact CB-CD 4.44Å; E49-K144 VanDerWaalsContact OE2-CD 3.25Å; E49-K144 WeakPolarHBondContact OE2-CD 3.22Å; E49-K144 WeakPolarHBondContact OE2-CE 3.24Å; E49-K144 IonicContact OE2-NZ 3.69Å; E49-K144 PolarHBondContact OE2-NZ 3.28Å; I139-K144 HydrophobicContact CG2-CD 3.66Å; I139-K144 HydrophobicContact CG2-CG 4.13Å; Q141-K144 PolarHBondContact O-N 3.39Å; E142-K144 VanDerWaalsContact C-N 3.32Å; E142-K144 PolarHBondContact O-N 3.05Å
145V37.6Very low44.5Very low41 Ų4198.2 Ų98.225%0.24853%0.526CS..  trans-87.7113.7170.3-163.20000108.9S47S47-V145 WeakPolarHBondContact OG-CG2 3.34Å
146H37.8Very low43.6Very low137 Ų13797 Ų9763%0.63451%0.511SS*.  trans147.2115.1143.2-82.667.5000112.5
147T32Very low42.8Very low124 Ų12488.6 Ų88.676%0.76148%0.479SS*.  trans-166.5139.8135.617.40000111.4
148S29.6Very low42.1Very low112 Ų11284.4 Ų84.478%0.78346%0.457SS*.  trans-67137.7-179.6-47.20000112.6
149P37.3Very low41.3Very low73 Ų7384.3 Ų84.347%0.47446%0.457SS..  trans-79.2149.2-172.728.4-32.9000114.2K73K73-P149 HydrophobicContact CB-CB 4.22Å; K73-P149 HydrophobicContact CD-CB 3.98Å; K73-P149 HydrophobicContact CD-CG 4.22Å; K73-P149 HydrophobicContact CG-CB 3.91Å
150K30.2Very low40.3Very low159 Ų15982.2 Ų82.269%0.69145%0.446SS*.  trans-108127.8168.4-80.7-177.3177.4178.50109.8K73K73-K150 WeakPolarHBondContact CB-O 3.12Å
151I35.8Very low39.3Very low128 Ų12882.2 Ų82.266%0.65645%0.453SS*.  trans-69.4135175-61167.2000109.3K73K73-I151 HydrophobicContact CD-CG1 3.81Å
152T36.6Very low38.4Very low65 Ų6581.6 Ų81.640%0.39945%0.45SS..  trans-125.4130.6171.752.10000110.3K73 T154K73-T152 PolarHBondContact O-OG1 2.84Å; K73-T152 VanDerWaalsContact O-OG1 3.1Å; T152-T154 VanDerWaalsContact C-N 3.33Å
153N35.1Very low37.5Very low154 Ų15480.9 Ų80.982%0.82445%0.447SS*.  trans-9115.9-177.6-78.8-7.1000113.5
154T34Very low37Very low81 Ų8181 Ų8150%0.49745%0.452SS..SBendtrans-93123.9-174.645.30000111.1T152 S156T152-T154 VanDerWaalsContact C-N 3.33Å; T154-S156 PolarHBondContact O-N 3.25Å; T154-S156 PolarHBondContact O-OG 3.08Å
155P36.7Very low36.1Very low109 Ų10983.8 Ų83.871%0.70848%0.475SS*.  trans-58.9118.1176.424.9-31.9000108
156S42.5Very low35.7Very low14 Ų1486.5 Ų86.510%0.09850%0.495CS..  trans-117.5141-176.4-66.30000111.3T75 T154 Y158 Q172T75-S156 WeakPolarHBondContact CB-OG 3.42Å; T75-S156 WeakPolarHBondContact CG2-OG 3.06Å; T75-S156 PolarHBondContact OG1-OG 2.77Å; T154-S156 PolarHBondContact O-N 3.25Å; T154-S156 PolarHBondContact O-OG 3.08Å; S156-Y158 PolarHBondContact O-N 3.2Å; S156-Q172 PolarHBondContact O-N 3.34Å
157P40.6Very low35.7Very low44 Ų4484.7 Ų84.729%0.28650%0.496SS..EExtended strand (participates in β ladder)trans-68.5123.9-174.828.7-36.7000110.4Q77 C169Q77-P157 HydrophobicContact CG-CB 4.3Å; Q77-P157 HydrophobicContact CG-CG 3.65Å; Q77-P157 WeakPolarHBondContact CG-O 3.14Å; Q77-P157 VanDerWaalsContact NE2-CG 3.28Å; P157-C169 HydrophobicContact CB-CB 4.43Å; P157-C169 WeakPolarHBondContact CB-SG 3.37Å
158Y44.5Very low36.2Very low28 Ų2880.3 Ų80.311%0.1147%0.47CS..EExtended strand (participates in β ladder)trans-97.5129.1163.3-92-95.7000108.5R78 S156 E170 Q172 Y212R78-Y158 PolarHBondContact NH1-OH 2.97Å; S156-Y158 PolarHBondContact O-N 3.2Å; Y158-E170 PolarHBondContact N-O 3.12Å; Y158-E170 PolarHBondContact O-N 3.22Å; Y158-E170 VanDerWaalsContact O-N 3.1Å; Y158-Q172 HydrophobicContact CD2-CB 3.87Å; Y158-Q172 HydrophobicContact CD2-CG 3.99Å; Y158-Q172 HydrophobicContact CE2-CB 3.98Å; Y158-Q172 HydrophobicContact CE2-CG 3.63Å; Y158-Y212 WeakPolarHBondContact CE1-OH 3.44Å
159L41.8Very low37.1Very low27 Ų2778.6 Ų78.614%0.14146%0.457CS..EExtended strand (participates in β ladder)trans-93.7107.8178.2-69.3-178.6000109.3Q77 P167Q77-L159 HydrophobicContact CB-CD1 4.48Å; L159-P167 HydrophobicContact CD2-CB 3.28Å; L159-P167 HydrophobicContact CD2-CG 4.31Å; L159-P167 HydrophobicContact CG-CB 4.48Å
160T39.8Very low38.1Very low6 Ų676.1 Ų76.14%0.03744%0.439CS..EExtended strand (participates in β ladder)trans-101109.5172.5440000107.9S168 E170 Y175 I204 T310T160-S168 PolarHBondContact O-OG 3.48Å; T160-S168 VanDerWaalsContact O-OG 3.09Å; T160-E170 PolarHBondContact OG1-OE2 2.83Å; T160-Y175 HydrophobicContact CG2-CE2 4.11Å; T160-I204 VanDerWaalsContact CB-CD1 3.47Å; T160-I204 HydrophobicContact CG2-CD1 3.34Å; T160-T310 WeakPolarHBondContact O-CG2 3.32Å
161G37.1Very low39.8Very low34 Ų3472.5 Ų72.535%0.35143%0.431SS..  trans138169.714700000122.9
162P35.3Very low41.4Very low12 Ų1269.5 Ų69.58%0.07841%0.414CS..  trans-91.2-7-171.333.2-33.2000116.9R89 W203R89-P162 VanDerWaalsContact CZ-O 3.22Å; R89-P162 PolarHBondContact NE-O 3.41Å; R89-P162 PolarHBondContact NH2-O 3.21Å; P162-W203 HydrophobicContact CB-CZ3 4.23Å; P162-W203 HydrophobicContact CG-CE3 4.22Å; P162-W203 HydrophobicContact CG-CZ3 3.99Å
163H31.5Very low43.3Very low128 Ų12870.2 Ų70.259%0.59343%0.426SS*.  trans-93.6136.4-167.1-73.1-72.3000114.7T165H163-T165 VanDerWaalsContact C-N 3.33Å; H163-T165 PolarHBondContact O-N 3.06Å
164L34.1Very low45.6Very low157 Ų15764.5 Ų64.582%0.82240%0.404SS*.THydrogen-bonded Turntrans-71.7-2.8-167.5-94.7124.6000116.7
165T27.5Very low47.9Very low127 Ų12760.9 Ų60.978%0.77938%0.381SS*.THydrogen-bonded Turntrans-119.5-14.3-162.749.90000116.2H163H163-T165 VanDerWaalsContact C-N 3.33Å; H163-T165 PolarHBondContact O-N 3.06Å
166S30Very low50.2Low97 Ų9756.6 Ų56.668%0.67835%0.352SS*.  trans-170.4128.9165.3-770000110.2S168S166-S168 PolarHBondContact O-N 3.36Å; S166-S168 VanDerWaalsContact O-N 3.16Å
167P38.1Very low52.4Low100 Ų10061.1 Ų61.165%0.64938%0.375SS*.  trans-63.5114169.119.3-24.9000110.2L159 C169L159-P167 HydrophobicContact CD2-CB 3.28Å; L159-P167 HydrophobicContact CD2-CG 4.31Å; L159-P167 HydrophobicContact CG-CB 4.48Å; P167-C169 PolarHBondContact O-N 3.27Å; P167-C169 VanDerWaalsContact O-N 3.17Å
168S42.3Very low54.8Low31 Ų3163.3 Ų63.322%0.21738%0.378CS..EExtended strand (participates in β ladder)trans-67.1110.8160.740.50000107.7T160 S166T160-S168 PolarHBondContact O-OG 3.48Å; T160-S168 VanDerWaalsContact O-OG 3.09Å; S166-S168 PolarHBondContact O-N 3.36Å; S166-S168 VanDerWaalsContact O-N 3.16Å
169C49.2Very low57.1Low76 Ų7662 Ų6251%0.51437%0.373SS..EExtended strand (participates in β ladder)trans-95106.6179.7163.30000108.6P157 P167P157-C169 HydrophobicContact CB-CB 4.43Å; P157-C169 WeakPolarHBondContact CB-SG 3.37Å; P167-C169 PolarHBondContact O-N 3.27Å; P167-C169 VanDerWaalsContact O-N 3.17Å
170E56.4Low59.6Low21 Ų2161.8 Ų61.810%0.09837%0.374CS..EExtended strand (participates in β ladder)trans-91.2140.1173.2-70-179.7128.500110.3Y158 T160 Y175 G313 R314Y158-E170 PolarHBondContact N-O 3.12Å; Y158-E170 PolarHBondContact O-N 3.22Å; Y158-E170 VanDerWaalsContact O-N 3.1Å; T160-E170 PolarHBondContact OG1-OE2 2.83Å; E170-Y175 WeakPolarHBondContact OE2-CD2 3.33Å; E170-Y175 WeakPolarHBondContact OE2-CE2 3.4Å; E170-G313 WeakPolarHBondContact OE1-CA 3.18Å; E170-R314 IonicContact OE1-NH1 3.6Å; E170-R314 PolarHBondContact OE1-NH1 3.44Å
171T66.1Low62.2Low83 Ų8364.9 Ų64.951%0.50939%0.389SS..EExtended strand (participates in β ladder)trans-72.5131.6172.558.40000109.3A173 G174 Y175T171-A173 VanDerWaalsContact C-N 3.3Å; T171-A173 PolarHBondContact O-N 3.24Å; T171-A173 VanDerWaalsContact O-N 3.13Å; T171-G174 PolarHBondContact O-N 3.16Å; T171-G174 VanDerWaalsContact O-N 3.14Å; T171-Y175 PolarHBondContact O-N 3.42Å
172Q70.7Confident65.1Low66 Ų6663.8 Ų63.831%0.30838%0.376SS..Hα-helixtrans-46-46.3-177.4-174.4175.91.800114.6S156 Y158 L176S156-Q172 PolarHBondContact O-N 3.34Å; Y158-Q172 HydrophobicContact CD2-CB 3.87Å; Y158-Q172 HydrophobicContact CD2-CG 3.99Å; Y158-Q172 HydrophobicContact CE2-CB 3.98Å; Y158-Q172 HydrophobicContact CE2-CG 3.63Å; Q172-L176 HydrophobicContact CG-CD1 4.01Å; Q172-L176 WeakPolarHBondContact O-CB 3.28Å; Q172-L176 VanDerWaalsContact O-CG 3.23Å; Q172-L176 WeakPolarHBondContact O-CG 3.21Å; Q172-L176 PolarHBondContact O-N 3.09Å; Q172-L176 VanDerWaalsContact O-N 3.14Å
173A76.8Confident68Low79 Ų7963.2 Ų63.265%0.65337%0.372SS*.Hα-helixtrans-68.2-45.8-177.600000112.8T171 L177T171-A173 VanDerWaalsContact C-N 3.3Å; T171-A173 PolarHBondContact O-N 3.24Å; T171-A173 VanDerWaalsContact O-N 3.13Å; A173-L177 VanDerWaalsContact O-CB 3.26Å; A173-L177 WeakPolarHBondContact O-CB 3.3Å; A173-L177 PolarHBondContact O-N 2.91Å
174G82.8Confident71Confident35 Ų3561.8 Ų61.836%0.36137%0.366SS..Hα-helixtrans-65.6-40.6-179.700000112.5T171 Y178T171-G174 PolarHBondContact O-N 3.16Å; T171-G174 VanDerWaalsContact O-N 3.14Å; G174-Y178 VanDerWaalsContact O-CB 3.3Å; G174-Y178 WeakPolarHBondContact O-CB 3.43Å; G174-Y178 PolarHBondContact O-N 2.93Å; G174-Y178 VanDerWaalsContact O-N 3.12Å
175Y83Confident73.9Confident4 Ų458.5 Ų58.52%0.01635%0.348CS..Hα-helixtrans-61.7-55.5176.1176.5-110.8000111.5T160 E170 T171 L177 Y178 T179 I204 S208 Y212 G313T160-Y175 HydrophobicContact CG2-CE2 4.11Å; E170-Y175 WeakPolarHBondContact OE2-CD2 3.33Å; E170-Y175 WeakPolarHBondContact OE2-CE2 3.4Å; T171-Y175 PolarHBondContact O-N 3.42Å; Y175-L177 PolarHBondContact O-N 3.4Å; Y175-Y178 PolarHBondContact O-N 3.45Å; Y175-T179 HydrophobicContact CD2-CG2 3.99Å; Y175-T179 HydrophobicContact CE1-CG2 4.37Å; Y175-T179 HydrophobicContact CE2-CG2 3.67Å; Y175-T179 HydrophobicContact CG-CG2 4.48Å; Y175-T179 WeakPolarHBondContact O-CG2 3.48Å; Y175-T179 PolarHBondContact O-N 2.68Å; Y175-T179 PolarHBondContact O-OG1 2.94Å; Y175-T179 VanDerWaalsContact O-OG1 3.12Å; Y175-I204 HydrophobicContact CE2-CD1 4.38Å; Y175-S208 PolarHBondContact OH-N 3.38Å; Y175-S208 PolarHBondContact OH-OG 2.93Å; Y175-S208 VanDerWaalsContact OH-OG 3.11Å; Y175-Y212 AromaticContact CE1-CD2 3.4Å; Y175-Y212 HydrophobicContact CE1-CD2 3.4Å; Y175-Y212 VanDerWaalsContact CE1-CD2 3.4Å; Y175-Y212 AromaticContact CE1-CE2 3.83Å; Y175-Y212 HydrophobicContact CE1-CE2 3.83Å; Y175-Y212 AromaticContact CE1-CG 3.89Å; Y175-Y212 HydrophobicContact CE1-CG 3.89Å; Y175-Y212 AromaticContact CZ-CD2 3.95Å; Y175-G313 WeakPolarHBondContact CE2-O 3.38Å
176L85.1Confident77.2Confident20 Ų2053.3 Ų53.311%0.10532%0.316CS..Hα-helixtrans-59.7-44.2-178.6-68.8175.6000112.6Q172 Y178 T179 S180 Y212Q172-L176 HydrophobicContact CG-CD1 4.01Å; Q172-L176 WeakPolarHBondContact O-CB 3.28Å; Q172-L176 VanDerWaalsContact O-CG 3.23Å; Q172-L176 WeakPolarHBondContact O-CG 3.21Å; Q172-L176 PolarHBondContact O-N 3.09Å; Q172-L176 VanDerWaalsContact O-N 3.14Å; L176-Y178 VanDerWaalsContact C-N 3.33Å; L176-Y178 PolarHBondContact O-N 2.9Å; L176-T179 PolarHBondContact O-OG1 2.89Å; L176-T179 VanDerWaalsContact O-OG1 3.08Å; L176-S180 WeakPolarHBondContact O-CB 3.49Å; L176-S180 PolarHBondContact O-N 3.4Å; L176-Y212 HydrophobicContact CD2-CD1 3.39Å; L176-Y212 HydrophobicContact CD2-CE1 4.1Å; L176-Y212 HydrophobicContact CD2-CG 3.88Å
177L88.2Confident80.3Confident109 Ų10948.7 Ų48.757%0.57128%0.284SS*.Hα-helixtrans-58.9-47.1178.1177.162.3000110.9A173 Y175 S180 I181A173-L177 VanDerWaalsContact O-CB 3.26Å; A173-L177 WeakPolarHBondContact O-CB 3.3Å; A173-L177 PolarHBondContact O-N 2.91Å; Y175-L177 PolarHBondContact O-N 3.4Å; L177-S180 PolarHBondContact O-N 3.38Å; L177-I181 HydrophobicContact CD1-CD1 3.74Å; L177-I181 HydrophobicContact CD1-CG1 4.26Å; L177-I181 HydrophobicContact CG-CD1 3.85Å; L177-I181 WeakPolarHBondContact O-CB 3.4Å; L177-I181 VanDerWaalsContact O-CG1 3.26Å; L177-I181 WeakPolarHBondContact O-CG1 3.17Å; L177-I181 PolarHBondContact O-N 3.48Å
178Y90.4Very high83Confident90 Ų9047.4 Ų47.435%0.35327%0.272SS..Hα-helixtrans-74-40.7-174.6-155.8133.3000111.3G174 Y175 L176 S180 I181 T182 R314G174-Y178 VanDerWaalsContact O-CB 3.3Å; G174-Y178 WeakPolarHBondContact O-CB 3.43Å; G174-Y178 PolarHBondContact O-N 2.93Å; G174-Y178 VanDerWaalsContact O-N 3.12Å; Y175-Y178 PolarHBondContact O-N 3.45Å; L176-Y178 VanDerWaalsContact C-N 3.33Å; L176-Y178 PolarHBondContact O-N 2.9Å; Y178-S180 VanDerWaalsContact C-N 3.3Å; Y178-S180 PolarHBondContact O-N 2.93Å; Y178-I181 PolarHBondContact O-N 3.06Å; Y178-T182 HydrophobicContact CD2-CG2 3.52Å; Y178-T182 HydrophobicContact CE2-CG2 3.39Å; Y178-T182 PolarHBondContact O-N 3.07Å; Y178-T182 PolarHBondContact O-OG1 3.44Å; Y178-R314 HydrophobicContact CD1-CG 4.42Å; Y178-R314 HydrophobicContact CD2-CB 3.96Å; Y178-R314 HydrophobicContact CD2-CG 3.27Å; Y178-R314 VanDerWaalsContact CE1-NH2 3.29Å; Y178-R314 HydrophobicContact CE2-CB 4.39Å; Y178-R314 HydrophobicContact CE2-CG 3.47Å; Y178-R314 VanDerWaalsContact CE2-CG 3.47Å; Y178-R314 HydrophobicContact CG-CG 3.8Å
179T92.9Very high85.6Confident0 Ų046.4 Ų46.40%026%0.263CS..Hα-helixtrans-61.7-39.7174.155.20000111.6Y175 L176 T182 H183 R314Y175-T179 HydrophobicContact CD2-CG2 3.99Å; Y175-T179 HydrophobicContact CE1-CG2 4.37Å; Y175-T179 HydrophobicContact CE2-CG2 3.67Å; Y175-T179 HydrophobicContact CG-CG2 4.48Å; Y175-T179 WeakPolarHBondContact O-CG2 3.48Å; Y175-T179 PolarHBondContact O-N 2.68Å; Y175-T179 PolarHBondContact O-OG1 2.94Å; Y175-T179 VanDerWaalsContact O-OG1 3.12Å; L176-T179 PolarHBondContact O-OG1 2.89Å; L176-T179 VanDerWaalsContact O-OG1 3.08Å; T179-T182 PolarHBondContact O-OG1 2.81Å; T179-H183 WeakPolarHBondContact O-CB 3.25Å; T179-H183 PolarHBondContact O-N 3.34Å; T179-R314 HydrophobicContact CG2-CB 4.26Å
180S94.4Very high87.7Confident23 Ų2347.4 Ų47.416%0.16126%0.26CS..Hα-helixtrans-61.7-50174.1163.30000112.2L176 L177 Y178 H183 Q184 N217L176-S180 WeakPolarHBondContact O-CB 3.49Å; L176-S180 PolarHBondContact O-N 3.4Å; L177-S180 PolarHBondContact O-N 3.38Å; Y178-S180 VanDerWaalsContact C-N 3.3Å; Y178-S180 PolarHBondContact O-N 2.93Å; S180-H183 PolarHBondContact O-N 3.12Å; S180-Q184 WeakPolarHBondContact O-CB 2.93Å; S180-Q184 PolarHBondContact O-N 2.74Å; S180-N217 WeakPolarHBondContact CB-OD1 2.85Å; S180-N217 PolarHBondContact O-ND2 3.17Å; S180-N217 PolarHBondContact OG-OD1 3.03Å
181I95.1Very high89.5Confident71 Ų7153 Ų5336%0.36429%0.291SS..Hα-helixtrans-62.3-47.7179.6-71.9170.1000111.2L177 Y178 Q184 L185L177-I181 HydrophobicContact CD1-CD1 3.74Å; L177-I181 HydrophobicContact CD1-CG1 4.26Å; L177-I181 HydrophobicContact CG-CD1 3.85Å; L177-I181 WeakPolarHBondContact O-CB 3.4Å; L177-I181 VanDerWaalsContact O-CG1 3.26Å; L177-I181 WeakPolarHBondContact O-CG1 3.17Å; L177-I181 PolarHBondContact O-N 3.48Å; Y178-I181 PolarHBondContact O-N 3.06Å; I181-Q184 PolarHBondContact O-N 3.38Å; I181-L185 HydrophobicContact CG2-CD1 3.62Å; I181-L185 HydrophobicContact CG2-CG 4.23Å; I181-L185 WeakPolarHBondContact O-CB 3.49Å; I181-L185 WeakPolarHBondContact O-CG 3.44Å; I181-L185 PolarHBondContact O-N 3.2Å
182T96.1Very high90.7Very high10 Ų1051.5 Ų51.56%0.06129%0.292CS..Hα-helixtrans-67.8-38.4-179.747.90000111.8Y178 T179 Q184 V186 Y209 V315Y178-T182 HydrophobicContact CD2-CG2 3.52Å; Y178-T182 HydrophobicContact CE2-CG2 3.39Å; Y178-T182 PolarHBondContact O-N 3.07Å; Y178-T182 PolarHBondContact O-OG1 3.44Å; T179-T182 PolarHBondContact O-OG1 2.81Å; T182-Q184 VanDerWaalsContact C-N 3.31Å; T182-Q184 PolarHBondContact O-N 3.01Å; T182-V186 WeakPolarHBondContact O-CB 3.23Å; T182-V186 WeakPolarHBondContact O-CG2 3.23Å; T182-V186 PolarHBondContact O-N 3Å; T182-Y209 WeakPolarHBondContact CB-OH 3.39Å; T182-Y209 PolarHBondContact OG1-OH 3.19Å; T182-V315 HydrophobicContact CG2-CB 4.22Å
183H96.6Very high91.9Very high0 Ų049 Ų490%028%0.28CS..Hα-helixtrans-56.3-49.6172.4174.8-109.4000110.7T179 S180 F187 Y189 F195 Y209 N217T179-H183 WeakPolarHBondContact O-CB 3.25Å; T179-H183 PolarHBondContact O-N 3.34Å; S180-H183 PolarHBondContact O-N 3.12Å; H183-F187 WeakPolarHBondContact O-CB 3.47Å; H183-F187 PolarHBondContact O-N 3.37Å; H183-Y189 AromaticContact CE1-CD2 3.67Å; H183-Y189 AromaticContact CE1-CG 3.51Å; H183-F195 AromaticContact CD2-CD2 3.98Å; H183-F195 AromaticContact CD2-CE2 3.99Å; H183-F195 AromaticContact NE2-CD1 3.96Å; H183-F195 AromaticContact NE2-CD2 3.46Å; H183-F195 WeakPolarHBondContact NE2-CD2 3.26Å; H183-F195 AromaticContact NE2-CE2 3.94Å; H183-F195 AromaticContact NE2-CG 3.49Å; H183-F195 WeakPolarHBondContact NE2-CG 3.34Å; H183-Y209 HydrophobicContact CB-CD1 4.38Å; H183-Y209 HydrophobicContact CB-CE1 4.29Å; H183-N217 PolarHBondContact ND1-ND2 2.92Å
184Q95.4Very high93Very high99 Ų9946 Ų4646%0.46325%0.254SS..Hα-helixtrans-63.9-50.4180-167177.630.400113.1S180 I181 T182 D188 Y189 N217S180-Q184 WeakPolarHBondContact O-CB 2.93Å; S180-Q184 PolarHBondContact O-N 2.74Å; I181-Q184 PolarHBondContact O-N 3.38Å; T182-Q184 VanDerWaalsContact C-N 3.31Å; T182-Q184 PolarHBondContact O-N 3.01Å; Q184-D188 CarbonylContact O-C 3.17Å; Q184-D188 WeakPolarHBondContact O-CA 3.4Å; Q184-D188 PolarHBondContact O-N 3.19Å; Q184-Y189 PolarHBondContact O-N 2.92Å; Q184-Y189 VanDerWaalsContact O-N 3.17Å; Q184-N217 PolarHBondContact N-ND2 3.31Å
185L94.9Very high93.7Very high87 Ų8744.3 Ų44.346%0.45524%0.237SC..Hα-helixtrans-84.2-36.8-168.8-64.5-178.8000113.7I181I181-L185 HydrophobicContact CG2-CD1 3.62Å; I181-L185 HydrophobicContact CG2-CG 4.23Å; I181-L185 WeakPolarHBondContact O-CB 3.49Å; I181-L185 WeakPolarHBondContact O-CG 3.44Å; I181-L185 PolarHBondContact O-N 3.2Å
186V95.8Very high94.4Very high18 Ų1844.1 Ų44.111%0.10924%0.236CC..Hα-helixtrans-79.3-41.9-179.1179.30000109.8T182 D188 M276 V304 T306 V315 A318T182-V186 WeakPolarHBondContact O-CB 3.23Å; T182-V186 WeakPolarHBondContact O-CG2 3.23Å; T182-V186 PolarHBondContact O-N 3Å; V186-D188 VanDerWaalsContact C-N 3.33Å; V186-M276 WeakPolarHBondContact O-CE 3.48Å; V186-M276 VanDerWaalsContact O-SD 3.36Å; V186-V304 HydrophobicContact CG1-CB 4.44Å; V186-V304 HydrophobicContact CG1-CG2 4.21Å; V186-T306 HydrophobicContact CG1-CG2 3.82Å; V186-V315 HydrophobicContact CG2-CB 4.49Å; V186-V315 HydrophobicContact CG2-CG1 4.04Å; V186-A318 HydrophobicContact CG1-CB 3.63Å; V186-A318 HydrophobicContact CG2-CB 4.15Å
187F96.1Very high95Very high0 Ų043.2 Ų43.20%023%0.231CC..SBendtrans-92.44.5-179.3-55.6-80.5000114.5H183 Y189 F195 Y209 Q247 Y249 M276 V304 T306H183-F187 WeakPolarHBondContact O-CB 3.47Å; H183-F187 PolarHBondContact O-N 3.37Å; F187-Y189 PolarHBondContact O-N 3.35Å; F187-F195 HydrophobicContact CB-CD2 4.38Å; F187-F195 HydrophobicContact CB-CE2 3.65Å; F187-F195 HydrophobicContact CB-CZ 4.47Å; F187-F195 AromaticContact CD1-CE2 3.65Å; F187-F195 HydrophobicContact CD1-CE2 3.65Å; F187-F195 AromaticContact CD1-CZ 3.92Å; F187-F195 HydrophobicContact CD1-CZ 3.92Å; F187-F195 AromaticContact CD2-CE2 3.94Å; F187-F195 HydrophobicContact CD2-CE2 3.94Å; F187-F195 AromaticContact CD2-CZ 3.92Å; F187-F195 HydrophobicContact CD2-CZ 3.92Å; F187-F195 HydrophobicContact CE1-CE2 4.26Å; F187-F195 HydrophobicContact CE1-CZ 4.07Å; F187-F195 HydrophobicContact CE2-CZ 4.07Å; F187-F195 AromaticContact CG-CE2 3.46Å; F187-F195 HydrophobicContact CG-CE2 3.46Å; F187-F195 VanDerWaalsContact CG-CE2 3.46Å; F187-F195 AromaticContact CG-CZ 3.83Å; F187-F195 HydrophobicContact CG-CZ 3.83Å; F187-F195 HydrophobicContact CZ-CZ 4.14Å; F187-Y209 AromaticContact CE2-CD1 3.82Å; F187-Y209 HydrophobicContact CE2-CD1 3.82Å; F187-Y209 AromaticContact CE2-CE1 3.9Å; F187-Y209 HydrophobicContact CE2-CE1 3.9Å; F187-Y209 HydrophobicContact CE2-CG 4.42Å; F187-Q247 HydrophobicContact CB-CG 4.42Å; F187-Y249 HydrophobicContact CE1-CD1 4.24Å; F187-Y249 AromaticContact CE1-CD2 3.71Å; F187-Y249 HydrophobicContact CE1-CD2 3.71Å; F187-Y249 AromaticContact CE1-CE2 3.99Å; F187-Y249 HydrophobicContact CE1-CE2 3.99Å; F187-Y249 AromaticContact CE1-CG 3.84Å; F187-Y249 HydrophobicContact CE1-CG 3.84Å; F187-Y249 AromaticContact CZ-CD1 3.87Å; F187-Y249 HydrophobicContact CZ-CD1 3.87Å; F187-Y249 AromaticContact CZ-CD2 3.86Å; F187-Y249 HydrophobicContact CZ-CD2 3.86Å; F187-Y249 AromaticContact CZ-CE1 3.76Å; F187-Y249 HydrophobicContact CZ-CE1 3.76Å; F187-Y249 AromaticContact CZ-CE2 3.73Å; F187-Y249 HydrophobicContact CZ-CE2 3.73Å; F187-Y249 AromaticContact CZ-CG 3.92Å; F187-Y249 HydrophobicContact CZ-CG 3.92Å; F187-Y249 AromaticContact CZ-CZ 3.68Å; F187-M276 WeakPolarHBondContact CA-SD 3.16Å; F187-M276 HydrophobicContact CB-SD 4.12Å; F187-M276 HydrophobicContact CD1-SD 3.97Å; F187-M276 HydrophobicContact CG-SD 4.46Å; F187-M276 WeakPolarHBondContact O-CE 3.16Å; F187-V304 HydrophobicContact CD1-CG2 4.29Å; F187-V304 HydrophobicContact CE1-CG2 4.12Å; F187-T306 HydrophobicContact CZ-CG2 4.28Å
188D95.3Very high95.3Very high73 Ų7338.9 Ų38.939%0.3921%0.208SC..  trans49.730.5-179.8-172.846.7000112.9Q184 V186 Q190 R275 M276 P321Q184-D188 CarbonylContact O-C 3.17Å; Q184-D188 WeakPolarHBondContact O-CA 3.4Å; Q184-D188 PolarHBondContact O-N 3.19Å; V186-D188 VanDerWaalsContact C-N 3.33Å; D188-Q190 PolarHBondContact O-N 2.98Å; D188-Q190 PolarHBondContact O-NE2 3.22Å; D188-Q190 PolarHBondContact OD1-NE2 3.04Å; D188-R275 PolarHBondContact O-NH2 3.42Å; D188-M276 HydrophobicContact CB-CE 3.5Å; D188-M276 VanDerWaalsContact CB-CE 3.5Å; D188-P321 HydrophobicContact CB-CG 4.47Å
189Y95.4Very high95.3Very high10 Ų1035.7 Ų35.74%0.03920%0.201CC..  trans-52134.3-171167.6-95.6000112.1H183 Q184 F187 D193 N217 G218 A219H183-Y189 AromaticContact CE1-CD2 3.67Å; H183-Y189 AromaticContact CE1-CG 3.51Å; Q184-Y189 PolarHBondContact O-N 2.92Å; Q184-Y189 VanDerWaalsContact O-N 3.17Å; F187-Y189 PolarHBondContact O-N 3.35Å; Y189-D193 HydrophobicContact CD2-CB 3.83Å; Y189-D193 HydrophobicContact CE2-CB 3.71Å; Y189-N217 HydrophobicContact CD1-CB 4.05Å; Y189-N217 HydrophobicContact CE1-CB 4.01Å; Y189-G218 PolarHBondContact OH-O 2.75Å; Y189-A219 HydrophobicContact CD2-CB 3.8Å; Y189-A219 HydrophobicContact CE1-CB 4.26Å; Y189-A219 HydrophobicContact CE2-CB 3.14Å; Y189-A219 VanDerWaalsContact CZ-CB 3.44Å; Y189-A219 WeakPolarHBondContact OH-CA 3.44Å
190Q95Very high94.8Very high97 Ų9737.4 Ų37.445%0.45321%0.21SC..  trans-118.5149.6175.5-56.5-59.6-45.200109.4D188 G192 D193 R275D188-Q190 PolarHBondContact O-N 2.98Å; D188-Q190 PolarHBondContact O-NE2 3.22Å; D188-Q190 PolarHBondContact OD1-NE2 3.04Å; Q190-G192 PolarHBondContact O-N 2.85Å; Q190-D193 WeakPolarHBondContact CA-OD2 3.48Å; Q190-D193 PolarHBondContact N-OD2 3.32Å; Q190-D193 WeakPolarHBondContact O-CB 3.47Å; Q190-D193 PolarHBondContact O-N 3.11Å; Q190-R275 VanDerWaalsContact CG-NH1 3.32Å
191D93.1Very high93.9Very high140 Ų14036.7 Ų36.775%0.74920%0.204SC*.THydrogen-bonded Turntrans-57.3128.7-179.9-68.3-10.5000111.3
192G92.1Very high92.8Very high50 Ų5033.6 Ų33.652%0.51519%0.19SC..THydrogen-bonded Turntrans92.1-4.3-17800000114.8Q190Q190-G192 PolarHBondContact O-N 2.85Å
193D96.4Very high91.9Very high13 Ų1338.4 Ų38.47%0.0721%0.207CC..  trans-66.7151.7174.9-67.6-30.8000112.9Y189 Q190 T220 N246 Q247 R275Y189-D193 HydrophobicContact CD2-CB 3.83Å; Y189-D193 HydrophobicContact CE2-CB 3.71Å; Q190-D193 WeakPolarHBondContact CA-OD2 3.48Å; Q190-D193 PolarHBondContact N-OD2 3.32Å; Q190-D193 WeakPolarHBondContact O-CB 3.47Å; Q190-D193 PolarHBondContact O-N 3.11Å; D193-T220 PolarHBondContact O-N 2.85Å; D193-N246 VanDerWaalsContact CA-OD1 3.32Å; D193-N246 WeakPolarHBondContact CA-OD1 3.22Å; D193-N246 HydrophobicContact CB-CB 4.09Å; D193-Q247 PolarHBondContact OD2-NE2 2.74Å; D193-R275 IonicContact OD1-CZ 3.23Å; D193-R275 IonicContact OD1-NH1 3.72Å; D193-R275 PolarHBondContact OD1-NH1 2.73Å; D193-R275 IonicContact OD2-CZ 2.86Å; D193-R275 IonicContact OD2-NH1 3.01Å; D193-R275 PolarHBondContact OD2-NH1 3.35Å; D193-R275 IonicContact OD2-NH2 3.07Å; D193-R275 PolarHBondContact OD2-NH2 2.71Å
194V98.1Very high91.4Very high17 Ų1738.8 Ų38.810%0.10321%0.209CC..EExtended strand (participates in β ladder)trans-100.3110.3167.2-176.20000109.6I18 T220 V222 I245 N246 Q247I18-V194 HydrophobicContact CD1-CG1 4.22Å; V194-T220 CarbonylContact C-O 3.57Å; V194-T220 WeakPolarHBondContact CA-O 3.39Å; V194-T220 HydrophobicContact CG1-CG2 4.34Å; V194-T220 HydrophobicContact CG2-CG2 4.14Å; V194-V222 HydrophobicContact CG1-CG2 3.66Å; V194-I245 HydrophobicContact CG1-CG1 4.07Å; V194-N246 PolarHBondContact N-OD1 3.33Å; V194-N246 PolarHBondContact O-N 3.23Å; V194-Q247 PolarHBondContact O-N 2.93Å
195F98.3Very high91.1Very high0 Ų035 Ų350%019%0.193CC..EExtended strand (participates in β ladder)trans-90113.5178.8-169.7-100.5000111.2H183 F187 C197 Y209 P214 T220 V222 Q247 Y249H183-F195 AromaticContact CD2-CD2 3.98Å; H183-F195 AromaticContact CD2-CE2 3.99Å; H183-F195 AromaticContact NE2-CD1 3.96Å; H183-F195 AromaticContact NE2-CD2 3.46Å; H183-F195 WeakPolarHBondContact NE2-CD2 3.26Å; H183-F195 AromaticContact NE2-CE2 3.94Å; H183-F195 AromaticContact NE2-CG 3.49Å; H183-F195 WeakPolarHBondContact NE2-CG 3.34Å; F187-F195 HydrophobicContact CB-CD2 4.38Å; F187-F195 HydrophobicContact CB-CE2 3.65Å; F187-F195 HydrophobicContact CB-CZ 4.47Å; F187-F195 AromaticContact CD1-CE2 3.65Å; F187-F195 HydrophobicContact CD1-CE2 3.65Å; F187-F195 AromaticContact CD1-CZ 3.92Å; F187-F195 HydrophobicContact CD1-CZ 3.92Å; F187-F195 AromaticContact CD2-CE2 3.94Å; F187-F195 HydrophobicContact CD2-CE2 3.94Å; F187-F195 AromaticContact CD2-CZ 3.92Å; F187-F195 HydrophobicContact CD2-CZ 3.92Å; F187-F195 HydrophobicContact CE1-CE2 4.26Å; F187-F195 HydrophobicContact CE1-CZ 4.07Å; F187-F195 HydrophobicContact CE2-CZ 4.07Å; F187-F195 AromaticContact CG-CE2 3.46Å; F187-F195 HydrophobicContact CG-CE2 3.46Å; F187-F195 VanDerWaalsContact CG-CE2 3.46Å; F187-F195 AromaticContact CG-CZ 3.83Å; F187-F195 HydrophobicContact CG-CZ 3.83Å; F187-F195 HydrophobicContact CZ-CZ 4.14Å; F195-C197 HydrophobicContact CD1-CB 4.29Å; F195-C197 HydrophobicContact CE1-CB 3.79Å; F195-Y209 WeakPolarHBondContact CD1-O 3.23Å; F195-Y209 WeakPolarHBondContact CE1-O 3.5Å; F195-P214 HydrophobicContact CD1-CB 4.5Å; F195-P214 HydrophobicContact CD1-CG 3.63Å; F195-P214 HydrophobicContact CE1-CG 4.2Å; F195-P214 HydrophobicContact CG-CG 4.28Å; F195-T220 PolarHBondContact N-O 3.1Å; F195-V222 PolarHBondContact O-N 2.92Å; F195-Q247 HydrophobicContact CD2-CB 3.59Å; F195-Q247 HydrophobicContact CD2-CG 4.13Å; F195-Q247 HydrophobicContact CE2-CB 3.69Å; F195-Q247 HydrophobicContact CE2-CG 4.37Å; F195-Y249 HydrophobicContact CE1-CD1 4.45Å; F195-Y249 HydrophobicContact CZ-CD1 4.17Å; F195-Y249 HydrophobicContact CZ-CG 4.43Å
196G97.8Very high90.8Very high0 Ų030.9 Ų30.90%017%0.171CC..EExtended strand (participates in β ladder)trans-103.487.2-176.700000113.1Q247 Y249G196-Q247 WeakPolarHBondContact CA-O 3.44Å; G196-Q247 PolarHBondContact N-O 3.18Å; G196-Y249 PolarHBondContact O-N 2.76Å
197C96.9Very high90.2Very high0 Ų030.4 Ų30.40%017%0.168CC..EExtended strand (participates in β ladder)trans-92.5114.3169.5-176.30000111.2F195 A199 Y209 V210 Y249F195-C197 HydrophobicContact CD1-CB 4.29Å; F195-C197 HydrophobicContact CE1-CB 3.79Å; C197-A199 PolarHBondContact O-N 3.32Å; C197-A199 VanDerWaalsContact O-N 3.16Å; C197-A199 VanDerWaalsContact SG-CB 3.57Å; C197-Y209 WeakPolarHBondContact CB-O 3.47Å; C197-V210 HydrophobicContact CB-CG2 3.65Å; C197-V210 WeakPolarHBondContact O-CG2 3.47Å; C197-Y249 WeakPolarHBondContact CA-O 2.91Å; C197-Y249 HydrophobicContact CB-CD1 4.1Å; C197-Y249 WeakPolarHBondContact SG-CD1 3.46Å
198M95.6Very high89.9Confident18 Ų1830.4 Ų30.49%0.08917%0.168CC..  trans-83.715.8-177.1-54.3-56.8155.900113.2F224 Y236 I245 F248 Y249M198-F224 HydrophobicContact SD-CB 3.98Å; M198-F224 HydrophobicContact SD-CD1 4.38Å; M198-F224 HydrophobicContact SD-CD2 4.34Å; M198-F224 HydrophobicContact SD-CG 3.99Å; M198-Y236 HydrophobicContact CB-CE1 3.86Å; M198-Y236 HydrophobicContact CB-CE2 4.46Å; M198-Y236 HydrophobicContact CG-CD1 4.13Å; M198-Y236 HydrophobicContact CG-CE1 3.78Å; M198-Y236 HydrophobicContact CG-CE2 4.41Å; M198-Y236 HydrophobicContact SD-CD1 4.11Å; M198-Y236 HydrophobicContact SD-CE1 4.01Å; M198-I245 HydrophobicContact CE-CD1 3.63Å; M198-F248 HydrophobicContact CE-CD2 3.8Å; M198-F248 HydrophobicContact CE-CE2 3.76Å; M198-F248 HydrophobicContact CG-CD2 4.19Å; M198-F248 HydrophobicContact CG-CE1 4.49Å; M198-F248 HydrophobicContact CG-CE2 3.44Å; M198-F248 VanDerWaalsContact CG-CE2 3.44Å; M198-F248 HydrophobicContact CG-CZ 3.63Å; M198-F248 HydrophobicContact SD-CE2 4.26Å; M198-Y249 PolarHBondContact N-O 3.16Å
199A90Very high89.9Confident24 Ų2426.9 Ų26.920%0.19815%0.149CC..  trans-87147.9-179.500000111.5C197 T205C197-A199 PolarHBondContact O-N 3.32Å; C197-A199 VanDerWaalsContact O-N 3.16Å; C197-A199 VanDerWaalsContact SG-CB 3.57Å; A199-T205 HydrophobicContact CB-CG2 3.54Å
200D82Confident89.7Confident36 Ų3626.5 Ų26.519%0.19315%0.148CC..  trans-77.2138.6170.9179.3-76.2000110.2G202 W203D200-G202 PolarHBondContact O-N 3.4Å; D200-G202 VanDerWaalsContact OD1-CA 3.29Å; D200-G202 WeakPolarHBondContact OD1-CA 3.32Å; D200-G202 PolarHBondContact OD1-N 2.82Å; D200-W203 PolarHBondContact O-N 2.89Å
201I76.2Confident89.2Confident7 Ų722.2 Ų22.24%0.03613%0.128CC..THydrogen-bonded Turntrans-66.7-14.6-179.870.2-149.1000114.7C61 V64 W203 Q207 V210 V211 L223C61-I201 HydrophobicContact CB-CD1 4.12Å; V64-I201 HydrophobicContact CB-CD1 3.55Å; V64-I201 HydrophobicContact CB-CG1 4.36Å; V64-I201 HydrophobicContact CG1-CB 4.45Å; V64-I201 HydrophobicContact CG1-CD1 4.13Å; V64-I201 HydrophobicContact CG1-CG2 4.4Å; V64-I201 HydrophobicContact CG2-CB 4.34Å; V64-I201 HydrophobicContact CG2-CD1 3.19Å; V64-I201 HydrophobicContact CG2-CG1 3.68Å; I201-W203 PolarHBondContact O-N 3.06Å; I201-Q207 WeakPolarHBondContact O-CG 3.28Å; I201-Q207 PolarHBondContact O-NE2 2.76Å; I201-V210 HydrophobicContact CG2-CB 4.29Å; I201-V210 HydrophobicContact CG2-CG1 4.17Å; I201-V211 HydrophobicContact CG2-CG2 4.32Å; I201-L223 HydrophobicContact CG2-CD1 4.02Å
202G71.7Confident89Confident7 Ų716.6 Ų16.67%0.07210%0.097CC..THydrogen-bonded Turntrans-67.9-10.9169.800000112.8D200D200-G202 PolarHBondContact O-N 3.4Å; D200-G202 VanDerWaalsContact OD1-CA 3.29Å; D200-G202 WeakPolarHBondContact OD1-CA 3.32Å; D200-G202 PolarHBondContact OD1-N 2.82Å
203W78Confident89Confident110 Ų11014.2 Ų14.242%0.4177%0.072SC..SBendtrans-103.7157.6169.4-58.6102000111.3P162 D200 I201 T205 G206 Q207P162-W203 HydrophobicContact CB-CZ3 4.23Å; P162-W203 HydrophobicContact CG-CE3 4.22Å; P162-W203 HydrophobicContact CG-CZ3 3.99Å; D200-W203 PolarHBondContact O-N 2.89Å; I201-W203 PolarHBondContact O-N 3.06Å; W203-T205 PolarHBondContact O-N 2.91Å; W203-G206 PolarHBondContact O-N 2.87Å; W203-G206 VanDerWaalsContact O-N 3.12Å; W203-Q207 PolarHBondContact O-N 3.02Å
204I84.4Confident88.9Confident9 Ų913.6 Ų13.65%0.0467%0.069CC..Hα-helixtrans-57.9-33.8176-167.757.4000112.1T160 Y175 G206 Q207 S208 W308 T310T160-I204 VanDerWaalsContact CB-CD1 3.47Å; T160-I204 HydrophobicContact CG2-CD1 3.34Å; Y175-I204 HydrophobicContact CE2-CD1 4.38Å; I204-G206 VanDerWaalsContact C-N 3.35Å; I204-G206 PolarHBondContact O-N 3.33Å; I204-Q207 HydrophobicContact CD1-CB 4.31Å; I204-Q207 PolarHBondContact O-N 2.99Å; I204-S208 WeakPolarHBondContact O-CB 3.29Å; I204-S208 PolarHBondContact O-N 3.46Å; I204-S208 PolarHBondContact O-OG 3.3Å; I204-W308 HydrophobicContact CB-CH2 4.42Å; I204-W308 HydrophobicContact CB-CZ3 4.2Å; I204-W308 HydrophobicContact CG1-CH2 4.13Å; I204-W308 HydrophobicContact CG1-CZ3 3.61Å; I204-W308 HydrophobicContact CG2-CE3 4.35Å; I204-W308 HydrophobicContact CG2-CH2 3.84Å; I204-W308 HydrophobicContact CG2-CZ3 3.65Å; I204-T310 HydrophobicContact CB-CG2 3.85Å; I204-T310 HydrophobicContact CD1-CG2 4.44Å; I204-T310 HydrophobicContact CG1-CG2 4.15Å; I204-T310 HydrophobicContact CG2-CG2 4.3Å
205T90.7Very high88.5Confident19 Ų1912.8 Ų12.812%0.1176%0.064CC..Hα-helixtrans-55.6-46.7175.1-49.20000112.4A199 W203 Y209 Y249 V280 W308A199-T205 HydrophobicContact CB-CG2 3.54Å; W203-T205 PolarHBondContact O-N 2.91Å; T205-Y209 WeakPolarHBondContact O-CA 3.35Å; T205-Y209 WeakPolarHBondContact O-CB 3.3Å; T205-Y209 PolarHBondContact O-N 3.38Å; T205-Y249 HydrophobicContact CG2-CD1 4.27Å; T205-Y249 HydrophobicContact CG2-CE1 3.62Å; T205-V280 HydrophobicContact CG2-CG1 3.89Å; T205-W308 HydrophobicContact CG2-CZ2 4.16Å
206G87.4Confident88.2Confident0 Ų013.7 Ų13.70%07%0.07CC..Hα-helixtrans-71.3-35.8178.600000112.1W203 I204 V210 V211W203-G206 PolarHBondContact O-N 2.87Å; W203-G206 VanDerWaalsContact O-N 3.12Å; I204-G206 VanDerWaalsContact C-N 3.35Å; I204-G206 PolarHBondContact O-N 3.33Å; G206-V210 WeakPolarHBondContact O-CA 3.46Å; G206-V210 WeakPolarHBondContact O-CB 3.26Å; G206-V210 PolarHBondContact O-N 2.8Å; G206-V211 PolarHBondContact O-N 3.41Å
207Q83.8Confident88Confident8 Ų814.9 Ų14.94%0.0378%0.077CC..Iπ-helixtrans-61.4-51.7173.6-64.217337.700111.1F80 I201 W203 I204 V211 Y212F80-Q207 VanDerWaalsContact CD2-CD 3.46Å; F80-Q207 HydrophobicContact CD2-CG 3.97Å; F80-Q207 HydrophobicContact CE2-CG 4.21Å; I201-Q207 WeakPolarHBondContact O-CG 3.28Å; I201-Q207 PolarHBondContact O-NE2 2.76Å; W203-Q207 PolarHBondContact O-N 3.02Å; I204-Q207 HydrophobicContact CD1-CB 4.31Å; I204-Q207 PolarHBondContact O-N 2.99Å; Q207-V211 WeakPolarHBondContact O-CB 3.27Å; Q207-Y212 HydrophobicContact CB-CD2 4.43Å; Q207-Y212 HydrophobicContact CB-CE2 4.5Å; Q207-Y212 WeakPolarHBondContact O-CD2 3.07Å; Q207-Y212 PolarHBondContact O-N 2.93Å
208S90.1Very high87.7Confident0 Ų015.1 Ų15.10%08%0.079CC..Iπ-helixtrans-74.5-37.1-174.5-50.70000113Y175 I204 G213 G313Y175-S208 PolarHBondContact OH-N 3.38Å; Y175-S208 PolarHBondContact OH-OG 2.93Å; Y175-S208 VanDerWaalsContact OH-OG 3.11Å; I204-S208 WeakPolarHBondContact O-CB 3.29Å; I204-S208 PolarHBondContact O-N 3.46Å; I204-S208 PolarHBondContact O-OG 3.3Å; S208-G213 WeakPolarHBondContact O-CA 3.25Å; S208-G213 PolarHBondContact O-N 3.36Å; S208-G313 WeakPolarHBondContact CB-O 3.3Å; S208-G313 PolarHBondContact OG-O 2.73Å
209Y95.1Very high87.6Confident0 Ų014.3 Ų14.30%08%0.075CC..Iπ-helixtrans-126-5.4-167.1-59.1-67.8000115.4T182 H183 F187 F195 C197 T205 P214 Y249 W308 V315T182-Y209 WeakPolarHBondContact CB-OH 3.39Å; T182-Y209 PolarHBondContact OG1-OH 3.19Å; H183-Y209 HydrophobicContact CB-CD1 4.38Å; H183-Y209 HydrophobicContact CB-CE1 4.29Å; F187-Y209 AromaticContact CE2-CD1 3.82Å; F187-Y209 HydrophobicContact CE2-CD1 3.82Å; F187-Y209 AromaticContact CE2-CE1 3.9Å; F187-Y209 HydrophobicContact CE2-CE1 3.9Å; F187-Y209 HydrophobicContact CE2-CG 4.42Å; F195-Y209 WeakPolarHBondContact CD1-O 3.23Å; F195-Y209 WeakPolarHBondContact CE1-O 3.5Å; C197-Y209 WeakPolarHBondContact CB-O 3.47Å; T205-Y209 WeakPolarHBondContact O-CA 3.35Å; T205-Y209 WeakPolarHBondContact O-CB 3.3Å; T205-Y209 PolarHBondContact O-N 3.38Å; Y209-P214 VanDerWaalsContact O-CG 3.28Å; Y209-P214 WeakPolarHBondContact O-CG 3.18Å; Y209-Y249 AromaticContact CD2-CE1 3.77Å; Y209-Y249 HydrophobicContact CD2-CE1 3.77Å; Y209-Y249 HydrophobicContact CG-CD1 4.46Å; Y209-Y249 AromaticContact CG-CE1 3.87Å; Y209-Y249 HydrophobicContact CG-CE1 3.87Å; Y209-W308 AromaticContact CD2-CH2 3.7Å; Y209-W308 HydrophobicContact CD2-CH2 3.7Å; Y209-W308 AromaticContact CD2-CZ2 3.51Å; Y209-W308 HydrophobicContact CD2-CZ2 3.51Å; Y209-W308 AromaticContact CE2-CE2 3.88Å; Y209-W308 AromaticContact CE2-CH2 3.48Å; Y209-W308 HydrophobicContact CE2-CH2 3.48Å; Y209-W308 VanDerWaalsContact CE2-CH2 3.48Å; Y209-W308 AromaticContact CE2-CZ2 3.33Å; Y209-W308 HydrophobicContact CE2-CZ2 3.33Å; Y209-W308 HydrophobicContact CE2-CZ3 4.2Å; Y209-V315 HydrophobicContact CE2-CG2 3.85Å; Y209-V315 WeakPolarHBondContact OH-CG2 2.89Å; Y209-V315 PolarHBondContact OH-N 2.78Å
210V90.8Very high87.9Confident2 Ų213.7 Ų13.71%0.0127%0.069CC..Iπ-helixtrans-91.6-35.3157.9174.60000109.6C197 I201 G206 T221 L223C197-V210 HydrophobicContact CB-CG2 3.65Å; C197-V210 WeakPolarHBondContact O-CG2 3.47Å; I201-V210 HydrophobicContact CG2-CB 4.29Å; I201-V210 HydrophobicContact CG2-CG1 4.17Å; G206-V210 WeakPolarHBondContact O-CA 3.46Å; G206-V210 WeakPolarHBondContact O-CB 3.26Å; G206-V210 PolarHBondContact O-N 2.8Å; V210-T221 WeakPolarHBondContact O-CB 2.96Å; V210-T221 WeakPolarHBondContact O-CG2 3.48Å; V210-T221 PolarHBondContact O-OG1 3.03Å; V210-L223 HydrophobicContact CG1-CB 4.35Å; V210-L223 HydrophobicContact CG1-CD1 4.17Å
211V85.5Confident88.5Confident6 Ų612 Ų124%0.0366%0.06CC..Iπ-helixtrans-108.3-77.1-170-179.10000112.9V64 I68 I201 G206 Q207 L215V64-V211 HydrophobicContact CG1-CG2 3.86Å; I68-V211 HydrophobicContact CD1-CB 4.03Å; I68-V211 HydrophobicContact CD1-CG1 3.4Å; I68-V211 VanDerWaalsContact CD1-CG1 3.4Å; I68-V211 HydrophobicContact CD1-CG2 3.63Å; I68-V211 HydrophobicContact CG1-CB 4.45Å; I68-V211 HydrophobicContact CG1-CG1 3.35Å; I68-V211 HydrophobicContact CG1-CG2 4.38Å; I201-V211 HydrophobicContact CG2-CG2 4.32Å; G206-V211 PolarHBondContact O-N 3.41Å; Q207-V211 WeakPolarHBondContact O-CB 3.27Å; V211-L215 HydrophobicContact CG1-CD1 4.16Å; V211-L215 VanDerWaalsContact O-CB 3.25Å; V211-L215 WeakPolarHBondContact O-CB 3.36Å; V211-L215 WeakPolarHBondContact O-CD1 3.31Å; V211-L215 WeakPolarHBondContact O-CG 3.48Å; V211-L215 PolarHBondContact O-N 3.19Å
212Y87.8Confident89.3Confident22 Ų2211.7 Ų11.79%0.0866%0.058CC..Iπ-helixtrans-73.1-47.5-159.4-70.7-66.7000113.8Y158 Y175 L176 Q207 C216Y158-Y212 WeakPolarHBondContact CE1-OH 3.44Å; Y175-Y212 AromaticContact CE1-CD2 3.4Å; Y175-Y212 HydrophobicContact CE1-CD2 3.4Å; Y175-Y212 VanDerWaalsContact CE1-CD2 3.4Å; Y175-Y212 AromaticContact CE1-CE2 3.83Å; Y175-Y212 HydrophobicContact CE1-CE2 3.83Å; Y175-Y212 AromaticContact CE1-CG 3.89Å; Y175-Y212 HydrophobicContact CE1-CG 3.89Å; Y175-Y212 AromaticContact CZ-CD2 3.95Å; L176-Y212 HydrophobicContact CD2-CD1 3.39Å; L176-Y212 HydrophobicContact CD2-CE1 4.1Å; L176-Y212 HydrophobicContact CD2-CG 3.88Å; Q207-Y212 HydrophobicContact CB-CD2 4.43Å; Q207-Y212 HydrophobicContact CB-CE2 4.5Å; Q207-Y212 WeakPolarHBondContact O-CD2 3.07Å; Q207-Y212 PolarHBondContact O-N 2.93Å; Y212-C216 WeakPolarHBondContact O-CB 2.89Å; Y212-C216 PolarHBondContact O-N 3.17Å; Y212-C216 PolarHBondContact O-SG 2.93Å
213G93Very high90.1Very high0 Ų011.6 Ų11.60%06%0.056CC..Hα-helixtrans-59.5-57.4-179.300000112.9S208 C216 N217S208-G213 WeakPolarHBondContact O-CA 3.25Å; S208-G213 PolarHBondContact O-N 3.36Å; G213-C216 PolarHBondContact O-N 3.13Å; G213-N217 PolarHBondContact O-N 2.96Å
214P94.3Very high90.8Very high0 Ų07.2 Ų7.20%04%0.04CC..Hα-helixtrans-57.6-51.3178.1-26.635.1000113.1F195 Y209 C216 N217 G218 A219F195-P214 HydrophobicContact CD1-CB 4.5Å; F195-P214 HydrophobicContact CD1-CG 3.63Å; F195-P214 HydrophobicContact CE1-CG 4.2Å; F195-P214 HydrophobicContact CG-CG 4.28Å; Y209-P214 VanDerWaalsContact O-CG 3.28Å; Y209-P214 WeakPolarHBondContact O-CG 3.18Å; P214-C216 PolarHBondContact O-N 2.99Å; P214-N217 CarbonylContact O-C 3.55Å; P214-N217 WeakPolarHBondContact O-CA 3.32Å; P214-N217 PolarHBondContact O-N 3.2Å; P214-G218 PolarHBondContact O-N 3.49Å; P214-A219 HydrophobicContact CB-CB 3.91Å; P214-A219 VanDerWaalsContact O-CB 3.29Å; P214-A219 WeakPolarHBondContact O-CB 3.49Å; P214-A219 PolarHBondContact O-N 3.43Å
215L90.1Very high90.8Very high0 Ų08 Ų80%04%0.044CC..Hα-helixtrans-69.3-31.9-176.1-63174.9000112.8C3 H7 A16 I68 V211 N217 G218 T221C3-L215 CarbonylContact C-O 3.54Å; C3-L215 WeakPolarHBondContact CA-O 3.43Å; C3-L215 HydrophobicContact CB-CB 3.73Å; C3-L215 VanDerWaalsContact O-O 3.12Å; H7-L215 PolarHBondContact CD2-O 2.99Å; H7-L215 PolarHBondContact NE2-O 3.48Å; A16-L215 HydrophobicContact CB-CD2 4.02Å; A16-L215 WeakPolarHBondContact O-CD2 3.33Å; I68-L215 HydrophobicContact CB-CD1 4.48Å; I68-L215 HydrophobicContact CD1-CD1 4.03Å; I68-L215 HydrophobicContact CG1-CD1 4.26Å; I68-L215 HydrophobicContact CG2-CD1 3.38Å; V211-L215 HydrophobicContact CG1-CD1 4.16Å; V211-L215 VanDerWaalsContact O-CB 3.25Å; V211-L215 WeakPolarHBondContact O-CB 3.36Å; V211-L215 WeakPolarHBondContact O-CD1 3.31Å; V211-L215 WeakPolarHBondContact O-CG 3.48Å; V211-L215 PolarHBondContact O-N 3.19Å; L215-N217 PolarHBondContact O-N 2.74Å; L215-G218 PolarHBondContact O-N 2.8Å; L215-G218 VanDerWaalsContact O-N 3.14Å; L215-T221 HydrophobicContact CD2-CG2 4.03Å; L215-T221 HydrophobicContact CG-CG2 4.23Å
216C90.6Very high90.8Very high20 Ų207 Ų714%0.1354%0.038CC..Hα-helixtrans-60.8-33.1171.3-76.10000112H7 Y212 G213 P214 G218H7-C216 PolarHBondContact NE2-O 3.12Å; Y212-C216 WeakPolarHBondContact O-CB 2.89Å; Y212-C216 PolarHBondContact O-N 3.17Å; Y212-C216 PolarHBondContact O-SG 2.93Å; G213-C216 PolarHBondContact O-N 3.13Å; P214-C216 PolarHBondContact O-N 2.99Å; C216-G218 VanDerWaalsContact C-N 3.32Å
217N94Very high91.1Very high25 Ų258.3 Ų8.313%0.1345%0.046CC..THydrogen-bonded Turntrans-89.85.1178.5-65-5.6000113.1S180 H183 Q184 Y189 G213 P214 L215 A219S180-N217 WeakPolarHBondContact CB-OD1 2.85Å; S180-N217 PolarHBondContact O-ND2 3.17Å; S180-N217 PolarHBondContact OG-OD1 3.03Å; H183-N217 PolarHBondContact ND1-ND2 2.92Å; Q184-N217 PolarHBondContact N-ND2 3.31Å; Y189-N217 HydrophobicContact CD1-CB 4.05Å; Y189-N217 HydrophobicContact CE1-CB 4.01Å; G213-N217 PolarHBondContact O-N 2.96Å; P214-N217 CarbonylContact O-C 3.55Å; P214-N217 WeakPolarHBondContact O-CA 3.32Å; P214-N217 PolarHBondContact O-N 3.2Å; L215-N217 PolarHBondContact O-N 2.74Å; N217-A219 PolarHBondContact O-N 2.81Å
218G91.2Very high91.7Very high5 Ų58.8 Ų8.85%0.0525%0.05CC..THydrogen-bonded Turntrans66.228.6-177.700000112.8H7 Q14 Y189 P214 L215 C216H7-G218 PolarHBondContact CE1-N 2.83Å; H7-G218 PolarHBondContact NE2-N 2.93Å; Q14-G218 PolarHBondContact NE2-O 3.09Å; Y189-G218 PolarHBondContact OH-O 2.75Å; P214-G218 PolarHBondContact O-N 3.49Å; L215-G218 PolarHBondContact O-N 2.8Å; L215-G218 VanDerWaalsContact O-N 3.14Å; C216-G218 VanDerWaalsContact C-N 3.32Å
219A93.4Very high92Very high0 Ų011.1 Ų11.10%06%0.064CC..  trans-80.9152.6177.800000112.1Y189 P214 N217 T221Y189-A219 HydrophobicContact CD2-CB 3.8Å; Y189-A219 HydrophobicContact CE1-CB 4.26Å; Y189-A219 HydrophobicContact CE2-CB 3.14Å; Y189-A219 VanDerWaalsContact CZ-CB 3.44Å; Y189-A219 WeakPolarHBondContact OH-CA 3.44Å; P214-A219 HydrophobicContact CB-CB 3.91Å; P214-A219 VanDerWaalsContact O-CB 3.29Å; P214-A219 WeakPolarHBondContact O-CB 3.49Å; P214-A219 PolarHBondContact O-N 3.43Å; N217-A219 PolarHBondContact O-N 2.81Å; A219-T221 PolarHBondContact O-N 2.94Å
220T95.2Very high92Very high12 Ų1213.8 Ų13.87%0.0748%0.075CC..EExtended strand (participates in β ladder)trans-76.8116.4163.9-50.50000108.1V15 I18 D193 V194 F195V15-T220 HydrophobicContact CB-CG2 4.01Å; V15-T220 HydrophobicContact CG1-CG2 3.9Å; V15-T220 WeakPolarHBondContact O-CA 3.05Å; V15-T220 WeakPolarHBondContact O-CB 3.45Å; V15-T220 PolarHBondContact O-OG1 2.92Å; I18-T220 HydrophobicContact CD1-CG2 3.61Å; I18-T220 HydrophobicContact CG1-CG2 3.77Å; D193-T220 PolarHBondContact O-N 2.85Å; V194-T220 CarbonylContact C-O 3.57Å; V194-T220 WeakPolarHBondContact CA-O 3.39Å; V194-T220 HydrophobicContact CG1-CG2 4.34Å; V194-T220 HydrophobicContact CG2-CG2 4.14Å; F195-T220 PolarHBondContact N-O 3.1Å
221T94.9Very high92.3Very high0 Ų017.2 Ų17.20%010%0.097CC..EExtended strand (participates in β ladder)trans-109.1147.6179.7-166.30000112.2A16 L17 I18 V210 L215 A219A16-T221 WeakPolarHBondContact O-CG2 3.22Å; A16-T221 PolarHBondContact O-N 3.23Å; L17-T221 WeakPolarHBondContact CA-O 3.42Å; L17-T221 HydrophobicContact CD1-CG2 3.53Å; I18-T221 PolarHBondContact N-O 3.17Å; V210-T221 WeakPolarHBondContact O-CB 2.96Å; V210-T221 WeakPolarHBondContact O-CG2 3.48Å; V210-T221 PolarHBondContact O-OG1 3.03Å; L215-T221 HydrophobicContact CD2-CG2 4.03Å; L215-T221 HydrophobicContact CG-CG2 4.23Å; A219-T221 PolarHBondContact O-N 2.94Å
222V94.2Very high92.8Very high0 Ų019.2 Ų19.20%011%0.107CC..EExtended strand (participates in β ladder)trans-103.7125.9178.9-176.10000110.8I18 E20 V194 F195 L243 I245I18-V222 HydrophobicContact CB-CG2 4.5Å; I18-V222 CarbonylContact O-C 3.58Å; I18-V222 WeakPolarHBondContact O-CA 3.4Å; E20-V222 HydrophobicContact CB-CG1 4.3Å; V194-V222 HydrophobicContact CG1-CG2 3.66Å; F195-V222 PolarHBondContact O-N 2.92Å; V222-L243 HydrophobicContact CG1-CD1 3.77Å; V222-L243 HydrophobicContact CG2-CD1 3.99Å; V222-I245 HydrophobicContact CG2-CD1 4.2Å; V222-I245 HydrophobicContact CG2-CG1 4.29Å
223L88.6Confident93.2Very high6 Ų618.8 Ų18.83%0.03111%0.107CC..EExtended strand (participates in β ladder)trans-100.6112.2165.9174.566.2000108.6L17 I18 W19 E20 C61 T65 I201 V210L17-L223 HydrophobicContact CD1-CB 3.92Å; I18-L223 PolarHBondContact O-N 3.12Å; W19-L223 CarbonylContact C-O 3.48Å; W19-L223 WeakPolarHBondContact CA-O 3.29Å; W19-L223 HydrophobicContact CB-CD2 4.44Å; W19-L223 HydrophobicContact CG-CD2 4.02Å; W19-L223 HydrophobicContact CG-CG 4.46Å; E20-L223 PolarHBondContact N-O 2.8Å; C61-L223 HydrophobicContact CB-CD1 4.13Å; C61-L223 HydrophobicContact CB-CD2 4Å; C61-L223 HydrophobicContact CB-CG 4.33Å; T65-L223 HydrophobicContact CG2-CD2 3.38Å; I201-L223 HydrophobicContact CG2-CD1 4.02Å; V210-L223 HydrophobicContact CG1-CB 4.35Å; V210-L223 HydrophobicContact CG1-CD1 4.17Å
224F91.3Very high93.4Very high18 Ų1818.8 Ų18.88%0.07911%0.107CC..EExtended strand (participates in β ladder)trans-105.8114.2-175.6178.7-97.2000111.6E20 M198 S226 R235 Y236 T239E20-F224 HydrophobicContact CB-CD2 4.25Å; E20-F224 HydrophobicContact CG-CD2 3.85Å; E20-F224 HydrophobicContact CG-CE2 4.28Å; M198-F224 HydrophobicContact SD-CB 3.98Å; M198-F224 HydrophobicContact SD-CD1 4.38Å; M198-F224 HydrophobicContact SD-CD2 4.34Å; M198-F224 HydrophobicContact SD-CG 3.99Å; F224-S226 WeakPolarHBondContact CE1-O 3.39Å; F224-S226 VanDerWaalsContact CZ-CB 3.49Å; F224-R235 HydrophobicContact CE2-CG 3.98Å; F224-R235 HydrophobicContact CZ-CG 3.76Å; F224-Y236 HydrophobicContact CD1-CE1 4.04Å; F224-Y236 HydrophobicContact CE1-CD1 4.12Å; F224-Y236 AromaticContact CE1-CE1 3.52Å; F224-Y236 HydrophobicContact CE1-CE1 3.52Å; F224-Y236 HydrophobicContact CE2-CD1 4.44Å; F224-Y236 AromaticContact CZ-CD1 3.92Å; F224-Y236 HydrophobicContact CZ-CD1 3.92Å; F224-Y236 AromaticContact CZ-CE1 3.8Å; F224-Y236 HydrophobicContact CZ-CE1 3.8Å; F224-T239 HydrophobicContact CD2-CG2 4.27Å
225D85.9Confident93.6Very high24 Ų2418.9 Ų18.913%0.12811%0.107CC..  trans-90.1-14.3-175.7-91.56.9000114.5W19 E20 C61 R106W19-D225 WeakPolarHBondContact CZ2-OD2 3.28Å; W19-D225 PolarHBondContact NE1-OD2 2.79Å; E20-D225 PolarHBondContact O-N 3.33Å; C61-D225 WeakPolarHBondContact CB-OD1 3.37Å; C61-D225 PolarHBondContact SG-OD1 3.24Å; R106-D225 WeakPolarHBondContact CD-O 3.43Å; R106-D225 VanDerWaalsContact CG-O 3.28Å; R106-D225 WeakPolarHBondContact CG-O 3.48Å
226S90.3Very high93.9Very high0 Ų019.5 Ų19.50%011%0.11CC..SBendtrans-85.1-159.5-174.2-156.30000113.7D22 R106 F224 Y230D22-S226 PolarHBondContact O-OG 3.39Å; D22-S226 VanDerWaalsContact OD1-CA 3.28Å; D22-S226 WeakPolarHBondContact OD1-CA 3.5Å; D22-S226 VanDerWaalsContact OD1-CB 3.23Å; D22-S226 WeakPolarHBondContact OD1-CB 3.26Å; D22-S226 PolarHBondContact OD1-OG 2.98Å; R106-S226 PolarHBondContact NE-O 2.94Å; F224-S226 WeakPolarHBondContact CE1-O 3.39Å; F224-S226 VanDerWaalsContact CZ-CB 3.49Å; S226-Y230 WeakPolarHBondContact OG-CD1 3.4Å
227T93.1Very high94.3Very high27 Ų2718.6 Ų18.617%0.16610%0.104CC..  trans-122.4156.4173.473.40000109.3R106 V229 Y230R106-T227 HydrophobicContact CG-CG2 3.96Å; T227-V229 PolarHBondContact O-N 3.49Å; T227-Y230 PolarHBondContact O-N 3.23Å; T227-Y230 WeakPolarHBondContact OG1-CB 3.25Å; T227-Y230 PolarHBondContact OG1-N 3.49Å
228P95.8Very high94.4Very high17 Ų1718.3 Ų18.311%0.1110%0.102CC..THydrogen-bonded Turntrans-57.7-14.8179.119.7-33.1000114.9Y236 A254 L257 L258P228-Y236 HydrophobicContact CB-CD1 4.47Å; P228-Y236 HydrophobicContact CB-CD2 4.01Å; P228-Y236 HydrophobicContact CB-CE1 4.11Å; P228-Y236 HydrophobicContact CB-CE2 3.6Å; P228-Y236 HydrophobicContact CB-CG 4.42Å; P228-Y236 HydrophobicContact CG-CE2 4.44Å; P228-A254 HydrophobicContact CG-CB 4.48Å; P228-L257 HydrophobicContact CG-CD2 4.14Å; P228-L258 HydrophobicContact CB-CD1 4.25Å; P228-L258 HydrophobicContact CB-CD2 4.1Å; P228-L258 HydrophobicContact CB-CG 4.29Å
229V96.7Very high94.7Very high50 Ų5018.1 Ų18.130%0.30310%0.099SC..THydrogen-bonded Turntrans-123.212-171.3-61.90000113.6T227 P231 D232 P233 L257 L258T227-V229 PolarHBondContact O-N 3.49Å; V229-P231 CarbonylContact O-C 3.59Å; V229-D232 VanDerWaalsContact C-C 3.49Å; V229-D232 CarbonylContact C-O 3.54Å; V229-D232 VanDerWaalsContact CA-O 3.27Å; V229-D232 WeakPolarHBondContact CA-O 3.31Å; V229-D232 CarbonylContact O-C 3.49Å; V229-D232 WeakPolarHBondContact O-CA 3.37Å; V229-D232 PolarHBondContact O-N 2.98Å; V229-P233 HydrophobicContact CG1-CB 4.42Å; V229-P233 HydrophobicContact CG1-CG 4.47Å; V229-L257 HydrophobicContact CG1-CD2 3.68Å; V229-L257 HydrophobicContact CG1-CG 4.02Å; V229-L258 HydrophobicContact CG1-CD2 4.31Å
230Y96Very high94.9Very high56 Ų5618.1 Ų18.122%0.2210%0.099CC..SBendtrans-115.4126.4176.6-178.7-95.9000111.4D22 E23 G107 S226 T227 D232 R235D22-Y230 WeakPolarHBondContact O-CD1 3.46Å; D22-Y230 WeakPolarHBondContact O-CE1 3.46Å; E23-Y230 PolarHBondContact OE1-OH 3.44Å; G107-Y230 VanDerWaalsContact C-CD2 3.47Å; S226-Y230 WeakPolarHBondContact OG-CD1 3.4Å; T227-Y230 PolarHBondContact O-N 3.23Å; T227-Y230 WeakPolarHBondContact OG1-CB 3.25Å; T227-Y230 PolarHBondContact OG1-N 3.49Å; Y230-D232 VanDerWaalsContact C-N 3.28Å; Y230-R235 VanDerWaalsContact O-CB 3.3Å; Y230-R235 WeakPolarHBondContact O-CB 3.28Å; Y230-R235 VanDerWaalsContact O-CD 3.31Å; Y230-R235 WeakPolarHBondContact O-CD 3.33Å; Y230-R235 WeakPolarHBondContact O-CG 3.33Å; Y230-R235 PolarHBondContact O-NH1 3.2Å
231P95.9Very high95.1Very high73 Ų7320.9 Ų20.947%0.47411%0.111SC..SBendcis-73.6-16.70.430.8-36.8000113.3P24 V229P24-P231 VanDerWaalsContact CG-CD 3.48Å; P24-P231 HydrophobicContact CG-CG 3.83Å; V229-P231 CarbonylContact O-C 3.59Å
232D96.7Very high95.2Very high48 Ų4826.5 Ų26.526%0.25713%0.132SC..SBendtrans-148.5172.218064.351.8000111.8V229 Y230 G234 R235 W265V229-D232 VanDerWaalsContact C-C 3.49Å; V229-D232 CarbonylContact C-O 3.54Å; V229-D232 VanDerWaalsContact CA-O 3.27Å; V229-D232 WeakPolarHBondContact CA-O 3.31Å; V229-D232 CarbonylContact O-C 3.49Å; V229-D232 WeakPolarHBondContact O-CA 3.37Å; V229-D232 PolarHBondContact O-N 2.98Å; Y230-D232 VanDerWaalsContact C-N 3.28Å; D232-G234 PolarHBondContact O-N 2.79Å; D232-G234 VanDerWaalsContact OD1-CA 3.28Å; D232-G234 WeakPolarHBondContact OD1-CA 3.28Å; D232-G234 PolarHBondContact OD1-N 3.31Å; D232-R235 PolarHBondContact O-N 3.14Å; D232-W265 HydrophobicContact CB-CE3 4.48Å; D232-W265 HydrophobicContact CB-CH2 3.71Å; D232-W265 HydrophobicContact CB-CZ3 3.65Å; D232-W265 VanDerWaalsContact OD1-CZ3 3.25Å; D232-W265 WeakPolarHBondContact OD1-CZ3 3.47Å
233P97.3Very high95.4Very high13 Ų1327.3 Ų27.38%0.08414%0.137CC..THydrogen-bonded Turntrans-64.9-1.3-180-21.334.1000115.7V229 R235 L258 H261 W265V229-P233 HydrophobicContact CG1-CB 4.42Å; V229-P233 HydrophobicContact CG1-CG 4.47Å; P233-R235 VanDerWaalsContact C-N 3.32Å; P233-L258 HydrophobicContact CB-CD2 4.17Å; P233-L258 VanDerWaalsContact O-CD2 3.27Å; P233-L258 WeakPolarHBondContact O-CD2 3.05Å; P233-H261 HydrophobicContact CB-CB 3.71Å; P233-H261 HydrophobicContact CG-CB 3.9Å; P233-H261 VanDerWaalsContact CG-CG 3.42Å; P233-H261 WeakPolarHBondContact CG-ND1 3.28Å; P233-W265 HydrophobicContact CB-CB 4.49Å; P233-W265 HydrophobicContact CB-CD2 4.03Å; P233-W265 HydrophobicContact CB-CG 3.93Å; P233-W265 HydrophobicContact CG-CD2 4.36Å; P233-W265 HydrophobicContact CG-CZ2 4.42Å
234G96.8Very high95.8Very high0 Ų031.4 Ų31.40%016%0.156CC..THydrogen-bonded Turntrans-80.6-9.5172.300000113.8D232 Y236 W237 E238D232-G234 PolarHBondContact O-N 2.79Å; D232-G234 VanDerWaalsContact OD1-CA 3.28Å; D232-G234 WeakPolarHBondContact OD1-CA 3.28Å; D232-G234 PolarHBondContact OD1-N 3.31Å; G234-Y236 PolarHBondContact O-N 3.3Å; G234-W237 PolarHBondContact O-N 3.39Å; G234-E238 PolarHBondContact O-N 3.25Å
235R97.3Very high96.1Very high2 Ų230.6 Ų30.61%0.00815%0.152CC..Hα-helixtrans-55.9-43.9-162.5-176.558.4-173.3-100.86.4115.1E20 R21 D22 E23 P24 F224 Y230 D232 P233 W237 E238 T239E20-R235 IonicContact OE1-CZ 3.76Å; E20-R235 IonicContact OE1-NE 3.53Å; E20-R235 IonicContact OE1-NH2 3.12Å; E20-R235 PolarHBondContact OE1-NH2 3.46Å; R21-R235 PolarHBondContact O-NH2 3.42Å; D22-R235 PolarHBondContact O-NH1 3.46Å; E23-R235 PolarHBondContact O-NH2 2.94Å; P24-R235 VanDerWaalsContact CA-NH2 3.32Å; F224-R235 HydrophobicContact CE2-CG 3.98Å; F224-R235 HydrophobicContact CZ-CG 3.76Å; Y230-R235 VanDerWaalsContact O-CB 3.3Å; Y230-R235 WeakPolarHBondContact O-CB 3.28Å; Y230-R235 VanDerWaalsContact O-CD 3.31Å; Y230-R235 WeakPolarHBondContact O-CD 3.33Å; Y230-R235 WeakPolarHBondContact O-CG 3.33Å; Y230-R235 PolarHBondContact O-NH1 3.2Å; D232-R235 PolarHBondContact O-N 3.14Å; P233-R235 VanDerWaalsContact C-N 3.32Å; R235-W237 VanDerWaalsContact C-N 3.29Å; R235-W237 PolarHBondContact O-N 3.22Å; R235-E238 VanDerWaalsContact CD-OE2 3.31Å; R235-E238 WeakPolarHBondContact CD-OE2 3.48Å; R235-E238 IonicContact NE-OE2 3.57Å; R235-E238 PolarHBondContact NE-OE2 3.27Å; R235-E238 VanDerWaalsContact NE-OE2 3.12Å; R235-E238 PolarHBondContact O-N 3.1Å; R235-T239 PolarHBondContact NE-OG1 2.64Å; R235-T239 WeakPolarHBondContact O-CB 3.23Å; R235-T239 PolarHBondContact O-N 3.3Å; R235-T239 PolarHBondContact O-OG1 3.13Å
236Y97.8Very high96.7Very high13 Ų1331 Ų315%0.05115%0.154CC..Hα-helixtrans-62.3-38.3178-78-15.8000112.9M198 F224 P228 G234 T239 V240 F248 A254 L258M198-Y236 HydrophobicContact CB-CE1 3.86Å; M198-Y236 HydrophobicContact CB-CE2 4.46Å; M198-Y236 HydrophobicContact CG-CD1 4.13Å; M198-Y236 HydrophobicContact CG-CE1 3.78Å; M198-Y236 HydrophobicContact CG-CE2 4.41Å; M198-Y236 HydrophobicContact SD-CD1 4.11Å; M198-Y236 HydrophobicContact SD-CE1 4.01Å; F224-Y236 HydrophobicContact CD1-CE1 4.04Å; F224-Y236 HydrophobicContact CE1-CD1 4.12Å; F224-Y236 AromaticContact CE1-CE1 3.52Å; F224-Y236 HydrophobicContact CE1-CE1 3.52Å; F224-Y236 HydrophobicContact CE2-CD1 4.44Å; F224-Y236 AromaticContact CZ-CD1 3.92Å; F224-Y236 HydrophobicContact CZ-CD1 3.92Å; F224-Y236 AromaticContact CZ-CE1 3.8Å; F224-Y236 HydrophobicContact CZ-CE1 3.8Å; P228-Y236 HydrophobicContact CB-CD1 4.47Å; P228-Y236 HydrophobicContact CB-CD2 4.01Å; P228-Y236 HydrophobicContact CB-CE1 4.11Å; P228-Y236 HydrophobicContact CB-CE2 3.6Å; P228-Y236 HydrophobicContact CB-CG 4.42Å; P228-Y236 HydrophobicContact CG-CE2 4.44Å; G234-Y236 PolarHBondContact O-N 3.3Å; Y236-T239 PolarHBondContact O-N 3.38Å; Y236-V240 VanDerWaalsContact O-CG2 3.25Å; Y236-V240 WeakPolarHBondContact O-CG2 3.49Å; Y236-V240 PolarHBondContact O-N 3.09Å; Y236-F248 HydrophobicContact CD1-CE2 4.47Å; Y236-F248 AromaticContact CD2-CE2 3.85Å; Y236-F248 HydrophobicContact CD2-CE2 3.85Å; Y236-F248 AromaticContact CD2-CZ 3.49Å; Y236-F248 HydrophobicContact CD2-CZ 3.49Å; Y236-F248 VanDerWaalsContact CD2-CZ 3.49Å; Y236-F248 HydrophobicContact CE2-CE2 4.44Å; Y236-F248 AromaticContact CE2-CZ 3.82Å; Y236-F248 HydrophobicContact CE2-CZ 3.82Å; Y236-F248 AromaticContact CG-CE2 3.87Å; Y236-F248 HydrophobicContact CG-CE2 3.87Å; Y236-F248 HydrophobicContact CG-CZ 4.02Å; Y236-A254 HydrophobicContact CE2-CB 4.07Å; Y236-L258 HydrophobicContact CD2-CD1 3.52Å; Y236-L258 HydrophobicContact CE2-CD1 4.1Å; Y236-L258 HydrophobicContact CG-CD1 4.39Å
237W97.4Very high97.1Very high2 Ų231 Ų311%0.00815%0.154CC..Hα-helixtrans-77.9-34.7-176.4-39.8122.3000111.3G234 R235 V240 Q241 F248 L255 L258 V266 Y269 W291 F292 V296G234-W237 PolarHBondContact O-N 3.39Å; R235-W237 VanDerWaalsContact C-N 3.29Å; R235-W237 PolarHBondContact O-N 3.22Å; W237-V240 PolarHBondContact O-N 3.26Å; W237-Q241 WeakPolarHBondContact O-CB 3.36Å; W237-Q241 PolarHBondContact O-N 3.31Å; W237-F248 HydrophobicContact CZ3-CE2 4.41Å; W237-L255 HydrophobicContact CH2-CD2 4.37Å; W237-L258 HydrophobicContact CH2-CD1 4.49Å; W237-L258 HydrophobicContact CZ2-CD1 3.71Å; W237-V266 HydrophobicContact CD2-CG1 4.31Å; W237-V266 HydrophobicContact CD2-CG2 4.39Å; W237-V266 HydrophobicContact CG-CB 4.5Å; W237-V266 HydrophobicContact CG-CG1 4.36Å; W237-V266 HydrophobicContact CZ2-CG2 4.26Å; W237-Y269 HydrophobicContact CB-CD2 3.59Å; W237-Y269 HydrophobicContact CB-CE2 4.29Å; W237-Y269 HydrophobicContact CB-CG 4.07Å; W237-W291 AromaticContact CZ2-CH2 3.91Å; W237-W291 HydrophobicContact CZ2-CH2 3.91Å; W237-W291 HydrophobicContact CZ2-CZ3 4.46Å; W237-F292 HydrophobicContact CH2-CE2 4.18Å; W237-V296 HydrophobicContact CE3-CG1 4.15Å; W237-V296 HydrophobicContact CH2-CB 4.4Å; W237-V296 HydrophobicContact CH2-CG1 3.79Å; W237-V296 HydrophobicContact CH2-CG2 3.72Å; W237-V296 HydrophobicContact CZ2-CG2 3.98Å; W237-V296 HydrophobicContact CZ3-CB 4.5Å; W237-V296 HydrophobicContact CZ3-CG1 3.47Å; W237-V296 VanDerWaalsContact CZ3-CG1 3.47Å; W237-V296 HydrophobicContact CZ3-CG2 4.21Å
238E97.4Very high97.4Very high19 Ų1929.7 Ų29.79%0.08915%0.146CC..Hα-helixtrans-56-51.3166.4178.7-82.2146.200110.8C25 G234 R235 V240 Q241 W242 Y269C25-E238 PolarHBondContact SG-OE1 3.42Å; G234-E238 PolarHBondContact O-N 3.25Å; R235-E238 VanDerWaalsContact CD-OE2 3.31Å; R235-E238 WeakPolarHBondContact CD-OE2 3.48Å; R235-E238 IonicContact NE-OE2 3.57Å; R235-E238 PolarHBondContact NE-OE2 3.27Å; R235-E238 VanDerWaalsContact NE-OE2 3.12Å; R235-E238 PolarHBondContact O-N 3.1Å; E238-V240 VanDerWaalsContact C-N 3.32Å; E238-V240 PolarHBondContact O-N 3.37Å; E238-Q241 WeakPolarHBondContact O-CB 3.35Å; E238-Q241 PolarHBondContact O-N 3.24Å; E238-W242 VanDerWaalsContact O-CB 3.32Å; E238-W242 WeakPolarHBondContact O-CB 3.03Å; E238-W242 PolarHBondContact O-N 3.32Å; E238-Y269 HydrophobicContact CB-CD1 3.97Å; E238-Y269 HydrophobicContact CB-CE1 3.45Å; E238-Y269 VanDerWaalsContact CB-CE1 3.45Å; E238-Y269 HydrophobicContact CB-CE2 4.47Å; E238-Y269 HydrophobicContact CG-CE1 3.93Å
239T97.6Very high97.5Very high0 Ų028.9 Ų28.90%014%0.141CC..Hα-helixtrans-64.1-37.6179.6-59.70000111.9E20 F224 R235 Y236 W242 L243 I245E20-T239 HydrophobicContact CG-CG2 3.92Å; F224-T239 HydrophobicContact CD2-CG2 4.27Å; R235-T239 PolarHBondContact NE-OG1 2.64Å; R235-T239 WeakPolarHBondContact O-CB 3.23Å; R235-T239 PolarHBondContact O-N 3.3Å; R235-T239 PolarHBondContact O-OG1 3.13Å; Y236-T239 PolarHBondContact O-N 3.38Å; T239-W242 PolarHBondContact O-N 3.1Å; T239-L243 HydrophobicContact CG2-CD1 3.71Å; T239-L243 HydrophobicContact CG2-CG 4.24Å; T239-L243 WeakPolarHBondContact O-CB 3.31Å; T239-L243 WeakPolarHBondContact O-CG 3.09Å; T239-L243 PolarHBondContact O-N 2.74Å; T239-I245 HydrophobicContact CG2-CD1 4.14Å
240V98.1Very high97.5Very high0 Ų026.7 Ų26.70%013%0.129CC..Hα-helixtrans-60.7-47.4172.8165.80000111.3Y236 W237 E238 Q244 I245 F248 W271 L274Y236-V240 VanDerWaalsContact O-CG2 3.25Å; Y236-V240 WeakPolarHBondContact O-CG2 3.49Å; Y236-V240 PolarHBondContact O-N 3.09Å; W237-V240 PolarHBondContact O-N 3.26Å; E238-V240 VanDerWaalsContact C-N 3.32Å; E238-V240 PolarHBondContact O-N 3.37Å; V240-Q244 VanDerWaalsContact O-CA 3.23Å; V240-Q244 WeakPolarHBondContact O-CA 3.07Å; V240-Q244 PolarHBondContact O-N 3.18Å; V240-I245 HydrophobicContact CB-CB 4.4Å; V240-I245 HydrophobicContact CG1-CB 4.37Å; V240-I245 HydrophobicContact CG2-CB 4.11Å; V240-I245 HydrophobicContact CG2-CD1 4.09Å; V240-I245 HydrophobicContact CG2-CG2 4.48Å; V240-I245 PolarHBondContact O-N 2.84Å; V240-I245 VanDerWaalsContact O-N 3.12Å; V240-F248 HydrophobicContact CG2-CD2 4.05Å; V240-W271 HydrophobicContact CG1-CB 3.81Å; V240-L274 HydrophobicContact CG1-CD1 3.88Å; V240-L274 HydrophobicContact CG1-CD2 3.89Å; V240-L274 HydrophobicContact CG1-CG 3.59Å; V240-L274 HydrophobicContact CG2-CD1 4.45Å; V240-L274 HydrophobicContact CG2-CD2 4.19Å
241Q97.8Very high97.4Very high71 Ų7125.8 Ų25.833%0.33213%0.133SC..Hα-helixtrans-63.7-46.8177.8-178.8-170.8-76.600111.3W237 E238 Q244 D270W237-Q241 WeakPolarHBondContact O-CB 3.36Å; W237-Q241 PolarHBondContact O-N 3.31Å; E238-Q241 WeakPolarHBondContact O-CB 3.35Å; E238-Q241 PolarHBondContact O-N 3.24Å; Q241-Q244 PolarHBondContact O-NE2 3.02Å; Q241-D270 VanDerWaalsContact CA-O 3.3Å; Q241-D270 WeakPolarHBondContact CA-O 3.17Å; Q241-D270 WeakPolarHBondContact CB-O 3.48Å; Q241-D270 HydrophobicContact CG-CB 4.16Å; Q241-D270 WeakPolarHBondContact CG-O 3.45Å
242W97.8Very high97.4Very high117 Ų11722.4 Ų22.444%0.44311%0.111SC..Hα-helixtrans-65.8-47-175.2-178.7-117.8000111.7C25 E27 E238 T239C25-W242 HydrophobicContact CB-CD2 4.19Å; C25-W242 HydrophobicContact CB-CZ2 4.1Å; E27-W242 PolarHBondContact OE1-NE1 2.83Å; E27-W242 PolarHBondContact OE2-NE1 3.25Å; E238-W242 VanDerWaalsContact O-CB 3.32Å; E238-W242 WeakPolarHBondContact O-CB 3.03Å; E238-W242 PolarHBondContact O-N 3.32Å; T239-W242 PolarHBondContact O-N 3.1Å
243L97.3Very high97.2Very high17 Ų1723.8 Ų23.89%0.08912%0.121CC..Hα-helixtrans-92.7-0.2-176.3-55.8-176.3000113.8I18 E20 E27 V222 T239 I245I18-L243 HydrophobicContact CD1-CD2 4.44Å; I18-L243 HydrophobicContact CG2-CD1 3.81Å; I18-L243 HydrophobicContact CG2-CD2 3.8Å; I18-L243 HydrophobicContact CG2-CG 4.43Å; E20-L243 HydrophobicContact CB-CD1 4.21Å; E27-L243 HydrophobicContact CB-CD2 4.47Å; E27-L243 HydrophobicContact CG-CD2 4.34Å; V222-L243 HydrophobicContact CG1-CD1 3.77Å; V222-L243 HydrophobicContact CG2-CD1 3.99Å; T239-L243 HydrophobicContact CG2-CD1 3.71Å; T239-L243 HydrophobicContact CG2-CG 4.24Å; T239-L243 WeakPolarHBondContact O-CB 3.31Å; T239-L243 WeakPolarHBondContact O-CG 3.09Å; T239-L243 PolarHBondContact O-N 2.74Å; L243-I245 VanDerWaalsContact C-N 3.29Å; L243-I245 HydrophobicContact CB-CG1 4.04Å; L243-I245 PolarHBondContact O-N 3.26Å
244Q97.9Very high97Very high93 Ų9324 Ų2444%0.43512%0.124SC..THydrogen-bonded Turntrans53.145.3-177.7-63.3-69.9-65.200112.6V240 Q241 N246V240-Q244 VanDerWaalsContact O-CA 3.23Å; V240-Q244 WeakPolarHBondContact O-CA 3.07Å; V240-Q244 PolarHBondContact O-N 3.18Å; Q241-Q244 PolarHBondContact O-NE2 3.02Å; Q244-N246 PolarHBondContact O-N 2.99Å
245I98.5Very high96.9Very high0 Ų024 Ų240%012%0.124CC..  trans-60134.8-177.6-65.3177000110.3V194 M198 V222 T239 V240 L243 Q247 S273 L274V194-I245 HydrophobicContact CG1-CG1 4.07Å; M198-I245 HydrophobicContact CE-CD1 3.63Å; V222-I245 HydrophobicContact CG2-CD1 4.2Å; V222-I245 HydrophobicContact CG2-CG1 4.29Å; T239-I245 HydrophobicContact CG2-CD1 4.14Å; V240-I245 HydrophobicContact CB-CB 4.4Å; V240-I245 HydrophobicContact CG1-CB 4.37Å; V240-I245 HydrophobicContact CG2-CB 4.11Å; V240-I245 HydrophobicContact CG2-CD1 4.09Å; V240-I245 HydrophobicContact CG2-CG2 4.48Å; V240-I245 PolarHBondContact O-N 2.84Å; V240-I245 VanDerWaalsContact O-N 3.12Å; L243-I245 VanDerWaalsContact C-N 3.29Å; L243-I245 HydrophobicContact CB-CG1 4.04Å; L243-I245 PolarHBondContact O-N 3.26Å; I245-Q247 VanDerWaalsContact CG2-O 3.23Å; I245-Q247 WeakPolarHBondContact CG2-O 3.35Å; I245-S273 CarbonylContact O-C 3.58Å; I245-S273 VanDerWaalsContact O-C 3.32Å; I245-S273 WeakPolarHBondContact O-CB 3.39Å; I245-S273 PolarHBondContact O-OG 3.21Å; I245-L274 HydrophobicContact CB-CD2 4.44Å; I245-L274 HydrophobicContact CG2-CD2 4.01Å; I245-L274 WeakPolarHBondContact O-CD2 3.48Å; I245-L274 PolarHBondContact O-N 2.77Å
246N98.4Very high96.6Very high32 Ų3227.9 Ų27.917%0.17114%0.139CC..SBendtrans-98.1-38.1178.7-58.3105.9000112.4D193 V194 Q244 S273 R275 M276D193-N246 VanDerWaalsContact CA-OD1 3.32Å; D193-N246 WeakPolarHBondContact CA-OD1 3.22Å; D193-N246 HydrophobicContact CB-CB 4.09Å; V194-N246 PolarHBondContact N-OD1 3.33Å; V194-N246 PolarHBondContact O-N 3.23Å; Q244-N246 PolarHBondContact O-N 2.99Å; N246-S273 WeakPolarHBondContact CA-O 3.34Å; N246-S273 PolarHBondContact ND2-O 3.12Å; N246-S273 VanDerWaalsContact ND2-O 3.13Å; N246-R275 PolarHBondContact O-N 3.2Å; N246-M276 PolarHBondContact O-N 3.04Å
247Q98.2Very high96.5Very high0 Ų030.5 Ų30.50%015%0.153CC..EExtended strand (participates in β ladder)trans-121.5120.5175.2-54.880.527.500110.1F187 D193 V194 F195 G196 I245 M276F187-Q247 HydrophobicContact CB-CG 4.42Å; D193-Q247 PolarHBondContact OD2-NE2 2.74Å; V194-Q247 PolarHBondContact O-N 2.93Å; F195-Q247 HydrophobicContact CD2-CB 3.59Å; F195-Q247 HydrophobicContact CD2-CG 4.13Å; F195-Q247 HydrophobicContact CE2-CB 3.69Å; F195-Q247 HydrophobicContact CE2-CG 4.37Å; G196-Q247 WeakPolarHBondContact CA-O 3.44Å; G196-Q247 PolarHBondContact N-O 3.18Å; I245-Q247 VanDerWaalsContact CG2-O 3.23Å; I245-Q247 WeakPolarHBondContact CG2-O 3.35Å; Q247-M276 WeakPolarHBondContact CA-O 3.43Å; Q247-M276 HydrophobicContact CB-CB 4.41Å; Q247-M276 HydrophobicContact CG-CB 3.99Å
248F98.4Very high96.4Very high0 Ų030.6 Ų30.60%015%0.154CC..EExtended strand (participates in β ladder)trans-97.8127.2173.4-179.4-79.6000109.7M198 Y236 W237 V240 L255 L274 M276 L277 G278 F292M198-F248 HydrophobicContact CE-CD2 3.8Å; M198-F248 HydrophobicContact CE-CE2 3.76Å; M198-F248 HydrophobicContact CG-CD2 4.19Å; M198-F248 HydrophobicContact CG-CE1 4.49Å; M198-F248 HydrophobicContact CG-CE2 3.44Å; M198-F248 VanDerWaalsContact CG-CE2 3.44Å; M198-F248 HydrophobicContact CG-CZ 3.63Å; M198-F248 HydrophobicContact SD-CE2 4.26Å; Y236-F248 HydrophobicContact CD1-CE2 4.47Å; Y236-F248 AromaticContact CD2-CE2 3.85Å; Y236-F248 HydrophobicContact CD2-CE2 3.85Å; Y236-F248 AromaticContact CD2-CZ 3.49Å; Y236-F248 HydrophobicContact CD2-CZ 3.49Å; Y236-F248 VanDerWaalsContact CD2-CZ 3.49Å; Y236-F248 HydrophobicContact CE2-CE2 4.44Å; Y236-F248 AromaticContact CE2-CZ 3.82Å; Y236-F248 HydrophobicContact CE2-CZ 3.82Å; Y236-F248 AromaticContact CG-CE2 3.87Å; Y236-F248 HydrophobicContact CG-CE2 3.87Å; Y236-F248 HydrophobicContact CG-CZ 4.02Å; W237-F248 HydrophobicContact CZ3-CE2 4.41Å; V240-F248 HydrophobicContact CG2-CD2 4.05Å; F248-L255 HydrophobicContact CE1-CD2 4.34Å; F248-L274 HydrophobicContact CB-CD2 3.83Å; F248-M276 PolarHBondContact N-O 3.22Å; F248-L277 HydrophobicContact CB-CD2 4.08Å; F248-L277 CarbonylContact O-C 3.41Å; F248-G278 PolarHBondContact O-N 3.23Å; F248-F292 HydrophobicContact CD1-CE2 4.26Å; F248-F292 AromaticContact CD1-CZ 3.67Å; F248-F292 HydrophobicContact CD1-CZ 3.67Å; F248-F292 HydrophobicContact CE1-CE2 4.42Å; F248-F292 HydrophobicContact CE1-CZ 4Å
249Y98.2Very high96.3Very high0 Ų030.8 Ų30.80%016%0.155CC..EExtended strand (participates in β ladder)trans-128.5116.1178.7-174.7-143000111.1F187 F195 G196 C197 M198 T205 Y209 V280 T306 W308F187-Y249 HydrophobicContact CE1-CD1 4.24Å; F187-Y249 AromaticContact CE1-CD2 3.71Å; F187-Y249 HydrophobicContact CE1-CD2 3.71Å; F187-Y249 AromaticContact CE1-CE2 3.99Å; F187-Y249 HydrophobicContact CE1-CE2 3.99Å; F187-Y249 AromaticContact CE1-CG 3.84Å; F187-Y249 HydrophobicContact CE1-CG 3.84Å; F187-Y249 AromaticContact CZ-CD1 3.87Å; F187-Y249 HydrophobicContact CZ-CD1 3.87Å; F187-Y249 AromaticContact CZ-CD2 3.86Å; F187-Y249 HydrophobicContact CZ-CD2 3.86Å; F187-Y249 AromaticContact CZ-CE1 3.76Å; F187-Y249 HydrophobicContact CZ-CE1 3.76Å; F187-Y249 AromaticContact CZ-CE2 3.73Å; F187-Y249 HydrophobicContact CZ-CE2 3.73Å; F187-Y249 AromaticContact CZ-CG 3.92Å; F187-Y249 HydrophobicContact CZ-CG 3.92Å; F187-Y249 AromaticContact CZ-CZ 3.68Å; F195-Y249 HydrophobicContact CE1-CD1 4.45Å; F195-Y249 HydrophobicContact CZ-CD1 4.17Å; F195-Y249 HydrophobicContact CZ-CG 4.43Å; G196-Y249 PolarHBondContact O-N 2.76Å; C197-Y249 WeakPolarHBondContact CA-O 2.91Å; C197-Y249 HydrophobicContact CB-CD1 4.1Å; C197-Y249 WeakPolarHBondContact SG-CD1 3.46Å; M198-Y249 PolarHBondContact N-O 3.16Å; T205-Y249 HydrophobicContact CG2-CD1 4.27Å; T205-Y249 HydrophobicContact CG2-CE1 3.62Å; Y209-Y249 AromaticContact CD2-CE1 3.77Å; Y209-Y249 HydrophobicContact CD2-CE1 3.77Å; Y209-Y249 HydrophobicContact CG-CD1 4.46Å; Y209-Y249 AromaticContact CG-CE1 3.87Å; Y209-Y249 HydrophobicContact CG-CE1 3.87Å; Y249-V280 HydrophobicContact CD2-CG1 4.24Å; Y249-V280 HydrophobicContact CE1-CG1 4.19Å; Y249-V280 HydrophobicContact CE2-CB 3.54Å; Y249-V280 HydrophobicContact CE2-CG1 3.57Å; Y249-V280 VanDerWaalsContact OH-CB 3.25Å; Y249-V280 WeakPolarHBondContact OH-CB 3.31Å; Y249-V280 WeakPolarHBondContact OH-CG2 3.4Å; Y249-T306 HydrophobicContact CE2-CG2 4.3Å; Y249-T306 PolarHBondContact OH-OG1 3.18Å; Y249-W308 PolarHBondContact OH-NE1 3.43Å; Y249-W308 VanDerWaalsContact OH-NE1 3.13Å
250G96.3Very high96.2Very high4 Ų439.9 Ų39.94%0.04119%0.19CC..EExtended strand (participates in β ladder)trans-146.4174-173.100000114.3G278 L279 V280G250-G278 PolarHBondContact N-O 3.06Å; G250-G278 VanDerWaalsContact N-O 3.12Å; G250-L279 WeakPolarHBondContact O-CA 3.08Å; G250-V280 PolarHBondContact O-N 3.26Å
251A95Very high96.1Very high38 Ų3844 Ų4431%0.31421%0.209SC..  trans-90.8142.9178.200000111.5T253 A254 L255A251-T253 PolarHBondContact O-N 3.19Å; A251-T253 VanDerWaalsContact O-N 3.15Å; A251-A254 WeakPolarHBondContact O-CB 3.32Å; A251-A254 PolarHBondContact O-N 2.89Å; A251-L255 PolarHBondContact O-N 3.35Å
252P95.5Very high95.9Very high2 Ų242 Ų421%0.01321%0.207CC..Hα-helixtrans-54.5-33.6175.3-29.637.3000114A254 L255 W256 L279 V280 E282 I284P252-A254 VanDerWaalsContact C-N 3.29Å; P252-A254 PolarHBondContact O-N 3.1Å; P252-L255 PolarHBondContact O-N 2.83Å; P252-W256 WeakPolarHBondContact O-CB 3.17Å; P252-W256 PolarHBondContact O-N 3.08Å; P252-L279 HydrophobicContact CG-CD2 4.32Å; P252-V280 WeakPolarHBondContact CD-O 3.44Å; P252-E282 WeakPolarHBondContact CG-O 3.37Å; P252-I284 HydrophobicContact CB-CB 4.1Å; P252-I284 HydrophobicContact CB-CD1 4.5Å; P252-I284 HydrophobicContact CB-CG1 4.27Å; P252-I284 HydrophobicContact CG-CB 3.98Å
253T93.1Very high95.8Very high77 Ų7738.5 Ų38.547%0.47220%0.197SC..Hα-helixtrans-59.1-37.8175.7-69.10000112.8A251 L257 E282A251-T253 PolarHBondContact O-N 3.19Å; A251-T253 VanDerWaalsContact O-N 3.15Å; T253-L257 PolarHBondContact O-N 2.97Å; T253-E282 PolarHBondContact OG1-OE1 3.17Å; T253-E282 PolarHBondContact OG1-OE2 2.95Å
254A93.5Very high95.8Very high16 Ų1642.8 Ų42.813%0.13222%0.22CC..Hα-helixtrans-71.4-40.4176.100000111.4P228 Y236 A251 P252 L257 L258P228-A254 HydrophobicContact CG-CB 4.48Å; Y236-A254 HydrophobicContact CE2-CB 4.07Å; A251-A254 WeakPolarHBondContact O-CB 3.32Å; A251-A254 PolarHBondContact O-N 2.89Å; P252-A254 VanDerWaalsContact C-N 3.29Å; P252-A254 PolarHBondContact O-N 3.1Å; A254-L257 WeakPolarHBondContact O-CB 3.37Å; A254-L257 PolarHBondContact O-N 3.07Å; A254-L258 WeakPolarHBondContact O-CG 3.47Å; A254-L258 PolarHBondContact O-N 3.47Å; A254-L258 VanDerWaalsContact O-N 3.08Å
255L93.3Very high95.8Very high1 Ų141.3 Ų41.31%0.00521%0.211CC..Hα-helixtrans-67.2-40.1178.1-61.8-173.1000112.7W237 F248 A251 P252 L257 L258 L259 L279 W291 F292W237-L255 HydrophobicContact CH2-CD2 4.37Å; F248-L255 HydrophobicContact CE1-CD2 4.34Å; A251-L255 PolarHBondContact O-N 3.35Å; P252-L255 PolarHBondContact O-N 2.83Å; L255-L257 PolarHBondContact O-N 2.97Å; L255-L258 PolarHBondContact O-N 3.36Å; L255-L258 VanDerWaalsContact O-N 3.16Å; L255-L259 WeakPolarHBondContact O-CB 3.26Å; L255-L259 PolarHBondContact O-N 2.88Å; L255-L279 HydrophobicContact CD1-CD2 3.3Å; L255-L279 HydrophobicContact CG-CD2 4.34Å; L255-W291 HydrophobicContact CD2-CZ3 4.41Å; L255-F292 HydrophobicContact CD1-CB 4.09Å; L255-F292 HydrophobicContact CD1-CD1 3.36Å; L255-F292 HydrophobicContact CD1-CD2 3.76Å; L255-F292 HydrophobicContact CD1-CE1 3.55Å; L255-F292 HydrophobicContact CD1-CE2 3.94Å; L255-F292 HydrophobicContact CD1-CG 3.49Å; L255-F292 VanDerWaalsContact CD1-CG 3.49Å; L255-F292 HydrophobicContact CD1-CZ 3.85Å; L255-F292 HydrophobicContact CD2-CD2 4.04Å; L255-F292 HydrophobicContact CD2-CE2 3.83Å; L255-F292 HydrophobicContact CD2-CZ 4.18Å
256W92.5Very high95.6Very high83 Ų8341.4 Ų41.431%0.31421%0.211SC..Hα-helixtrans-56.6-40.3172.7-104.5114.5000112.5P252 L259 R260 N285P252-W256 WeakPolarHBondContact O-CB 3.17Å; P252-W256 PolarHBondContact O-N 3.08Å; W256-L259 HydrophobicContact CE3-CD2 4.32Å; W256-L259 HydrophobicContact CZ3-CD2 4.45Å; W256-R260 WeakPolarHBondContact O-CG 3.41Å; W256-N285 HydrophobicContact CZ2-CB 4.05Å; W256-N285 WeakPolarHBondContact CZ2-ND2 3.12Å; W256-N285 PolarHBondContact NE1-ND2 3.39Å
257L94.4Very high95.5Very high69 Ų6946.6 Ų46.636%0.36123%0.228SC..Hα-helixtrans-63.3-48.1175.6174.363.6000110.6P228 V229 T253 A254 L255 R260 H261P228-L257 HydrophobicContact CG-CD2 4.14Å; V229-L257 HydrophobicContact CG1-CD2 3.68Å; V229-L257 HydrophobicContact CG1-CG 4.02Å; T253-L257 PolarHBondContact O-N 2.97Å; A254-L257 WeakPolarHBondContact O-CB 3.37Å; A254-L257 PolarHBondContact O-N 3.07Å; L255-L257 PolarHBondContact O-N 2.97Å; L257-R260 PolarHBondContact O-N 3.16Å; L257-H261 PolarHBondContact O-CD2 3.18Å
258L96Very high95.4Very high3 Ų352.2 Ų52.22%0.01625%0.252CS..Hα-helixtrans-66.4-41.5-178.3-67.2175.5000113P228 V229 P233 Y236 W237 A254 L255 R260 H261 W291P228-L258 HydrophobicContact CB-CD1 4.25Å; P228-L258 HydrophobicContact CB-CD2 4.1Å; P228-L258 HydrophobicContact CB-CG 4.29Å; V229-L258 HydrophobicContact CG1-CD2 4.31Å; P233-L258 HydrophobicContact CB-CD2 4.17Å; P233-L258 VanDerWaalsContact O-CD2 3.27Å; P233-L258 WeakPolarHBondContact O-CD2 3.05Å; Y236-L258 HydrophobicContact CD2-CD1 3.52Å; Y236-L258 HydrophobicContact CE2-CD1 4.1Å; Y236-L258 HydrophobicContact CG-CD1 4.39Å; W237-L258 HydrophobicContact CH2-CD1 4.49Å; W237-L258 HydrophobicContact CZ2-CD1 3.71Å; A254-L258 WeakPolarHBondContact O-CG 3.47Å; A254-L258 PolarHBondContact O-N 3.47Å; A254-L258 VanDerWaalsContact O-N 3.08Å; L255-L258 PolarHBondContact O-N 3.36Å; L255-L258 VanDerWaalsContact O-N 3.16Å; L258-R260 PolarHBondContact O-N 2.86Å; L258-H261 WeakPolarHBondContact O-CB 3.41Å; L258-H261 PolarHBondContact O-N 3.21Å; L258-W291 HydrophobicContact CB-CH2 4.08Å
259L94.8Very high95.3Very high24 Ų2454.5 Ų54.513%0.12626%0.261CS..Hα-helixtrans-51.8-41175169.464.5000111.8L255 W256 H261 G262 E287 A288 W291L255-L259 WeakPolarHBondContact O-CB 3.26Å; L255-L259 PolarHBondContact O-N 2.88Å; W256-L259 HydrophobicContact CE3-CD2 4.32Å; W256-L259 HydrophobicContact CZ3-CD2 4.45Å; L259-H261 PolarHBondContact O-N 2.8Å; L259-G262 PolarHBondContact O-N 3.41Å; L259-G262 VanDerWaalsContact O-N 3.15Å; L259-E287 HydrophobicContact CD2-CG 4.07Å; L259-A288 HydrophobicContact CD2-CB 4.42Å; L259-W291 HydrophobicContact CB-CD2 4.25Å; L259-W291 HydrophobicContact CB-CE3 4.35Å; L259-W291 HydrophobicContact CD1-CB 3.85Å; L259-W291 HydrophobicContact CD1-CD2 3.82Å; L259-W291 HydrophobicContact CD1-CG 3.41Å; L259-W291 VanDerWaalsContact CD1-CG 3.41Å; L259-W291 HydrophobicContact CG-CG 4.5Å
260R94.9Very high95.2Very high190 Ų19058.3 Ų58.372%0.71728%0.282SS*.THydrogen-bonded Turntrans-67.9-21.2-179.9-69174.5-176.3-173.53114W256 L257 L258 G262W256-R260 WeakPolarHBondContact O-CG 3.41Å; L257-R260 PolarHBondContact O-N 3.16Å; L258-R260 PolarHBondContact O-N 2.86Å; R260-G262 VanDerWaalsContact C-N 3.32Å
261H96.2Very high95.1Very high88 Ų8859 Ų5941%0.40728%0.283SS..THydrogen-bonded Turntrans-82.8-12.5176.7-72.2-72.8000112.9P233 L257 L258 L259 W265P233-H261 HydrophobicContact CB-CB 3.71Å; P233-H261 HydrophobicContact CG-CB 3.9Å; P233-H261 VanDerWaalsContact CG-CG 3.42Å; P233-H261 WeakPolarHBondContact CG-ND1 3.28Å; L257-H261 PolarHBondContact O-CD2 3.18Å; L258-H261 WeakPolarHBondContact O-CB 3.41Å; L258-H261 PolarHBondContact O-N 3.21Å; L259-H261 PolarHBondContact O-N 2.8Å; H261-W265 VanDerWaalsContact O-CD1 3.31Å
262G94.4Very high95.2Very high28 Ų2860.5 Ų60.529%0.28929%0.291SS..  trans91.5156.6177.100000114.2L259 R260 D264 W265L259-G262 PolarHBondContact O-N 3.41Å; L259-G262 VanDerWaalsContact O-N 3.15Å; R260-G262 VanDerWaalsContact C-N 3.32Å; G262-D264 PolarHBondContact O-N 3.47Å; G262-W265 PolarHBondContact O-N 3.31Å
263D96.1Very high95.3Very high43 Ų4361.3 Ų61.323%0.2330%0.297CS..G310 helixtrans-63.8-24.1-172.7-58.1-4000114.2W265 V266 R267 W291 V295D263-W265 PolarHBondContact O-N 2.85Å; D263-W265 VanDerWaalsContact O-N 3.11Å; D263-V266 WeakPolarHBondContact O-CA 3.11Å; D263-V266 WeakPolarHBondContact O-CB 3.3Å; D263-V266 PolarHBondContact O-N 2.77Å; D263-R267 PolarHBondContact O-N 2.75Å; D263-R267 IonicContact OD2-CZ 3.87Å; D263-R267 IonicContact OD2-NH1 3.73Å; D263-R267 IonicContact OD2-NH2 3.47Å; D263-R267 PolarHBondContact OD2-NH2 3.35Å; D263-W291 PolarHBondContact OD1-NE1 2.87Å; D263-V295 HydrophobicContact CB-CG1 3.93Å
264D96.8Very high95.5Very high108 Ų10857.6 Ų57.658%0.57827%0.274SS*.G310 helixtrans-61.5-23.1-176.3-65.8-19.4000112G262 R267 K268G262-D264 PolarHBondContact O-N 3.47Å; D264-R267 IonicContact OD1-NH1 2.64Å; D264-K268 WeakPolarHBondContact O-CD 3.45Å; D264-K268 WeakPolarHBondContact O-CE 3.03Å; D264-K268 WeakPolarHBondContact O-CG 3.46Å; D264-K268 PolarHBondContact O-N 2.86Å
265W96.6Very high95.7Very high62 Ų6259.9 Ų59.924%0.23528%0.28CS..G310 helixtrans-71.4-31.7172.9-71.2103.3000113.4D232 P233 H261 G262 D263 K268 Y269D232-W265 HydrophobicContact CB-CE3 4.48Å; D232-W265 HydrophobicContact CB-CH2 3.71Å; D232-W265 HydrophobicContact CB-CZ3 3.65Å; D232-W265 VanDerWaalsContact OD1-CZ3 3.25Å; D232-W265 WeakPolarHBondContact OD1-CZ3 3.47Å; P233-W265 HydrophobicContact CB-CB 4.49Å; P233-W265 HydrophobicContact CB-CD2 4.03Å; P233-W265 HydrophobicContact CB-CG 3.93Å; P233-W265 HydrophobicContact CG-CD2 4.36Å; P233-W265 HydrophobicContact CG-CZ2 4.42Å; H261-W265 VanDerWaalsContact O-CD1 3.31Å; G262-W265 PolarHBondContact O-N 3.31Å; D263-W265 PolarHBondContact O-N 2.85Å; D263-W265 VanDerWaalsContact O-N 3.11Å; W265-K268 HydrophobicContact CE3-CD 4.05Å; W265-K268 HydrophobicContact CZ3-CD 4.37Å; W265-Y269 WeakPolarHBondContact O-CD2 3.24Å; W265-Y269 VanDerWaalsContact O-CE2 3.24Å; W265-Y269 WeakPolarHBondContact O-CE2 3.07Å
266V95.4Very high95.8Very high1 Ų160 Ų601%0.00628%0.28CS..THydrogen-bonded Turntrans-71.3-54172-169.70000107.9W237 D263 K268 Y269 W271 W291 V295 V296W237-V266 HydrophobicContact CD2-CG1 4.31Å; W237-V266 HydrophobicContact CD2-CG2 4.39Å; W237-V266 HydrophobicContact CG-CB 4.5Å; W237-V266 HydrophobicContact CG-CG1 4.36Å; W237-V266 HydrophobicContact CZ2-CG2 4.26Å; D263-V266 WeakPolarHBondContact O-CA 3.11Å; D263-V266 WeakPolarHBondContact O-CB 3.3Å; D263-V266 PolarHBondContact O-N 2.77Å; V266-K268 PolarHBondContact O-N 3.11Å; V266-Y269 PolarHBondContact O-N 3.08Å; V266-Y269 VanDerWaalsContact O-N 3.09Å; V266-W271 HydrophobicContact CG1-CD2 3.97Å; V266-W271 HydrophobicContact CG1-CE3 3.94Å; V266-W271 HydrophobicContact CG1-CH2 4Å; V266-W271 HydrophobicContact CG1-CZ2 3.94Å; V266-W271 HydrophobicContact CG1-CZ3 3.99Å; V266-W271 VanDerWaalsContact O-CE3 3.27Å; V266-W271 WeakPolarHBondContact O-CZ3 3.26Å; V266-W291 HydrophobicContact CG2-CH2 4.11Å; V266-W291 HydrophobicContact CG2-CZ2 3.7Å; V266-V295 HydrophobicContact CB-CG1 4.48Å; V266-V295 HydrophobicContact CG2-CG1 4.39Å; V266-V296 HydrophobicContact CG1-CG2 4.14Å; V266-V296 HydrophobicContact CG2-CG2 4.11Å
267R95.4Very high96Very high142 Ų14256.1 Ų56.154%0.53627%0.265SS..THydrogen-bonded Turntrans-60.3-9.3-173.4-64.5-175.2-173.9123.511.1116.6D263 D264 Y269 W271D263-R267 PolarHBondContact O-N 2.75Å; D263-R267 IonicContact OD2-CZ 3.87Å; D263-R267 IonicContact OD2-NH1 3.73Å; D263-R267 IonicContact OD2-NH2 3.47Å; D263-R267 PolarHBondContact OD2-NH2 3.35Å; D264-R267 IonicContact OD1-NH1 2.64Å; R267-Y269 VanDerWaalsContact C-N 3.33Å; R267-W271 VanDerWaalsContact CA-CZ3 3.46Å; R267-W271 HydrophobicContact CB-CH2 4.35Å; R267-W271 HydrophobicContact CG-CH2 4.13Å
268K96.1Very high96.2Very high117 Ų11752.8 Ų52.851%0.50925%0.248SC..THydrogen-bonded Turntrans-75.6-20.8174.9-80165.3-168.2-176.50113.7D264 W265 V266D264-K268 WeakPolarHBondContact O-CD 3.45Å; D264-K268 WeakPolarHBondContact O-CE 3.03Å; D264-K268 WeakPolarHBondContact O-CG 3.46Å; D264-K268 PolarHBondContact O-N 2.86Å; W265-K268 HydrophobicContact CE3-CD 4.05Å; W265-K268 HydrophobicContact CZ3-CD 4.37Å; V266-K268 PolarHBondContact O-N 3.11Å
269Y97Very high96.2Very high48 Ų4852.7 Ų52.719%0.18825%0.247CC..SBendtrans-113.1167-170.9-57.7-80.7000111.5W237 E238 W265 V266 R267 W271W237-Y269 HydrophobicContact CB-CD2 3.59Å; W237-Y269 HydrophobicContact CB-CE2 4.29Å; W237-Y269 HydrophobicContact CB-CG 4.07Å; E238-Y269 HydrophobicContact CB-CD1 3.97Å; E238-Y269 HydrophobicContact CB-CE1 3.45Å; E238-Y269 VanDerWaalsContact CB-CE1 3.45Å; E238-Y269 HydrophobicContact CB-CE2 4.47Å; E238-Y269 HydrophobicContact CG-CE1 3.93Å; W265-Y269 WeakPolarHBondContact O-CD2 3.24Å; W265-Y269 VanDerWaalsContact O-CE2 3.24Å; W265-Y269 WeakPolarHBondContact O-CE2 3.07Å; V266-Y269 PolarHBondContact O-N 3.08Å; V266-Y269 VanDerWaalsContact O-N 3.09Å; R267-Y269 VanDerWaalsContact C-N 3.33Å; Y269-W271 WeakPolarHBondContact O-CZ3 3.43Å
270D96.4Very high96.3Very high80 Ų8052 Ų5243%0.42824%0.244SC..  trans-98.2107.7166.6179.58.5000109Q241 S272Q241-D270 VanDerWaalsContact CA-O 3.3Å; Q241-D270 WeakPolarHBondContact CA-O 3.17Å; Q241-D270 WeakPolarHBondContact CB-O 3.48Å; Q241-D270 HydrophobicContact CG-CB 4.16Å; Q241-D270 WeakPolarHBondContact CG-O 3.45Å; D270-S272 WeakPolarHBondContact OD1-CB 3.38Å; D270-S272 PolarHBondContact OD1-N 2.85Å; D270-S272 PolarHBondContact OD1-OG 3.47Å; D270-S272 PolarHBondContact OD2-OG 2.91Å
271W94.3Very high96.1Very high20 Ų2046.1 Ų46.18%0.07624%0.242CC..  trans-110.524175.865.390000111.9V240 V266 R267 Y269 S273 L274 V296 E298 R300V240-W271 HydrophobicContact CG1-CB 3.81Å; V266-W271 HydrophobicContact CG1-CD2 3.97Å; V266-W271 HydrophobicContact CG1-CE3 3.94Å; V266-W271 HydrophobicContact CG1-CH2 4Å; V266-W271 HydrophobicContact CG1-CZ2 3.94Å; V266-W271 HydrophobicContact CG1-CZ3 3.99Å; V266-W271 VanDerWaalsContact O-CE3 3.27Å; V266-W271 WeakPolarHBondContact O-CZ3 3.26Å; R267-W271 VanDerWaalsContact CA-CZ3 3.46Å; R267-W271 HydrophobicContact CB-CH2 4.35Å; R267-W271 HydrophobicContact CG-CH2 4.13Å; Y269-W271 WeakPolarHBondContact O-CZ3 3.43Å; W271-S273 PolarHBondContact O-N 3.18Å; W271-L274 HydrophobicContact CB-CD1 3.97Å; W271-L274 HydrophobicContact CB-CG 4.42Å; W271-L274 HydrophobicContact CG-CD1 4.4Å; W271-L274 WeakPolarHBondContact O-CB 3.49Å; W271-L274 PolarHBondContact O-N 3.32Å; W271-L274 VanDerWaalsContact O-N 3.12Å; W271-V296 PolarHBondContact NE1-O 3.07Å; W271-E298 HydrophobicContact CZ2-CG 4.31Å; W271-R300 PolarHBondContact O-NH2 3.36Å
272S96.7Very high96Very high69 Ų6946.9 Ų46.948%0.48325%0.246SC..THydrogen-bonded Turntrans-60.6-25179.661.10000113.4D270 L274 R300D270-S272 WeakPolarHBondContact OD1-CB 3.38Å; D270-S272 PolarHBondContact OD1-N 2.85Å; D270-S272 PolarHBondContact OD1-OG 3.47Å; D270-S272 PolarHBondContact OD2-OG 2.91Å; S272-L274 PolarHBondContact O-N 3.46Å; S272-R300 PolarHBondContact O-NH1 3.06Å; S272-R300 PolarHBondContact O-NH2 3.47Å
273S97.9Very high95.9Very high18 Ų1851.5 Ų51.513%0.12627%0.271CS..THydrogen-bonded Turntrans-62.5-27.7175.3630000113.8I245 N246 W271 R275I245-S273 CarbonylContact O-C 3.58Å; I245-S273 VanDerWaalsContact O-C 3.32Å; I245-S273 WeakPolarHBondContact O-CB 3.39Å; I245-S273 PolarHBondContact O-OG 3.21Å; N246-S273 WeakPolarHBondContact CA-O 3.34Å; N246-S273 PolarHBondContact ND2-O 3.12Å; N246-S273 VanDerWaalsContact ND2-O 3.13Å; W271-S273 PolarHBondContact O-N 3.18Å; S273-R275 PolarHBondContact O-N 3.48Å
274L97.8Very high95.7Very high0 Ų050.9 Ų50.90%027%0.268CS..  trans-61.7135.6178.4-70176.2000110V240 I245 F248 W271 S272 L277 V296 R300 C301V240-L274 HydrophobicContact CG1-CD1 3.88Å; V240-L274 HydrophobicContact CG1-CD2 3.89Å; V240-L274 HydrophobicContact CG1-CG 3.59Å; V240-L274 HydrophobicContact CG2-CD1 4.45Å; V240-L274 HydrophobicContact CG2-CD2 4.19Å; I245-L274 HydrophobicContact CB-CD2 4.44Å; I245-L274 HydrophobicContact CG2-CD2 4.01Å; I245-L274 WeakPolarHBondContact O-CD2 3.48Å; I245-L274 PolarHBondContact O-N 2.77Å; F248-L274 HydrophobicContact CB-CD2 3.83Å; W271-L274 HydrophobicContact CB-CD1 3.97Å; W271-L274 HydrophobicContact CB-CG 4.42Å; W271-L274 HydrophobicContact CG-CD1 4.4Å; W271-L274 WeakPolarHBondContact O-CB 3.49Å; W271-L274 PolarHBondContact O-N 3.32Å; W271-L274 VanDerWaalsContact O-N 3.12Å; S272-L274 PolarHBondContact O-N 3.46Å; L274-L277 HydrophobicContact CD1-CD2 4.09Å; L274-V296 HydrophobicContact CD1-CG1 4.21Å; L274-R300 VanDerWaalsContact O-CZ 3.25Å; L274-R300 PolarHBondContact O-NH1 3.16Å; L274-R300 PolarHBondContact O-NH2 3.37Å; L274-C301 PolarHBondContact O-SG 3.44Å; L274-C301 VanDerWaalsContact O-SG 3.41Å
275R96.3Very high95.5Very high64 Ų6447.8 Ų47.824%0.24225%0.251CS..  trans-127.3-17.6170.974.5173.2-152.8-123.9-16.1113.3D188 Q190 D193 N246 S273 C301 P302D188-R275 PolarHBondContact O-NH2 3.42Å; Q190-R275 VanDerWaalsContact CG-NH1 3.32Å; D193-R275 IonicContact OD1-CZ 3.23Å; D193-R275 IonicContact OD1-NH1 3.72Å; D193-R275 PolarHBondContact OD1-NH1 2.73Å; D193-R275 IonicContact OD2-CZ 2.86Å; D193-R275 IonicContact OD2-NH1 3.01Å; D193-R275 PolarHBondContact OD2-NH1 3.35Å; D193-R275 IonicContact OD2-NH2 3.07Å; D193-R275 PolarHBondContact OD2-NH2 2.71Å; N246-R275 PolarHBondContact O-N 3.2Å; S273-R275 PolarHBondContact O-N 3.48Å; R275-C301 WeakPolarHBondContact O-CA 3.17Å; R275-P302 WeakPolarHBondContact O-CD 3.29Å
276M96.1Very high95.3Very high4 Ų452.1 Ų52.12%0.0227%0.274CS..EExtended strand (participates in β ladder)trans-141.4142.4176.7-169.6-175.5-63.500111.6V186 F187 D188 N246 Q247 F248 V304 P321V186-M276 WeakPolarHBondContact O-CE 3.48Å; V186-M276 VanDerWaalsContact O-SD 3.36Å; F187-M276 WeakPolarHBondContact CA-SD 3.16Å; F187-M276 HydrophobicContact CB-SD 4.12Å; F187-M276 HydrophobicContact CD1-SD 3.97Å; F187-M276 HydrophobicContact CG-SD 4.46Å; F187-M276 WeakPolarHBondContact O-CE 3.16Å; D188-M276 HydrophobicContact CB-CE 3.5Å; D188-M276 VanDerWaalsContact CB-CE 3.5Å; N246-M276 PolarHBondContact O-N 3.04Å; Q247-M276 WeakPolarHBondContact CA-O 3.43Å; Q247-M276 HydrophobicContact CB-CB 4.41Å; Q247-M276 HydrophobicContact CG-CB 3.99Å; F248-M276 PolarHBondContact N-O 3.22Å; M276-V304 HydrophobicContact CG-CG2 4.47Å; M276-V304 HydrophobicContact SD-CG1 4.05Å; M276-V304 HydrophobicContact SD-CG2 3.89Å; M276-P321 HydrophobicContact CE-CB 4.45Å; M276-P321 HydrophobicContact CE-CG 3.44Å; M276-P321 VanDerWaalsContact CE-CG 3.44Å
277L97.6Very high95.3Very high0 Ų057.7 Ų57.70%030%0.299CS..EExtended strand (participates in β ladder)trans-115.7134.2172.8-59.9-178.9000109.5F248 L274 F292 V296 C301 P302 L303 V304F248-L277 HydrophobicContact CB-CD2 4.08Å; F248-L277 CarbonylContact O-C 3.41Å; L274-L277 HydrophobicContact CD1-CD2 4.09Å; L277-F292 HydrophobicContact CB-CD1 4.2Å; L277-F292 HydrophobicContact CB-CE1 3.61Å; L277-F292 HydrophobicContact CB-CE2 4.45Å; L277-F292 HydrophobicContact CB-CZ 3.74Å; L277-F292 HydrophobicContact CD1-CD1 4.22Å; L277-F292 HydrophobicContact CD1-CD2 3.96Å; L277-F292 HydrophobicContact CD1-CE1 4.21Å; L277-F292 HydrophobicContact CD1-CE2 3.92Å; L277-F292 HydrophobicContact CD1-CG 4.09Å; L277-F292 HydrophobicContact CD1-CZ 4.04Å; L277-F292 WeakPolarHBondContact CD1-O 3.49Å; L277-F292 HydrophobicContact CD2-CE1 4.49Å; L277-F292 HydrophobicContact CD2-CE2 3.88Å; L277-F292 HydrophobicContact CD2-CZ 3.75Å; L277-F292 HydrophobicContact CG-CE1 4.32Å; L277-F292 HydrophobicContact CG-CE2 4.31Å; L277-F292 HydrophobicContact CG-CZ 4.05Å; L277-V296 HydrophobicContact CD1-CB 4.37Å; L277-V296 HydrophobicContact CD1-CG1 4.29Å; L277-V296 HydrophobicContact CD2-CG1 4.11Å; L277-C301 HydrophobicContact CD1-CB 4.23Å; L277-C301 HydrophobicContact CG-CB 3.89Å; L277-P302 PolarHBondContact N-O 3.24Å; L277-L303 HydrophobicContact CB-CD1 3.65Å; L277-L303 CarbonylContact O-C 3.37Å; L277-L303 WeakPolarHBondContact O-CA 3.34Å; L277-L303 WeakPolarHBondContact O-CD1 3.37Å; L277-V304 PolarHBondContact O-N 3.01Å
278G96.8Very high95.2Very high0 Ų050.9 Ų50.90%027%0.274CS..EExtended strand (participates in β ladder)trans-128.5148.1-179.600000112.8F248 G250 V304F248-G278 PolarHBondContact O-N 3.23Å; G250-G278 PolarHBondContact N-O 3.06Å; G250-G278 VanDerWaalsContact N-O 3.12Å; G278-V304 CarbonylContact C-O 3.46Å; G278-V304 WeakPolarHBondContact CA-O 3.2Å
279L96.1Very high95.2Very high0 Ų048.7 Ų48.70%026%0.263CS..EExtended strand (participates in β ladder)trans-130147.4179.9-63.9168.3000112.3G250 P252 L255 I284 W289 F292 L303 V304 T306G250-L279 WeakPolarHBondContact O-CA 3.08Å; P252-L279 HydrophobicContact CG-CD2 4.32Å; L255-L279 HydrophobicContact CD1-CD2 3.3Å; L255-L279 HydrophobicContact CG-CD2 4.34Å; L279-I284 HydrophobicContact CD1-CB 4.27Å; L279-I284 HydrophobicContact CD1-CD1 3.25Å; L279-I284 HydrophobicContact CD1-CG1 4.3Å; L279-I284 HydrophobicContact CD1-CG2 4.08Å; L279-I284 HydrophobicContact CD2-CD1 4.19Å; L279-I284 HydrophobicContact CG-CD1 4.35Å; L279-W289 HydrophobicContact CD1-CE3 3.77Å; L279-W289 HydrophobicContact CD1-CZ3 3.65Å; L279-F292 HydrophobicContact CD1-CD1 4.21Å; L279-F292 HydrophobicContact CD2-CD1 3.92Å; L279-F292 HydrophobicContact CD2-CE1 3.69Å; L279-F292 HydrophobicContact CG-CD1 4.17Å; L279-F292 HydrophobicContact CG-CE1 4.01Å; L279-L303 HydrophobicContact CD1-CD1 3.8Å; L279-L303 HydrophobicContact CD1-CD2 4.33Å; L279-L303 HydrophobicContact CD1-CG 4.33Å; L279-L303 HydrophobicContact CG-CD1 4Å; L279-V304 PolarHBondContact N-O 2.94Å; L279-T306 WeakPolarHBondContact O-CB 3.25Å; L279-T306 PolarHBondContact O-N 3.31Å; L279-T306 PolarHBondContact O-OG1 3.38Å
280V96.7Very high95.1Very high10 Ų1051.7 Ų51.76%0.06128%0.278CS..EExtended strand (participates in β ladder)trans-153.2151.1-179.158.10000113.7T205 Y249 G250 P252 E282 W308T205-V280 HydrophobicContact CG2-CG1 3.89Å; Y249-V280 HydrophobicContact CD2-CG1 4.24Å; Y249-V280 HydrophobicContact CE1-CG1 4.19Å; Y249-V280 HydrophobicContact CE2-CB 3.54Å; Y249-V280 HydrophobicContact CE2-CG1 3.57Å; Y249-V280 VanDerWaalsContact OH-CB 3.25Å; Y249-V280 WeakPolarHBondContact OH-CB 3.31Å; Y249-V280 WeakPolarHBondContact OH-CG2 3.4Å; G250-V280 PolarHBondContact O-N 3.26Å; P252-V280 WeakPolarHBondContact CD-O 3.44Å; V280-E282 PolarHBondContact O-N 3.4Å; V280-W308 HydrophobicContact CG2-CZ2 4.06Å
281G92.4Very high95.1Very high66 Ų6648.7 Ų48.768%0.6826%0.261SS*.SBendtrans99.6-31.2157.700000114.2
282E92.6Very high95.2Very high105 Ų10547.8 Ų47.849%0.49126%0.257SS..SBendtrans-140.6154.2-178.1-64.6178.6-150.700110.7P252 T253 V280 I284P252-E282 WeakPolarHBondContact CG-O 3.37Å; T253-E282 PolarHBondContact OG1-OE1 3.17Å; T253-E282 PolarHBondContact OG1-OE2 2.95Å; V280-E282 PolarHBondContact O-N 3.4Å; E282-I284 PolarHBondContact O-N 2.76Å
283P92.4Very high95.1Very high125 Ų12547.4 Ų47.481%0.81225%0.248SC*.PPolyproline II helixtrans-61.1128.6170.6-21.333.1000111
284I93.1Very high95Very high30 Ų3049.9 Ų49.915%0.15427%0.265CS..PPolyproline II helixtrans-87.9142.6172.2-172.5162.6000110.9P252 L279 E282 A288 W289P252-I284 HydrophobicContact CB-CB 4.1Å; P252-I284 HydrophobicContact CB-CD1 4.5Å; P252-I284 HydrophobicContact CB-CG1 4.27Å; P252-I284 HydrophobicContact CG-CB 3.98Å; L279-I284 HydrophobicContact CD1-CB 4.27Å; L279-I284 HydrophobicContact CD1-CD1 3.25Å; L279-I284 HydrophobicContact CD1-CG1 4.3Å; L279-I284 HydrophobicContact CD1-CG2 4.08Å; L279-I284 HydrophobicContact CD2-CD1 4.19Å; L279-I284 HydrophobicContact CG-CD1 4.35Å; E282-I284 PolarHBondContact O-N 2.76Å; I284-A288 HydrophobicContact CD1-CB 4Å; I284-A288 HydrophobicContact CG1-CB 4.03Å; I284-W289 HydrophobicContact CB-CE3 4.5Å; I284-W289 HydrophobicContact CD1-CB 4.32Å; I284-W289 HydrophobicContact CD1-CE3 4.18Å; I284-W289 HydrophobicContact CG1-CB 4.4Å; I284-W289 HydrophobicContact CG2-CD2 4.45Å; I284-W289 HydrophobicContact CG2-CE3 3.38Å; I284-W289 HydrophobicContact CG2-CZ3 3.81Å
285N91.9Very high94.9Very high43 Ų4351 Ų5123%0.2327%0.272CS..PPolyproline II helixtrans-87.3162.4176.182.389.7000111.1W256 E287 A288 W289W256-N285 HydrophobicContact CZ2-CB 4.05Å; W256-N285 WeakPolarHBondContact CZ2-ND2 3.12Å; W256-N285 PolarHBondContact NE1-ND2 3.39Å; N285-E287 PolarHBondContact O-N 2.93Å; N285-E287 WeakPolarHBondContact OD1-CA 3.41Å; N285-E287 WeakPolarHBondContact OD1-CB 3.38Å; N285-E287 PolarHBondContact OD1-N 3.26Å; N285-A288 WeakPolarHBondContact ND2-CB 3.27Å; N285-A288 PolarHBondContact ND2-N 2.66Å; N285-A288 PolarHBondContact O-N 3.16Å; N285-A288 PolarHBondContact OD1-N 3.49Å; N285-A288 VanDerWaalsContact OD1-N 3.11Å; N285-W289 WeakPolarHBondContact O-CB 3.41Å; N285-W289 PolarHBondContact O-N 3.28Å
286H92.9Very high95Very high153 Ų15348 Ų4871%0.70826%0.261SS*.Hα-helixtrans-59.6-40.4-178.3-71.2-74.7000114.8W289 H290H286-W289 PolarHBondContact O-N 3.28Å; H286-H290 WeakPolarHBondContact O-CB 3.31Å; H286-H290 PolarHBondContact O-CD2 3.04Å; H286-H290 PolarHBondContact O-N 3.1Å
287E94.1Very high94.9Very high117 Ų11747.8 Ų47.855%0.54726%0.26SS..Hα-helixtrans-63.9-49.5-179.8-172.2-175.1-177.500111.1L259 N285 W289 H290 W291L259-E287 HydrophobicContact CD2-CG 4.07Å; N285-E287 PolarHBondContact O-N 2.93Å; N285-E287 WeakPolarHBondContact OD1-CA 3.41Å; N285-E287 WeakPolarHBondContact OD1-CB 3.38Å; N285-E287 PolarHBondContact OD1-N 3.26Å; E287-W289 VanDerWaalsContact C-N 3.33Å; E287-W289 PolarHBondContact O-N 3.36Å; E287-H290 PolarHBondContact O-N 2.94Å; E287-W291 WeakPolarHBondContact O-CB 3.3Å; E287-W291 PolarHBondContact O-N 2.75Å
288A94Very high94.8Very high0 Ų052.9 Ų52.90%028%0.283CS..Hα-helixtrans-67.8-34.5177.900000112.1L259 I284 N285 F292L259-A288 HydrophobicContact CD2-CB 4.42Å; I284-A288 HydrophobicContact CD1-CB 4Å; I284-A288 HydrophobicContact CG1-CB 4.03Å; N285-A288 WeakPolarHBondContact ND2-CB 3.27Å; N285-A288 PolarHBondContact ND2-N 2.66Å; N285-A288 PolarHBondContact O-N 3.16Å; N285-A288 PolarHBondContact OD1-N 3.49Å; N285-A288 VanDerWaalsContact OD1-N 3.11Å; A288-F292 WeakPolarHBondContact O-CB 2.91Å; A288-F292 PolarHBondContact O-N 3.09Å
289W95Very high94.7Very high71 Ų7155.1 Ų55.127%0.26931%0.306SS..Hα-helixtrans-60.6-51.5174.1-175.4-88.5000111.6L279 I284 N285 H286 E287 F292 H293 L303 D305L279-W289 HydrophobicContact CD1-CE3 3.77Å; L279-W289 HydrophobicContact CD1-CZ3 3.65Å; I284-W289 HydrophobicContact CB-CE3 4.5Å; I284-W289 HydrophobicContact CD1-CB 4.32Å; I284-W289 HydrophobicContact CD1-CE3 4.18Å; I284-W289 HydrophobicContact CG1-CB 4.4Å; I284-W289 HydrophobicContact CG2-CD2 4.45Å; I284-W289 HydrophobicContact CG2-CE3 3.38Å; I284-W289 HydrophobicContact CG2-CZ3 3.81Å; N285-W289 WeakPolarHBondContact O-CB 3.41Å; N285-W289 PolarHBondContact O-N 3.28Å; H286-W289 PolarHBondContact O-N 3.28Å; E287-W289 VanDerWaalsContact C-N 3.33Å; E287-W289 PolarHBondContact O-N 3.36Å; W289-F292 PolarHBondContact O-N 2.68Å; W289-H293 WeakPolarHBondContact O-CB 3.39Å; W289-H293 PolarHBondContact O-N 2.83Å; W289-L303 HydrophobicContact CD2-CD2 3.44Å; W289-L303 VanDerWaalsContact CD2-CD2 3.44Å; W289-L303 HydrophobicContact CD2-CG 4.27Å; W289-L303 VanDerWaalsContact CE2-CD2 3.49Å; W289-L303 HydrophobicContact CE3-CD2 3.56Å; W289-L303 HydrophobicContact CE3-CG 4.11Å; W289-L303 HydrophobicContact CG-CD2 4.02Å; W289-L303 HydrophobicContact CH2-CB 4.37Å; W289-L303 HydrophobicContact CH2-CD2 3.9Å; W289-L303 HydrophobicContact CH2-CG 3.62Å; W289-L303 HydrophobicContact CZ2-CB 4.15Å; W289-L303 HydrophobicContact CZ2-CD2 3.74Å; W289-L303 HydrophobicContact CZ2-CG 3.73Å; W289-L303 HydrophobicContact CZ3-CD2 3.81Å; W289-L303 HydrophobicContact CZ3-CG 3.81Å; W289-D305 HydrophobicContact CH2-CB 3.83Å; W289-D305 HydrophobicContact CZ3-CB 3.71Å
290H95.3Very high94.7Very high110 Ų11060.1 Ų60.151%0.50933%0.325SS..Hα-helixtrans-64.2-42.5179.1-75.9-55.5000111.9H286 E287 F292 H293 S294H286-H290 WeakPolarHBondContact O-CB 3.31Å; H286-H290 PolarHBondContact O-CD2 3.04Å; H286-H290 PolarHBondContact O-N 3.1Å; E287-H290 PolarHBondContact O-N 2.94Å; H290-F292 PolarHBondContact O-N 2.73Å; H290-H293 PolarHBondContact O-N 3.2Å; H290-S294 WeakPolarHBondContact O-CB 3.39Å; H290-S294 PolarHBondContact O-N 3.25Å; H290-S294 PolarHBondContact O-OG 3.35Å
291W96.5Very high94.6Very high18 Ų1859.8 Ų59.87%0.06832%0.323CS..Hα-helixtrans-60.6-46.5175.6178.883.6000112W237 L255 L258 L259 D263 V266 E287 H293 S294 V295 V296W237-W291 AromaticContact CZ2-CH2 3.91Å; W237-W291 HydrophobicContact CZ2-CH2 3.91Å; W237-W291 HydrophobicContact CZ2-CZ3 4.46Å; L255-W291 HydrophobicContact CD2-CZ3 4.41Å; L258-W291 HydrophobicContact CB-CH2 4.08Å; L259-W291 HydrophobicContact CB-CD2 4.25Å; L259-W291 HydrophobicContact CB-CE3 4.35Å; L259-W291 HydrophobicContact CD1-CB 3.85Å; L259-W291 HydrophobicContact CD1-CD2 3.82Å; L259-W291 HydrophobicContact CD1-CG 3.41Å; L259-W291 VanDerWaalsContact CD1-CG 3.41Å; L259-W291 HydrophobicContact CG-CG 4.5Å; D263-W291 PolarHBondContact OD1-NE1 2.87Å; V266-W291 HydrophobicContact CG2-CH2 4.11Å; V266-W291 HydrophobicContact CG2-CZ2 3.7Å; E287-W291 WeakPolarHBondContact O-CB 3.3Å; E287-W291 PolarHBondContact O-N 2.75Å; W291-H293 PolarHBondContact O-N 3.08Å; W291-S294 PolarHBondContact O-N 3.18Å; W291-V295 HydrophobicContact CG-CB 4.35Å; W291-V295 HydrophobicContact CG-CG2 4.24Å; W291-V295 WeakPolarHBondContact O-CA 3.48Å; W291-V295 VanDerWaalsContact O-CB 3.28Å; W291-V295 WeakPolarHBondContact O-CB 3.33Å; W291-V295 PolarHBondContact O-N 3.49Å; W291-V296 HydrophobicContact CE3-CG2 4.31Å; W291-V296 HydrophobicContact CH2-CG2 3.84Å; W291-V296 HydrophobicContact CZ2-CG2 4.23Å; W291-V296 HydrophobicContact CZ3-CG2 3.87Å; W291-V296 PolarHBondContact O-N 3.21Å
292F96.4Very high94.7Very high0 Ų059.2 Ų59.20%031%0.307CS..Iπ-helixtrans-66.7-40.4-177.4-165.7-144.5000111.6W237 F248 L255 L277 L279 A288 W289 H290 V296 G297 L303W237-F292 HydrophobicContact CH2-CE2 4.18Å; F248-F292 HydrophobicContact CD1-CE2 4.26Å; F248-F292 AromaticContact CD1-CZ 3.67Å; F248-F292 HydrophobicContact CD1-CZ 3.67Å; F248-F292 HydrophobicContact CE1-CE2 4.42Å; F248-F292 HydrophobicContact CE1-CZ 4Å; L255-F292 HydrophobicContact CD1-CB 4.09Å; L255-F292 HydrophobicContact CD1-CD1 3.36Å; L255-F292 HydrophobicContact CD1-CD2 3.76Å; L255-F292 HydrophobicContact CD1-CE1 3.55Å; L255-F292 HydrophobicContact CD1-CE2 3.94Å; L255-F292 HydrophobicContact CD1-CG 3.49Å; L255-F292 VanDerWaalsContact CD1-CG 3.49Å; L255-F292 HydrophobicContact CD1-CZ 3.85Å; L255-F292 HydrophobicContact CD2-CD2 4.04Å; L255-F292 HydrophobicContact CD2-CE2 3.83Å; L255-F292 HydrophobicContact CD2-CZ 4.18Å; L277-F292 HydrophobicContact CB-CD1 4.2Å; L277-F292 HydrophobicContact CB-CE1 3.61Å; L277-F292 HydrophobicContact CB-CE2 4.45Å; L277-F292 HydrophobicContact CB-CZ 3.74Å; L277-F292 HydrophobicContact CD1-CD1 4.22Å; L277-F292 HydrophobicContact CD1-CD2 3.96Å; L277-F292 HydrophobicContact CD1-CE1 4.21Å; L277-F292 HydrophobicContact CD1-CE2 3.92Å; L277-F292 HydrophobicContact CD1-CG 4.09Å; L277-F292 HydrophobicContact CD1-CZ 4.04Å; L277-F292 WeakPolarHBondContact CD1-O 3.49Å; L277-F292 HydrophobicContact CD2-CE1 4.49Å; L277-F292 HydrophobicContact CD2-CE2 3.88Å; L277-F292 HydrophobicContact CD2-CZ 3.75Å; L277-F292 HydrophobicContact CG-CE1 4.32Å; L277-F292 HydrophobicContact CG-CE2 4.31Å; L277-F292 HydrophobicContact CG-CZ 4.05Å; L279-F292 HydrophobicContact CD1-CD1 4.21Å; L279-F292 HydrophobicContact CD2-CD1 3.92Å; L279-F292 HydrophobicContact CD2-CE1 3.69Å; L279-F292 HydrophobicContact CG-CD1 4.17Å; L279-F292 HydrophobicContact CG-CE1 4.01Å; A288-F292 WeakPolarHBondContact O-CB 2.91Å; A288-F292 PolarHBondContact O-N 3.09Å; W289-F292 PolarHBondContact O-N 2.68Å; H290-F292 PolarHBondContact O-N 2.73Å; F292-V296 HydrophobicContact CD2-CB 3.73Å; F292-V296 HydrophobicContact CD2-CG1 4.04Å; F292-V296 HydrophobicContact CD2-CG2 3.83Å; F292-V296 HydrophobicContact CE2-CB 4.09Å; F292-V296 HydrophobicContact CE2-CG1 3.86Å; F292-V296 HydrophobicContact CE2-CG2 4.33Å; F292-V296 WeakPolarHBondContact O-CB 3.23Å; F292-V296 PolarHBondContact O-N 3.41Å; F292-G297 PolarHBondContact O-N 3.36Å; F292-L303 HydrophobicContact CB-CD2 4.48Å; F292-L303 HydrophobicContact CD1-CD1 3.4Å; F292-L303 HydrophobicContact CD1-CD2 4.13Å; F292-L303 HydrophobicContact CD1-CG 4.44Å; F292-L303 HydrophobicContact CE1-CD1 3.61Å
293H95.8Very high94.9Very high61 Ų6155 Ų5528%0.28229%0.288SS..Iπ-helixtrans-70.5-44.2175.1178.6-99.9000113.3W289 H290 W291 G297 E298 G299 L303W289-H293 WeakPolarHBondContact O-CB 3.39Å; W289-H293 PolarHBondContact O-N 2.83Å; H290-H293 PolarHBondContact O-N 3.2Å; W291-H293 PolarHBondContact O-N 3.08Å; H293-G297 CarbonylContact O-C 3.56Å; H293-G297 WeakPolarHBondContact O-CA 3.22Å; H293-G297 PolarHBondContact O-N 3.3Å; H293-E298 PolarHBondContact O-N 3.31Å; H293-G299 PolarHBondContact O-N 3.03Å; H293-L303 HydrophobicContact CB-CD2 4.12Å
294S95.7Very high95Very high71 Ų7149.2 Ų49.250%0.49725%0.25SS..Iπ-helixtrans-88.5-36.5-170.9-66.60000114.5H290 W291 E298H290-S294 WeakPolarHBondContact O-CB 3.39Å; H290-S294 PolarHBondContact O-N 3.25Å; H290-S294 PolarHBondContact O-OG 3.35Å; W291-S294 PolarHBondContact O-N 3.18Å; S294-E298 WeakPolarHBondContact O-CA 3.16Å
295V96Very high95.1Very high24 Ų2450.5 Ų50.515%0.14526%0.258CS..Iπ-helixtrans-91.5-53.3-178.3-1800000110.4D263 V266 W291D263-V295 HydrophobicContact CB-CG1 3.93Å; V266-V295 HydrophobicContact CB-CG1 4.48Å; V266-V295 HydrophobicContact CG2-CG1 4.39Å; W291-V295 HydrophobicContact CG-CB 4.35Å; W291-V295 HydrophobicContact CG-CG2 4.24Å; W291-V295 WeakPolarHBondContact O-CA 3.48Å; W291-V295 VanDerWaalsContact O-CB 3.28Å; W291-V295 WeakPolarHBondContact O-CB 3.33Å; W291-V295 PolarHBondContact O-N 3.49Å
296V96.6Very high95.3Very high0 Ų048.6 Ų48.60%025%0.247CC..Iπ-helixtrans-79-46.4-179.6-177.60000110.6W237 V266 W271 L274 L277 W291 F292 E298W237-V296 HydrophobicContact CE3-CG1 4.15Å; W237-V296 HydrophobicContact CH2-CB 4.4Å; W237-V296 HydrophobicContact CH2-CG1 3.79Å; W237-V296 HydrophobicContact CH2-CG2 3.72Å; W237-V296 HydrophobicContact CZ2-CG2 3.98Å; W237-V296 HydrophobicContact CZ3-CB 4.5Å; W237-V296 HydrophobicContact CZ3-CG1 3.47Å; W237-V296 VanDerWaalsContact CZ3-CG1 3.47Å; W237-V296 HydrophobicContact CZ3-CG2 4.21Å; V266-V296 HydrophobicContact CG1-CG2 4.14Å; V266-V296 HydrophobicContact CG2-CG2 4.11Å; W271-V296 PolarHBondContact NE1-O 3.07Å; L274-V296 HydrophobicContact CD1-CG1 4.21Å; L277-V296 HydrophobicContact CD1-CB 4.37Å; L277-V296 HydrophobicContact CD1-CG1 4.29Å; L277-V296 HydrophobicContact CD2-CG1 4.11Å; W291-V296 HydrophobicContact CE3-CG2 4.31Å; W291-V296 HydrophobicContact CH2-CG2 3.84Å; W291-V296 HydrophobicContact CZ2-CG2 4.23Å; W291-V296 HydrophobicContact CZ3-CG2 3.87Å; W291-V296 PolarHBondContact O-N 3.21Å; F292-V296 HydrophobicContact CD2-CB 3.73Å; F292-V296 HydrophobicContact CD2-CG1 4.04Å; F292-V296 HydrophobicContact CD2-CG2 3.83Å; F292-V296 HydrophobicContact CE2-CB 4.09Å; F292-V296 HydrophobicContact CE2-CG1 3.86Å; F292-V296 HydrophobicContact CE2-CG2 4.33Å; F292-V296 WeakPolarHBondContact O-CB 3.23Å; F292-V296 PolarHBondContact O-N 3.41Å; V296-E298 VanDerWaalsContact C-N 3.31Å; V296-E298 PolarHBondContact O-N 3.05Å
297G95.8Very high95.5Very high0 Ų047.8 Ų47.80%024%0.238CC..SBendtrans-81.2-8.4-178.600000114.5F292 H293 G299 R300 C301F292-G297 PolarHBondContact O-N 3.36Å; H293-G297 CarbonylContact O-C 3.56Å; H293-G297 WeakPolarHBondContact O-CA 3.22Å; H293-G297 PolarHBondContact O-N 3.3Å; G297-G299 PolarHBondContact O-N 2.82Å; G297-R300 WeakPolarHBondContact O-CG 3.41Å; G297-R300 PolarHBondContact O-N 3.08Å; G297-C301 PolarHBondContact O-N 3.3Å
298E95.4Very high95.5Very high107 Ų10743.2 Ų43.250%0.522%0.216SC..THydrogen-bonded Turntrans46.824.9-174.5-58.5-178.5141.200114.6W271 H293 S294 V296 R300W271-E298 HydrophobicContact CZ2-CG 4.31Å; H293-E298 PolarHBondContact O-N 3.31Å; S294-E298 WeakPolarHBondContact O-CA 3.16Å; V296-E298 VanDerWaalsContact C-N 3.31Å; V296-E298 PolarHBondContact O-N 3.05Å; E298-R300 HydrophobicContact CB-CG 4.01Å; E298-R300 PolarHBondContact O-N 3.47Å; E298-R300 VanDerWaalsContact O-N 3.11Å; E298-R300 IonicContact OE2-NE 3.72Å; E298-R300 PolarHBondContact OE2-NE 2.83Å; E298-R300 VanDerWaalsContact OE2-NE 3.07Å
299G94.4Very high95.3Very high46 Ų4648.2 Ų48.247%0.47424%0.239SC..THydrogen-bonded Turntrans65.33-171.100000115.5H293 G297H293-G299 PolarHBondContact O-N 3.03Å; G297-G299 PolarHBondContact O-N 2.82Å
300R94.6Very high94.7Very high106 Ų10645.6 Ų45.640%0.423%0.231SC..THydrogen-bonded Turntrans-96.6-28.2178.958-177.9-161.979.38.6112.9W271 S272 L274 G297 E298W271-R300 PolarHBondContact O-NH2 3.36Å; S272-R300 PolarHBondContact O-NH1 3.06Å; S272-R300 PolarHBondContact O-NH2 3.47Å; L274-R300 VanDerWaalsContact O-CZ 3.25Å; L274-R300 PolarHBondContact O-NH1 3.16Å; L274-R300 PolarHBondContact O-NH2 3.37Å; G297-R300 WeakPolarHBondContact O-CG 3.41Å; G297-R300 PolarHBondContact O-N 3.08Å; E298-R300 HydrophobicContact CB-CG 4.01Å; E298-R300 PolarHBondContact O-N 3.47Å; E298-R300 VanDerWaalsContact O-N 3.11Å; E298-R300 IonicContact OE2-NE 3.72Å; E298-R300 PolarHBondContact OE2-NE 2.83Å; E298-R300 VanDerWaalsContact OE2-NE 3.07Å
301C95.8Very high94.1Very high2 Ų245.1 Ų45.11%0.01423%0.229CC..SBendtrans-90123178.5-58.90000110.7L274 R275 L277 G297 L303L274-C301 PolarHBondContact O-SG 3.44Å; L274-C301 VanDerWaalsContact O-SG 3.41Å; R275-C301 WeakPolarHBondContact O-CA 3.17Å; L277-C301 HydrophobicContact CD1-CB 4.23Å; L277-C301 HydrophobicContact CG-CB 3.89Å; G297-C301 PolarHBondContact O-N 3.3Å; C301-L303 PolarHBondContact O-N 2.98Å
302P95.3Very high93.5Very high55 Ų5545.6 Ų45.636%0.35723%0.234SC..  trans-57139.8166.2-23.235.9000110.3R275 L277 P321R275-P302 WeakPolarHBondContact O-CD 3.29Å; L277-P302 PolarHBondContact N-O 3.24Å; P302-P321 HydrophobicContact CB-CB 4.17Å; P302-P321 HydrophobicContact CG-CB 4.24Å
303L94.8Very high92.8Very high17 Ų1745.6 Ų45.69%0.08923%0.234CC..EExtended strand (participates in β ladder)trans-108.4115.8177.1179.355.2000109.6L277 L279 W289 F292 H293 C301L277-L303 HydrophobicContact CB-CD1 3.65Å; L277-L303 CarbonylContact O-C 3.37Å; L277-L303 WeakPolarHBondContact O-CA 3.34Å; L277-L303 WeakPolarHBondContact O-CD1 3.37Å; L279-L303 HydrophobicContact CD1-CD1 3.8Å; L279-L303 HydrophobicContact CD1-CD2 4.33Å; L279-L303 HydrophobicContact CD1-CG 4.33Å; L279-L303 HydrophobicContact CG-CD1 4Å; W289-L303 HydrophobicContact CD2-CD2 3.44Å; W289-L303 VanDerWaalsContact CD2-CD2 3.44Å; W289-L303 HydrophobicContact CD2-CG 4.27Å; W289-L303 VanDerWaalsContact CE2-CD2 3.49Å; W289-L303 HydrophobicContact CE3-CD2 3.56Å; W289-L303 HydrophobicContact CE3-CG 4.11Å; W289-L303 HydrophobicContact CG-CD2 4.02Å; W289-L303 HydrophobicContact CH2-CB 4.37Å; W289-L303 HydrophobicContact CH2-CD2 3.9Å; W289-L303 HydrophobicContact CH2-CG 3.62Å; W289-L303 HydrophobicContact CZ2-CB 4.15Å; W289-L303 HydrophobicContact CZ2-CD2 3.74Å; W289-L303 HydrophobicContact CZ2-CG 3.73Å; W289-L303 HydrophobicContact CZ3-CD2 3.81Å; W289-L303 HydrophobicContact CZ3-CG 3.81Å; F292-L303 HydrophobicContact CB-CD2 4.48Å; F292-L303 HydrophobicContact CD1-CD1 3.4Å; F292-L303 HydrophobicContact CD1-CD2 4.13Å; F292-L303 HydrophobicContact CD1-CG 4.44Å; F292-L303 HydrophobicContact CE1-CD1 3.61Å; H293-L303 HydrophobicContact CB-CD2 4.12Å; C301-L303 PolarHBondContact O-N 2.98Å
304V95.3Very high92.4Very high2 Ų245.5 Ų45.51%0.01223%0.231CC..EExtended strand (participates in β ladder)trans-104117.7179.7-59.30000111.2V186 F187 M276 L277 G278 L279 T306 P319 P321V186-V304 HydrophobicContact CG1-CB 4.44Å; V186-V304 HydrophobicContact CG1-CG2 4.21Å; F187-V304 HydrophobicContact CD1-CG2 4.29Å; F187-V304 HydrophobicContact CE1-CG2 4.12Å; M276-V304 HydrophobicContact CG-CG2 4.47Å; M276-V304 HydrophobicContact SD-CG1 4.05Å; M276-V304 HydrophobicContact SD-CG2 3.89Å; L277-V304 PolarHBondContact O-N 3.01Å; G278-V304 CarbonylContact C-O 3.46Å; G278-V304 WeakPolarHBondContact CA-O 3.2Å; L279-V304 PolarHBondContact N-O 2.94Å; V304-T306 HydrophobicContact CG2-CG2 4.18Å; V304-P319 HydrophobicContact CB-CG 4.23Å; V304-P319 HydrophobicContact CG1-CG 4.29Å; V304-P321 HydrophobicContact CG1-CG 4.2Å
305D95.7Very high92.4Very high58 Ų5842.3 Ų42.331%0.3121%0.209SC..EExtended strand (participates in β ladder)trans-89118.2168-164.72.1000109.2W289 A318 P319W289-D305 HydrophobicContact CH2-CB 3.83Å; W289-D305 HydrophobicContact CZ3-CB 3.71Å; D305-A318 WeakPolarHBondContact O-CA 3.35Å; D305-P319 WeakPolarHBondContact O-CD 3.13Å
306T96.6Very high92.3Very high2 Ų243.4 Ų43.41%0.01222%0.217CC..EExtended strand (participates in β ladder)trans-108.3112.8-174.971.30000110.8V186 F187 Y249 L279 V304 W308 V315 A318V186-T306 HydrophobicContact CG1-CG2 3.82Å; F187-T306 HydrophobicContact CZ-CG2 4.28Å; Y249-T306 HydrophobicContact CE2-CG2 4.3Å; Y249-T306 PolarHBondContact OH-OG1 3.18Å; L279-T306 WeakPolarHBondContact O-CB 3.25Å; L279-T306 PolarHBondContact O-N 3.31Å; L279-T306 PolarHBondContact O-OG1 3.38Å; V304-T306 HydrophobicContact CG2-CG2 4.18Å; T306-W308 PolarHBondContact OG1-NE1 2.85Å; T306-V315 HydrophobicContact CG2-CG1 4.25Å; T306-V315 HydrophobicContact CG2-CG2 4Å; T306-A318 HydrophobicContact CG2-CB 4Å
307W96.1Very high92.3Very high137 Ų13748.7 Ų48.752%0.51924%0.244SC..BIsolated β-bridgetrans-97.8126.7175.5-17888.8000111.2C316 I317W307-C316 HydrophobicContact CE3-CB 3.88Å; W307-C316 HydrophobicContact CZ3-CB 3.86Å; W307-C316 PolarHBondContact O-N 3.46Å; W307-I317 HydrophobicContact CB-CB 4.29Å; W307-I317 HydrophobicContact CD2-CD1 4.44Å; W307-I317 HydrophobicContact CE3-CB 4.35Å; W307-I317 HydrophobicContact CE3-CD1 3.72Å; W307-I317 HydrophobicContact CE3-CG1 3.92Å; W307-I317 HydrophobicContact CZ3-CD1 4.15Å; W307-I317 HydrophobicContact CZ3-CG1 4.48Å; W307-I317 PolarHBondContact N-O 3.06Å; W307-I317 PolarHBondContact O-N 2.8Å
308W94.7Very high92.2Very high21 Ų2150.3 Ų50.38%0.0826%0.257CS..  trans-174.1175.8177.356.5-64.5000112I204 T205 Y209 Y249 V280 T306 G313 R314 V315 C316I204-W308 HydrophobicContact CB-CH2 4.42Å; I204-W308 HydrophobicContact CB-CZ3 4.2Å; I204-W308 HydrophobicContact CG1-CH2 4.13Å; I204-W308 HydrophobicContact CG1-CZ3 3.61Å; I204-W308 HydrophobicContact CG2-CE3 4.35Å; I204-W308 HydrophobicContact CG2-CH2 3.84Å; I204-W308 HydrophobicContact CG2-CZ3 3.65Å; T205-W308 HydrophobicContact CG2-CZ2 4.16Å; Y209-W308 AromaticContact CD2-CH2 3.7Å; Y209-W308 HydrophobicContact CD2-CH2 3.7Å; Y209-W308 AromaticContact CD2-CZ2 3.51Å; Y209-W308 HydrophobicContact CD2-CZ2 3.51Å; Y209-W308 AromaticContact CE2-CE2 3.88Å; Y209-W308 AromaticContact CE2-CH2 3.48Å; Y209-W308 HydrophobicContact CE2-CH2 3.48Å; Y209-W308 VanDerWaalsContact CE2-CH2 3.48Å; Y209-W308 AromaticContact CE2-CZ2 3.33Å; Y209-W308 HydrophobicContact CE2-CZ2 3.33Å; Y209-W308 HydrophobicContact CE2-CZ3 4.2Å; Y249-W308 PolarHBondContact OH-NE1 3.43Å; Y249-W308 VanDerWaalsContact OH-NE1 3.13Å; V280-W308 HydrophobicContact CG2-CZ2 4.06Å; T306-W308 PolarHBondContact OG1-NE1 2.85Å; W308-G313 VanDerWaalsContact CZ3-C 3.44Å; W308-G313 WeakPolarHBondContact CZ3-O 3.45Å; W308-R314 WeakPolarHBondContact CB-O 3.45Å; W308-R314 VanDerWaalsContact CD2-C 3.47Å; W308-R314 VanDerWaalsContact CZ3-N 3.34Å; W308-V315 HydrophobicContact CG-CG2 4.34Å; W308-C316 HydrophobicContact CB-CB 4.47Å
309Q90.6Very high91.9Very high105 Ų10548.2 Ų48.249%0.49125%0.253SS..  trans-137.6175.3-178.1-57.7-174.5-67.600111.1E311 T312 G313Q309-E311 VanDerWaalsContact C-N 3.33Å; Q309-E311 PolarHBondContact O-N 3.13Å; Q309-T312 HydrophobicContact CB-CG2 4.39Å; Q309-T312 PolarHBondContact N-OG1 2.84Å; Q309-T312 PolarHBondContact O-N 3.08Å; Q309-T312 PolarHBondContact O-OG1 3.26Å; Q309-G313 PolarHBondContact O-N 3.22Å
310T81.8Confident91.1Very high16 Ų1655.6 Ų55.610%0.09827%0.267CS..SBendtrans-68.3-38.3-179.3-56.60000112.2T160 I204 T312 G313T160-T310 WeakPolarHBondContact O-CG2 3.32Å; I204-T310 HydrophobicContact CB-CG2 3.85Å; I204-T310 HydrophobicContact CD1-CG2 4.44Å; I204-T310 HydrophobicContact CG1-CG2 4.15Å; I204-T310 HydrophobicContact CG2-CG2 4.3Å; T310-T312 PolarHBondContact O-N 2.72Å; T310-G313 WeakPolarHBondContact O-CA 3.46Å; T310-G313 PolarHBondContact O-N 3.35Å
311E82.4Confident89.8Confident100 Ų10051.7 Ų51.747%0.46726%0.255SS..THydrogen-bonded Turntrans-65.8-21.8177.2-61.280.9176.600112.1Q309Q309-E311 VanDerWaalsContact C-N 3.33Å; Q309-E311 PolarHBondContact O-N 3.13Å
312T84.8Confident87.7Confident28 Ų2860 Ų6017%0.17232%0.324CS..THydrogen-bonded Turntrans-91.6-9.4172.373.20000112.1Q309 T310 R314 C316Q309-T312 HydrophobicContact CB-CG2 4.39Å; Q309-T312 PolarHBondContact N-OG1 2.84Å; Q309-T312 PolarHBondContact O-N 3.08Å; Q309-T312 PolarHBondContact O-OG1 3.26Å; T310-T312 PolarHBondContact O-N 2.72Å; T312-R314 WeakPolarHBondContact O-CD 3.3Å; T312-R314 WeakPolarHBondContact O-CG 3.28Å; T312-R314 PolarHBondContact O-N 3.09Å; T312-R314 PolarHBondContact O-NE 2.86Å; T312-R314 PolarHBondContact O-NH1 2.81Å; T312-R314 PolarHBondContact OG1-O 3.11Å; T312-R314 VanDerWaalsContact OG1-O 3.1Å; T312-C316 WeakPolarHBondContact CB-SG 3.04Å; T312-C316 VanDerWaalsContact CG2-SG 3.6Å; T312-C316 PolarHBondContact OG1-SG 3.32Å
313G81.2Confident87.4Confident0 Ų060.3 Ų60.30%032%0.322CS..  trans62-13.6175.300000117.2E170 Y175 S208 W308 Q309 T310E170-G313 WeakPolarHBondContact OE1-CA 3.18Å; Y175-G313 WeakPolarHBondContact CE2-O 3.38Å; S208-G313 WeakPolarHBondContact CB-O 3.3Å; S208-G313 PolarHBondContact OG-O 2.73Å; W308-G313 VanDerWaalsContact CZ3-C 3.44Å; W308-G313 WeakPolarHBondContact CZ3-O 3.45Å; Q309-G313 PolarHBondContact O-N 3.22Å; T310-G313 WeakPolarHBondContact O-CA 3.46Å; T310-G313 PolarHBondContact O-N 3.35Å
314R87.7Confident87Confident58 Ų5862.5 Ų62.522%0.21933%0.334CS..SBendtrans-164167.2-168.162.6-119.3-173.4-117.3-8.1111.6E170 Y178 T179 W308 T312 C316E170-R314 IonicContact OE1-NH1 3.6Å; E170-R314 PolarHBondContact OE1-NH1 3.44Å; Y178-R314 HydrophobicContact CD1-CG 4.42Å; Y178-R314 HydrophobicContact CD2-CB 3.96Å; Y178-R314 HydrophobicContact CD2-CG 3.27Å; Y178-R314 VanDerWaalsContact CE1-NH2 3.29Å; Y178-R314 HydrophobicContact CE2-CB 4.39Å; Y178-R314 HydrophobicContact CE2-CG 3.47Å; Y178-R314 VanDerWaalsContact CE2-CG 3.47Å; Y178-R314 HydrophobicContact CG-CG 3.8Å; T179-R314 HydrophobicContact CG2-CB 4.26Å; W308-R314 WeakPolarHBondContact CB-O 3.45Å; W308-R314 VanDerWaalsContact CD2-C 3.47Å; W308-R314 VanDerWaalsContact CZ3-N 3.34Å; T312-R314 WeakPolarHBondContact O-CD 3.3Å; T312-R314 WeakPolarHBondContact O-CG 3.28Å; T312-R314 PolarHBondContact O-N 3.09Å; T312-R314 PolarHBondContact O-NE 2.86Å; T312-R314 PolarHBondContact O-NH1 2.81Å; T312-R314 PolarHBondContact OG1-O 3.11Å; T312-R314 VanDerWaalsContact OG1-O 3.1Å; R314-C316 PolarHBondContact O-N 3.37Å
315V95.2Very high86.5Confident4 Ų465.9 Ų65.92%0.02435%0.352CS..  trans-54.2126173.9177.60000111.3T182 V186 Y209 T306 W308 A318T182-V315 HydrophobicContact CG2-CB 4.22Å; V186-V315 HydrophobicContact CG2-CB 4.49Å; V186-V315 HydrophobicContact CG2-CG1 4.04Å; Y209-V315 HydrophobicContact CE2-CG2 3.85Å; Y209-V315 WeakPolarHBondContact OH-CG2 2.89Å; Y209-V315 PolarHBondContact OH-N 2.78Å; T306-V315 HydrophobicContact CG2-CG1 4.25Å; T306-V315 HydrophobicContact CG2-CG2 4Å; W308-V315 HydrophobicContact CG-CG2 4.34Å; V315-A318 HydrophobicContact CG1-CB 3.69Å
316C94.5Very high86Confident48 Ų4866.4 Ų66.432%0.32436%0.355SS..  trans-102.8-41.9177.6-70.70000112.1W307 W308 T312 R314W307-C316 HydrophobicContact CE3-CB 3.88Å; W307-C316 HydrophobicContact CZ3-CB 3.86Å; W307-C316 PolarHBondContact O-N 3.46Å; W308-C316 HydrophobicContact CB-CB 4.47Å; T312-C316 WeakPolarHBondContact CB-SG 3.04Å; T312-C316 VanDerWaalsContact CG2-SG 3.6Å; T312-C316 PolarHBondContact OG1-SG 3.32Å; R314-C316 PolarHBondContact O-N 3.37Å
317I96Very high85.3Confident110 Ų11070.4 Ų70.456%0.56438%0.376SS*.BIsolated β-bridgetrans-133.5124.1-179.1-53.3172.3000107.2W307W307-I317 HydrophobicContact CB-CB 4.29Å; W307-I317 HydrophobicContact CD2-CD1 4.44Å; W307-I317 HydrophobicContact CE3-CB 4.35Å; W307-I317 HydrophobicContact CE3-CD1 3.72Å; W307-I317 HydrophobicContact CE3-CG1 3.92Å; W307-I317 HydrophobicContact CZ3-CD1 4.15Å; W307-I317 HydrophobicContact CZ3-CG1 4.48Å; W307-I317 PolarHBondContact N-O 3.06Å; W307-I317 PolarHBondContact O-N 2.8Å
318A94.1Very high84.6Confident34 Ų3465.9 Ų65.928%0.28137%0.367SS..  trans-151.8149.1171.400000109.2V186 D305 T306 V315V186-A318 HydrophobicContact CG1-CB 3.63Å; V186-A318 HydrophobicContact CG2-CB 4.15Å; D305-A318 WeakPolarHBondContact O-CA 3.35Å; T306-A318 HydrophobicContact CG2-CB 4Å; V315-A318 HydrophobicContact CG1-CB 3.69Å
319P89.6Confident83.9Confident63 Ų6369.1 Ų69.141%0.40939%0.387SS..PPolyproline II helixtrans-65.6136.216829.9-32.4000108.6V304 D305V304-P319 HydrophobicContact CB-CG 4.23Å; V304-P319 HydrophobicContact CG1-CG 4.29Å; D305-P319 WeakPolarHBondContact O-CD 3.13Å
320R76Confident83.3Confident202 Ų20266.4 Ų66.476%0.76238%0.379SS*.PPolyproline II helixtrans-82.1130.4169.4-169.1-178.9174.2177.7-1.9108A322R320-A322 PolarHBondContact O-N 3.13Å
321P66.9Low83.5Confident24 Ų2470.6 Ų70.616%0.15640%0.403CS..PPolyproline II helixtrans-52.5135169-20.930.5000109.8D188 M276 P302 V304D188-P321 HydrophobicContact CB-CG 4.47Å; M276-P321 HydrophobicContact CE-CB 4.45Å; M276-P321 HydrophobicContact CE-CG 3.44Å; M276-P321 VanDerWaalsContact CE-CG 3.44Å; P302-P321 HydrophobicContact CB-CB 4.17Å; P302-P321 HydrophobicContact CG-CB 4.24Å; V304-P321 HydrophobicContact CG1-CG 4.2Å
322A53.5Low83.6Confident176 Ų17667.9 Ų67.9100%1.45540%0.397SS*.  trans-73.20-177.600000112.2R320R320-A322 PolarHBondContact O-N 3.13Å

Retrieved 322 of 322 residues in 163.1 ms (Link to these results)

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